Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1975 | 1ba6 RC | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 2H ASP 1 0.498 -15.597 11.177
2 2H ASP 1 1H ASP 1 2.094 -15.834 11.707
3 3H ASP 1 3H ASP 1 0.850 -15.575 12.835
4 HA ASP 1 HA ASP 1 1.166 -13.423 12.772
5 1HB ASP 1 2HB ASP 1 3.545 -13.995 12.306
6 2HB ASP 1 1HB ASP 1 3.206 -14.027 10.582
7 H ALA 2 H ALA 2 0.456 -11.591 11.786
8 HA ALA 2 HA ALA 2 -0.801 -10.251 10.376
9 1HB ALA 2 1HB ALA 2 1.092 -10.961 8.748
10 2HB ALA 2 3HB ALA 2 -0.039 -12.126 8.080
11 3HB ALA 2 2HB ALA 2 -0.398 -10.411 8.006
12 H GLU 3 H GLU 3 -2.273 -11.839 11.823
13 HA GLU 3 HA GLU 3 -4.158 -13.371 10.199
14 1HB GLU 3 2HB GLU 3 -3.663 -12.955 13.155
15 2HB GLU 3 1HB GLU 3 -5.234 -13.548 12.662
16 1HG GLU 3 2HG GLU 3 -3.775 -15.452 13.150
17 2HG GLU 3 1HG GLU 3 -4.169 -15.437 11.441
18 H PHE 4 H PHE 4 -4.007 -10.630 9.588
19 HA PHE 4 HA PHE 4 -5.983 -9.030 10.852
20 1HB PHE 4 2HB PHE 4 -5.766 -7.605 8.806
21 2HB PHE 4 1HB PHE 4 -4.208 -8.054 9.470
22 HD1 PHE 4 HD1 PHE 4 -6.589 -8.664 6.707
23 HD2 PHE 4 HD2 PHE 4 -2.721 -9.559 8.254
24 HE1 PHE 4 HE1 PHE 4 -5.951 -9.645 4.552
25 HE2 PHE 4 HE2 PHE 4 -2.088 -10.540 6.097
26 HZ PHE 4 HZ PHE 4 -3.701 -10.585 4.241
27 H ARG 5 H ARG 5 -8.038 -8.472 10.247
28 HA ARG 5 HA ARG 5 -9.437 -10.064 8.228
29 1HB ARG 5 2HB ARG 5 -9.620 -10.398 11.105
30 2HB ARG 5 1HB ARG 5 -11.130 -9.693 10.608
31 1HG ARG 5 2HG ARG 5 -11.828 -11.719 9.981
32 2HG ARG 5 1HG ARG 5 -10.668 -11.695 8.670
33 1HD ARG 5 2HD ARG 5 -9.825 -12.569 11.461
34 2HD ARG 5 1HD ARG 5 -10.551 -13.704 10.326
35 HE ARG 5 HE ARG 5 -8.533 -12.421 8.886
36 1HH1 ARG 5 2HH1 ARG 5 -8.783 -14.333 11.767
37 2HH1 ARG 5 1HH1 ARG 5 -7.191 -14.992 11.603
38 1HH2 ARG 5 1HH2 ARG 5 -6.517 -13.247 8.659
39 2HH2 ARG 5 2HH2 ARG 5 -5.891 -14.373 9.817
40 H HIS 6 H HIS 6 -8.527 -7.531 7.899
41 HA HIS 6 HA HIS 6 -10.593 -5.603 8.510
42 1HB HIS 6 2HB HIS 6 -9.064 -4.010 7.446
43 2HB HIS 6 1HB HIS 6 -8.104 -5.091 8.433
44 HD1 HIS 6 HD1 HIS 6 -8.450 -7.320 5.988
45 HD2 HIS 6 HD2 HIS 6 -6.715 -3.628 5.830
46 HE1 HIS 6 HE1 HIS 6 -6.903 -7.361 4.065
47 H ASP 7 H ASP 7 -11.392 -7.826 6.986
48 HA ASP 7 HA ASP 7 -11.721 -7.354 4.225
49 1HB ASP 7 2HB ASP 7 -13.860 -8.935 4.730
50 2HB ASP 7 1HB ASP 7 -12.228 -9.565 4.753
51 H SER 8 H SER 8 -12.925 -5.951 3.187
52 HA SER 8 HA SER 8 -14.562 -4.016 4.454
53 1HB SER 8 2HB SER 8 -14.335 -4.735 1.498
54 2HB SER 8 1HB SER 8 -14.954 -3.204 2.145
55 HG SER 8 HG SER 8 -12.656 -3.808 3.376
56 H GLY 9 H GLY 9 -16.722 -3.585 2.968
57 1HA GLY 9 2HA GLY 9 -18.866 -4.477 2.261
58 2HA GLY 9 1HA GLY 9 -18.511 -5.982 3.133
59 H TYR 10 H TYR 10 -17.763 -5.370 5.457
60 HA TYR 10 HA TYR 10 -19.685 -3.541 6.756
61 1HB TYR 10 2HB TYR 10 -20.032 -6.221 6.909
62 2HB TYR 10 1HB TYR 10 -18.712 -6.127 8.063
63 HD1 TYR 10 HD2 TYR 10 -22.069 -4.676 7.287
64 HD2 TYR 10 HD1 TYR 10 -19.167 -5.438 10.313
65 HE1 TYR 10 HE2 TYR 10 -23.654 -3.934 8.998
66 HE2 TYR 10 HE1 TYR 10 -20.755 -4.695 12.019
67 HH TYR 10 HH TYR 10 -23.908 -4.493 11.642
68 H GLU 11 H GLU 11 -17.219 -3.025 5.753
69 HA GLU 11 HA GLU 11 -15.901 -1.843 7.972
70 1HB GLU 11 2HB GLU 11 -15.161 -4.494 7.606
71 2HB GLU 11 1HB GLU 11 -14.005 -3.708 6.562
72 1HG GLU 11 2HG GLU 11 -14.396 -2.517 9.293
73 2HG GLU 11 1HG GLU 11 -13.624 -4.088 9.215
74 H VAL 12 H VAL 12 -14.010 -0.593 7.262
75 HA VAL 12 HA VAL 12 -14.551 0.868 4.912
76 HB VAL 12 HB VAL 12 -11.836 0.741 6.262
77 1HG1 VAL 12 3HG1 VAL 12 -13.349 2.973 4.836
78 2HG1 VAL 12 2HG1 VAL 12 -11.812 3.195 5.656
79 3HG1 VAL 12 1HG1 VAL 12 -11.912 2.152 4.253
80 1HG2 VAL 12 1HG2 VAL 12 -14.376 2.150 7.210
81 2HG2 VAL 12 3HG2 VAL 12 -13.383 1.030 8.125
82 3HG2 VAL 12 2HG2 VAL 12 -12.780 2.631 7.758
83 H HIS 13 H HIS 13 -13.397 1.051 2.999
84 HA HIS 13 HA HIS 13 -12.158 -1.435 2.046
85 1HB HIS 13 2HB HIS 13 -14.237 -0.366 0.903
86 2HB HIS 13 1HB HIS 13 -13.149 0.895 0.343
87 HD1 HIS 13 HD1 HIS 13 -12.140 0.323 -1.859
88 HD2 HIS 13 HD2 HIS 13 -13.147 -3.098 0.117
89 HE1 HIS 13 HE1 HIS 13 -11.609 -1.542 -3.384
90 H HIS 14 H HIS 14 -10.794 0.518 3.616
91 HA HIS 14 HA HIS 14 -8.746 1.602 1.729
92 1HB HIS 14 2HB HIS 14 -9.855 3.030 3.603
93 2HB HIS 14 1HB HIS 14 -8.804 2.117 4.676
94 HD1 HIS 14 HD1 HIS 14 -6.484 2.085 2.401
95 HD2 HIS 14 HD2 HIS 14 -8.284 5.392 3.975
96 HE1 HIS 14 HE1 HIS 14 -4.923 3.959 2.041
97 H GLN 15 H GLN 15 -8.816 -1.083 1.928
98 HA GLN 15 HA GLN 15 -7.170 -2.279 3.897
99 1HB GLN 15 2HB GLN 15 -7.591 -3.152 1.008
100 2HB GLN 15 1HB GLN 15 -7.033 -4.180 2.308
101 1HG GLN 15 2HG GLN 15 -9.182 -4.673 2.864
102 2HG GLN 15 1HG GLN 15 -9.490 -2.990 3.247
103 1HE2 GLN 15 2HE2 GLN 15 -10.552 -2.399 -0.281
104 2HE2 GLN 15 1HE2 GLN 15 -9.344 -1.768 0.729
105 H LYS 16 H LYS 16 -6.329 -0.018 1.634
106 HA LYS 16 HA LYS 16 -3.703 -0.951 0.909
107 1HB LYS 16 2HB LYS 16 -4.952 1.800 0.683
108 2HB LYS 16 1HB LYS 16 -3.500 1.275 -0.136
109 1HG LYS 16 2HG LYS 16 -4.687 0.327 -1.831
110 2HG LYS 16 1HG LYS 16 -5.661 -0.607 -0.721
111 1HD LYS 16 2HD LYS 16 -7.145 0.840 -1.975
112 2HD LYS 16 1HD LYS 16 -7.108 1.418 -0.323
113 1HE LYS 16 2HE LYS 16 -5.057 2.638 -2.146
114 2HE LYS 16 1HE LYS 16 -6.726 3.037 -2.512
115 1HZ LYS 16 2HZ LYS 16 -6.389 3.225 0.249
116 2HZ LYS 16 1HZ LYS 16 -5.105 4.055 -0.488
117 3HZ LYS 16 3HZ LYS 16 -6.709 4.464 -0.866
118 H LEU 17 H LEU 17 -5.080 1.381 3.140
119 HA LEU 17 HA LEU 17 -2.961 2.802 4.115
120 1HB LEU 17 2HB LEU 17 -5.483 2.703 4.879
121 2HB LEU 17 1HB LEU 17 -4.920 1.549 6.060
122 HG LEU 17 HG LEU 17 -3.096 3.397 6.632
123 1HD1 LEU 17 1HD1 LEU 17 -3.741 4.842 4.633
124 2HD1 LEU 17 3HD1 LEU 17 -5.287 5.137 5.410
125 3HD1 LEU 17 2HD1 LEU 17 -3.803 5.689 6.166
126 1HD2 LEU 17 1HD2 LEU 17 -6.040 3.744 7.349
127 2HD2 LEU 17 3HD2 LEU 17 -4.894 2.706 8.183
128 3HD2 LEU 17 2HD2 LEU 17 -4.696 4.450 8.233
129 H VAL 18 H VAL 18 -3.804 -0.419 5.331
130 HA VAL 18 HA VAL 18 -1.881 -0.690 7.316
131 HB VAL 18 HB VAL 18 -2.180 -3.181 6.889
132 1HG1 VAL 18 3HG1 VAL 18 -3.855 -1.773 8.154
133 2HG1 VAL 18 2HG1 VAL 18 -4.762 -1.600 6.656
134 3HG1 VAL 18 1HG1 VAL 18 -4.557 -3.189 7.379
135 1HG2 VAL 18 2HG2 VAL 18 -3.301 -2.110 4.324
136 2HG2 VAL 18 1HG2 VAL 18 -2.394 -3.581 4.619
137 3HG2 VAL 18 3HG2 VAL 18 -4.099 -3.505 5.022
138 H PHE 19 H PHE 19 -1.527 -1.919 3.978
139 HA PHE 19 HA PHE 19 1.203 -2.578 4.187
140 1HB PHE 19 2HB PHE 19 -0.215 -1.687 1.651
141 2HB PHE 19 1HB PHE 19 1.179 -2.757 1.768
142 HD1 PHE 19 HD1 PHE 19 0.763 -4.732 3.592
143 HD2 PHE 19 HD2 PHE 19 -2.214 -2.728 1.326
144 HE1 PHE 19 HE1 PHE 19 -0.741 -6.681 3.863
145 HE2 PHE 19 HE2 PHE 19 -3.734 -4.674 1.584
146 HZ PHE 19 HZ PHE 19 -2.989 -6.642 2.858
147 H PHE 20 H PHE 20 -0.374 0.324 3.011
148 HA PHE 20 HA PHE 20 1.786 1.743 2.076
149 1HB PHE 20 2HB PHE 20 -0.745 2.335 2.081
150 2HB PHE 20 1HB PHE 20 -0.508 2.971 3.700
151 HD1 PHE 20 HD2 PHE 20 0.707 3.297 0.191
152 HD2 PHE 20 HD1 PHE 20 0.324 5.161 4.000
153 HE1 PHE 20 HE2 PHE 20 1.491 5.421 -0.769
154 HE2 PHE 20 HE1 PHE 20 1.107 7.284 3.041
155 HZ PHE 20 HZ PHE 20 1.691 7.417 0.655
156 H ALA 21 H ALA 21 1.500 0.715 5.226
157 HA ALA 21 HA ALA 21 3.436 2.701 6.233
158 1HB ALA 21 1HB ALA 21 1.367 1.030 7.749
159 2HB ALA 21 3HB ALA 21 2.520 2.116 8.511
160 3HB ALA 21 2HB ALA 21 1.259 2.760 7.471
161 H GLU 22 H GLU 22 2.337 -0.649 6.538
162 HA GLU 22 HA GLU 22 4.574 -1.756 7.774
163 1HB GLU 22 2HB GLU 22 2.715 -2.937 5.779
164 2HB GLU 22 1HB GLU 22 3.784 -3.902 6.767
165 1HG GLU 22 2HG GLU 22 2.587 -3.540 8.646
166 2HG GLU 22 1HG GLU 22 2.090 -1.919 8.246
167 H ASP 23 H ASP 23 4.077 -1.211 4.355
168 HA ASP 23 HA ASP 23 6.378 -2.598 3.447
169 1HB ASP 23 2HB ASP 23 5.521 -1.926 1.270
170 2HB ASP 23 1HB ASP 23 4.101 -1.704 2.233
171 H VAL 24 H VAL 24 5.735 0.674 4.297
172 HA VAL 24 HA VAL 24 8.160 1.831 3.355
173 HB VAL 24 HB VAL 24 7.412 3.734 4.357
174 1HG1 VAL 24 2HG1 VAL 24 5.408 2.852 3.212
175 2HG1 VAL 24 1HG1 VAL 24 4.859 2.099 4.679
176 3HG1 VAL 24 3HG1 VAL 24 4.935 3.839 4.580
177 1HG2 VAL 24 1HG2 VAL 24 6.678 2.321 6.920
178 2HG2 VAL 24 3HG2 VAL 24 7.973 3.454 6.610
179 3HG2 VAL 24 2HG2 VAL 24 6.310 3.997 6.592
180 H GLY 25 H GLY 25 7.120 0.500 6.391
181 1HA GLY 25 2HA GLY 25 9.537 0.648 7.856
182 2HA GLY 25 1HA GLY 25 8.260 -0.538 8.160
183 H SER 26 H SER 26 8.202 -1.951 5.798
184 HA SER 26 HA SER 26 10.700 -3.458 5.911
185 1HB SER 26 2HB SER 26 8.383 -4.549 6.125
186 2HB SER 26 1HB SER 26 8.117 -4.156 4.420
187 HG SER 26 HG SER 26 9.570 -6.126 5.477
188 H ASN 27 H ASN 27 10.871 -0.955 4.721
189 HA ASN 27 HA ASN 27 10.550 -0.625 2.005
190 1HB ASN 27 2HB ASN 27 12.872 0.692 2.284
191 2HB ASN 27 1HB ASN 27 11.379 1.260 2.990
192 1HD2 ASN 27 2HD2 ASN 27 13.122 1.413 5.982
193 2HD2 ASN 27 1HD2 ASN 27 12.199 2.234 4.820
194 H LYS 28 H LYS 28 11.764 -0.917 0.217
195 HA LYS 28 HA LYS 28 14.221 -2.404 0.091
196 1HB LYS 28 2HB LYS 28 13.250 -4.376 -1.161
197 2HB LYS 28 1HB LYS 28 12.624 -4.306 0.467
198 1HG LYS 28 2HG LYS 28 10.887 -2.701 -1.248
199 2HG LYS 28 1HG LYS 28 11.163 -4.228 -2.044
200 1HD LYS 28 2HD LYS 28 9.892 -5.393 -0.560
201 2HD LYS 28 1HD LYS 28 10.558 -4.575 0.836
202 1HE LYS 28 2HE LYS 28 8.501 -3.314 -1.028
203 2HE LYS 28 1HE LYS 28 8.098 -4.118 0.481
204 1HZ LYS 28 2HZ LYS 28 10.145 -2.290 0.985
205 2HZ LYS 28 1HZ LYS 28 8.938 -1.492 0.095
206 3HZ LYS 28 3HZ LYS 28 8.546 -2.272 1.552
207 H GLY 29 H GLY 29 13.471 0.092 -0.687
208 1HA GLY 29 2HA GLY 29 13.458 1.569 -2.497
209 2HA GLY 29 1HA GLY 29 14.332 0.295 -3.346
210 H ALA 30 H ALA 30 11.266 -0.457 -2.084
211 HA ALA 30 HA ALA 30 9.256 -1.107 -2.999
212 1HB ALA 30 1HB ALA 30 9.284 1.446 -3.306
213 2HB ALA 30 3HB ALA 30 9.681 1.153 -4.992
214 3HB ALA 30 2HB ALA 30 8.160 0.564 -4.327
215 H ILE 31 H ILE 31 11.845 -2.113 -4.263
216 HA ILE 31 HA ILE 31 11.609 -2.538 -7.008
217 HB ILE 31 HB ILE 31 12.730 -4.302 -4.866
218 1HG1 ILE 31 2HG1 ILE 31 14.304 -2.480 -6.735
219 2HG1 ILE 31 1HG1 ILE 31 13.619 -1.840 -5.259
220 1HG2 ILE 31 2HG2 ILE 31 13.087 -4.404 -7.892
221 2HG2 ILE 31 1HG2 ILE 31 14.207 -5.192 -6.797
222 3HG2 ILE 31 3HG2 ILE 31 12.533 -5.699 -6.843
223 1HD1 ILE 31 3HD1 ILE 31 14.829 -3.802 -4.045
224 2HD1 ILE 31 2HD1 ILE 31 15.743 -3.976 -5.536
225 3HD1 ILE 31 1HD1 ILE 31 15.812 -2.472 -4.633
226 H ILE 32 H ILE 32 9.932 -3.985 -4.387
227 HA ILE 32 HA ILE 32 8.981 -6.398 -5.359
228 HB ILE 32 HB ILE 32 8.646 -5.469 -3.060
229 1HG1 ILE 32 2HG1 ILE 32 5.899 -6.180 -4.152
230 2HG1 ILE 32 1HG1 ILE 32 7.184 -7.370 -4.149
231 1HG2 ILE 32 2HG2 ILE 32 7.922 -3.159 -3.785
232 2HG2 ILE 32 1HG2 ILE 32 6.370 -3.827 -4.264
233 3HG2 ILE 32 3HG2 ILE 32 6.861 -3.864 -2.582
234 1HD1 ILE 32 1HD1 ILE 32 7.482 -7.038 -1.689
235 2HD1 ILE 32 3HD1 ILE 32 6.143 -5.899 -1.695
236 3HD1 ILE 32 2HD1 ILE 32 5.863 -7.584 -2.094
237 H GLY 33 H GLY 33 7.972 -3.195 -6.236
238 1HA GLY 33 2HA GLY 33 5.838 -4.229 -8.056
239 2HA GLY 33 1HA GLY 33 5.924 -2.582 -7.410
240 H LEU 34 H LEU 34 8.641 -2.170 -7.693
241 HA LEU 34 HA LEU 34 10.172 -1.272 -9.146
242 1HB LEU 34 2HB LEU 34 9.681 -3.991 -9.928
243 2HB LEU 34 1HB LEU 34 9.761 -3.112 -11.432
244 HG LEU 34 HG LEU 34 11.871 -2.861 -9.240
245 1HD1 LEU 34 1HD1 LEU 34 11.885 -4.639 -11.719
246 2HD1 LEU 34 3HD1 LEU 34 13.245 -4.402 -10.631
247 3HD1 LEU 34 2HD1 LEU 34 11.791 -5.198 -10.056
248 1HD2 LEU 34 2HD2 LEU 34 11.856 -2.085 -12.195
249 2HD2 LEU 34 1HD2 LEU 34 11.817 -0.976 -10.833
250 3HD2 LEU 34 3HD2 LEU 34 13.247 -1.949 -11.129
251 1HN SME 35 HN MEO 35 7.570 -0.314 -9.184
252 HA SME 35 HA MEO 35 7.644 1.398 -11.474
253 1HB SME 35 1HB MEO 35 5.051 -0.194 -11.341
254 2HB SME 35 2HB MEO 35 6.421 -0.960 -12.111
255 1HG SME 35 1HG MEO 35 6.662 1.016 -13.632
256 2HG SME 35 2HG MEO 35 5.223 1.722 -12.902
257 1HE SME 35 1HE MEO 35 4.397 1.889 -15.391
258 2HE SME 35 2HE MEO 35 4.143 0.505 -16.454
259 3HE SME 35 3HE MEO 35 5.780 0.986 -16.011
260 H VAL 36 H VAL 36 7.698 1.511 -8.692
261 HA VAL 36 HA VAL 36 5.306 2.313 -7.437
262 HB VAL 36 HB VAL 36 7.510 1.725 -6.368
263 1HG1 VAL 36 3HG1 VAL 36 8.936 3.224 -7.842
264 2HG1 VAL 36 2HG1 VAL 36 8.378 4.586 -6.881
265 3HG1 VAL 36 1HG1 VAL 36 9.298 3.298 -6.128
266 1HG2 VAL 36 2HG2 VAL 36 5.664 2.826 -5.071
267 2HG2 VAL 36 1HG2 VAL 36 7.247 3.246 -4.445
268 3HG2 VAL 36 3HG2 VAL 36 6.364 4.394 -5.438
269 H GLY 37 H GLY 37 7.710 4.111 -9.148
270 1HA GLY 37 2HA GLY 37 6.769 5.979 -10.634
271 2HA GLY 37 1HA GLY 37 6.021 6.596 -9.157
272 H GLY 38 H GLY 38 9.175 5.111 -9.425
273 1HA GLY 38 2HA GLY 38 10.742 7.492 -9.534
274 2HA GLY 38 1HA GLY 38 10.611 6.905 -7.867
275 H VAL 39 H VAL 39 10.835 5.288 -10.985
276 HA VAL 39 HA VAL 39 12.974 3.539 -9.982
277 HB VAL 39 HB VAL 39 11.468 3.271 -12.635
278 1HG1 VAL 39 3HG1 VAL 39 12.771 1.206 -10.795
279 2HG1 VAL 39 2HG1 VAL 39 11.978 0.856 -12.323
280 3HG1 VAL 39 1HG1 VAL 39 13.461 1.784 -12.301
281 1HG2 VAL 39 1HG2 VAL 39 10.577 2.318 -9.874
282 2HG2 VAL 39 3HG2 VAL 39 9.693 3.378 -10.961
283 3HG2 VAL 39 2HG2 VAL 39 9.915 1.688 -11.373
284 H VAL 40 H VAL 40 13.433 6.210 -10.547
285 HA VAL 40 HA VAL 40 14.922 7.674 -11.530
286 HB VAL 40 HB VAL 40 16.337 5.065 -12.298
287 1HG1 VAL 40 3HG1 VAL 40 17.362 7.931 -12.013
288 2HG1 VAL 40 2HG1 VAL 40 18.408 6.530 -12.172
289 3HG1 VAL 40 1HG1 VAL 40 17.343 6.979 -13.487
290 1HG2 VAL 40 2HG2 VAL 40 16.486 6.780 -9.784
291 2HG2 VAL 40 1HG2 VAL 40 15.906 5.125 -9.890
292 3HG2 VAL 40 3HG2 VAL 40 17.603 5.476 -10.153
No H/Q in entry = 292
Start of MODEL 2
1 1H ASP 1 3H ASP 1 2.081 -5.334 8.360
2 2H ASP 1 2H ASP 1 3.587 -4.811 8.936
3 3H ASP 1 1H ASP 1 3.420 -6.365 8.270
4 HA ASP 1 HA ASP 1 2.929 -7.210 10.201
5 1HB ASP 1 2HB ASP 1 4.362 -5.052 10.866
6 2HB ASP 1 1HB ASP 1 2.848 -4.459 11.519
7 H ALA 2 H ALA 2 0.843 -6.398 8.521
8 HA ALA 2 HA ALA 2 -1.433 -6.964 10.122
9 1HB ALA 2 2HB ALA 2 -0.926 -4.306 10.387
10 2HB ALA 2 1HB ALA 2 -1.712 -4.218 8.824
11 3HB ALA 2 3HB ALA 2 -2.573 -4.873 10.196
12 H GLU 3 H GLU 3 -0.669 -8.428 8.365
13 HA GLU 3 HA GLU 3 -2.115 -7.900 5.861
14 1HB GLU 3 2HB GLU 3 0.618 -9.054 6.436
15 2HB GLU 3 1HB GLU 3 -0.254 -9.759 5.099
16 1HG GLU 3 2HG GLU 3 1.127 -7.951 4.226
17 2HG GLU 3 1HG GLU 3 -0.558 -7.479 4.115
18 H PHE 4 H PHE 4 -2.541 -9.329 8.520
19 HA PHE 4 HA PHE 4 -3.000 -12.098 7.983
20 1HB PHE 4 2HB PHE 4 -4.536 -11.928 10.027
21 2HB PHE 4 1HB PHE 4 -2.899 -11.378 10.299
22 HD1 PHE 4 HD2 PHE 4 -2.420 -8.968 10.594
23 HD2 PHE 4 HD1 PHE 4 -6.413 -10.333 10.000
24 HE1 PHE 4 HE2 PHE 4 -3.283 -6.800 11.359
25 HE2 PHE 4 HE1 PHE 4 -7.265 -8.166 10.761
26 HZ PHE 4 HZ PHE 4 -5.703 -6.396 11.441
27 H ARG 5 H ARG 5 -4.548 -13.012 6.774
28 HA ARG 5 HA ARG 5 -6.339 -13.178 5.281
29 1HB ARG 5 2HB ARG 5 -7.307 -13.250 7.691
30 2HB ARG 5 1HB ARG 5 -7.791 -11.588 7.437
31 1HG ARG 5 2HG ARG 5 -9.036 -12.454 5.313
32 2HG ARG 5 1HG ARG 5 -8.700 -14.065 5.910
33 1HD ARG 5 2HD ARG 5 -9.775 -12.843 8.184
34 2HD ARG 5 1HD ARG 5 -10.653 -12.045 6.889
35 HE ARG 5 HE ARG 5 -11.774 -14.051 6.471
36 1HH1 ARG 5 2HH1 ARG 5 -8.893 -14.649 8.305
37 2HH1 ARG 5 1HH1 ARG 5 -9.262 -16.321 8.553
38 1HH2 ARG 5 1HH2 ARG 5 -12.262 -16.164 6.774
39 2HH2 ARG 5 2HH2 ARG 5 -11.199 -17.195 7.672
40 H HIS 6 H HIS 6 -4.636 -11.147 4.685
41 HA HIS 6 HA HIS 6 -4.309 -9.119 3.711
42 1HB HIS 6 2HB HIS 6 -5.470 -9.098 1.580
43 2HB HIS 6 1HB HIS 6 -5.142 -10.755 2.018
44 HD1 HIS 6 HD1 HIS 6 -8.072 -8.405 2.031
45 HD2 HIS 6 HD2 HIS 6 -7.341 -12.417 2.187
46 HE1 HIS 6 HE1 HIS 6 -10.265 -9.516 1.871
47 H ASP 7 H ASP 7 -5.744 -8.706 6.051
48 HA ASP 7 HA ASP 7 -8.029 -7.178 6.020
49 1HB ASP 7 2HB ASP 7 -7.183 -6.214 8.156
50 2HB ASP 7 1HB ASP 7 -6.948 -7.944 8.067
51 H SER 8 H SER 8 -8.333 -5.808 4.483
52 HA SER 8 HA SER 8 -7.412 -3.113 4.632
53 1HB SER 8 2HB SER 8 -6.190 -4.977 2.557
54 2HB SER 8 1HB SER 8 -6.634 -3.362 1.989
55 HG SER 8 HG SER 8 -4.613 -4.089 3.580
56 H GLY 9 H GLY 9 -9.692 -4.519 4.913
57 1HA GLY 9 2HA GLY 9 -11.541 -3.248 3.023
58 2HA GLY 9 1HA GLY 9 -11.567 -5.015 3.016
59 H TYR 10 H TYR 10 -10.812 -5.139 5.833
60 HA TYR 10 HA TYR 10 -13.428 -4.587 7.083
61 1HB TYR 10 2HB TYR 10 -12.270 -6.983 6.948
62 2HB TYR 10 1HB TYR 10 -11.221 -6.377 8.215
63 HD1 TYR 10 HD2 TYR 10 -14.749 -7.113 7.333
64 HD2 TYR 10 HD1 TYR 10 -12.055 -6.144 10.489
65 HE1 TYR 10 HE2 TYR 10 -16.486 -7.631 8.978
66 HE2 TYR 10 HE1 TYR 10 -13.794 -6.663 12.130
67 HH TYR 10 HH TYR 10 -16.275 -8.425 11.691
68 H GLU 11 H GLU 11 -12.077 -2.452 6.666
69 HA GLU 11 HA GLU 11 -11.487 -1.429 9.266
70 1HB GLU 11 2HB GLU 11 -9.322 -2.641 7.975
71 2HB GLU 11 1HB GLU 11 -9.130 -0.985 7.463
72 1HG GLU 11 2HG GLU 11 -9.720 -1.202 10.366
73 2HG GLU 11 1HG GLU 11 -8.275 -2.070 9.893
74 H VAL 12 H VAL 12 -11.466 0.856 9.302
75 HA VAL 12 HA VAL 12 -12.979 2.097 7.253
76 HB VAL 12 HB VAL 12 -13.056 3.039 9.434
77 1HG1 VAL 12 2HG1 VAL 12 -10.037 3.495 9.254
78 2HG1 VAL 12 1HG1 VAL 12 -11.050 4.103 10.550
79 3HG1 VAL 12 3HG1 VAL 12 -10.851 2.377 10.339
80 1HG2 VAL 12 3HG2 VAL 12 -13.142 4.685 7.514
81 2HG2 VAL 12 2HG2 VAL 12 -12.751 5.377 9.076
82 3HG2 VAL 12 1HG2 VAL 12 -11.481 5.117 7.895
83 H HIS 13 H HIS 13 -12.404 3.672 5.810
84 HA HIS 13 HA HIS 13 -11.266 4.327 3.883
85 1HB HIS 13 2HB HIS 13 -10.551 5.814 5.740
86 2HB HIS 13 1HB HIS 13 -9.156 4.780 6.027
87 HD1 HIS 13 HD1 HIS 13 -7.223 5.095 4.346
88 HD2 HIS 13 HD2 HIS 13 -10.479 7.307 3.270
89 HE1 HIS 13 HE1 HIS 13 -6.481 6.579 2.521
90 H HIS 14 H HIS 14 -11.235 1.643 4.301
91 HA HIS 14 HA HIS 14 -8.801 0.224 4.137
92 1HB HIS 14 2HB HIS 14 -10.380 -1.417 2.738
93 2HB HIS 14 1HB HIS 14 -10.631 -1.192 4.454
94 HD1 HIS 14 HD1 HIS 14 -11.764 0.957 1.579
95 HD2 HIS 14 HD2 HIS 14 -13.385 -1.092 4.713
96 HE1 HIS 14 HE1 HIS 14 -14.182 1.445 1.551
97 H GLN 15 H GLN 15 -7.429 1.476 2.847
98 HA GLN 15 HA GLN 15 -7.568 0.848 -0.010
99 1HB GLN 15 2HB GLN 15 -7.353 3.663 1.169
100 2HB GLN 15 1HB GLN 15 -6.828 3.312 -0.460
101 1HG GLN 15 2HG GLN 15 -8.975 3.893 -1.009
102 2HG GLN 15 1HG GLN 15 -9.328 2.223 -0.611
103 1HE2 GLN 15 2HE2 GLN 15 -11.548 3.218 1.921
104 2HE2 GLN 15 1HE2 GLN 15 -11.116 2.079 0.740
105 H LYS 16 H LYS 16 -5.996 -0.637 0.953
106 HA LYS 16 HA LYS 16 -3.850 -1.408 1.296
107 1HB LYS 16 2HB LYS 16 -3.982 -0.017 -0.953
108 2HB LYS 16 1HB LYS 16 -2.879 1.047 -0.127
109 1HG LYS 16 2HG LYS 16 -1.377 -0.407 -1.201
110 2HG LYS 16 1HG LYS 16 -1.530 -1.185 0.349
111 1HD LYS 16 2HD LYS 16 -2.147 -3.073 -0.756
112 2HD LYS 16 1HD LYS 16 -3.676 -2.294 -1.098
113 1HE LYS 16 2HE LYS 16 -1.188 -2.113 -2.860
114 2HE LYS 16 1HE LYS 16 -2.574 -3.144 -3.171
115 1HZ LYS 16 1HZ LYS 16 -2.227 -0.466 -3.850
116 2HZ LYS 16 3HZ LYS 16 -3.561 -1.470 -4.162
117 3HZ LYS 16 2HZ LYS 16 -3.505 -0.548 -2.738
118 H LEU 17 H LEU 17 -4.986 0.855 3.091
119 HA LEU 17 HA LEU 17 -3.002 2.493 4.139
120 1HB LEU 17 2HB LEU 17 -4.317 2.568 6.201
121 2HB LEU 17 1HB LEU 17 -5.360 2.582 4.804
122 HG LEU 17 HG LEU 17 -5.276 -0.144 5.305
123 1HD1 LEU 17 2HD1 LEU 17 -3.907 0.319 7.432
124 2HD1 LEU 17 1HD1 LEU 17 -5.288 1.200 8.050
125 3HD1 LEU 17 3HD1 LEU 17 -5.421 -0.518 7.714
126 1HD2 LEU 17 1HD2 LEU 17 -7.274 1.380 5.006
127 2HD2 LEU 17 3HD2 LEU 17 -7.511 0.128 6.213
128 3HD2 LEU 17 2HD2 LEU 17 -7.172 1.780 6.711
129 H VAL 18 H VAL 18 -3.470 -0.946 5.050
130 HA VAL 18 HA VAL 18 -1.646 -0.934 7.188
131 HB VAL 18 HB VAL 18 -1.610 -3.427 6.798
132 1HG1 VAL 18 2HG1 VAL 18 -3.554 -2.182 7.885
133 2HG1 VAL 18 1HG1 VAL 18 -4.382 -2.313 6.337
134 3HG1 VAL 18 3HG1 VAL 18 -3.931 -3.764 7.217
135 1HG2 VAL 18 2HG2 VAL 18 -2.986 -2.659 4.208
136 2HG2 VAL 18 1HG2 VAL 18 -1.592 -3.700 4.442
137 3HG2 VAL 18 3HG2 VAL 18 -3.178 -4.250 4.930
138 H PHE 19 H PHE 19 -1.147 -1.878 3.807
139 HA PHE 19 HA PHE 19 1.616 -2.358 3.922
140 1HB PHE 19 2HB PHE 19 -0.016 -1.282 1.602
141 2HB PHE 19 1HB PHE 19 1.513 -2.124 1.446
142 HD1 PHE 19 HD1 PHE 19 1.669 -4.533 2.205
143 HD2 PHE 19 HD2 PHE 19 -2.085 -2.547 1.865
144 HE1 PHE 19 HE1 PHE 19 0.524 -6.696 2.167
145 HE2 PHE 19 HE2 PHE 19 -3.225 -4.711 1.826
146 HZ PHE 19 HZ PHE 19 -1.927 -6.793 1.982
147 H PHE 20 H PHE 20 -0.157 0.563 3.143
148 HA PHE 20 HA PHE 20 1.803 2.331 2.400
149 1HB PHE 20 2HB PHE 20 -0.867 2.533 3.676
150 2HB PHE 20 1HB PHE 20 0.126 3.947 3.953
151 HD1 PHE 20 HD2 PHE 20 1.566 4.545 1.620
152 HD2 PHE 20 HD1 PHE 20 -2.302 2.763 1.844
153 HE1 PHE 20 HE2 PHE 20 1.060 5.347 -0.640
154 HE2 PHE 20 HE1 PHE 20 -2.800 3.566 -0.414
155 HZ PHE 20 HZ PHE 20 -1.123 4.860 -1.663
156 H ALA 21 H ALA 21 1.578 0.946 5.528
157 HA ALA 21 HA ALA 21 3.624 2.826 6.500
158 1HB ALA 21 2HB ALA 21 1.433 1.408 8.101
159 2HB ALA 21 1HB ALA 21 2.667 2.436 8.814
160 3HB ALA 21 3HB ALA 21 1.464 3.126 7.737
161 H GLU 22 H GLU 22 2.421 -0.478 6.712
162 HA GLU 22 HA GLU 22 4.688 -1.483 8.099
163 1HB GLU 22 2HB GLU 22 2.572 -2.785 6.457
164 2HB GLU 22 1HB GLU 22 3.703 -3.677 7.445
165 1HG GLU 22 2HG GLU 22 2.702 -3.013 9.370
166 2HG GLU 22 1HG GLU 22 2.272 -1.422 8.817
167 H ASP 23 H ASP 23 3.640 -1.714 4.720
168 HA ASP 23 HA ASP 23 5.999 -3.032 3.853
169 1HB ASP 23 2HB ASP 23 3.556 -2.356 2.692
170 2HB ASP 23 1HB ASP 23 4.711 -1.385 1.795
171 H VAL 24 H VAL 24 5.154 0.417 3.896
172 HA VAL 24 HA VAL 24 7.513 1.229 2.498
173 HB VAL 24 HB VAL 24 7.106 3.445 3.504
174 1HG1 VAL 24 3HG1 VAL 24 5.646 2.606 1.625
175 2HG1 VAL 24 2HG1 VAL 24 4.477 2.067 2.821
176 3HG1 VAL 24 1HG1 VAL 24 4.820 3.783 2.641
177 1HG2 VAL 24 1HG2 VAL 24 5.078 2.050 5.204
178 2HG2 VAL 24 3HG2 VAL 24 6.532 2.840 5.806
179 3HG2 VAL 24 2HG2 VAL 24 5.243 3.796 5.106
180 H GLY 25 H GLY 25 6.662 0.520 5.734
181 1HA GLY 25 2HA GLY 25 8.971 1.279 7.171
182 2HA GLY 25 1HA GLY 25 7.891 -0.034 7.655
183 H SER 26 H SER 26 8.134 -1.842 5.650
184 HA SER 26 HA SER 26 10.778 -2.937 6.102
185 1HB SER 26 2HB SER 26 9.800 -4.950 4.915
186 2HB SER 26 1HB SER 26 8.733 -4.371 6.202
187 HG SER 26 HG SER 26 7.334 -3.951 4.732
188 H ASN 27 H ASN 27 10.671 -0.534 4.456
189 HA ASN 27 HA ASN 27 10.910 -0.978 1.708
190 1HB ASN 27 2HB ASN 27 12.442 1.128 1.840
191 2HB ASN 27 1HB ASN 27 10.768 1.254 2.317
192 1HD2 ASN 27 2HD2 ASN 27 12.139 2.819 5.121
193 2HD2 ASN 27 1HD2 ASN 27 11.317 3.050 3.656
194 H LYS 28 H LYS 28 12.850 -0.877 0.395
195 HA LYS 28 HA LYS 28 15.428 -1.539 1.449
196 1HB LYS 28 2HB LYS 28 15.509 -3.858 0.296
197 2HB LYS 28 1HB LYS 28 14.519 -3.790 1.734
198 1HG LYS 28 2HG LYS 28 12.521 -4.010 0.585
199 2HG LYS 28 1HG LYS 28 13.098 -3.157 -0.831
200 1HD LYS 28 2HD LYS 28 12.858 -5.428 -1.522
201 2HD LYS 28 1HD LYS 28 14.583 -5.194 -1.322
202 1HE LYS 28 2HE LYS 28 14.457 -6.236 0.945
203 2HE LYS 28 1HE LYS 28 12.720 -6.441 0.756
204 1HZ LYS 28 3HZ LYS 28 13.984 -7.524 -1.488
205 2HZ LYS 28 2HZ LYS 28 14.764 -8.122 -0.104
206 3HZ LYS 28 1HZ LYS 28 13.088 -8.321 -0.286
207 H GLY 29 H GLY 29 14.451 0.436 -0.152
208 1HA GLY 29 2HA GLY 29 14.874 1.599 -2.125
209 2HA GLY 29 1HA GLY 29 16.305 0.578 -2.256
210 H ALA 30 H ALA 30 13.237 -0.913 -2.093
211 HA ALA 30 HA ALA 30 13.047 -1.309 -5.004
212 1HB ALA 30 2HB ALA 30 14.202 -3.268 -3.718
213 2HB ALA 30 1HB ALA 30 12.618 -3.578 -3.024
214 3HB ALA 30 3HB ALA 30 12.854 -3.693 -4.760
215 H ILE 31 H ILE 31 11.510 -1.700 -1.843
216 HA ILE 31 HA ILE 31 8.863 -2.133 -2.644
217 HB ILE 31 HB ILE 31 9.845 -0.498 -0.338
218 1HG1 ILE 31 2HG1 ILE 31 10.872 -2.679 -0.193
219 2HG1 ILE 31 1HG1 ILE 31 9.592 -2.640 0.990
220 1HG2 ILE 31 2HG2 ILE 31 7.122 -1.703 -0.905
221 2HG2 ILE 31 1HG2 ILE 31 7.631 -1.349 0.736
222 3HG2 ILE 31 3HG2 ILE 31 7.511 -0.058 -0.436
223 1HD1 ILE 31 3HD1 ILE 31 8.115 -3.751 -0.889
224 2HD1 ILE 31 2HD1 ILE 31 9.659 -4.129 -1.639
225 3HD1 ILE 31 1HD1 ILE 31 9.285 -4.739 -0.037
226 H ILE 32 H ILE 32 10.696 0.784 -2.576
227 HA ILE 32 HA ILE 32 8.799 2.806 -2.746
228 HB ILE 32 HB ILE 32 11.309 2.726 -4.370
229 1HG1 ILE 32 2HG1 ILE 32 12.093 2.014 -2.222
230 2HG1 ILE 32 1HG1 ILE 32 12.476 3.712 -2.327
231 1HG2 ILE 32 3HG2 ILE 32 9.726 4.996 -3.118
232 2HG2 ILE 32 2HG2 ILE 32 11.340 5.208 -3.781
233 3HG2 ILE 32 1HG2 ILE 32 10.023 4.706 -4.823
234 1HD1 ILE 32 3HD1 ILE 32 10.261 4.155 -1.057
235 2HD1 ILE 32 2HD1 ILE 32 10.226 2.428 -0.736
236 3HD1 ILE 32 1HD1 ILE 32 11.553 3.405 -0.139
237 H GLY 33 H GLY 33 10.349 1.152 -5.432
238 1HA GLY 33 2HA GLY 33 8.537 2.238 -7.448
239 2HA GLY 33 1HA GLY 33 9.781 1.015 -7.716
240 H LEU 34 H LEU 34 8.976 -0.815 -5.776
241 HA LEU 34 HA LEU 34 7.687 -2.686 -5.493
242 1HB LEU 34 2HB LEU 34 5.987 -0.440 -5.244
243 2HB LEU 34 1HB LEU 34 5.091 -1.462 -6.341
244 HG LEU 34 HG LEU 34 6.288 -2.518 -3.735
245 1HD1 LEU 34 2HD1 LEU 34 3.492 -1.392 -4.194
246 2HD1 LEU 34 1HD1 LEU 34 4.032 -2.210 -2.735
247 3HD1 LEU 34 3HD1 LEU 34 4.739 -0.670 -3.188
248 1HD2 LEU 34 1HD2 LEU 34 4.054 -3.523 -5.563
249 2HD2 LEU 34 3HD2 LEU 34 5.648 -4.241 -5.396
250 3HD2 LEU 34 2HD2 LEU 34 4.527 -4.278 -4.049
251 1HN SME 35 HN MEO 35 9.011 -2.467 -7.749
252 HA SME 35 HA MEO 35 7.652 -4.272 -9.544
253 1HB SME 35 1HB MEO 35 8.251 -1.381 -10.307
254 2HB SME 35 2HB MEO 35 6.769 -2.270 -10.575
255 1HG SME 35 1HG MEO 35 9.393 -2.578 -12.086
256 2HG SME 35 2HG MEO 35 7.855 -2.037 -12.727
257 1HE SME 35 1HE MEO 35 5.740 -5.079 -13.187
258 2HE SME 35 2HE MEO 35 6.138 -3.451 -13.731
259 3HE SME 35 3HE MEO 35 5.627 -3.727 -12.064
260 H VAL 36 H VAL 36 9.140 -5.668 -10.193
261 HA VAL 36 HA VAL 36 11.823 -5.604 -9.386
262 HB VAL 36 HB VAL 36 10.310 -7.563 -10.138
263 1HG1 VAL 36 3HG1 VAL 36 9.848 -6.667 -12.447
264 2HG1 VAL 36 2HG1 VAL 36 11.510 -7.046 -12.880
265 3HG1 VAL 36 1HG1 VAL 36 10.405 -8.328 -12.420
266 1HG2 VAL 36 2HG2 VAL 36 12.683 -7.862 -9.436
267 2HG2 VAL 36 1HG2 VAL 36 12.274 -8.973 -10.731
268 3HG2 VAL 36 3HG2 VAL 36 13.214 -7.530 -11.076
269 H GLY 37 H GLY 37 10.339 -4.620 -12.322
270 1HA GLY 37 2HA GLY 37 11.113 -2.932 -13.839
271 2HA GLY 37 1HA GLY 37 12.733 -3.077 -13.157
272 H GLY 38 H GLY 38 10.431 -5.368 -14.566
273 1HA GLY 38 2HA GLY 38 11.970 -5.862 -16.932
274 2HA GLY 38 1HA GLY 38 12.158 -7.162 -15.748
275 H VAL 39 H VAL 39 9.385 -5.141 -16.503
276 HA VAL 39 HA VAL 39 7.685 -7.494 -16.818
277 HB VAL 39 HB VAL 39 7.039 -5.536 -15.353
278 1HG1 VAL 39 3HG1 VAL 39 8.017 -3.741 -16.829
279 2HG1 VAL 39 2HG1 VAL 39 6.680 -3.967 -17.942
280 3HG1 VAL 39 1HG1 VAL 39 6.380 -3.397 -16.311
281 1HG2 VAL 39 3HG2 VAL 39 5.322 -7.070 -16.616
282 2HG2 VAL 39 2HG2 VAL 39 4.754 -5.624 -15.804
283 3HG2 VAL 39 1HG2 VAL 39 4.968 -5.622 -17.544
284 H VAL 40 H VAL 40 9.665 -6.768 -18.733
285 HA VAL 40 HA VAL 40 8.647 -5.614 -21.096
286 HB VAL 40 HB VAL 40 11.055 -5.981 -20.634
287 1HG1 VAL 40 1HG1 VAL 40 10.750 -8.314 -19.621
288 2HG1 VAL 40 3HG1 VAL 40 10.636 -8.932 -21.260
289 3HG1 VAL 40 2HG1 VAL 40 12.108 -8.146 -20.716
290 1HG2 VAL 40 1HG2 VAL 40 10.205 -5.739 -23.018
291 2HG2 VAL 40 3HG2 VAL 40 11.753 -6.550 -22.874
292 3HG2 VAL 40 2HG2 VAL 40 10.298 -7.485 -23.169
No H/Q in entry = 292
Start of MODEL 3
1 1H ASP 1 1H ASP 1 -6.932 22.259 -10.262
2 2H ASP 1 3H ASP 1 -5.938 23.633 -10.349
3 3H ASP 1 2H ASP 1 -6.900 23.196 -11.678
4 HA ASP 1 HA ASP 1 -5.302 21.960 -12.494
5 1HB ASP 1 2HB ASP 1 -3.787 23.620 -11.377
6 2HB ASP 1 1HB ASP 1 -3.780 22.635 -9.925
7 H ALA 2 H ALA 2 -4.281 19.910 -12.407
8 HA ALA 2 HA ALA 2 -4.389 17.621 -12.034
9 1HB ALA 2 3HB ALA 2 -2.821 18.405 -10.231
10 2HB ALA 2 2HB ALA 2 -4.174 18.548 -9.123
11 3HB ALA 2 1HB ALA 2 -3.703 16.972 -9.739
12 H GLU 3 H GLU 3 -6.875 18.771 -12.350
13 HA GLU 3 HA GLU 3 -8.683 17.513 -10.417
14 1HB GLU 3 2HB GLU 3 -8.906 19.918 -11.527
15 2HB GLU 3 1HB GLU 3 -9.590 19.054 -12.882
16 1HG GLU 3 2HG GLU 3 -10.600 18.782 -10.007
17 2HG GLU 3 1HG GLU 3 -11.309 19.864 -11.191
18 H PHE 4 H PHE 4 -7.628 15.471 -11.230
19 HA PHE 4 HA PHE 4 -8.364 14.430 -13.813
20 1HB PHE 4 2HB PHE 4 -7.486 12.272 -12.874
21 2HB PHE 4 1HB PHE 4 -6.364 13.598 -12.650
22 HD1 PHE 4 HD1 PHE 4 -8.708 11.314 -10.957
23 HD2 PHE 4 HD2 PHE 4 -5.960 14.524 -10.403
24 HE1 PHE 4 HE1 PHE 4 -8.719 10.910 -8.540
25 HE2 PHE 4 HE2 PHE 4 -5.975 14.117 -7.985
26 HZ PHE 4 HZ PHE 4 -7.355 12.310 -7.047
27 H ARG 5 H ARG 5 -9.933 12.923 -14.319
28 HA ARG 5 HA ARG 5 -12.359 12.943 -12.708
29 1HB ARG 5 2HB ARG 5 -11.645 11.891 -15.464
30 2HB ARG 5 1HB ARG 5 -13.261 11.804 -14.778
31 1HG ARG 5 2HG ARG 5 -13.339 14.259 -14.543
32 2HG ARG 5 1HG ARG 5 -11.713 14.399 -15.185
33 1HD ARG 5 2HD ARG 5 -14.009 13.130 -16.742
34 2HD ARG 5 1HD ARG 5 -13.535 14.820 -16.896
35 HE ARG 5 HE ARG 5 -11.225 13.176 -17.241
36 1HH1 ARG 5 2HH1 ARG 5 -14.200 14.049 -18.788
37 2HH1 ARG 5 1HH1 ARG 5 -13.585 13.779 -20.384
38 1HH2 ARG 5 1HH2 ARG 5 -10.423 12.825 -19.258
39 2HH2 ARG 5 2HH2 ARG 5 -11.416 13.076 -20.654
40 H HIS 6 H HIS 6 -12.335 10.259 -14.359
41 HA HIS 6 HA HIS 6 -12.874 8.083 -13.488
42 1HB HIS 6 2HB HIS 6 -11.055 8.032 -15.016
43 2HB HIS 6 1HB HIS 6 -9.965 8.579 -13.769
44 HD1 HIS 6 HD1 HIS 6 -12.334 5.640 -13.931
45 HD2 HIS 6 HD2 HIS 6 -8.408 6.372 -13.089
46 HE1 HIS 6 HE1 HIS 6 -11.343 3.470 -13.307
47 H ASP 7 H ASP 7 -13.601 9.132 -11.404
48 HA ASP 7 HA ASP 7 -12.069 9.036 -9.034
49 1HB ASP 7 2HB ASP 7 -15.049 9.055 -9.614
50 2HB ASP 7 1HB ASP 7 -14.435 9.101 -7.972
51 H SER 8 H SER 8 -11.024 7.163 -8.778
52 HA SER 8 HA SER 8 -12.569 4.684 -8.281
53 1HB SER 8 2HB SER 8 -9.643 5.022 -9.161
54 2HB SER 8 1HB SER 8 -10.465 3.469 -8.929
55 HG SER 8 HG SER 8 -11.282 3.748 -10.829
56 H GLY 9 H GLY 9 -12.631 4.144 -6.175
57 1HA GLY 9 2HA GLY 9 -12.095 4.033 -3.888
58 2HA GLY 9 1HA GLY 9 -10.406 4.274 -4.362
59 H TYR 10 H TYR 10 -13.186 6.289 -4.967
60 HA TYR 10 HA TYR 10 -11.916 8.618 -3.700
61 1HB TYR 10 2HB TYR 10 -13.072 8.261 -6.210
62 2HB TYR 10 1HB TYR 10 -14.418 8.955 -5.340
63 HD1 TYR 10 HD2 TYR 10 -14.155 11.229 -4.266
64 HD2 TYR 10 HD1 TYR 10 -11.144 9.575 -6.786
65 HE1 TYR 10 HE2 TYR 10 -13.156 13.448 -4.536
66 HE2 TYR 10 HE1 TYR 10 -10.151 11.797 -7.050
67 HH TYR 10 HH TYR 10 -11.363 14.397 -6.776
68 H GLU 11 H GLU 11 -12.600 7.068 -1.837
69 HA GLU 11 HA GLU 11 -14.790 8.393 -0.533
70 1HB GLU 11 2HB GLU 11 -15.430 6.149 -2.096
71 2HB GLU 11 1HB GLU 11 -15.322 5.450 -0.498
72 1HG GLU 11 2HG GLU 11 -16.911 7.992 -1.010
73 2HG GLU 11 1HG GLU 11 -17.619 6.399 -1.208
74 H VAL 12 H VAL 12 -13.254 5.198 -0.133
75 HA VAL 12 HA VAL 12 -12.060 6.144 2.385
76 HB VAL 12 HB VAL 12 -13.388 3.435 2.061
77 1HG1 VAL 12 3HG1 VAL 12 -12.517 5.020 4.531
78 2HG1 VAL 12 2HG1 VAL 12 -13.345 3.474 4.594
79 3HG1 VAL 12 1HG1 VAL 12 -11.736 3.576 3.913
80 1HG2 VAL 12 1HG2 VAL 12 -14.615 6.004 3.150
81 2HG2 VAL 12 3HG2 VAL 12 -15.227 4.979 1.860
82 3HG2 VAL 12 2HG2 VAL 12 -15.267 4.414 3.516
83 H HIS 13 H HIS 13 -10.307 4.860 3.107
84 HA HIS 13 HA HIS 13 -8.961 3.181 1.091
85 1HB HIS 13 2HB HIS 13 -8.084 5.528 0.997
86 2HB HIS 13 1HB HIS 13 -7.749 5.469 2.717
87 HD1 HIS 13 HD1 HIS 13 -5.283 5.987 1.629
88 HD2 HIS 13 HD2 HIS 13 -6.594 2.143 1.201
89 HE1 HIS 13 HE1 HIS 13 -3.292 4.624 1.131
90 H HIS 14 H HIS 14 -10.439 2.159 3.074
91 HA HIS 14 HA HIS 14 -8.782 1.559 5.419
92 1HB HIS 14 2HB HIS 14 -10.819 0.457 6.235
93 2HB HIS 14 1HB HIS 14 -11.287 1.993 5.532
94 HD1 HIS 14 HD1 HIS 14 -12.029 -1.497 5.276
95 HD2 HIS 14 HD2 HIS 14 -12.237 1.649 2.686
96 HE1 HIS 14 HE1 HIS 14 -13.499 -2.212 3.428
97 H GLN 15 H GLN 15 -7.705 0.705 2.980
98 HA GLN 15 HA GLN 15 -7.564 -2.207 3.440
99 1HB GLN 15 2HB GLN 15 -7.990 -0.774 0.793
100 2HB GLN 15 1HB GLN 15 -7.389 -2.420 0.856
101 1HG GLN 15 2HG GLN 15 -9.426 -3.305 1.490
102 2HG GLN 15 1HG GLN 15 -9.894 -1.901 2.432
103 1HE2 GLN 15 2HE2 GLN 15 -11.597 -0.345 -0.214
104 2HE2 GLN 15 1HE2 GLN 15 -11.106 -0.263 1.409
105 H LYS 16 H LYS 16 -6.046 -0.397 0.864
106 HA LYS 16 HA LYS 16 -3.484 -1.424 1.194
107 1HB LYS 16 2HB LYS 16 -4.672 0.953 -0.201
108 2HB LYS 16 1HB LYS 16 -2.932 0.937 -0.035
109 1HG LYS 16 2HG LYS 16 -3.595 -0.102 -2.161
110 2HG LYS 16 1HG LYS 16 -2.815 -1.278 -1.130
111 1HD LYS 16 2HD LYS 16 -4.750 -2.343 -2.126
112 2HD LYS 16 1HD LYS 16 -5.121 -2.122 -0.434
113 1HE LYS 16 2HE LYS 16 -6.407 -0.018 -1.048
114 2HE LYS 16 1HE LYS 16 -6.058 -0.346 -2.738
115 1HZ LYS 16 3HZ LYS 16 -7.098 -2.669 -1.587
116 2HZ LYS 16 2HZ LYS 16 -8.107 -1.373 -1.160
117 3HZ LYS 16 1HZ LYS 16 -7.775 -1.685 -2.794
118 H LEU 17 H LEU 17 -4.995 0.929 3.099
119 HA LEU 17 HA LEU 17 -2.962 2.599 3.999
120 1HB LEU 17 2HB LEU 17 -5.571 2.014 4.820
121 2HB LEU 17 1HB LEU 17 -4.649 1.500 6.202
122 HG LEU 17 HG LEU 17 -5.314 3.817 6.516
123 1HD1 LEU 17 3HD1 LEU 17 -2.984 3.087 7.264
124 2HD1 LEU 17 2HD1 LEU 17 -2.349 3.891 5.835
125 3HD1 LEU 17 1HD1 LEU 17 -3.200 4.816 7.061
126 1HD2 LEU 17 1HD2 LEU 17 -5.528 4.356 4.051
127 2HD2 LEU 17 3HD2 LEU 17 -4.771 5.613 5.006
128 3HD2 LEU 17 2HD2 LEU 17 -3.786 4.575 3.996
129 H VAL 18 H VAL 18 -3.497 -0.785 4.821
130 HA VAL 18 HA VAL 18 -1.750 -1.002 6.996
131 HB VAL 18 HB VAL 18 -1.756 -3.459 6.379
132 1HG1 VAL 18 3HG1 VAL 18 -3.665 -2.355 7.583
133 2HG1 VAL 18 2HG1 VAL 18 -4.458 -2.109 6.034
134 3HG1 VAL 18 1HG1 VAL 18 -4.171 -3.740 6.622
135 1HG2 VAL 18 1HG2 VAL 18 -2.826 -2.379 3.767
136 2HG2 VAL 18 3HG2 VAL 18 -1.734 -3.719 4.066
137 3HG2 VAL 18 2HG2 VAL 18 -3.450 -3.908 4.352
138 H PHE 19 H PHE 19 -1.068 -1.867 3.602
139 HA PHE 19 HA PHE 19 1.691 -2.288 3.874
140 1HB PHE 19 2HB PHE 19 0.325 -1.160 1.393
141 2HB PHE 19 1HB PHE 19 1.752 -2.179 1.429
142 HD1 PHE 19 HD2 PHE 19 1.270 -4.475 2.938
143 HD2 PHE 19 HD1 PHE 19 -1.613 -2.243 0.736
144 HE1 PHE 19 HE2 PHE 19 -0.164 -6.459 2.798
145 HE2 PHE 19 HE1 PHE 19 -3.046 -4.226 0.598
146 HZ PHE 19 HZ PHE 19 -2.325 -6.341 1.630
147 H PHE 20 H PHE 20 -0.120 0.598 3.155
148 HA PHE 20 HA PHE 20 1.777 2.439 2.462
149 1HB PHE 20 2HB PHE 20 -0.904 2.505 3.229
150 2HB PHE 20 1HB PHE 20 -0.158 3.534 4.435
151 HD1 PHE 20 HD1 PHE 20 1.125 5.566 3.703
152 HD2 PHE 20 HD2 PHE 20 -1.029 3.162 0.915
153 HE1 PHE 20 HE1 PHE 20 1.242 7.372 2.048
154 HE2 PHE 20 HE2 PHE 20 -0.910 4.973 -0.733
155 HZ PHE 20 HZ PHE 20 0.225 7.081 -0.173
156 H ALA 21 H ALA 21 1.517 1.020 5.608
157 HA ALA 21 HA ALA 21 3.636 2.827 6.582
158 1HB ALA 21 2HB ALA 21 1.390 1.475 8.159
159 2HB ALA 21 1HB ALA 21 2.672 2.427 8.893
160 3HB ALA 21 3HB ALA 21 1.505 3.197 7.831
161 H GLU 22 H GLU 22 2.346 -0.437 6.618
162 HA GLU 22 HA GLU 22 4.550 -1.544 8.053
163 1HB GLU 22 2HB GLU 22 2.502 -2.801 6.269
164 2HB GLU 22 1HB GLU 22 3.538 -3.710 7.345
165 1HG GLU 22 2HG GLU 22 2.441 -2.975 9.204
166 2HG GLU 22 1HG GLU 22 1.893 -1.467 8.522
167 H ASP 23 H ASP 23 3.586 -1.673 4.646
168 HA ASP 23 HA ASP 23 5.959 -2.969 3.801
169 1HB ASP 23 2HB ASP 23 3.575 -2.312 2.584
170 2HB ASP 23 1HB ASP 23 4.678 -1.184 1.828
171 H VAL 24 H VAL 24 5.278 0.505 4.076
172 HA VAL 24 HA VAL 24 7.591 1.305 2.608
173 HB VAL 24 HB VAL 24 7.403 3.437 3.916
174 1HG1 VAL 24 3HG1 VAL 24 5.944 2.956 1.945
175 2HG1 VAL 24 2HG1 VAL 24 4.732 2.285 3.031
176 3HG1 VAL 24 1HG1 VAL 24 5.135 3.997 3.115
177 1HG2 VAL 24 3HG2 VAL 24 5.234 1.991 5.402
178 2HG2 VAL 24 2HG2 VAL 24 6.733 2.570 6.127
179 3HG2 VAL 24 1HG2 VAL 24 5.541 3.713 5.531
180 H GLY 25 H GLY 25 6.950 0.414 5.883
181 1HA GLY 25 2HA GLY 25 9.505 0.888 7.047
182 2HA GLY 25 1HA GLY 25 8.321 -0.275 7.660
183 H SER 26 H SER 26 8.027 -2.086 5.791
184 HA SER 26 HA SER 26 10.621 -3.431 5.582
185 1HB SER 26 2HB SER 26 7.757 -4.446 5.140
186 2HB SER 26 1HB SER 26 9.206 -5.467 5.184
187 HG SER 26 HG SER 26 9.103 -5.364 7.259
188 H ASN 27 H ASN 27 10.619 -1.378 3.972
189 HA ASN 27 HA ASN 27 9.478 -1.419 1.451
190 1HB ASN 27 2HB ASN 27 11.857 -0.306 0.817
191 2HB ASN 27 1HB ASN 27 10.671 0.505 1.802
192 1HD2 ASN 27 2HD2 ASN 27 13.126 0.887 4.206
193 2HD2 ASN 27 1HD2 ASN 27 11.874 1.587 3.302
194 H LYS 28 H LYS 28 10.058 -2.142 -0.529
195 HA LYS 28 HA LYS 28 12.287 -3.860 -1.072
196 1HB LYS 28 2HB LYS 28 10.766 -5.925 -1.571
197 2HB LYS 28 1HB LYS 28 11.046 -5.575 0.121
198 1HG LYS 28 2HG LYS 28 8.864 -4.357 0.244
199 2HG LYS 28 1HG LYS 28 8.574 -4.704 -1.451
200 1HD LYS 28 2HD LYS 28 8.356 -7.050 -1.048
201 2HD LYS 28 1HD LYS 28 9.100 -6.942 0.537
202 1HE LYS 28 2HE LYS 28 6.486 -5.519 -0.092
203 2HE LYS 28 1HE LYS 28 6.532 -7.173 0.498
204 1HZ LYS 28 1HZ LYS 28 8.222 -5.643 2.105
205 2HZ LYS 28 3HZ LYS 28 6.750 -4.812 1.966
206 3HZ LYS 28 2HZ LYS 28 6.769 -6.413 2.528
207 H GLY 29 H GLY 29 11.347 -1.552 -2.157
208 1HA GLY 29 2HA GLY 29 11.369 -2.044 -4.922
209 2HA GLY 29 1HA GLY 29 9.687 -1.789 -4.431
210 H ALA 30 H ALA 30 12.677 -0.359 -3.251
211 HA ALA 30 HA ALA 30 12.230 2.212 -4.474
212 1HB ALA 30 1HB ALA 30 11.817 1.872 -1.465
213 2HB ALA 30 3HB ALA 30 11.984 3.433 -2.254
214 3HB ALA 30 2HB ALA 30 10.604 2.410 -2.616
215 H ILE 31 H ILE 31 13.808 0.484 -1.851
216 HA ILE 31 HA ILE 31 16.062 1.940 -1.316
217 HB ILE 31 HB ILE 31 16.118 -1.004 -1.771
218 1HG1 ILE 31 2HG1 ILE 31 15.553 -0.581 0.984
219 2HG1 ILE 31 1HG1 ILE 31 14.498 0.545 0.168
220 1HG2 ILE 31 3HG2 ILE 31 17.663 0.824 0.110
221 2HG2 ILE 31 2HG2 ILE 31 17.705 -0.928 0.229
222 3HG2 ILE 31 1HG2 ILE 31 18.319 -0.136 -1.207
223 1HD1 ILE 31 1HD1 ILE 31 14.681 -2.349 -0.741
224 2HD1 ILE 31 3HD1 ILE 31 13.644 -1.873 0.586
225 3HD1 ILE 31 2HD1 ILE 31 13.376 -1.204 -1.015
226 H ILE 32 H ILE 32 15.486 0.100 -4.186
227 HA ILE 32 HA ILE 32 17.996 -0.209 -5.309
228 HB ILE 32 HB ILE 32 15.880 -1.175 -6.151
229 1HG1 ILE 32 2HG1 ILE 32 17.089 0.390 -8.463
230 2HG1 ILE 32 1HG1 ILE 32 18.034 -0.827 -7.625
231 1HG2 ILE 32 1HG2 ILE 32 14.491 0.921 -5.946
232 2HG2 ILE 32 3HG2 ILE 32 15.307 1.569 -7.359
233 3HG2 ILE 32 2HG2 ILE 32 14.309 0.134 -7.500
234 1HD1 ILE 32 2HD1 ILE 32 16.224 -2.509 -8.086
235 2HD1 ILE 32 1HD1 ILE 32 15.368 -1.290 -9.019
236 3HD1 ILE 32 3HD1 ILE 32 16.942 -1.857 -9.548
237 H GLY 33 H GLY 33 16.215 2.807 -5.129
238 1HA GLY 33 2HA GLY 33 18.555 4.257 -6.130
239 2HA GLY 33 1HA GLY 33 17.144 4.361 -7.175
240 H LEU 34 H LEU 34 15.944 4.076 -4.176
241 HA LEU 34 HA LEU 34 14.611 5.528 -2.976
242 1HB LEU 34 2HB LEU 34 15.980 6.721 -1.362
243 2HB LEU 34 1HB LEU 34 16.756 5.210 -1.746
244 HG LEU 34 HG LEU 34 17.664 7.482 -3.473
245 1HD1 LEU 34 1HD1 LEU 34 18.279 7.513 -0.499
246 2HD1 LEU 34 3HD1 LEU 34 19.058 8.515 -1.714
247 3HD1 LEU 34 2HD1 LEU 34 17.350 8.721 -1.373
248 1HD2 LEU 34 3HD2 LEU 34 18.716 5.144 -3.332
249 2HD2 LEU 34 2HD2 LEU 34 19.837 6.474 -3.111
250 3HD2 LEU 34 1HD2 LEU 34 19.262 5.568 -1.721
251 1HN SME 35 HN MEO 35 14.667 6.393 -5.602
252 HA SME 35 HA MEO 35 14.243 8.192 -7.010
253 1HB SME 35 1HB MEO 35 12.460 9.700 -6.049
254 2HB SME 35 2HB MEO 35 12.806 9.071 -4.450
255 1HG SME 35 1HG MEO 35 12.114 7.140 -6.689
256 2HG SME 35 2HG MEO 35 10.839 8.024 -5.870
257 1HE SME 35 1HE MEO 35 9.585 6.845 -4.079
258 2HE SME 35 2HE MEO 35 10.060 5.200 -3.657
259 3HE SME 35 3HE MEO 35 9.892 5.660 -5.350
260 H VAL 36 H VAL 36 16.727 8.442 -5.739
261 HA VAL 36 HA VAL 36 17.277 11.019 -4.712
262 HB VAL 36 HB VAL 36 18.757 8.984 -4.603
263 1HG1 VAL 36 2HG1 VAL 36 18.520 8.365 -7.063
264 2HG1 VAL 36 1HG1 VAL 36 19.682 9.635 -7.415
265 3HG1 VAL 36 3HG1 VAL 36 20.143 8.275 -6.410
266 1HG2 VAL 36 2HG2 VAL 36 19.649 11.261 -4.085
267 2HG2 VAL 36 1HG2 VAL 36 20.890 10.218 -4.759
268 3HG2 VAL 36 3HG2 VAL 36 20.133 11.444 -5.764
269 H GLY 37 H GLY 37 17.289 9.698 -7.886
270 1HA GLY 37 2HA GLY 37 16.774 12.260 -9.202
271 2HA GLY 37 1HA GLY 37 18.380 11.612 -9.551
272 H GLY 38 H GLY 38 17.705 8.888 -9.512
273 1HA GLY 38 2HA GLY 38 17.050 7.194 -10.943
274 2HA GLY 38 1HA GLY 38 15.529 8.071 -11.082
275 H VAL 39 H VAL 39 18.744 9.069 -12.025
276 HA VAL 39 HA VAL 39 17.847 9.525 -14.788
277 HB VAL 39 HB VAL 39 20.512 10.424 -13.590
278 1HG1 VAL 39 2HG1 VAL 39 18.701 11.588 -15.761
279 2HG1 VAL 39 1HG1 VAL 39 20.219 12.300 -15.236
280 3HG1 VAL 39 3HG1 VAL 39 20.213 10.745 -16.043
281 1HG2 VAL 39 3HG2 VAL 39 17.788 11.743 -13.236
282 2HG2 VAL 39 2HG2 VAL 39 18.934 11.291 -11.983
283 3HG2 VAL 39 1HG2 VAL 39 19.294 12.629 -13.056
284 H VAL 40 H VAL 40 18.307 6.964 -13.796
285 HA VAL 40 HA VAL 40 20.795 5.810 -14.419
286 HB VAL 40 HB VAL 40 19.007 4.699 -13.104
287 1HG1 VAL 40 3HG1 VAL 40 17.093 5.450 -14.632
288 2HG1 VAL 40 2HG1 VAL 40 17.550 4.147 -15.718
289 3HG1 VAL 40 1HG1 VAL 40 17.011 3.785 -14.089
290 1HG2 VAL 40 3HG2 VAL 40 20.820 3.343 -14.259
291 2HG2 VAL 40 2HG2 VAL 40 19.359 2.445 -13.891
292 3HG2 VAL 40 1HG2 VAL 40 19.664 2.987 -15.533
No H/Q in entry = 292
Start of MODEL 4
1 1H ASP 1 3H ASP 1 1.483 19.716 8.340
2 2H ASP 1 2H ASP 1 2.761 20.245 9.324
3 3H ASP 1 1H ASP 1 2.935 18.836 8.393
4 HA ASP 1 HA ASP 1 2.152 17.597 10.012
5 1HB ASP 1 2HB ASP 1 1.719 20.255 11.480
6 2HB ASP 1 1HB ASP 1 1.742 18.678 12.252
7 H ALA 2 H ALA 2 0.410 17.988 8.044
8 HA ALA 2 HA ALA 2 -2.145 17.499 9.284
9 1HB ALA 2 2HB ALA 2 -1.773 19.986 7.526
10 2HB ALA 2 1HB ALA 2 -3.335 19.362 8.039
11 3HB ALA 2 3HB ALA 2 -2.207 19.987 9.229
12 H GLU 3 H GLU 3 -1.147 15.628 8.161
13 HA GLU 3 HA GLU 3 -0.833 14.178 6.404
14 1HB GLU 3 2HB GLU 3 -3.697 14.955 5.787
15 2HB GLU 3 1HB GLU 3 -2.928 13.377 5.728
16 1HG GLU 3 2HG GLU 3 -3.639 14.940 8.239
17 2HG GLU 3 1HG GLU 3 -4.360 13.444 7.687
18 H PHE 4 H PHE 4 0.668 15.465 5.199
19 HA PHE 4 HA PHE 4 0.032 17.242 3.108
20 1HB PHE 4 2HB PHE 4 2.325 16.795 2.321
21 2HB PHE 4 1HB PHE 4 2.314 16.886 4.070
22 HD1 PHE 4 HD2 PHE 4 2.512 14.794 5.433
23 HD2 PHE 4 HD1 PHE 4 2.802 14.693 1.180
24 HE1 PHE 4 HE2 PHE 4 3.484 12.547 5.549
25 HE2 PHE 4 HE1 PHE 4 3.775 12.446 1.304
26 HZ PHE 4 HZ PHE 4 4.119 11.368 3.487
27 H ARG 5 H ARG 5 -0.261 16.986 0.922
28 HA ARG 5 HA ARG 5 -1.242 16.049 -0.963
29 1HB ARG 5 2HB ARG 5 1.164 15.176 -0.961
30 2HB ARG 5 1HB ARG 5 0.564 13.705 -0.234
31 1HG ARG 5 2HG ARG 5 -1.142 13.925 -2.403
32 2HG ARG 5 1HG ARG 5 0.267 14.738 -3.040
33 1HD ARG 5 2HD ARG 5 1.369 12.757 -3.344
34 2HD ARG 5 1HD ARG 5 1.051 12.236 -1.701
35 HE ARG 5 HE ARG 5 -0.778 11.005 -2.470
36 1HH1 ARG 5 2HH1 ARG 5 0.209 13.313 -4.857
37 2HH1 ARG 5 1HH1 ARG 5 -0.846 12.675 -6.074
38 1HH2 ARG 5 1HH2 ARG 5 -2.126 10.187 -3.987
39 2HH2 ARG 5 2HH2 ARG 5 -2.190 10.878 -5.573
40 H HIS 6 H HIS 6 -3.076 15.946 0.723
41 HA HIS 6 HA HIS 6 -4.013 13.310 1.465
42 1HB HIS 6 2HB HIS 6 -4.284 15.619 2.694
43 2HB HIS 6 1HB HIS 6 -5.657 15.788 1.622
44 HD1 HIS 6 HD1 HIS 6 -4.445 13.647 4.395
45 HD2 HIS 6 HD2 HIS 6 -7.857 14.103 2.204
46 HE1 HIS 6 HE1 HIS 6 -6.178 12.306 5.525
47 H ASP 7 H ASP 7 -3.747 13.007 -1.071
48 HA ASP 7 HA ASP 7 -5.705 13.855 -2.883
49 1HB ASP 7 2HB ASP 7 -4.969 11.855 -4.213
50 2HB ASP 7 1HB ASP 7 -3.618 12.778 -3.582
51 H SER 8 H SER 8 -7.528 12.883 -3.693
52 HA SER 8 HA SER 8 -9.548 11.767 -3.710
53 1HB SER 8 2HB SER 8 -8.031 9.676 -3.488
54 2HB SER 8 1HB SER 8 -8.387 9.714 -1.754
55 HG SER 8 HG SER 8 -10.268 8.970 -2.201
56 H GLY 9 H GLY 9 -11.292 12.479 -2.740
57 1HA GLY 9 2HA GLY 9 -11.273 13.681 -0.126
58 2HA GLY 9 1HA GLY 9 -12.702 13.408 -1.120
59 H TYR 10 H TYR 10 -13.078 10.885 -1.348
60 HA TYR 10 HA TYR 10 -12.707 9.432 1.151
61 1HB TYR 10 2HB TYR 10 -14.826 10.932 1.201
62 2HB TYR 10 1HB TYR 10 -15.481 9.849 -0.012
63 HD1 TYR 10 HD2 TYR 10 -14.258 10.049 3.493
64 HD2 TYR 10 HD1 TYR 10 -16.245 7.629 0.605
65 HE1 TYR 10 HE2 TYR 10 -14.931 8.492 5.258
66 HE2 TYR 10 HE1 TYR 10 -16.916 6.075 2.373
67 HH TYR 10 HH TYR 10 -15.658 5.646 5.025
68 H GLU 11 H GLU 11 -13.055 9.641 -2.115
69 HA GLU 11 HA GLU 11 -13.886 6.971 -2.765
70 1HB GLU 11 2HB GLU 11 -12.567 9.108 -4.456
71 2HB GLU 11 1HB GLU 11 -13.455 7.726 -5.075
72 1HG GLU 11 2HG GLU 11 -15.123 9.393 -5.155
73 2HG GLU 11 1HG GLU 11 -15.435 8.717 -3.567
74 H VAL 12 H VAL 12 -11.366 7.513 -1.116
75 HA VAL 12 HA VAL 12 -9.126 6.701 -2.676
76 HB VAL 12 HB VAL 12 -9.098 7.974 -0.509
77 1HG1 VAL 12 3HG1 VAL 12 -10.768 6.537 0.705
78 2HG1 VAL 12 2HG1 VAL 12 -9.533 5.294 0.849
79 3HG1 VAL 12 1HG1 VAL 12 -9.309 6.849 1.629
80 1HG2 VAL 12 3HG2 VAL 12 -7.086 6.615 -1.484
81 2HG2 VAL 12 2HG2 VAL 12 -6.980 7.292 0.131
82 3HG2 VAL 12 1HG2 VAL 12 -7.327 5.586 -0.078
83 H HIS 13 H HIS 13 -7.877 4.714 -1.650
84 HA HIS 13 HA HIS 13 -9.567 2.333 -2.057
85 1HB HIS 13 2HB HIS 13 -7.518 3.003 -3.599
86 2HB HIS 13 1HB HIS 13 -6.534 2.344 -2.302
87 HD1 HIS 13 HD1 HIS 13 -7.089 1.053 -5.185
88 HD2 HIS 13 HD2 HIS 13 -8.697 -0.241 -1.664
89 HE1 HIS 13 HE1 HIS 13 -7.721 -1.306 -5.535
90 H HIS 14 H HIS 14 -9.715 3.456 0.272
91 HA HIS 14 HA HIS 14 -8.038 2.921 2.416
92 1HB HIS 14 2HB HIS 14 -10.255 2.713 3.750
93 2HB HIS 14 1HB HIS 14 -10.036 4.190 2.835
94 HD1 HIS 14 HD1 HIS 14 -12.076 1.110 2.846
95 HD2 HIS 14 HD2 HIS 14 -11.736 4.468 0.550
96 HE1 HIS 14 HE1 HIS 14 -14.035 1.131 1.349
97 H GLN 15 H GLN 15 -6.944 1.075 2.166
98 HA GLN 15 HA GLN 15 -7.767 -1.278 3.455
99 1HB GLN 15 2HB GLN 15 -9.114 -1.889 1.518
100 2HB GLN 15 1HB GLN 15 -7.937 -1.229 0.404
101 1HG GLN 15 2HG GLN 15 -6.357 -3.106 1.047
102 2HG GLN 15 1HG GLN 15 -7.650 -3.783 2.033
103 1HE2 GLN 15 2HE2 GLN 15 -9.391 -5.103 -0.741
104 2HE2 GLN 15 1HE2 GLN 15 -9.357 -4.880 0.942
105 H LYS 16 H LYS 16 -5.919 0.046 0.810
106 HA LYS 16 HA LYS 16 -3.523 -1.427 1.190
107 1HB LYS 16 2HB LYS 16 -4.302 1.101 -0.271
108 2HB LYS 16 1HB LYS 16 -2.596 0.765 -0.080
109 1HG LYS 16 2HG LYS 16 -3.212 -0.220 -2.163
110 2HG LYS 16 1HG LYS 16 -3.009 -1.555 -1.048
111 1HD LYS 16 2HD LYS 16 -5.446 -1.729 -0.728
112 2HD LYS 16 1HD LYS 16 -5.713 -0.291 -1.700
113 1HE LYS 16 2HE LYS 16 -4.399 -2.844 -2.738
114 2HE LYS 16 1HE LYS 16 -6.092 -2.442 -2.967
115 1HZ LYS 16 2HZ LYS 16 -4.580 -0.235 -3.747
116 2HZ LYS 16 1HZ LYS 16 -3.900 -1.614 -4.472
117 3HZ LYS 16 3HZ LYS 16 -5.541 -1.251 -4.709
118 H LEU 17 H LEU 17 -4.911 0.980 3.034
119 HA LEU 17 HA LEU 17 -2.913 2.604 4.043
120 1HB LEU 17 2HB LEU 17 -4.241 2.614 6.185
121 2HB LEU 17 1HB LEU 17 -5.203 2.865 4.751
122 HG LEU 17 HG LEU 17 -5.265 0.047 5.054
123 1HD1 LEU 17 1HD1 LEU 17 -4.247 0.296 7.325
124 2HD1 LEU 17 3HD1 LEU 17 -5.590 1.324 7.797
125 3HD1 LEU 17 2HD1 LEU 17 -5.871 -0.361 7.389
126 1HD2 LEU 17 2HD2 LEU 17 -7.146 1.640 4.457
127 2HD2 LEU 17 1HD2 LEU 17 -7.606 0.359 5.565
128 3HD2 LEU 17 3HD2 LEU 17 -7.323 1.986 6.167
129 H VAL 18 H VAL 18 -3.430 -0.803 4.776
130 HA VAL 18 HA VAL 18 -1.728 -0.996 7.010
131 HB VAL 18 HB VAL 18 -1.767 -3.455 6.452
132 1HG1 VAL 18 3HG1 VAL 18 -3.712 -2.253 7.545
133 2HG1 VAL 18 2HG1 VAL 18 -4.457 -2.134 5.956
134 3HG1 VAL 18 1HG1 VAL 18 -4.170 -3.712 6.672
135 1HG2 VAL 18 2HG2 VAL 18 -2.819 -2.433 3.794
136 2HG2 VAL 18 1HG2 VAL 18 -1.666 -3.718 4.117
137 3HG2 VAL 18 3HG2 VAL 18 -3.373 -3.979 4.398
138 H PHE 19 H PHE 19 -1.079 -1.799 3.604
139 HA PHE 19 HA PHE 19 1.679 -2.294 3.863
140 1HB PHE 19 2HB PHE 19 0.277 -1.150 1.407
141 2HB PHE 19 1HB PHE 19 1.729 -2.135 1.409
142 HD1 PHE 19 HD1 PHE 19 1.341 -4.465 2.869
143 HD2 PHE 19 HD2 PHE 19 -1.661 -2.264 0.799
144 HE1 PHE 19 HE1 PHE 19 -0.048 -6.480 2.734
145 HE2 PHE 19 HE2 PHE 19 -3.050 -4.279 0.668
146 HZ PHE 19 HZ PHE 19 -2.247 -6.393 1.634
147 H PHE 20 H PHE 20 -0.087 0.614 3.129
148 HA PHE 20 HA PHE 20 1.890 2.410 2.464
149 1HB PHE 20 2HB PHE 20 -0.833 2.551 3.562
150 2HB PHE 20 1HB PHE 20 0.123 3.931 4.064
151 HD1 PHE 20 HD2 PHE 20 1.305 5.310 2.288
152 HD2 PHE 20 HD1 PHE 20 -1.602 2.357 1.294
153 HE1 PHE 20 HE2 PHE 20 1.037 6.315 0.067
154 HE2 PHE 20 HE1 PHE 20 -1.866 3.364 -0.924
155 HZ PHE 20 HZ PHE 20 -0.547 5.345 -1.545
156 H ALA 21 H ALA 21 1.620 0.928 5.524
157 HA ALA 21 HA ALA 21 3.627 2.798 6.593
158 1HB ALA 21 1HB ALA 21 1.381 1.376 8.123
159 2HB ALA 21 3HB ALA 21 2.603 2.394 8.876
160 3HB ALA 21 2HB ALA 21 1.430 3.099 7.775
161 H GLU 22 H GLU 22 2.380 -0.496 6.705
162 HA GLU 22 HA GLU 22 4.634 -1.525 8.120
163 1HB GLU 22 2HB GLU 22 2.578 -2.884 6.419
164 2HB GLU 22 1HB GLU 22 3.644 -3.724 7.518
165 1HG GLU 22 2HG GLU 22 2.546 -2.953 9.353
166 2HG GLU 22 1HG GLU 22 1.988 -1.465 8.637
167 H ASP 23 H ASP 23 3.575 -1.763 4.746
168 HA ASP 23 HA ASP 23 5.973 -3.024 3.890
169 1HB ASP 23 2HB ASP 23 3.517 -2.334 2.715
170 2HB ASP 23 1HB ASP 23 4.711 -1.452 1.780
171 H VAL 24 H VAL 24 5.101 0.439 3.940
172 HA VAL 24 HA VAL 24 7.401 1.255 2.475
173 HB VAL 24 HB VAL 24 7.115 3.441 3.615
174 1HG1 VAL 24 2HG1 VAL 24 5.595 2.731 1.740
175 2HG1 VAL 24 1HG1 VAL 24 4.451 2.138 2.935
176 3HG1 VAL 24 3HG1 VAL 24 4.810 3.858 2.842
177 1HG2 VAL 24 1HG2 VAL 24 5.114 1.987 5.306
178 2HG2 VAL 24 3HG2 VAL 24 6.586 2.747 5.900
179 3HG2 VAL 24 2HG2 VAL 24 5.279 3.735 5.278
180 H GLY 25 H GLY 25 6.775 0.487 5.763
181 1HA GLY 25 2HA GLY 25 9.210 1.185 7.019
182 2HA GLY 25 1HA GLY 25 8.133 -0.099 7.579
183 H SER 26 H SER 26 8.165 -1.925 5.647
184 HA SER 26 HA SER 26 10.564 -3.362 6.003
185 1HB SER 26 2HB SER 26 8.502 -3.738 3.766
186 2HB SER 26 1HB SER 26 9.597 -4.974 4.406
187 HG SER 26 HG SER 26 8.226 -5.250 5.945
188 H ASN 27 H ASN 27 9.382 -1.654 3.174
189 HA ASN 27 HA ASN 27 11.701 -1.993 1.548
190 1HB ASN 27 2HB ASN 27 9.542 0.042 1.208
191 2HB ASN 27 1HB ASN 27 10.496 -0.684 -0.063
192 1HD2 ASN 27 2HD2 ASN 27 7.166 -2.228 -0.106
193 2HD2 ASN 27 1HD2 ASN 27 7.753 -0.644 -0.238
194 H LYS 28 H LYS 28 12.262 0.378 0.442
195 HA LYS 28 HA LYS 28 13.664 2.171 0.636
196 1HB LYS 28 2HB LYS 28 11.268 2.677 2.141
197 2HB LYS 28 1HB LYS 28 12.561 3.284 3.152
198 1HG LYS 28 2HG LYS 28 13.448 4.340 0.903
199 2HG LYS 28 1HG LYS 28 11.814 4.053 0.332
200 1HD LYS 28 2HD LYS 28 10.871 5.471 2.077
201 2HD LYS 28 1HD LYS 28 12.409 5.565 2.916
202 1HE LYS 28 2HE LYS 28 13.323 6.647 0.726
203 2HE LYS 28 1HE LYS 28 11.634 6.882 0.300
204 1HZ LYS 28 1HZ LYS 28 12.004 7.689 2.951
205 2HZ LYS 28 3HZ LYS 28 13.218 8.403 2.005
206 3HZ LYS 28 2HZ LYS 28 11.584 8.634 1.603
207 H GLY 29 H GLY 29 15.061 0.392 1.103
208 1HA GLY 29 2HA GLY 29 16.866 -0.598 2.230
209 2HA GLY 29 1HA GLY 29 17.135 1.031 2.831
210 H ALA 30 H ALA 30 14.218 -0.618 3.623
211 HA ALA 30 HA ALA 30 13.280 -1.258 5.640
212 1HB ALA 30 3HB ALA 30 14.930 -3.140 5.128
213 2HB ALA 30 2HB ALA 30 16.060 -2.372 6.233
214 3HB ALA 30 1HB ALA 30 14.522 -2.978 6.827
215 H ILE 31 H ILE 31 14.307 1.407 5.624
216 HA ILE 31 HA ILE 31 15.851 2.357 7.629
217 HB ILE 31 HB ILE 31 13.222 3.283 6.595
218 1HG1 ILE 31 2HG1 ILE 31 15.918 4.600 6.250
219 2HG1 ILE 31 1HG1 ILE 31 15.552 3.192 5.301
220 1HG2 ILE 31 3HG2 ILE 31 15.015 4.741 8.589
221 2HG2 ILE 31 2HG2 ILE 31 13.861 5.593 7.578
222 3HG2 ILE 31 1HG2 ILE 31 13.295 4.418 8.746
223 1HD1 ILE 31 2HD1 ILE 31 13.280 4.604 4.815
224 2HD1 ILE 31 1HD1 ILE 31 14.375 5.934 5.146
225 3HD1 ILE 31 3HD1 ILE 31 14.732 4.803 3.851
226 H ILE 32 H ILE 32 12.746 0.859 8.132
227 HA ILE 32 HA ILE 32 11.957 1.680 10.637
228 HB ILE 32 HB ILE 32 10.724 0.121 9.199
229 1HG1 ILE 32 2HG1 ILE 32 10.475 0.195 11.848
230 2HG1 ILE 32 1HG1 ILE 32 9.537 -0.903 10.870
231 1HG2 ILE 32 3HG2 ILE 32 12.834 -1.961 9.897
232 2HG2 ILE 32 2HG2 ILE 32 11.307 -2.314 9.109
233 3HG2 ILE 32 1HG2 ILE 32 12.482 -1.287 8.318
234 1HD1 ILE 32 2HD1 ILE 32 12.178 -1.820 12.062
235 2HD1 ILE 32 1HD1 ILE 32 10.692 -1.856 12.991
236 3HD1 ILE 32 3HD1 ILE 32 10.821 -2.790 11.512
237 H GLY 33 H GLY 33 14.625 -0.414 9.892
238 1HA GLY 33 2HA GLY 33 15.586 -0.314 12.700
239 2HA GLY 33 1HA GLY 33 15.452 -1.887 11.896
240 H LEU 34 H LEU 34 16.382 1.280 10.643
241 HA LEU 34 HA LEU 34 19.180 0.725 10.453
242 1HB LEU 34 2HB LEU 34 18.203 -0.693 8.535
243 2HB LEU 34 1HB LEU 34 17.602 0.788 7.828
244 HG LEU 34 HG LEU 34 20.146 1.599 8.051
245 1HD1 LEU 34 1HD1 LEU 34 20.430 -1.441 8.019
246 2HD1 LEU 34 3HD1 LEU 34 21.742 -0.291 7.805
247 3HD1 LEU 34 2HD1 LEU 34 20.905 -0.387 9.343
248 1HD2 LEU 34 1HD2 LEU 34 18.944 1.274 5.897
249 2HD2 LEU 34 3HD2 LEU 34 20.606 0.727 5.792
250 3HD2 LEU 34 2HD2 LEU 34 19.309 -0.445 5.953
251 1HN SME 35 HN MEO 35 19.621 2.672 11.234
252 HA SME 35 HA MEO 35 18.245 5.085 10.539
253 1HB SME 35 1HB MEO 35 20.247 6.156 11.767
254 2HB SME 35 2HB MEO 35 20.869 4.529 11.977
255 1HG SME 35 1HG MEO 35 18.693 3.900 13.109
256 2HG SME 35 2HG MEO 35 18.190 5.580 12.998
257 1HE SME 35 1HE MEO 35 20.278 7.492 13.710
258 2HE SME 35 2HE MEO 35 20.215 7.476 15.471
259 3HE SME 35 3HE MEO 35 18.728 7.328 14.537
260 H VAL 36 H VAL 36 18.305 5.262 8.309
261 HA VAL 36 HA VAL 36 20.609 5.127 6.668
262 HB VAL 36 HB VAL 36 17.862 6.253 6.400
263 1HG1 VAL 36 2HG1 VAL 36 20.045 6.444 4.276
264 2HG1 VAL 36 1HG1 VAL 36 18.333 6.631 3.924
265 3HG1 VAL 36 3HG1 VAL 36 19.139 7.778 4.974
266 1HG2 VAL 36 3HG2 VAL 36 19.369 3.990 5.024
267 2HG2 VAL 36 2HG2 VAL 36 18.145 3.810 6.269
268 3HG2 VAL 36 1HG2 VAL 36 17.702 4.417 4.682
269 H GLY 37 H GLY 37 19.349 7.622 8.673
270 1HA GLY 37 2HA GLY 37 20.590 9.508 9.457
271 2HA GLY 37 1HA GLY 37 21.658 9.383 8.067
272 H GLY 38 H GLY 38 18.187 9.290 7.822
273 1HA GLY 38 2HA GLY 38 16.643 10.666 6.793
274 2HA GLY 38 1HA GLY 38 17.594 12.013 7.411
275 H VAL 39 H VAL 39 18.515 9.514 5.143
276 HA VAL 39 HA VAL 39 19.015 11.536 3.044
277 HB VAL 39 HB VAL 39 20.289 8.761 3.197
278 1HG1 VAL 39 1HG1 VAL 39 21.152 11.383 1.886
279 2HG1 VAL 39 3HG1 VAL 39 22.071 9.887 1.837
280 3HG1 VAL 39 2HG1 VAL 39 20.515 9.984 1.036
281 1HG2 VAL 39 2HG2 VAL 39 21.244 11.329 4.536
282 2HG2 VAL 39 1HG2 VAL 39 20.925 9.782 5.303
283 3HG2 VAL 39 3HG2 VAL 39 22.298 9.958 4.233
284 H VAL 40 H VAL 40 16.545 10.621 3.533
285 HA VAL 40 HA VAL 40 14.621 9.776 2.586
286 HB VAL 40 HB VAL 40 16.371 9.729 0.068
287 1HG1 VAL 40 3HG1 VAL 40 13.335 9.820 0.404
288 2HG1 VAL 40 2HG1 VAL 40 14.174 10.027 -1.123
289 3HG1 VAL 40 1HG1 VAL 40 14.247 8.489 -0.291
290 1HG2 VAL 40 1HG2 VAL 40 14.649 11.914 1.314
291 2HG2 VAL 40 3HG2 VAL 40 16.389 11.956 1.076
292 3HG2 VAL 40 2HG2 VAL 40 15.313 12.004 -0.309
No H/Q in entry = 292
Start of MODEL 5
1 1H ASP 1 1H ASP 1 2.792 -17.123 18.256
2 2H ASP 1 3H ASP 1 4.288 -17.380 17.498
3 3H ASP 1 2H ASP 1 4.057 -16.013 18.476
4 HA ASP 1 HA ASP 1 3.381 -14.837 16.775
5 1HB ASP 1 2HB ASP 1 3.604 -17.437 15.214
6 2HB ASP 1 1HB ASP 1 3.516 -15.845 14.479
7 H ALA 2 H ALA 2 1.646 -14.652 14.989
8 HA ALA 2 HA ALA 2 -0.650 -16.323 15.047
9 1HB ALA 2 1HB ALA 2 -0.685 -13.813 16.774
10 2HB ALA 2 3HB ALA 2 -2.168 -14.519 16.150
11 3HB ALA 2 2HB ALA 2 -1.156 -15.438 17.251
12 H GLU 3 H GLU 3 -0.940 -16.107 12.936
13 HA GLU 3 HA GLU 3 -0.752 -13.512 11.602
14 1HB GLU 3 2HB GLU 3 0.080 -15.887 10.754
15 2HB GLU 3 1HB GLU 3 -1.575 -16.120 10.254
16 1HG GLU 3 2HG GLU 3 0.129 -13.708 9.424
17 2HG GLU 3 1HG GLU 3 -0.024 -15.167 8.466
18 H PHE 4 H PHE 4 -2.556 -12.970 13.143
19 HA PHE 4 HA PHE 4 -5.218 -13.925 12.653
20 1HB PHE 4 2HB PHE 4 -5.856 -12.097 14.238
21 2HB PHE 4 1HB PHE 4 -4.528 -13.065 14.845
22 HD1 PHE 4 HD2 PHE 4 -5.311 -9.844 13.108
23 HD2 PHE 4 HD1 PHE 4 -2.404 -12.066 15.297
24 HE1 PHE 4 HE2 PHE 4 -3.909 -7.845 13.286
25 HE2 PHE 4 HE1 PHE 4 -1.005 -10.061 15.470
26 HZ PHE 4 HZ PHE 4 -1.755 -7.944 14.466
27 H ARG 5 H ARG 5 -6.937 -12.157 12.463
28 HA ARG 5 HA ARG 5 -6.618 -9.953 10.722
29 1HB ARG 5 2HB ARG 5 -6.783 -12.555 9.440
30 2HB ARG 5 1HB ARG 5 -8.339 -11.807 9.183
31 1HG ARG 5 2HG ARG 5 -7.103 -9.724 8.364
32 2HG ARG 5 1HG ARG 5 -5.613 -10.618 8.534
33 1HD ARG 5 2HD ARG 5 -7.076 -12.379 6.970
34 2HD ARG 5 1HD ARG 5 -7.734 -10.834 6.446
35 HE ARG 5 HE ARG 5 -5.679 -10.363 5.426
36 1HH1 ARG 5 2HH1 ARG 5 -5.332 -12.881 7.774
37 2HH1 ARG 5 1HH1 ARG 5 -3.688 -13.206 7.351
38 1HH2 ARG 5 1HH2 ARG 5 -3.581 -10.754 4.872
39 2HH2 ARG 5 2HH2 ARG 5 -2.676 -11.984 5.689
40 H HIS 6 H HIS 6 -7.570 -10.028 13.093
41 HA HIS 6 HA HIS 6 -10.399 -10.563 13.271
42 1HB HIS 6 2HB HIS 6 -8.493 -10.673 15.103
43 2HB HIS 6 1HB HIS 6 -8.887 -8.972 15.277
44 HD1 HIS 6 HD1 HIS 6 -11.280 -8.501 16.239
45 HD2 HIS 6 HD2 HIS 6 -10.499 -12.490 15.886
46 HE1 HIS 6 HE1 HIS 6 -13.070 -9.674 17.468
47 H ASP 7 H ASP 7 -9.463 -8.614 11.376
48 HA ASP 7 HA ASP 7 -10.148 -5.976 12.130
49 1HB ASP 7 2HB ASP 7 -10.238 -5.638 9.602
50 2HB ASP 7 1HB ASP 7 -8.745 -6.344 10.185
51 H SER 8 H SER 8 -11.958 -4.741 11.673
52 HA SER 8 HA SER 8 -14.240 -4.292 11.734
53 1HB SER 8 2HB SER 8 -13.860 -6.186 9.364
54 2HB SER 8 1HB SER 8 -15.502 -5.687 9.801
55 HG SER 8 HG SER 8 -13.567 -4.263 8.644
56 H GLY 9 H GLY 9 -13.372 -5.893 13.647
57 1HA GLY 9 2HA GLY 9 -15.771 -7.460 14.395
58 2HA GLY 9 1HA GLY 9 -14.212 -8.302 14.426
59 H TYR 10 H TYR 10 -12.445 -6.914 15.523
60 HA TYR 10 HA TYR 10 -13.453 -5.422 17.850
61 1HB TYR 10 2HB TYR 10 -13.064 -7.857 18.433
62 2HB TYR 10 1HB TYR 10 -11.386 -7.660 17.949
63 HD1 TYR 10 HD1 TYR 10 -13.899 -5.955 20.182
64 HD2 TYR 10 HD2 TYR 10 -9.863 -7.245 19.675
65 HE1 TYR 10 HE1 TYR 10 -13.355 -5.161 22.435
66 HE2 TYR 10 HE2 TYR 10 -9.325 -6.450 21.926
67 HH TYR 10 HH TYR 10 -11.018 -4.344 23.569
68 H GLU 11 H GLU 11 -11.858 -5.160 15.194
69 HA GLU 11 HA GLU 11 -10.123 -3.073 16.141
70 1HB GLU 11 2HB GLU 11 -9.067 -5.725 15.791
71 2HB GLU 11 1HB GLU 11 -8.445 -4.796 14.449
72 1HG GLU 11 2HG GLU 11 -8.265 -3.918 17.371
73 2HG GLU 11 1HG GLU 11 -6.961 -4.707 16.507
74 H VAL 12 H VAL 12 -8.881 -2.102 14.243
75 HA VAL 12 HA VAL 12 -10.723 -1.258 12.293
76 HB VAL 12 HB VAL 12 -8.601 -0.107 13.126
77 1HG1 VAL 12 1HG1 VAL 12 -7.125 -2.172 12.478
78 2HG1 VAL 12 3HG1 VAL 12 -7.164 -1.514 10.854
79 3HG1 VAL 12 2HG1 VAL 12 -6.475 -0.571 12.164
80 1HG2 VAL 12 1HG2 VAL 12 -10.050 0.565 11.045
81 2HG2 VAL 12 3HG2 VAL 12 -8.505 1.338 11.326
82 3HG2 VAL 12 2HG2 VAL 12 -8.639 0.068 10.127
83 H HIS 13 H HIS 13 -10.108 -1.277 9.915
84 HA HIS 13 HA HIS 13 -9.214 -3.895 8.945
85 1HB HIS 13 2HB HIS 13 -11.747 -3.818 9.360
86 2HB HIS 13 1HB HIS 13 -11.849 -2.638 8.063
87 HD1 HIS 13 HD1 HIS 13 -13.243 -5.208 7.534
88 HD2 HIS 13 HD2 HIS 13 -9.293 -4.815 6.577
89 HE1 HIS 13 HE1 HIS 13 -12.767 -6.920 5.829
90 H HIS 14 H HIS 14 -7.647 -1.950 8.770
91 HA HIS 14 HA HIS 14 -7.808 -0.061 6.680
92 1HB HIS 14 2HB HIS 14 -5.590 -1.435 8.103
93 2HB HIS 14 1HB HIS 14 -5.188 -0.337 6.803
94 HD1 HIS 14 HD1 HIS 14 -7.357 1.803 7.504
95 HD2 HIS 14 HD2 HIS 14 -4.852 0.129 10.257
96 HE1 HIS 14 HE1 HIS 14 -7.249 3.384 9.395
97 H GLN 15 H GLN 15 -7.556 -0.211 4.472
98 HA GLN 15 HA GLN 15 -7.183 -2.872 3.308
99 1HB GLN 15 2HB GLN 15 -9.053 -1.153 2.685
100 2HB GLN 15 1HB GLN 15 -7.809 -0.255 1.850
101 1HG GLN 15 2HG GLN 15 -7.325 -2.725 0.782
102 2HG GLN 15 1HG GLN 15 -9.014 -2.943 1.214
103 1HE2 GLN 15 2HE2 GLN 15 -8.292 -1.148 -2.196
104 2HE2 GLN 15 1HE2 GLN 15 -7.282 -2.262 -1.412
105 H LYS 16 H LYS 16 -6.150 -0.546 1.115
106 HA LYS 16 HA LYS 16 -3.493 -1.402 0.994
107 1HB LYS 16 2HB LYS 16 -4.610 1.326 0.205
108 2HB LYS 16 1HB LYS 16 -3.107 0.645 -0.377
109 1HG LYS 16 2HG LYS 16 -5.802 -0.710 -0.799
110 2HG LYS 16 1HG LYS 16 -5.095 0.403 -1.949
111 1HD LYS 16 2HD LYS 16 -3.069 -1.053 -2.106
112 2HD LYS 16 1HD LYS 16 -3.814 -2.188 -0.994
113 1HE LYS 16 2HE LYS 16 -5.334 -1.379 -3.481
114 2HE LYS 16 1HE LYS 16 -4.042 -2.560 -3.614
115 1HZ LYS 16 1HZ LYS 16 -5.612 -3.240 -1.409
116 2HZ LYS 16 3HZ LYS 16 -6.645 -2.945 -2.724
117 3HZ LYS 16 2HZ LYS 16 -5.398 -4.086 -2.866
118 H LEU 17 H LEU 17 -4.970 0.881 3.063
119 HA LEU 17 HA LEU 17 -2.874 2.516 3.911
120 1HB LEU 17 2HB LEU 17 -5.403 2.499 4.490
121 2HB LEU 17 1HB LEU 17 -5.008 1.406 5.784
122 HG LEU 17 HG LEU 17 -3.457 4.008 5.531
123 1HD1 LEU 17 2HD1 LEU 17 -5.858 4.640 5.353
124 2HD1 LEU 17 1HD1 LEU 17 -6.206 3.743 6.821
125 3HD1 LEU 17 3HD1 LEU 17 -5.180 5.166 6.882
126 1HD2 LEU 17 2HD2 LEU 17 -3.814 1.881 7.557
127 2HD2 LEU 17 1HD2 LEU 17 -2.564 3.103 7.432
128 3HD2 LEU 17 3HD2 LEU 17 -4.079 3.479 8.227
129 H VAL 18 H VAL 18 -3.334 -0.920 4.677
130 HA VAL 18 HA VAL 18 -1.707 -0.957 6.989
131 HB VAL 18 HB VAL 18 -1.609 -3.426 6.540
132 1HG1 VAL 18 2HG1 VAL 18 -3.622 -2.398 7.542
133 2HG1 VAL 18 1HG1 VAL 18 -4.305 -2.197 5.936
134 3HG1 VAL 18 3HG1 VAL 18 -4.040 -3.811 6.578
135 1HG2 VAL 18 2HG2 VAL 18 -2.533 -2.595 3.788
136 2HG2 VAL 18 1HG2 VAL 18 -1.380 -3.826 4.261
137 3HG2 VAL 18 3HG2 VAL 18 -3.098 -4.120 4.436
138 H PHE 19 H PHE 19 -1.022 -1.733 3.603
139 HA PHE 19 HA PHE 19 1.746 -2.158 3.839
140 1HB PHE 19 2HB PHE 19 0.252 -1.042 1.423
141 2HB PHE 19 1HB PHE 19 1.761 -1.933 1.366
142 HD1 PHE 19 HD2 PHE 19 1.487 -4.267 2.953
143 HD2 PHE 19 HD1 PHE 19 -1.560 -2.313 0.698
144 HE1 PHE 19 HE2 PHE 19 0.230 -6.364 2.826
145 HE2 PHE 19 HE1 PHE 19 -2.815 -4.417 0.576
146 HZ PHE 19 HZ PHE 19 -1.922 -6.448 1.640
147 H PHE 20 H PHE 20 -0.091 0.716 3.168
148 HA PHE 20 HA PHE 20 1.794 2.597 2.499
149 1HB PHE 20 2HB PHE 20 -0.744 2.749 4.126
150 2HB PHE 20 1HB PHE 20 0.202 4.198 3.906
151 HD1 PHE 20 HD1 PHE 20 -0.033 1.596 1.217
152 HD2 PHE 20 HD2 PHE 20 -1.501 5.335 2.663
153 HE1 PHE 20 HE1 PHE 20 -1.114 2.006 -0.927
154 HE2 PHE 20 HE2 PHE 20 -2.582 5.734 0.504
155 HZ PHE 20 HZ PHE 20 -2.393 4.072 -1.298
156 H ALA 21 H ALA 21 1.629 1.037 5.568
157 HA ALA 21 HA ALA 21 3.723 2.837 6.573
158 1HB ALA 21 1HB ALA 21 1.451 1.535 8.168
159 2HB ALA 21 3HB ALA 21 2.740 2.492 8.885
160 3HB ALA 21 2HB ALA 21 1.580 3.249 7.807
161 H GLU 22 H GLU 22 2.379 -0.408 6.654
162 HA GLU 22 HA GLU 22 4.589 -1.529 8.073
163 1HB GLU 22 2HB GLU 22 2.451 -2.779 6.398
164 2HB GLU 22 1HB GLU 22 3.507 -3.683 7.457
165 1HG GLU 22 2HG GLU 22 2.515 -2.845 9.342
166 2HG GLU 22 1HG GLU 22 1.953 -1.363 8.619
167 H ASP 23 H ASP 23 3.556 -1.599 4.682
168 HA ASP 23 HA ASP 23 5.852 -3.044 3.795
169 1HB ASP 23 2HB ASP 23 3.469 -2.114 2.638
170 2HB ASP 23 1HB ASP 23 4.744 -1.337 1.720
171 H VAL 24 H VAL 24 5.187 0.435 3.957
172 HA VAL 24 HA VAL 24 7.539 1.215 2.550
173 HB VAL 24 HB VAL 24 7.279 3.385 3.721
174 1HG1 VAL 24 3HG1 VAL 24 5.745 2.725 1.823
175 2HG1 VAL 24 2HG1 VAL 24 4.574 2.181 3.015
176 3HG1 VAL 24 1HG1 VAL 24 5.006 3.884 2.925
177 1HG2 VAL 24 3HG2 VAL 24 5.236 1.953 5.368
178 2HG2 VAL 24 2HG2 VAL 24 6.713 2.682 5.991
179 3HG2 VAL 24 1HG2 VAL 24 5.428 3.699 5.364
180 H GLY 25 H GLY 25 6.785 0.380 5.795
181 1HA GLY 25 2HA GLY 25 9.265 0.916 7.078
182 2HA GLY 25 1HA GLY 25 8.071 -0.262 7.650
183 H SER 26 H SER 26 7.941 -1.984 5.537
184 HA SER 26 HA SER 26 10.375 -3.524 5.797
185 1HB SER 26 2HB SER 26 7.804 -4.143 4.259
186 2HB SER 26 1HB SER 26 9.045 -5.316 4.724
187 HG SER 26 HG SER 26 8.347 -3.841 6.856
188 H ASN 27 H ASN 27 10.535 -1.041 4.279
189 HA ASN 27 HA ASN 27 10.543 -1.359 1.503
190 1HB ASN 27 2HB ASN 27 12.358 0.521 1.648
191 2HB ASN 27 1HB ASN 27 10.742 0.832 2.229
192 1HD2 ASN 27 2HD2 ASN 27 12.505 2.052 4.997
193 2HD2 ASN 27 1HD2 ASN 27 11.708 2.494 3.567
194 H LYS 28 H LYS 28 12.478 -1.291 0.105
195 HA LYS 28 HA LYS 28 14.296 -2.350 -0.870
196 1HB LYS 28 2HB LYS 28 15.278 -2.293 2.031
197 2HB LYS 28 1HB LYS 28 16.293 -2.659 0.650
198 1HG LYS 28 2HG LYS 28 16.069 -0.515 -0.286
199 2HG LYS 28 1HG LYS 28 14.657 -0.116 0.663
200 1HD LYS 28 2HD LYS 28 17.321 -0.653 2.037
201 2HD LYS 28 1HD LYS 28 16.977 0.924 1.358
202 1HE LYS 28 2HE LYS 28 16.177 1.213 3.540
203 2HE LYS 28 1HE LYS 28 14.702 0.705 2.743
204 1HZ LYS 28 3HZ LYS 28 16.148 -1.565 3.546
205 2HZ LYS 28 2HZ LYS 28 16.015 -0.506 4.866
206 3HZ LYS 28 1HZ LYS 28 14.618 -1.041 4.061
207 H GLY 29 H GLY 29 12.531 -3.864 -0.985
208 1HA GLY 29 2HA GLY 29 11.636 -6.039 -0.961
209 2HA GLY 29 1HA GLY 29 13.324 -6.497 -1.114
210 H ALA 30 H ALA 30 11.936 -4.939 1.693
211 HA ALA 30 HA ALA 30 11.839 -5.534 3.922
212 1HB ALA 30 1HB ALA 30 9.987 -6.919 2.867
213 2HB ALA 30 3HB ALA 30 11.092 -8.285 2.847
214 3HB ALA 30 2HB ALA 30 10.602 -7.572 4.376
215 H ILE 31 H ILE 31 14.444 -6.141 2.449
216 HA ILE 31 HA ILE 31 15.736 -8.410 3.363
217 HB ILE 31 HB ILE 31 16.698 -5.627 2.897
218 1HG1 ILE 31 2HG1 ILE 31 15.723 -7.006 0.970
219 2HG1 ILE 31 1HG1 ILE 31 17.328 -6.372 0.701
220 1HG2 ILE 31 1HG2 ILE 31 18.362 -8.078 3.561
221 2HG2 ILE 31 3HG2 ILE 31 19.034 -6.751 2.626
222 3HG2 ILE 31 2HG2 ILE 31 18.467 -6.471 4.260
223 1HD1 ILE 31 2HD1 ILE 31 17.006 -9.176 1.822
224 2HD1 ILE 31 1HD1 ILE 31 16.804 -8.883 0.105
225 3HD1 ILE 31 3HD1 ILE 31 18.331 -8.504 0.883
226 H ILE 32 H ILE 32 14.975 -5.511 5.063
227 HA ILE 32 HA ILE 32 16.586 -5.500 7.293
228 HB ILE 32 HB ILE 32 14.889 -3.788 6.694
229 1HG1 ILE 32 2HG1 ILE 32 14.294 -4.737 9.526
230 2HG1 ILE 32 1HG1 ILE 32 15.854 -4.065 9.096
231 1HG2 ILE 32 1HG2 ILE 32 13.039 -5.487 6.187
232 2HG2 ILE 32 3HG2 ILE 32 12.781 -5.619 7.920
233 3HG2 ILE 32 2HG2 ILE 32 12.526 -4.086 7.105
234 1HD1 ILE 32 1HD1 ILE 32 14.644 -2.002 8.225
235 2HD1 ILE 32 3HD1 ILE 32 13.160 -2.668 8.891
236 3HD1 ILE 32 2HD1 ILE 32 14.491 -2.256 9.954
237 H GLY 33 H GLY 33 14.034 -7.778 6.652
238 1HA GLY 33 2HA GLY 33 14.806 -9.410 8.968
239 2HA GLY 33 1HA GLY 33 13.144 -8.812 8.980
240 H LEU 34 H LEU 34 15.342 -10.026 6.490
241 HA LEU 34 HA LEU 34 13.230 -11.502 5.182
242 1HB LEU 34 2HB LEU 34 15.426 -10.229 4.252
243 2HB LEU 34 1HB LEU 34 16.120 -11.822 4.390
244 HG LEU 34 HG LEU 34 13.802 -12.517 3.134
245 1HD1 LEU 34 3HD1 LEU 34 13.025 -10.103 3.138
246 2HD1 LEU 34 2HD1 LEU 34 14.373 -9.710 2.083
247 3HD1 LEU 34 1HD1 LEU 34 13.114 -10.803 1.532
248 1HD2 LEU 34 1HD2 LEU 34 16.243 -11.352 1.726
249 2HD2 LEU 34 3HD2 LEU 34 16.078 -13.006 2.293
250 3HD2 LEU 34 2HD2 LEU 34 15.056 -12.420 0.994
251 1HN SME 35 HN MEO 35 13.620 -12.476 7.739
252 HA SME 35 HA MEO 35 15.291 -14.733 7.984
253 1HB SME 35 1HB MEO 35 14.270 -13.792 9.956
254 2HB SME 35 2HB MEO 35 13.653 -15.420 9.810
255 1HG SME 35 1HG MEO 35 11.903 -13.553 8.360
256 2HG SME 35 2HG MEO 35 12.138 -13.027 10.017
257 1HE SME 35 1HE MEO 35 8.683 -14.908 9.745
258 2HE SME 35 2HE MEO 35 9.498 -14.332 8.293
259 3HE SME 35 3HE MEO 35 9.488 -13.341 9.751
260 H VAL 36 H VAL 36 15.117 -16.816 7.348
261 HA VAL 36 HA VAL 36 13.324 -17.512 5.249
262 HB VAL 36 HB VAL 36 15.670 -18.367 5.626
263 1HG1 VAL 36 1HG1 VAL 36 15.351 -18.948 8.082
264 2HG1 VAL 36 3HG1 VAL 36 14.512 -20.399 7.544
265 3HG1 VAL 36 2HG1 VAL 36 16.193 -20.136 7.112
266 1HG2 VAL 36 2HG2 VAL 36 13.339 -19.981 4.764
267 2HG2 VAL 36 1HG2 VAL 36 14.848 -19.663 3.938
268 3HG2 VAL 36 3HG2 VAL 36 14.760 -20.938 5.135
269 H GLY 37 H GLY 37 13.565 -18.653 8.563
270 1HA GLY 37 2HA GLY 37 11.438 -18.843 9.885
271 2HA GLY 37 1HA GLY 37 10.715 -19.607 8.470
272 H GLY 38 H GLY 38 13.692 -19.976 10.383
273 1HA GLY 38 2HA GLY 38 14.635 -21.821 11.431
274 2HA GLY 38 1HA GLY 38 13.063 -22.606 11.309
275 H VAL 39 H VAL 39 15.682 -21.534 9.250
276 HA VAL 39 HA VAL 39 16.592 -22.317 7.279
277 HB VAL 39 HB VAL 39 17.571 -23.608 9.243
278 1HG1 VAL 39 3HG1 VAL 39 15.623 -25.762 8.359
279 2HG1 VAL 39 2HG1 VAL 39 17.141 -26.174 9.130
280 3HG1 VAL 39 1HG1 VAL 39 15.979 -25.182 9.977
281 1HG2 VAL 39 3HG2 VAL 39 18.490 -23.629 6.857
282 2HG2 VAL 39 2HG2 VAL 39 18.982 -24.976 7.864
283 3HG2 VAL 39 1HG2 VAL 39 17.728 -25.199 6.657
284 H VAL 40 H VAL 40 13.807 -22.307 7.333
285 HA VAL 40 HA VAL 40 13.218 -23.966 5.005
286 HB VAL 40 HB VAL 40 11.618 -24.108 7.624
287 1HG1 VAL 40 2HG1 VAL 40 10.831 -25.069 4.835
288 2HG1 VAL 40 1HG1 VAL 40 10.030 -25.609 6.303
289 3HG1 VAL 40 3HG1 VAL 40 9.963 -23.919 5.841
290 1HG2 VAL 40 3HG2 VAL 40 13.038 -26.222 5.947
291 2HG2 VAL 40 2HG2 VAL 40 13.413 -25.750 7.594
292 3HG2 VAL 40 1HG2 VAL 40 11.931 -26.613 7.251
No H/Q in entry = 292
Start of MODEL 6
1 1H ASP 1 1H ASP 1 9.299 -16.499 14.778
2 2H ASP 1 3H ASP 1 9.158 -15.629 16.229
3 3H ASP 1 2H ASP 1 8.682 -17.257 16.168
4 HA ASP 1 HA ASP 1 6.650 -16.693 15.614
5 1HB ASP 1 2HB ASP 1 7.741 -13.838 15.535
6 2HB ASP 1 1HB ASP 1 6.034 -14.250 15.552
7 H ALA 2 H ALA 2 5.368 -16.529 13.826
8 HA ALA 2 HA ALA 2 6.119 -15.237 11.385
9 1HB ALA 2 3HB ALA 2 6.456 -18.266 11.603
10 2HB ALA 2 2HB ALA 2 6.281 -17.456 10.054
11 3HB ALA 2 1HB ALA 2 7.664 -17.106 11.075
12 H GLU 3 H GLU 3 4.092 -14.412 11.343
13 HA GLU 3 HA GLU 3 1.889 -16.251 10.763
14 1HB GLU 3 2HB GLU 3 1.972 -15.327 13.215
15 2HB GLU 3 1HB GLU 3 1.519 -13.784 12.526
16 1HG GLU 3 2HG GLU 3 -0.017 -16.351 11.990
17 2HG GLU 3 1HG GLU 3 -0.385 -15.292 13.344
18 H PHE 4 H PHE 4 2.202 -15.739 8.635
19 HA PHE 4 HA PHE 4 2.313 -13.107 7.546
20 1HB PHE 4 2HB PHE 4 1.566 -14.364 5.389
21 2HB PHE 4 1HB PHE 4 3.079 -14.863 6.113
22 HD1 PHE 4 HD1 PHE 4 3.228 -17.017 7.348
23 HD2 PHE 4 HD2 PHE 4 -0.389 -15.850 5.415
24 HE1 PHE 4 HE1 PHE 4 2.386 -19.311 7.528
25 HE2 PHE 4 HE2 PHE 4 -1.224 -18.145 5.600
26 HZ PHE 4 HZ PHE 4 0.159 -19.883 6.655
27 H ARG 5 H ARG 5 0.750 -11.641 7.445
28 HA ARG 5 HA ARG 5 -2.031 -12.421 7.026
29 1HB ARG 5 2HB ARG 5 -1.447 -12.233 9.548
30 2HB ARG 5 1HB ARG 5 -1.256 -10.516 9.289
31 1HG ARG 5 2HG ARG 5 -3.503 -10.144 9.063
32 2HG ARG 5 1HG ARG 5 -3.784 -11.625 8.172
33 1HD ARG 5 2HD ARG 5 -3.318 -11.505 11.186
34 2HD ARG 5 1HD ARG 5 -4.891 -11.685 10.410
35 HE ARG 5 HE ARG 5 -3.094 -13.702 9.442
36 1HH1 ARG 5 2HH1 ARG 5 -4.947 -12.776 12.219
37 2HH1 ARG 5 1HH1 ARG 5 -5.130 -14.403 12.781
38 1HH2 ARG 5 1HH2 ARG 5 -3.305 -15.761 10.133
39 2HH2 ARG 5 2HH2 ARG 5 -4.187 -16.128 11.579
40 H HIS 6 H HIS 6 -1.369 -11.577 4.991
41 HA HIS 6 HA HIS 6 -0.821 -8.752 4.687
42 1HB HIS 6 2HB HIS 6 -0.842 -9.418 2.205
43 2HB HIS 6 1HB HIS 6 0.267 -10.355 3.191
44 HD1 HIS 6 HD1 HIS 6 -3.355 -10.745 2.172
45 HD2 HIS 6 HD2 HIS 6 -0.027 -13.036 2.759
46 HE1 HIS 6 HE1 HIS 6 -4.000 -13.056 1.618
47 H ASP 7 H ASP 7 -3.226 -9.189 5.987
48 HA ASP 7 HA ASP 7 -5.460 -8.554 6.035
49 1HB ASP 7 2HB ASP 7 -4.261 -6.451 5.150
50 2HB ASP 7 1HB ASP 7 -4.698 -6.968 3.539
51 H SER 8 H SER 8 -7.357 -8.104 4.044
52 HA SER 8 HA SER 8 -8.846 -9.211 2.712
53 1HB SER 8 2HB SER 8 -7.956 -9.932 0.608
54 2HB SER 8 1HB SER 8 -6.685 -8.857 1.188
55 HG SER 8 HG SER 8 -5.422 -10.506 1.278
56 H GLY 9 H GLY 9 -8.913 -11.668 1.533
57 1HA GLY 9 2HA GLY 9 -9.396 -13.926 1.933
58 2HA GLY 9 1HA GLY 9 -8.214 -13.873 3.246
59 H TYR 10 H TYR 10 -8.918 -13.632 5.309
60 HA TYR 10 HA TYR 10 -11.837 -13.558 5.791
61 1HB TYR 10 2HB TYR 10 -10.278 -15.588 6.533
62 2HB TYR 10 1HB TYR 10 -9.747 -14.506 7.808
63 HD1 TYR 10 HD2 TYR 10 -12.796 -16.023 6.279
64 HD2 TYR 10 HD1 TYR 10 -11.136 -14.186 9.746
65 HE1 TYR 10 HE2 TYR 10 -14.824 -16.564 7.539
66 HE2 TYR 10 HE1 TYR 10 -13.166 -14.728 11.001
67 HH TYR 10 HH TYR 10 -15.982 -15.427 9.735
68 H GLU 11 H GLU 11 -10.598 -11.308 5.148
69 HA GLU 11 HA GLU 11 -11.059 -9.653 7.443
70 1HB GLU 11 2HB GLU 11 -8.430 -10.586 7.114
71 2HB GLU 11 1HB GLU 11 -8.359 -9.037 6.314
72 1HG GLU 11 2HG GLU 11 -9.804 -8.843 8.888
73 2HG GLU 11 1HG GLU 11 -8.205 -9.521 9.091
74 H VAL 12 H VAL 12 -10.705 -7.351 6.913
75 HA VAL 12 HA VAL 12 -12.164 -6.603 4.629
76 HB VAL 12 HB VAL 12 -10.193 -4.873 6.184
77 1HG1 VAL 12 2HG1 VAL 12 -12.593 -4.221 4.436
78 2HG1 VAL 12 1HG1 VAL 12 -12.008 -3.082 5.637
79 3HG1 VAL 12 3HG1 VAL 12 -10.961 -3.581 4.327
80 1HG2 VAL 12 1HG2 VAL 12 -13.070 -5.647 6.832
81 2HG2 VAL 12 3HG2 VAL 12 -11.647 -5.919 7.825
82 3HG2 VAL 12 2HG2 VAL 12 -12.252 -4.293 7.596
83 H HIS 13 H HIS 13 -11.339 -5.159 2.851
84 HA HIS 13 HA HIS 13 -8.786 -6.217 1.824
85 1HB HIS 13 2HB HIS 13 -11.064 -6.456 0.530
86 2HB HIS 13 1HB HIS 13 -10.866 -4.748 0.149
87 HD1 HIS 13 HD1 HIS 13 -9.131 -4.272 -1.657
88 HD2 HIS 13 HD2 HIS 13 -8.887 -8.140 -0.389
89 HE1 HIS 13 HE1 HIS 13 -7.542 -5.399 -3.175
90 H HIS 14 H HIS 14 -8.855 -4.201 3.753
91 HA HIS 14 HA HIS 14 -8.280 -1.652 2.397
92 1HB HIS 14 2HB HIS 14 -7.930 -0.828 4.697
93 2HB HIS 14 1HB HIS 14 -9.469 -1.632 4.546
94 HD1 HIS 14 HD1 HIS 14 -6.278 -3.510 5.219
95 HD2 HIS 14 HD2 HIS 14 -9.689 -2.416 7.173
96 HE1 HIS 14 HE1 HIS 14 -6.261 -4.703 7.376
97 H GLN 15 H GLN 15 -6.733 -3.699 1.539
98 HA GLN 15 HA GLN 15 -4.224 -4.138 2.654
99 1HB GLN 15 2HB GLN 15 -4.905 -3.949 -0.301
100 2HB GLN 15 1HB GLN 15 -3.547 -4.808 0.393
101 1HG GLN 15 2HG GLN 15 -5.509 -6.042 1.788
102 2HG GLN 15 1HG GLN 15 -6.477 -5.537 0.416
103 1HE2 GLN 15 2HE2 GLN 15 -4.758 -7.683 -1.884
104 2HE2 GLN 15 1HE2 GLN 15 -5.599 -6.212 -1.781
105 H LYS 16 H LYS 16 -5.446 -1.246 1.277
106 HA LYS 16 HA LYS 16 -2.985 -0.136 0.358
107 1HB LYS 16 2HB LYS 16 -5.729 1.006 0.997
108 2HB LYS 16 1HB LYS 16 -4.412 2.034 0.482
109 1HG LYS 16 2HG LYS 16 -5.535 1.521 -1.532
110 2HG LYS 16 1HG LYS 16 -4.147 0.454 -1.551
111 1HD LYS 16 2HD LYS 16 -5.479 -1.462 -0.930
112 2HD LYS 16 1HD LYS 16 -6.835 -0.463 -0.437
113 1HE LYS 16 2HE LYS 16 -7.332 -1.451 -2.617
114 2HE LYS 16 1HE LYS 16 -7.084 0.273 -2.847
115 1HZ LYS 16 3HZ LYS 16 -4.608 -1.016 -3.050
116 2HZ LYS 16 2HZ LYS 16 -5.719 -1.842 -4.033
117 3HZ LYS 16 1HZ LYS 16 -5.469 -0.176 -4.248
118 H LEU 17 H LEU 17 -4.999 1.057 3.017
119 HA LEU 17 HA LEU 17 -3.019 2.630 4.240
120 1HB LEU 17 2HB LEU 17 -4.397 2.640 6.253
121 2HB LEU 17 1HB LEU 17 -5.393 2.750 4.828
122 HG LEU 17 HG LEU 17 -5.458 0.026 5.197
123 1HD1 LEU 17 3HD1 LEU 17 -4.073 0.303 7.358
124 2HD1 LEU 17 2HD1 LEU 17 -5.429 1.192 8.020
125 3HD1 LEU 17 1HD1 LEU 17 -5.619 -0.494 7.574
126 1HD2 LEU 17 2HD2 LEU 17 -7.193 2.181 6.479
127 2HD2 LEU 17 1HD2 LEU 17 -7.460 1.390 4.936
128 3HD2 LEU 17 3HD2 LEU 17 -7.650 0.490 6.432
129 H VAL 18 H VAL 18 -3.610 -0.851 4.938
130 HA VAL 18 HA VAL 18 -1.868 -1.010 7.128
131 HB VAL 18 HB VAL 18 -1.799 -3.482 6.542
132 1HG1 VAL 18 3HG1 VAL 18 -3.707 -2.362 7.749
133 2HG1 VAL 18 2HG1 VAL 18 -4.537 -2.248 6.200
134 3HG1 VAL 18 1HG1 VAL 18 -4.154 -3.827 6.875
135 1HG2 VAL 18 2HG2 VAL 18 -3.134 -2.479 4.026
136 2HG2 VAL 18 1HG2 VAL 18 -1.818 -3.633 4.166
137 3HG2 VAL 18 3HG2 VAL 18 -3.437 -4.099 4.626
138 H PHE 19 H PHE 19 -1.088 -1.949 3.749
139 HA PHE 19 HA PHE 19 1.677 -2.276 4.205
140 1HB PHE 19 2HB PHE 19 0.130 -1.623 1.667
141 2HB PHE 19 1HB PHE 19 1.759 -2.264 1.675
142 HD1 PHE 19 HD2 PHE 19 1.006 -4.174 4.262
143 HD2 PHE 19 HD1 PHE 19 -0.632 -3.552 0.363
144 HE1 PHE 19 HE2 PHE 19 0.085 -6.420 4.281
145 HE2 PHE 19 HE1 PHE 19 -1.549 -5.820 0.405
146 HZ PHE 19 HZ PHE 19 -1.201 -7.256 2.361
147 H PHE 20 H PHE 20 -0.158 0.563 3.238
148 HA PHE 20 HA PHE 20 1.809 2.293 2.416
149 1HB PHE 20 2HB PHE 20 -0.865 2.521 3.644
150 2HB PHE 20 1HB PHE 20 0.135 3.902 4.030
151 HD1 PHE 20 HD2 PHE 20 -0.435 1.744 0.979
152 HD2 PHE 20 HD1 PHE 20 -0.141 5.690 2.572
153 HE1 PHE 20 HE2 PHE 20 -0.860 2.678 -1.244
154 HE2 PHE 20 HE1 PHE 20 -0.565 6.615 0.343
155 HZ PHE 20 HZ PHE 20 -0.924 5.115 -1.570
156 H ALA 21 H ALA 21 1.518 1.000 5.581
157 HA ALA 21 HA ALA 21 3.622 2.820 6.550
158 1HB ALA 21 2HB ALA 21 1.406 1.405 8.126
159 2HB ALA 21 1HB ALA 21 2.661 2.393 8.862
160 3HB ALA 21 3HB ALA 21 1.467 3.131 7.806
161 H GLU 22 H GLU 22 2.323 -0.455 6.669
162 HA GLU 22 HA GLU 22 4.560 -1.571 8.019
163 1HB GLU 22 2HB GLU 22 2.521 -2.819 6.223
164 2HB GLU 22 1HB GLU 22 3.578 -3.736 7.270
165 1HG GLU 22 2HG GLU 22 2.481 -3.070 9.151
166 2HG GLU 22 1HG GLU 22 1.921 -1.545 8.517
167 H ASP 23 H ASP 23 3.583 -1.797 4.612
168 HA ASP 23 HA ASP 23 5.988 -3.007 3.769
169 1HB ASP 23 2HB ASP 23 3.597 -1.895 2.556
170 2HB ASP 23 1HB ASP 23 4.979 -1.596 1.534
171 H VAL 24 H VAL 24 5.209 0.453 3.994
172 HA VAL 24 HA VAL 24 7.525 1.274 2.526
173 HB VAL 24 HB VAL 24 7.254 3.443 3.740
174 1HG1 VAL 24 2HG1 VAL 24 5.843 2.854 1.764
175 2HG1 VAL 24 1HG1 VAL 24 4.631 2.191 2.853
176 3HG1 VAL 24 3HG1 VAL 24 4.984 3.916 2.877
177 1HG2 VAL 24 2HG2 VAL 24 5.097 2.007 5.242
178 2HG2 VAL 24 1HG2 VAL 24 6.569 2.649 5.970
179 3HG2 VAL 24 3HG2 VAL 24 5.364 3.740 5.313
180 H GLY 25 H GLY 25 6.823 0.481 5.816
181 1HA GLY 25 2HA GLY 25 9.316 1.091 7.037
182 2HA GLY 25 1HA GLY 25 8.178 -0.125 7.639
183 H SER 26 H SER 26 8.038 -1.934 5.696
184 HA SER 26 HA SER 26 10.657 -3.219 5.707
185 1HB SER 26 2HB SER 26 8.487 -4.406 6.406
186 2HB SER 26 1HB SER 26 7.994 -4.352 4.705
187 HG SER 26 HG SER 26 9.338 -5.901 4.341
188 H ASN 27 H ASN 27 10.565 -0.996 4.083
189 HA ASN 27 HA ASN 27 9.872 -1.332 1.400
190 1HB ASN 27 2HB ASN 27 11.884 0.357 1.062
191 2HB ASN 27 1HB ASN 27 10.472 0.840 1.962
192 1HD2 ASN 27 2HD2 ASN 27 12.690 1.785 4.456
193 2HD2 ASN 27 1HD2 ASN 27 11.459 2.254 3.389
194 H LYS 28 H LYS 28 11.177 -1.718 -0.431
195 HA LYS 28 HA LYS 28 12.490 -3.082 -1.754
196 1HB LYS 28 2HB LYS 28 14.589 -2.986 0.464
197 2HB LYS 28 1HB LYS 28 14.858 -3.040 -1.270
198 1HG LYS 28 2HG LYS 28 13.854 -0.745 -1.460
199 2HG LYS 28 1HG LYS 28 13.693 -0.703 0.286
200 1HD LYS 28 2HD LYS 28 16.282 -1.268 0.283
201 2HD LYS 28 1HD LYS 28 16.226 -0.654 -1.359
202 1HE LYS 28 2HE LYS 28 15.377 1.505 -0.587
203 2HE LYS 28 1HE LYS 28 15.173 0.893 1.050
204 1HZ LYS 28 2HZ LYS 28 17.811 0.426 0.261
205 2HZ LYS 28 1HZ LYS 28 17.434 2.044 -0.091
206 3HZ LYS 28 3HZ LYS 28 17.233 1.448 1.487
207 H GLY 29 H GLY 29 10.885 -4.171 0.413
208 1HA GLY 29 2HA GLY 29 12.087 -6.851 0.812
209 2HA GLY 29 1HA GLY 29 10.790 -6.178 1.795
210 H ALA 30 H ALA 30 10.752 -5.691 -1.585
211 HA ALA 30 HA ALA 30 9.293 -7.966 -2.468
212 1HB ALA 30 1HB ALA 30 7.725 -5.454 -1.702
213 2HB ALA 30 3HB ALA 30 7.094 -6.607 -2.867
214 3HB ALA 30 2HB ALA 30 7.383 -7.104 -1.209
215 H ILE 31 H ILE 31 9.318 -4.473 -2.883
216 HA ILE 31 HA ILE 31 9.209 -4.271 -5.655
217 HB ILE 31 HB ILE 31 10.872 -2.469 -3.957
218 1HG1 ILE 31 2HG1 ILE 31 8.305 -1.318 -3.954
219 2HG1 ILE 31 1HG1 ILE 31 7.955 -3.013 -3.719
220 1HG2 ILE 31 2HG2 ILE 31 9.133 -1.987 -6.411
221 2HG2 ILE 31 1HG2 ILE 31 9.934 -0.709 -5.513
222 3HG2 ILE 31 3HG2 ILE 31 10.887 -1.922 -6.343
223 1HD1 ILE 31 1HD1 ILE 31 9.724 -2.982 -1.835
224 2HD1 ILE 31 3HD1 ILE 31 9.747 -1.236 -2.020
225 3HD1 ILE 31 2HD1 ILE 31 8.270 -2.048 -1.526
226 H ILE 32 H ILE 32 11.893 -4.991 -3.616
227 HA ILE 32 HA ILE 32 14.109 -4.520 -5.216
228 HB ILE 32 HB ILE 32 14.138 -5.158 -2.842
229 1HG1 ILE 32 2HG1 ILE 32 15.795 -7.258 -4.280
230 2HG1 ILE 32 1HG1 ILE 32 16.161 -5.552 -4.452
231 1HG2 ILE 32 3HG2 ILE 32 12.391 -6.941 -2.920
232 2HG2 ILE 32 2HG2 ILE 32 13.494 -7.992 -3.791
233 3HG2 ILE 32 1HG2 ILE 32 13.846 -7.523 -2.138
234 1HD1 ILE 32 1HD1 ILE 32 16.307 -5.362 -1.944
235 2HD1 ILE 32 3HD1 ILE 32 16.075 -7.100 -1.831
236 3HD1 ILE 32 2HD1 ILE 32 17.501 -6.455 -2.622
237 H GLY 33 H GLY 33 11.754 -7.029 -5.620
238 1HA GLY 33 2HA GLY 33 13.381 -8.260 -7.813
239 2HA GLY 33 1HA GLY 33 12.291 -9.181 -6.778
240 H LEU 34 H LEU 34 10.142 -7.557 -6.633
241 HA LEU 34 HA LEU 34 8.078 -7.519 -7.718
242 1HB LEU 34 2HB LEU 34 9.455 -5.233 -7.834
243 2HB LEU 34 1HB LEU 34 9.438 -5.527 -9.556
244 HG LEU 34 HG LEU 34 6.827 -5.905 -9.200
245 1HD1 LEU 34 1HD1 LEU 34 7.188 -5.782 -6.606
246 2HD1 LEU 34 3HD1 LEU 34 7.328 -4.049 -6.843
247 3HD1 LEU 34 2HD1 LEU 34 5.846 -4.879 -7.281
248 1HD2 LEU 34 1HD2 LEU 34 8.110 -3.148 -9.001
249 2HD2 LEU 34 3HD2 LEU 34 7.751 -4.019 -10.484
250 3HD2 LEU 34 2HD2 LEU 34 6.442 -3.451 -9.463
251 1HN SME 35 HN MEO 35 9.167 -9.710 -8.669
252 HA SME 35 HA MEO 35 8.914 -11.317 -10.303
253 1HB SME 35 1HB MEO 35 7.536 -9.463 -12.241
254 2HB SME 35 2HB MEO 35 6.729 -9.732 -10.711
255 1HG SME 35 1HG MEO 35 6.230 -11.929 -11.183
256 2HG SME 35 2HG MEO 35 7.734 -12.218 -12.034
257 1HE SME 35 1HE MEO 35 4.017 -10.157 -13.756
258 2HE SME 35 2HE MEO 35 5.208 -9.186 -12.895
259 3HE SME 35 3HE MEO 35 4.352 -10.482 -12.058
260 H VAL 36 H VAL 36 9.735 -11.998 -12.316
261 HA VAL 36 HA VAL 36 12.221 -10.889 -13.028
262 HB VAL 36 HB VAL 36 11.169 -13.272 -13.334
263 1HG1 VAL 36 3HG1 VAL 36 9.350 -12.564 -14.891
264 2HG1 VAL 36 2HG1 VAL 36 10.564 -12.208 -16.112
265 3HG1 VAL 36 1HG1 VAL 36 10.349 -13.851 -15.540
266 1HG2 VAL 36 2HG2 VAL 36 13.130 -11.990 -15.275
267 2HG2 VAL 36 1HG2 VAL 36 13.495 -12.937 -13.843
268 3HG2 VAL 36 3HG2 VAL 36 12.829 -13.721 -15.264
269 H GLY 37 H GLY 37 9.080 -10.407 -14.264
270 1HA GLY 37 2HA GLY 37 8.366 -8.373 -15.386
271 2HA GLY 37 1HA GLY 37 9.992 -8.172 -16.025
272 H GLY 38 H GLY 38 8.497 -11.274 -16.102
273 1HA GLY 38 2HA GLY 38 7.913 -12.690 -17.836
274 2HA GLY 38 1HA GLY 38 7.060 -11.296 -18.493
275 H VAL 39 H VAL 39 10.474 -11.628 -17.958
276 HA VAL 39 HA VAL 39 11.044 -11.103 -20.782
277 HB VAL 39 HB VAL 39 12.062 -9.769 -18.847
278 1HG1 VAL 39 3HG1 VAL 39 12.483 -11.986 -17.497
279 2HG1 VAL 39 2HG1 VAL 39 13.988 -12.059 -18.397
280 3HG1 VAL 39 1HG1 VAL 39 13.645 -10.677 -17.373
281 1HG2 VAL 39 3HG2 VAL 39 13.092 -9.934 -21.193
282 2HG2 VAL 39 2HG2 VAL 39 14.167 -9.432 -19.902
283 3HG2 VAL 39 1HG2 VAL 39 14.243 -11.073 -20.512
284 H VAL 40 H VAL 40 10.062 -13.598 -19.863
285 HA VAL 40 HA VAL 40 11.987 -15.655 -19.706
286 HB VAL 40 HB VAL 40 9.158 -15.789 -20.863
287 1HG1 VAL 40 2HG1 VAL 40 11.026 -17.962 -19.805
288 2HG1 VAL 40 1HG1 VAL 40 9.312 -18.212 -20.100
289 3HG1 VAL 40 3HG1 VAL 40 10.382 -17.830 -21.434
290 1HG2 VAL 40 1HG2 VAL 40 10.200 -16.146 -18.015
291 2HG2 VAL 40 3HG2 VAL 40 9.121 -14.881 -18.581
292 3HG2 VAL 40 2HG2 VAL 40 8.566 -16.541 -18.524
No H/Q in entry = 292
Start of MODEL 7
1 1H ASP 1 1H ASP 1 -3.977 -12.484 -16.009
2 2H ASP 1 3H ASP 1 -5.276 -11.630 -15.328
3 3H ASP 1 2H ASP 1 -4.211 -10.847 -16.395
4 HA ASP 1 HA ASP 1 -2.921 -10.244 -14.743
5 1HB ASP 1 2HB ASP 1 -4.774 -10.001 -13.256
6 2HB ASP 1 1HB ASP 1 -5.076 -11.727 -13.199
7 H ALA 2 H ALA 2 -1.023 -10.866 -13.857
8 HA ALA 2 HA ALA 2 -0.183 -13.633 -14.253
9 1HB ALA 2 2HB ALA 2 1.197 -11.788 -15.137
10 2HB ALA 2 1HB ALA 2 1.382 -11.128 -13.520
11 3HB ALA 2 3HB ALA 2 2.101 -12.682 -13.926
12 H GLU 3 H GLU 3 -1.814 -13.920 -12.323
13 HA GLU 3 HA GLU 3 -2.209 -14.520 -10.119
14 1HB GLU 3 2HB GLU 3 -0.355 -16.091 -10.966
15 2HB GLU 3 1HB GLU 3 0.779 -15.082 -10.104
16 1HG GLU 3 2HG GLU 3 -1.262 -15.672 -8.192
17 2HG GLU 3 1HG GLU 3 -1.048 -17.163 -9.085
18 H PHE 4 H PHE 4 -1.674 -11.800 -10.538
19 HA PHE 4 HA PHE 4 -0.653 -10.957 -7.886
20 1HB PHE 4 2HB PHE 4 0.334 -10.315 -10.522
21 2HB PHE 4 1HB PHE 4 -0.168 -8.845 -9.709
22 HD1 PHE 4 HD1 PHE 4 2.022 -11.827 -9.443
23 HD2 PHE 4 HD2 PHE 4 1.063 -8.012 -7.799
24 HE1 PHE 4 HE1 PHE 4 4.060 -11.899 -8.083
25 HE2 PHE 4 HE2 PHE 4 3.104 -8.090 -6.440
26 HZ PHE 4 HZ PHE 4 4.606 -10.031 -6.579
27 H ARG 5 H ARG 5 -1.244 -8.279 -8.194
28 HA ARG 5 HA ARG 5 -2.932 -6.772 -7.772
29 1HB ARG 5 2HB ARG 5 -3.103 -7.105 -10.247
30 2HB ARG 5 1HB ARG 5 -4.310 -8.348 -9.993
31 1HG ARG 5 2HG ARG 5 -5.808 -6.722 -8.921
32 2HG ARG 5 1HG ARG 5 -4.584 -5.468 -9.042
33 1HD ARG 5 2HD ARG 5 -4.986 -5.119 -11.314
34 2HD ARG 5 1HD ARG 5 -5.284 -6.822 -11.628
35 HE ARG 5 HE ARG 5 -7.558 -6.462 -11.260
36 1HH1 ARG 5 2HH1 ARG 5 -5.715 -3.841 -9.938
37 2HH1 ARG 5 1HH1 ARG 5 -7.117 -2.898 -9.562
38 1HH2 ARG 5 1HH2 ARG 5 -9.343 -5.282 -10.797
39 2HH2 ARG 5 2HH2 ARG 5 -9.200 -3.725 -10.052
40 H HIS 6 H HIS 6 -3.415 -7.428 -5.683
41 HA HIS 6 HA HIS 6 -5.507 -9.378 -5.175
42 1HB HIS 6 2HB HIS 6 -4.921 -8.967 -2.804
43 2HB HIS 6 1HB HIS 6 -3.451 -9.188 -3.735
44 HD1 HIS 6 HD1 HIS 6 -5.256 -6.625 -1.818
45 HD2 HIS 6 HD2 HIS 6 -1.931 -6.778 -4.182
46 HE1 HIS 6 HE1 HIS 6 -4.035 -4.519 -1.431
47 H ASP 7 H ASP 7 -6.322 -7.207 -6.691
48 HA ASP 7 HA ASP 7 -7.544 -5.064 -5.391
49 1HB ASP 7 2HB ASP 7 -7.262 -5.450 -7.882
50 2HB ASP 7 1HB ASP 7 -8.674 -6.490 -7.832
51 H SER 8 H SER 8 -9.215 -4.829 -4.129
52 HA SER 8 HA SER 8 -11.630 -6.328 -4.197
53 1HB SER 8 2HB SER 8 -11.257 -7.249 -1.721
54 2HB SER 8 1HB SER 8 -10.475 -8.143 -3.033
55 HG SER 8 HG SER 8 -8.637 -7.555 -2.258
56 H GLY 9 H GLY 9 -13.206 -5.291 -3.033
57 1HA GLY 9 2HA GLY 9 -14.173 -3.685 -1.586
58 2HA GLY 9 1HA GLY 9 -12.558 -3.239 -1.034
59 H TYR 10 H TYR 10 -14.453 -1.259 -1.642
60 HA TYR 10 HA TYR 10 -13.127 0.094 -3.866
61 1HB TYR 10 2HB TYR 10 -15.268 -1.170 -4.612
62 2HB TYR 10 1HB TYR 10 -16.155 -0.002 -3.652
63 HD1 TYR 10 HD1 TYR 10 -14.013 -0.454 -6.628
64 HD2 TYR 10 HD2 TYR 10 -16.312 2.344 -4.382
65 HE1 TYR 10 HE1 TYR 10 -13.888 1.140 -8.481
66 HE2 TYR 10 HE2 TYR 10 -16.184 3.934 -6.239
67 HH TYR 10 HH TYR 10 -15.139 3.061 -9.342
68 H GLU 11 H GLU 11 -15.394 0.146 -1.266
69 HA GLU 11 HA GLU 11 -15.726 2.901 -0.876
70 1HB GLU 11 2HB GLU 11 -15.679 0.664 1.176
71 2HB GLU 11 1HB GLU 11 -16.501 2.202 1.389
72 1HG GLU 11 2HG GLU 11 -17.189 -0.088 -0.500
73 2HG GLU 11 1HG GLU 11 -18.208 0.630 0.730
74 H VAL 12 H VAL 12 -14.401 4.433 -0.188
75 HA VAL 12 HA VAL 12 -12.377 5.464 0.403
76 HB VAL 12 HB VAL 12 -13.784 4.969 2.469
77 1HG1 VAL 12 2HG1 VAL 12 -11.866 2.666 2.811
78 2HG1 VAL 12 1HG1 VAL 12 -12.558 3.461 4.207
79 3HG1 VAL 12 3HG1 VAL 12 -13.605 2.714 3.025
80 1HG2 VAL 12 3HG2 VAL 12 -11.409 6.313 2.263
81 2HG2 VAL 12 2HG2 VAL 12 -12.403 6.277 3.705
82 3HG2 VAL 12 1HG2 VAL 12 -11.032 5.197 3.562
83 H HIS 13 H HIS 13 -10.346 4.268 2.111
84 HA HIS 13 HA HIS 13 -9.035 2.484 0.151
85 1HB HIS 13 2HB HIS 13 -8.222 5.037 0.844
86 2HB HIS 13 1HB HIS 13 -7.279 4.098 1.984
87 HD1 HIS 13 HD1 HIS 13 -6.016 5.515 -0.472
88 HD2 HIS 13 HD2 HIS 13 -6.986 1.550 -0.434
89 HE1 HIS 13 HE1 HIS 13 -4.620 4.441 -2.197
90 H HIS 14 H HIS 14 -10.655 1.485 2.072
91 HA HIS 14 HA HIS 14 -9.254 0.617 4.448
92 1HB HIS 14 2HB HIS 14 -11.317 -0.795 4.750
93 2HB HIS 14 1HB HIS 14 -11.698 0.885 4.432
94 HD1 HIS 14 HD1 HIS 14 -10.754 -0.562 1.323
95 HD2 HIS 14 HD2 HIS 14 -14.190 -0.612 3.524
96 HE1 HIS 14 HE1 HIS 14 -12.553 -1.225 -0.220
97 H GLN 15 H GLN 15 -7.392 -0.105 2.909
98 HA GLN 15 HA GLN 15 -7.186 -2.928 3.044
99 1HB GLN 15 2HB GLN 15 -8.549 -2.837 0.953
100 2HB GLN 15 1HB GLN 15 -7.473 -1.639 0.269
101 1HG GLN 15 2HG GLN 15 -5.599 -3.428 0.513
102 2HG GLN 15 1HG GLN 15 -6.897 -4.565 0.854
103 1HE2 GLN 15 2HE2 GLN 15 -7.982 -4.719 -2.524
104 2HE2 GLN 15 1HE2 GLN 15 -8.333 -5.135 -0.918
105 H LYS 16 H LYS 16 -5.851 -0.674 0.679
106 HA LYS 16 HA LYS 16 -3.178 -1.319 1.013
107 1HB LYS 16 2HB LYS 16 -4.309 1.389 0.234
108 2HB LYS 16 1HB LYS 16 -2.701 0.810 -0.137
109 1HG LYS 16 2HG LYS 16 -5.297 -0.423 -1.169
110 2HG LYS 16 1HG LYS 16 -4.173 0.548 -2.094
111 1HD LYS 16 2HD LYS 16 -2.389 -1.276 -1.398
112 2HD LYS 16 1HD LYS 16 -3.791 -2.263 -1.027
113 1HE LYS 16 2HE LYS 16 -3.182 -2.751 -3.317
114 2HE LYS 16 1HE LYS 16 -4.634 -1.767 -3.399
115 1HZ LYS 16 3HZ LYS 16 -2.414 -0.069 -3.328
116 2HZ LYS 16 2HZ LYS 16 -2.140 -1.255 -4.512
117 3HZ LYS 16 1HZ LYS 16 -3.539 -0.296 -4.578
118 H LEU 17 H LEU 17 -5.098 0.747 3.002
119 HA LEU 17 HA LEU 17 -3.300 2.447 4.228
120 1HB LEU 17 2HB LEU 17 -5.783 2.137 4.707
121 2HB LEU 17 1HB LEU 17 -5.370 0.781 5.728
122 HG LEU 17 HG LEU 17 -3.808 3.262 6.343
123 1HD1 LEU 17 3HD1 LEU 17 -6.816 3.210 6.830
124 2HD1 LEU 17 2HD1 LEU 17 -5.697 4.397 7.484
125 3HD1 LEU 17 1HD1 LEU 17 -5.969 4.311 5.754
126 1HD2 LEU 17 3HD2 LEU 17 -3.809 1.185 7.771
127 2HD2 LEU 17 2HD2 LEU 17 -4.332 2.606 8.653
128 3HD2 LEU 17 1HD2 LEU 17 -5.516 1.436 8.094
129 H VAL 18 H VAL 18 -3.442 -1.050 4.716
130 HA VAL 18 HA VAL 18 -1.800 -1.101 7.021
131 HB VAL 18 HB VAL 18 -1.596 -3.541 6.452
132 1HG1 VAL 18 1HG1 VAL 18 -3.684 -2.556 7.488
133 2HG1 VAL 18 3HG1 VAL 18 -4.386 -2.481 5.878
134 3HG1 VAL 18 2HG1 VAL 18 -3.971 -4.037 6.582
135 1HG2 VAL 18 2HG2 VAL 18 -2.609 -2.593 3.766
136 2HG2 VAL 18 1HG2 VAL 18 -1.384 -3.790 4.137
137 3HG2 VAL 18 3HG2 VAL 18 -3.082 -4.182 4.328
138 H PHE 19 H PHE 19 -1.003 -1.865 3.643
139 HA PHE 19 HA PHE 19 1.778 -2.072 3.892
140 1HB PHE 19 2HB PHE 19 0.211 -1.107 1.458
141 2HB PHE 19 1HB PHE 19 1.787 -1.876 1.415
142 HD1 PHE 19 HD2 PHE 19 1.731 -4.204 2.987
143 HD2 PHE 19 HD1 PHE 19 -1.515 -2.520 0.801
144 HE1 PHE 19 HE2 PHE 19 0.650 -6.402 2.893
145 HE2 PHE 19 HE1 PHE 19 -2.596 -4.720 0.712
146 HZ PHE 19 HZ PHE 19 -1.517 -6.666 1.759
147 H PHE 20 H PHE 20 -0.251 0.664 3.282
148 HA PHE 20 HA PHE 20 1.333 2.693 2.471
149 1HB PHE 20 2HB PHE 20 -1.136 2.780 3.160
150 2HB PHE 20 1HB PHE 20 -0.594 2.967 4.820
151 HD1 PHE 20 HD2 PHE 20 -0.562 4.541 1.473
152 HD2 PHE 20 HD1 PHE 20 0.274 5.048 5.615
153 HE1 PHE 20 HE2 PHE 20 -0.280 6.960 1.120
154 HE2 PHE 20 HE1 PHE 20 0.556 7.466 5.266
155 HZ PHE 20 HZ PHE 20 0.279 8.424 3.016
156 H ALA 21 H ALA 21 1.477 1.247 5.615
157 HA ALA 21 HA ALA 21 3.777 2.967 6.319
158 1HB ALA 21 2HB ALA 21 1.678 1.730 8.163
159 2HB ALA 21 1HB ALA 21 3.076 2.643 8.718
160 3HB ALA 21 3HB ALA 21 1.821 3.440 7.782
161 H GLU 22 H GLU 22 2.311 -0.227 6.851
162 HA GLU 22 HA GLU 22 4.560 -1.450 7.993
163 1HB GLU 22 2HB GLU 22 2.370 -2.588 6.305
164 2HB GLU 22 1HB GLU 22 3.468 -3.581 7.233
165 1HG GLU 22 2HG GLU 22 2.580 -2.896 9.231
166 2HG GLU 22 1HG GLU 22 1.986 -1.360 8.646
167 H ASP 23 H ASP 23 3.581 -1.343 4.584
168 HA ASP 23 HA ASP 23 5.771 -2.898 3.679
169 1HB ASP 23 2HB ASP 23 3.553 -1.815 2.477
170 2HB ASP 23 1HB ASP 23 4.823 -0.791 1.834
171 H VAL 24 H VAL 24 5.516 0.600 4.154
172 HA VAL 24 HA VAL 24 7.950 1.274 2.880
173 HB VAL 24 HB VAL 24 7.786 3.317 3.880
174 1HG1 VAL 24 1HG1 VAL 24 5.523 2.808 3.020
175 2HG1 VAL 24 3HG1 VAL 24 5.028 2.327 4.631
176 3HG1 VAL 24 2HG1 VAL 24 5.478 3.994 4.313
177 1HG2 VAL 24 1HG2 VAL 24 7.031 2.185 6.571
178 2HG2 VAL 24 3HG2 VAL 24 8.523 2.960 6.087
179 3HG2 VAL 24 2HG2 VAL 24 7.047 3.891 6.193
180 H GLY 25 H GLY 25 7.235 0.300 6.143
181 1HA GLY 25 2HA GLY 25 9.810 0.200 7.267
182 2HA GLY 25 1HA GLY 25 8.467 -0.822 7.784
183 H SER 26 H SER 26 7.984 -2.405 5.640
184 HA SER 26 HA SER 26 9.859 -4.468 5.790
185 1HB SER 26 2HB SER 26 8.016 -3.927 3.398
186 2HB SER 26 1HB SER 26 8.636 -5.498 3.928
187 HG SER 26 HG SER 26 7.077 -5.538 5.303
188 H ASN 27 H ASN 27 9.441 -2.111 3.229
189 HA ASN 27 HA ASN 27 11.576 -2.832 1.554
190 1HB ASN 27 2HB ASN 27 10.358 -0.129 1.922
191 2HB ASN 27 1HB ASN 27 11.150 -0.684 0.464
192 1HD2 ASN 27 2HD2 ASN 27 7.452 -1.016 0.145
193 2HD2 ASN 27 1HD2 ASN 27 8.435 0.270 0.643
194 H LYS 28 H LYS 28 13.422 -1.435 1.054
195 HA LYS 28 HA LYS 28 14.711 -0.244 3.436
196 1HB LYS 28 2HB LYS 28 16.882 -1.249 2.512
197 2HB LYS 28 1HB LYS 28 15.725 -2.430 3.095
198 1HG LYS 28 2HG LYS 28 14.975 -2.944 0.830
199 2HG LYS 28 1HG LYS 28 15.917 -1.626 0.156
200 1HD LYS 28 2HD LYS 28 18.014 -2.745 0.906
201 2HD LYS 28 1HD LYS 28 17.068 -4.065 1.575
202 1HE LYS 28 2HE LYS 28 16.146 -4.536 -0.713
203 2HE LYS 28 1HE LYS 28 17.149 -3.245 -1.363
204 1HZ LYS 28 1HZ LYS 28 18.768 -4.934 0.163
205 2HZ LYS 28 3HZ LYS 28 17.839 -5.898 -0.881
206 3HZ LYS 28 2HZ LYS 28 18.807 -4.654 -1.511
207 H GLY 29 H GLY 29 13.254 1.210 1.678
208 1HA GLY 29 2HA GLY 29 15.088 3.210 0.827
209 2HA GLY 29 1HA GLY 29 14.496 2.307 -0.570
210 H ALA 30 H ALA 30 11.898 1.803 0.324
211 HA ALA 30 HA ALA 30 10.428 3.965 -0.589
212 1HB ALA 30 2HB ALA 30 9.501 1.701 -0.257
213 2HB ALA 30 1HB ALA 30 9.568 1.920 1.485
214 3HB ALA 30 3HB ALA 30 8.472 2.895 0.520
215 H ILE 31 H ILE 31 11.562 3.388 2.636
216 HA ILE 31 HA ILE 31 10.072 5.253 4.110
217 HB ILE 31 HB ILE 31 12.948 4.602 4.644
218 1HG1 ILE 31 2HG1 ILE 31 11.654 2.663 6.076
219 2HG1 ILE 31 1HG1 ILE 31 10.543 2.795 4.736
220 1HG2 ILE 31 3HG2 ILE 31 11.873 6.255 6.145
221 2HG2 ILE 31 2HG2 ILE 31 10.591 5.107 6.500
222 3HG2 ILE 31 1HG2 ILE 31 12.238 4.776 7.015
223 1HD1 ILE 31 1HD1 ILE 31 13.290 2.685 3.722
224 2HD1 ILE 31 3HD1 ILE 31 12.991 1.349 4.816
225 3HD1 ILE 31 2HD1 ILE 31 11.961 1.584 3.416
226 H ILE 32 H ILE 32 13.449 5.708 3.107
227 HA ILE 32 HA ILE 32 13.487 8.501 3.529
228 HB ILE 32 HB ILE 32 15.544 7.195 3.434
229 1HG1 ILE 32 2HG1 ILE 32 15.757 8.977 0.984
230 2HG1 ILE 32 1HG1 ILE 32 15.432 9.681 2.554
231 1HG2 ILE 32 3HG2 ILE 32 14.906 6.652 0.499
232 2HG2 ILE 32 2HG2 ILE 32 16.424 6.266 1.282
233 3HG2 ILE 32 1HG2 ILE 32 14.956 5.477 1.806
234 1HD1 ILE 32 1HD1 ILE 32 17.480 8.538 3.462
235 2HD1 ILE 32 3HD1 ILE 32 17.846 7.975 1.836
236 3HD1 ILE 32 2HD1 ILE 32 17.837 9.694 2.191
237 H GLY 33 H GLY 33 12.735 6.624 0.647
238 1HA GLY 33 2HA GLY 33 12.535 8.886 -1.146
239 2HA GLY 33 1HA GLY 33 12.007 7.241 -1.470
240 H LEU 34 H LEU 34 10.691 8.487 1.409
241 HA LEU 34 HA LEU 34 8.400 9.787 0.233
242 1HB LEU 34 2HB LEU 34 8.152 7.097 0.196
243 2HB LEU 34 1HB LEU 34 7.781 7.292 1.888
244 HG LEU 34 HG LEU 34 5.717 7.240 0.581
245 1HD1 LEU 34 2HD1 LEU 34 5.867 8.831 2.560
246 2HD1 LEU 34 1HD1 LEU 34 6.122 10.139 1.414
247 3HD1 LEU 34 3HD1 LEU 34 4.623 9.226 1.390
248 1HD2 LEU 34 2HD2 LEU 34 6.867 8.150 -1.554
249 2HD2 LEU 34 1HD2 LEU 34 5.215 8.654 -1.256
250 3HD2 LEU 34 3HD2 LEU 34 6.540 9.752 -0.913
251 1HN SME 35 HN MEO 35 8.792 11.474 1.460
252 HA SME 35 HA MEO 35 9.623 11.558 4.144
253 1HB SME 35 1HB MEO 35 9.717 13.456 2.509
254 2HB SME 35 2HB MEO 35 9.040 13.929 4.054
255 1HG SME 35 1HG MEO 35 6.913 14.262 3.176
256 2HG SME 35 2HG MEO 35 7.073 12.979 1.987
257 1HE SME 35 1HE MEO 35 6.380 15.983 -0.255
258 2HE SME 35 2HE MEO 35 5.646 15.410 1.241
259 3HE SME 35 3HE MEO 35 6.096 14.260 -0.019
260 H VAL 36 H VAL 36 8.361 12.683 5.878
261 HA VAL 36 HA VAL 36 6.321 11.053 6.878
262 HB VAL 36 HB VAL 36 7.808 12.626 8.157
263 1HG1 VAL 36 1HG1 VAL 36 7.453 14.627 6.634
264 2HG1 VAL 36 3HG1 VAL 36 5.890 14.859 7.406
265 3HG1 VAL 36 2HG1 VAL 36 7.361 14.971 8.346
266 1HG2 VAL 36 1HG2 VAL 36 5.761 11.621 9.213
267 2HG2 VAL 36 3HG2 VAL 36 6.149 13.190 9.894
268 3HG2 VAL 36 2HG2 VAL 36 4.838 13.038 8.736
269 H GLY 37 H GLY 37 6.173 14.060 5.210
270 1HA GLY 37 2HA GLY 37 3.780 13.710 3.780
271 2HA GLY 37 1HA GLY 37 3.332 14.522 5.287
272 H GLY 38 H GLY 38 6.136 15.695 5.257
273 1HA GLY 38 2HA GLY 38 6.323 17.455 3.018
274 2HA GLY 38 1HA GLY 38 5.638 18.282 4.424
275 H VAL 39 H VAL 39 7.917 15.698 4.502
276 HA VAL 39 HA VAL 39 9.916 15.439 5.654
277 HB VAL 39 HB VAL 39 10.400 15.991 3.277
278 1HG1 VAL 39 2HG1 VAL 39 10.687 18.865 4.242
279 2HG1 VAL 39 1HG1 VAL 39 11.442 18.282 2.774
280 3HG1 VAL 39 3HG1 VAL 39 9.701 18.246 2.930
281 1HG2 VAL 39 2HG2 VAL 39 12.218 15.495 5.082
282 2HG2 VAL 39 1HG2 VAL 39 12.731 16.096 3.518
283 3HG2 VAL 39 3HG2 VAL 39 12.661 17.183 4.892
284 H VAL 40 H VAL 40 8.308 16.807 7.182
285 HA VAL 40 HA VAL 40 8.951 19.298 8.209
286 HB VAL 40 HB VAL 40 7.052 17.667 8.865
287 1HG1 VAL 40 1HG1 VAL 40 8.771 15.866 9.681
288 2HG1 VAL 40 3HG1 VAL 40 8.866 16.823 11.146
289 3HG1 VAL 40 2HG1 VAL 40 7.330 16.134 10.648
290 1HG2 VAL 40 2HG2 VAL 40 7.386 19.922 9.901
291 2HG2 VAL 40 1HG2 VAL 40 6.701 18.763 11.025
292 3HG2 VAL 40 3HG2 VAL 40 8.400 19.190 11.134
No H/Q in entry = 292
Start of MODEL 8
1 1H ASP 1 3H ASP 1 -13.587 -1.157 11.422
2 2H ASP 1 2H ASP 1 -12.229 -0.614 10.559
3 3H ASP 1 1H ASP 1 -13.310 -1.710 9.842
4 HA ASP 1 HA ASP 1 -12.173 -3.405 10.595
5 1HB ASP 1 2HB ASP 1 -10.213 -1.859 10.386
6 2HB ASP 1 1HB ASP 1 -10.462 -1.316 12.035
7 H ALA 2 H ALA 2 -11.657 -4.712 12.450
8 HA ALA 2 HA ALA 2 -12.386 -5.812 14.360
9 1HB ALA 2 3HB ALA 2 -11.930 -3.000 15.464
10 2HB ALA 2 2HB ALA 2 -12.040 -4.454 16.445
11 3HB ALA 2 1HB ALA 2 -10.720 -4.264 15.305
12 H GLU 3 H GLU 3 -14.487 -6.131 13.471
13 HA GLU 3 HA GLU 3 -16.798 -6.122 13.474
14 1HB GLU 3 2HB GLU 3 -16.108 -6.765 15.874
15 2HB GLU 3 1HB GLU 3 -16.432 -5.111 16.326
16 1HG GLU 3 2HG GLU 3 -18.765 -6.002 14.898
17 2HG GLU 3 1HG GLU 3 -18.297 -7.340 15.926
18 H PHE 4 H PHE 4 -15.440 -3.724 12.668
19 HA PHE 4 HA PHE 4 -17.707 -1.907 12.557
20 1HB PHE 4 2HB PHE 4 -15.708 -1.516 14.545
21 2HB PHE 4 1HB PHE 4 -15.474 -0.267 13.348
22 HD1 PHE 4 HD2 PHE 4 -17.280 1.382 12.887
23 HD2 PHE 4 HD1 PHE 4 -17.741 -1.604 15.899
24 HE1 PHE 4 HE2 PHE 4 -19.188 2.606 13.813
25 HE2 PHE 4 HE1 PHE 4 -19.649 -0.374 16.820
26 HZ PHE 4 HZ PHE 4 -20.378 1.733 15.781
27 H ARG 5 H ARG 5 -16.608 0.271 11.570
28 HA ARG 5 HA ARG 5 -14.657 -0.273 9.505
29 1HB ARG 5 2HB ARG 5 -17.094 -0.952 8.695
30 2HB ARG 5 1HB ARG 5 -17.393 0.773 8.647
31 1HG ARG 5 2HG ARG 5 -15.000 0.679 7.318
32 2HG ARG 5 1HG ARG 5 -15.589 -0.930 6.962
33 1HD ARG 5 2HD ARG 5 -16.300 0.651 5.176
34 2HD ARG 5 1HD ARG 5 -17.707 0.062 6.048
35 HE ARG 5 HE ARG 5 -18.087 2.233 6.829
36 1HH1 ARG 5 2HH1 ARG 5 -14.838 1.954 5.658
37 2HH1 ARG 5 1HH1 ARG 5 -14.513 3.646 5.817
38 1HH2 ARG 5 1HH2 ARG 5 -17.702 4.372 7.040
39 2HH2 ARG 5 2HH2 ARG 5 -16.161 5.038 6.614
40 H HIS 6 H HIS 6 -14.714 1.292 11.780
41 HA HIS 6 HA HIS 6 -15.180 4.067 11.019
42 1HB HIS 6 2HB HIS 6 -15.558 2.955 13.353
43 2HB HIS 6 1HB HIS 6 -13.826 3.176 13.525
44 HD1 HIS 6 HD1 HIS 6 -13.140 5.825 12.930
45 HD2 HIS 6 HD2 HIS 6 -16.989 5.165 14.120
46 HE1 HIS 6 HE1 HIS 6 -14.027 8.009 13.649
47 H ASP 7 H ASP 7 -13.462 3.101 9.258
48 HA ASP 7 HA ASP 7 -10.698 3.311 9.969
49 1HB ASP 7 2HB ASP 7 -11.855 2.080 7.950
50 2HB ASP 7 1HB ASP 7 -11.764 3.626 7.130
51 H SER 8 H SER 8 -10.499 5.257 11.009
52 HA SER 8 HA SER 8 -10.007 7.501 11.270
53 1HB SER 8 2HB SER 8 -8.653 6.841 9.041
54 2HB SER 8 1HB SER 8 -9.837 7.899 8.256
55 HG SER 8 HG SER 8 -7.760 8.564 9.785
56 H GLY 9 H GLY 9 -10.620 9.786 10.176
57 1HA GLY 9 2HA GLY 9 -13.488 10.042 10.540
58 2HA GLY 9 1HA GLY 9 -12.377 11.343 10.100
59 H TYR 10 H TYR 10 -11.301 9.880 7.828
60 HA TYR 10 HA TYR 10 -13.434 9.403 5.953
61 1HB TYR 10 2HB TYR 10 -13.206 11.902 5.966
62 2HB TYR 10 1HB TYR 10 -11.480 11.724 5.663
63 HD1 TYR 10 HD2 TYR 10 -14.851 11.335 4.173
64 HD2 TYR 10 HD1 TYR 10 -10.662 11.038 3.445
65 HE1 TYR 10 HE2 TYR 10 -15.275 11.175 1.766
66 HE2 TYR 10 HE1 TYR 10 -11.092 10.879 1.042
67 HH TYR 10 HH TYR 10 -13.781 11.775 -0.411
68 H GLU 11 H GLU 11 -12.731 7.762 4.775
69 HA GLU 11 HA GLU 11 -10.120 7.633 3.648
70 1HB GLU 11 2HB GLU 11 -10.115 6.908 6.315
71 2HB GLU 11 1HB GLU 11 -10.442 5.354 5.616
72 1HG GLU 11 2HG GLU 11 -8.192 7.102 4.537
73 2HG GLU 11 1HG GLU 11 -7.959 6.163 5.996
74 H VAL 12 H VAL 12 -11.422 7.366 1.861
75 HA VAL 12 HA VAL 12 -13.288 5.223 1.554
76 HB VAL 12 HB VAL 12 -13.582 7.123 0.193
77 1HG1 VAL 12 1HG1 VAL 12 -10.679 6.784 -0.680
78 2HG1 VAL 12 3HG1 VAL 12 -11.795 7.822 -1.547
79 3HG1 VAL 12 2HG1 VAL 12 -11.401 8.170 0.123
80 1HG2 VAL 12 3HG2 VAL 12 -13.995 4.912 -0.968
81 2HG2 VAL 12 2HG2 VAL 12 -13.757 6.277 -2.041
82 3HG2 VAL 12 1HG2 VAL 12 -12.457 5.126 -1.789
83 H HIS 13 H HIS 13 -13.110 3.433 0.304
84 HA HIS 13 HA HIS 13 -12.196 1.332 -0.097
85 1HB HIS 13 2HB HIS 13 -11.937 2.715 -2.143
86 2HB HIS 13 1HB HIS 13 -10.314 3.161 -1.636
87 HD1 HIS 13 HD1 HIS 13 -9.402 1.898 -3.769
88 HD2 HIS 13 HD2 HIS 13 -11.317 -0.607 -1.179
89 HE1 HIS 13 HE1 HIS 13 -8.824 -0.396 -4.465
90 H HIS 14 H HIS 14 -11.370 2.416 2.279
91 HA HIS 14 HA HIS 14 -8.606 2.337 2.848
92 1HB HIS 14 2HB HIS 14 -9.321 2.027 5.186
93 2HB HIS 14 1HB HIS 14 -10.287 3.258 4.408
94 HD1 HIS 14 HD1 HIS 14 -10.655 0.262 6.293
95 HD2 HIS 14 HD2 HIS 14 -12.932 2.143 3.475
96 HE1 HIS 14 HE1 HIS 14 -12.925 -0.684 6.491
97 H GLN 15 H GLN 15 -7.285 0.774 2.496
98 HA GLN 15 HA GLN 15 -7.494 -1.819 3.674
99 1HB GLN 15 2HB GLN 15 -8.211 -1.426 0.783
100 2HB GLN 15 1HB GLN 15 -7.055 -2.708 1.057
101 1HG GLN 15 2HG GLN 15 -8.586 -4.101 1.974
102 2HG GLN 15 1HG GLN 15 -9.325 -2.851 2.955
103 1HE2 GLN 15 2HE2 GLN 15 -11.638 -1.872 0.354
104 2HE2 GLN 15 1HE2 GLN 15 -10.697 -1.202 1.597
105 H LYS 16 H LYS 16 -6.061 -0.170 0.932
106 HA LYS 16 HA LYS 16 -3.476 -1.213 1.018
107 1HB LYS 16 2HB LYS 16 -4.564 1.466 0.085
108 2HB LYS 16 1HB LYS 16 -2.878 1.046 -0.111
109 1HG LYS 16 2HG LYS 16 -3.888 0.412 -2.164
110 2HG LYS 16 1HG LYS 16 -3.643 -1.093 -1.306
111 1HD LYS 16 2HD LYS 16 -5.955 -1.322 -0.777
112 2HD LYS 16 1HD LYS 16 -6.295 0.378 -1.054
113 1HE LYS 16 2HE LYS 16 -5.371 -1.457 -3.297
114 2HE LYS 16 1HE LYS 16 -7.066 -1.275 -2.877
115 1HZ LYS 16 3HZ LYS 16 -5.935 1.273 -3.052
116 2HZ LYS 16 2HZ LYS 16 -5.481 0.403 -4.437
117 3HZ LYS 16 1HZ LYS 16 -7.123 0.573 -4.041
118 H LEU 17 H LEU 17 -4.932 1.045 3.112
119 HA LEU 17 HA LEU 17 -2.876 2.609 4.122
120 1HB LEU 17 2HB LEU 17 -4.163 2.688 6.229
121 2HB LEU 17 1HB LEU 17 -5.205 2.805 4.835
122 HG LEU 17 HG LEU 17 -5.149 0.027 5.274
123 1HD1 LEU 17 2HD1 LEU 17 -3.947 0.404 7.452
124 2HD1 LEU 17 1HD1 LEU 17 -5.288 1.402 7.992
125 3HD1 LEU 17 3HD1 LEU 17 -5.532 -0.308 7.678
126 1HD2 LEU 17 1HD2 LEU 17 -7.129 1.443 4.773
127 2HD2 LEU 17 3HD2 LEU 17 -7.442 0.309 6.076
128 3HD2 LEU 17 2HD2 LEU 17 -7.136 2.002 6.438
129 H VAL 18 H VAL 18 -3.408 -0.823 4.759
130 HA VAL 18 HA VAL 18 -1.691 -1.100 6.974
131 HB VAL 18 HB VAL 18 -1.776 -3.542 6.343
132 1HG1 VAL 18 2HG1 VAL 18 -3.698 -2.362 7.481
133 2HG1 VAL 18 1HG1 VAL 18 -4.448 -2.171 5.902
134 3HG1 VAL 18 3HG1 VAL 18 -4.176 -3.779 6.554
135 1HG2 VAL 18 2HG2 VAL 18 -2.756 -2.432 3.711
136 2HG2 VAL 18 1HG2 VAL 18 -1.671 -3.772 4.030
137 3HG2 VAL 18 3HG2 VAL 18 -3.394 -3.964 4.271
138 H PHE 19 H PHE 19 -1.064 -1.820 3.546
139 HA PHE 19 HA PHE 19 1.694 -2.314 3.810
140 1HB PHE 19 2HB PHE 19 0.296 -1.180 1.346
141 2HB PHE 19 1HB PHE 19 1.749 -2.166 1.357
142 HD1 PHE 19 HD2 PHE 19 1.391 -4.493 2.774
143 HD2 PHE 19 HD1 PHE 19 -1.677 -2.293 0.798
144 HE1 PHE 19 HE2 PHE 19 0.011 -6.515 2.659
145 HE2 PHE 19 HE1 PHE 19 -3.055 -4.317 0.685
146 HZ PHE 19 HZ PHE 19 -2.215 -6.434 1.615
147 H PHE 20 H PHE 20 -0.068 0.608 3.046
148 HA PHE 20 HA PHE 20 1.972 2.358 2.416
149 1HB PHE 20 2HB PHE 20 -0.780 2.598 3.524
150 2HB PHE 20 1HB PHE 20 0.218 4.011 3.804
151 HD1 PHE 20 HD1 PHE 20 1.750 4.609 1.589
152 HD2 PHE 20 HD2 PHE 20 -2.052 2.678 1.555
153 HE1 PHE 20 HE1 PHE 20 1.396 5.336 -0.723
154 HE2 PHE 20 HE2 PHE 20 -2.398 3.407 -0.758
155 HZ PHE 20 HZ PHE 20 -0.677 4.738 -1.904
156 H ALA 21 H ALA 21 1.630 0.899 5.469
157 HA ALA 21 HA ALA 21 3.554 2.822 6.581
158 1HB ALA 21 3HB ALA 21 1.283 1.378 8.057
159 2HB ALA 21 2HB ALA 21 2.454 2.431 8.838
160 3HB ALA 21 1HB ALA 21 1.304 3.095 7.689
161 H GLU 22 H GLU 22 2.379 -0.500 6.671
162 HA GLU 22 HA GLU 22 4.655 -1.409 8.155
163 1HB GLU 22 2HB GLU 22 2.567 -2.825 6.558
164 2HB GLU 22 1HB GLU 22 3.757 -3.666 7.521
165 1HG GLU 22 2HG GLU 22 2.878 -2.714 9.506
166 2HG GLU 22 1HG GLU 22 1.899 -1.543 8.654
167 H ASP 23 H ASP 23 3.569 -1.746 4.804
168 HA ASP 23 HA ASP 23 5.934 -3.036 3.930
169 1HB ASP 23 2HB ASP 23 3.512 -2.459 2.752
170 2HB ASP 23 1HB ASP 23 4.590 -1.361 1.913
171 H VAL 24 H VAL 24 5.127 0.438 3.975
172 HA VAL 24 HA VAL 24 7.382 1.267 2.482
173 HB VAL 24 HB VAL 24 7.172 3.421 3.731
174 1HG1 VAL 24 1HG1 VAL 24 5.655 2.818 1.829
175 2HG1 VAL 24 3HG1 VAL 24 4.507 2.161 2.987
176 3HG1 VAL 24 2HG1 VAL 24 4.865 3.886 2.987
177 1HG2 VAL 24 1HG2 VAL 24 5.133 1.927 5.347
178 2HG2 VAL 24 3HG2 VAL 24 6.624 2.610 5.986
179 3HG2 VAL 24 2HG2 VAL 24 5.349 3.668 5.409
180 H GLY 25 H GLY 25 6.903 0.402 5.762
181 1HA GLY 25 2HA GLY 25 9.477 1.036 6.835
182 2HA GLY 25 1HA GLY 25 8.345 -0.123 7.540
183 H SER 26 H SER 26 8.066 -1.998 5.669
184 HA SER 26 HA SER 26 10.198 -3.747 5.943
185 1HB SER 26 2HB SER 26 8.112 -3.700 3.699
186 2HB SER 26 1HB SER 26 9.038 -5.115 4.205
187 HG SER 26 HG SER 26 7.681 -5.325 5.769
188 H ASN 27 H ASN 27 9.388 -1.943 3.018
189 HA ASN 27 HA ASN 27 11.897 -2.593 1.727
190 1HB ASN 27 2HB ASN 27 10.901 -1.147 -0.136
191 2HB ASN 27 1HB ASN 27 9.928 -2.516 0.345
192 1HD2 ASN 27 2HD2 ASN 27 7.290 -0.353 0.740
193 2HD2 ASN 27 1HD2 ASN 27 7.861 -1.830 0.135
194 H LYS 28 H LYS 28 12.776 -0.467 0.484
195 HA LYS 28 HA LYS 28 14.191 1.364 0.704
196 1HB LYS 28 2HB LYS 28 11.977 2.328 2.587
197 2HB LYS 28 1HB LYS 28 13.140 3.351 1.762
198 1HG LYS 28 2HG LYS 28 12.281 2.752 -0.400
199 2HG LYS 28 1HG LYS 28 11.269 1.490 0.266
200 1HD LYS 28 2HD LYS 28 10.083 3.334 1.641
201 2HD LYS 28 1HD LYS 28 10.923 4.494 0.627
202 1HE LYS 28 2HE LYS 28 9.086 2.288 -0.415
203 2HE LYS 28 1HE LYS 28 8.630 3.973 -0.230
204 1HZ LYS 28 3HZ LYS 28 11.019 3.877 -1.669
205 2HZ LYS 28 2HZ LYS 28 9.946 2.763 -2.366
206 3HZ LYS 28 1HZ LYS 28 9.488 4.389 -2.192
207 H GLY 29 H GLY 29 14.517 -0.797 2.414
208 1HA GLY 29 2HA GLY 29 16.652 -0.010 4.052
209 2HA GLY 29 1HA GLY 29 15.221 -0.122 5.088
210 H ALA 30 H ALA 30 15.643 -2.088 2.283
211 HA ALA 30 HA ALA 30 16.794 -4.388 3.543
212 1HB ALA 30 3HB ALA 30 14.459 -4.470 4.525
213 2HB ALA 30 2HB ALA 30 13.809 -4.510 2.893
214 3HB ALA 30 1HB ALA 30 14.780 -5.848 3.486
215 H ILE 31 H ILE 31 15.342 -2.774 0.929
216 HA ILE 31 HA ILE 31 15.075 -4.480 -1.173
217 HB ILE 31 HB ILE 31 16.549 -1.884 -1.293
218 1HG1 ILE 31 2HG1 ILE 31 14.478 -1.462 -0.098
219 2HG1 ILE 31 1HG1 ILE 31 14.277 -0.849 -1.719
220 1HG2 ILE 31 1HG2 ILE 31 15.147 -3.530 -3.412
221 2HG2 ILE 31 3HG2 ILE 31 15.300 -1.792 -3.606
222 3HG2 ILE 31 2HG2 ILE 31 16.735 -2.787 -3.468
223 1HD1 ILE 31 3HD1 ILE 31 13.286 -3.350 -2.127
224 2HD1 ILE 31 2HD1 ILE 31 12.942 -3.188 -0.414
225 3HD1 ILE 31 1HD1 ILE 31 12.294 -2.026 -1.559
226 H ILE 32 H ILE 32 18.152 -3.588 0.200
227 HA ILE 32 HA ILE 32 19.977 -4.267 -1.757
228 HB ILE 32 HB ILE 32 20.512 -3.293 0.462
229 1HG1 ILE 32 2HG1 ILE 32 22.164 -5.834 0.180
230 2HG1 ILE 32 1HG1 ILE 32 22.240 -4.576 -1.036
231 1HG2 ILE 32 1HG2 ILE 32 19.048 -4.840 1.823
232 2HG2 ILE 32 3HG2 ILE 32 20.231 -6.117 1.589
233 3HG2 ILE 32 2HG2 ILE 32 20.663 -4.667 2.477
234 1HD1 ILE 32 2HD1 ILE 32 22.825 -2.918 0.778
235 2HD1 ILE 32 1HD1 ILE 32 22.897 -4.254 1.917
236 3HD1 ILE 32 3HD1 ILE 32 24.021 -4.185 0.571
237 H GLY 33 H GLY 33 18.092 -6.485 0.152
238 1HA GLY 33 2HA GLY 33 19.216 -8.810 -1.356
239 2HA GLY 33 1HA GLY 33 18.892 -8.900 0.379
240 H LEU 34 H LEU 34 16.580 -7.161 0.131
241 HA LEU 34 HA LEU 34 14.306 -7.276 -0.015
242 1HB LEU 34 2HB LEU 34 15.252 -7.473 -2.568
243 2HB LEU 34 1HB LEU 34 14.406 -8.999 -2.511
244 HG LEU 34 HG LEU 34 13.119 -6.341 -1.708
245 1HD1 LEU 34 3HD1 LEU 34 12.995 -7.784 -4.390
246 2HD1 LEU 34 2HD1 LEU 34 12.054 -6.367 -3.952
247 3HD1 LEU 34 1HD1 LEU 34 13.799 -6.251 -4.087
248 1HD2 LEU 34 1HD2 LEU 34 11.994 -9.112 -2.330
249 2HD2 LEU 34 3HD2 LEU 34 11.919 -8.264 -0.793
250 3HD2 LEU 34 2HD2 LEU 34 10.997 -7.676 -2.162
251 1HN SME 35 HN MEO 35 14.586 -8.610 1.866
252 HA SME 35 HA MEO 35 12.998 -11.017 1.686
253 1HB SME 35 1HB MEO 35 15.635 -11.432 3.153
254 2HB SME 35 2HB MEO 35 15.681 -11.486 1.409
255 1HG SME 35 1HG MEO 35 15.280 -13.731 2.597
256 2HG SME 35 2HG MEO 35 14.173 -13.333 1.291
257 1HE SME 35 1HE MEO 35 13.628 -15.528 3.532
258 2HE SME 35 2HE MEO 35 12.601 -15.155 2.146
259 3HE SME 35 3HE MEO 35 11.907 -15.231 3.764
260 H VAL 36 H VAL 36 11.792 -9.343 2.743
261 HA VAL 36 HA VAL 36 12.505 -8.545 5.446
262 HB VAL 36 HB VAL 36 9.845 -8.155 4.191
263 1HG1 VAL 36 1HG1 VAL 36 10.961 -7.272 6.618
264 2HG1 VAL 36 3HG1 VAL 36 11.114 -5.866 5.591
265 3HG1 VAL 36 2HG1 VAL 36 9.540 -6.593 5.856
266 1HG2 VAL 36 1HG2 VAL 36 12.416 -6.703 3.455
267 2HG2 VAL 36 3HG2 VAL 36 11.236 -7.420 2.372
268 3HG2 VAL 36 2HG2 VAL 36 10.856 -5.937 3.223
269 H GLY 37 H GLY 37 11.531 -11.346 4.298
270 1HA GLY 37 2HA GLY 37 10.469 -13.240 5.147
271 2HA GLY 37 1HA GLY 37 10.660 -12.498 6.730
272 H GLY 38 H GLY 38 8.893 -10.723 4.413
273 1HA GLY 38 2HA GLY 38 6.692 -10.046 4.281
274 2HA GLY 38 1HA GLY 38 6.284 -11.731 4.600
275 H VAL 39 H VAL 39 8.011 -9.538 6.692
276 HA VAL 39 HA VAL 39 6.084 -9.943 8.840
277 HB VAL 39 HB VAL 39 8.659 -10.138 9.039
278 1HG1 VAL 39 1HG1 VAL 39 8.885 -7.789 7.799
279 2HG1 VAL 39 3HG1 VAL 39 8.775 -7.151 9.428
280 3HG1 VAL 39 2HG1 VAL 39 10.053 -8.278 9.012
281 1HG2 VAL 39 2HG2 VAL 39 7.134 -9.984 11.021
282 2HG2 VAL 39 1HG2 VAL 39 8.723 -9.301 11.318
283 3HG2 VAL 39 3HG2 VAL 39 7.354 -8.242 11.032
284 H VAL 40 H VAL 40 5.416 -8.414 6.567
285 HA VAL 40 HA VAL 40 5.406 -5.604 7.029
286 HB VAL 40 HB VAL 40 3.503 -7.323 5.340
287 1HG1 VAL 40 2HG1 VAL 40 4.146 -4.347 5.204
288 2HG1 VAL 40 1HG1 VAL 40 3.197 -5.215 4.010
289 3HG1 VAL 40 3HG1 VAL 40 2.593 -5.040 5.645
290 1HG2 VAL 40 2HG2 VAL 40 5.945 -7.593 4.759
291 2HG2 VAL 40 1HG2 VAL 40 5.018 -6.848 3.472
292 3HG2 VAL 40 3HG2 VAL 40 6.042 -5.859 4.496
No H/Q in entry = 292
Start of MODEL 9
1 1H ASP 1 3H ASP 1 -6.615 11.456 -5.111
2 2H ASP 1 2H ASP 1 -8.005 10.488 -5.084
3 3H ASP 1 1H ASP 1 -6.491 9.789 -5.405
4 HA ASP 1 HA ASP 1 -6.753 10.106 -7.548
5 1HB ASP 1 2HB ASP 1 -8.938 10.861 -8.399
6 2HB ASP 1 1HB ASP 1 -9.209 9.886 -6.965
7 H ALA 2 H ALA 2 -6.935 11.742 -9.322
8 HA ALA 2 HA ALA 2 -6.037 13.617 -10.352
9 1HB ALA 2 2HB ALA 2 -8.148 14.540 -9.279
10 2HB ALA 2 1HB ALA 2 -7.179 15.079 -7.918
11 3HB ALA 2 3HB ALA 2 -6.901 15.752 -9.517
12 H GLU 3 H GLU 3 -4.029 12.407 -9.450
13 HA GLU 3 HA GLU 3 -1.871 12.464 -8.664
14 1HB GLU 3 2HB GLU 3 -1.947 14.299 -10.386
15 2HB GLU 3 1HB GLU 3 -2.284 15.466 -9.137
16 1HG GLU 3 2HG GLU 3 0.127 13.863 -8.520
17 2HG GLU 3 1HG GLU 3 0.252 14.628 -10.091
18 H PHE 4 H PHE 4 -4.002 12.742 -6.689
19 HA PHE 4 HA PHE 4 -3.679 14.440 -4.580
20 1HB PHE 4 2HB PHE 4 -4.423 12.601 -3.106
21 2HB PHE 4 1HB PHE 4 -5.334 12.621 -4.590
22 HD1 PHE 4 HD1 PHE 4 -4.518 10.993 -6.495
23 HD2 PHE 4 HD2 PHE 4 -3.289 10.639 -2.429
24 HE1 PHE 4 HE1 PHE 4 -3.862 8.674 -6.893
25 HE2 PHE 4 HE2 PHE 4 -2.632 8.312 -2.835
26 HZ PHE 4 HZ PHE 4 -2.918 7.324 -5.069
27 H ARG 5 H ARG 5 -2.352 14.848 -2.972
28 HA ARG 5 HA ARG 5 0.334 13.754 -2.989
29 1HB ARG 5 2HB ARG 5 -1.020 15.920 -1.300
30 2HB ARG 5 1HB ARG 5 0.681 15.526 -1.215
31 1HG ARG 5 2HG ARG 5 0.798 17.269 -2.739
32 2HG ARG 5 1HG ARG 5 0.621 15.938 -3.859
33 1HD ARG 5 2HD ARG 5 -2.037 16.855 -3.023
34 2HD ARG 5 1HD ARG 5 -1.085 18.218 -3.583
35 HE ARG 5 HE ARG 5 -0.787 16.034 -5.419
36 1HH1 ARG 5 2HH1 ARG 5 -3.054 18.411 -4.312
37 2HH1 ARG 5 1HH1 ARG 5 -3.903 18.471 -5.819
38 1HH2 ARG 5 1HH2 ARG 5 -1.866 16.108 -7.354
39 2HH2 ARG 5 2HH2 ARG 5 -3.228 17.156 -7.554
40 H HIS 6 H HIS 6 -0.473 11.698 -2.511
41 HA HIS 6 HA HIS 6 -1.146 9.891 -1.272
42 1HB HIS 6 2HB HIS 6 0.462 9.509 0.469
43 2HB HIS 6 1HB HIS 6 1.254 10.433 -0.780
44 HD1 HIS 6 HD1 HIS 6 1.852 12.877 -0.176
45 HD2 HIS 6 HD2 HIS 6 0.182 10.886 2.973
46 HE1 HIS 6 HE1 HIS 6 2.250 14.272 1.819
47 H ASP 7 H ASP 7 -3.008 11.905 -1.047
48 HA ASP 7 HA ASP 7 -4.506 11.030 1.233
49 1HB ASP 7 2HB ASP 7 -3.051 12.749 2.348
50 2HB ASP 7 1HB ASP 7 -3.563 13.947 1.174
51 H SER 8 H SER 8 -6.447 10.822 0.424
52 HA SER 8 HA SER 8 -7.982 12.898 -0.744
53 1HB SER 8 2HB SER 8 -8.236 11.668 -3.070
54 2HB SER 8 1HB SER 8 -6.743 12.582 -2.828
55 HG SER 8 HG SER 8 -5.712 10.774 -2.913
56 H GLY 9 H GLY 9 -9.905 12.427 -0.004
57 1HA GLY 9 2HA GLY 9 -11.892 11.251 0.398
58 2HA GLY 9 1HA GLY 9 -11.204 9.859 -0.429
59 H TYR 10 H TYR 10 -12.150 11.081 2.514
60 HA TYR 10 HA TYR 10 -10.649 9.030 4.033
61 1HB TYR 10 2HB TYR 10 -10.068 11.453 4.620
62 2HB TYR 10 1HB TYR 10 -11.746 11.698 5.080
63 HD1 TYR 10 HD2 TYR 10 -8.834 9.436 5.775
64 HD2 TYR 10 HD1 TYR 10 -12.392 11.206 7.310
65 HE1 TYR 10 HE2 TYR 10 -8.344 8.511 7.987
66 HE2 TYR 10 HE1 TYR 10 -11.898 10.279 9.519
67 HH TYR 10 HH TYR 10 -10.388 8.055 10.284
68 H GLU 11 H GLU 11 -12.399 7.770 3.122
69 HA GLU 11 HA GLU 11 -14.418 7.279 5.071
70 1HB GLU 11 2HB GLU 11 -15.096 9.203 3.072
71 2HB GLU 11 1HB GLU 11 -15.880 7.736 2.536
72 1HG GLU 11 2HG GLU 11 -16.116 8.781 5.391
73 2HG GLU 11 1HG GLU 11 -17.243 9.227 4.122
74 H VAL 12 H VAL 12 -12.976 6.718 2.016
75 HA VAL 12 HA VAL 12 -14.262 4.337 1.223
76 HB VAL 12 HB VAL 12 -12.940 5.577 -0.329
77 1HG1 VAL 12 3HG1 VAL 12 -10.762 5.341 1.737
78 2HG1 VAL 12 2HG1 VAL 12 -10.287 5.512 0.057
79 3HG1 VAL 12 1HG1 VAL 12 -11.269 6.747 0.821
80 1HG2 VAL 12 2HG2 VAL 12 -12.896 3.053 -0.603
81 2HG2 VAL 12 1HG2 VAL 12 -11.630 3.940 -1.432
82 3HG2 VAL 12 3HG2 VAL 12 -11.267 3.092 0.054
83 H HIS 13 H HIS 13 -13.332 2.236 1.141
84 HA HIS 13 HA HIS 13 -12.205 1.373 3.720
85 1HB HIS 13 2HB HIS 13 -14.457 0.489 2.625
86 2HB HIS 13 1HB HIS 13 -13.395 -0.505 1.647
87 HD1 HIS 13 HD1 HIS 13 -15.280 -1.572 3.935
88 HD2 HIS 13 HD2 HIS 13 -11.254 -1.036 4.341
89 HE1 HIS 13 HE1 HIS 13 -14.564 -3.050 5.775
90 H HIS 14 H HIS 14 -10.559 2.554 1.924
91 HA HIS 14 HA HIS 14 -9.066 0.864 0.189
92 1HB HIS 14 2HB HIS 14 -7.271 2.696 0.514
93 2HB HIS 14 1HB HIS 14 -8.828 3.226 -0.085
94 HD1 HIS 14 HD1 HIS 14 -7.895 5.521 1.014
95 HD2 HIS 14 HD2 HIS 14 -9.062 2.705 3.730
96 HE1 HIS 14 HE1 HIS 14 -8.214 6.705 3.152
97 H GLN 15 H GLN 15 -8.843 -1.069 1.440
98 HA GLN 15 HA GLN 15 -7.565 -1.465 3.861
99 1HB GLN 15 2HB GLN 15 -7.077 -3.746 3.059
100 2HB GLN 15 1HB GLN 15 -8.687 -3.237 2.579
101 1HG GLN 15 2HG GLN 15 -7.710 -2.543 0.332
102 2HG GLN 15 1HG GLN 15 -6.190 -3.275 0.843
103 1HE2 GLN 15 2HE2 GLN 15 -9.373 -5.677 -0.105
104 2HE2 GLN 15 1HE2 GLN 15 -9.627 -4.027 0.206
105 H LYS 16 H LYS 16 -6.096 -0.521 0.905
106 HA LYS 16 HA LYS 16 -3.480 -1.380 1.074
107 1HB LYS 16 2HB LYS 16 -4.783 1.119 -0.013
108 2HB LYS 16 1HB LYS 16 -3.039 1.011 -0.030
109 1HG LYS 16 2HG LYS 16 -3.753 0.167 -2.147
110 2HG LYS 16 1HG LYS 16 -3.256 -1.235 -1.222
111 1HD LYS 16 2HD LYS 16 -5.551 -1.841 -0.740
112 2HD LYS 16 1HD LYS 16 -6.164 -0.311 -1.337
113 1HE LYS 16 2HE LYS 16 -4.657 -2.285 -3.106
114 2HE LYS 16 1HE LYS 16 -6.405 -2.301 -2.933
115 1HZ LYS 16 3HZ LYS 16 -5.607 0.326 -3.437
116 2HZ LYS 16 2HZ LYS 16 -4.847 -0.678 -4.573
117 3HZ LYS 16 1HZ LYS 16 -6.536 -0.706 -4.414
118 H LEU 17 H LEU 17 -5.033 0.959 3.042
119 HA LEU 17 HA LEU 17 -2.998 2.562 4.020
120 1HB LEU 17 2HB LEU 17 -5.600 1.542 5.031
121 2HB LEU 17 1HB LEU 17 -4.506 1.966 6.321
122 HG LEU 17 HG LEU 17 -6.009 3.849 5.594
123 1HD1 LEU 17 2HD1 LEU 17 -3.769 4.221 6.705
124 2HD1 LEU 17 1HD1 LEU 17 -3.065 4.471 5.115
125 3HD1 LEU 17 3HD1 LEU 17 -4.306 5.562 5.709
126 1HD2 LEU 17 1HD2 LEU 17 -5.895 3.253 3.104
127 2HD2 LEU 17 3HD2 LEU 17 -5.739 4.957 3.489
128 3HD2 LEU 17 2HD2 LEU 17 -4.318 4.020 3.069
129 H VAL 18 H VAL 18 -3.463 -0.854 4.746
130 HA VAL 18 HA VAL 18 -1.783 -0.973 7.010
131 HB VAL 18 HB VAL 18 -1.749 -3.439 6.480
132 1HG1 VAL 18 3HG1 VAL 18 -3.712 -2.336 7.576
133 2HG1 VAL 18 2HG1 VAL 18 -4.459 -2.158 5.995
134 3HG1 VAL 18 1HG1 VAL 18 -4.162 -3.762 6.646
135 1HG2 VAL 18 3HG2 VAL 18 -2.754 -2.486 3.794
136 2HG2 VAL 18 2HG2 VAL 18 -1.624 -3.771 4.182
137 3HG2 VAL 18 1HG2 VAL 18 -3.341 -4.014 4.417
138 H PHE 19 H PHE 19 -1.087 -1.819 3.624
139 HA PHE 19 HA PHE 19 1.683 -2.223 3.891
140 1HB PHE 19 2HB PHE 19 0.278 -1.142 1.410
141 2HB PHE 19 1HB PHE 19 1.734 -2.122 1.442
142 HD1 PHE 19 HD1 PHE 19 1.332 -4.410 2.984
143 HD2 PHE 19 HD2 PHE 19 -1.634 -2.296 0.771
144 HE1 PHE 19 HE1 PHE 19 -0.044 -6.436 2.884
145 HE2 PHE 19 HE2 PHE 19 -3.009 -4.324 0.676
146 HZ PHE 19 HZ PHE 19 -2.218 -6.400 1.732
147 H PHE 20 H PHE 20 -0.150 0.656 3.170
148 HA PHE 20 HA PHE 20 1.749 2.492 2.437
149 1HB PHE 20 2HB PHE 20 -0.864 2.597 3.805
150 2HB PHE 20 1HB PHE 20 0.127 3.990 4.186
151 HD1 PHE 20 HD2 PHE 20 1.285 5.168 2.123
152 HD2 PHE 20 HD1 PHE 20 -2.092 2.586 1.794
153 HE1 PHE 20 HE2 PHE 20 0.737 6.149 -0.057
154 HE2 PHE 20 HE1 PHE 20 -2.632 3.568 -0.382
155 HZ PHE 20 HZ PHE 20 -1.220 5.352 -1.315
156 H ALA 21 H ALA 21 1.530 1.068 5.586
157 HA ALA 21 HA ALA 21 3.714 2.819 6.510
158 1HB ALA 21 3HB ALA 21 1.581 3.220 7.781
159 2HB ALA 21 2HB ALA 21 1.501 1.510 8.170
160 3HB ALA 21 1HB ALA 21 2.789 2.504 8.835
161 H GLU 22 H GLU 22 2.357 -0.429 6.623
162 HA GLU 22 HA GLU 22 4.564 -1.564 8.020
163 1HB GLU 22 2HB GLU 22 2.486 -2.788 6.249
164 2HB GLU 22 1HB GLU 22 3.533 -3.719 7.293
165 1HG GLU 22 2HG GLU 22 2.482 -2.988 9.185
166 2HG GLU 22 1HG GLU 22 1.927 -1.474 8.522
167 H ASP 23 H ASP 23 3.588 -1.588 4.627
168 HA ASP 23 HA ASP 23 5.871 -2.964 3.701
169 1HB ASP 23 2HB ASP 23 3.566 -2.241 2.505
170 2HB ASP 23 1HB ASP 23 4.590 -0.944 1.929
171 H VAL 24 H VAL 24 5.316 0.548 3.907
172 HA VAL 24 HA VAL 24 7.736 1.291 2.635
173 HB VAL 24 HB VAL 24 7.526 3.410 3.928
174 1HG1 VAL 24 3HG1 VAL 24 6.096 2.923 1.910
175 2HG1 VAL 24 2HG1 VAL 24 4.852 2.299 2.981
176 3HG1 VAL 24 1HG1 VAL 24 5.286 4.001 3.045
177 1HG2 VAL 24 1HG2 VAL 24 5.270 2.014 5.326
178 2HG2 VAL 24 3HG2 VAL 24 6.766 2.511 6.111
179 3HG2 VAL 24 2HG2 VAL 24 5.647 3.717 5.502
180 H GLY 25 H GLY 25 6.947 0.288 5.801
181 1HA GLY 25 2HA GLY 25 9.461 0.736 7.098
182 2HA GLY 25 1HA GLY 25 8.199 -0.345 7.675
183 H SER 26 H SER 26 8.028 -2.168 5.588
184 HA SER 26 HA SER 26 10.198 -3.903 6.144
185 1HB SER 26 2HB SER 26 9.049 -5.480 4.637
186 2HB SER 26 1HB SER 26 7.839 -4.633 5.606
187 HG SER 26 HG SER 26 8.190 -4.613 2.957
188 H ASN 27 H ASN 27 9.459 -2.167 3.125
189 HA ASN 27 HA ASN 27 11.644 -3.303 1.680
190 1HB ASN 27 2HB ASN 27 11.140 -1.362 0.051
191 2HB ASN 27 1HB ASN 27 9.879 -2.530 0.356
192 1HD2 ASN 27 2HD2 ASN 27 7.802 0.127 1.024
193 2HD2 ASN 27 1HD2 ASN 27 8.058 -1.323 0.186
194 H LYS 28 H LYS 28 13.389 -2.137 0.756
195 HA LYS 28 HA LYS 28 14.397 0.325 1.829
196 1HB LYS 28 2HB LYS 28 16.488 -0.758 2.865
197 2HB LYS 28 1HB LYS 28 15.025 -1.034 3.772
198 1HG LYS 28 2HG LYS 28 15.535 -3.108 1.682
199 2HG LYS 28 1HG LYS 28 16.800 -3.012 2.879
200 1HD LYS 28 2HD LYS 28 14.069 -2.940 4.062
201 2HD LYS 28 1HD LYS 28 14.387 -4.400 3.153
202 1HE LYS 28 2HE LYS 28 15.042 -4.694 5.511
203 2HE LYS 28 1HE LYS 28 16.469 -4.766 4.488
204 1HZ LYS 28 3HZ LYS 28 16.020 -2.095 5.197
205 2HZ LYS 28 2HZ LYS 28 15.943 -3.038 6.606
206 3HZ LYS 28 1HZ LYS 28 17.321 -3.101 5.617
207 H GLY 29 H GLY 29 13.792 -0.618 -0.658
208 1HA GLY 29 2HA GLY 29 16.228 -0.106 -2.111
209 2HA GLY 29 1HA GLY 29 15.633 -1.761 -2.334
210 H ALA 30 H ALA 30 14.179 1.426 -2.013
211 HA ALA 30 HA ALA 30 13.026 1.350 -4.689
212 1HB ALA 30 2HB ALA 30 11.359 1.330 -2.125
213 2HB ALA 30 1HB ALA 30 10.692 1.826 -3.675
214 3HB ALA 30 3HB ALA 30 11.269 0.182 -3.450
215 H ILE 31 H ILE 31 12.433 3.071 -1.657
216 HA ILE 31 HA ILE 31 12.145 5.652 -2.641
217 HB ILE 31 HB ILE 31 13.507 4.955 -0.072
218 1HG1 ILE 31 2HG1 ILE 31 11.502 3.601 -0.073
219 2HG1 ILE 31 1HG1 ILE 31 11.173 4.974 0.953
220 1HG2 ILE 31 1HG2 ILE 31 12.000 7.411 -1.013
221 2HG2 ILE 31 3HG2 ILE 31 12.180 7.068 0.699
222 3HG2 ILE 31 2HG2 ILE 31 13.599 7.314 -0.297
223 1HD1 ILE 31 2HD1 ILE 31 10.092 6.089 -1.126
224 2HD1 ILE 31 1HD1 ILE 31 10.175 4.502 -1.877
225 3HD1 ILE 31 3HD1 ILE 31 9.231 4.735 -0.419
226 H ILE 32 H ILE 32 15.040 3.854 -2.262
227 HA ILE 32 HA ILE 32 17.036 5.779 -2.118
228 HB ILE 32 HB ILE 32 17.342 3.328 -1.904
229 1HG1 ILE 32 2HG1 ILE 32 19.185 4.270 -4.135
230 2HG1 ILE 32 1HG1 ILE 32 19.266 4.980 -2.536
231 1HG2 ILE 32 3HG2 ILE 32 15.886 2.697 -3.879
232 2HG2 ILE 32 2HG2 ILE 32 17.186 3.196 -4.949
233 3HG2 ILE 32 1HG2 ILE 32 17.421 1.855 -3.840
234 1HD1 ILE 32 1HD1 ILE 32 19.571 2.645 -1.583
235 2HD1 ILE 32 3HD1 ILE 32 19.699 2.052 -3.233
236 3HD1 ILE 32 2HD1 ILE 32 20.884 3.189 -2.613
237 H GLY 33 H GLY 33 15.070 5.020 -4.888
238 1HA GLY 33 2HA GLY 33 16.497 7.102 -6.469
239 2HA GLY 33 1HA GLY 33 16.187 5.528 -7.194
240 H LEU 34 H LEU 34 13.615 5.261 -5.810
241 HA LEU 34 HA LEU 34 11.403 5.537 -6.302
242 1HB LEU 34 2HB LEU 34 12.324 7.854 -5.164
243 2HB LEU 34 1HB LEU 34 11.769 8.526 -6.671
244 HG LEU 34 HG LEU 34 9.939 8.712 -5.142
245 1HD1 LEU 34 3HD1 LEU 34 9.331 7.832 -7.438
246 2HD1 LEU 34 2HD1 LEU 34 9.267 6.215 -6.753
247 3HD1 LEU 34 1HD1 LEU 34 8.163 7.455 -6.187
248 1HD2 LEU 34 1HD2 LEU 34 10.341 5.771 -4.441
249 2HD2 LEU 34 3HD2 LEU 34 10.684 7.152 -3.410
250 3HD2 LEU 34 2HD2 LEU 34 9.030 6.782 -3.857
251 1HN SME 35 HN MEO 35 11.636 4.448 -8.243
252 HA SME 35 HA MEO 35 11.180 4.037 -10.464
253 1HB SME 35 1HB MEO 35 10.312 6.577 -11.519
254 2HB SME 35 2HB MEO 35 9.727 6.524 -9.874
255 1HG SME 35 1HG MEO 35 7.977 5.387 -10.777
256 2HG SME 35 2HG MEO 35 9.031 3.995 -10.659
257 1HE SME 35 1HE MEO 35 7.782 6.353 -14.335
258 2HE SME 35 2HE MEO 35 8.910 7.146 -13.236
259 3HE SME 35 3HE MEO 35 7.337 6.603 -12.650
260 H VAL 36 H VAL 36 12.489 3.830 -12.096
261 HA VAL 36 HA VAL 36 14.984 5.134 -12.285
262 HB VAL 36 HB VAL 36 13.531 3.622 -14.420
263 1HG1 VAL 36 2HG1 VAL 36 16.487 4.219 -13.975
264 2HG1 VAL 36 1HG1 VAL 36 15.937 2.972 -15.082
265 3HG1 VAL 36 3HG1 VAL 36 15.515 4.647 -15.374
266 1HG2 VAL 36 2HG2 VAL 36 15.218 2.635 -12.085
267 2HG2 VAL 36 1HG2 VAL 36 13.555 2.207 -12.455
268 3HG2 VAL 36 3HG2 VAL 36 14.852 1.625 -13.476
269 H GLY 37 H GLY 37 11.924 5.888 -13.616
270 1HA GLY 37 2HA GLY 37 12.044 8.493 -14.221
271 2HA GLY 37 1HA GLY 37 12.927 7.829 -15.605
272 H GLY 38 H GLY 38 11.633 5.506 -16.040
273 1HA GLY 38 2HA GLY 38 8.850 5.441 -16.061
274 2HA GLY 38 1HA GLY 38 9.351 6.261 -17.551
275 H VAL 39 H VAL 39 11.116 3.802 -15.879
276 HA VAL 39 HA VAL 39 10.972 2.026 -18.219
277 HB VAL 39 HB VAL 39 12.802 1.758 -15.773
278 1HG1 VAL 39 3HG1 VAL 39 12.835 0.603 -18.587
279 2HG1 VAL 39 2HG1 VAL 39 14.310 0.704 -17.645
280 3HG1 VAL 39 1HG1 VAL 39 12.967 -0.249 -17.058
281 1HG2 VAL 39 1HG2 VAL 39 13.266 3.367 -18.327
282 2HG2 VAL 39 3HG2 VAL 39 13.207 4.002 -16.690
283 3HG2 VAL 39 2HG2 VAL 39 14.536 2.971 -17.181
284 H VAL 40 H VAL 40 8.903 2.435 -16.303
285 HA VAL 40 HA VAL 40 7.885 -0.176 -15.991
286 HB VAL 40 HB VAL 40 9.547 -0.331 -14.136
287 1HG1 VAL 40 3HG1 VAL 40 9.659 2.168 -13.684
288 2HG1 VAL 40 2HG1 VAL 40 8.157 2.010 -12.783
289 3HG1 VAL 40 1HG1 VAL 40 9.598 1.162 -12.251
290 1HG2 VAL 40 2HG2 VAL 40 7.236 -1.374 -13.871
291 2HG2 VAL 40 1HG2 VAL 40 8.091 -1.071 -12.368
292 3HG2 VAL 40 3HG2 VAL 40 6.802 0.008 -12.877
No H/Q in entry = 292
Start of MODEL 10
1 1H ASP 1 3H ASP 1 -0.443 7.274 -7.165
2 2H ASP 1 2H ASP 1 -0.682 8.868 -7.696
3 3H ASP 1 1H ASP 1 0.797 8.419 -6.995
4 HA ASP 1 HA ASP 1 0.075 8.954 -5.004
5 1HB ASP 1 2HB ASP 1 -2.708 9.430 -6.195
6 2HB ASP 1 1HB ASP 1 -2.018 10.188 -4.769
7 H ALA 2 H ALA 2 0.374 6.777 -4.412
8 HA ALA 2 HA ALA 2 -0.197 4.691 -3.531
9 1HB ALA 2 2HB ALA 2 -1.191 6.393 -1.880
10 2HB ALA 2 1HB ALA 2 -2.746 6.132 -2.650
11 3HB ALA 2 3HB ALA 2 -1.937 4.805 -1.834
12 H GLU 3 H GLU 3 -0.634 4.765 -6.113
13 HA GLU 3 HA GLU 3 -1.792 3.944 -7.929
14 1HB GLU 3 2HB GLU 3 -1.106 1.946 -6.428
15 2HB GLU 3 1HB GLU 3 -2.781 1.860 -5.944
16 1HG GLU 3 2HG GLU 3 -1.786 1.750 -8.841
17 2HG GLU 3 1HG GLU 3 -2.179 0.333 -7.887
18 H PHE 4 H PHE 4 -3.205 5.753 -8.030
19 HA PHE 4 HA PHE 4 -5.906 5.422 -6.945
20 1HB PHE 4 2HB PHE 4 -6.225 7.746 -7.752
21 2HB PHE 4 1HB PHE 4 -4.801 7.638 -6.744
22 HD1 PHE 4 HD1 PHE 4 -2.515 7.597 -7.837
23 HD2 PHE 4 HD2 PHE 4 -6.063 8.373 -10.063
24 HE1 PHE 4 HE1 PHE 4 -1.167 8.544 -9.656
25 HE2 PHE 4 HE2 PHE 4 -4.713 9.318 -11.881
26 HZ PHE 4 HZ PHE 4 -2.264 9.406 -11.682
27 H ARG 5 H ARG 5 -7.694 5.124 -8.215
28 HA ARG 5 HA ARG 5 -7.198 3.972 -10.842
29 1HB ARG 5 2HB ARG 5 -9.241 3.819 -8.727
30 2HB ARG 5 1HB ARG 5 -9.965 3.826 -10.319
31 1HG ARG 5 2HG ARG 5 -9.590 1.540 -9.866
32 2HG ARG 5 1HG ARG 5 -8.294 1.978 -10.957
33 1HD ARG 5 2HD ARG 5 -7.279 0.711 -9.189
34 2HD ARG 5 1HD ARG 5 -6.841 2.372 -8.845
35 HE ARG 5 HE ARG 5 -9.024 0.836 -7.475
36 1HH1 ARG 5 2HH1 ARG 5 -6.756 3.486 -7.512
37 2HH1 ARG 5 1HH1 ARG 5 -7.115 3.919 -5.880
38 1HH2 ARG 5 1HH2 ARG 5 -9.457 1.407 -5.414
39 2HH2 ARG 5 2HH2 ARG 5 -8.640 2.748 -4.685
40 H HIS 6 H HIS 6 -6.516 6.270 -11.350
41 HA HIS 6 HA HIS 6 -6.878 8.405 -12.184
42 1HB HIS 6 2HB HIS 6 -7.572 8.025 -14.550
43 2HB HIS 6 1HB HIS 6 -6.406 6.855 -13.981
44 HD1 HIS 6 HD1 HIS 6 -10.130 7.054 -14.479
45 HD2 HIS 6 HD2 HIS 6 -7.212 4.219 -14.146
46 HE1 HIS 6 HE1 HIS 6 -11.212 4.888 -14.942
47 H ASP 7 H ASP 7 -8.852 8.309 -10.299
48 HA ASP 7 HA ASP 7 -10.746 10.173 -11.386
49 1HB ASP 7 2HB ASP 7 -11.906 8.173 -12.135
50 2HB ASP 7 1HB ASP 7 -11.658 7.376 -10.597
51 H SER 8 H SER 8 -11.725 11.392 -9.876
52 HA SER 8 HA SER 8 -10.536 11.637 -7.337
53 1HB SER 8 2HB SER 8 -11.759 13.474 -8.616
54 2HB SER 8 1HB SER 8 -13.286 12.725 -8.116
55 HG SER 8 HG SER 8 -11.624 14.263 -6.698
56 H GLY 9 H GLY 9 -10.903 10.704 -5.459
57 1HA GLY 9 2HA GLY 9 -11.975 9.568 -3.716
58 2HA GLY 9 1HA GLY 9 -13.480 9.666 -4.612
59 H TYR 10 H TYR 10 -11.086 8.282 -6.572
60 HA TYR 10 HA TYR 10 -12.198 5.603 -6.094
61 1HB TYR 10 2HB TYR 10 -11.888 6.918 -8.449
62 2HB TYR 10 1HB TYR 10 -10.286 6.216 -8.384
63 HD1 TYR 10 HD2 TYR 10 -10.984 3.566 -7.005
64 HD2 TYR 10 HD1 TYR 10 -12.894 5.652 -10.197
65 HE1 TYR 10 HE2 TYR 10 -11.888 1.464 -7.842
66 HE2 TYR 10 HE1 TYR 10 -13.792 3.538 -11.027
67 HH TYR 10 HH TYR 10 -14.068 0.860 -9.333
68 H GLU 11 H GLU 11 -11.016 6.082 -4.115
69 HA GLU 11 HA GLU 11 -8.707 4.457 -3.914
70 1HB GLU 11 2HB GLU 11 -8.302 7.252 -4.463
71 2HB GLU 11 1HB GLU 11 -7.854 7.038 -2.796
72 1HG GLU 11 2HG GLU 11 -6.785 5.580 -5.226
73 2HG GLU 11 1HG GLU 11 -5.865 6.663 -4.207
74 H VAL 12 H VAL 12 -11.411 5.883 -2.741
75 HA VAL 12 HA VAL 12 -10.892 6.179 0.023
76 HB VAL 12 HB VAL 12 -12.851 7.132 -1.023
77 1HG1 VAL 12 2HG1 VAL 12 -13.236 5.161 -2.667
78 2HG1 VAL 12 1HG1 VAL 12 -14.032 4.334 -1.342
79 3HG1 VAL 12 3HG1 VAL 12 -14.688 5.840 -1.958
80 1HG2 VAL 12 1HG2 VAL 12 -12.964 6.473 1.422
81 2HG2 VAL 12 3HG2 VAL 12 -14.512 6.695 0.628
82 3HG2 VAL 12 2HG2 VAL 12 -13.910 5.075 0.930
83 H HIS 13 H HIS 13 -11.542 4.925 1.701
84 HA HIS 13 HA HIS 13 -11.206 3.037 3.012
85 1HB HIS 13 2HB HIS 13 -13.594 3.134 2.399
86 2HB HIS 13 1HB HIS 13 -13.291 2.130 0.991
87 HD1 HIS 13 HD1 HIS 13 -14.966 0.410 2.161
88 HD2 HIS 13 HD2 HIS 13 -11.475 0.898 4.227
89 HE1 HIS 13 HE1 HIS 13 -14.837 -1.461 3.762
90 H HIS 14 H HIS 14 -9.335 3.269 0.985
91 HA HIS 14 HA HIS 14 -8.861 0.735 -0.336
92 1HB HIS 14 2HB HIS 14 -6.592 1.714 -0.803
93 2HB HIS 14 1HB HIS 14 -7.888 2.770 -1.304
94 HD1 HIS 14 HD1 HIS 14 -8.455 4.455 0.998
95 HD2 HIS 14 HD2 HIS 14 -4.624 3.178 0.403
96 HE1 HIS 14 HE1 HIS 14 -7.000 6.007 2.243
97 H GLN 15 H GLN 15 -8.572 -1.011 0.872
98 HA GLN 15 HA GLN 15 -7.671 -1.186 3.503
99 1HB GLN 15 2HB GLN 15 -8.674 -2.993 1.840
100 2HB GLN 15 1HB GLN 15 -6.993 -3.377 1.517
101 1HG GLN 15 2HG GLN 15 -6.647 -3.686 4.014
102 2HG GLN 15 1HG GLN 15 -8.364 -3.390 4.252
103 1HE2 GLN 15 2HE2 GLN 15 -9.355 -6.603 3.127
104 2HE2 GLN 15 1HE2 GLN 15 -9.880 -5.036 3.510
105 H LYS 16 H LYS 16 -5.897 -0.557 0.692
106 HA LYS 16 HA LYS 16 -3.340 -1.484 1.072
107 1HB LYS 16 2HB LYS 16 -4.434 1.093 -0.064
108 2HB LYS 16 1HB LYS 16 -2.711 0.777 -0.114
109 1HG LYS 16 2HG LYS 16 -2.917 -0.968 -1.651
110 2HG LYS 16 1HG LYS 16 -4.521 -1.411 -1.113
111 1HD LYS 16 2HD LYS 16 -4.592 -0.427 -3.373
112 2HD LYS 16 1HD LYS 16 -5.497 0.564 -2.251
113 1HE LYS 16 2HE LYS 16 -2.574 1.215 -2.738
114 2HE LYS 16 1HE LYS 16 -3.763 1.659 -3.952
115 1HZ LYS 16 3HZ LYS 16 -4.797 2.407 -1.486
116 2HZ LYS 16 2HZ LYS 16 -3.185 2.941 -1.537
117 3HZ LYS 16 1HZ LYS 16 -4.274 3.404 -2.752
118 H LEU 17 H LEU 17 -4.988 0.902 2.885
119 HA LEU 17 HA LEU 17 -3.117 2.556 4.032
120 1HB LEU 17 2HB LEU 17 -5.458 1.091 5.284
121 2HB LEU 17 1HB LEU 17 -4.563 2.300 6.180
122 HG LEU 17 HG LEU 17 -5.586 3.001 3.411
123 1HD1 LEU 17 3HD1 LEU 17 -7.518 1.989 4.720
124 2HD1 LEU 17 2HD1 LEU 17 -7.293 3.253 5.920
125 3HD1 LEU 17 1HD1 LEU 17 -7.750 3.669 4.275
126 1HD2 LEU 17 2HD2 LEU 17 -5.037 4.555 5.974
127 2HD2 LEU 17 1HD2 LEU 17 -4.155 4.653 4.460
128 3HD2 LEU 17 3HD2 LEU 17 -5.791 5.272 4.561
129 H VAL 18 H VAL 18 -3.493 -0.881 4.728
130 HA VAL 18 HA VAL 18 -1.847 -0.978 7.021
131 HB VAL 18 HB VAL 18 -1.770 -3.446 6.481
132 1HG1 VAL 18 1HG1 VAL 18 -3.770 -2.376 7.549
133 2HG1 VAL 18 3HG1 VAL 18 -4.490 -2.199 5.955
134 3HG1 VAL 18 2HG1 VAL 18 -4.180 -3.802 6.602
135 1HG2 VAL 18 2HG2 VAL 18 -2.773 -2.495 3.787
136 2HG2 VAL 18 1HG2 VAL 18 -1.611 -3.753 4.170
137 3HG2 VAL 18 3HG2 VAL 18 -3.321 -4.041 4.397
138 H PHE 19 H PHE 19 -1.060 -1.860 3.657
139 HA PHE 19 HA PHE 19 1.712 -2.179 3.957
140 1HB PHE 19 2HB PHE 19 0.281 -1.146 1.468
141 2HB PHE 19 1HB PHE 19 1.775 -2.060 1.486
142 HD1 PHE 19 HD2 PHE 19 1.443 -4.345 3.100
143 HD2 PHE 19 HD1 PHE 19 -1.540 -2.396 0.769
144 HE1 PHE 19 HE2 PHE 19 0.155 -6.428 3.003
145 HE2 PHE 19 HE1 PHE 19 -2.832 -4.479 0.677
146 HZ PHE 19 HZ PHE 19 -1.985 -6.501 1.794
147 H PHE 20 H PHE 20 -0.213 0.602 3.309
148 HA PHE 20 HA PHE 20 1.476 2.588 2.537
149 1HB PHE 20 2HB PHE 20 -1.085 2.423 3.615
150 2HB PHE 20 1HB PHE 20 -0.288 3.503 4.738
151 HD1 PHE 20 HD1 PHE 20 1.333 5.309 3.320
152 HD2 PHE 20 HD2 PHE 20 -2.254 3.453 1.944
153 HE1 PHE 20 HE1 PHE 20 0.991 7.140 1.726
154 HE2 PHE 20 HE2 PHE 20 -2.594 5.288 0.354
155 HZ PHE 20 HZ PHE 20 -0.970 7.136 0.242
156 H ALA 21 H ALA 21 1.505 1.101 5.650
157 HA ALA 21 HA ALA 21 3.710 2.879 6.487
158 1HB ALA 21 1HB ALA 21 1.567 1.568 8.233
159 2HB ALA 21 3HB ALA 21 2.905 2.529 8.851
160 3HB ALA 21 2HB ALA 21 1.659 3.284 7.869
161 H GLU 22 H GLU 22 2.329 -0.367 6.709
162 HA GLU 22 HA GLU 22 4.580 -1.528 7.993
163 1HB GLU 22 2HB GLU 22 2.479 -2.730 6.239
164 2HB GLU 22 1HB GLU 22 3.542 -3.672 7.257
165 1HG GLU 22 2HG GLU 22 2.501 -2.995 9.167
166 2HG GLU 22 1HG GLU 22 1.967 -1.451 8.555
167 H ASP 23 H ASP 23 3.581 -1.518 4.600
168 HA ASP 23 HA ASP 23 5.836 -2.928 3.654
169 1HB ASP 23 2HB ASP 23 3.544 -2.022 2.501
170 2HB ASP 23 1HB ASP 23 4.704 -0.882 1.848
171 H VAL 24 H VAL 24 5.442 0.521 4.269
172 HA VAL 24 HA VAL 24 7.684 1.431 2.841
173 HB VAL 24 HB VAL 24 7.636 3.352 4.136
174 1HG1 VAL 24 2HG1 VAL 24 5.475 2.858 2.963
175 2HG1 VAL 24 1HG1 VAL 24 4.829 2.295 4.495
176 3HG1 VAL 24 3HG1 VAL 24 5.297 3.979 4.304
177 1HG2 VAL 24 1HG2 VAL 24 7.070 1.774 6.548
178 2HG2 VAL 24 3HG2 VAL 24 7.932 3.275 6.336
179 3HG2 VAL 24 2HG2 VAL 24 6.187 3.277 6.448
180 H GLY 25 H GLY 25 7.367 0.052 6.005
181 1HA GLY 25 2HA GLY 25 10.135 0.134 6.761
182 2HA GLY 25 1HA GLY 25 8.900 -0.882 7.514
183 H SER 26 H SER 26 8.006 -2.395 5.500
184 HA SER 26 HA SER 26 10.128 -4.300 5.080
185 1HB SER 26 2HB SER 26 7.654 -4.813 5.690
186 2HB SER 26 1HB SER 26 7.297 -4.531 3.979
187 HG SER 26 HG SER 26 8.145 -6.382 3.579
188 H ASN 27 H ASN 27 10.200 -1.693 3.509
189 HA ASN 27 HA ASN 27 9.652 -2.327 0.779
190 1HB ASN 27 2HB ASN 27 11.156 -0.219 2.195
191 2HB ASN 27 1HB ASN 27 11.386 -0.318 0.472
192 1HD2 ASN 27 2HD2 ASN 27 8.679 2.066 1.093
193 2HD2 ASN 27 1HD2 ASN 27 10.303 1.946 1.561
194 H LYS 28 H LYS 28 11.343 -2.234 -0.860
195 HA LYS 28 HA LYS 28 14.032 -2.937 -0.537
196 1HB LYS 28 2HB LYS 28 13.825 -5.428 -1.280
197 2HB LYS 28 1HB LYS 28 13.348 -5.105 0.372
198 1HG LYS 28 2HG LYS 28 10.934 -4.946 -0.421
199 2HG LYS 28 1HG LYS 28 11.477 -5.415 -2.020
200 1HD LYS 28 2HD LYS 28 12.077 -7.598 -1.322
201 2HD LYS 28 1HD LYS 28 12.190 -7.140 0.368
202 1HE LYS 28 2HE LYS 28 9.556 -7.099 -1.160
203 2HE LYS 28 1HE LYS 28 10.110 -8.489 -0.241
204 1HZ LYS 28 2HZ LYS 28 10.378 -6.227 1.367
205 2HZ LYS 28 1HZ LYS 28 8.822 -6.202 0.694
206 3HZ LYS 28 3HZ LYS 28 9.343 -7.556 1.577
207 H GLY 29 H GLY 29 12.330 -1.356 -2.073
208 1HA GLY 29 2HA GLY 29 13.508 -1.308 -4.581
209 2HA GLY 29 1HA GLY 29 12.042 -2.286 -4.762
210 H ALA 30 H ALA 30 12.569 0.397 -2.597
211 HA ALA 30 HA ALA 30 10.853 2.199 -4.146
212 1HB ALA 30 2HB ALA 30 10.321 1.310 -1.274
213 2HB ALA 30 1HB ALA 30 9.497 2.665 -2.029
214 3HB ALA 30 3HB ALA 30 9.263 1.037 -2.647
215 H ILE 31 H ILE 31 12.434 1.827 -1.003
216 HA ILE 31 HA ILE 31 13.194 4.536 -0.670
217 HB ILE 31 HB ILE 31 14.483 2.030 0.372
218 1HG1 ILE 31 2HG1 ILE 31 12.543 3.823 1.891
219 2HG1 ILE 31 1HG1 ILE 31 11.954 2.523 0.880
220 1HG2 ILE 31 2HG2 ILE 31 14.717 4.920 1.335
221 2HG2 ILE 31 1HG2 ILE 31 15.338 3.543 2.229
222 3HG2 ILE 31 3HG2 ILE 31 16.011 3.942 0.662
223 1HD1 ILE 31 3HD1 ILE 31 13.355 0.895 2.172
224 2HD1 ILE 31 2HD1 ILE 31 13.833 2.202 3.248
225 3HD1 ILE 31 1HD1 ILE 31 12.153 1.706 3.164
226 H ILE 32 H ILE 32 15.046 1.720 -1.666
227 HA ILE 32 HA ILE 32 17.358 3.109 -2.563
228 HB ILE 32 HB ILE 32 17.322 0.688 -1.950
229 1HG1 ILE 32 2HG1 ILE 32 18.114 0.836 -4.886
230 2HG1 ILE 32 1HG1 ILE 32 19.006 1.731 -3.671
231 1HG2 ILE 32 2HG2 ILE 32 15.043 0.222 -3.031
232 2HG2 ILE 32 1HG2 ILE 32 15.867 0.162 -4.579
233 3HG2 ILE 32 3HG2 ILE 32 16.261 -1.001 -3.326
234 1HD1 ILE 32 3HD1 ILE 32 19.368 -0.420 -2.405
235 2HD1 ILE 32 2HD1 ILE 32 18.591 -1.284 -3.724
236 3HD1 ILE 32 1HD1 ILE 32 20.095 -0.424 -4.003
237 H GLY 33 H GLY 33 14.335 2.260 -4.002
238 1HA GLY 33 2HA GLY 33 15.096 2.953 -6.754
239 2HA GLY 33 1HA GLY 33 13.499 2.462 -6.198
240 H LEU 34 H LEU 34 15.003 4.927 -4.368
241 HA LEU 34 HA LEU 34 13.990 7.165 -5.888
242 1HB LEU 34 2HB LEU 34 11.960 6.177 -4.619
243 2HB LEU 34 1HB LEU 34 12.786 6.580 -3.132
244 HG LEU 34 HG LEU 34 12.925 9.024 -4.139
245 1HD1 LEU 34 1HD1 LEU 34 10.676 7.813 -5.816
246 2HD1 LEU 34 3HD1 LEU 34 11.040 9.527 -5.702
247 3HD1 LEU 34 2HD1 LEU 34 12.197 8.434 -6.437
248 1HD2 LEU 34 2HD2 LEU 34 10.263 7.822 -3.263
249 2HD2 LEU 34 1HD2 LEU 34 11.523 8.419 -2.193
250 3HD2 LEU 34 3HD2 LEU 34 10.661 9.535 -3.238
251 1HN SME 35 HN MEO 35 16.194 7.600 -5.788
252 HA SME 35 HA MEO 35 17.693 7.930 -3.394
253 1HB SME 35 1HB MEO 35 18.098 9.156 -6.156
254 2HB SME 35 2HB MEO 35 18.690 7.592 -5.646
255 1HG SME 35 1HG MEO 35 20.599 8.612 -4.956
256 2HG SME 35 2HG MEO 35 19.684 9.357 -3.663
257 1HE SME 35 1HE MEO 35 20.889 11.198 -7.670
258 2HE SME 35 2HE MEO 35 19.918 9.730 -7.585
259 3HE SME 35 3HE MEO 35 21.553 9.746 -6.924
260 H VAL 36 H VAL 36 18.069 9.693 -2.141
261 HA VAL 36 HA VAL 36 16.102 11.750 -1.991
262 HB VAL 36 HB VAL 36 18.751 11.445 -0.634
263 1HG1 VAL 36 2HG1 VAL 36 16.445 13.364 -0.096
264 2HG1 VAL 36 1HG1 VAL 36 17.637 12.985 1.136
265 3HG1 VAL 36 3HG1 VAL 36 18.135 13.770 -0.349
266 1HG2 VAL 36 3HG2 VAL 36 15.928 10.721 0.259
267 2HG2 VAL 36 2HG2 VAL 36 17.206 9.584 -0.146
268 3HG2 VAL 36 1HG2 VAL 36 17.354 10.596 1.279
269 H GLY 37 H GLY 37 19.568 11.889 -2.684
270 1HA GLY 37 2HA GLY 37 20.819 13.326 -4.053
271 2HA GLY 37 1HA GLY 37 19.304 13.879 -4.768
272 H GLY 38 H GLY 38 20.135 13.955 -1.366
273 1HA GLY 38 2HA GLY 38 20.974 16.677 -1.226
274 2HA GLY 38 1HA GLY 38 19.261 16.532 -0.801
275 H VAL 39 H VAL 39 22.170 14.614 -0.235
276 HA VAL 39 HA VAL 39 21.669 14.650 2.679
277 HB VAL 39 HB VAL 39 22.883 12.320 1.111
278 1HG1 VAL 39 1HG1 VAL 39 21.596 12.482 3.883
279 2HG1 VAL 39 3HG1 VAL 39 22.233 11.017 3.155
280 3HG1 VAL 39 2HG1 VAL 39 23.318 12.325 3.578
281 1HG2 VAL 39 1HG2 VAL 39 19.960 12.746 1.862
282 2HG2 VAL 39 3HG2 VAL 39 20.616 12.559 0.242
283 3HG2 VAL 39 2HG2 VAL 39 20.618 11.201 1.349
284 H VAL 40 H VAL 40 23.090 16.530 1.460
285 HA VAL 40 HA VAL 40 25.074 17.700 1.443
286 HB VAL 40 HB VAL 40 25.829 15.658 3.604
287 1HG1 VAL 40 2HG1 VAL 40 26.937 18.422 2.914
288 2HG1 VAL 40 1HG1 VAL 40 27.283 17.594 4.424
289 3HG1 VAL 40 3HG1 VAL 40 27.824 16.908 2.906
290 1HG2 VAL 40 1HG2 VAL 40 24.409 18.350 3.784
291 2HG2 VAL 40 3HG2 VAL 40 23.723 16.781 4.173
292 3HG2 VAL 40 2HG2 VAL 40 25.001 17.449 5.169
No H/Q in entry = 292