Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5403 | 1hdl RC | 4910 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -24.157 18.343 24.948
2 H2 LYS 1 H2 LYS 1 -25.773 17.978 24.584
3 H3 LYS 1 H3 LYS 1 -25.378 18.685 26.078
4 HA LYS 1 HA LYS 1 -24.261 16.714 26.813
5 1HB LYS 1 1HB LYS 1 -26.955 16.298 25.479
6 2HB LYS 1 2HB LYS 1 -26.274 15.201 26.680
7 1HG LYS 1 1HG LYS 1 -26.131 17.104 28.285
8 2HG LYS 1 2HG LYS 1 -26.911 18.138 27.089
9 1HD LYS 1 1HD LYS 1 -28.875 16.626 27.081
10 2HD LYS 1 2HD LYS 1 -28.096 15.624 28.306
11 1HE LYS 1 1HE LYS 1 -29.667 17.176 29.393
12 2HE LYS 1 2HE LYS 1 -28.008 17.641 29.814
13 1HZ LYS 1 1HZ LYS 1 -29.138 18.712 27.335
14 2HZ LYS 1 2HZ LYS 1 -29.718 19.368 28.790
15 3HZ LYS 1 3HZ LYS 1 -28.061 19.436 28.432
16 H ASN 2 H ASN 2 -25.724 16.120 23.588
17 HA ASN 2 HA ASN 2 -24.098 13.732 23.149
18 1HB ASN 2 1HB ASN 2 -25.837 15.419 21.317
19 2HB ASN 2 2HB ASN 2 -25.244 13.799 20.952
20 2HD2 ASN 2 2HD2 ASN 2 -25.770 12.201 22.976
21 1HD2 ASN 2 1HD2 ASN 2 -27.373 12.294 23.527
22 H GLU 3 H GLU 3 -22.366 13.554 21.624
23 HA GLU 3 HA GLU 3 -20.642 15.872 21.396
24 1HB GLU 3 1HB GLU 3 -20.622 13.110 20.136
25 2HB GLU 3 2HB GLU 3 -19.269 14.239 20.076
26 1HG GLU 3 1HG GLU 3 -19.238 14.278 22.570
27 2HG GLU 3 2HG GLU 3 -20.521 13.068 22.579
28 H ASP 4 H ASP 4 -23.371 14.956 19.653
29 HA ASP 4 HA ASP 4 -22.495 15.718 16.973
30 1HB ASP 4 1HB ASP 4 -25.034 14.995 18.397
31 2HB ASP 4 2HB ASP 4 -25.149 15.762 16.813
32 H GLN 5 H GLN 5 -22.905 17.530 19.708
33 HA GLN 5 HA GLN 5 -23.850 19.919 18.155
34 1HB GLN 5 1HB GLN 5 -24.126 19.332 21.120
35 2HB GLN 5 2HB GLN 5 -24.868 20.667 20.239
36 1HG GLN 5 1HG GLN 5 -25.398 17.862 19.321
37 2HG GLN 5 2HG GLN 5 -26.250 18.465 20.742
38 2HE2 GLN 5 2HE2 GLN 5 -26.947 21.011 20.212
39 1HE2 GLN 5 1HE2 GLN 5 -27.818 21.154 18.762
40 H GLU 6 H GLU 6 -21.570 18.603 20.487
41 HA GLU 6 HA GLU 6 -19.868 21.038 20.120
42 1HB GLU 6 1HB GLU 6 -20.616 19.587 22.677
43 2HB GLU 6 2HB GLU 6 -19.346 20.806 22.583
44 1HG GLU 6 1HG GLU 6 -21.138 22.343 21.555
45 2HG GLU 6 2HG GLU 6 -22.312 21.156 22.124
46 H MET 7 H MET 7 -19.377 18.842 18.594
47 HA MET 7 HA MET 7 -17.984 16.627 19.438
48 1HB MET 7 1HB MET 7 -17.523 18.588 17.191
49 2HB MET 7 2HB MET 7 -16.538 17.133 17.338
50 1HG MET 7 1HG MET 7 -19.569 17.175 17.205
51 2HG MET 7 2HG MET 7 -18.504 16.779 15.857
52 1HE MET 7 1HE MET 7 -17.070 15.260 15.610
53 2HE MET 7 2HE MET 7 -16.502 14.012 16.716
54 3HE MET 7 3HE MET 7 -17.870 13.690 15.642
55 H CYS 8 H CYS 8 -16.692 19.947 19.290
56 HA CYS 8 HA CYS 8 -14.092 19.049 20.389
57 1HB CYS 8 1HB CYS 8 -15.264 21.663 19.410
58 2HB CYS 8 2HB CYS 8 -13.648 21.557 20.108
59 H HIS 9 H HIS 9 -14.331 18.575 22.581
60 HA HIS 9 HA HIS 9 -15.834 20.494 24.302
61 1HB HIS 9 1HB HIS 9 -14.703 17.714 24.761
62 2HB HIS 9 2HB HIS 9 -15.653 18.620 25.939
63 HD1 HIS 9 HD1 HIS 9 -18.127 19.383 24.996
64 HD2 HIS 9 HD2 HIS 9 -16.257 16.216 23.033
65 HE1 HIS 9 HE1 HIS 9 -19.936 18.176 23.699
66 H GLU 10 H GLU 10 -12.691 18.772 24.202
67 HA GLU 10 HA GLU 10 -11.590 20.539 26.294
68 1HB GLU 10 1HB GLU 10 -10.750 18.106 24.743
69 2HB GLU 10 2HB GLU 10 -9.530 19.037 25.611
70 1HG GLU 10 1HG GLU 10 -10.984 18.853 27.670
71 2HG GLU 10 2HG GLU 10 -12.009 17.734 26.770
72 H PHE 11 H PHE 11 -11.214 19.979 22.800
73 HA PHE 11 HA PHE 11 -8.992 21.787 22.431
74 1HB PHE 11 1HB PHE 11 -11.126 20.574 20.684
75 2HB PHE 11 2HB PHE 11 -9.910 21.658 20.020
76 HD1 PHE 11 HD1 PHE 11 -7.526 21.049 20.029
77 HD2 PHE 11 HD2 PHE 11 -10.533 18.342 21.474
78 HE1 PHE 11 HE1 PHE 11 -5.896 19.183 19.927
79 HE2 PHE 11 HE2 PHE 11 -8.904 16.478 21.371
80 HZ PHE 11 HZ PHE 11 -6.586 16.900 20.600
81 H GLN 12 H GLN 12 -12.471 22.227 22.662
82 HA GLN 12 HA GLN 12 -12.939 24.632 21.339
83 1HB GLN 12 1HB GLN 12 -14.607 23.332 22.608
84 2HB GLN 12 2HB GLN 12 -13.817 23.777 24.120
85 1HG GLN 12 1HG GLN 12 -14.195 26.224 23.367
86 2HG GLN 12 2HG GLN 12 -15.335 25.547 22.204
87 2HE2 GLN 12 2HE2 GLN 12 -17.401 25.853 23.068
88 1HE2 GLN 12 1HE2 GLN 12 -17.841 25.513 24.672
89 H ALA 13 H ALA 13 -11.502 24.207 24.584
90 HA ALA 13 HA ALA 13 -11.116 26.954 25.208
91 1HB ALA 13 1HB ALA 13 -8.963 25.470 26.261
92 2HB ALA 13 2HB ALA 13 -10.504 25.796 27.055
93 3HB ALA 13 3HB ALA 13 -10.292 24.320 26.113
94 H PHE 14 H PHE 14 -9.534 24.905 22.892
95 HA PHE 14 HA PHE 14 -7.103 26.567 22.733
96 1HB PHE 14 1HB PHE 14 -8.181 24.281 21.054
97 2HB PHE 14 2HB PHE 14 -6.548 24.931 20.961
98 HD1 PHE 14 HD1 PHE 14 -6.912 25.409 24.225
99 HD2 PHE 14 HD2 PHE 14 -6.914 22.084 21.504
100 HE1 PHE 14 HE1 PHE 14 -6.208 23.902 26.064
101 HE2 PHE 14 HE2 PHE 14 -6.211 20.579 23.342
102 HZ PHE 14 HZ PHE 14 -5.857 21.487 25.623
103 H MET 15 H MET 15 -10.123 27.314 21.889
104 HA MET 15 HA MET 15 -9.553 28.181 19.106
105 1HB MET 15 1HB MET 15 -11.932 28.434 18.983
106 2HB MET 15 2HB MET 15 -11.648 26.948 19.879
107 1HG MET 15 1HG MET 15 -11.735 28.510 21.980
108 2HG MET 15 2HG MET 15 -12.562 29.625 20.896
109 1HE MET 15 1HE MET 15 -14.101 29.701 22.519
110 2HE MET 15 2HE MET 15 -15.531 29.362 21.535
111 3HE MET 15 3HE MET 15 -15.270 28.492 23.045
112 H LYS 16 H LYS 16 -8.685 30.201 18.884
113 HA LYS 16 HA LYS 16 -9.143 32.236 21.010
114 1HB LYS 16 1HB LYS 16 -6.845 31.779 20.347
115 2HB LYS 16 2HB LYS 16 -7.250 32.017 18.648
116 1HG LYS 16 1HG LYS 16 -6.150 34.019 19.628
117 2HG LYS 16 2HG LYS 16 -7.790 34.371 19.084
118 1HD LYS 16 1HD LYS 16 -8.638 34.192 21.353
119 2HD LYS 16 2HD LYS 16 -7.065 33.652 21.940
120 1HE LYS 16 1HE LYS 16 -7.278 36.292 20.502
121 2HE LYS 16 2HE LYS 16 -7.709 36.183 22.220
122 1HZ LYS 16 1HZ LYS 16 -5.241 34.909 21.223
123 2HZ LYS 16 2HZ LYS 16 -5.244 36.572 21.559
124 3HZ LYS 16 3HZ LYS 16 -5.603 35.457 22.790
125 H ASN 17 H ASN 17 -11.368 32.712 20.343
126 HA ASN 17 HA ASN 17 -12.966 33.996 19.183
127 1HB ASN 17 1HB ASN 17 -10.426 35.200 18.038
128 2HB ASN 17 2HB ASN 17 -12.019 35.956 18.027
129 2HD2 ASN 17 2HD2 ASN 17 -9.212 36.301 19.590
130 1HD2 ASN 17 1HD2 ASN 17 -9.749 36.671 21.156
131 H GLY 18 H GLY 18 -12.650 31.516 18.072
132 1HA GLY 18 1HA GLY 18 -13.088 32.096 15.205
133 2HA GLY 18 2HA GLY 18 -13.503 30.594 16.028
134 H LYS 19 H LYS 19 -10.382 31.587 16.874
135 HA LYS 19 HA LYS 19 -9.105 30.143 14.601
136 1HB LYS 19 1HB LYS 19 -8.383 32.434 15.413
137 2HB LYS 19 2HB LYS 19 -7.857 31.661 16.909
138 1HG LYS 19 1HG LYS 19 -6.916 30.491 14.322
139 2HG LYS 19 2HG LYS 19 -6.178 31.998 14.864
140 1HD LYS 19 1HD LYS 19 -6.481 29.794 16.863
141 2HD LYS 19 2HD LYS 19 -5.221 29.629 15.640
142 1HE LYS 19 1HE LYS 19 -4.767 32.192 16.368
143 2HE LYS 19 2HE LYS 19 -5.429 31.572 17.892
144 1HZ LYS 19 1HZ LYS 19 -3.556 29.851 16.458
145 2HZ LYS 19 2HZ LYS 19 -2.893 31.227 17.195
146 3HZ LYS 19 3HZ LYS 19 -3.744 30.091 18.129
147 H LEU 20 H LEU 20 -8.977 27.950 14.962
148 HA LEU 20 HA LEU 20 -8.618 26.939 17.735
149 1HB LEU 20 1HB LEU 20 -10.263 26.134 15.841
150 2HB LEU 20 2HB LEU 20 -8.847 25.267 15.244
151 HG LEU 20 HG LEU 20 -10.167 24.999 17.957
152 1HD1 LEU 20 1HD1 LEU 20 -10.626 23.689 15.575
153 2HD1 LEU 20 2HD1 LEU 20 -9.461 22.628 16.365
154 3HD1 LEU 20 3HD1 LEU 20 -10.977 23.028 17.172
155 1HD2 LEU 20 1HD2 LEU 20 -7.462 24.079 16.972
156 2HD2 LEU 20 2HD2 LEU 20 -7.840 24.966 18.449
157 3HD2 LEU 20 3HD2 LEU 20 -8.296 23.268 18.298
158 H PHE 21 H PHE 21 -6.432 27.128 18.273
159 HA PHE 21 HA PHE 21 -4.368 26.404 16.272
160 1HB PHE 21 1HB PHE 21 -2.877 27.044 18.309
161 2HB PHE 21 2HB PHE 21 -3.801 28.320 17.523
162 HD1 PHE 21 HD1 PHE 21 -3.673 26.067 20.472
163 HD2 PHE 21 HD2 PHE 21 -5.593 29.449 18.647
164 HE1 PHE 21 HE1 PHE 21 -4.800 26.586 22.618
165 HE2 PHE 21 HE2 PHE 21 -6.717 29.969 20.795
166 HZ PHE 21 HZ PHE 21 -6.321 28.538 22.780
167 H CYS 22 H CYS 22 -5.513 24.134 16.446
168 HA CYS 22 HA CYS 22 -5.286 22.397 18.625
169 1HB CYS 22 1HB CYS 22 -6.056 22.251 16.023
170 2HB CYS 22 2HB CYS 22 -4.565 21.311 15.963
171 HA PRO 23 HA PRO 23 -0.813 21.252 17.120
172 1HB PRO 23 1HB PRO 23 0.266 23.597 15.848
173 2HB PRO 23 2HB PRO 23 0.009 21.997 15.148
174 1HG PRO 23 1HG PRO 23 -1.442 24.391 14.586
175 2HG PRO 23 2HG PRO 23 -1.757 22.772 13.958
176 1HD PRO 23 1HD PRO 23 -3.273 24.273 15.930
177 2HD PRO 23 2HD PRO 23 -3.671 22.705 15.194
178 H GLN 24 H GLN 24 -0.891 21.664 19.486
179 HA GLN 24 HA GLN 24 0.581 24.159 20.274
180 1HB GLN 24 1HB GLN 24 -1.675 24.227 21.095
181 2HB GLN 24 2HB GLN 24 -1.600 22.545 21.618
182 1HG GLN 24 1HG GLN 24 0.181 23.174 23.253
183 2HG GLN 24 2HG GLN 24 -0.017 24.859 22.776
184 2HE2 GLN 24 2HE2 GLN 24 -1.893 22.084 24.094
185 1HE2 GLN 24 1HE2 GLN 24 -2.987 23.044 24.968
186 H ASP 25 H ASP 25 -0.199 21.351 22.263
187 HA ASP 25 HA ASP 25 2.725 20.682 22.385
188 1HB ASP 25 1HB ASP 25 1.424 21.954 24.322
189 2HB ASP 25 2HB ASP 25 0.867 20.326 24.712
190 H LYS 26 H LYS 26 1.806 19.105 20.632
191 HA LYS 26 HA LYS 26 0.016 16.987 21.348
192 1HB LYS 26 1HB LYS 26 2.038 17.601 19.245
193 2HB LYS 26 2HB LYS 26 1.519 15.922 19.390
194 1HG LYS 26 1HG LYS 26 -0.841 16.642 19.212
195 2HG LYS 26 2HG LYS 26 -0.315 18.317 19.051
196 1HD LYS 26 1HD LYS 26 1.094 17.495 17.055
197 2HD LYS 26 2HD LYS 26 0.122 16.025 17.131
198 1HE LYS 26 1HE LYS 26 -1.944 17.404 16.906
199 2HE LYS 26 2HE LYS 26 -0.932 18.854 16.754
200 1HZ LYS 26 1HZ LYS 26 -0.525 16.450 15.066
201 2HZ LYS 26 2HZ LYS 26 -1.579 17.694 14.603
202 3HZ LYS 26 3HZ LYS 26 0.074 18.020 14.817
203 H LYS 27 H LYS 27 3.142 17.631 22.501
204 HA LYS 27 HA LYS 27 4.566 15.279 22.668
205 1HB LYS 27 1HB LYS 27 3.908 17.444 24.659
206 2HB LYS 27 2HB LYS 27 4.984 16.122 25.107
207 1HG LYS 27 1HG LYS 27 6.477 16.652 23.254
208 2HG LYS 27 2HG LYS 27 5.366 17.894 22.676
209 1HD LYS 27 1HD LYS 27 5.642 19.023 24.941
210 2HD LYS 27 2HD LYS 27 6.959 17.892 25.251
211 1HE LYS 27 1HE LYS 27 8.163 18.708 23.269
212 2HE LYS 27 2HE LYS 27 6.820 19.802 22.887
213 1HZ LYS 27 1HZ LYS 27 8.017 19.823 25.581
214 2HZ LYS 27 2HZ LYS 27 8.791 20.660 24.325
215 3HZ LYS 27 3HZ LYS 27 7.201 21.068 24.763
216 H PHE 28 H PHE 28 1.456 15.952 24.159
217 HA PHE 28 HA PHE 28 1.312 13.966 26.150
218 1HB PHE 28 1HB PHE 28 -0.846 14.776 24.176
219 2HB PHE 28 2HB PHE 28 -1.088 14.189 25.820
220 HD1 PHE 28 HD1 PHE 28 0.756 15.596 27.473
221 HD2 PHE 28 HD2 PHE 28 -1.365 17.046 24.031
222 HE1 PHE 28 HE1 PHE 28 0.948 17.916 28.329
223 HE2 PHE 28 HE2 PHE 28 -1.176 19.363 24.888
224 HZ PHE 28 HZ PHE 28 -0.019 19.800 27.036
225 H PHE 29 H PHE 29 1.500 13.620 22.705
226 HA PHE 29 HA PHE 29 0.203 11.235 22.102
227 1HB PHE 29 1HB PHE 29 1.573 12.716 20.603
228 2HB PHE 29 2HB PHE 29 3.028 12.020 21.314
229 HD1 PHE 29 HD1 PHE 29 3.279 9.446 21.228
230 HD2 PHE 29 HD2 PHE 29 0.504 11.649 18.798
231 HE1 PHE 29 HE1 PHE 29 3.131 7.531 19.660
232 HE2 PHE 29 HE2 PHE 29 0.357 9.733 17.230
233 HZ PHE 29 HZ PHE 29 1.671 7.674 17.660
234 H GLN 30 H GLN 30 2.975 11.705 24.173
235 HA GLN 30 HA GLN 30 3.982 9.007 24.168
236 1HB GLN 30 1HB GLN 30 4.105 11.348 26.086
237 2HB GLN 30 2HB GLN 30 5.018 9.859 26.338
238 1HG GLN 30 1HG GLN 30 5.413 10.652 23.632
239 2HG GLN 30 2HG GLN 30 5.657 12.080 24.637
240 2HE2 GLN 30 2HE2 GLN 30 7.436 9.727 23.266
241 1HE2 GLN 30 1HE2 GLN 30 8.628 9.497 24.451
242 H SER 31 H SER 31 1.041 10.221 25.288
243 HA SER 31 HA SER 31 0.758 7.917 27.190
244 1HB SER 31 1HB SER 31 -0.275 10.764 27.404
245 2HB SER 31 2HB SER 31 -0.684 9.468 28.528
246 HG SER 31 HG SER 31 1.422 9.343 29.157
247 H LEU 32 H LEU 32 -1.584 7.269 27.447
248 HA LEU 32 HA LEU 32 -2.870 6.878 24.917
249 1HB LEU 32 1HB LEU 32 -2.974 5.637 27.236
250 2HB LEU 32 2HB LEU 32 -4.296 6.760 27.557
251 HG LEU 32 HG LEU 32 -4.186 5.117 25.025
252 1HD1 LEU 32 1HD1 LEU 32 -5.029 4.343 27.788
253 2HD1 LEU 32 2HD1 LEU 32 -6.015 3.786 26.436
254 3HD1 LEU 32 3HD1 LEU 32 -4.307 3.354 26.519
255 1HD2 LEU 32 1HD2 LEU 32 -6.092 6.941 26.386
256 2HD2 LEU 32 2HD2 LEU 32 -5.860 6.637 24.664
257 3HD2 LEU 32 3HD2 LEU 32 -6.796 5.506 25.641
258 H ASP 33 H ASP 33 -3.763 8.964 27.678
259 HA ASP 33 HA ASP 33 -6.042 10.194 26.542
260 1HB ASP 33 1HB ASP 33 -3.889 11.271 28.397
261 2HB ASP 33 2HB ASP 33 -5.467 12.023 28.162
262 H GLY 34 H GLY 34 -2.596 10.986 26.235
263 1HA GLY 34 1HA GLY 34 -1.494 12.468 24.774
264 2HA GLY 34 2HA GLY 34 -3.011 13.357 24.635
265 H ILE 35 H ILE 35 -2.164 9.988 23.853
266 HA ILE 35 HA ILE 35 -2.087 10.212 21.036
267 HB ILE 35 HB ILE 35 -2.749 8.076 23.046
268 1HG1 ILE 35 1HG1 ILE 35 -0.402 8.777 22.534
269 2HG1 ILE 35 2HG1 ILE 35 -0.709 7.081 22.157
270 1HG2 ILE 35 1HG2 ILE 35 -4.258 7.658 21.113
271 2HG2 ILE 35 2HG2 ILE 35 -2.862 7.695 20.036
272 3HG2 ILE 35 3HG2 ILE 35 -3.006 6.423 21.248
273 1HD1 ILE 35 1HD1 ILE 35 -1.318 8.911 19.936
274 2HD1 ILE 35 2HD1 ILE 35 0.381 8.913 20.407
275 3HD1 ILE 35 3HD1 ILE 35 -0.399 7.406 19.931
276 H MET 36 H MET 36 -4.822 9.914 23.261
277 HA MET 36 HA MET 36 -6.832 9.588 21.182
278 1HB MET 36 1HB MET 36 -6.684 10.062 24.122
279 2HB MET 36 2HB MET 36 -8.195 10.481 23.315
280 1HG MET 36 1HG MET 36 -6.800 7.791 23.140
281 2HG MET 36 2HG MET 36 -8.224 8.137 24.121
282 1HE MET 36 1HE MET 36 -10.215 8.320 23.670
283 2HE MET 36 2HE MET 36 -10.664 9.418 22.357
284 3HE MET 36 3HE MET 36 -11.073 7.708 22.258
285 H PHE 37 H PHE 37 -6.342 12.329 23.460
286 HA PHE 37 HA PHE 37 -7.908 14.228 22.162
287 1HB PHE 37 1HB PHE 37 -7.053 15.369 23.919
288 2HB PHE 37 2HB PHE 37 -5.846 14.107 24.148
289 HD1 PHE 37 HD1 PHE 37 -3.613 14.298 23.098
290 HD2 PHE 37 HD2 PHE 37 -6.516 17.443 22.811
291 HE1 PHE 37 HE1 PHE 37 -1.841 15.860 22.353
292 HE2 PHE 37 HE2 PHE 37 -4.744 19.010 22.063
293 HZ PHE 37 HZ PHE 37 -2.408 18.210 21.832
294 H ILE 38 H ILE 38 -4.437 13.560 21.506
295 HA ILE 38 HA ILE 38 -4.022 15.347 19.380
296 HB ILE 38 HB ILE 38 -3.040 12.542 19.957
297 1HG1 ILE 38 1HG1 ILE 38 -1.956 15.338 20.363
298 2HG1 ILE 38 2HG1 ILE 38 -2.296 14.121 21.591
299 1HG2 ILE 38 1HG2 ILE 38 -2.899 13.090 17.505
300 2HG2 ILE 38 2HG2 ILE 38 -1.911 14.489 17.925
301 3HG2 ILE 38 3HG2 ILE 38 -1.326 12.861 18.269
302 1HD1 ILE 38 1HD1 ILE 38 -0.520 12.871 19.817
303 2HD1 ILE 38 2HD1 ILE 38 0.112 14.506 20.015
304 3HD1 ILE 38 3HD1 ILE 38 -0.142 13.481 21.428
305 H ASN 39 H ASN 39 -5.532 12.127 19.351
306 HA ASN 39 HA ASN 39 -5.884 11.964 16.492
307 1HB ASN 39 1HB ASN 39 -7.279 10.712 18.877
308 2HB ASN 39 2HB ASN 39 -7.601 10.233 17.212
309 2HD2 ASN 39 2HD2 ASN 39 -6.430 8.466 19.216
310 1HD2 ASN 39 1HD2 ASN 39 -4.863 8.078 18.694
311 H LYS 40 H LYS 40 -7.814 13.284 19.139
312 HA LYS 40 HA LYS 40 -10.085 13.963 17.398
313 1HB LYS 40 1HB LYS 40 -9.991 13.310 19.933
314 2HB LYS 40 2HB LYS 40 -9.559 15.001 20.181
315 1HG LYS 40 1HG LYS 40 -11.616 15.616 18.829
316 2HG LYS 40 2HG LYS 40 -12.077 13.915 18.895
317 1HD LYS 40 1HD LYS 40 -12.674 14.034 21.092
318 2HD LYS 40 2HD LYS 40 -11.330 15.101 21.498
319 1HE LYS 40 1HE LYS 40 -12.511 17.039 20.765
320 2HE LYS 40 2HE LYS 40 -13.719 16.069 19.901
321 1HZ LYS 40 1HZ LYS 40 -14.117 15.004 22.183
322 2HZ LYS 40 2HZ LYS 40 -13.318 16.357 22.820
323 3HZ LYS 40 3HZ LYS 40 -14.747 16.560 21.924
324 H CYS 41 H CYS 41 -7.071 15.342 18.273
325 HA CYS 41 HA CYS 41 -7.681 18.147 18.192
326 1HB CYS 41 1HB CYS 41 -5.597 17.362 19.083
327 2HB CYS 41 2HB CYS 41 -5.241 16.446 17.623
328 H ALA 42 H ALA 42 -5.856 16.367 15.708
329 HA ALA 42 HA ALA 42 -6.178 18.141 13.577
330 1HB ALA 42 1HB ALA 42 -4.940 15.825 13.912
331 2HB ALA 42 2HB ALA 42 -5.388 16.356 12.291
332 3HB ALA 42 3HB ALA 42 -6.387 15.177 13.140
333 H THR 43 H THR 43 -8.497 15.819 14.864
334 HA THR 43 HA THR 43 -10.374 16.101 12.632
335 HB THR 43 HB THR 43 -10.599 14.956 15.437
336 HG1 THR 43 HG1 THR 43 -10.395 12.982 14.195
337 1HG2 THR 43 1HG2 THR 43 -12.774 15.591 14.285
338 2HG2 THR 43 2HG2 THR 43 -12.367 14.404 13.046
339 3HG2 THR 43 3HG2 THR 43 -12.617 13.888 14.714
340 H CYS 44 H CYS 44 -10.410 17.089 16.078
341 HA CYS 44 HA CYS 44 -12.768 18.614 16.087
342 1HB CYS 44 1HB CYS 44 -11.554 18.116 18.104
343 2HB CYS 44 2HB CYS 44 -10.107 18.924 17.502
344 H LYS 45 H LYS 45 -9.640 19.355 14.692
345 HA LYS 45 HA LYS 45 -9.960 22.206 14.437
346 1HB LYS 45 1HB LYS 45 -7.807 21.087 14.262
347 2HB LYS 45 2HB LYS 45 -8.378 20.121 12.901
348 1HG LYS 45 1HG LYS 45 -8.897 22.567 11.915
349 2HG LYS 45 2HG LYS 45 -7.558 22.985 12.984
350 1HD LYS 45 1HD LYS 45 -6.350 20.953 11.908
351 2HD LYS 45 2HD LYS 45 -7.576 21.081 10.647
352 1HE LYS 45 1HE LYS 45 -6.934 23.468 10.297
353 2HE LYS 45 2HE LYS 45 -5.653 23.274 11.509
354 1HZ LYS 45 1HZ LYS 45 -5.936 21.399 9.235
355 2HZ LYS 45 2HZ LYS 45 -5.045 22.837 9.077
356 3HZ LYS 45 3HZ LYS 45 -4.579 21.667 10.217
357 H MET 46 H MET 46 -10.542 19.515 12.139
358 HA MET 46 HA MET 46 -11.532 21.145 10.002
359 1HB MET 46 1HB MET 46 -12.328 19.000 9.136
360 2HB MET 46 2HB MET 46 -10.746 18.775 9.877
361 1HG MET 46 1HG MET 46 -11.575 17.376 11.445
362 2HG MET 46 2HG MET 46 -12.927 18.450 11.795
363 1HE MET 46 1HE MET 46 -15.005 18.569 10.813
364 2HE MET 46 2HE MET 46 -14.592 18.759 9.111
365 3HE MET 46 3HE MET 46 -15.738 17.513 9.598
366 H ILE 47 H ILE 47 -12.977 20.034 12.962
367 HA ILE 47 HA ILE 47 -15.746 20.122 12.290
368 HB ILE 47 HB ILE 47 -14.319 20.877 14.865
369 1HG1 ILE 47 1HG1 ILE 47 -13.709 18.629 13.919
370 2HG1 ILE 47 2HG1 ILE 47 -14.530 18.539 15.475
371 1HG2 ILE 47 1HG2 ILE 47 -17.160 20.433 14.107
372 2HG2 ILE 47 2HG2 ILE 47 -16.632 19.707 15.625
373 3HG2 ILE 47 3HG2 ILE 47 -16.479 21.447 15.380
374 1HD1 ILE 47 1HD1 ILE 47 -16.093 18.396 12.904
375 2HD1 ILE 47 2HD1 ILE 47 -15.322 16.956 13.570
376 3HD1 ILE 47 3HD1 ILE 47 -16.547 17.814 14.506
377 H LEU 48 H LEU 48 -13.473 22.675 13.259
378 HA LEU 48 HA LEU 48 -15.477 24.780 13.378
379 1HB LEU 48 1HB LEU 48 -12.455 24.640 13.242
380 2HB LEU 48 2HB LEU 48 -13.317 26.176 13.339
381 HG LEU 48 HG LEU 48 -12.728 25.524 15.589
382 1HD1 LEU 48 1HD1 LEU 48 -15.164 26.295 14.937
383 2HD1 LEU 48 2HD1 LEU 48 -15.597 24.656 15.424
384 3HD1 LEU 48 3HD1 LEU 48 -14.827 25.745 16.578
385 1HD2 LEU 48 1HD2 LEU 48 -12.562 23.034 14.856
386 2HD2 LEU 48 2HD2 LEU 48 -13.089 23.384 16.501
387 3HD2 LEU 48 3HD2 LEU 48 -14.275 22.958 15.267
388 H GLU 49 H GLU 49 -13.122 23.659 10.950
389 HA GLU 49 HA GLU 49 -13.429 25.705 9.018
390 1HB GLU 49 1HB GLU 49 -13.013 22.715 8.689
391 2HB GLU 49 2HB GLU 49 -12.648 23.930 7.464
392 1HG GLU 49 1HG GLU 49 -11.052 25.007 9.028
393 2HG GLU 49 2HG GLU 49 -11.397 23.756 10.223
394 H LYS 50 H LYS 50 -15.579 23.081 9.901
395 HA LYS 50 HA LYS 50 -17.194 23.029 7.520
396 1HB LYS 50 1HB LYS 50 -17.635 22.315 10.430
397 2HB LYS 50 2HB LYS 50 -18.840 21.994 9.183
398 1HG LYS 50 1HG LYS 50 -15.977 21.052 8.937
399 2HG LYS 50 2HG LYS 50 -17.222 20.078 9.717
400 1HD LYS 50 1HD LYS 50 -18.596 20.249 7.635
401 2HD LYS 50 2HD LYS 50 -17.263 21.108 6.864
402 1HE LYS 50 1HE LYS 50 -16.875 18.381 8.125
403 2HE LYS 50 2HE LYS 50 -17.360 18.576 6.430
404 1HZ LYS 50 1HZ LYS 50 -15.032 19.947 7.674
405 2HZ LYS 50 2HZ LYS 50 -14.908 18.520 6.767
406 3HZ LYS 50 3HZ LYS 50 -15.457 19.949 6.029
407 H GLU 51 H GLU 51 -17.285 24.993 10.472
408 HA GLU 51 HA GLU 51 -19.861 26.190 10.054
409 1HB GLU 51 1HB GLU 51 -17.356 27.204 11.440
410 2HB GLU 51 2HB GLU 51 -18.984 27.833 11.693
411 1HG GLU 51 1HG GLU 51 -19.725 25.644 12.515
412 2HG GLU 51 2HG GLU 51 -18.127 24.967 12.203
413 H ALA 52 H ALA 52 -16.716 26.779 8.643
414 HA ALA 52 HA ALA 52 -17.209 29.479 7.720
415 1HB ALA 52 1HB ALA 52 -15.074 27.802 7.945
416 2HB ALA 52 2HB ALA 52 -15.064 29.253 6.943
417 3HB ALA 52 3HB ALA 52 -15.392 27.681 6.214
418 H LYS 53 H LYS 53 -18.111 26.310 6.568
419 HA LYS 53 HA LYS 53 -18.642 27.151 3.812
420 1HB LYS 53 1HB LYS 53 -19.187 24.710 5.513
421 2HB LYS 53 2HB LYS 53 -19.756 24.826 3.848
422 1HG LYS 53 1HG LYS 53 -17.427 25.242 3.098
423 2HG LYS 53 2HG LYS 53 -16.874 25.068 4.764
424 1HD LYS 53 1HD LYS 53 -17.763 22.762 4.815
425 2HD LYS 53 2HD LYS 53 -18.303 22.936 3.145
426 1HE LYS 53 1HE LYS 53 -16.006 23.206 2.374
427 2HE LYS 53 2HE LYS 53 -15.412 23.216 4.045
428 1HZ LYS 53 1HZ LYS 53 -17.112 21.004 3.086
429 2HZ LYS 53 2HZ LYS 53 -15.453 20.993 2.734
430 3HZ LYS 53 3HZ LYS 53 -15.978 21.009 4.350
431 H SER 54 H SER 54 -20.399 27.056 6.835
432 HA SER 54 HA SER 54 -23.066 27.151 5.672
433 1HB SER 54 1HB SER 54 -21.910 27.813 8.399
434 2HB SER 54 2HB SER 54 -23.639 27.747 8.054
435 HG SER 54 HG SER 54 -21.793 25.711 8.312
436 H GLN 55 H GLN 55 -20.570 29.487 6.311
437 HA GLN 55 HA GLN 55 -22.019 31.608 4.979
438 1HB GLN 55 1HB GLN 55 -22.471 32.992 6.934
439 2HB GLN 55 2HB GLN 55 -23.202 31.408 7.190
440 1HG GLN 55 1HG GLN 55 -21.170 30.725 8.474
441 2HG GLN 55 2HG GLN 55 -20.543 32.363 8.293
442 2HE2 GLN 55 2HE2 GLN 55 -20.687 32.930 10.550
443 1HE2 GLN 55 1HE2 GLN 55 -22.173 33.079 11.358
No H/Q in entry = 443
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -22.996 15.521 8.582
2 H2 LYS 1 H2 LYS 1 -21.870 14.612 7.693
3 H3 LYS 1 H3 LYS 1 -22.113 14.284 9.339
4 HA LYS 1 HA LYS 1 -20.206 15.521 9.500
5 1HB LYS 1 1HB LYS 1 -19.641 17.175 7.797
6 2HB LYS 1 2HB LYS 1 -20.229 15.718 6.995
7 1HG LYS 1 1HG LYS 1 -22.506 16.765 6.891
8 2HG LYS 1 2HG LYS 1 -21.808 18.248 7.541
9 1HD LYS 1 1HD LYS 1 -21.837 18.507 5.157
10 2HD LYS 1 2HD LYS 1 -20.161 18.180 5.600
11 1HE LYS 1 1HE LYS 1 -20.433 15.814 4.987
12 2HE LYS 1 2HE LYS 1 -22.143 16.094 4.608
13 1HZ LYS 1 1HZ LYS 1 -20.065 17.809 3.409
14 2HZ LYS 1 2HZ LYS 1 -20.379 16.283 2.729
15 3HZ LYS 1 3HZ LYS 1 -21.617 17.440 2.823
16 H ASN 2 H ASN 2 -22.613 15.880 10.954
17 HA ASN 2 HA ASN 2 -23.090 18.807 11.100
18 1HB ASN 2 1HB ASN 2 -24.900 17.040 11.123
19 2HB ASN 2 2HB ASN 2 -24.284 16.517 12.691
20 2HD2 ASN 2 2HD2 ASN 2 -26.417 17.202 13.618
21 1HD2 ASN 2 1HD2 ASN 2 -26.706 18.847 13.923
22 H GLU 3 H GLU 3 -21.878 20.013 12.504
23 HA GLU 3 HA GLU 3 -19.908 19.025 14.267
24 1HB GLU 3 1HB GLU 3 -21.562 21.569 14.351
25 2HB GLU 3 2HB GLU 3 -20.041 21.332 15.212
26 1HG GLU 3 1HG GLU 3 -18.815 21.116 13.166
27 2HG GLU 3 2HG GLU 3 -20.295 20.988 12.216
28 H ASP 4 H ASP 4 -23.356 19.194 14.670
29 HA ASP 4 HA ASP 4 -23.333 19.094 17.597
30 1HB ASP 4 1HB ASP 4 -25.321 18.909 15.354
31 2HB ASP 4 2HB ASP 4 -25.814 18.430 16.977
32 H GLN 5 H GLN 5 -22.322 16.890 15.406
33 HA GLN 5 HA GLN 5 -23.427 14.554 16.935
34 1HB GLN 5 1HB GLN 5 -22.569 14.992 14.069
35 2HB GLN 5 2HB GLN 5 -22.723 13.368 14.739
36 1HG GLN 5 1HG GLN 5 -25.065 13.809 15.323
37 2HG GLN 5 2HG GLN 5 -24.919 15.462 14.728
38 2HE2 GLN 5 2HE2 GLN 5 -23.887 12.272 13.372
39 1HE2 GLN 5 1HE2 GLN 5 -24.648 12.502 11.872
40 H GLU 6 H GLU 6 -20.583 16.156 15.658
41 HA GLU 6 HA GLU 6 -18.854 14.227 17.177
42 1HB GLU 6 1HB GLU 6 -18.388 15.664 14.542
43 2HB GLU 6 2HB GLU 6 -17.179 14.680 15.366
44 1HG GLU 6 1HG GLU 6 -18.539 12.698 15.143
45 2HG GLU 6 2HG GLU 6 -19.904 13.640 14.544
46 H MET 7 H MET 7 -20.121 16.933 17.818
47 HA MET 7 HA MET 7 -18.493 19.143 17.782
48 1HB MET 7 1HB MET 7 -19.451 19.607 20.053
49 2HB MET 7 2HB MET 7 -20.656 19.020 18.906
50 1HG MET 7 1HG MET 7 -20.079 16.665 19.832
51 2HG MET 7 2HG MET 7 -19.340 17.534 21.176
52 1HE MET 7 1HE MET 7 -20.829 16.133 22.586
53 2HE MET 7 2HE MET 7 -22.575 16.317 22.796
54 3HE MET 7 3HE MET 7 -21.940 15.452 21.401
55 H CYS 8 H CYS 8 -16.947 19.978 19.475
56 HA CYS 8 HA CYS 8 -15.398 17.861 20.889
57 1HB CYS 8 1HB CYS 8 -14.599 18.350 18.484
58 2HB CYS 8 2HB CYS 8 -14.090 19.921 19.104
59 H HIS 9 H HIS 9 -15.984 18.816 22.904
60 HA HIS 9 HA HIS 9 -15.563 21.701 23.344
61 1HB HIS 9 1HB HIS 9 -16.384 19.381 25.122
62 2HB HIS 9 2HB HIS 9 -16.392 21.071 25.625
63 HD1 HIS 9 HD1 HIS 9 -17.986 18.794 23.028
64 HD2 HIS 9 HD2 HIS 9 -18.668 22.479 24.853
65 HE1 HIS 9 HE1 HIS 9 -20.273 19.562 22.258
66 H GLU 10 H GLU 10 -13.746 18.782 23.631
67 HA GLU 10 HA GLU 10 -12.024 19.462 25.829
68 1HB GLU 10 1HB GLU 10 -11.779 17.699 23.380
69 2HB GLU 10 2HB GLU 10 -10.544 17.749 24.638
70 1HG GLU 10 1HG GLU 10 -12.209 17.089 26.321
71 2HG GLU 10 2HG GLU 10 -13.471 17.087 25.090
72 H PHE 11 H PHE 11 -11.947 20.240 22.373
73 HA PHE 11 HA PHE 11 -9.308 21.577 22.669
74 1HB PHE 11 1HB PHE 11 -11.132 20.759 20.422
75 2HB PHE 11 2HB PHE 11 -9.822 21.896 20.127
76 HD1 PHE 11 HD1 PHE 11 -10.598 18.467 21.361
77 HD2 PHE 11 HD2 PHE 11 -7.555 21.176 20.003
78 HE1 PHE 11 HE1 PHE 11 -8.987 16.590 21.225
79 HE2 PHE 11 HE2 PHE 11 -5.944 19.299 19.868
80 HZ PHE 11 HZ PHE 11 -6.660 17.007 20.479
81 H GLN 12 H GLN 12 -12.690 22.332 22.644
82 HA GLN 12 HA GLN 12 -12.887 24.857 21.496
83 1HB GLN 12 1HB GLN 12 -14.714 23.612 22.593
84 2HB GLN 12 2HB GLN 12 -13.976 23.910 24.168
85 1HG GLN 12 1HG GLN 12 -14.149 26.393 23.655
86 2HG GLN 12 2HG GLN 12 -15.129 25.958 22.255
87 2HE2 GLN 12 2HE2 GLN 12 -15.115 24.490 25.543
88 1HE2 GLN 12 1HE2 GLN 12 -16.752 24.811 25.857
89 H ALA 13 H ALA 13 -11.131 23.940 24.387
90 HA ALA 13 HA ALA 13 -10.793 26.627 25.439
91 1HB ALA 13 1HB ALA 13 -8.769 25.177 26.498
92 2HB ALA 13 2HB ALA 13 -10.434 25.029 27.059
93 3HB ALA 13 3HB ALA 13 -9.785 23.863 25.906
94 H PHE 14 H PHE 14 -9.237 24.724 22.962
95 HA PHE 14 HA PHE 14 -6.813 26.414 22.917
96 1HB PHE 14 1HB PHE 14 -7.767 24.207 21.066
97 2HB PHE 14 2HB PHE 14 -6.121 24.811 21.227
98 HD1 PHE 14 HD1 PHE 14 -6.043 25.129 24.234
99 HD2 PHE 14 HD2 PHE 14 -7.482 21.943 21.741
100 HE1 PHE 14 HE1 PHE 14 -5.626 23.507 26.065
101 HE2 PHE 14 HE2 PHE 14 -7.065 20.321 23.567
102 HZ PHE 14 HZ PHE 14 -6.137 21.103 25.732
103 H MET 15 H MET 15 -9.755 27.263 22.131
104 HA MET 15 HA MET 15 -9.251 28.084 19.322
105 1HB MET 15 1HB MET 15 -11.608 28.404 19.255
106 2HB MET 15 2HB MET 15 -11.377 26.960 20.230
107 1HG MET 15 1HG MET 15 -11.430 28.486 22.271
108 2HG MET 15 2HG MET 15 -11.976 29.765 21.188
109 1HE MET 15 1HE MET 15 -14.050 29.761 19.814
110 2HE MET 15 2HE MET 15 -13.678 28.214 19.059
111 3HE MET 15 3HE MET 15 -15.279 28.500 19.758
112 H LYS 16 H LYS 16 -8.303 30.061 19.045
113 HA LYS 16 HA LYS 16 -8.529 32.117 21.181
114 1HB LYS 16 1HB LYS 16 -6.340 31.385 20.155
115 2HB LYS 16 2HB LYS 16 -6.894 32.064 18.625
116 1HG LYS 16 1HG LYS 16 -7.357 34.091 20.500
117 2HG LYS 16 2HG LYS 16 -5.787 33.424 20.948
118 1HD LYS 16 1HD LYS 16 -5.148 33.598 18.488
119 2HD LYS 16 2HD LYS 16 -6.622 34.539 18.261
120 1HE LYS 16 1HE LYS 16 -5.849 36.290 19.681
121 2HE LYS 16 2HE LYS 16 -4.562 35.275 20.358
122 1HZ LYS 16 1HZ LYS 16 -3.773 35.058 17.967
123 2HZ LYS 16 2HZ LYS 16 -4.794 36.364 17.609
124 3HZ LYS 16 3HZ LYS 16 -3.516 36.564 18.711
125 H ASN 17 H ASN 17 -10.786 32.676 20.682
126 HA ASN 17 HA ASN 17 -12.413 34.033 19.647
127 1HB ASN 17 1HB ASN 17 -9.915 35.152 18.337
128 2HB ASN 17 2HB ASN 17 -11.472 35.971 18.452
129 2HD2 ASN 17 2HD2 ASN 17 -8.512 36.048 19.850
130 1HD2 ASN 17 1HD2 ASN 17 -8.932 36.470 21.439
131 H GLY 18 H GLY 18 -12.329 31.572 18.485
132 1HA GLY 18 1HA GLY 18 -12.908 32.216 15.659
133 2HA GLY 18 2HA GLY 18 -13.342 30.721 16.487
134 H LYS 19 H LYS 19 -10.101 31.752 16.984
135 HA LYS 19 HA LYS 19 -9.051 30.199 14.684
136 1HB LYS 19 1HB LYS 19 -8.252 32.494 15.664
137 2HB LYS 19 2HB LYS 19 -7.440 31.498 16.872
138 1HG LYS 19 1HG LYS 19 -7.131 31.012 13.903
139 2HG LYS 19 2HG LYS 19 -6.063 32.095 14.796
140 1HD LYS 19 1HD LYS 19 -5.594 30.187 16.381
141 2HD LYS 19 2HD LYS 19 -6.495 29.135 15.290
142 1HE LYS 19 1HE LYS 19 -3.960 29.170 14.931
143 2HE LYS 19 2HE LYS 19 -4.925 29.541 13.489
144 1HZ LYS 19 1HZ LYS 19 -4.199 31.716 15.331
145 2HZ LYS 19 2HZ LYS 19 -3.021 31.149 14.249
146 3HZ LYS 19 3HZ LYS 19 -4.486 31.775 13.658
147 H LEU 20 H LEU 20 -8.390 28.088 14.918
148 HA LEU 20 HA LEU 20 -8.209 26.995 17.699
149 1HB LEU 20 1HB LEU 20 -9.849 26.214 15.792
150 2HB LEU 20 2HB LEU 20 -8.428 25.362 15.186
151 HG LEU 20 HG LEU 20 -9.677 25.078 17.934
152 1HD1 LEU 20 1HD1 LEU 20 -10.287 23.839 15.517
153 2HD1 LEU 20 2HD1 LEU 20 -9.219 22.687 16.318
154 3HD1 LEU 20 3HD1 LEU 20 -10.693 23.230 17.121
155 1HD2 LEU 20 1HD2 LEU 20 -7.129 23.938 16.757
156 2HD2 LEU 20 2HD2 LEU 20 -7.284 24.947 18.196
157 3HD2 LEU 20 3HD2 LEU 20 -7.901 23.295 18.206
158 H PHE 21 H PHE 21 -6.068 26.973 18.322
159 HA PHE 21 HA PHE 21 -3.977 26.371 16.289
160 1HB PHE 21 1HB PHE 21 -2.495 26.973 18.330
161 2HB PHE 21 2HB PHE 21 -3.445 28.267 17.604
162 HD1 PHE 21 HD1 PHE 21 -3.218 25.927 20.470
163 HD2 PHE 21 HD2 PHE 21 -5.285 29.290 18.775
164 HE1 PHE 21 HE1 PHE 21 -4.334 26.337 22.645
165 HE2 PHE 21 HE2 PHE 21 -6.402 29.699 20.952
166 HZ PHE 21 HZ PHE 21 -5.925 28.223 22.886
167 H CYS 22 H CYS 22 -5.188 24.104 16.443
168 HA CYS 22 HA CYS 22 -4.937 22.335 18.596
169 1HB CYS 22 1HB CYS 22 -5.820 22.226 16.048
170 2HB CYS 22 2HB CYS 22 -4.324 21.309 15.873
171 HA PRO 23 HA PRO 23 -0.530 21.137 16.962
172 1HB PRO 23 1HB PRO 23 0.563 23.470 15.683
173 2HB PRO 23 2HB PRO 23 0.247 21.885 14.973
174 1HG PRO 23 1HG PRO 23 -1.158 24.317 14.476
175 2HG PRO 23 2HG PRO 23 -1.539 22.712 13.849
176 1HD PRO 23 1HD PRO 23 -2.938 24.243 15.891
177 2HD PRO 23 2HD PRO 23 -3.417 22.706 15.141
178 H GLN 24 H GLN 24 -0.664 21.639 19.386
179 HA GLN 24 HA GLN 24 1.072 23.990 20.059
180 1HB GLN 24 1HB GLN 24 -0.228 23.893 22.259
181 2HB GLN 24 2HB GLN 24 -1.166 24.381 20.849
182 1HG GLN 24 1HG GLN 24 -2.255 22.300 20.702
183 2HG GLN 24 2HG GLN 24 -1.023 21.482 21.660
184 2HE2 GLN 24 2HE2 GLN 24 -1.057 21.838 24.019
185 1HE2 GLN 24 1HE2 GLN 24 -2.447 22.438 24.785
186 H ASP 25 H ASP 25 0.349 22.086 22.748
187 HA ASP 25 HA ASP 25 3.049 20.868 22.685
188 1HB ASP 25 1HB ASP 25 2.358 22.129 24.650
189 2HB ASP 25 2HB ASP 25 0.881 21.174 24.786
190 H LYS 26 H LYS 26 2.031 19.391 20.875
191 HA LYS 26 HA LYS 26 0.103 17.378 21.587
192 1HB LYS 26 1HB LYS 26 2.196 17.765 19.454
193 2HB LYS 26 2HB LYS 26 1.252 16.277 19.522
194 1HG LYS 26 1HG LYS 26 -0.812 17.470 19.258
195 2HG LYS 26 2HG LYS 26 -0.019 19.025 19.519
196 1HD LYS 26 1HD LYS 26 0.368 19.187 17.309
197 2HD LYS 26 2HD LYS 26 1.333 17.713 17.376
198 1HE LYS 26 1HE LYS 26 -0.693 16.347 17.063
199 2HE LYS 26 2HE LYS 26 -1.690 17.814 17.048
200 1HZ LYS 26 1HZ LYS 26 0.647 17.513 15.256
201 2HZ LYS 26 2HZ LYS 26 -0.873 16.909 14.807
202 3HZ LYS 26 3HZ LYS 26 -0.675 18.570 15.103
203 H LYS 27 H LYS 27 3.241 17.803 22.727
204 HA LYS 27 HA LYS 27 4.574 15.392 22.729
205 1HB LYS 27 1HB LYS 27 4.000 17.397 24.918
206 2HB LYS 27 2HB LYS 27 5.123 16.062 25.159
207 1HG LYS 27 1HG LYS 27 6.470 16.811 23.255
208 2HG LYS 27 2HG LYS 27 5.317 18.104 22.925
209 1HD LYS 27 1HD LYS 27 5.774 19.038 25.196
210 2HD LYS 27 2HD LYS 27 7.001 17.793 25.429
211 1HE LYS 27 1HE LYS 27 8.062 19.881 24.652
212 2HE LYS 27 2HE LYS 27 8.184 18.647 23.383
213 1HZ LYS 27 1HZ LYS 27 5.857 20.469 23.553
214 2HZ LYS 27 2HZ LYS 27 7.267 20.930 22.724
215 3HZ LYS 27 3HZ LYS 27 6.392 19.563 22.223
216 H PHE 28 H PHE 28 1.495 16.081 24.275
217 HA PHE 28 HA PHE 28 1.215 14.110 26.210
218 1HB PHE 28 1HB PHE 28 -0.784 14.829 24.041
219 2HB PHE 28 2HB PHE 28 -1.163 14.220 25.651
220 HD1 PHE 28 HD1 PHE 28 0.446 15.676 27.489
221 HD2 PHE 28 HD2 PHE 28 -1.358 17.079 23.852
222 HE1 PHE 28 HE1 PHE 28 0.463 17.992 28.373
223 HE2 PHE 28 HE2 PHE 28 -1.343 19.396 24.735
224 HZ PHE 28 HZ PHE 28 -0.431 19.852 26.998
225 H PHE 29 H PHE 29 1.538 13.668 22.755
226 HA PHE 29 HA PHE 29 0.386 11.238 22.161
227 1HB PHE 29 1HB PHE 29 1.805 12.656 20.687
228 2HB PHE 29 2HB PHE 29 3.235 12.090 21.551
229 HD1 PHE 29 HD1 PHE 29 3.629 9.532 21.646
230 HD2 PHE 29 HD2 PHE 29 0.949 11.426 18.874
231 HE1 PHE 29 HE1 PHE 29 3.711 7.523 20.194
232 HE2 PHE 29 HE2 PHE 29 1.033 9.417 17.421
233 HZ PHE 29 HZ PHE 29 2.413 7.466 18.080
234 H GLN 30 H GLN 30 3.027 11.771 24.407
235 HA GLN 30 HA GLN 30 3.966 9.036 24.521
236 1HB GLN 30 1HB GLN 30 5.255 9.870 26.371
237 2HB GLN 30 2HB GLN 30 5.137 11.191 25.208
238 1HG GLN 30 1HG GLN 30 3.355 12.231 26.480
239 2HG GLN 30 2HG GLN 30 3.260 10.843 27.564
240 2HE2 GLN 30 2HE2 GLN 30 4.541 13.931 27.341
241 1HE2 GLN 30 1HE2 GLN 30 5.817 13.775 28.449
242 H SER 31 H SER 31 1.000 10.278 25.410
243 HA SER 31 HA SER 31 0.625 8.101 27.432
244 1HB SER 31 1HB SER 31 0.907 10.134 28.681
245 2HB SER 31 2HB SER 31 -0.136 11.029 27.577
246 HG SER 31 HG SER 31 -1.852 9.635 28.254
247 H LEU 32 H LEU 32 -1.650 7.406 27.596
248 HA LEU 32 HA LEU 32 -2.984 7.061 25.125
249 1HB LEU 32 1HB LEU 32 -3.178 6.044 27.605
250 2HB LEU 32 2HB LEU 32 -4.553 7.149 27.656
251 HG LEU 32 HG LEU 32 -4.134 5.240 25.352
252 1HD1 LEU 32 1HD1 LEU 32 -5.547 4.778 27.991
253 2HD1 LEU 32 2HD1 LEU 32 -5.869 3.816 26.549
254 3HD1 LEU 32 3HD1 LEU 32 -4.262 3.805 27.275
255 1HD2 LEU 32 1HD2 LEU 32 -5.692 7.155 25.070
256 2HD2 LEU 32 2HD2 LEU 32 -6.542 5.611 25.043
257 3HD2 LEU 32 3HD2 LEU 32 -6.587 6.617 26.490
258 H ASP 33 H ASP 33 -3.814 9.302 27.783
259 HA ASP 33 HA ASP 33 -5.993 10.615 26.568
260 1HB ASP 33 1HB ASP 33 -4.941 10.795 28.930
261 2HB ASP 33 2HB ASP 33 -3.862 11.993 28.215
262 H GLY 34 H GLY 34 -2.514 11.083 26.159
263 1HA GLY 34 1HA GLY 34 -1.317 12.429 24.641
264 2HA GLY 34 2HA GLY 34 -2.753 13.440 24.494
265 H ILE 35 H ILE 35 -2.107 10.005 23.784
266 HA ILE 35 HA ILE 35 -2.127 10.151 20.966
267 HB ILE 35 HB ILE 35 -2.876 8.097 23.037
268 1HG1 ILE 35 1HG1 ILE 35 -0.508 8.555 22.626
269 2HG1 ILE 35 2HG1 ILE 35 -0.911 6.949 22.020
270 1HG2 ILE 35 1HG2 ILE 35 -3.291 7.918 20.053
271 2HG2 ILE 35 2HG2 ILE 35 -2.951 6.477 21.012
272 3HG2 ILE 35 3HG2 ILE 35 -4.390 7.440 21.346
273 1HD1 ILE 35 1HD1 ILE 35 -1.441 8.774 19.912
274 2HD1 ILE 35 2HD1 ILE 35 0.139 9.203 20.569
275 3HD1 ILE 35 3HD1 ILE 35 -0.159 7.565 19.989
276 H MET 36 H MET 36 -4.778 10.198 23.290
277 HA MET 36 HA MET 36 -6.896 9.850 21.323
278 1HB MET 36 1HB MET 36 -6.618 10.650 24.201
279 2HB MET 36 2HB MET 36 -8.154 10.931 23.383
280 1HG MET 36 1HG MET 36 -6.750 8.252 23.318
281 2HG MET 36 2HG MET 36 -7.914 8.677 24.573
282 1HE MET 36 1HE MET 36 -7.639 6.458 22.665
283 2HE MET 36 2HE MET 36 -9.343 6.144 23.018
284 3HE MET 36 3HE MET 36 -8.802 6.308 21.350
285 H PHE 37 H PHE 37 -6.154 12.721 23.356
286 HA PHE 37 HA PHE 37 -7.612 14.621 21.946
287 1HB PHE 37 1HB PHE 37 -6.631 15.835 23.583
288 2HB PHE 37 2HB PHE 37 -5.520 14.505 23.895
289 HD1 PHE 37 HD1 PHE 37 -3.315 14.419 22.749
290 HD2 PHE 37 HD2 PHE 37 -5.943 17.785 22.356
291 HE1 PHE 37 HE1 PHE 37 -1.443 15.770 21.854
292 HE2 PHE 37 HE2 PHE 37 -4.072 19.141 21.456
293 HZ PHE 37 HZ PHE 37 -1.825 18.126 21.205
294 H ILE 38 H ILE 38 -4.225 13.637 21.251
295 HA ILE 38 HA ILE 38 -3.740 15.240 18.995
296 HB ILE 38 HB ILE 38 -2.959 12.394 19.692
297 1HG1 ILE 38 1HG1 ILE 38 -1.664 15.109 20.028
298 2HG1 ILE 38 2HG1 ILE 38 -2.112 13.964 21.291
299 1HG2 ILE 38 1HG2 ILE 38 -2.808 13.091 17.187
300 2HG2 ILE 38 2HG2 ILE 38 -1.498 14.145 17.719
301 3HG2 ILE 38 3HG2 ILE 38 -1.374 12.400 17.947
302 1HD1 ILE 38 1HD1 ILE 38 -0.457 12.447 19.690
303 2HD1 ILE 38 2HD1 ILE 38 0.294 14.040 19.604
304 3HD1 ILE 38 3HD1 ILE 38 0.043 13.268 21.169
305 H ASN 39 H ASN 39 -5.534 12.186 19.252
306 HA ASN 39 HA ASN 39 -5.959 11.847 16.409
307 1HB ASN 39 1HB ASN 39 -7.307 10.824 18.921
308 2HB ASN 39 2HB ASN 39 -7.773 10.287 17.308
309 2HD2 ASN 39 2HD2 ASN 39 -6.576 8.555 19.343
310 1HD2 ASN 39 1HD2 ASN 39 -5.081 8.027 18.732
311 H LYS 40 H LYS 40 -7.776 13.400 19.021
312 HA LYS 40 HA LYS 40 -10.027 14.113 17.265
313 1HB LYS 40 1HB LYS 40 -9.201 14.700 20.120
314 2HB LYS 40 2HB LYS 40 -10.664 15.377 19.407
315 1HG LYS 40 1HG LYS 40 -11.519 13.133 18.949
316 2HG LYS 40 2HG LYS 40 -10.026 12.416 19.555
317 1HD LYS 40 1HD LYS 40 -10.677 13.948 21.684
318 2HD LYS 40 2HD LYS 40 -12.293 13.624 21.054
319 1HE LYS 40 1HE LYS 40 -11.643 11.153 20.988
320 2HE LYS 40 2HE LYS 40 -10.205 11.602 21.926
321 1HZ LYS 40 1HZ LYS 40 -12.869 12.571 22.740
322 2HZ LYS 40 2HZ LYS 40 -12.388 11.002 23.168
323 3HZ LYS 40 3HZ LYS 40 -11.479 12.340 23.690
324 H CYS 41 H CYS 41 -6.966 15.409 18.165
325 HA CYS 41 HA CYS 41 -7.266 18.188 18.072
326 1HB CYS 41 1HB CYS 41 -5.178 16.993 18.521
327 2HB CYS 41 2HB CYS 41 -5.148 16.373 16.874
328 H ALA 42 H ALA 42 -6.223 16.301 15.230
329 HA ALA 42 HA ALA 42 -6.886 18.339 13.324
330 1HB ALA 42 1HB ALA 42 -5.442 16.059 13.344
331 2HB ALA 42 2HB ALA 42 -5.996 16.810 11.848
332 3HB ALA 42 3HB ALA 42 -6.897 15.463 12.545
333 H THR 43 H THR 43 -8.727 15.624 14.649
334 HA THR 43 HA THR 43 -10.896 15.709 12.747
335 HB THR 43 HB THR 43 -10.720 14.750 15.624
336 HG1 THR 43 HG1 THR 43 -10.655 13.122 13.349
337 1HG2 THR 43 1HG2 THR 43 -12.852 14.665 13.567
338 2HG2 THR 43 2HG2 THR 43 -12.547 13.151 14.419
339 3HG2 THR 43 3HG2 THR 43 -12.979 14.601 15.324
340 H CYS 44 H CYS 44 -10.307 17.287 15.877
341 HA CYS 44 HA CYS 44 -12.947 18.517 16.015
342 1HB CYS 44 1HB CYS 44 -10.304 18.984 17.433
343 2HB CYS 44 2HB CYS 44 -11.821 19.755 17.900
344 H LYS 45 H LYS 45 -9.786 19.395 14.735
345 HA LYS 45 HA LYS 45 -10.172 22.214 14.450
346 1HB LYS 45 1HB LYS 45 -8.005 21.155 14.231
347 2HB LYS 45 2HB LYS 45 -8.581 20.142 12.907
348 1HG LYS 45 1HG LYS 45 -9.165 22.585 11.895
349 2HG LYS 45 2HG LYS 45 -7.774 23.003 12.894
350 1HD LYS 45 1HD LYS 45 -6.491 21.155 11.805
351 2HD LYS 45 2HD LYS 45 -7.871 20.864 10.746
352 1HE LYS 45 1HE LYS 45 -7.689 23.131 9.828
353 2HE LYS 45 2HE LYS 45 -6.366 23.500 10.950
354 1HZ LYS 45 1HZ LYS 45 -6.166 21.062 9.338
355 2HZ LYS 45 2HZ LYS 45 -5.904 22.539 8.545
356 3HZ LYS 45 3HZ LYS 45 -4.938 22.107 9.873
357 H MET 46 H MET 46 -10.862 19.500 12.224
358 HA MET 46 HA MET 46 -11.822 21.094 10.048
359 1HB MET 46 1HB MET 46 -12.831 18.924 9.348
360 2HB MET 46 2HB MET 46 -11.162 18.734 9.880
361 1HG MET 46 1HG MET 46 -11.759 17.444 11.646
362 2HG MET 46 2HG MET 46 -13.108 18.500 12.065
363 1HE MET 46 1HE MET 46 -11.941 16.977 8.989
364 2HE MET 46 2HE MET 46 -12.229 15.297 9.463
365 3HE MET 46 3HE MET 46 -13.284 16.077 8.288
366 H ILE 47 H ILE 47 -13.293 20.070 13.051
367 HA ILE 47 HA ILE 47 -16.051 20.271 12.428
368 HB ILE 47 HB ILE 47 -14.589 21.114 14.953
369 1HG1 ILE 47 1HG1 ILE 47 -13.829 18.914 14.414
370 2HG1 ILE 47 2HG1 ILE 47 -15.103 18.699 15.612
371 1HG2 ILE 47 1HG2 ILE 47 -17.291 21.263 14.320
372 2HG2 ILE 47 2HG2 ILE 47 -17.158 19.735 15.190
373 3HG2 ILE 47 3HG2 ILE 47 -16.616 21.231 15.950
374 1HD1 ILE 47 1HD1 ILE 47 -15.484 18.492 12.609
375 2HD1 ILE 47 2HD1 ILE 47 -15.350 17.121 13.711
376 3HD1 ILE 47 3HD1 ILE 47 -16.724 18.218 13.833
377 H LEU 48 H LEU 48 -13.722 22.797 13.393
378 HA LEU 48 HA LEU 48 -15.639 24.960 13.408
379 1HB LEU 48 1HB LEU 48 -12.633 24.690 13.261
380 2HB LEU 48 2HB LEU 48 -13.412 26.272 13.234
381 HG LEU 48 HG LEU 48 -12.801 25.668 15.534
382 1HD1 LEU 48 1HD1 LEU 48 -15.200 26.650 14.715
383 2HD1 LEU 48 2HD1 LEU 48 -15.733 25.238 15.629
384 3HD1 LEU 48 3HD1 LEU 48 -14.751 26.476 16.412
385 1HD2 LEU 48 1HD2 LEU 48 -12.964 23.168 15.067
386 2HD2 LEU 48 2HD2 LEU 48 -13.639 23.697 16.609
387 3HD2 LEU 48 3HD2 LEU 48 -14.710 23.336 15.255
388 H GLU 49 H GLU 49 -13.384 23.668 10.971
389 HA GLU 49 HA GLU 49 -13.772 25.687 8.982
390 1HB GLU 49 1HB GLU 49 -13.116 22.730 8.800
391 2HB GLU 49 2HB GLU 49 -12.896 23.883 7.484
392 1HG GLU 49 1HG GLU 49 -11.628 24.223 10.214
393 2HG GLU 49 2HG GLU 49 -10.815 23.428 8.866
394 H LYS 50 H LYS 50 -15.680 22.881 9.903
395 HA LYS 50 HA LYS 50 -17.291 22.577 7.581
396 1HB LYS 50 1HB LYS 50 -17.670 22.124 10.542
397 2HB LYS 50 2HB LYS 50 -18.945 21.725 9.391
398 1HG LYS 50 1HG LYS 50 -17.159 20.398 8.114
399 2HG LYS 50 2HG LYS 50 -16.151 20.580 9.548
400 1HD LYS 50 1HD LYS 50 -18.082 19.610 10.887
401 2HD LYS 50 2HD LYS 50 -18.844 19.211 9.348
402 1HE LYS 50 1HE LYS 50 -16.978 17.780 8.727
403 2HE LYS 50 2HE LYS 50 -16.061 18.292 10.156
404 1HZ LYS 50 1HZ LYS 50 -18.791 17.197 10.425
405 2HZ LYS 50 2HZ LYS 50 -17.464 16.145 10.298
406 3HZ LYS 50 3HZ LYS 50 -17.549 17.251 11.581
407 H GLU 51 H GLU 51 -17.893 24.547 10.516
408 HA GLU 51 HA GLU 51 -20.330 25.734 9.523
409 1HB GLU 51 1HB GLU 51 -19.974 27.233 11.471
410 2HB GLU 51 2HB GLU 51 -19.700 25.545 11.901
411 1HG GLU 51 1HG GLU 51 -17.445 25.844 12.187
412 2HG GLU 51 2HG GLU 51 -17.337 27.048 10.901
413 H ALA 52 H ALA 52 -16.966 26.380 8.959
414 HA ALA 52 HA ALA 52 -17.125 29.177 8.301
415 1HB ALA 52 1HB ALA 52 -15.264 26.930 8.161
416 2HB ALA 52 2HB ALA 52 -15.091 28.014 6.782
417 3HB ALA 52 3HB ALA 52 -14.926 28.641 8.422
418 H LYS 53 H LYS 53 -18.179 26.326 6.649
419 HA LYS 53 HA LYS 53 -18.079 27.478 3.952
420 1HB LYS 53 1HB LYS 53 -19.244 24.998 5.238
421 2HB LYS 53 2HB LYS 53 -19.447 25.345 3.520
422 1HG LYS 53 1HG LYS 53 -17.012 25.422 3.226
423 2HG LYS 53 2HG LYS 53 -16.778 25.149 4.953
424 1HD LYS 53 1HD LYS 53 -18.112 22.992 4.657
425 2HD LYS 53 2HD LYS 53 -17.958 23.244 2.919
426 1HE LYS 53 1HE LYS 53 -15.481 23.282 3.156
427 2HE LYS 53 2HE LYS 53 -15.661 22.969 4.893
428 1HZ LYS 53 1HZ LYS 53 -17.003 21.273 2.872
429 2HZ LYS 53 2HZ LYS 53 -15.402 20.958 3.344
430 3HZ LYS 53 3HZ LYS 53 -16.649 20.909 4.493
431 H SER 54 H SER 54 -20.539 26.937 6.469
432 HA SER 54 HA SER 54 -22.817 27.737 4.912
433 1HB SER 54 1HB SER 54 -23.875 27.878 7.127
434 2HB SER 54 2HB SER 54 -22.832 26.458 7.050
435 HG SER 54 HG SER 54 -22.000 28.969 8.055
436 H GLN 55 H GLN 55 -20.227 29.539 6.320
437 HA GLN 55 HA GLN 55 -21.787 32.084 6.003
438 1HB GLN 55 1HB GLN 55 -20.931 31.390 8.289
439 2HB GLN 55 2HB GLN 55 -19.296 31.561 7.651
440 1HG GLN 55 1HG GLN 55 -19.821 33.925 7.048
441 2HG GLN 55 2HG GLN 55 -21.405 33.737 7.800
442 2HE2 GLN 55 2HE2 GLN 55 -18.111 34.511 8.422
443 1HE2 GLN 55 1HE2 GLN 55 -18.191 34.491 10.118
No H/Q in entry = 443
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -27.748 17.143 14.630
2 H2 LYS 1 H2 LYS 1 -26.439 16.189 14.116
3 H3 LYS 1 H3 LYS 1 -27.881 16.199 13.224
4 HA LYS 1 HA LYS 1 -29.059 15.029 14.904
5 1HB LYS 1 1HB LYS 1 -26.257 14.024 14.326
6 2HB LYS 1 2HB LYS 1 -27.516 13.012 15.033
7 1HG LYS 1 1HG LYS 1 -28.965 13.475 13.071
8 2HG LYS 1 2HG LYS 1 -27.669 14.434 12.357
9 1HD LYS 1 1HD LYS 1 -26.192 12.405 12.467
10 2HD LYS 1 2HD LYS 1 -27.587 11.474 13.013
11 1HE LYS 1 1HE LYS 1 -28.772 11.914 10.937
12 2HE LYS 1 2HE LYS 1 -27.504 13.037 10.405
13 1HZ LYS 1 1HZ LYS 1 -26.658 10.376 11.263
14 2HZ LYS 1 2HZ LYS 1 -27.474 10.461 9.779
15 3HZ LYS 1 3HZ LYS 1 -26.049 11.355 10.014
16 H ASN 2 H ASN 2 -25.928 16.261 15.967
17 HA ASN 2 HA ASN 2 -26.349 15.298 18.737
18 1HB ASN 2 1HB ASN 2 -24.183 16.890 17.328
19 2HB ASN 2 2HB ASN 2 -24.097 16.399 19.019
20 2HD2 ASN 2 2HD2 ASN 2 -23.314 15.411 15.863
21 1HD2 ASN 2 1HD2 ASN 2 -23.069 13.760 16.176
22 H GLU 3 H GLU 3 -27.476 16.548 20.173
23 HA GLU 3 HA GLU 3 -28.406 19.205 19.558
24 1HB GLU 3 1HB GLU 3 -29.453 17.461 21.062
25 2HB GLU 3 2HB GLU 3 -28.194 17.814 22.245
26 1HG GLU 3 1HG GLU 3 -28.909 20.199 22.251
27 2HG GLU 3 2HG GLU 3 -30.213 19.789 21.136
28 H ASP 4 H ASP 4 -25.374 18.099 20.608
29 HA ASP 4 HA ASP 4 -24.719 20.482 22.226
30 1HB ASP 4 1HB ASP 4 -23.961 17.938 22.391
31 2HB ASP 4 2HB ASP 4 -22.726 18.469 21.249
32 H GLN 5 H GLN 5 -24.202 19.238 18.970
33 HA GLN 5 HA GLN 5 -23.426 20.379 17.040
34 1HB GLN 5 1HB GLN 5 -24.533 22.281 18.691
35 2HB GLN 5 2HB GLN 5 -22.893 22.894 18.488
36 1HG GLN 5 1HG GLN 5 -23.126 22.791 16.052
37 2HG GLN 5 2HG GLN 5 -24.736 22.090 16.216
38 2HE2 GLN 5 2HE2 GLN 5 -22.851 25.065 16.849
39 1HE2 GLN 5 1HE2 GLN 5 -24.198 26.097 16.914
40 H GLU 6 H GLU 6 -21.667 22.072 19.631
41 HA GLU 6 HA GLU 6 -19.104 21.773 18.334
42 1HB GLU 6 1HB GLU 6 -19.828 22.391 21.219
43 2HB GLU 6 2HB GLU 6 -18.299 22.776 20.428
44 1HG GLU 6 1HG GLU 6 -20.994 23.812 19.501
45 2HG GLU 6 2HG GLU 6 -19.894 24.719 20.539
46 H MET 7 H MET 7 -19.852 19.233 18.215
47 HA MET 7 HA MET 7 -19.697 17.400 20.258
48 1HB MET 7 1HB MET 7 -18.431 17.430 17.509
49 2HB MET 7 2HB MET 7 -18.459 15.982 18.515
50 1HG MET 7 1HG MET 7 -20.912 16.086 18.626
51 2HG MET 7 2HG MET 7 -20.904 17.563 17.664
52 1HE MET 7 1HE MET 7 -19.481 14.240 18.064
53 2HE MET 7 2HE MET 7 -20.816 13.460 17.219
54 3HE MET 7 3HE MET 7 -19.217 13.544 16.467
55 H CYS 8 H CYS 8 -17.056 19.380 19.035
56 HA CYS 8 HA CYS 8 -15.072 17.923 20.703
57 1HB CYS 8 1HB CYS 8 -14.455 18.445 18.427
58 2HB CYS 8 2HB CYS 8 -14.942 20.128 18.627
59 H HIS 9 H HIS 9 -14.781 18.639 22.777
60 HA HIS 9 HA HIS 9 -15.216 21.557 23.337
61 1HB HIS 9 1HB HIS 9 -15.686 19.110 25.074
62 2HB HIS 9 2HB HIS 9 -15.968 20.778 25.573
63 HD1 HIS 9 HD1 HIS 9 -17.635 17.961 24.015
64 HD2 HIS 9 HD2 HIS 9 -17.975 22.109 23.762
65 HE1 HIS 9 HE1 HIS 9 -19.892 18.433 22.967
66 H GLU 10 H GLU 10 -13.120 18.788 23.649
67 HA GLU 10 HA GLU 10 -11.429 19.720 25.777
68 1HB GLU 10 1HB GLU 10 -11.501 17.408 24.958
69 2HB GLU 10 2HB GLU 10 -10.914 17.931 23.378
70 1HG GLU 10 1HG GLU 10 -8.803 18.656 24.352
71 2HG GLU 10 2HG GLU 10 -9.393 18.300 25.976
72 H PHE 11 H PHE 11 -11.219 20.075 22.223
73 HA PHE 11 HA PHE 11 -8.792 21.721 22.407
74 1HB PHE 11 1HB PHE 11 -10.677 20.808 20.241
75 2HB PHE 11 2HB PHE 11 -9.378 21.942 19.898
76 HD1 PHE 11 HD1 PHE 11 -10.181 18.494 20.957
77 HD2 PHE 11 HD2 PHE 11 -7.051 21.260 19.959
78 HE1 PHE 11 HE1 PHE 11 -8.571 16.617 20.802
79 HE2 PHE 11 HE2 PHE 11 -5.441 19.382 19.804
80 HZ PHE 11 HZ PHE 11 -6.202 17.064 20.227
81 H GLN 12 H GLN 12 -12.229 22.242 22.453
82 HA GLN 12 HA GLN 12 -12.606 24.748 21.305
83 1HB GLN 12 1HB GLN 12 -14.332 23.383 22.433
84 2HB GLN 12 2HB GLN 12 -13.597 23.741 23.995
85 1HG GLN 12 1HG GLN 12 -13.979 26.177 23.563
86 2HG GLN 12 2HG GLN 12 -14.822 25.747 22.075
87 2HE2 GLN 12 2HE2 GLN 12 -16.670 26.919 23.341
88 1HE2 GLN 12 1HE2 GLN 12 -17.622 25.955 24.363
89 H ALA 13 H ALA 13 -11.117 24.005 24.449
90 HA ALA 13 HA ALA 13 -10.786 26.691 25.370
91 1HB ALA 13 1HB ALA 13 -9.004 25.591 26.775
92 2HB ALA 13 2HB ALA 13 -9.215 24.131 25.808
93 3HB ALA 13 3HB ALA 13 -10.546 24.734 26.796
94 H PHE 14 H PHE 14 -9.155 24.864 22.897
95 HA PHE 14 HA PHE 14 -6.791 26.646 22.887
96 1HB PHE 14 1HB PHE 14 -7.599 24.394 21.026
97 2HB PHE 14 2HB PHE 14 -5.984 25.056 21.250
98 HD1 PHE 14 HD1 PHE 14 -6.581 25.373 24.392
99 HD2 PHE 14 HD2 PHE 14 -6.708 22.131 21.577
100 HE1 PHE 14 HE1 PHE 14 -6.175 23.759 26.232
101 HE2 PHE 14 HE2 PHE 14 -6.302 20.518 23.414
102 HZ PHE 14 HZ PHE 14 -6.034 21.331 25.742
103 H MET 15 H MET 15 -9.759 27.354 22.024
104 HA MET 15 HA MET 15 -9.222 28.151 19.213
105 1HB MET 15 1HB MET 15 -11.592 28.360 19.088
106 2HB MET 15 2HB MET 15 -11.311 26.938 20.083
107 1HG MET 15 1HG MET 15 -11.466 28.520 22.101
108 2HG MET 15 2HG MET 15 -12.118 29.710 20.976
109 1HE MET 15 1HE MET 15 -13.635 29.264 19.339
110 2HE MET 15 2HE MET 15 -14.387 27.702 19.025
111 3HE MET 15 3HE MET 15 -15.276 28.936 19.913
112 H LYS 16 H LYS 16 -8.303 30.141 18.964
113 HA LYS 16 HA LYS 16 -8.724 32.247 21.018
114 1HB LYS 16 1HB LYS 16 -6.470 31.510 20.015
115 2HB LYS 16 2HB LYS 16 -6.990 32.316 18.536
116 1HG LYS 16 1HG LYS 16 -7.503 34.104 20.689
117 2HG LYS 16 2HG LYS 16 -5.867 33.485 20.909
118 1HD LYS 16 1HD LYS 16 -5.453 34.014 18.460
119 2HD LYS 16 2HD LYS 16 -7.004 34.857 18.459
120 1HE LYS 16 1HE LYS 16 -6.148 36.644 19.592
121 2HE LYS 16 2HE LYS 16 -5.236 35.607 20.705
122 1HZ LYS 16 1HZ LYS 16 -3.797 35.077 18.700
123 2HZ LYS 16 2HZ LYS 16 -4.525 36.409 17.938
124 3HZ LYS 16 3HZ LYS 16 -3.618 36.630 19.357
125 H ASN 17 H ASN 17 -10.953 32.763 20.423
126 HA ASN 17 HA ASN 17 -12.577 34.010 19.253
127 1HB ASN 17 1HB ASN 17 -10.063 35.126 17.971
128 2HB ASN 17 2HB ASN 17 -11.643 35.907 17.993
129 2HD2 ASN 17 2HD2 ASN 17 -8.775 36.288 19.419
130 1HD2 ASN 17 1HD2 ASN 17 -9.241 36.721 20.992
131 H GLY 18 H GLY 18 -12.311 31.479 18.249
132 1HA GLY 18 1HA GLY 18 -12.884 31.911 15.390
133 2HA GLY 18 2HA GLY 18 -13.178 30.424 16.290
134 H LYS 19 H LYS 19 -10.064 31.673 16.865
135 HA LYS 19 HA LYS 19 -8.830 30.193 14.602
136 1HB LYS 19 1HB LYS 19 -8.244 32.567 15.498
137 2HB LYS 19 2HB LYS 19 -7.417 31.706 16.796
138 1HG LYS 19 1HG LYS 19 -6.884 31.456 13.820
139 2HG LYS 19 2HG LYS 19 -5.810 32.159 15.031
140 1HD LYS 19 1HD LYS 19 -5.875 29.874 16.192
141 2HD LYS 19 2HD LYS 19 -6.618 29.260 14.716
142 1HE LYS 19 1HE LYS 19 -4.194 30.901 14.269
143 2HE LYS 19 2HE LYS 19 -3.912 29.365 15.111
144 1HZ LYS 19 1HZ LYS 19 -5.590 28.489 13.337
145 2HZ LYS 19 2HZ LYS 19 -5.085 29.850 12.454
146 3HZ LYS 19 3HZ LYS 19 -3.955 28.674 12.928
147 H LEU 20 H LEU 20 -8.599 28.015 15.008
148 HA LEU 20 HA LEU 20 -8.105 27.066 17.776
149 1HB LEU 20 1HB LEU 20 -9.716 26.140 15.904
150 2HB LEU 20 2HB LEU 20 -8.255 25.352 15.309
151 HG LEU 20 HG LEU 20 -9.429 25.087 18.093
152 1HD1 LEU 20 1HD1 LEU 20 -10.395 23.853 15.971
153 2HD1 LEU 20 2HD1 LEU 20 -8.961 22.842 16.155
154 3HD1 LEU 20 3HD1 LEU 20 -10.135 22.955 17.466
155 1HD2 LEU 20 1HD2 LEU 20 -6.848 24.143 16.851
156 2HD2 LEU 20 2HD2 LEU 20 -7.092 24.950 18.399
157 3HD2 LEU 20 3HD2 LEU 20 -7.582 23.268 18.194
158 H PHE 21 H PHE 21 -5.971 27.034 18.408
159 HA PHE 21 HA PHE 21 -3.873 26.589 16.333
160 1HB PHE 21 1HB PHE 21 -2.402 27.219 18.394
161 2HB PHE 21 2HB PHE 21 -3.371 28.481 17.637
162 HD1 PHE 21 HD1 PHE 21 -3.118 26.194 20.536
163 HD2 PHE 21 HD2 PHE 21 -5.263 29.465 18.760
164 HE1 PHE 21 HE1 PHE 21 -4.272 26.609 22.692
165 HE2 PHE 21 HE2 PHE 21 -6.416 29.879 20.916
166 HZ PHE 21 HZ PHE 21 -5.919 28.453 22.882
167 H CYS 22 H CYS 22 -4.800 24.265 16.358
168 HA CYS 22 HA CYS 22 -4.600 22.419 18.431
169 1HB CYS 22 1HB CYS 22 -5.010 22.428 15.699
170 2HB CYS 22 2HB CYS 22 -3.537 21.472 15.863
171 HA PRO 23 HA PRO 23 0.062 21.683 17.265
172 1HB PRO 23 1HB PRO 23 1.052 24.172 16.215
173 2HB PRO 23 2HB PRO 23 0.985 22.601 15.415
174 1HG PRO 23 1HG PRO 23 -0.614 24.910 14.868
175 2HG PRO 23 2HG PRO 23 -0.718 23.321 14.106
176 1HD PRO 23 1HD PRO 23 -2.556 24.534 15.982
177 2HD PRO 23 2HD PRO 23 -2.709 22.966 15.158
178 H GLN 24 H GLN 24 -0.285 21.957 19.628
179 HA GLN 24 HA GLN 24 1.033 24.441 20.677
180 1HB GLN 24 1HB GLN 24 -1.278 24.578 21.230
181 2HB GLN 24 2HB GLN 24 -1.368 22.858 21.605
182 1HG GLN 24 1HG GLN 24 0.257 23.290 23.502
183 2HG GLN 24 2HG GLN 24 0.051 25.014 23.192
184 2HE2 GLN 24 2HE2 GLN 24 -1.781 22.056 24.067
185 1HE2 GLN 24 1HE2 GLN 24 -3.045 22.879 24.845
186 H ASP 25 H ASP 25 -0.041 21.457 22.270
187 HA ASP 25 HA ASP 25 2.818 20.738 22.791
188 1HB ASP 25 1HB ASP 25 1.546 22.075 24.624
189 2HB ASP 25 2HB ASP 25 0.650 20.578 24.886
190 H LYS 26 H LYS 26 2.182 19.137 21.024
191 HA LYS 26 HA LYS 26 0.158 17.139 21.484
192 1HB LYS 26 1HB LYS 26 2.526 17.552 19.691
193 2HB LYS 26 2HB LYS 26 1.759 15.965 19.725
194 1HG LYS 26 1HG LYS 26 -0.366 16.891 19.077
195 2HG LYS 26 2HG LYS 26 0.216 18.539 19.308
196 1HD LYS 26 1HD LYS 26 0.531 18.407 17.035
197 2HD LYS 26 2HD LYS 26 2.057 17.678 17.535
198 1HE LYS 26 1HE LYS 26 1.121 15.435 17.285
199 2HE LYS 26 2HE LYS 26 -0.478 16.113 16.920
200 1HZ LYS 26 1HZ LYS 26 1.988 16.767 15.391
201 2HZ LYS 26 2HZ LYS 26 0.891 15.564 14.915
202 3HZ LYS 26 3HZ LYS 26 0.390 17.185 14.993
203 H LYS 27 H LYS 27 3.029 17.658 23.147
204 HA LYS 27 HA LYS 27 4.391 15.293 23.493
205 1HB LYS 27 1HB LYS 27 3.386 17.408 25.384
206 2HB LYS 27 2HB LYS 27 4.324 16.052 26.006
207 1HG LYS 27 1HG LYS 27 6.108 16.586 24.329
208 2HG LYS 27 2HG LYS 27 5.187 18.016 23.863
209 1HD LYS 27 1HD LYS 27 5.298 18.814 26.224
210 2HD LYS 27 2HD LYS 27 6.308 17.423 26.619
211 1HE LYS 27 1HE LYS 27 8.126 18.226 25.367
212 2HE LYS 27 2HE LYS 27 7.096 19.259 24.358
213 1HZ LYS 27 1HZ LYS 27 6.504 20.232 26.735
214 2HZ LYS 27 2HZ LYS 27 8.078 19.696 27.080
215 3HZ LYS 27 3HZ LYS 27 7.821 20.817 25.835
216 H PHE 28 H PHE 28 1.072 15.952 24.438
217 HA PHE 28 HA PHE 28 0.492 13.963 26.311
218 1HB PHE 28 1HB PHE 28 -1.158 14.731 23.884
219 2HB PHE 28 2HB PHE 28 -1.766 14.145 25.428
220 HD1 PHE 28 HD1 PHE 28 -0.402 15.564 27.468
221 HD2 PHE 28 HD2 PHE 28 -1.637 16.999 23.611
222 HE1 PHE 28 HE1 PHE 28 -0.452 17.883 28.345
223 HE2 PHE 28 HE2 PHE 28 -1.688 19.317 24.490
224 HZ PHE 28 HZ PHE 28 -1.095 19.760 26.857
225 H PHE 29 H PHE 29 1.400 13.557 22.971
226 HA PHE 29 HA PHE 29 0.287 11.069 22.281
227 1HB PHE 29 1HB PHE 29 1.624 12.546 20.822
228 2HB PHE 29 2HB PHE 29 3.066 12.181 21.767
229 HD1 PHE 29 HD1 PHE 29 3.683 9.645 22.005
230 HD2 PHE 29 HD2 PHE 29 1.088 11.222 18.966
231 HE1 PHE 29 HE1 PHE 29 4.077 7.626 20.620
232 HE2 PHE 29 HE2 PHE 29 1.483 9.204 17.582
233 HZ PHE 29 HZ PHE 29 2.977 7.405 18.408
234 H GLN 30 H GLN 30 2.623 11.778 24.742
235 HA GLN 30 HA GLN 30 3.974 9.238 24.853
236 1HB GLN 30 1HB GLN 30 3.446 11.459 26.844
237 2HB GLN 30 2HB GLN 30 4.521 10.101 27.178
238 1HG GLN 30 1HG GLN 30 5.567 10.798 24.836
239 2HG GLN 30 2HG GLN 30 4.860 12.362 25.243
240 2HE2 GLN 30 2HE2 GLN 30 6.343 13.668 26.308
241 1HE2 GLN 30 1HE2 GLN 30 7.528 13.123 27.393
242 H SER 31 H SER 31 0.737 9.967 25.469
243 HA SER 31 HA SER 31 0.446 7.452 27.051
244 1HB SER 31 1HB SER 31 -0.767 10.142 27.763
245 2HB SER 31 2HB SER 31 -0.986 8.639 28.659
246 HG SER 31 HG SER 31 1.107 10.392 28.656
247 H LEU 32 H LEU 32 -1.807 6.638 27.000
248 HA LEU 32 HA LEU 32 -3.034 6.767 24.431
249 1HB LEU 32 1HB LEU 32 -3.183 5.151 26.567
250 2HB LEU 32 2HB LEU 32 -4.633 6.111 26.861
251 HG LEU 32 HG LEU 32 -4.067 4.865 24.167
252 1HD1 LEU 32 1HD1 LEU 32 -5.383 3.678 26.613
253 2HD1 LEU 32 2HD1 LEU 32 -5.795 3.132 24.987
254 3HD1 LEU 32 3HD1 LEU 32 -4.143 2.963 25.581
255 1HD2 LEU 32 1HD2 LEU 32 -6.547 5.908 25.567
256 2HD2 LEU 32 2HD2 LEU 32 -5.738 6.628 24.175
257 3HD2 LEU 32 3HD2 LEU 32 -6.565 5.079 24.010
258 H ASP 33 H ASP 33 -4.303 8.048 27.519
259 HA ASP 33 HA ASP 33 -6.453 9.543 26.501
260 1HB ASP 33 1HB ASP 33 -5.739 9.093 28.915
261 2HB ASP 33 2HB ASP 33 -4.576 10.406 28.726
262 H GLY 34 H GLY 34 -3.012 10.344 26.705
263 1HA GLY 34 1HA GLY 34 -1.812 12.165 25.816
264 2HA GLY 34 2HA GLY 34 -3.338 13.043 25.693
265 H ILE 35 H ILE 35 -2.571 9.880 24.310
266 HA ILE 35 HA ILE 35 -1.995 10.700 21.647
267 HB ILE 35 HB ILE 35 -2.966 8.246 23.065
268 1HG1 ILE 35 1HG1 ILE 35 -0.541 8.989 22.839
269 2HG1 ILE 35 2HG1 ILE 35 -0.881 7.347 22.292
270 1HG2 ILE 35 1HG2 ILE 35 -3.128 8.723 20.094
271 2HG2 ILE 35 2HG2 ILE 35 -2.789 7.109 20.719
272 3HG2 ILE 35 3HG2 ILE 35 -4.292 7.923 21.150
273 1HD1 ILE 35 1HD1 ILE 35 -1.162 9.517 20.271
274 2HD1 ILE 35 2HD1 ILE 35 0.479 9.115 20.782
275 3HD1 ILE 35 3HD1 ILE 35 -0.555 7.872 20.078
276 H MET 36 H MET 36 -5.068 10.090 23.311
277 HA MET 36 HA MET 36 -6.851 10.080 21.128
278 1HB MET 36 1HB MET 36 -6.992 11.116 23.962
279 2HB MET 36 2HB MET 36 -8.397 11.145 22.898
280 1HG MET 36 1HG MET 36 -6.780 8.679 23.614
281 2HG MET 36 2HG MET 36 -8.367 9.087 24.266
282 1HE MET 36 1HE MET 36 -6.656 6.879 22.153
283 2HE MET 36 2HE MET 36 -7.318 6.911 20.512
284 3HE MET 36 3HE MET 36 -6.290 8.225 21.077
285 H PHE 37 H PHE 37 -5.896 12.954 23.071
286 HA PHE 37 HA PHE 37 -7.201 14.955 21.679
287 1HB PHE 37 1HB PHE 37 -5.998 16.055 23.240
288 2HB PHE 37 2HB PHE 37 -4.954 14.652 23.450
289 HD1 PHE 37 HD1 PHE 37 -2.873 14.427 22.100
290 HD2 PHE 37 HD2 PHE 37 -5.303 17.957 21.944
291 HE1 PHE 37 HE1 PHE 37 -1.010 15.657 21.040
292 HE2 PHE 37 HE2 PHE 37 -3.438 19.191 20.876
293 HZ PHE 37 HZ PHE 37 -1.294 18.032 20.424
294 H ILE 38 H ILE 38 -3.950 13.678 20.778
295 HA ILE 38 HA ILE 38 -3.541 15.164 18.436
296 HB ILE 38 HB ILE 38 -2.896 12.300 19.185
297 1HG1 ILE 38 1HG1 ILE 38 -1.418 14.939 19.281
298 2HG1 ILE 38 2HG1 ILE 38 -1.801 13.863 20.625
299 1HG2 ILE 38 1HG2 ILE 38 -2.928 12.762 16.669
300 2HG2 ILE 38 2HG2 ILE 38 -1.611 13.899 16.960
301 3HG2 ILE 38 3HG2 ILE 38 -1.396 12.187 17.327
302 1HD1 ILE 38 1HD1 ILE 38 -0.001 13.071 18.319
303 2HD1 ILE 38 2HD1 ILE 38 0.598 13.743 19.835
304 3HD1 ILE 38 3HD1 ILE 38 -0.251 12.197 19.830
305 H ASN 39 H ASN 39 -5.529 12.269 18.926
306 HA ASN 39 HA ASN 39 -6.171 11.856 16.136
307 1HB ASN 39 1HB ASN 39 -7.760 11.105 18.607
308 2HB ASN 39 2HB ASN 39 -7.757 10.276 17.050
309 2HD2 ASN 39 2HD2 ASN 39 -4.708 10.768 16.908
310 1HD2 ASN 39 1HD2 ASN 39 -4.056 9.571 17.919
311 H LYS 40 H LYS 40 -7.558 13.804 18.727
312 HA LYS 40 HA LYS 40 -9.863 14.592 17.022
313 1HB LYS 40 1HB LYS 40 -9.020 15.008 19.896
314 2HB LYS 40 2HB LYS 40 -10.407 15.849 19.206
315 1HG LYS 40 1HG LYS 40 -11.536 13.785 18.741
316 2HG LYS 40 2HG LYS 40 -10.087 12.841 19.087
317 1HD LYS 40 1HD LYS 40 -10.253 14.011 21.446
318 2HD LYS 40 2HD LYS 40 -11.942 14.231 20.993
319 1HE LYS 40 1HE LYS 40 -11.976 11.722 20.450
320 2HE LYS 40 2HE LYS 40 -10.421 11.629 21.299
321 1HZ LYS 40 1HZ LYS 40 -11.635 13.006 23.085
322 2HZ LYS 40 2HZ LYS 40 -13.060 12.452 22.343
323 3HZ LYS 40 3HZ LYS 40 -11.961 11.340 22.999
324 H CYS 41 H CYS 41 -6.712 15.661 17.875
325 HA CYS 41 HA CYS 41 -6.899 18.472 17.875
326 1HB CYS 41 1HB CYS 41 -4.854 17.282 18.362
327 2HB CYS 41 2HB CYS 41 -4.845 16.538 16.765
328 H ALA 42 H ALA 42 -5.775 16.665 15.018
329 HA ALA 42 HA ALA 42 -6.371 18.741 13.149
330 1HB ALA 42 1HB ALA 42 -6.032 15.738 12.898
331 2HB ALA 42 2HB ALA 42 -6.096 16.826 11.512
332 3HB ALA 42 3HB ALA 42 -4.788 16.969 12.686
333 H THR 43 H THR 43 -8.294 16.017 14.342
334 HA THR 43 HA THR 43 -10.430 16.211 12.420
335 HB THR 43 HB THR 43 -10.459 15.244 15.298
336 HG1 THR 43 HG1 THR 43 -9.808 13.874 12.902
337 1HG2 THR 43 1HG2 THR 43 -12.581 15.511 13.660
338 2HG2 THR 43 2HG2 THR 43 -12.006 13.932 13.127
339 3HG2 THR 43 3HG2 THR 43 -12.435 14.190 14.818
340 H CYS 44 H CYS 44 -10.330 17.270 15.849
341 HA CYS 44 HA CYS 44 -12.740 18.712 15.912
342 1HB CYS 44 1HB CYS 44 -11.326 18.197 17.854
343 2HB CYS 44 2HB CYS 44 -10.072 19.278 17.245
344 H LYS 45 H LYS 45 -9.652 19.585 14.473
345 HA LYS 45 HA LYS 45 -10.076 22.409 14.210
346 1HB LYS 45 1HB LYS 45 -7.908 21.329 13.925
347 2HB LYS 45 2HB LYS 45 -8.522 20.383 12.569
348 1HG LYS 45 1HG LYS 45 -9.132 22.817 11.643
349 2HG LYS 45 2HG LYS 45 -7.788 23.275 12.688
350 1HD LYS 45 1HD LYS 45 -6.420 21.466 11.574
351 2HD LYS 45 2HD LYS 45 -7.746 21.257 10.428
352 1HE LYS 45 1HE LYS 45 -7.524 23.577 9.683
353 2HE LYS 45 2HE LYS 45 -6.281 23.879 10.911
354 1HZ LYS 45 1HZ LYS 45 -6.046 21.661 8.962
355 2HZ LYS 45 2HZ LYS 45 -5.486 23.221 8.591
356 3HZ LYS 45 3HZ LYS 45 -4.824 22.367 9.902
357 H MET 46 H MET 46 -10.685 19.717 11.914
358 HA MET 46 HA MET 46 -11.834 21.341 9.853
359 1HB MET 46 1HB MET 46 -12.587 19.184 8.984
360 2HB MET 46 2HB MET 46 -10.968 19.004 9.651
361 1HG MET 46 1HG MET 46 -11.679 17.536 11.212
362 2HG MET 46 2HG MET 46 -13.033 18.567 11.665
363 1HE MET 46 1HE MET 46 -11.552 15.999 9.387
364 2HE MET 46 2HE MET 46 -12.855 15.427 8.338
365 3HE MET 46 3HE MET 46 -12.146 17.019 8.079
366 H ILE 47 H ILE 47 -13.108 20.107 12.852
367 HA ILE 47 HA ILE 47 -15.896 20.083 12.331
368 HB ILE 47 HB ILE 47 -14.361 20.940 14.811
369 1HG1 ILE 47 1HG1 ILE 47 -13.709 18.710 13.931
370 2HG1 ILE 47 2HG1 ILE 47 -14.554 18.585 15.473
371 1HG2 ILE 47 1HG2 ILE 47 -16.765 21.522 14.883
372 2HG2 ILE 47 2HG2 ILE 47 -17.177 19.853 14.489
373 3HG2 ILE 47 3HG2 ILE 47 -16.387 20.230 16.021
374 1HD1 ILE 47 1HD1 ILE 47 -16.458 18.566 13.299
375 2HD1 ILE 47 2HD1 ILE 47 -15.240 17.315 13.047
376 3HD1 ILE 47 3HD1 ILE 47 -16.182 17.343 14.539
377 H LEU 48 H LEU 48 -13.726 22.764 13.202
378 HA LEU 48 HA LEU 48 -15.825 24.763 13.361
379 1HB LEU 48 1HB LEU 48 -12.809 24.766 13.120
380 2HB LEU 48 2HB LEU 48 -13.734 26.265 13.204
381 HG LEU 48 HG LEU 48 -13.001 25.639 15.449
382 1HD1 LEU 48 1HD1 LEU 48 -15.512 26.369 14.779
383 2HD1 LEU 48 2HD1 LEU 48 -15.861 24.830 15.564
384 3HD1 LEU 48 3HD1 LEU 48 -15.015 26.100 16.449
385 1HD2 LEU 48 1HD2 LEU 48 -12.881 23.152 14.835
386 2HD2 LEU 48 2HD2 LEU 48 -13.497 23.529 16.444
387 3HD2 LEU 48 3HD2 LEU 48 -14.616 23.100 15.149
388 H GLU 49 H GLU 49 -13.520 23.726 10.849
389 HA GLU 49 HA GLU 49 -14.157 25.747 8.916
390 1HB GLU 49 1HB GLU 49 -13.158 22.889 8.678
391 2HB GLU 49 2HB GLU 49 -13.120 24.064 7.363
392 1HG GLU 49 1HG GLU 49 -11.766 25.577 8.851
393 2HG GLU 49 2HG GLU 49 -11.688 24.266 10.028
394 H LYS 50 H LYS 50 -15.807 22.847 9.930
395 HA LYS 50 HA LYS 50 -17.439 22.516 7.542
396 1HB LYS 50 1HB LYS 50 -17.532 21.530 10.404
397 2HB LYS 50 2HB LYS 50 -18.726 21.042 9.200
398 1HG LYS 50 1HG LYS 50 -15.756 20.762 8.711
399 2HG LYS 50 2HG LYS 50 -16.696 19.494 9.497
400 1HD LYS 50 1HD LYS 50 -18.259 19.541 7.514
401 2HD LYS 50 2HD LYS 50 -17.123 20.634 6.722
402 1HE LYS 50 1HE LYS 50 -15.327 18.874 7.077
403 2HE LYS 50 2HE LYS 50 -16.615 17.773 7.604
404 1HZ LYS 50 1HZ LYS 50 -17.797 18.422 5.496
405 2HZ LYS 50 2HZ LYS 50 -16.355 19.156 4.987
406 3HZ LYS 50 3HZ LYS 50 -16.399 17.482 5.274
407 H GLU 51 H GLU 51 -17.907 24.038 10.735
408 HA GLU 51 HA GLU 51 -20.653 24.724 10.478
409 1HB GLU 51 1HB GLU 51 -18.357 26.162 11.852
410 2HB GLU 51 2HB GLU 51 -20.067 26.403 12.212
411 1HG GLU 51 1HG GLU 51 -20.293 24.090 12.928
412 2HG GLU 51 2HG GLU 51 -18.639 23.735 12.427
413 H ALA 52 H ALA 52 -17.779 26.155 9.063
414 HA ALA 52 HA ALA 52 -19.072 28.665 8.297
415 1HB ALA 52 1HB ALA 52 -16.488 27.625 8.539
416 2HB ALA 52 2HB ALA 52 -16.696 27.862 6.804
417 3HB ALA 52 3HB ALA 52 -16.909 29.218 7.911
418 H LYS 53 H LYS 53 -20.292 28.970 6.466
419 HA LYS 53 HA LYS 53 -21.331 28.511 4.393
420 1HB LYS 53 1HB LYS 53 -18.704 27.035 4.024
421 2HB LYS 53 2HB LYS 53 -19.783 27.545 2.726
422 1HG LYS 53 1HG LYS 53 -19.509 29.910 3.485
423 2HG LYS 53 2HG LYS 53 -18.340 29.358 4.684
424 1HD LYS 53 1HD LYS 53 -16.921 28.445 2.883
425 2HD LYS 53 2HD LYS 53 -18.091 28.991 1.682
426 1HE LYS 53 1HE LYS 53 -17.704 31.319 2.283
427 2HE LYS 53 2HE LYS 53 -16.663 30.834 3.635
428 1HZ LYS 53 1HZ LYS 53 -15.413 29.513 1.832
429 2HZ LYS 53 2HZ LYS 53 -16.190 30.548 0.731
430 3HZ LYS 53 3HZ LYS 53 -15.156 31.188 1.916
431 H SER 54 H SER 54 -21.985 26.749 6.579
432 HA SER 54 HA SER 54 -21.810 23.970 5.908
433 1HB SER 54 1HB SER 54 -22.412 25.049 8.112
434 2HB SER 54 2HB SER 54 -23.991 25.433 7.427
435 HG SER 54 HG SER 54 -24.453 23.301 7.259
436 H GLN 55 H GLN 55 -23.710 26.532 4.578
437 HA GLN 55 HA GLN 55 -25.776 24.705 3.488
438 1HB GLN 55 1HB GLN 55 -25.259 27.687 3.476
439 2HB GLN 55 2HB GLN 55 -26.571 26.962 2.547
440 1HG GLN 55 1HG GLN 55 -27.508 25.985 4.596
441 2HG GLN 55 2HG GLN 55 -26.173 26.648 5.538
442 2HE2 GLN 55 2HE2 GLN 55 -27.698 27.983 6.799
443 1HE2 GLN 55 1HE2 GLN 55 -28.407 29.366 6.117
No H/Q in entry = 443
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -20.922 10.450 20.740
2 H2 LYS 1 H2 LYS 1 -22.579 10.482 20.366
3 H3 LYS 1 H3 LYS 1 -21.975 9.333 21.461
4 HA LYS 1 HA LYS 1 -21.086 8.008 19.830
5 1HB LYS 1 1HB LYS 1 -23.427 9.556 18.681
6 2HB LYS 1 2HB LYS 1 -22.828 8.046 17.995
7 1HG LYS 1 1HG LYS 1 -23.193 6.954 20.220
8 2HG LYS 1 2HG LYS 1 -23.922 8.453 20.794
9 1HD LYS 1 1HD LYS 1 -25.636 8.309 19.036
10 2HD LYS 1 2HD LYS 1 -24.894 6.831 18.421
11 1HE LYS 1 1HE LYS 1 -25.371 5.671 20.527
12 2HE LYS 1 2HE LYS 1 -26.028 7.166 21.223
13 1HZ LYS 1 1HZ LYS 1 -27.402 7.126 18.997
14 2HZ LYS 1 2HZ LYS 1 -27.124 5.454 19.105
15 3HZ LYS 1 3HZ LYS 1 -27.931 6.260 20.360
16 H ASN 2 H ASN 2 -22.160 10.651 17.702
17 HA ASN 2 HA ASN 2 -19.598 10.459 16.220
18 1HB ASN 2 1HB ASN 2 -22.150 12.023 15.715
19 2HB ASN 2 2HB ASN 2 -20.847 11.769 14.556
20 2HD2 ASN 2 2HD2 ASN 2 -20.286 9.023 15.013
21 1HD2 ASN 2 1HD2 ASN 2 -21.644 8.103 14.576
22 H GLU 3 H GLU 3 -18.021 12.018 16.390
23 HA GLU 3 HA GLU 3 -18.051 14.031 18.405
24 1HB GLU 3 1HB GLU 3 -16.449 13.762 15.839
25 2HB GLU 3 2HB GLU 3 -16.010 14.798 17.196
26 1HG GLU 3 1HG GLU 3 -15.829 12.858 18.669
27 2HG GLU 3 2HG GLU 3 -16.387 11.794 17.378
28 H ASP 4 H ASP 4 -19.189 14.053 15.088
29 HA ASP 4 HA ASP 4 -19.248 16.888 14.648
30 1HB ASP 4 1HB ASP 4 -20.781 14.503 13.597
31 2HB ASP 4 2HB ASP 4 -21.056 16.131 12.977
32 H GLN 5 H GLN 5 -21.166 14.820 16.641
33 HA GLN 5 HA GLN 5 -23.513 16.598 16.704
34 1HB GLN 5 1HB GLN 5 -22.631 14.063 18.095
35 2HB GLN 5 2HB GLN 5 -24.118 14.895 18.549
36 1HG GLN 5 1HG GLN 5 -23.418 13.780 15.817
37 2HG GLN 5 2HG GLN 5 -24.672 13.193 16.910
38 2HE2 GLN 5 2HE2 GLN 5 -25.209 14.143 14.207
39 1HE2 GLN 5 1HE2 GLN 5 -26.174 15.533 14.341
40 H GLU 6 H GLU 6 -20.905 15.606 18.908
41 HA GLU 6 HA GLU 6 -21.662 17.692 20.868
42 1HB GLU 6 1HB GLU 6 -19.573 15.501 20.713
43 2HB GLU 6 2HB GLU 6 -19.676 16.622 22.071
44 1HG GLU 6 1HG GLU 6 -20.975 14.788 22.786
45 2HG GLU 6 2HG GLU 6 -22.179 15.920 22.169
46 H MET 7 H MET 7 -19.720 17.398 18.097
47 HA MET 7 HA MET 7 -18.119 18.823 17.130
48 1HB MET 7 1HB MET 7 -19.136 20.662 19.322
49 2HB MET 7 2HB MET 7 -18.323 21.163 17.840
50 1HG MET 7 1HG MET 7 -20.208 19.936 16.592
51 2HG MET 7 2HG MET 7 -21.057 19.910 18.137
52 1HE MET 7 1HE MET 7 -21.438 21.537 19.525
53 2HE MET 7 2HE MET 7 -21.251 23.280 19.349
54 3HE MET 7 3HE MET 7 -22.712 22.479 18.755
55 H CYS 8 H CYS 8 -16.750 20.919 18.854
56 HA CYS 8 HA CYS 8 -14.735 19.078 20.056
57 1HB CYS 8 1HB CYS 8 -14.756 21.944 19.086
58 2HB CYS 8 2HB CYS 8 -13.390 21.269 19.974
59 H HIS 9 H HIS 9 -14.966 18.788 22.242
60 HA HIS 9 HA HIS 9 -16.093 21.033 23.871
61 1HB HIS 9 1HB HIS 9 -16.638 19.240 25.463
62 2HB HIS 9 2HB HIS 9 -17.242 18.820 23.861
63 HD1 HIS 9 HD1 HIS 9 -14.199 18.157 26.060
64 HD2 HIS 9 HD2 HIS 9 -16.294 16.395 22.915
65 HE1 HIS 9 HE1 HIS 9 -13.149 15.883 25.685
66 H GLU 10 H GLU 10 -13.272 19.026 23.366
67 HA GLU 10 HA GLU 10 -11.990 20.000 25.866
68 1HB GLU 10 1HB GLU 10 -11.953 17.594 25.035
69 2HB GLU 10 2HB GLU 10 -10.926 18.149 23.714
70 1HG GLU 10 1HG GLU 10 -9.343 19.085 25.434
71 2HG GLU 10 2HG GLU 10 -10.329 18.322 26.682
72 H PHE 11 H PHE 11 -11.517 20.079 22.324
73 HA PHE 11 HA PHE 11 -9.173 21.817 22.494
74 1HB PHE 11 1HB PHE 11 -11.012 20.824 20.316
75 2HB PHE 11 2HB PHE 11 -9.679 21.921 19.973
76 HD1 PHE 11 HD1 PHE 11 -10.460 18.620 21.562
77 HD2 PHE 11 HD2 PHE 11 -7.491 21.102 19.694
78 HE1 PHE 11 HE1 PHE 11 -8.885 16.707 21.521
79 HE2 PHE 11 HE2 PHE 11 -5.916 19.186 19.654
80 HZ PHE 11 HZ PHE 11 -6.615 16.990 20.568
81 H GLN 12 H GLN 12 -12.616 22.282 22.475
82 HA GLN 12 HA GLN 12 -13.014 24.732 21.216
83 1HB GLN 12 1HB GLN 12 -14.595 23.183 22.563
84 2HB GLN 12 2HB GLN 12 -14.091 24.120 23.971
85 1HG GLN 12 1HG GLN 12 -14.664 26.176 22.403
86 2HG GLN 12 2HG GLN 12 -15.676 24.991 21.579
87 2HE2 GLN 12 2HE2 GLN 12 -17.466 26.496 22.484
88 1HE2 GLN 12 1HE2 GLN 12 -18.025 26.177 24.055
89 H ALA 13 H ALA 13 -11.597 24.149 24.427
90 HA ALA 13 HA ALA 13 -11.340 26.893 25.215
91 1HB ALA 13 1HB ALA 13 -9.230 25.059 26.106
92 2HB ALA 13 2HB ALA 13 -10.472 25.876 27.055
93 3HB ALA 13 3HB ALA 13 -10.842 24.356 26.239
94 H PHE 14 H PHE 14 -9.673 24.995 22.862
95 HA PHE 14 HA PHE 14 -7.218 26.618 22.889
96 1HB PHE 14 1HB PHE 14 -8.301 24.470 21.038
97 2HB PHE 14 2HB PHE 14 -6.658 25.105 20.997
98 HD1 PHE 14 HD1 PHE 14 -6.995 25.391 24.272
99 HD2 PHE 14 HD2 PHE 14 -7.114 22.222 21.373
100 HE1 PHE 14 HE1 PHE 14 -6.329 23.767 26.022
101 HE2 PHE 14 HE2 PHE 14 -6.448 20.597 23.124
102 HZ PHE 14 HZ PHE 14 -6.055 21.369 25.448
103 H MET 15 H MET 15 -10.166 27.532 22.073
104 HA MET 15 HA MET 15 -9.690 28.470 19.318
105 1HB MET 15 1HB MET 15 -11.940 28.830 21.322
106 2HB MET 15 2HB MET 15 -12.007 29.333 19.634
107 1HG MET 15 1HG MET 15 -11.664 27.024 18.905
108 2HG MET 15 2HG MET 15 -11.505 26.501 20.578
109 1HE MET 15 1HE MET 15 -13.596 27.289 17.658
110 2HE MET 15 2HE MET 15 -15.229 27.634 18.222
111 3HE MET 15 3HE MET 15 -13.953 28.827 18.455
112 H LYS 16 H LYS 16 -8.167 30.115 19.328
113 HA LYS 16 HA LYS 16 -8.408 32.306 21.333
114 1HB LYS 16 1HB LYS 16 -6.218 31.289 20.978
115 2HB LYS 16 2HB LYS 16 -6.335 31.572 19.241
116 1HG LYS 16 1HG LYS 16 -6.419 34.015 19.659
117 2HG LYS 16 2HG LYS 16 -6.258 33.713 21.390
118 1HD LYS 16 1HD LYS 16 -4.242 32.925 19.262
119 2HD LYS 16 2HD LYS 16 -4.070 34.265 20.395
120 1HE LYS 16 1HE LYS 16 -4.144 32.670 22.292
121 2HE LYS 16 2HE LYS 16 -4.300 31.326 21.145
122 1HZ LYS 16 1HZ LYS 16 -2.243 32.137 20.066
123 2HZ LYS 16 2HZ LYS 16 -2.068 33.289 21.302
124 3HZ LYS 16 3HZ LYS 16 -1.983 31.636 21.667
125 H ASN 17 H ASN 17 -10.029 33.705 20.614
126 HA ASN 17 HA ASN 17 -11.068 35.320 19.232
127 1HB ASN 17 1HB ASN 17 -8.603 36.003 19.297
128 2HB ASN 17 2HB ASN 17 -8.441 35.212 17.730
129 2HD2 ASN 17 2HD2 ASN 17 -8.771 38.221 18.944
130 1HD2 ASN 17 1HD2 ASN 17 -9.718 38.945 17.735
131 H GLY 18 H GLY 18 -11.946 32.850 18.579
132 1HA GLY 18 1HA GLY 18 -12.618 33.053 15.798
133 2HA GLY 18 2HA GLY 18 -12.945 31.655 16.823
134 H LYS 19 H LYS 19 -9.986 31.538 17.498
135 HA LYS 19 HA LYS 19 -9.103 30.232 14.945
136 1HB LYS 19 1HB LYS 19 -8.065 32.491 15.564
137 2HB LYS 19 2HB LYS 19 -7.334 31.666 16.940
138 1HG LYS 19 1HG LYS 19 -7.028 30.457 14.215
139 2HG LYS 19 2HG LYS 19 -6.035 31.853 14.635
140 1HD LYS 19 1HD LYS 19 -5.206 30.684 16.631
141 2HD LYS 19 2HD LYS 19 -6.233 29.298 16.261
142 1HE LYS 19 1HE LYS 19 -4.034 28.763 15.418
143 2HE LYS 19 2HE LYS 19 -5.013 29.185 14.001
144 1HZ LYS 19 1HZ LYS 19 -3.531 31.250 15.516
145 2HZ LYS 19 2HZ LYS 19 -2.761 30.358 14.296
146 3HZ LYS 19 3HZ LYS 19 -4.111 31.318 13.920
147 H LEU 20 H LEU 20 -9.223 28.061 15.461
148 HA LEU 20 HA LEU 20 -8.663 27.092 18.180
149 1HB LEU 20 1HB LEU 20 -10.380 26.274 16.396
150 2HB LEU 20 2HB LEU 20 -9.003 25.441 15.676
151 HG LEU 20 HG LEU 20 -10.074 25.092 18.490
152 1HD1 LEU 20 1HD1 LEU 20 -10.812 23.889 16.101
153 2HD1 LEU 20 2HD1 LEU 20 -9.655 22.748 16.785
154 3HD1 LEU 20 3HD1 LEU 20 -11.081 23.220 17.710
155 1HD2 LEU 20 1HD2 LEU 20 -7.544 24.104 17.163
156 2HD2 LEU 20 2HD2 LEU 20 -7.704 24.961 18.696
157 3HD2 LEU 20 3HD2 LEU 20 -8.249 23.290 18.560
158 H PHE 21 H PHE 21 -6.463 27.177 18.702
159 HA PHE 21 HA PHE 21 -4.472 26.419 16.642
160 1HB PHE 21 1HB PHE 21 -2.872 27.074 18.517
161 2HB PHE 21 2HB PHE 21 -3.931 28.358 17.941
162 HD1 PHE 21 HD1 PHE 21 -3.225 26.032 20.720
163 HD2 PHE 21 HD2 PHE 21 -5.736 29.229 19.325
164 HE1 PHE 21 HE1 PHE 21 -4.071 26.373 23.023
165 HE2 PHE 21 HE2 PHE 21 -6.582 29.567 21.630
166 HZ PHE 21 HZ PHE 21 -5.749 28.140 23.480
167 H CYS 22 H CYS 22 -5.489 24.171 16.694
168 HA CYS 22 HA CYS 22 -5.439 22.365 18.817
169 1HB CYS 22 1HB CYS 22 -5.926 22.300 16.143
170 2HB CYS 22 2HB CYS 22 -4.421 21.385 16.213
171 HA PRO 23 HA PRO 23 -0.817 21.330 17.729
172 1HB PRO 23 1HB PRO 23 0.347 23.751 16.694
173 2HB PRO 23 2HB PRO 23 0.202 22.182 15.899
174 1HG PRO 23 1HG PRO 23 -1.237 24.581 15.304
175 2HG PRO 23 2HG PRO 23 -1.428 22.996 14.552
176 1HD PRO 23 1HD PRO 23 -3.217 24.342 16.387
177 2HD PRO 23 2HD PRO 23 -3.459 22.787 15.562
178 H GLN 24 H GLN 24 -1.465 21.803 20.101
179 HA GLN 24 HA GLN 24 -0.169 24.259 21.188
180 1HB GLN 24 1HB GLN 24 -2.367 23.986 22.003
181 2HB GLN 24 2HB GLN 24 -2.195 22.236 22.131
182 1HG GLN 24 1HG GLN 24 -0.692 22.467 24.024
183 2HG GLN 24 2HG GLN 24 -0.662 24.220 23.838
184 2HE2 GLN 24 2HE2 GLN 24 -3.138 21.607 24.211
185 1HE2 GLN 24 1HE2 GLN 24 -4.121 22.495 25.271
186 H ASP 25 H ASP 25 -0.337 20.758 21.856
187 HA ASP 25 HA ASP 25 2.552 20.582 22.273
188 1HB ASP 25 1HB ASP 25 1.744 21.676 24.349
189 2HB ASP 25 2HB ASP 25 0.630 20.334 24.613
190 H LYS 26 H LYS 26 1.458 19.073 20.478
191 HA LYS 26 HA LYS 26 -0.040 16.773 21.111
192 1HB LYS 26 1HB LYS 26 2.127 17.378 19.091
193 2HB LYS 26 2HB LYS 26 1.221 15.864 19.070
194 1HG LYS 26 1HG LYS 26 -0.891 17.119 18.882
195 2HG LYS 26 2HG LYS 26 -0.001 18.640 18.937
196 1HD LYS 26 1HD LYS 26 1.272 17.851 16.890
197 2HD LYS 26 2HD LYS 26 0.135 16.507 16.789
198 1HE LYS 26 1HE LYS 26 -1.748 18.124 16.633
199 2HE LYS 26 2HE LYS 26 -0.584 19.462 16.691
200 1HZ LYS 26 1HZ LYS 26 0.551 18.006 14.828
201 2HZ LYS 26 2HZ LYS 26 -1.043 17.475 14.583
202 3HZ LYS 26 3HZ LYS 26 -0.664 19.125 14.444
203 H LYS 27 H LYS 27 3.186 17.551 22.066
204 HA LYS 27 HA LYS 27 4.634 15.220 22.196
205 1HB LYS 27 1HB LYS 27 4.100 17.271 24.367
206 2HB LYS 27 2HB LYS 27 5.442 16.129 24.396
207 1HG LYS 27 1HG LYS 27 6.163 17.044 22.159
208 2HG LYS 27 2HG LYS 27 4.926 18.288 22.333
209 1HD LYS 27 1HD LYS 27 5.974 19.100 24.382
210 2HD LYS 27 2HD LYS 27 7.156 17.793 24.330
211 1HE LYS 27 1HE LYS 27 7.991 18.673 22.144
212 2HE LYS 27 2HE LYS 27 6.858 20.029 22.292
213 1HZ LYS 27 1HZ LYS 27 7.856 20.377 24.568
214 2HZ LYS 27 2HZ LYS 27 9.090 19.301 24.111
215 3HZ LYS 27 3HZ LYS 27 8.870 20.759 23.265
216 H PHE 28 H PHE 28 1.643 15.898 23.916
217 HA PHE 28 HA PHE 28 1.696 13.986 25.981
218 1HB PHE 28 1HB PHE 28 -0.635 14.686 24.170
219 2HB PHE 28 2HB PHE 28 -0.722 14.168 25.853
220 HD1 PHE 28 HD1 PHE 28 1.432 15.696 27.121
221 HD2 PHE 28 HD2 PHE 28 -1.396 16.913 24.126
222 HE1 PHE 28 HE1 PHE 28 1.666 18.053 27.857
223 HE2 PHE 28 HE2 PHE 28 -1.164 19.269 24.863
224 HZ PHE 28 HZ PHE 28 0.367 19.840 26.728
225 H PHE 29 H PHE 29 1.639 13.489 22.554
226 HA PHE 29 HA PHE 29 0.323 11.120 22.063
227 1HB PHE 29 1HB PHE 29 1.754 12.478 20.513
228 2HB PHE 29 2HB PHE 29 3.179 11.766 21.267
229 HD1 PHE 29 HD1 PHE 29 3.298 9.162 21.320
230 HD2 PHE 29 HD2 PHE 29 0.713 11.392 18.713
231 HE1 PHE 29 HE1 PHE 29 3.103 7.192 19.828
232 HE2 PHE 29 HE2 PHE 29 0.519 9.421 17.220
233 HZ PHE 29 HZ PHE 29 1.714 7.321 17.777
234 H GLN 30 H GLN 30 3.153 11.540 24.095
235 HA GLN 30 HA GLN 30 4.015 8.802 24.208
236 1HB GLN 30 1HB GLN 30 5.298 9.607 26.109
237 2HB GLN 30 2HB GLN 30 5.261 10.885 24.891
238 1HG GLN 30 1HG GLN 30 3.306 11.895 26.099
239 2HG GLN 30 2HG GLN 30 3.518 10.685 27.366
240 2HE2 GLN 30 2HE2 GLN 30 4.230 13.838 26.741
241 1HE2 GLN 30 1HE2 GLN 30 5.682 13.994 27.605
242 H SER 31 H SER 31 1.134 10.197 25.307
243 HA SER 31 HA SER 31 0.743 7.939 27.242
244 1HB SER 31 1HB SER 31 -0.121 10.840 27.488
245 2HB SER 31 2HB SER 31 -0.501 9.567 28.649
246 HG SER 31 HG SER 31 1.323 10.126 29.508
247 H LEU 32 H LEU 32 -1.461 7.163 27.348
248 HA LEU 32 HA LEU 32 -2.903 6.998 24.938
249 1HB LEU 32 1HB LEU 32 -3.035 5.723 27.220
250 2HB LEU 32 2HB LEU 32 -4.235 6.949 27.636
251 HG LEU 32 HG LEU 32 -4.444 5.482 25.021
252 1HD1 LEU 32 1HD1 LEU 32 -4.690 4.327 27.694
253 2HD1 LEU 32 2HD1 LEU 32 -6.184 4.189 26.767
254 3HD1 LEU 32 3HD1 LEU 32 -4.683 3.522 26.125
255 1HD2 LEU 32 1HD2 LEU 32 -6.277 6.964 26.901
256 2HD2 LEU 32 2HD2 LEU 32 -5.983 7.260 25.187
257 3HD2 LEU 32 3HD2 LEU 32 -6.927 5.857 25.691
258 H ASP 33 H ASP 33 -3.440 9.200 27.691
259 HA ASP 33 HA ASP 33 -5.721 10.561 26.690
260 1HB ASP 33 1HB ASP 33 -3.376 11.420 28.415
261 2HB ASP 33 2HB ASP 33 -4.821 12.407 28.195
262 H GLY 34 H GLY 34 -2.254 11.100 26.136
263 1HA GLY 34 1HA GLY 34 -1.158 12.488 24.581
264 2HA GLY 34 2HA GLY 34 -2.629 13.456 24.500
265 H ILE 35 H ILE 35 -2.035 10.021 23.785
266 HA ILE 35 HA ILE 35 -2.103 10.166 20.958
267 HB ILE 35 HB ILE 35 -2.830 8.104 23.037
268 1HG1 ILE 35 1HG1 ILE 35 -0.464 8.560 22.701
269 2HG1 ILE 35 2HG1 ILE 35 -0.836 6.980 22.009
270 1HG2 ILE 35 1HG2 ILE 35 -2.955 7.754 20.025
271 2HG2 ILE 35 2HG2 ILE 35 -3.058 6.446 21.203
272 3HG2 ILE 35 3HG2 ILE 35 -4.323 7.672 21.134
273 1HD1 ILE 35 1HD1 ILE 35 -1.320 8.546 19.855
274 2HD1 ILE 35 2HD1 ILE 35 -0.079 9.514 20.653
275 3HD1 ILE 35 3HD1 ILE 35 0.264 7.846 20.193
276 H MET 36 H MET 36 -4.710 10.118 23.345
277 HA MET 36 HA MET 36 -6.864 9.776 21.428
278 1HB MET 36 1HB MET 36 -6.472 10.402 24.303
279 2HB MET 36 2HB MET 36 -7.986 10.963 23.594
280 1HG MET 36 1HG MET 36 -8.224 8.591 22.631
281 2HG MET 36 2HG MET 36 -6.928 8.134 23.736
282 1HE MET 36 1HE MET 36 -10.162 8.203 22.926
283 2HE MET 36 2HE MET 36 -11.139 7.952 24.378
284 3HE MET 36 3HE MET 36 -10.851 9.583 23.779
285 H PHE 37 H PHE 37 -6.038 12.651 23.426
286 HA PHE 37 HA PHE 37 -7.590 14.524 22.036
287 1HB PHE 37 1HB PHE 37 -6.657 15.756 23.685
288 2HB PHE 37 2HB PHE 37 -5.527 14.444 24.011
289 HD1 PHE 37 HD1 PHE 37 -3.299 14.406 22.906
290 HD2 PHE 37 HD2 PHE 37 -5.987 17.724 22.482
291 HE1 PHE 37 HE1 PHE 37 -1.437 15.807 22.062
292 HE2 PHE 37 HE2 PHE 37 -4.126 19.124 21.631
293 HZ PHE 37 HZ PHE 37 -1.853 18.156 21.421
294 H ILE 38 H ILE 38 -4.173 13.624 21.360
295 HA ILE 38 HA ILE 38 -3.736 15.262 19.105
296 HB ILE 38 HB ILE 38 -2.827 12.464 19.837
297 1HG1 ILE 38 1HG1 ILE 38 -1.672 15.243 20.125
298 2HG1 ILE 38 2HG1 ILE 38 -2.009 14.070 21.395
299 1HG2 ILE 38 1HG2 ILE 38 -2.648 13.682 17.300
300 2HG2 ILE 38 2HG2 ILE 38 -1.057 13.877 18.031
301 3HG2 ILE 38 3HG2 ILE 38 -1.758 12.268 17.862
302 1HD1 ILE 38 1HD1 ILE 38 -0.299 12.675 19.736
303 2HD1 ILE 38 2HD1 ILE 38 0.346 14.314 19.662
304 3HD1 ILE 38 3HD1 ILE 38 0.176 13.503 21.219
305 H ASN 39 H ASN 39 -5.444 12.171 19.390
306 HA ASN 39 HA ASN 39 -5.800 11.766 16.538
307 1HB ASN 39 1HB ASN 39 -7.057 10.700 19.071
308 2HB ASN 39 2HB ASN 39 -7.594 10.165 17.480
309 2HD2 ASN 39 2HD2 ASN 39 -6.288 8.423 19.410
310 1HD2 ASN 39 1HD2 ASN 39 -4.808 7.935 18.737
311 H LYS 40 H LYS 40 -7.753 13.218 19.114
312 HA LYS 40 HA LYS 40 -10.007 13.791 17.318
313 1HB LYS 40 1HB LYS 40 -9.905 13.282 19.894
314 2HB LYS 40 2HB LYS 40 -9.540 15.002 20.036
315 1HG LYS 40 1HG LYS 40 -11.604 15.394 18.556
316 2HG LYS 40 2HG LYS 40 -12.015 13.709 18.877
317 1HD LYS 40 1HD LYS 40 -12.289 14.091 21.187
318 2HD LYS 40 2HD LYS 40 -11.375 15.599 21.138
319 1HE LYS 40 1HE LYS 40 -13.168 16.806 20.234
320 2HE LYS 40 2HE LYS 40 -13.922 15.355 19.544
321 1HZ LYS 40 1HZ LYS 40 -14.174 14.554 21.889
322 2HZ LYS 40 2HZ LYS 40 -13.707 16.097 22.415
323 3HZ LYS 40 3HZ LYS 40 -15.130 15.906 21.506
324 H CYS 41 H CYS 41 -7.090 15.360 18.377
325 HA CYS 41 HA CYS 41 -7.697 18.100 18.095
326 1HB CYS 41 1HB CYS 41 -5.581 17.355 18.935
327 2HB CYS 41 2HB CYS 41 -5.264 16.406 17.487
328 H ALA 42 H ALA 42 -5.931 16.297 15.587
329 HA ALA 42 HA ALA 42 -6.413 18.040 13.440
330 1HB ALA 42 1HB ALA 42 -5.916 15.090 13.744
331 2HB ALA 42 2HB ALA 42 -6.207 15.754 12.137
332 3HB ALA 42 3HB ALA 42 -4.846 16.333 13.096
333 H THR 43 H THR 43 -8.514 15.569 14.814
334 HA THR 43 HA THR 43 -10.485 15.684 12.656
335 HB THR 43 HB THR 43 -10.548 14.553 15.474
336 HG1 THR 43 HG1 THR 43 -9.601 13.670 13.011
337 1HG2 THR 43 1HG2 THR 43 -12.318 14.009 13.074
338 2HG2 THR 43 2HG2 THR 43 -12.403 13.167 14.622
339 3HG2 THR 43 3HG2 THR 43 -12.799 14.884 14.528
340 H CYS 44 H CYS 44 -9.850 17.401 15.622
341 HA CYS 44 HA CYS 44 -12.569 18.473 15.904
342 1HB CYS 44 1HB CYS 44 -11.213 18.149 17.870
343 2HB CYS 44 2HB CYS 44 -9.868 19.041 17.158
344 H LYS 45 H LYS 45 -9.395 19.645 14.771
345 HA LYS 45 HA LYS 45 -10.036 22.338 14.230
346 1HB LYS 45 1HB LYS 45 -7.787 21.483 14.087
347 2HB LYS 45 2HB LYS 45 -8.251 20.307 12.859
348 1HG LYS 45 1HG LYS 45 -9.037 22.617 11.649
349 2HG LYS 45 2HG LYS 45 -7.657 23.196 12.580
350 1HD LYS 45 1HD LYS 45 -7.560 20.745 10.802
351 2HD LYS 45 2HD LYS 45 -7.082 22.356 10.264
352 1HE LYS 45 1HE LYS 45 -5.407 22.451 12.114
353 2HE LYS 45 2HE LYS 45 -5.850 20.792 12.564
354 1HZ LYS 45 1HZ LYS 45 -5.171 21.466 9.769
355 2HZ LYS 45 2HZ LYS 45 -3.935 21.148 10.886
356 3HZ LYS 45 3HZ LYS 45 -5.101 19.958 10.549
357 H MET 46 H MET 46 -10.576 19.425 12.241
358 HA MET 46 HA MET 46 -11.572 20.783 9.916
359 1HB MET 46 1HB MET 46 -12.338 18.551 9.315
360 2HB MET 46 2HB MET 46 -10.781 18.403 10.128
361 1HG MET 46 1HG MET 46 -11.733 17.033 11.635
362 2HG MET 46 2HG MET 46 -12.768 18.360 12.152
363 1HE MET 46 1HE MET 46 -13.649 15.914 12.756
364 2HE MET 46 2HE MET 46 -15.000 15.219 11.863
365 3HE MET 46 3HE MET 46 -13.341 14.760 11.461
366 H ILE 47 H ILE 47 -12.995 20.006 13.001
367 HA ILE 47 HA ILE 47 -15.770 20.039 12.329
368 HB ILE 47 HB ILE 47 -14.365 21.034 14.833
369 1HG1 ILE 47 1HG1 ILE 47 -13.524 18.833 14.339
370 2HG1 ILE 47 2HG1 ILE 47 -14.747 18.643 15.594
371 1HG2 ILE 47 1HG2 ILE 47 -17.155 19.999 14.266
372 2HG2 ILE 47 2HG2 ILE 47 -16.493 20.138 15.895
373 3HG2 ILE 47 3HG2 ILE 47 -16.705 21.581 14.903
374 1HD1 ILE 47 1HD1 ILE 47 -15.227 18.269 12.621
375 2HD1 ILE 47 2HD1 ILE 47 -15.011 16.961 13.785
376 3HD1 ILE 47 3HD1 ILE 47 -16.414 18.022 13.902
377 H LEU 48 H LEU 48 -13.467 22.646 13.039
378 HA LEU 48 HA LEU 48 -15.428 24.781 13.048
379 1HB LEU 48 1HB LEU 48 -12.425 24.562 12.755
380 2HB LEU 48 2HB LEU 48 -13.246 26.122 12.708
381 HG LEU 48 HG LEU 48 -12.506 25.665 14.989
382 1HD1 LEU 48 1HD1 LEU 48 -15.033 26.420 14.255
383 2HD1 LEU 48 2HD1 LEU 48 -15.377 25.065 15.330
384 3HD1 LEU 48 3HD1 LEU 48 -14.438 26.437 15.915
385 1HD2 LEU 48 1HD2 LEU 48 -12.570 23.127 14.611
386 2HD2 LEU 48 2HD2 LEU 48 -13.108 23.700 16.190
387 3HD2 LEU 48 3HD2 LEU 48 -14.293 23.228 14.972
388 H GLU 49 H GLU 49 -13.275 23.363 10.595
389 HA GLU 49 HA GLU 49 -13.742 25.243 8.499
390 1HB GLU 49 1HB GLU 49 -13.187 22.257 8.447
391 2HB GLU 49 2HB GLU 49 -12.964 23.350 7.081
392 1HG GLU 49 1HG GLU 49 -11.344 24.667 8.427
393 2HG GLU 49 2HG GLU 49 -11.541 23.525 9.755
394 H LYS 50 H LYS 50 -15.717 22.652 9.779
395 HA LYS 50 HA LYS 50 -17.477 22.413 7.470
396 1HB LYS 50 1HB LYS 50 -17.577 21.586 10.382
397 2HB LYS 50 2HB LYS 50 -18.867 21.194 9.246
398 1HG LYS 50 1HG LYS 50 -16.026 20.556 8.515
399 2HG LYS 50 2HG LYS 50 -16.892 19.490 9.622
400 1HD LYS 50 1HD LYS 50 -18.698 19.226 7.965
401 2HD LYS 50 2HD LYS 50 -17.851 20.309 6.861
402 1HE LYS 50 1HE LYS 50 -17.381 17.966 6.254
403 2HE LYS 50 2HE LYS 50 -15.902 18.718 6.881
404 1HZ LYS 50 1HZ LYS 50 -17.750 17.520 8.810
405 2HZ LYS 50 2HZ LYS 50 -16.833 16.453 7.861
406 3HZ LYS 50 3HZ LYS 50 -16.053 17.598 8.844
407 H GLU 51 H GLU 51 -17.748 24.008 10.668
408 HA GLU 51 HA GLU 51 -20.343 25.075 10.432
409 1HB GLU 51 1HB GLU 51 -17.805 26.180 11.675
410 2HB GLU 51 2HB GLU 51 -19.416 26.819 12.002
411 1HG GLU 51 1HG GLU 51 -20.129 24.606 12.828
412 2HG GLU 51 2HG GLU 51 -18.521 23.962 12.496
413 H ALA 52 H ALA 52 -17.366 26.068 8.861
414 HA ALA 52 HA ALA 52 -18.381 28.673 7.988
415 1HB ALA 52 1HB ALA 52 -16.014 28.319 8.365
416 2HB ALA 52 2HB ALA 52 -16.244 28.570 6.635
417 3HB ALA 52 3HB ALA 52 -15.998 26.941 7.265
418 H LYS 53 H LYS 53 -19.256 29.151 5.954
419 HA LYS 53 HA LYS 53 -20.686 27.171 4.510
420 1HB LYS 53 1HB LYS 53 -19.627 29.904 3.721
421 2HB LYS 53 2HB LYS 53 -20.848 29.016 2.810
422 1HG LYS 53 1HG LYS 53 -22.365 29.048 4.704
423 2HG LYS 53 2HG LYS 53 -21.127 29.765 5.735
424 1HD LYS 53 1HD LYS 53 -21.094 31.775 4.306
425 2HD LYS 53 2HD LYS 53 -22.322 31.057 3.263
426 1HE LYS 53 1HE LYS 53 -23.851 30.923 5.267
427 2HE LYS 53 2HE LYS 53 -22.636 31.834 6.183
428 1HZ LYS 53 1HZ LYS 53 -23.378 32.836 3.537
429 2HZ LYS 53 2HZ LYS 53 -24.515 33.042 4.783
430 3HZ LYS 53 3HZ LYS 53 -22.954 33.696 4.935
431 H SER 54 H SER 54 -17.330 27.994 4.418
432 HA SER 54 HA SER 54 -16.667 27.296 1.726
433 1HB SER 54 1HB SER 54 -15.119 27.048 4.326
434 2HB SER 54 2HB SER 54 -14.400 27.012 2.717
435 HG SER 54 HG SER 54 -14.269 29.092 3.178
436 H GLN 55 H GLN 55 -17.464 25.340 4.516
437 HA GLN 55 HA GLN 55 -17.504 22.990 4.814
438 1HB GLN 55 1HB GLN 55 -19.204 23.466 3.048
439 2HB GLN 55 2HB GLN 55 -17.963 23.212 1.822
440 1HG GLN 55 1HG GLN 55 -19.143 21.134 2.020
441 2HG GLN 55 2HG GLN 55 -17.601 20.905 2.846
442 2HE2 GLN 55 2HE2 GLN 55 -20.838 20.274 3.223
443 1HE2 GLN 55 1HE2 GLN 55 -20.933 20.269 4.918
No H/Q in entry = 443
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -31.681 17.814 18.759
2 H2 LYS 1 H2 LYS 1 -31.789 19.029 19.941
3 H3 LYS 1 H3 LYS 1 -31.864 19.434 18.291
4 HA LYS 1 HA LYS 1 -29.620 19.240 17.976
5 1HB LYS 1 1HB LYS 1 -30.062 19.825 20.922
6 2HB LYS 1 2HB LYS 1 -28.587 20.219 20.037
7 1HG LYS 1 1HG LYS 1 -29.863 21.659 18.514
8 2HG LYS 1 2HG LYS 1 -31.362 21.227 19.334
9 1HD LYS 1 1HD LYS 1 -30.435 22.180 21.446
10 2HD LYS 1 2HD LYS 1 -29.003 22.692 20.555
11 1HE LYS 1 1HE LYS 1 -30.395 24.111 19.096
12 2HE LYS 1 2HE LYS 1 -31.852 23.571 19.951
13 1HZ LYS 1 1HZ LYS 1 -30.753 24.327 22.039
14 2HZ LYS 1 2HZ LYS 1 -29.525 25.027 21.095
15 3HZ LYS 1 3HZ LYS 1 -31.118 25.594 20.967
16 H ASN 2 H ASN 2 -27.875 17.824 18.001
17 HA ASN 2 HA ASN 2 -28.209 15.268 19.423
18 1HB ASN 2 1HB ASN 2 -26.205 16.415 17.461
19 2HB ASN 2 2HB ASN 2 -26.093 14.774 18.097
20 2HD2 ASN 2 2HD2 ASN 2 -28.779 13.968 18.101
21 1HD2 ASN 2 1HD2 ASN 2 -29.384 13.976 16.514
22 H GLU 3 H GLU 3 -27.201 14.788 21.340
23 HA GLU 3 HA GLU 3 -25.522 16.780 22.666
24 1HB GLU 3 1HB GLU 3 -26.512 13.987 23.287
25 2HB GLU 3 2HB GLU 3 -25.480 14.886 24.400
26 1HG GLU 3 1HG GLU 3 -28.119 15.910 23.309
27 2HG GLU 3 2HG GLU 3 -27.924 15.154 24.891
28 H ASP 4 H ASP 4 -24.943 14.205 20.494
29 HA ASP 4 HA ASP 4 -22.020 14.451 20.921
30 1HB ASP 4 1HB ASP 4 -23.342 12.543 22.290
31 2HB ASP 4 2HB ASP 4 -23.111 11.680 20.770
32 H GLN 5 H GLN 5 -22.235 15.418 18.743
33 HA GLN 5 HA GLN 5 -22.510 13.324 16.615
34 1HB GLN 5 1HB GLN 5 -24.511 14.839 16.882
35 2HB GLN 5 2HB GLN 5 -23.464 16.200 16.481
36 1HG GLN 5 1HG GLN 5 -22.897 15.071 14.324
37 2HG GLN 5 2HG GLN 5 -24.056 13.802 14.721
38 2HE2 GLN 5 2HE2 GLN 5 -25.212 14.581 12.687
39 1HE2 GLN 5 1HE2 GLN 5 -26.241 15.925 12.809
40 H GLU 6 H GLU 6 -20.042 13.449 17.034
41 HA GLU 6 HA GLU 6 -17.924 14.101 16.209
42 1HB GLU 6 1HB GLU 6 -19.552 15.745 14.255
43 2HB GLU 6 2HB GLU 6 -17.967 15.018 13.993
44 1HG GLU 6 1HG GLU 6 -19.000 12.762 14.251
45 2HG GLU 6 2HG GLU 6 -20.580 13.530 14.402
46 H MET 7 H MET 7 -19.568 15.840 18.162
47 HA MET 7 HA MET 7 -18.610 18.569 17.589
48 1HB MET 7 1HB MET 7 -20.135 17.226 19.838
49 2HB MET 7 2HB MET 7 -19.739 18.945 19.844
50 1HG MET 7 1HG MET 7 -20.974 19.283 17.772
51 2HG MET 7 2HG MET 7 -21.272 17.550 17.630
52 1HE MET 7 1HE MET 7 -21.126 20.297 19.984
53 2HE MET 7 2HE MET 7 -22.757 20.908 19.669
54 3HE MET 7 3HE MET 7 -22.404 20.068 21.176
55 H CYS 8 H CYS 8 -16.889 19.571 18.669
56 HA CYS 8 HA CYS 8 -15.286 17.829 20.517
57 1HB CYS 8 1HB CYS 8 -14.300 18.186 18.277
58 2HB CYS 8 2HB CYS 8 -14.410 19.931 18.508
59 H HIS 9 H HIS 9 -14.892 18.714 22.518
60 HA HIS 9 HA HIS 9 -15.338 21.664 22.859
61 1HB HIS 9 1HB HIS 9 -16.052 19.347 24.689
62 2HB HIS 9 2HB HIS 9 -16.310 21.051 25.065
63 HD1 HIS 9 HD1 HIS 9 -17.622 22.269 22.777
64 HD2 HIS 9 HD2 HIS 9 -18.413 18.294 23.750
65 HE1 HIS 9 HE1 HIS 9 -19.842 21.697 21.702
66 H GLU 10 H GLU 10 -13.181 19.051 23.191
67 HA GLU 10 HA GLU 10 -11.739 20.035 25.539
68 1HB GLU 10 1HB GLU 10 -10.282 18.170 25.055
69 2HB GLU 10 2HB GLU 10 -11.930 17.641 24.722
70 1HG GLU 10 1HG GLU 10 -11.494 18.378 22.296
71 2HG GLU 10 2HG GLU 10 -9.790 18.444 22.749
72 H PHE 11 H PHE 11 -11.319 20.205 21.999
73 HA PHE 11 HA PHE 11 -8.784 21.675 22.223
74 1HB PHE 11 1HB PHE 11 -10.657 20.803 20.037
75 2HB PHE 11 2HB PHE 11 -9.343 21.915 19.680
76 HD1 PHE 11 HD1 PHE 11 -10.197 18.489 20.749
77 HD2 PHE 11 HD2 PHE 11 -7.013 21.213 19.813
78 HE1 PHE 11 HE1 PHE 11 -8.605 16.594 20.648
79 HE2 PHE 11 HE2 PHE 11 -5.417 19.317 19.716
80 HZ PHE 11 HZ PHE 11 -6.216 17.010 20.134
81 H GLN 12 H GLN 12 -12.175 22.425 22.153
82 HA GLN 12 HA GLN 12 -12.352 24.939 20.973
83 1HB GLN 12 1HB GLN 12 -14.171 23.640 22.093
84 2HB GLN 12 2HB GLN 12 -13.486 24.080 23.658
85 1HG GLN 12 1HG GLN 12 -13.775 26.489 23.063
86 2HG GLN 12 2HG GLN 12 -14.560 25.993 21.564
87 2HE2 GLN 12 2HE2 GLN 12 -16.798 26.075 21.760
88 1HE2 GLN 12 1HE2 GLN 12 -17.672 25.714 23.169
89 H ALA 13 H ALA 13 -11.143 24.167 24.241
90 HA ALA 13 HA ALA 13 -10.609 26.810 25.130
91 1HB ALA 13 1HB ALA 13 -8.879 25.565 26.542
92 2HB ALA 13 2HB ALA 13 -9.305 24.118 25.629
93 3HB ALA 13 3HB ALA 13 -10.519 24.923 26.623
94 H PHE 14 H PHE 14 -9.027 24.847 22.726
95 HA PHE 14 HA PHE 14 -6.549 26.457 22.775
96 1HB PHE 14 1HB PHE 14 -7.505 24.271 20.904
97 2HB PHE 14 2HB PHE 14 -5.849 24.835 21.097
98 HD1 PHE 14 HD1 PHE 14 -6.458 25.201 24.261
99 HD2 PHE 14 HD2 PHE 14 -6.661 21.969 21.445
100 HE1 PHE 14 HE1 PHE 14 -6.123 23.573 26.102
101 HE2 PHE 14 HE2 PHE 14 -6.329 20.341 23.280
102 HZ PHE 14 HZ PHE 14 -6.060 21.142 25.613
103 H MET 15 H MET 15 -9.425 27.401 21.896
104 HA MET 15 HA MET 15 -8.810 28.226 19.107
105 1HB MET 15 1HB MET 15 -11.162 28.605 18.976
106 2HB MET 15 2HB MET 15 -10.980 27.125 19.909
107 1HG MET 15 1HG MET 15 -11.008 28.678 21.984
108 2HG MET 15 2HG MET 15 -11.658 29.897 20.890
109 1HE MET 15 1HE MET 15 -13.905 30.375 21.394
110 2HE MET 15 2HE MET 15 -15.066 29.279 22.140
111 3HE MET 15 3HE MET 15 -13.567 29.669 22.982
112 H LYS 16 H LYS 16 -7.820 30.189 18.884
113 HA LYS 16 HA LYS 16 -8.082 32.223 21.039
114 1HB LYS 16 1HB LYS 16 -5.862 31.535 20.146
115 2HB LYS 16 2HB LYS 16 -6.354 32.079 18.543
116 1HG LYS 16 1HG LYS 16 -5.065 33.856 19.557
117 2HG LYS 16 2HG LYS 16 -6.753 34.366 19.536
118 1HD LYS 16 1HD LYS 16 -5.943 34.872 21.730
119 2HD LYS 16 2HD LYS 16 -6.928 33.419 21.903
120 1HE LYS 16 1HE LYS 16 -4.974 32.008 21.992
121 2HE LYS 16 2HE LYS 16 -3.916 33.349 21.516
122 1HZ LYS 16 1HZ LYS 16 -5.101 34.479 23.559
123 2HZ LYS 16 2HZ LYS 16 -5.289 32.869 24.066
124 3HZ LYS 16 3HZ LYS 16 -3.738 33.492 23.781
125 H ASN 17 H ASN 17 -10.367 32.714 20.404
126 HA ASN 17 HA ASN 17 -11.891 34.205 19.375
127 1HB ASN 17 1HB ASN 17 -9.671 35.570 19.507
128 2HB ASN 17 2HB ASN 17 -9.544 35.232 17.780
129 2HD2 ASN 17 2HD2 ASN 17 -10.544 37.624 19.782
130 1HD2 ASN 17 1HD2 ASN 17 -11.822 38.272 18.874
131 H GLY 18 H GLY 18 -11.879 31.688 18.329
132 1HA GLY 18 1HA GLY 18 -12.503 32.198 15.497
133 2HA GLY 18 2HA GLY 18 -12.863 30.718 16.386
134 H LYS 19 H LYS 19 -9.655 31.892 16.766
135 HA LYS 19 HA LYS 19 -8.592 30.285 14.511
136 1HB LYS 19 1HB LYS 19 -7.886 32.662 15.401
137 2HB LYS 19 2HB LYS 19 -6.963 31.733 16.582
138 1HG LYS 19 1HG LYS 19 -6.785 31.306 13.586
139 2HG LYS 19 2HG LYS 19 -5.663 32.311 14.502
140 1HD LYS 19 1HD LYS 19 -5.135 30.327 15.936
141 2HD LYS 19 2HD LYS 19 -6.162 29.343 14.893
142 1HE LYS 19 1HE LYS 19 -4.730 29.889 12.953
143 2HE LYS 19 2HE LYS 19 -3.703 30.894 13.993
144 1HZ LYS 19 1HZ LYS 19 -4.337 28.127 14.785
145 2HZ LYS 19 2HZ LYS 19 -3.111 28.400 13.639
146 3HZ LYS 19 3HZ LYS 19 -2.986 29.074 15.191
147 H LEU 20 H LEU 20 -8.660 28.102 15.051
148 HA LEU 20 HA LEU 20 -8.066 27.161 17.765
149 1HB LEU 20 1HB LEU 20 -9.659 26.253 15.878
150 2HB LEU 20 2HB LEU 20 -8.199 25.461 15.287
151 HG LEU 20 HG LEU 20 -9.347 25.194 18.084
152 1HD1 LEU 20 1HD1 LEU 20 -10.557 24.044 16.143
153 2HD1 LEU 20 2HD1 LEU 20 -9.098 23.075 15.938
154 3HD1 LEU 20 3HD1 LEU 20 -10.009 22.989 17.445
155 1HD2 LEU 20 1HD2 LEU 20 -6.949 23.907 16.743
156 2HD2 LEU 20 2HD2 LEU 20 -6.907 25.043 18.091
157 3HD2 LEU 20 3HD2 LEU 20 -7.593 23.433 18.315
158 H PHE 21 H PHE 21 -5.937 27.146 18.425
159 HA PHE 21 HA PHE 21 -3.807 26.674 16.396
160 1HB PHE 21 1HB PHE 21 -2.375 27.280 18.491
161 2HB PHE 21 2HB PHE 21 -3.318 28.555 17.724
162 HD1 PHE 21 HD1 PHE 21 -3.131 26.256 20.618
163 HD2 PHE 21 HD2 PHE 21 -5.234 29.539 18.814
164 HE1 PHE 21 HE1 PHE 21 -4.319 26.671 22.755
165 HE2 PHE 21 HE2 PHE 21 -6.424 29.952 20.951
166 HZ PHE 21 HZ PHE 21 -5.965 28.519 22.921
167 H CYS 22 H CYS 22 -4.727 24.355 16.372
168 HA CYS 22 HA CYS 22 -4.610 22.496 18.443
169 1HB CYS 22 1HB CYS 22 -4.905 22.518 15.690
170 2HB CYS 22 2HB CYS 22 -3.454 21.543 15.922
171 HA PRO 23 HA PRO 23 0.090 21.764 17.453
172 1HB PRO 23 1HB PRO 23 1.117 24.248 16.426
173 2HB PRO 23 2HB PRO 23 1.077 22.673 15.631
174 1HG PRO 23 1HG PRO 23 -0.497 24.980 15.014
175 2HG PRO 23 2HG PRO 23 -0.582 23.385 14.263
176 1HD PRO 23 1HD PRO 23 -2.474 24.620 16.075
177 2HD PRO 23 2HD PRO 23 -2.611 23.052 15.249
178 H GLN 24 H GLN 24 -0.353 22.059 19.804
179 HA GLN 24 HA GLN 24 0.924 24.550 20.885
180 1HB GLN 24 1HB GLN 24 -1.405 24.665 21.368
181 2HB GLN 24 2HB GLN 24 -1.488 22.945 21.742
182 1HG GLN 24 1HG GLN 24 0.108 23.424 23.679
183 2HG GLN 24 2HG GLN 24 -0.189 25.135 23.378
184 2HE2 GLN 24 2HE2 GLN 24 -1.811 22.075 24.273
185 1HE2 GLN 24 1HE2 GLN 24 -3.161 22.813 24.993
186 H ASP 25 H ASP 25 -0.176 21.556 22.430
187 HA ASP 25 HA ASP 25 2.665 20.863 23.064
188 1HB ASP 25 1HB ASP 25 1.262 22.176 24.838
189 2HB ASP 25 2HB ASP 25 0.426 20.640 25.069
190 H LYS 26 H LYS 26 2.160 19.259 21.277
191 HA LYS 26 HA LYS 26 0.126 17.242 21.596
192 1HB LYS 26 1HB LYS 26 2.568 17.734 19.949
193 2HB LYS 26 2HB LYS 26 1.916 16.096 19.967
194 1HG LYS 26 1HG LYS 26 -0.201 16.826 19.135
195 2HG LYS 26 2HG LYS 26 0.181 18.520 19.445
196 1HD LYS 26 1HD LYS 26 2.210 18.001 17.806
197 2HD LYS 26 2HD LYS 26 1.127 16.731 17.238
198 1HE LYS 26 1HE LYS 26 -0.658 18.446 16.893
199 2HE LYS 26 2HE LYS 26 0.499 19.703 17.371
200 1HZ LYS 26 1HZ LYS 26 2.008 18.871 15.637
201 2HZ LYS 26 2HZ LYS 26 0.825 17.755 15.142
202 3HZ LYS 26 3HZ LYS 26 0.542 19.419 14.978
203 H LYS 27 H LYS 27 2.878 17.779 23.444
204 HA LYS 27 HA LYS 27 4.243 15.434 23.876
205 1HB LYS 27 1HB LYS 27 3.082 17.531 25.694
206 2HB LYS 27 2HB LYS 27 3.978 16.179 26.385
207 1HG LYS 27 1HG LYS 27 5.919 16.722 24.982
208 2HG LYS 27 2HG LYS 27 5.023 18.042 24.232
209 1HD LYS 27 1HD LYS 27 4.703 18.909 26.663
210 2HD LYS 27 2HD LYS 27 6.033 17.824 27.063
211 1HE LYS 27 1HE LYS 27 7.481 18.946 25.424
212 2HE LYS 27 2HE LYS 27 6.138 19.999 24.937
213 1HZ LYS 27 1HZ LYS 27 5.958 20.539 27.403
214 2HZ LYS 27 2HZ LYS 27 7.501 19.848 27.566
215 3HZ LYS 27 3HZ LYS 27 7.282 21.208 26.577
216 H PHE 28 H PHE 28 0.850 16.020 24.571
217 HA PHE 28 HA PHE 28 0.177 14.029 26.403
218 1HB PHE 28 1HB PHE 28 -1.289 14.761 23.849
219 2HB PHE 28 2HB PHE 28 -2.013 14.138 25.329
220 HD1 PHE 28 HD1 PHE 28 -0.889 15.560 27.498
221 HD2 PHE 28 HD2 PHE 28 -1.773 17.026 23.557
222 HE1 PHE 28 HE1 PHE 28 -1.061 17.866 28.394
223 HE2 PHE 28 HE2 PHE 28 -1.947 19.331 24.455
224 HZ PHE 28 HZ PHE 28 -1.590 19.751 26.873
225 H PHE 29 H PHE 29 1.358 13.614 23.149
226 HA PHE 29 HA PHE 29 0.351 11.070 22.443
227 1HB PHE 29 1HB PHE 29 1.675 12.587 21.010
228 2HB PHE 29 2HB PHE 29 3.094 12.305 22.016
229 HD1 PHE 29 HD1 PHE 29 3.813 9.798 22.320
230 HD2 PHE 29 HD2 PHE 29 1.288 11.219 19.150
231 HE1 PHE 29 HE1 PHE 29 4.356 7.781 20.984
232 HE2 PHE 29 HE2 PHE 29 1.832 9.202 17.812
233 HZ PHE 29 HZ PHE 29 3.365 7.483 18.730
234 H GLN 30 H GLN 30 2.497 11.924 25.009
235 HA GLN 30 HA GLN 30 4.079 9.566 25.255
236 1HB GLN 30 1HB GLN 30 3.006 11.628 27.189
237 2HB GLN 30 2HB GLN 30 4.122 10.360 27.695
238 1HG GLN 30 1HG GLN 30 5.513 11.194 25.603
239 2HG GLN 30 2HG GLN 30 4.592 12.677 25.850
240 2HE2 GLN 30 2HE2 GLN 30 5.663 14.117 27.199
241 1HE2 GLN 30 1HE2 GLN 30 6.688 13.683 28.480
242 H SER 31 H SER 31 0.696 9.952 25.631
243 HA SER 31 HA SER 31 0.532 7.229 26.833
244 1HB SER 31 1HB SER 31 -1.241 8.240 28.408
245 2HB SER 31 2HB SER 31 0.445 8.620 28.761
246 HG SER 31 HG SER 31 -1.589 10.262 28.048
247 H LEU 32 H LEU 32 -1.748 6.380 26.698
248 HA LEU 32 HA LEU 32 -2.881 6.719 24.099
249 1HB LEU 32 1HB LEU 32 -3.022 4.850 25.964
250 2HB LEU 32 2HB LEU 32 -4.456 5.749 26.460
251 HG LEU 32 HG LEU 32 -4.048 4.967 23.578
252 1HD1 LEU 32 1HD1 LEU 32 -4.891 3.268 25.891
253 2HD1 LEU 32 2HD1 LEU 32 -5.737 3.065 24.358
254 3HD1 LEU 32 3HD1 LEU 32 -3.992 2.818 24.443
255 1HD2 LEU 32 1HD2 LEU 32 -6.326 5.827 25.348
256 2HD2 LEU 32 2HD2 LEU 32 -5.826 6.486 23.791
257 3HD2 LEU 32 3HD2 LEU 32 -6.645 4.926 23.867
258 H ASP 33 H ASP 33 -4.179 7.737 27.273
259 HA ASP 33 HA ASP 33 -6.415 9.187 26.340
260 1HB ASP 33 1HB ASP 33 -5.887 8.595 28.702
261 2HB ASP 33 2HB ASP 33 -4.571 9.770 28.686
262 H GLY 34 H GLY 34 -3.029 10.170 26.724
263 1HA GLY 34 1HA GLY 34 -1.934 12.147 26.042
264 2HA GLY 34 2HA GLY 34 -3.517 12.915 25.899
265 H ILE 35 H ILE 35 -2.576 9.901 24.345
266 HA ILE 35 HA ILE 35 -1.884 10.959 21.775
267 HB ILE 35 HB ILE 35 -2.627 8.363 23.030
268 1HG1 ILE 35 1HG1 ILE 35 -0.294 9.244 22.798
269 2HG1 ILE 35 2HG1 ILE 35 -0.523 7.671 22.035
270 1HG2 ILE 35 1HG2 ILE 35 -4.053 8.401 20.981
271 2HG2 ILE 35 2HG2 ILE 35 -2.608 8.697 20.014
272 3HG2 ILE 35 3HG2 ILE 35 -2.784 7.181 20.897
273 1HD1 ILE 35 1HD1 ILE 35 -1.125 9.200 19.926
274 2HD1 ILE 35 2HD1 ILE 35 -0.096 10.349 20.777
275 3HD1 ILE 35 3HD1 ILE 35 0.543 8.775 20.308
276 H MET 36 H MET 36 -4.973 9.987 23.228
277 HA MET 36 HA MET 36 -6.669 9.949 21.005
278 1HB MET 36 1HB MET 36 -6.870 10.704 23.881
279 2HB MET 36 2HB MET 36 -8.225 11.145 22.841
280 1HG MET 36 1HG MET 36 -8.456 8.824 22.104
281 2HG MET 36 2HG MET 36 -7.039 8.360 23.044
282 1HE MET 36 1HE MET 36 -10.363 9.142 22.565
283 2HE MET 36 2HE MET 36 -11.043 7.956 23.688
284 3HE MET 36 3HE MET 36 -11.122 9.676 24.062
285 H PHE 37 H PHE 37 -5.840 12.856 22.955
286 HA PHE 37 HA PHE 37 -7.253 14.795 21.560
287 1HB PHE 37 1HB PHE 37 -6.111 15.987 23.097
288 2HB PHE 37 2HB PHE 37 -5.061 14.604 23.385
289 HD1 PHE 37 HD1 PHE 37 -2.958 14.338 22.026
290 HD2 PHE 37 HD2 PHE 37 -5.357 17.891 21.878
291 HE1 PHE 37 HE1 PHE 37 -1.069 15.566 21.006
292 HE2 PHE 37 HE2 PHE 37 -3.466 19.122 20.852
293 HZ PHE 37 HZ PHE 37 -1.327 17.951 20.417
294 H ILE 38 H ILE 38 -3.983 13.585 20.672
295 HA ILE 38 HA ILE 38 -3.519 15.106 18.371
296 HB ILE 38 HB ILE 38 -2.968 12.196 19.017
297 1HG1 ILE 38 1HG1 ILE 38 -1.380 14.764 19.286
298 2HG1 ILE 38 2HG1 ILE 38 -1.931 13.707 20.587
299 1HG2 ILE 38 1HG2 ILE 38 -2.859 12.695 16.555
300 2HG2 ILE 38 2HG2 ILE 38 -1.644 13.925 16.906
301 3HG2 ILE 38 3HG2 ILE 38 -1.306 12.228 17.247
302 1HD1 ILE 38 1HD1 ILE 38 -0.417 12.172 18.672
303 2HD1 ILE 38 2HD1 ILE 38 0.526 13.570 19.186
304 3HD1 ILE 38 3HD1 ILE 38 -0.087 12.432 20.384
305 H ASN 39 H ASN 39 -5.543 12.215 18.744
306 HA ASN 39 HA ASN 39 -6.194 11.971 15.924
307 1HB ASN 39 1HB ASN 39 -7.433 10.947 18.498
308 2HB ASN 39 2HB ASN 39 -7.964 10.441 16.894
309 2HD2 ASN 39 2HD2 ASN 39 -6.360 9.064 19.234
310 1HD2 ASN 39 1HD2 ASN 39 -5.064 8.334 18.417
311 H LYS 40 H LYS 40 -7.455 13.807 18.625
312 HA LYS 40 HA LYS 40 -9.886 14.588 17.098
313 1HB LYS 40 1HB LYS 40 -8.873 14.817 19.926
314 2HB LYS 40 2HB LYS 40 -10.208 15.835 19.386
315 1HG LYS 40 1HG LYS 40 -11.532 13.900 18.794
316 2HG LYS 40 2HG LYS 40 -10.168 12.820 19.085
317 1HD LYS 40 1HD LYS 40 -10.230 13.947 21.491
318 2HD LYS 40 2HD LYS 40 -11.912 14.251 21.054
319 1HE LYS 40 1HE LYS 40 -12.100 11.781 20.471
320 2HE LYS 40 2HE LYS 40 -10.504 11.566 21.215
321 1HZ LYS 40 1HZ LYS 40 -12.661 13.041 22.603
322 2HZ LYS 40 2HZ LYS 40 -12.564 11.349 22.712
323 3HZ LYS 40 3HZ LYS 40 -11.280 12.308 23.268
324 H CYS 41 H CYS 41 -6.691 15.657 17.680
325 HA CYS 41 HA CYS 41 -6.978 18.490 17.762
326 1HB CYS 41 1HB CYS 41 -4.876 17.436 18.225
327 2HB CYS 41 2HB CYS 41 -4.884 16.590 16.681
328 H ALA 42 H ALA 42 -5.798 16.742 14.899
329 HA ALA 42 HA ALA 42 -6.446 18.740 13.005
330 1HB ALA 42 1HB ALA 42 -5.139 16.392 12.990
331 2HB ALA 42 2HB ALA 42 -5.710 17.145 11.501
332 3HB ALA 42 3HB ALA 42 -6.650 15.857 12.255
333 H THR 43 H THR 43 -8.440 16.172 14.379
334 HA THR 43 HA THR 43 -10.646 16.453 12.517
335 HB THR 43 HB THR 43 -10.638 15.406 15.365
336 HG1 THR 43 HG1 THR 43 -9.504 13.784 14.683
337 1HG2 THR 43 1HG2 THR 43 -12.675 15.638 13.490
338 2HG2 THR 43 2HG2 THR 43 -12.138 13.967 13.314
339 3HG2 THR 43 3HG2 THR 43 -12.673 14.561 14.886
340 H CYS 44 H CYS 44 -10.285 17.419 15.956
341 HA CYS 44 HA CYS 44 -12.637 18.903 16.265
342 1HB CYS 44 1HB CYS 44 -9.819 19.205 17.317
343 2HB CYS 44 2HB CYS 44 -11.118 20.261 17.869
344 H LYS 45 H LYS 45 -9.790 19.662 14.398
345 HA LYS 45 HA LYS 45 -10.184 22.513 14.166
346 1HB LYS 45 1HB LYS 45 -8.060 21.396 13.709
347 2HB LYS 45 2HB LYS 45 -8.805 20.443 12.426
348 1HG LYS 45 1HG LYS 45 -9.465 22.864 11.517
349 2HG LYS 45 2HG LYS 45 -8.044 23.334 12.448
350 1HD LYS 45 1HD LYS 45 -6.834 21.401 11.252
351 2HD LYS 45 2HD LYS 45 -8.209 21.383 10.147
352 1HE LYS 45 1HE LYS 45 -7.807 23.726 9.550
353 2HE LYS 45 2HE LYS 45 -6.488 23.823 10.733
354 1HZ LYS 45 1HZ LYS 45 -6.472 21.635 8.772
355 2HZ LYS 45 2HZ LYS 45 -6.012 23.183 8.243
356 3HZ LYS 45 3HZ LYS 45 -5.166 22.428 9.509
357 H MET 46 H MET 46 -10.960 19.802 11.934
358 HA MET 46 HA MET 46 -12.283 21.366 9.958
359 1HB MET 46 1HB MET 46 -13.272 19.180 9.324
360 2HB MET 46 2HB MET 46 -11.555 19.025 9.689
361 1HG MET 46 1HG MET 46 -11.938 17.724 11.513
362 2HG MET 46 2HG MET 46 -13.330 18.679 12.019
363 1HE MET 46 1HE MET 46 -12.046 16.649 9.085
364 2HE MET 46 2HE MET 46 -13.458 15.815 8.441
365 3HE MET 46 3HE MET 46 -13.311 17.570 8.277
366 H ILE 47 H ILE 47 -13.335 20.228 13.096
367 HA ILE 47 HA ILE 47 -16.156 20.377 12.814
368 HB ILE 47 HB ILE 47 -14.400 21.150 15.171
369 1HG1 ILE 47 1HG1 ILE 47 -13.715 18.974 14.433
370 2HG1 ILE 47 2HG1 ILE 47 -14.799 18.713 15.799
371 1HG2 ILE 47 1HG2 ILE 47 -17.285 20.275 14.911
372 2HG2 ILE 47 2HG2 ILE 47 -16.408 20.220 16.440
373 3HG2 ILE 47 3HG2 ILE 47 -16.669 21.763 15.628
374 1HD1 ILE 47 1HD1 ILE 47 -16.563 18.775 13.693
375 2HD1 ILE 47 2HD1 ILE 47 -15.152 18.011 12.957
376 3HD1 ILE 47 3HD1 ILE 47 -15.892 17.300 14.392
377 H LEU 48 H LEU 48 -13.741 22.908 13.460
378 HA LEU 48 HA LEU 48 -15.643 25.048 13.864
379 1HB LEU 48 1HB LEU 48 -12.710 24.834 13.153
380 2HB LEU 48 2HB LEU 48 -13.504 26.399 13.328
381 HG LEU 48 HG LEU 48 -12.518 25.842 15.461
382 1HD1 LEU 48 1HD1 LEU 48 -15.203 26.395 15.101
383 2HD1 LEU 48 2HD1 LEU 48 -15.238 25.003 16.185
384 3HD1 LEU 48 3HD1 LEU 48 -14.351 26.457 16.645
385 1HD2 LEU 48 1HD2 LEU 48 -12.441 23.350 14.915
386 2HD2 LEU 48 2HD2 LEU 48 -12.859 23.754 16.579
387 3HD2 LEU 48 3HD2 LEU 48 -14.121 23.276 15.444
388 H GLU 49 H GLU 49 -13.802 23.866 11.046
389 HA GLU 49 HA GLU 49 -14.919 25.888 9.245
390 1HB GLU 49 1HB GLU 49 -13.436 23.284 8.745
391 2HB GLU 49 2HB GLU 49 -13.664 24.579 7.570
392 1HG GLU 49 1HG GLU 49 -12.448 25.288 10.207
393 2HG GLU 49 2HG GLU 49 -11.445 24.419 9.046
394 H LYS 50 H LYS 50 -15.912 22.836 10.489
395 HA LYS 50 HA LYS 50 -17.522 21.880 8.305
396 1HB LYS 50 1HB LYS 50 -16.735 20.568 10.267
397 2HB LYS 50 2HB LYS 50 -17.788 21.523 11.310
398 1HG LYS 50 1HG LYS 50 -18.909 20.078 8.915
399 2HG LYS 50 2HG LYS 50 -18.658 19.227 10.440
400 1HD LYS 50 1HD LYS 50 -19.924 21.301 11.464
401 2HD LYS 50 2HD LYS 50 -20.531 21.490 9.819
402 1HE LYS 50 1HE LYS 50 -21.490 19.266 9.841
403 2HE LYS 50 2HE LYS 50 -20.700 18.889 11.384
404 1HZ LYS 50 1HZ LYS 50 -22.344 21.314 11.211
405 2HZ LYS 50 2HZ LYS 50 -23.149 19.821 11.307
406 3HZ LYS 50 3HZ LYS 50 -22.073 20.290 12.535
407 H GLU 51 H GLU 51 -18.193 24.036 11.059
408 HA GLU 51 HA GLU 51 -21.030 24.254 10.632
409 1HB GLU 51 1HB GLU 51 -19.817 24.838 12.712
410 2HB GLU 51 2HB GLU 51 -19.019 26.165 11.867
411 1HG GLU 51 1HG GLU 51 -21.177 27.243 11.456
412 2HG GLU 51 2HG GLU 51 -22.021 25.888 12.204
413 H ALA 52 H ALA 52 -18.243 25.879 9.225
414 HA ALA 52 HA ALA 52 -19.805 28.012 7.970
415 1HB ALA 52 1HB ALA 52 -17.559 28.519 8.506
416 2HB ALA 52 2HB ALA 52 -16.972 26.980 7.875
417 3HB ALA 52 3HB ALA 52 -17.507 28.242 6.764
418 H LYS 53 H LYS 53 -18.731 24.782 7.112
419 HA LYS 53 HA LYS 53 -19.088 25.043 4.246
420 1HB LYS 53 1HB LYS 53 -17.666 23.346 5.298
421 2HB LYS 53 2HB LYS 53 -19.061 22.669 6.138
422 1HG LYS 53 1HG LYS 53 -20.096 22.077 3.995
423 2HG LYS 53 2HG LYS 53 -18.751 22.814 3.123
424 1HD LYS 53 1HD LYS 53 -17.194 21.191 4.056
425 2HD LYS 53 2HD LYS 53 -18.463 20.511 5.076
426 1HE LYS 53 1HE LYS 53 -19.689 19.729 3.121
427 2HE LYS 53 2HE LYS 53 -18.543 20.541 2.036
428 1HZ LYS 53 1HZ LYS 53 -16.766 19.224 3.209
429 2HZ LYS 53 2HZ LYS 53 -18.006 18.307 3.922
430 3HZ LYS 53 3HZ LYS 53 -17.808 18.308 2.234
431 H SER 54 H SER 54 -21.213 24.289 6.948
432 HA SER 54 HA SER 54 -23.371 23.162 5.368
433 1HB SER 54 1HB SER 54 -24.593 23.397 7.485
434 2HB SER 54 2HB SER 54 -22.964 22.800 7.803
435 HG SER 54 HG SER 54 -22.483 25.178 8.008
436 H GLN 55 H GLN 55 -22.232 26.370 5.900
437 HA GLN 55 HA GLN 55 -24.859 27.615 5.297
438 1HB GLN 55 1HB GLN 55 -22.097 28.725 5.896
439 2HB GLN 55 2HB GLN 55 -23.562 29.695 5.744
440 1HG GLN 55 1HG GLN 55 -23.054 27.514 7.791
441 2HG GLN 55 2HG GLN 55 -23.130 29.248 8.108
442 2HE2 GLN 55 2HE2 GLN 55 -25.185 30.116 8.550
443 1HE2 GLN 55 1HE2 GLN 55 -26.644 29.276 8.337
No H/Q in entry = 443
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -31.388 19.911 18.607
2 H2 LYS 1 H2 LYS 1 -32.656 18.960 17.995
3 H3 LYS 1 H3 LYS 1 -31.869 18.503 19.428
4 HA LYS 1 HA LYS 1 -30.916 17.088 17.862
5 1HB LYS 1 1HB LYS 1 -30.542 17.797 15.595
6 2HB LYS 1 2HB LYS 1 -32.115 18.441 16.062
7 1HG LYS 1 1HG LYS 1 -31.026 20.606 16.635
8 2HG LYS 1 2HG LYS 1 -29.485 19.953 16.077
9 1HD LYS 1 1HD LYS 1 -31.959 20.079 14.334
10 2HD LYS 1 2HD LYS 1 -30.734 21.348 14.364
11 1HE LYS 1 1HE LYS 1 -29.012 19.748 13.655
12 2HE LYS 1 2HE LYS 1 -30.197 18.428 13.703
13 1HZ LYS 1 1HZ LYS 1 -31.537 20.160 12.245
14 2HZ LYS 1 2HZ LYS 1 -29.971 20.668 11.829
15 3HZ LYS 1 3HZ LYS 1 -30.452 19.065 11.541
16 H ASN 2 H ASN 2 -28.586 17.668 16.455
17 HA ASN 2 HA ASN 2 -26.821 18.627 18.643
18 1HB ASN 2 1HB ASN 2 -26.368 17.200 16.003
19 2HB ASN 2 2HB ASN 2 -25.081 17.591 17.144
20 2HD2 ASN 2 2HD2 ASN 2 -26.499 17.044 19.591
21 1HD2 ASN 2 1HD2 ASN 2 -26.809 15.377 19.660
22 H GLU 3 H GLU 3 -25.451 20.422 18.395
23 HA GLU 3 HA GLU 3 -26.221 22.428 16.425
24 1HB GLU 3 1HB GLU 3 -24.146 22.170 18.609
25 2HB GLU 3 2HB GLU 3 -24.241 23.607 17.590
26 1HG GLU 3 1HG GLU 3 -26.613 23.900 18.246
27 2HG GLU 3 2HG GLU 3 -26.489 22.483 19.291
28 H ASP 4 H ASP 4 -23.880 19.880 16.534
29 HA ASP 4 HA ASP 4 -22.053 19.355 15.113
30 1HB ASP 4 1HB ASP 4 -24.157 20.705 13.424
31 2HB ASP 4 2HB ASP 4 -22.692 20.049 12.696
32 H GLN 5 H GLN 5 -22.093 22.090 16.490
33 HA GLN 5 HA GLN 5 -20.179 23.470 14.628
34 1HB GLN 5 1HB GLN 5 -22.430 24.407 16.373
35 2HB GLN 5 2HB GLN 5 -21.057 25.487 16.129
36 1HG GLN 5 1HG GLN 5 -21.338 25.359 13.706
37 2HG GLN 5 2HG GLN 5 -22.636 24.179 13.894
38 2HE2 GLN 5 2HE2 GLN 5 -24.718 24.954 14.689
39 1HE2 GLN 5 1HE2 GLN 5 -25.083 26.611 14.754
40 H GLU 6 H GLU 6 -20.688 22.008 17.667
41 HA GLU 6 HA GLU 6 -17.976 22.847 18.569
42 1HB GLU 6 1HB GLU 6 -18.935 23.324 20.816
43 2HB GLU 6 2HB GLU 6 -19.633 24.375 19.584
44 1HG GLU 6 1HG GLU 6 -21.634 23.047 19.472
45 2HG GLU 6 2HG GLU 6 -20.914 21.773 20.457
46 H MET 7 H MET 7 -19.389 20.377 17.496
47 HA MET 7 HA MET 7 -20.023 18.379 19.256
48 1HB MET 7 1HB MET 7 -18.125 18.333 16.892
49 2HB MET 7 2HB MET 7 -18.804 16.879 17.625
50 1HG MET 7 1HG MET 7 -21.053 17.575 17.086
51 2HG MET 7 2HG MET 7 -20.490 19.164 16.567
52 1HE MET 7 1HE MET 7 -19.776 15.598 16.421
53 2HE MET 7 2HE MET 7 -19.870 15.090 14.738
54 3HE MET 7 3HE MET 7 -18.364 15.760 15.380
55 H CYS 8 H CYS 8 -16.686 19.445 18.518
56 HA CYS 8 HA CYS 8 -15.577 17.660 20.591
57 1HB CYS 8 1HB CYS 8 -14.505 18.073 18.377
58 2HB CYS 8 2HB CYS 8 -14.306 19.770 18.816
59 H HIS 9 H HIS 9 -15.365 18.322 22.688
60 HA HIS 9 HA HIS 9 -15.474 21.258 23.272
61 1HB HIS 9 1HB HIS 9 -16.288 20.485 25.482
62 2HB HIS 9 2HB HIS 9 -17.272 19.821 24.178
63 HD1 HIS 9 HD1 HIS 9 -14.488 18.838 26.555
64 HD2 HIS 9 HD2 HIS 9 -17.225 17.026 23.985
65 HE1 HIS 9 HE1 HIS 9 -14.323 16.345 26.974
66 H GLU 10 H GLU 10 -13.439 18.486 23.335
67 HA GLU 10 HA GLU 10 -11.755 19.114 25.575
68 1HB GLU 10 1HB GLU 10 -11.806 16.930 24.506
69 2HB GLU 10 2HB GLU 10 -11.304 17.630 22.968
70 1HG GLU 10 1HG GLU 10 -9.381 16.595 24.092
71 2HG GLU 10 2HG GLU 10 -9.168 18.344 24.012
72 H PHE 11 H PHE 11 -11.535 19.949 22.106
73 HA PHE 11 HA PHE 11 -9.131 21.602 22.604
74 1HB PHE 11 1HB PHE 11 -10.742 20.717 20.208
75 2HB PHE 11 2HB PHE 11 -9.448 21.904 20.059
76 HD1 PHE 11 HD1 PHE 11 -10.182 18.459 21.312
77 HD2 PHE 11 HD2 PHE 11 -7.191 21.224 19.948
78 HE1 PHE 11 HE1 PHE 11 -8.503 16.636 21.296
79 HE2 PHE 11 HE2 PHE 11 -5.513 19.401 19.937
80 HZ PHE 11 HZ PHE 11 -6.168 17.110 20.611
81 H GLN 12 H GLN 12 -12.552 21.989 22.462
82 HA GLN 12 HA GLN 12 -13.014 24.490 21.342
83 1HB GLN 12 1HB GLN 12 -14.640 22.927 22.453
84 2HB GLN 12 2HB GLN 12 -14.051 23.495 24.015
85 1HG GLN 12 1HG GLN 12 -14.812 25.730 23.582
86 2HG GLN 12 2HG GLN 12 -15.138 25.359 21.890
87 2HE2 GLN 12 2HE2 GLN 12 -16.776 25.920 24.671
88 1HE2 GLN 12 1HE2 GLN 12 -18.114 24.897 24.453
89 H ALA 13 H ALA 13 -11.213 23.747 24.257
90 HA ALA 13 HA ALA 13 -11.206 26.489 25.283
91 1HB ALA 13 1HB ALA 13 -10.045 25.521 27.057
92 2HB ALA 13 2HB ALA 13 -9.208 24.372 26.014
93 3HB ALA 13 3HB ALA 13 -10.905 24.116 26.423
94 H PHE 14 H PHE 14 -9.340 24.664 22.978
95 HA PHE 14 HA PHE 14 -6.997 26.444 23.138
96 1HB PHE 14 1HB PHE 14 -7.708 24.279 21.139
97 2HB PHE 14 2HB PHE 14 -6.104 24.908 21.499
98 HD1 PHE 14 HD1 PHE 14 -6.869 25.119 24.595
99 HD2 PHE 14 HD2 PHE 14 -6.927 21.980 21.667
100 HE1 PHE 14 HE1 PHE 14 -6.615 23.433 26.397
101 HE2 PHE 14 HE2 PHE 14 -6.674 20.293 23.467
102 HZ PHE 14 HZ PHE 14 -6.519 21.020 25.833
103 H MET 15 H MET 15 -9.876 27.235 22.199
104 HA MET 15 HA MET 15 -9.478 27.995 19.395
105 1HB MET 15 1HB MET 15 -11.566 28.393 21.534
106 2HB MET 15 2HB MET 15 -11.688 29.240 19.991
107 1HG MET 15 1HG MET 15 -11.271 26.866 18.965
108 2HG MET 15 2HG MET 15 -11.796 26.291 20.544
109 1HE MET 15 1HE MET 15 -13.831 26.960 21.715
110 2HE MET 15 2HE MET 15 -13.905 28.683 21.357
111 3HE MET 15 3HE MET 15 -15.297 27.660 21.016
112 H LYS 16 H LYS 16 -9.022 30.074 18.649
113 HA LYS 16 HA LYS 16 -8.363 32.148 20.719
114 1HB LYS 16 1HB LYS 16 -6.476 30.809 19.483
115 2HB LYS 16 2HB LYS 16 -6.892 31.832 18.107
116 1HG LYS 16 1HG LYS 16 -6.750 33.595 20.280
117 2HG LYS 16 2HG LYS 16 -5.386 32.500 20.506
118 1HD LYS 16 1HD LYS 16 -4.580 32.955 18.260
119 2HD LYS 16 2HD LYS 16 -6.011 33.921 17.902
120 1HE LYS 16 1HE LYS 16 -5.281 35.718 19.187
121 2HE LYS 16 2HE LYS 16 -4.341 34.683 20.280
122 1HZ LYS 16 1HZ LYS 16 -3.601 34.658 17.455
123 2HZ LYS 16 2HZ LYS 16 -3.217 36.069 18.321
124 3HZ LYS 16 3HZ LYS 16 -2.612 34.570 18.834
125 H ASN 17 H ASN 17 -10.404 33.210 20.316
126 HA ASN 17 HA ASN 17 -11.837 34.709 19.184
127 1HB ASN 17 1HB ASN 17 -9.223 35.097 17.688
128 2HB ASN 17 2HB ASN 17 -10.603 36.189 17.578
129 2HD2 ASN 17 2HD2 ASN 17 -7.685 35.980 19.070
130 1HD2 ASN 17 1HD2 ASN 17 -8.027 36.795 20.519
131 H GLY 18 H GLY 18 -12.187 32.096 18.395
132 1HA GLY 18 1HA GLY 18 -13.100 32.434 15.633
133 2HA GLY 18 2HA GLY 18 -13.373 31.017 16.648
134 H LYS 19 H LYS 19 -10.234 31.397 17.110
135 HA LYS 19 HA LYS 19 -9.455 29.884 14.635
136 1HB LYS 19 1HB LYS 19 -8.587 32.282 15.094
137 2HB LYS 19 2HB LYS 19 -7.624 31.541 16.372
138 1HG LYS 19 1HG LYS 19 -7.599 30.487 13.540
139 2HG LYS 19 2HG LYS 19 -6.505 31.766 14.066
140 1HD LYS 19 1HD LYS 19 -5.743 30.253 15.926
141 2HD LYS 19 2HD LYS 19 -6.720 28.968 15.217
142 1HE LYS 19 1HE LYS 19 -5.362 28.832 13.290
143 2HE LYS 19 2HE LYS 19 -4.681 30.449 13.549
144 1HZ LYS 19 1HZ LYS 19 -4.352 28.224 15.487
145 2HZ LYS 19 2HZ LYS 19 -3.222 28.537 14.256
146 3HZ LYS 19 3HZ LYS 19 -3.521 29.702 15.456
147 H LEU 20 H LEU 20 -9.413 27.759 15.337
148 HA LEU 20 HA LEU 20 -8.479 27.064 18.046
149 1HB LEU 20 1HB LEU 20 -10.311 25.803 17.273
150 2HB LEU 20 2HB LEU 20 -9.651 25.670 15.645
151 HG LEU 20 HG LEU 20 -7.797 24.242 16.619
152 1HD1 LEU 20 1HD1 LEU 20 -9.497 24.701 19.047
153 2HD1 LEU 20 2HD1 LEU 20 -8.664 23.157 18.865
154 3HD1 LEU 20 3HD1 LEU 20 -7.739 24.659 18.909
155 1HD2 LEU 20 1HD2 LEU 20 -10.491 23.600 15.986
156 2HD2 LEU 20 2HD2 LEU 20 -9.079 22.550 15.880
157 3HD2 LEU 20 3HD2 LEU 20 -10.032 22.600 17.363
158 H PHE 21 H PHE 21 -6.285 26.902 18.396
159 HA PHE 21 HA PHE 21 -4.510 26.268 16.094
160 1HB PHE 21 1HB PHE 21 -2.745 26.811 17.926
161 2HB PHE 21 2HB PHE 21 -3.733 28.130 17.309
162 HD1 PHE 21 HD1 PHE 21 -3.173 25.851 20.168
163 HD2 PHE 21 HD2 PHE 21 -5.411 29.203 18.682
164 HE1 PHE 21 HE1 PHE 21 -3.970 26.337 22.464
165 HE2 PHE 21 HE2 PHE 21 -6.208 29.689 20.978
166 HZ PHE 21 HZ PHE 21 -5.487 28.256 22.870
167 H CYS 22 H CYS 22 -5.112 24.008 15.956
168 HA CYS 22 HA CYS 22 -5.097 22.095 18.002
169 1HB CYS 22 1HB CYS 22 -5.872 21.394 15.926
170 2HB CYS 22 2HB CYS 22 -4.532 22.129 15.056
171 HA PRO 23 HA PRO 23 -0.343 21.454 17.187
172 1HB PRO 23 1HB PRO 23 0.706 24.025 16.438
173 2HB PRO 23 2HB PRO 23 0.742 22.522 15.514
174 1HG PRO 23 1HG PRO 23 -0.833 24.858 15.000
175 2HG PRO 23 2HG PRO 23 -0.829 23.338 14.102
176 1HD PRO 23 1HD PRO 23 -2.874 24.368 15.867
177 2HD PRO 23 2HD PRO 23 -2.901 22.866 14.915
178 H GLN 24 H GLN 24 -0.921 21.548 19.529
179 HA GLN 24 HA GLN 24 0.021 24.049 20.886
180 1HB GLN 24 1HB GLN 24 -2.257 23.567 21.415
181 2HB GLN 24 2HB GLN 24 -1.922 21.846 21.605
182 1HG GLN 24 1HG GLN 24 -0.504 22.354 23.576
183 2HG GLN 24 2HG GLN 24 -0.888 24.065 23.397
184 2HE2 GLN 24 2HE2 GLN 24 -2.590 20.894 23.726
185 1HE2 GLN 24 1HE2 GLN 24 -3.865 21.512 24.662
186 H ASP 25 H ASP 25 -0.328 20.760 22.150
187 HA ASP 25 HA ASP 25 2.629 20.515 22.430
188 1HB ASP 25 1HB ASP 25 1.706 21.676 24.428
189 2HB ASP 25 2HB ASP 25 0.611 20.318 24.692
190 H LYS 26 H LYS 26 1.672 18.921 20.647
191 HA LYS 26 HA LYS 26 0.139 16.643 21.300
192 1HB LYS 26 1HB LYS 26 2.291 17.323 19.321
193 2HB LYS 26 2HB LYS 26 1.671 15.674 19.390
194 1HG LYS 26 1HG LYS 26 -0.553 16.385 18.894
195 2HG LYS 26 2HG LYS 26 -0.155 18.077 19.189
196 1HD LYS 26 1HD LYS 26 -0.044 18.049 16.877
197 2HD LYS 26 2HD LYS 26 1.624 17.621 17.257
198 1HE LYS 26 1HE LYS 26 1.066 15.221 17.033
199 2HE LYS 26 2HE LYS 26 -0.613 15.650 16.653
200 1HZ LYS 26 1HZ LYS 26 1.577 16.948 15.177
201 2HZ LYS 26 2HZ LYS 26 1.130 15.370 14.742
202 3HZ LYS 26 3HZ LYS 26 -0.014 16.624 14.676
203 H LYS 27 H LYS 27 3.295 17.476 22.397
204 HA LYS 27 HA LYS 27 4.754 15.159 22.673
205 1HB LYS 27 1HB LYS 27 4.102 17.365 24.637
206 2HB LYS 27 2HB LYS 27 5.335 16.152 24.967
207 1HG LYS 27 1HG LYS 27 6.529 16.784 22.913
208 2HG LYS 27 2HG LYS 27 5.281 17.974 22.542
209 1HD LYS 27 1HD LYS 27 5.801 19.123 24.702
210 2HD LYS 27 2HD LYS 27 7.120 17.980 24.956
211 1HE LYS 27 1HE LYS 27 8.178 18.739 22.841
212 2HE LYS 27 2HE LYS 27 6.862 19.907 22.616
213 1HZ LYS 27 1HZ LYS 27 8.570 19.742 25.047
214 2HZ LYS 27 2HZ LYS 27 8.822 20.850 23.785
215 3HZ LYS 27 3HZ LYS 27 7.400 20.925 24.706
216 H PHE 28 H PHE 28 1.670 15.867 24.208
217 HA PHE 28 HA PHE 28 1.649 14.005 26.330
218 1HB PHE 28 1HB PHE 28 -0.609 14.701 24.425
219 2HB PHE 28 2HB PHE 28 -0.768 14.182 26.103
220 HD1 PHE 28 HD1 PHE 28 1.261 15.693 27.523
221 HD2 PHE 28 HD2 PHE 28 -1.286 16.939 24.296
222 HE1 PHE 28 HE1 PHE 28 1.461 18.050 28.272
223 HE2 PHE 28 HE2 PHE 28 -1.087 19.293 25.045
224 HZ PHE 28 HZ PHE 28 0.287 19.849 27.034
225 H PHE 29 H PHE 29 1.753 13.423 22.923
226 HA PHE 29 HA PHE 29 0.404 11.076 22.419
227 1HB PHE 29 1HB PHE 29 1.983 12.360 20.930
228 2HB PHE 29 2HB PHE 29 3.324 11.579 21.766
229 HD1 PHE 29 HD1 PHE 29 3.078 8.919 21.970
230 HD2 PHE 29 HD2 PHE 29 1.173 11.358 18.991
231 HE1 PHE 29 HE1 PHE 29 2.829 6.934 20.504
232 HE2 PHE 29 HE2 PHE 29 0.925 9.372 17.525
233 HZ PHE 29 HZ PHE 29 1.753 7.161 18.282
234 H GLN 30 H GLN 30 3.128 11.478 24.591
235 HA GLN 30 HA GLN 30 3.902 8.726 24.832
236 1HB GLN 30 1HB GLN 30 5.167 9.553 26.693
237 2HB GLN 30 2HB GLN 30 5.099 10.877 25.529
238 1HG GLN 30 1HG GLN 30 3.159 11.827 26.768
239 2HG GLN 30 2HG GLN 30 3.318 10.539 27.961
240 2HE2 GLN 30 2HE2 GLN 30 4.057 13.712 27.599
241 1HE2 GLN 30 1HE2 GLN 30 5.495 13.795 28.499
242 H SER 31 H SER 31 0.997 10.217 25.709
243 HA SER 31 HA SER 31 0.430 8.032 27.681
244 1HB SER 31 1HB SER 31 -0.848 9.718 28.969
245 2HB SER 31 2HB SER 31 0.838 10.204 28.795
246 HG SER 31 HG SER 31 0.278 11.668 27.279
247 H LEU 32 H LEU 32 -1.810 7.327 27.667
248 HA LEU 32 HA LEU 32 -3.079 7.085 25.176
249 1HB LEU 32 1HB LEU 32 -3.438 5.963 27.517
250 2HB LEU 32 2HB LEU 32 -4.623 7.248 27.751
251 HG LEU 32 HG LEU 32 -4.662 5.619 25.223
252 1HD1 LEU 32 1HD1 LEU 32 -5.479 4.772 27.973
253 2HD1 LEU 32 2HD1 LEU 32 -6.524 4.328 26.624
254 3HD1 LEU 32 3HD1 LEU 32 -4.841 3.803 26.646
255 1HD2 LEU 32 1HD2 LEU 32 -6.550 7.335 26.814
256 2HD2 LEU 32 2HD2 LEU 32 -6.165 7.406 25.093
257 3HD2 LEU 32 3HD2 LEU 32 -7.193 6.116 25.715
258 H ASP 33 H ASP 33 -3.880 9.398 27.781
259 HA ASP 33 HA ASP 33 -5.962 10.795 26.486
260 1HB ASP 33 1HB ASP 33 -3.762 11.701 28.373
261 2HB ASP 33 2HB ASP 33 -5.177 12.680 27.986
262 H GLY 34 H GLY 34 -2.450 11.126 26.205
263 1HA GLY 34 1HA GLY 34 -1.151 12.395 24.706
264 2HA GLY 34 2HA GLY 34 -2.547 13.443 24.472
265 H ILE 35 H ILE 35 -2.038 9.964 23.906
266 HA ILE 35 HA ILE 35 -1.900 10.014 21.084
267 HB ILE 35 HB ILE 35 -2.721 8.079 23.220
268 1HG1 ILE 35 1HG1 ILE 35 -0.358 8.397 22.683
269 2HG1 ILE 35 2HG1 ILE 35 -0.863 6.787 22.167
270 1HG2 ILE 35 1HG2 ILE 35 -3.368 7.825 20.296
271 2HG2 ILE 35 2HG2 ILE 35 -2.897 6.387 21.203
272 3HG2 ILE 35 3HG2 ILE 35 -4.315 7.315 21.694
273 1HD1 ILE 35 1HD1 ILE 35 -1.409 8.563 20.013
274 2HD1 ILE 35 2HD1 ILE 35 0.228 8.913 20.571
275 3HD1 ILE 35 3HD1 ILE 35 -0.201 7.277 20.072
276 H MET 36 H MET 36 -4.678 10.181 23.262
277 HA MET 36 HA MET 36 -6.659 9.900 21.129
278 1HB MET 36 1HB MET 36 -6.565 10.477 24.057
279 2HB MET 36 2HB MET 36 -8.020 10.950 23.179
280 1HG MET 36 1HG MET 36 -6.788 8.175 23.170
281 2HG MET 36 2HG MET 36 -8.222 8.651 24.081
282 1HE MET 36 1HE MET 36 -10.316 8.618 23.470
283 2HE MET 36 2HE MET 36 -10.328 10.084 22.492
284 3HE MET 36 3HE MET 36 -11.063 8.610 21.866
285 H PHE 37 H PHE 37 -5.974 12.659 23.329
286 HA PHE 37 HA PHE 37 -7.355 14.647 21.960
287 1HB PHE 37 1HB PHE 37 -6.413 15.770 23.683
288 2HB PHE 37 2HB PHE 37 -5.346 14.400 23.977
289 HD1 PHE 37 HD1 PHE 37 -3.097 14.315 22.936
290 HD2 PHE 37 HD2 PHE 37 -5.631 17.754 22.557
291 HE1 PHE 37 HE1 PHE 37 -1.154 15.658 22.198
292 HE2 PHE 37 HE2 PHE 37 -3.687 19.103 21.812
293 HZ PHE 37 HZ PHE 37 -1.450 18.047 21.631
294 H ILE 38 H ILE 38 -3.960 13.642 21.341
295 HA ILE 38 HA ILE 38 -3.359 15.346 19.194
296 HB ILE 38 HB ILE 38 -2.669 12.462 19.809
297 1HG1 ILE 38 1HG1 ILE 38 -1.305 15.139 20.183
298 2HG1 ILE 38 2HG1 ILE 38 -1.766 13.975 21.425
299 1HG2 ILE 38 1HG2 ILE 38 -2.472 12.974 17.348
300 2HG2 ILE 38 2HG2 ILE 38 -1.330 14.254 17.762
301 3HG2 ILE 38 3HG2 ILE 38 -0.938 12.572 18.120
302 1HD1 ILE 38 1HD1 ILE 38 -0.153 12.447 19.815
303 2HD1 ILE 38 2HD1 ILE 38 0.620 14.028 19.695
304 3HD1 ILE 38 3HD1 ILE 38 0.391 13.276 21.274
305 H ASN 39 H ASN 39 -5.204 12.310 19.206
306 HA ASN 39 HA ASN 39 -5.551 12.168 16.335
307 1HB ASN 39 1HB ASN 39 -6.844 10.959 18.777
308 2HB ASN 39 2HB ASN 39 -7.491 10.632 17.170
309 2HD2 ASN 39 2HD2 ASN 39 -5.948 8.847 19.149
310 1HD2 ASN 39 1HD2 ASN 39 -4.667 8.222 18.228
311 H LYS 40 H LYS 40 -7.369 13.646 18.982
312 HA LYS 40 HA LYS 40 -9.627 14.403 17.267
313 1HB LYS 40 1HB LYS 40 -8.750 15.023 20.101
314 2HB LYS 40 2HB LYS 40 -10.247 15.643 19.405
315 1HG LYS 40 1HG LYS 40 -11.043 13.370 18.997
316 2HG LYS 40 2HG LYS 40 -9.514 12.704 19.569
317 1HD LYS 40 1HD LYS 40 -10.614 12.563 21.565
318 2HD LYS 40 2HD LYS 40 -10.200 14.274 21.689
319 1HE LYS 40 1HE LYS 40 -12.370 14.920 20.789
320 2HE LYS 40 2HE LYS 40 -12.779 13.226 20.464
321 1HZ LYS 40 1HZ LYS 40 -11.959 14.140 23.159
322 2HZ LYS 40 2HZ LYS 40 -13.579 14.223 22.664
323 3HZ LYS 40 3HZ LYS 40 -12.789 12.720 22.734
324 H CYS 41 H CYS 41 -6.548 15.753 18.152
325 HA CYS 41 HA CYS 41 -6.909 18.517 18.025
326 1HB CYS 41 1HB CYS 41 -4.813 16.903 18.212
327 2HB CYS 41 2HB CYS 41 -4.693 17.209 16.479
328 H ALA 42 H ALA 42 -5.980 16.566 15.162
329 HA ALA 42 HA ALA 42 -6.696 18.607 13.267
330 1HB ALA 42 1HB ALA 42 -6.010 15.690 13.267
331 2HB ALA 42 2HB ALA 42 -5.179 17.031 12.478
332 3HB ALA 42 3HB ALA 42 -6.671 16.390 11.790
333 H THR 43 H THR 43 -8.468 15.907 14.710
334 HA THR 43 HA THR 43 -10.715 15.908 12.920
335 HB THR 43 HB THR 43 -10.581 15.203 15.867
336 HG1 THR 43 HG1 THR 43 -9.987 13.141 15.062
337 1HG2 THR 43 1HG2 THR 43 -12.596 14.941 13.787
338 2HG2 THR 43 2HG2 THR 43 -12.153 13.372 14.456
339 3HG2 THR 43 3HG2 THR 43 -12.737 14.651 15.521
340 H CYS 44 H CYS 44 -10.466 17.272 16.235
341 HA CYS 44 HA CYS 44 -12.921 18.671 16.245
342 1HB CYS 44 1HB CYS 44 -10.245 19.343 17.514
343 2HB CYS 44 2HB CYS 44 -11.796 20.010 18.022
344 H LYS 45 H LYS 45 -9.771 19.608 14.914
345 HA LYS 45 HA LYS 45 -10.254 22.359 14.424
346 1HB LYS 45 1HB LYS 45 -8.078 21.284 14.212
347 2HB LYS 45 2HB LYS 45 -8.675 20.257 12.908
348 1HG LYS 45 1HG LYS 45 -9.300 22.665 11.873
349 2HG LYS 45 2HG LYS 45 -7.917 23.138 12.860
350 1HD LYS 45 1HD LYS 45 -6.597 21.289 11.796
351 2HD LYS 45 2HD LYS 45 -7.968 20.979 10.730
352 1HE LYS 45 1HE LYS 45 -7.752 23.102 9.662
353 2HE LYS 45 2HE LYS 45 -6.692 23.720 10.942
354 1HZ LYS 45 1HZ LYS 45 -5.083 21.985 10.364
355 2HZ LYS 45 2HZ LYS 45 -6.087 21.459 9.102
356 3HZ LYS 45 3HZ LYS 45 -5.384 23.005 9.038
357 H MET 46 H MET 46 -10.777 19.579 12.206
358 HA MET 46 HA MET 46 -11.892 21.059 10.055
359 1HB MET 46 1HB MET 46 -12.647 18.885 9.302
360 2HB MET 46 2HB MET 46 -11.095 18.667 10.106
361 1HG MET 46 1HG MET 46 -12.018 17.275 11.610
362 2HG MET 46 2HG MET 46 -13.226 18.482 12.042
363 1HE MET 46 1HE MET 46 -15.312 18.973 10.782
364 2HE MET 46 2HE MET 46 -14.616 18.980 9.164
365 3HE MET 46 3HE MET 46 -16.038 17.995 9.499
366 H ILE 47 H ILE 47 -13.278 20.099 13.108
367 HA ILE 47 HA ILE 47 -16.054 20.159 12.474
368 HB ILE 47 HB ILE 47 -14.624 21.063 14.996
369 1HG1 ILE 47 1HG1 ILE 47 -13.793 18.883 14.428
370 2HG1 ILE 47 2HG1 ILE 47 -15.026 18.641 15.666
371 1HG2 ILE 47 1HG2 ILE 47 -17.120 21.521 14.753
372 2HG2 ILE 47 2HG2 ILE 47 -17.346 19.773 14.698
373 3HG2 ILE 47 3HG2 ILE 47 -16.662 20.529 16.137
374 1HD1 ILE 47 1HD1 ILE 47 -16.691 18.228 13.821
375 2HD1 ILE 47 2HD1 ILE 47 -15.355 18.286 12.672
376 3HD1 ILE 47 3HD1 ILE 47 -15.407 17.022 13.901
377 H LEU 48 H LEU 48 -13.757 22.760 13.218
378 HA LEU 48 HA LEU 48 -15.788 24.856 13.279
379 1HB LEU 48 1HB LEU 48 -12.766 24.734 13.156
380 2HB LEU 48 2HB LEU 48 -13.639 26.266 13.178
381 HG LEU 48 HG LEU 48 -13.030 25.691 15.458
382 1HD1 LEU 48 1HD1 LEU 48 -15.584 26.286 14.607
383 2HD1 LEU 48 2HD1 LEU 48 -15.850 24.876 15.634
384 3HD1 LEU 48 3HD1 LEU 48 -15.051 26.306 16.288
385 1HD2 LEU 48 1HD2 LEU 48 -12.928 23.175 14.860
386 2HD2 LEU 48 2HD2 LEU 48 -13.506 23.604 16.469
387 3HD2 LEU 48 3HD2 LEU 48 -14.657 23.161 15.208
388 H GLU 49 H GLU 49 -13.431 23.637 10.902
389 HA GLU 49 HA GLU 49 -13.777 25.603 8.883
390 1HB GLU 49 1HB GLU 49 -13.246 22.618 8.716
391 2HB GLU 49 2HB GLU 49 -12.949 23.765 7.410
392 1HG GLU 49 1HG GLU 49 -11.453 25.041 9.015
393 2HG GLU 49 2HG GLU 49 -11.611 23.680 10.126
394 H LYS 50 H LYS 50 -15.849 22.960 9.881
395 HA LYS 50 HA LYS 50 -17.457 22.837 7.470
396 1HB LYS 50 1HB LYS 50 -17.848 21.991 10.355
397 2HB LYS 50 2HB LYS 50 -18.991 21.596 9.072
398 1HG LYS 50 1HG LYS 50 -16.048 20.927 8.873
399 2HG LYS 50 2HG LYS 50 -17.219 19.820 9.589
400 1HD LYS 50 1HD LYS 50 -18.571 20.091 7.429
401 2HD LYS 50 2HD LYS 50 -17.135 20.856 6.750
402 1HE LYS 50 1HE LYS 50 -15.821 18.795 7.389
403 2HE LYS 50 2HE LYS 50 -17.357 18.029 7.842
404 1HZ LYS 50 1HZ LYS 50 -18.192 18.639 5.600
405 2HZ LYS 50 2HZ LYS 50 -16.634 19.165 5.188
406 3HZ LYS 50 3HZ LYS 50 -16.908 17.528 5.550
407 H GLU 51 H GLU 51 -17.698 24.606 10.548
408 HA GLU 51 HA GLU 51 -20.328 25.679 10.146
409 1HB GLU 51 1HB GLU 51 -19.048 25.581 12.284
410 2HB GLU 51 2HB GLU 51 -17.941 26.799 11.650
411 1HG GLU 51 1HG GLU 51 -19.889 28.344 11.355
412 2HG GLU 51 2HG GLU 51 -20.916 27.138 12.131
413 H ALA 52 H ALA 52 -17.142 26.659 9.013
414 HA ALA 52 HA ALA 52 -18.011 29.297 8.091
415 1HB ALA 52 1HB ALA 52 -15.643 28.125 8.751
416 2HB ALA 52 2HB ALA 52 -15.579 27.999 6.992
417 3HB ALA 52 3HB ALA 52 -15.759 29.578 7.757
418 H LYS 53 H LYS 53 -17.946 26.055 6.808
419 HA LYS 53 HA LYS 53 -18.395 25.222 4.630
420 1HB LYS 53 1HB LYS 53 -20.266 27.604 4.843
421 2HB LYS 53 2HB LYS 53 -20.497 26.204 3.795
422 1HG LYS 53 1HG LYS 53 -20.606 24.731 5.761
423 2HG LYS 53 2HG LYS 53 -20.330 26.111 6.823
424 1HD LYS 53 1HD LYS 53 -22.647 25.989 4.881
425 2HD LYS 53 2HD LYS 53 -22.767 25.402 6.539
426 1HE LYS 53 1HE LYS 53 -22.023 27.675 7.334
427 2HE LYS 53 2HE LYS 53 -22.114 28.235 5.653
428 1HZ LYS 53 1HZ LYS 53 -24.357 26.799 6.951
429 2HZ LYS 53 2HZ LYS 53 -24.203 28.487 7.069
430 3HZ LYS 53 3HZ LYS 53 -24.391 27.751 5.549
431 H SER 54 H SER 54 -16.103 26.833 4.538
432 HA SER 54 HA SER 54 -16.306 28.968 2.587
433 1HB SER 54 1HB SER 54 -13.839 28.805 2.672
434 2HB SER 54 2HB SER 54 -14.525 28.741 4.295
435 HG SER 54 HG SER 54 -12.878 27.100 3.641
436 H GLN 55 H GLN 55 -16.145 25.509 2.377
437 HA GLN 55 HA GLN 55 -15.026 25.391 -0.322
438 1HB GLN 55 1HB GLN 55 -16.497 23.425 1.462
439 2HB GLN 55 2HB GLN 55 -15.736 22.990 -0.068
440 1HG GLN 55 1HG GLN 55 -14.201 24.379 2.131
441 2HG GLN 55 2HG GLN 55 -14.345 22.623 2.068
442 2HE2 GLN 55 2HE2 GLN 55 -11.905 22.710 1.704
443 1HE2 GLN 55 1HE2 GLN 55 -11.338 22.977 0.126
No H/Q in entry = 443
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -26.190 10.630 22.121
2 H2 LYS 1 H2 LYS 1 -25.350 11.093 23.519
3 H3 LYS 1 H3 LYS 1 -26.898 11.723 23.212
4 HA LYS 1 HA LYS 1 -26.159 13.218 21.667
5 1HB LYS 1 1HB LYS 1 -23.871 12.563 23.544
6 2HB LYS 1 2HB LYS 1 -23.925 14.026 22.562
7 1HG LYS 1 1HG LYS 1 -26.096 14.625 23.616
8 2HG LYS 1 2HG LYS 1 -25.976 13.190 24.636
9 1HD LYS 1 1HD LYS 1 -23.941 14.029 25.666
10 2HD LYS 1 2HD LYS 1 -23.900 15.399 24.556
11 1HE LYS 1 1HE LYS 1 -26.078 16.189 25.489
12 2HE LYS 1 2HE LYS 1 -26.034 14.850 26.652
13 1HZ LYS 1 1HZ LYS 1 -23.840 15.638 27.374
14 2HZ LYS 1 2HZ LYS 1 -23.957 16.956 26.312
15 3HZ LYS 1 3HZ LYS 1 -25.034 16.822 27.619
16 H ASN 2 H ASN 2 -25.292 13.370 19.617
17 HA ASN 2 HA ASN 2 -23.800 11.082 18.539
18 1HB ASN 2 1HB ASN 2 -24.709 13.727 17.356
19 2HB ASN 2 2HB ASN 2 -24.098 12.359 16.428
20 2HD2 ASN 2 2HD2 ASN 2 -25.371 10.190 17.641
21 1HD2 ASN 2 1HD2 ASN 2 -27.055 10.345 17.492
22 H GLU 3 H GLU 3 -21.730 11.391 17.376
23 HA GLU 3 HA GLU 3 -19.773 12.840 18.913
24 1HB GLU 3 1HB GLU 3 -19.822 11.444 16.230
25 2HB GLU 3 2HB GLU 3 -18.349 12.168 16.875
26 1HG GLU 3 1HG GLU 3 -18.531 10.772 18.892
27 2HG GLU 3 2HG GLU 3 -20.029 10.069 18.282
28 H ASP 4 H ASP 4 -21.725 13.666 16.124
29 HA ASP 4 HA ASP 4 -20.099 15.891 15.207
30 1HB ASP 4 1HB ASP 4 -22.941 14.938 14.814
31 2HB ASP 4 2HB ASP 4 -22.347 16.410 14.044
32 H GLN 5 H GLN 5 -22.351 15.442 17.797
33 HA GLN 5 HA GLN 5 -23.196 18.223 18.038
34 1HB GLN 5 1HB GLN 5 -24.455 16.208 18.832
35 2HB GLN 5 2HB GLN 5 -23.196 15.937 20.037
36 1HG GLN 5 1HG GLN 5 -23.750 17.882 21.236
37 2HG GLN 5 2HG GLN 5 -24.584 18.603 19.859
38 2HE2 GLN 5 2HE2 GLN 5 -25.845 18.326 22.439
39 1HE2 GLN 5 1HE2 GLN 5 -27.121 17.217 22.283
40 H GLU 6 H GLU 6 -21.192 19.428 18.113
41 HA GLU 6 HA GLU 6 -19.432 20.504 19.270
42 1HB GLU 6 1HB GLU 6 -20.493 18.997 21.672
43 2HB GLU 6 2HB GLU 6 -19.693 20.568 21.649
44 1HG GLU 6 1HG GLU 6 -21.582 21.574 20.503
45 2HG GLU 6 2HG GLU 6 -22.359 20.001 20.320
46 H MET 7 H MET 7 -18.897 17.974 17.978
47 HA MET 7 HA MET 7 -17.621 15.945 19.344
48 1HB MET 7 1HB MET 7 -17.870 16.469 16.821
49 2HB MET 7 2HB MET 7 -16.346 17.340 16.986
50 1HG MET 7 1HG MET 7 -15.453 15.177 18.087
51 2HG MET 7 2HG MET 7 -16.880 14.398 17.401
52 1HE MET 7 1HE MET 7 -17.631 15.320 14.960
53 2HE MET 7 2HE MET 7 -16.583 14.748 13.665
54 3HE MET 7 3HE MET 7 -17.088 13.638 14.936
55 H CYS 8 H CYS 8 -16.460 19.259 18.924
56 HA CYS 8 HA CYS 8 -13.828 18.664 20.109
57 1HB CYS 8 1HB CYS 8 -15.281 21.164 19.196
58 2HB CYS 8 2HB CYS 8 -13.641 21.187 19.843
59 H HIS 9 H HIS 9 -13.420 18.777 22.287
60 HA HIS 9 HA HIS 9 -15.289 20.362 24.008
61 1HB HIS 9 1HB HIS 9 -15.959 18.030 24.101
62 2HB HIS 9 2HB HIS 9 -14.292 17.520 24.361
63 HD1 HIS 9 HD1 HIS 9 -16.744 19.910 26.067
64 HD2 HIS 9 HD2 HIS 9 -13.776 17.151 27.040
65 HE1 HIS 9 HE1 HIS 9 -16.644 19.829 28.596
66 H GLU 10 H GLU 10 -12.128 18.742 23.715
67 HA GLU 10 HA GLU 10 -11.063 20.286 26.012
68 1HB GLU 10 1HB GLU 10 -9.189 18.779 25.791
69 2HB GLU 10 2HB GLU 10 -10.652 17.820 25.562
70 1HG GLU 10 1HG GLU 10 -10.392 17.930 23.139
71 2HG GLU 10 2HG GLU 10 -9.005 19.006 23.307
72 H PHE 11 H PHE 11 -10.829 20.145 22.485
73 HA PHE 11 HA PHE 11 -8.546 21.939 22.291
74 1HB PHE 11 1HB PHE 11 -10.675 20.942 20.393
75 2HB PHE 11 2HB PHE 11 -9.351 21.979 19.874
76 HD1 PHE 11 HD1 PHE 11 -7.016 21.189 19.950
77 HD2 PHE 11 HD2 PHE 11 -10.292 18.624 21.015
78 HE1 PHE 11 HE1 PHE 11 -5.530 19.214 19.765
79 HE2 PHE 11 HE2 PHE 11 -8.805 16.652 20.832
80 HZ PHE 11 HZ PHE 11 -6.424 16.946 20.207
81 H GLN 12 H GLN 12 -12.004 22.349 22.621
82 HA GLN 12 HA GLN 12 -12.547 24.803 21.444
83 1HB GLN 12 1HB GLN 12 -14.081 23.356 22.808
84 2HB GLN 12 2HB GLN 12 -13.293 23.964 24.265
85 1HG GLN 12 1HG GLN 12 -13.967 26.245 23.729
86 2HG GLN 12 2HG GLN 12 -14.643 25.717 22.189
87 2HE2 GLN 12 2HE2 GLN 12 -16.340 27.018 24.023
88 1HE2 GLN 12 1HE2 GLN 12 -17.443 25.900 24.666
89 H ALA 13 H ALA 13 -10.995 24.295 24.629
90 HA ALA 13 HA ALA 13 -10.606 27.016 25.323
91 1HB ALA 13 1HB ALA 13 -8.382 25.398 26.143
92 2HB ALA 13 2HB ALA 13 -9.773 25.903 27.104
93 3HB ALA 13 3HB ALA 13 -9.838 24.402 26.179
94 H PHE 14 H PHE 14 -9.088 25.084 22.870
95 HA PHE 14 HA PHE 14 -6.728 26.859 22.657
96 1HB PHE 14 1HB PHE 14 -7.650 24.530 20.946
97 2HB PHE 14 2HB PHE 14 -6.027 25.205 21.024
98 HD1 PHE 14 HD1 PHE 14 -6.685 25.605 24.244
99 HD2 PHE 14 HD2 PHE 14 -6.419 22.337 21.469
100 HE1 PHE 14 HE1 PHE 14 -6.138 24.065 26.109
101 HE2 PHE 14 HE2 PHE 14 -5.874 20.798 23.331
102 HZ PHE 14 HZ PHE 14 -5.733 21.661 25.654
103 H MET 15 H MET 15 -9.792 27.432 21.875
104 HA MET 15 HA MET 15 -9.355 28.199 19.042
105 1HB MET 15 1HB MET 15 -11.728 28.322 18.974
106 2HB MET 15 2HB MET 15 -11.381 26.944 20.008
107 1HG MET 15 1HG MET 15 -11.540 28.581 21.977
108 2HG MET 15 2HG MET 15 -12.241 29.721 20.832
109 1HE MET 15 1HE MET 15 -13.722 28.022 18.839
110 2HE MET 15 2HE MET 15 -15.352 27.897 19.494
111 3HE MET 15 3HE MET 15 -14.472 29.428 19.589
112 H LYS 16 H LYS 16 -8.550 30.219 18.695
113 HA LYS 16 HA LYS 16 -8.957 32.348 20.731
114 1HB LYS 16 1HB LYS 16 -6.697 31.777 19.821
115 2HB LYS 16 2HB LYS 16 -7.260 32.239 18.215
116 1HG LYS 16 1HG LYS 16 -7.965 34.394 19.859
117 2HG LYS 16 2HG LYS 16 -6.353 33.929 20.403
118 1HD LYS 16 1HD LYS 16 -5.822 33.831 17.829
119 2HD LYS 16 2HD LYS 16 -7.238 34.873 17.691
120 1HE LYS 16 1HE LYS 16 -6.240 36.576 19.039
121 2HE LYS 16 2HE LYS 16 -4.968 35.479 19.610
122 1HZ LYS 16 1HZ LYS 16 -5.372 36.039 16.729
123 2HZ LYS 16 2HZ LYS 16 -4.390 37.037 17.686
124 3HZ LYS 16 3HZ LYS 16 -4.000 35.394 17.496
125 H ASN 17 H ASN 17 -11.211 32.784 20.208
126 HA ASN 17 HA ASN 17 -12.909 33.977 19.096
127 1HB ASN 17 1HB ASN 17 -10.481 35.106 17.668
128 2HB ASN 17 2HB ASN 17 -12.080 35.847 17.714
129 2HD2 ASN 17 2HD2 ASN 17 -9.136 36.228 19.080
130 1HD2 ASN 17 1HD2 ASN 17 -9.577 36.762 20.629
131 H GLY 18 H GLY 18 -12.651 31.421 18.142
132 1HA GLY 18 1HA GLY 18 -13.363 31.791 15.298
133 2HA GLY 18 2HA GLY 18 -13.667 30.345 16.256
134 H LYS 19 H LYS 19 -10.477 31.603 16.548
135 HA LYS 19 HA LYS 19 -9.448 29.866 14.358
136 1HB LYS 19 1HB LYS 19 -8.789 32.317 14.837
137 2HB LYS 19 2HB LYS 19 -7.885 31.673 16.209
138 1HG LYS 19 1HG LYS 19 -7.527 30.859 13.306
139 2HG LYS 19 2HG LYS 19 -6.426 31.873 14.236
140 1HD LYS 19 1HD LYS 19 -6.246 29.923 15.884
141 2HD LYS 19 2HD LYS 19 -7.059 28.944 14.662
142 1HE LYS 19 1HE LYS 19 -4.752 30.561 13.698
143 2HE LYS 19 2HE LYS 19 -4.365 29.193 14.759
144 1HZ LYS 19 1HZ LYS 19 -5.870 27.823 13.374
145 2HZ LYS 19 2HZ LYS 19 -6.045 29.131 12.302
146 3HZ LYS 19 3HZ LYS 19 -4.528 28.400 12.506
147 H LEU 20 H LEU 20 -9.075 27.765 14.979
148 HA LEU 20 HA LEU 20 -8.319 27.179 17.794
149 1HB LEU 20 1HB LEU 20 -10.132 26.008 16.347
150 2HB LEU 20 2HB LEU 20 -8.776 25.216 15.545
151 HG LEU 20 HG LEU 20 -9.396 25.137 18.514
152 1HD1 LEU 20 1HD1 LEU 20 -10.042 23.422 16.218
153 2HD1 LEU 20 2HD1 LEU 20 -9.264 22.555 17.543
154 3HD1 LEU 20 3HD1 LEU 20 -10.755 23.454 17.830
155 1HD2 LEU 20 1HD2 LEU 20 -7.067 24.158 16.869
156 2HD2 LEU 20 2HD2 LEU 20 -7.042 25.074 18.377
157 3HD2 LEU 20 3HD2 LEU 20 -7.500 23.370 18.386
158 H PHE 21 H PHE 21 -6.176 26.911 18.289
159 HA PHE 21 HA PHE 21 -4.261 26.411 16.047
160 1HB PHE 21 1HB PHE 21 -2.625 27.085 17.992
161 2HB PHE 21 2HB PHE 21 -3.584 28.331 17.201
162 HD1 PHE 21 HD1 PHE 21 -3.312 26.196 20.222
163 HD2 PHE 21 HD2 PHE 21 -5.330 29.499 18.362
164 HE1 PHE 21 HE1 PHE 21 -4.339 26.794 22.398
165 HE2 PHE 21 HE2 PHE 21 -6.355 30.098 20.539
166 HZ PHE 21 HZ PHE 21 -5.859 28.747 22.557
167 H CYS 22 H CYS 22 -5.093 24.102 16.166
168 HA CYS 22 HA CYS 22 -4.865 22.309 18.274
169 1HB CYS 22 1HB CYS 22 -5.204 22.257 15.513
170 2HB CYS 22 2HB CYS 22 -3.763 21.273 15.772
171 HA PRO 23 HA PRO 23 -0.184 21.600 17.172
172 1HB PRO 23 1HB PRO 23 0.780 24.070 16.047
173 2HB PRO 23 2HB PRO 23 0.745 22.469 15.301
174 1HG PRO 23 1HG PRO 23 -0.886 24.735 14.664
175 2HG PRO 23 2HG PRO 23 -0.957 23.121 13.953
176 1HD PRO 23 1HD PRO 23 -2.835 24.363 15.769
177 2HD PRO 23 2HD PRO 23 -2.950 22.762 15.002
178 H GLN 24 H GLN 24 -0.570 21.951 19.521
179 HA GLN 24 HA GLN 24 0.709 24.480 20.505
180 1HB GLN 24 1HB GLN 24 -1.614 24.589 21.031
181 2HB GLN 24 2HB GLN 24 -1.672 22.881 21.463
182 1HG GLN 24 1HG GLN 24 -0.051 23.430 23.353
183 2HG GLN 24 2HG GLN 24 -0.345 25.131 22.995
184 2HE2 GLN 24 2HE2 GLN 24 -2.073 22.098 23.870
185 1HE2 GLN 24 1HE2 GLN 24 -3.361 22.879 24.653
186 H ASP 25 H ASP 25 -0.342 21.559 22.211
187 HA ASP 25 HA ASP 25 2.525 20.900 22.782
188 1HB ASP 25 1HB ASP 25 1.070 22.217 24.546
189 2HB ASP 25 2HB ASP 25 0.359 20.632 24.850
190 H LYS 26 H LYS 26 2.010 19.257 21.033
191 HA LYS 26 HA LYS 26 0.019 17.213 21.430
192 1HB LYS 26 1HB LYS 26 2.430 17.699 19.728
193 2HB LYS 26 2HB LYS 26 1.769 16.065 19.775
194 1HG LYS 26 1HG LYS 26 -0.375 16.816 19.007
195 2HG LYS 26 2HG LYS 26 0.061 18.508 19.246
196 1HD LYS 26 1HD LYS 26 2.013 17.915 17.562
197 2HD LYS 26 2HD LYS 26 0.920 16.614 17.086
198 1HE LYS 26 1HE LYS 26 -0.894 18.357 16.790
199 2HE LYS 26 2HE LYS 26 0.348 19.597 17.043
200 1HZ LYS 26 1HZ LYS 26 1.635 18.147 15.312
201 2HZ LYS 26 2HZ LYS 26 0.081 17.642 14.859
202 3HZ LYS 26 3HZ LYS 26 0.495 19.288 14.781
203 H LYS 27 H LYS 27 2.788 17.825 23.225
204 HA LYS 27 HA LYS 27 4.196 15.503 23.657
205 1HB LYS 27 1HB LYS 27 2.966 17.431 25.649
206 2HB LYS 27 2HB LYS 27 4.229 16.273 26.062
207 1HG LYS 27 1HG LYS 27 4.499 18.334 23.859
208 2HG LYS 27 2HG LYS 27 5.090 18.578 25.502
209 1HD LYS 27 1HD LYS 27 6.515 16.575 25.289
210 2HD LYS 27 2HD LYS 27 5.921 16.323 23.648
211 1HE LYS 27 1HE LYS 27 6.779 18.678 23.117
212 2HE LYS 27 2HE LYS 27 7.620 18.613 24.678
213 1HZ LYS 27 1HZ LYS 27 7.796 16.415 22.696
214 2HZ LYS 27 2HZ LYS 27 8.876 17.722 22.669
215 3HZ LYS 27 3HZ LYS 27 8.806 16.710 24.031
216 H PHE 28 H PHE 28 0.810 16.062 24.413
217 HA PHE 28 HA PHE 28 0.217 14.061 26.279
218 1HB PHE 28 1HB PHE 28 -1.356 14.774 23.783
219 2HB PHE 28 2HB PHE 28 -2.012 14.166 25.302
220 HD1 PHE 28 HD1 PHE 28 -0.827 15.628 27.404
221 HD2 PHE 28 HD2 PHE 28 -1.843 17.032 23.473
222 HE1 PHE 28 HE1 PHE 28 -0.980 17.947 28.271
223 HE2 PHE 28 HE2 PHE 28 -1.998 19.349 24.341
224 HZ PHE 28 HZ PHE 28 -1.565 19.808 26.739
225 H PHE 29 H PHE 29 1.279 13.704 22.985
226 HA PHE 29 HA PHE 29 0.279 11.154 22.282
227 1HB PHE 29 1HB PHE 29 1.481 12.665 20.778
228 2HB PHE 29 2HB PHE 29 2.941 12.516 21.752
229 HD1 PHE 29 HD1 PHE 29 3.859 10.085 22.091
230 HD2 PHE 29 HD2 PHE 29 1.155 11.225 18.955
231 HE1 PHE 29 HE1 PHE 29 4.536 8.092 20.781
232 HE2 PHE 29 HE2 PHE 29 1.830 9.231 17.646
233 HZ PHE 29 HZ PHE 29 3.522 7.664 18.559
234 H GLN 30 H GLN 30 2.518 12.023 24.757
235 HA GLN 30 HA GLN 30 4.109 9.639 24.896
236 1HB GLN 30 1HB GLN 30 3.230 11.656 26.986
237 2HB GLN 30 2HB GLN 30 4.540 10.496 27.205
238 1HG GLN 30 1HG GLN 30 4.886 11.901 24.706
239 2HG GLN 30 2HG GLN 30 4.705 13.060 26.023
240 2HE2 GLN 30 2HE2 GLN 30 6.997 11.188 24.420
241 1HE2 GLN 30 1HE2 GLN 30 8.183 11.129 25.633
242 H SER 31 H SER 31 0.780 10.042 25.441
243 HA SER 31 HA SER 31 0.680 7.411 26.836
244 1HB SER 31 1HB SER 31 -1.017 8.508 28.424
245 2HB SER 31 2HB SER 31 0.674 8.950 28.659
246 HG SER 31 HG SER 31 -1.013 10.685 28.516
247 H LEU 32 H LEU 32 -1.600 6.549 26.851
248 HA LEU 32 HA LEU 32 -2.843 6.776 24.272
249 1HB LEU 32 1HB LEU 32 -2.816 4.932 26.172
250 2HB LEU 32 2HB LEU 32 -4.268 5.775 26.712
251 HG LEU 32 HG LEU 32 -3.916 4.920 23.837
252 1HD1 LEU 32 1HD1 LEU 32 -4.746 3.317 26.234
253 2HD1 LEU 32 2HD1 LEU 32 -5.547 3.023 24.691
254 3HD1 LEU 32 3HD1 LEU 32 -3.802 2.817 24.831
255 1HD2 LEU 32 1HD2 LEU 32 -6.295 5.582 25.598
256 2HD2 LEU 32 2HD2 LEU 32 -5.669 6.554 24.266
257 3HD2 LEU 32 3HD2 LEU 32 -6.420 4.991 23.941
258 H ASP 33 H ASP 33 -4.028 7.782 27.494
259 HA ASP 33 HA ASP 33 -6.356 9.143 26.632
260 1HB ASP 33 1HB ASP 33 -5.631 8.538 28.981
261 2HB ASP 33 2HB ASP 33 -4.498 9.889 28.916
262 H GLY 34 H GLY 34 -3.010 10.288 27.006
263 1HA GLY 34 1HA GLY 34 -2.008 12.304 26.301
264 2HA GLY 34 2HA GLY 34 -3.625 12.998 26.157
265 H ILE 35 H ILE 35 -2.636 10.003 24.613
266 HA ILE 35 HA ILE 35 -1.959 11.082 22.037
267 HB ILE 35 HB ILE 35 -2.648 8.456 23.280
268 1HG1 ILE 35 1HG1 ILE 35 -0.333 9.523 23.082
269 2HG1 ILE 35 2HG1 ILE 35 -0.471 7.861 22.509
270 1HG2 ILE 35 1HG2 ILE 35 -2.963 9.085 20.364
271 2HG2 ILE 35 2HG2 ILE 35 -2.288 7.523 20.828
272 3HG2 ILE 35 3HG2 ILE 35 -3.900 7.985 21.375
273 1HD1 ILE 35 1HD1 ILE 35 -0.803 8.736 20.190
274 2HD1 ILE 35 2HD1 ILE 35 -0.527 10.367 20.799
275 3HD1 ILE 35 3HD1 ILE 35 0.767 9.170 20.865
276 H MET 36 H MET 36 -5.006 9.992 23.497
277 HA MET 36 HA MET 36 -6.712 9.875 21.294
278 1HB MET 36 1HB MET 36 -6.962 10.802 24.137
279 2HB MET 36 2HB MET 36 -8.343 10.978 23.054
280 1HG MET 36 1HG MET 36 -6.843 8.382 23.516
281 2HG MET 36 2HG MET 36 -8.360 8.810 24.307
282 1HE MET 36 1HE MET 36 -10.072 10.017 22.992
283 2HE MET 36 2HE MET 36 -10.727 9.479 21.447
284 3HE MET 36 3HE MET 36 -10.901 8.458 22.872
285 H PHE 37 H PHE 37 -5.899 12.839 23.161
286 HA PHE 37 HA PHE 37 -7.375 14.727 21.763
287 1HB PHE 37 1HB PHE 37 -6.187 15.989 23.211
288 2HB PHE 37 2HB PHE 37 -5.134 14.613 23.527
289 HD1 PHE 37 HD1 PHE 37 -3.083 14.273 22.107
290 HD2 PHE 37 HD2 PHE 37 -5.449 17.846 21.917
291 HE1 PHE 37 HE1 PHE 37 -1.217 15.444 20.981
292 HE2 PHE 37 HE2 PHE 37 -3.584 19.018 20.780
293 HZ PHE 37 HZ PHE 37 -1.473 17.808 20.310
294 H ILE 38 H ILE 38 -4.145 13.478 20.797
295 HA ILE 38 HA ILE 38 -3.770 14.939 18.428
296 HB ILE 38 HB ILE 38 -3.151 12.065 19.169
297 1HG1 ILE 38 1HG1 ILE 38 -1.567 14.647 19.239
298 2HG1 ILE 38 2HG1 ILE 38 -2.072 13.671 20.618
299 1HG2 ILE 38 1HG2 ILE 38 -3.036 13.232 16.607
300 2HG2 ILE 38 2HG2 ILE 38 -1.376 13.245 17.205
301 3HG2 ILE 38 3HG2 ILE 38 -2.272 11.727 17.122
302 1HD1 ILE 38 1HD1 ILE 38 -0.594 12.086 18.673
303 2HD1 ILE 38 2HD1 ILE 38 0.354 13.457 19.248
304 3HD1 ILE 38 3HD1 ILE 38 -0.303 12.292 20.399
305 H ASN 39 H ASN 39 -5.615 11.936 18.930
306 HA ASN 39 HA ASN 39 -6.381 11.567 16.181
307 1HB ASN 39 1HB ASN 39 -7.583 10.710 18.833
308 2HB ASN 39 2HB ASN 39 -8.122 10.091 17.272
309 2HD2 ASN 39 2HD2 ASN 39 -6.482 8.898 19.692
310 1HD2 ASN 39 1HD2 ASN 39 -5.188 8.122 18.915
311 H LYS 40 H LYS 40 -7.648 13.547 18.789
312 HA LYS 40 HA LYS 40 -10.095 14.205 17.233
313 1HB LYS 40 1HB LYS 40 -10.189 13.678 19.655
314 2HB LYS 40 2HB LYS 40 -9.111 15.032 19.983
315 1HG LYS 40 1HG LYS 40 -10.786 16.565 18.939
316 2HG LYS 40 2HG LYS 40 -11.876 15.192 18.745
317 1HD LYS 40 1HD LYS 40 -10.726 16.047 21.414
318 2HD LYS 40 2HD LYS 40 -12.300 16.575 20.819
319 1HE LYS 40 1HE LYS 40 -13.047 14.224 20.677
320 2HE LYS 40 2HE LYS 40 -11.460 13.683 21.252
321 1HZ LYS 40 1HZ LYS 40 -13.243 15.580 22.696
322 2HZ LYS 40 2HZ LYS 40 -13.088 13.930 23.072
323 3HZ LYS 40 3HZ LYS 40 -11.761 14.975 23.254
324 H CYS 41 H CYS 41 -6.949 15.493 18.004
325 HA CYS 41 HA CYS 41 -7.326 18.277 17.786
326 1HB CYS 41 1HB CYS 41 -5.201 17.373 18.383
327 2HB CYS 41 2HB CYS 41 -5.135 16.371 16.937
328 H ALA 42 H ALA 42 -5.947 16.436 15.076
329 HA ALA 42 HA ALA 42 -6.667 18.287 13.054
330 1HB ALA 42 1HB ALA 42 -6.378 15.280 12.795
331 2HB ALA 42 2HB ALA 42 -6.026 16.492 11.563
332 3HB ALA 42 3HB ALA 42 -5.009 16.372 12.999
333 H THR 43 H THR 43 -8.503 15.635 14.492
334 HA THR 43 HA THR 43 -10.620 15.682 12.474
335 HB THR 43 HB THR 43 -10.440 14.506 15.270
336 HG1 THR 43 HG1 THR 43 -9.748 13.616 12.692
337 1HG2 THR 43 1HG2 THR 43 -12.729 14.863 13.898
338 2HG2 THR 43 2HG2 THR 43 -12.191 13.353 13.161
339 3HG2 THR 43 3HG2 THR 43 -12.438 13.445 14.905
340 H CYS 44 H CYS 44 -9.858 17.507 15.309
341 HA CYS 44 HA CYS 44 -12.655 18.392 15.737
342 1HB CYS 44 1HB CYS 44 -11.338 17.962 17.695
343 2HB CYS 44 2HB CYS 44 -9.980 18.893 17.066
344 H LYS 45 H LYS 45 -9.483 19.925 15.027
345 HA LYS 45 HA LYS 45 -10.361 22.551 14.544
346 1HB LYS 45 1HB LYS 45 -8.317 22.684 13.150
347 2HB LYS 45 2HB LYS 45 -8.014 21.770 14.627
348 1HG LYS 45 1HG LYS 45 -7.497 19.916 13.453
349 2HG LYS 45 2HG LYS 45 -8.986 20.031 12.517
350 1HD LYS 45 1HD LYS 45 -7.367 20.302 10.859
351 2HD LYS 45 2HD LYS 45 -7.734 21.975 11.278
352 1HE LYS 45 1HE LYS 45 -5.726 22.255 12.458
353 2HE LYS 45 2HE LYS 45 -5.545 20.514 12.751
354 1HZ LYS 45 1HZ LYS 45 -5.594 21.619 10.006
355 2HZ LYS 45 2HZ LYS 45 -4.146 21.562 10.893
356 3HZ LYS 45 3HZ LYS 45 -4.982 20.128 10.534
357 H MET 46 H MET 46 -10.790 19.676 12.613
358 HA MET 46 HA MET 46 -11.482 21.078 10.150
359 1HB MET 46 1HB MET 46 -12.029 18.809 9.401
360 2HB MET 46 2HB MET 46 -10.515 18.780 10.300
361 1HG MET 46 1HG MET 46 -11.383 17.347 11.799
362 2HG MET 46 2HG MET 46 -12.723 18.442 12.122
363 1HE MET 46 1HE MET 46 -14.673 18.777 10.502
364 2HE MET 46 2HE MET 46 -13.828 18.612 8.966
365 3HE MET 46 3HE MET 46 -15.245 17.612 9.312
366 H ILE 47 H ILE 47 -13.153 20.010 13.027
367 HA ILE 47 HA ILE 47 -15.837 19.930 12.022
368 HB ILE 47 HB ILE 47 -14.817 20.746 14.765
369 1HG1 ILE 47 1HG1 ILE 47 -13.730 18.682 14.205
370 2HG1 ILE 47 2HG1 ILE 47 -15.095 18.262 15.239
371 1HG2 ILE 47 1HG2 ILE 47 -17.271 21.046 14.267
372 2HG2 ILE 47 2HG2 ILE 47 -17.364 19.312 13.959
373 3HG2 ILE 47 3HG2 ILE 47 -16.940 19.902 15.567
374 1HD1 ILE 47 1HD1 ILE 47 -15.158 18.201 12.208
375 2HD1 ILE 47 2HD1 ILE 47 -14.910 16.785 13.228
376 3HD1 ILE 47 3HD1 ILE 47 -16.438 17.663 13.294
377 H LEU 48 H LEU 48 -13.755 22.547 13.161
378 HA LEU 48 HA LEU 48 -15.779 24.602 13.259
379 1HB LEU 48 1HB LEU 48 -12.769 24.656 12.865
380 2HB LEU 48 2HB LEU 48 -13.751 26.065 13.267
381 HG LEU 48 HG LEU 48 -14.359 23.875 15.057
382 1HD1 LEU 48 1HD1 LEU 48 -11.461 24.639 14.683
383 2HD1 LEU 48 2HD1 LEU 48 -12.066 24.050 16.232
384 3HD1 LEU 48 3HD1 LEU 48 -12.162 23.024 14.800
385 1HD2 LEU 48 1HD2 LEU 48 -14.667 26.429 15.264
386 2HD2 LEU 48 2HD2 LEU 48 -14.113 25.564 16.698
387 3HD2 LEU 48 3HD2 LEU 48 -12.962 26.468 15.714
388 H GLU 49 H GLU 49 -13.525 23.461 10.750
389 HA GLU 49 HA GLU 49 -13.794 25.389 8.763
390 1HB GLU 49 1HB GLU 49 -13.848 22.358 8.590
391 2HB GLU 49 2HB GLU 49 -13.567 23.412 7.204
392 1HG GLU 49 1HG GLU 49 -11.900 23.700 9.696
393 2HG GLU 49 2HG GLU 49 -11.505 22.467 8.499
394 H LYS 50 H LYS 50 -16.222 23.185 9.979
395 HA LYS 50 HA LYS 50 -18.091 23.492 7.765
396 1HB LYS 50 1HB LYS 50 -18.575 22.650 10.640
397 2HB LYS 50 2HB LYS 50 -19.551 22.227 9.233
398 1HG LYS 50 1HG LYS 50 -16.634 21.515 9.249
399 2HG LYS 50 2HG LYS 50 -17.763 20.519 10.165
400 1HD LYS 50 1HD LYS 50 -19.160 20.651 7.902
401 2HD LYS 50 2HD LYS 50 -17.564 20.939 7.210
402 1HE LYS 50 1HE LYS 50 -16.721 18.852 8.101
403 2HE LYS 50 2HE LYS 50 -18.200 18.604 9.050
404 1HZ LYS 50 1HZ LYS 50 -18.347 19.050 6.135
405 2HZ LYS 50 2HZ LYS 50 -18.006 17.497 6.735
406 3HZ LYS 50 3HZ LYS 50 -19.460 18.271 7.150
407 H GLU 51 H GLU 51 -17.516 25.121 10.861
408 HA GLU 51 HA GLU 51 -19.957 26.590 11.045
409 1HB GLU 51 1HB GLU 51 -18.292 26.340 12.842
410 2HB GLU 51 2HB GLU 51 -17.123 27.266 11.900
411 1HG GLU 51 1HG GLU 51 -18.750 29.189 11.912
412 2HG GLU 51 2HG GLU 51 -19.759 28.260 13.021
413 H ALA 52 H ALA 52 -17.090 27.061 9.075
414 HA ALA 52 HA ALA 52 -17.721 29.826 8.351
415 1HB ALA 52 1HB ALA 52 -15.768 27.692 7.491
416 2HB ALA 52 2HB ALA 52 -15.882 29.215 6.609
417 3HB ALA 52 3HB ALA 52 -15.437 29.217 8.315
418 H LYS 53 H LYS 53 -18.152 30.409 6.029
419 HA LYS 53 HA LYS 53 -20.287 28.707 4.922
420 1HB LYS 53 1HB LYS 53 -19.080 31.368 4.097
421 2HB LYS 53 2HB LYS 53 -20.545 30.668 3.408
422 1HG LYS 53 1HG LYS 53 -21.571 30.656 5.678
423 2HG LYS 53 2HG LYS 53 -20.123 31.438 6.313
424 1HD LYS 53 1HD LYS 53 -20.496 33.323 4.710
425 2HD LYS 53 2HD LYS 53 -22.004 32.557 4.211
426 1HE LYS 53 1HE LYS 53 -21.426 33.241 7.109
427 2HE LYS 53 2HE LYS 53 -22.246 34.364 6.007
428 1HZ LYS 53 1HZ LYS 53 -23.763 32.481 5.439
429 2HZ LYS 53 2HZ LYS 53 -23.072 31.596 6.713
430 3HZ LYS 53 3HZ LYS 53 -23.916 33.030 7.039
431 H SER 54 H SER 54 -16.922 28.966 4.533
432 HA SER 54 HA SER 54 -16.684 28.521 1.687
433 1HB SER 54 1HB SER 54 -14.360 27.934 2.334
434 2HB SER 54 2HB SER 54 -14.900 29.402 3.148
435 HG SER 54 HG SER 54 -14.549 26.813 4.171
436 H GLN 55 H GLN 55 -17.542 26.480 4.348
437 HA GLN 55 HA GLN 55 -18.032 24.208 2.605
438 1HB GLN 55 1HB GLN 55 -15.531 24.240 2.846
439 2HB GLN 55 2HB GLN 55 -15.738 24.037 4.587
440 1HG GLN 55 1HG GLN 55 -16.778 21.891 4.295
441 2HG GLN 55 2HG GLN 55 -16.910 22.124 2.552
442 2HE2 GLN 55 2HE2 GLN 55 -15.110 20.460 4.770
443 1HE2 GLN 55 1HE2 GLN 55 -13.634 20.364 3.936
No H/Q in entry = 443
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -28.108 24.802 18.325
2 H2 LYS 1 H2 LYS 1 -29.416 25.281 19.298
3 H3 LYS 1 H3 LYS 1 -28.353 26.445 18.665
4 HA LYS 1 HA LYS 1 -26.593 25.775 20.078
5 1HB LYS 1 1HB LYS 1 -28.544 27.142 20.944
6 2HB LYS 1 2HB LYS 1 -29.197 25.653 21.629
7 1HG LYS 1 1HG LYS 1 -27.184 25.358 22.987
8 2HG LYS 1 2HG LYS 1 -26.448 26.781 22.249
9 1HD LYS 1 1HD LYS 1 -28.341 28.159 23.132
10 2HD LYS 1 2HD LYS 1 -28.952 26.727 23.961
11 1HE LYS 1 1HE LYS 1 -26.834 26.554 25.233
12 2HE LYS 1 2HE LYS 1 -26.224 27.999 24.402
13 1HZ LYS 1 1HZ LYS 1 -28.580 28.895 25.166
14 2HZ LYS 1 2HZ LYS 1 -28.353 27.753 26.398
15 3HZ LYS 1 3HZ LYS 1 -27.219 28.998 26.177
16 H ASN 2 H ASN 2 -25.979 23.556 19.392
17 HA ASN 2 HA ASN 2 -26.556 21.580 21.501
18 1HB ASN 2 1HB ASN 2 -27.388 19.927 19.813
19 2HB ASN 2 2HB ASN 2 -28.452 21.324 19.978
20 2HD2 ASN 2 2HD2 ASN 2 -29.038 20.458 17.651
21 1HD2 ASN 2 1HD2 ASN 2 -28.143 21.115 16.367
22 H GLU 3 H GLU 3 -25.401 19.383 20.678
23 HA GLU 3 HA GLU 3 -22.608 20.078 20.236
24 1HB GLU 3 1HB GLU 3 -24.153 17.471 20.387
25 2HB GLU 3 2HB GLU 3 -22.393 17.570 20.340
26 1HG GLU 3 1HG GLU 3 -22.643 17.592 22.622
27 2HG GLU 3 2HG GLU 3 -22.874 19.317 22.339
28 H ASP 4 H ASP 4 -25.158 19.853 18.107
29 HA ASP 4 HA ASP 4 -23.949 18.345 15.938
30 1HB ASP 4 1HB ASP 4 -26.260 20.235 16.327
31 2HB ASP 4 2HB ASP 4 -25.811 19.724 14.699
32 H GLN 5 H GLN 5 -23.089 21.266 17.296
33 HA GLN 5 HA GLN 5 -21.993 22.285 14.694
34 1HB GLN 5 1HB GLN 5 -22.749 23.850 17.182
35 2HB GLN 5 2HB GLN 5 -22.324 24.514 15.604
36 1HG GLN 5 1HG GLN 5 -24.322 23.667 14.604
37 2HG GLN 5 2HG GLN 5 -24.666 22.640 15.996
38 2HE2 GLN 5 2HE2 GLN 5 -24.330 24.407 18.138
39 1HE2 GLN 5 1HE2 GLN 5 -25.444 25.681 18.017
40 H GLU 6 H GLU 6 -21.439 21.681 18.119
41 HA GLU 6 HA GLU 6 -18.500 22.070 17.655
42 1HB GLU 6 1HB GLU 6 -20.301 22.888 19.947
43 2HB GLU 6 2HB GLU 6 -18.546 22.817 20.112
44 1HG GLU 6 1HG GLU 6 -18.384 24.342 18.104
45 2HG GLU 6 2HG GLU 6 -20.135 24.534 18.188
46 H MET 7 H MET 7 -19.613 19.567 17.293
47 HA MET 7 HA MET 7 -20.092 17.799 19.343
48 1HB MET 7 1HB MET 7 -18.207 17.489 16.984
49 2HB MET 7 2HB MET 7 -18.890 16.145 17.901
50 1HG MET 7 1HG MET 7 -21.185 17.060 17.348
51 2HG MET 7 2HG MET 7 -20.395 18.200 16.259
52 1HE MET 7 1HE MET 7 -18.163 16.987 14.889
53 2HE MET 7 2HE MET 7 -18.859 16.156 13.500
54 3HE MET 7 3HE MET 7 -19.501 17.723 14.011
55 H CYS 8 H CYS 8 -16.942 19.217 18.510
56 HA CYS 8 HA CYS 8 -15.609 17.691 20.679
57 1HB CYS 8 1HB CYS 8 -14.654 18.038 18.367
58 2HB CYS 8 2HB CYS 8 -14.527 19.758 18.739
59 H HIS 9 H HIS 9 -15.740 18.573 22.707
60 HA HIS 9 HA HIS 9 -15.881 21.554 22.962
61 1HB HIS 9 1HB HIS 9 -16.678 19.268 24.794
62 2HB HIS 9 2HB HIS 9 -16.840 20.975 25.206
63 HD1 HIS 9 HD1 HIS 9 -18.386 18.267 23.177
64 HD2 HIS 9 HD2 HIS 9 -18.815 22.388 23.631
65 HE1 HIS 9 HE1 HIS 9 -20.566 18.889 22.047
66 H GLU 10 H GLU 10 -13.826 18.859 23.427
67 HA GLU 10 HA GLU 10 -12.349 19.794 25.742
68 1HB GLU 10 1HB GLU 10 -12.499 17.444 24.836
69 2HB GLU 10 2HB GLU 10 -11.494 17.961 23.481
70 1HG GLU 10 1HG GLU 10 -9.871 18.823 25.343
71 2HG GLU 10 2HG GLU 10 -10.764 17.722 26.392
72 H PHE 11 H PHE 11 -11.784 19.971 22.211
73 HA PHE 11 HA PHE 11 -9.355 21.586 22.567
74 1HB PHE 11 1HB PHE 11 -11.005 20.545 20.274
75 2HB PHE 11 2HB PHE 11 -9.685 21.674 19.991
76 HD1 PHE 11 HD1 PHE 11 -10.517 18.349 21.460
77 HD2 PHE 11 HD2 PHE 11 -7.417 20.970 20.057
78 HE1 PHE 11 HE1 PHE 11 -8.884 16.490 21.595
79 HE2 PHE 11 HE2 PHE 11 -5.784 19.110 20.194
80 HZ PHE 11 HZ PHE 11 -6.518 16.871 20.963
81 H GLN 12 H GLN 12 -12.755 22.191 22.297
82 HA GLN 12 HA GLN 12 -12.955 24.626 20.945
83 1HB GLN 12 1HB GLN 12 -14.803 23.352 22.018
84 2HB GLN 12 2HB GLN 12 -14.211 23.853 23.602
85 1HG GLN 12 1HG GLN 12 -14.472 26.252 22.835
86 2HG GLN 12 2HG GLN 12 -15.285 25.635 21.398
87 2HE2 GLN 12 2HE2 GLN 12 -17.517 25.716 21.643
88 1HE2 GLN 12 1HE2 GLN 12 -18.354 25.450 23.096
89 H ALA 13 H ALA 13 -11.734 24.029 24.229
90 HA ALA 13 HA ALA 13 -11.409 26.762 25.019
91 1HB ALA 13 1HB ALA 13 -10.347 25.795 26.850
92 2HB ALA 13 2HB ALA 13 -9.503 24.606 25.858
93 3HB ALA 13 3HB ALA 13 -11.214 24.391 26.228
94 H PHE 14 H PHE 14 -9.661 24.746 22.794
95 HA PHE 14 HA PHE 14 -7.220 26.401 22.876
96 1HB PHE 14 1HB PHE 14 -8.087 24.140 21.049
97 2HB PHE 14 2HB PHE 14 -6.447 24.744 21.255
98 HD1 PHE 14 HD1 PHE 14 -7.126 25.215 24.387
99 HD2 PHE 14 HD2 PHE 14 -7.214 21.868 21.695
100 HE1 PHE 14 HE1 PHE 14 -6.799 23.671 26.298
101 HE2 PHE 14 HE2 PHE 14 -6.888 20.324 23.606
102 HZ PHE 14 HZ PHE 14 -6.680 21.224 25.908
103 H MET 15 H MET 15 -10.108 27.221 21.805
104 HA MET 15 HA MET 15 -9.330 28.015 19.051
105 1HB MET 15 1HB MET 15 -11.680 28.320 18.753
106 2HB MET 15 2HB MET 15 -11.512 26.860 19.717
107 1HG MET 15 1HG MET 15 -11.734 28.451 21.760
108 2HG MET 15 2HG MET 15 -12.371 29.610 20.597
109 1HE MET 15 1HE MET 15 -13.991 29.751 22.165
110 2HE MET 15 2HE MET 15 -15.570 29.260 21.540
111 3HE MET 15 3HE MET 15 -14.868 28.425 22.924
112 H LYS 16 H LYS 16 -8.237 29.942 18.984
113 HA LYS 16 HA LYS 16 -8.770 32.045 21.001
114 1HB LYS 16 1HB LYS 16 -6.480 31.246 20.159
115 2HB LYS 16 2HB LYS 16 -6.862 32.073 18.649
116 1HG LYS 16 1HG LYS 16 -7.487 33.954 20.605
117 2HG LYS 16 2HG LYS 16 -6.015 33.194 21.211
118 1HD LYS 16 1HD LYS 16 -5.054 33.520 18.860
119 2HD LYS 16 2HD LYS 16 -6.437 34.569 18.549
120 1HE LYS 16 1HE LYS 16 -5.736 36.169 20.134
121 2HE LYS 16 2HE LYS 16 -4.706 35.004 20.988
122 1HZ LYS 16 1HZ LYS 16 -4.178 35.443 18.146
123 2HZ LYS 16 2HZ LYS 16 -3.735 36.695 19.200
124 3HZ LYS 16 3HZ LYS 16 -3.088 35.138 19.414
125 H ASN 17 H ASN 17 -10.898 32.731 20.310
126 HA ASN 17 HA ASN 17 -12.389 34.068 19.063
127 1HB ASN 17 1HB ASN 17 -9.737 35.017 17.925
128 2HB ASN 17 2HB ASN 17 -11.268 35.882 17.803
129 2HD2 ASN 17 2HD2 ASN 17 -8.481 36.012 19.505
130 1HD2 ASN 17 1HD2 ASN 17 -9.057 36.566 21.002
131 H GLY 18 H GLY 18 -12.261 31.528 18.074
132 1HA GLY 18 1HA GLY 18 -12.683 31.981 15.197
133 2HA GLY 18 2HA GLY 18 -13.084 30.511 16.083
134 H LYS 19 H LYS 19 -9.931 31.655 16.735
135 HA LYS 19 HA LYS 19 -8.697 30.068 14.544
136 1HB LYS 19 1HB LYS 19 -8.040 32.440 15.390
137 2HB LYS 19 2HB LYS 19 -7.282 31.585 16.734
138 1HG LYS 19 1HG LYS 19 -6.729 30.938 13.826
139 2HG LYS 19 2HG LYS 19 -5.742 32.050 14.774
140 1HD LYS 19 1HD LYS 19 -5.408 30.192 16.451
141 2HD LYS 19 2HD LYS 19 -6.215 29.104 15.321
142 1HE LYS 19 1HE LYS 19 -4.056 30.722 14.107
143 2HE LYS 19 2HE LYS 19 -3.510 29.554 15.325
144 1HZ LYS 19 1HZ LYS 19 -5.237 28.032 14.124
145 2HZ LYS 19 2HZ LYS 19 -4.984 29.086 12.820
146 3HZ LYS 19 3HZ LYS 19 -3.679 28.218 13.473
147 H LEU 20 H LEU 20 -8.711 27.889 15.059
148 HA LEU 20 HA LEU 20 -8.306 26.972 17.829
149 1HB LEU 20 1HB LEU 20 -9.806 26.050 15.868
150 2HB LEU 20 2HB LEU 20 -8.320 25.245 15.366
151 HG LEU 20 HG LEU 20 -9.701 24.988 18.053
152 1HD1 LEU 20 1HD1 LEU 20 -10.383 23.717 15.806
153 2HD1 LEU 20 2HD1 LEU 20 -9.017 22.698 16.259
154 3HD1 LEU 20 3HD1 LEU 20 -10.379 22.890 17.363
155 1HD2 LEU 20 1HD2 LEU 20 -7.027 23.994 17.045
156 2HD2 LEU 20 2HD2 LEU 20 -7.353 24.940 18.497
157 3HD2 LEU 20 3HD2 LEU 20 -7.856 23.251 18.413
158 H PHE 21 H PHE 21 -6.212 26.897 18.604
159 HA PHE 21 HA PHE 21 -4.004 26.384 16.666
160 1HB PHE 21 1HB PHE 21 -2.614 27.161 18.663
161 2HB PHE 21 2HB PHE 21 -3.698 28.365 17.976
162 HD1 PHE 21 HD1 PHE 21 -3.092 26.119 20.838
163 HD2 PHE 21 HD2 PHE 21 -5.685 29.114 19.174
164 HE1 PHE 21 HE1 PHE 21 -4.173 26.411 23.048
165 HE2 PHE 21 HE2 PHE 21 -6.765 29.405 21.387
166 HZ PHE 21 HZ PHE 21 -6.009 28.055 23.324
167 H CYS 22 H CYS 22 -5.113 24.077 16.827
168 HA CYS 22 HA CYS 22 -4.918 22.372 19.031
169 1HB CYS 22 1HB CYS 22 -5.567 22.167 16.400
170 2HB CYS 22 2HB CYS 22 -4.042 21.282 16.416
171 HA PRO 23 HA PRO 23 -0.348 21.363 17.759
172 1HB PRO 23 1HB PRO 23 0.705 23.697 16.448
173 2HB PRO 23 2HB PRO 23 0.523 22.068 15.794
174 1HG PRO 23 1HG PRO 23 -0.970 24.393 15.089
175 2HG PRO 23 2HG PRO 23 -1.226 22.741 14.520
176 1HD PRO 23 1HD PRO 23 -2.833 24.286 16.394
177 2HD PRO 23 2HD PRO 23 -3.186 22.696 15.683
178 H GLN 24 H GLN 24 -0.523 21.868 20.117
179 HA GLN 24 HA GLN 24 0.951 24.385 20.819
180 1HB GLN 24 1HB GLN 24 -0.501 24.619 22.722
181 2HB GLN 24 2HB GLN 24 -1.542 24.303 21.335
182 1HG GLN 24 1HG GLN 24 -0.896 21.761 22.280
183 2HG GLN 24 2HG GLN 24 -1.135 22.709 23.747
184 2HE2 GLN 24 2HE2 GLN 24 -2.766 21.044 21.237
185 1HE2 GLN 24 1HE2 GLN 24 -4.330 21.631 21.545
186 H ASP 25 H ASP 25 0.492 20.952 21.362
187 HA ASP 25 HA ASP 25 3.134 20.542 22.383
188 1HB ASP 25 1HB ASP 25 2.170 21.816 24.282
189 2HB ASP 25 2HB ASP 25 0.880 20.622 24.420
190 H LYS 26 H LYS 26 1.829 19.163 20.462
191 HA LYS 26 HA LYS 26 0.158 16.996 21.152
192 1HB LYS 26 1HB LYS 26 2.128 17.670 19.015
193 2HB LYS 26 2HB LYS 26 1.564 16.001 19.096
194 1HG LYS 26 1HG LYS 26 -0.757 16.734 18.952
195 2HG LYS 26 2HG LYS 26 -0.260 18.425 19.015
196 1HD LYS 26 1HD LYS 26 1.195 17.786 16.923
197 2HD LYS 26 2HD LYS 26 0.069 16.437 16.784
198 1HE LYS 26 1HE LYS 26 -1.792 17.875 16.463
199 2HE LYS 26 2HE LYS 26 -0.918 19.282 17.097
200 1HZ LYS 26 1HZ LYS 26 0.110 17.786 14.766
201 2HZ LYS 26 2HZ LYS 26 -1.078 18.982 14.554
202 3HZ LYS 26 3HZ LYS 26 0.430 19.388 15.224
203 H LYS 27 H LYS 27 3.444 17.507 22.043
204 HA LYS 27 HA LYS 27 4.706 15.061 22.110
205 1HB LYS 27 1HB LYS 27 4.390 17.125 24.312
206 2HB LYS 27 2HB LYS 27 5.636 15.880 24.296
207 1HG LYS 27 1HG LYS 27 6.467 16.755 22.131
208 2HG LYS 27 2HG LYS 27 5.241 18.021 22.185
209 1HD LYS 27 1HD LYS 27 6.202 18.895 24.266
210 2HD LYS 27 2HD LYS 27 7.397 17.598 24.277
211 1HE LYS 27 1HE LYS 27 8.293 18.430 22.105
212 2HE LYS 27 2HE LYS 27 7.126 19.767 22.161
213 1HZ LYS 27 1HZ LYS 27 8.054 20.110 24.521
214 2HZ LYS 27 2HZ LYS 27 9.377 19.190 23.989
215 3HZ LYS 27 3HZ LYS 27 8.989 20.650 23.210
216 H PHE 28 H PHE 28 1.815 15.969 23.886
217 HA PHE 28 HA PHE 28 1.694 14.129 25.978
218 1HB PHE 28 1HB PHE 28 -0.548 14.788 24.044
219 2HB PHE 28 2HB PHE 28 -0.707 14.377 25.750
220 HD1 PHE 28 HD1 PHE 28 1.482 15.946 26.965
221 HD2 PHE 28 HD2 PHE 28 -1.305 17.013 23.877
222 HE1 PHE 28 HE1 PHE 28 1.737 18.340 27.562
223 HE2 PHE 28 HE2 PHE 28 -1.052 19.405 24.473
224 HZ PHE 28 HZ PHE 28 0.470 20.070 26.313
225 H PHE 29 H PHE 29 1.639 13.481 22.553
226 HA PHE 29 HA PHE 29 0.297 11.123 22.165
227 1HB PHE 29 1HB PHE 29 1.722 12.327 20.532
228 2HB PHE 29 2HB PHE 29 3.159 11.727 21.360
229 HD1 PHE 29 HD1 PHE 29 3.236 9.101 21.714
230 HD2 PHE 29 HD2 PHE 29 0.865 11.100 18.743
231 HE1 PHE 29 HE1 PHE 29 3.119 7.003 20.396
232 HE2 PHE 29 HE2 PHE 29 0.747 9.003 17.425
233 HZ PHE 29 HZ PHE 29 1.875 6.954 18.252
234 H GLN 30 H GLN 30 3.131 11.538 24.201
235 HA GLN 30 HA GLN 30 3.885 8.769 24.418
236 1HB GLN 30 1HB GLN 30 5.249 9.587 26.225
237 2HB GLN 30 2HB GLN 30 5.185 10.873 25.020
238 1HG GLN 30 1HG GLN 30 3.284 11.894 26.310
239 2HG GLN 30 2HG GLN 30 3.542 10.679 27.561
240 2HE2 GLN 30 2HE2 GLN 30 4.409 13.811 26.650
241 1HE2 GLN 30 1HE2 GLN 30 5.833 13.960 27.563
242 H SER 31 H SER 31 1.057 10.302 25.435
243 HA SER 31 HA SER 31 0.584 8.161 27.480
244 1HB SER 31 1HB SER 31 1.083 10.312 28.558
245 2HB SER 31 2HB SER 31 -0.153 11.105 27.582
246 HG SER 31 HG SER 31 -0.578 10.167 29.873
247 H LEU 32 H LEU 32 -1.575 7.358 27.514
248 HA LEU 32 HA LEU 32 -3.046 7.136 25.169
249 1HB LEU 32 1HB LEU 32 -3.349 5.892 27.320
250 2HB LEU 32 2HB LEU 32 -4.143 7.317 27.988
251 HG LEU 32 HG LEU 32 -5.950 7.159 26.431
252 1HD1 LEU 32 1HD1 LEU 32 -4.204 5.118 25.029
253 2HD1 LEU 32 2HD1 LEU 32 -5.911 5.350 24.651
254 3HD1 LEU 32 3HD1 LEU 32 -4.764 6.666 24.396
255 1HD2 LEU 32 1HD2 LEU 32 -5.953 5.506 28.317
256 2HD2 LEU 32 2HD2 LEU 32 -6.859 4.954 26.908
257 3HD2 LEU 32 3HD2 LEU 32 -5.245 4.319 27.223
258 H ASP 33 H ASP 33 -3.690 9.486 27.785
259 HA ASP 33 HA ASP 33 -5.817 10.894 26.598
260 1HB ASP 33 1HB ASP 33 -4.616 11.089 28.908
261 2HB ASP 33 2HB ASP 33 -3.559 12.237 28.088
262 H GLY 34 H GLY 34 -2.331 11.152 26.071
263 1HA GLY 34 1HA GLY 34 -1.114 12.375 24.464
264 2HA GLY 34 2HA GLY 34 -2.517 13.424 24.277
265 H ILE 35 H ILE 35 -2.027 9.927 23.797
266 HA ILE 35 HA ILE 35 -2.097 9.891 20.971
267 HB ILE 35 HB ILE 35 -2.744 8.020 23.221
268 1HG1 ILE 35 1HG1 ILE 35 -0.429 8.337 22.482
269 2HG1 ILE 35 2HG1 ILE 35 -0.962 6.702 22.090
270 1HG2 ILE 35 1HG2 ILE 35 -3.300 7.402 20.301
271 2HG2 ILE 35 2HG2 ILE 35 -3.316 6.223 21.613
272 3HG2 ILE 35 3HG2 ILE 35 -4.511 7.519 21.578
273 1HD1 ILE 35 1HD1 ILE 35 -1.669 8.423 19.912
274 2HD1 ILE 35 2HD1 ILE 35 0.027 8.702 20.309
275 3HD1 ILE 35 3HD1 ILE 35 -0.530 7.076 19.913
276 H MET 36 H MET 36 -4.689 10.146 23.350
277 HA MET 36 HA MET 36 -6.840 9.792 21.397
278 1HB MET 36 1HB MET 36 -6.494 10.433 24.288
279 2HB MET 36 2HB MET 36 -8.010 10.925 23.531
280 1HG MET 36 1HG MET 36 -6.846 8.124 23.438
281 2HG MET 36 2HG MET 36 -8.158 8.638 24.498
282 1HE MET 36 1HE MET 36 -10.312 8.281 24.110
283 2HE MET 36 2HE MET 36 -10.454 9.883 23.373
284 3HE MET 36 3HE MET 36 -11.231 8.490 22.621
285 H PHE 37 H PHE 37 -6.034 12.625 23.467
286 HA PHE 37 HA PHE 37 -7.522 14.551 22.125
287 1HB PHE 37 1HB PHE 37 -6.493 15.773 23.725
288 2HB PHE 37 2HB PHE 37 -5.422 14.412 24.042
289 HD1 PHE 37 HD1 PHE 37 -3.256 14.222 22.758
290 HD2 PHE 37 HD2 PHE 37 -5.711 17.737 22.633
291 HE1 PHE 37 HE1 PHE 37 -1.348 15.520 21.863
292 HE2 PHE 37 HE2 PHE 37 -3.804 19.036 21.729
293 HZ PHE 37 HZ PHE 37 -1.626 17.918 21.341
294 H ILE 38 H ILE 38 -4.184 13.510 21.288
295 HA ILE 38 HA ILE 38 -3.743 15.179 19.064
296 HB ILE 38 HB ILE 38 -2.990 12.314 19.693
297 1HG1 ILE 38 1HG1 ILE 38 -1.627 15.006 19.915
298 2HG1 ILE 38 2HG1 ILE 38 -1.967 13.852 21.203
299 1HG2 ILE 38 1HG2 ILE 38 -2.989 12.791 17.210
300 2HG2 ILE 38 2HG2 ILE 38 -1.809 14.065 17.519
301 3HG2 ILE 38 3HG2 ILE 38 -1.405 12.384 17.871
302 1HD1 ILE 38 1HD1 ILE 38 -0.441 12.223 19.956
303 2HD1 ILE 38 2HD1 ILE 38 0.063 13.601 18.976
304 3HD1 ILE 38 3HD1 ILE 38 0.356 13.601 20.715
305 H ASN 39 H ASN 39 -5.535 12.116 19.286
306 HA ASN 39 HA ASN 39 -6.100 11.835 16.481
307 1HB ASN 39 1HB ASN 39 -7.521 10.911 18.997
308 2HB ASN 39 2HB ASN 39 -7.904 10.323 17.380
309 2HD2 ASN 39 2HD2 ASN 39 -6.944 8.521 19.365
310 1HD2 ASN 39 1HD2 ASN 39 -5.386 8.009 18.932
311 H LYS 40 H LYS 40 -7.842 13.401 19.149
312 HA LYS 40 HA LYS 40 -10.035 14.286 17.397
313 1HB LYS 40 1HB LYS 40 -9.245 14.820 20.279
314 2HB LYS 40 2HB LYS 40 -10.737 15.408 19.546
315 1HG LYS 40 1HG LYS 40 -11.429 13.103 19.060
316 2HG LYS 40 2HG LYS 40 -9.918 12.493 19.735
317 1HD LYS 40 1HD LYS 40 -10.602 13.772 21.883
318 2HD LYS 40 2HD LYS 40 -12.214 13.825 21.168
319 1HE LYS 40 1HE LYS 40 -11.767 11.222 20.805
320 2HE LYS 40 2HE LYS 40 -10.663 11.465 22.170
321 1HZ LYS 40 1HZ LYS 40 -12.536 12.712 23.255
322 2HZ LYS 40 2HZ LYS 40 -13.556 12.128 22.030
323 3HZ LYS 40 3HZ LYS 40 -12.795 11.040 23.091
324 H CYS 41 H CYS 41 -6.912 15.376 18.263
325 HA CYS 41 HA CYS 41 -7.170 18.201 18.289
326 1HB CYS 41 1HB CYS 41 -5.157 16.914 18.882
327 2HB CYS 41 2HB CYS 41 -4.992 16.380 17.213
328 H ALA 42 H ALA 42 -5.967 16.304 15.513
329 HA ALA 42 HA ALA 42 -6.408 18.374 13.582
330 1HB ALA 42 1HB ALA 42 -5.094 16.007 13.695
331 2HB ALA 42 2HB ALA 42 -5.470 16.816 12.173
332 3HB ALA 42 3HB ALA 42 -6.507 15.516 12.760
333 H THR 43 H THR 43 -8.476 15.780 14.796
334 HA THR 43 HA THR 43 -10.506 16.019 12.732
335 HB THR 43 HB THR 43 -10.531 14.882 15.549
336 HG1 THR 43 HG1 THR 43 -9.623 13.203 14.678
337 1HG2 THR 43 1HG2 THR 43 -12.759 15.425 14.242
338 2HG2 THR 43 2HG2 THR 43 -12.333 13.976 13.332
339 3HG2 THR 43 3HG2 THR 43 -12.574 13.882 15.076
340 H CYS 44 H CYS 44 -10.236 17.194 16.104
341 HA CYS 44 HA CYS 44 -12.755 18.543 16.196
342 1HB CYS 44 1HB CYS 44 -10.092 18.867 17.597
343 2HB CYS 44 2HB CYS 44 -11.494 19.848 18.025
344 H LYS 45 H LYS 45 -9.700 19.373 14.723
345 HA LYS 45 HA LYS 45 -10.087 22.226 14.525
346 1HB LYS 45 1HB LYS 45 -7.907 21.201 14.293
347 2HB LYS 45 2HB LYS 45 -8.472 20.180 12.972
348 1HG LYS 45 1HG LYS 45 -9.096 22.621 11.969
349 2HG LYS 45 2HG LYS 45 -7.694 23.047 12.952
350 1HD LYS 45 1HD LYS 45 -6.472 21.115 11.844
351 2HD LYS 45 2HD LYS 45 -7.834 20.992 10.731
352 1HE LYS 45 1HE LYS 45 -7.430 23.176 9.839
353 2HE LYS 45 2HE LYS 45 -6.326 23.588 11.164
354 1HZ LYS 45 1HZ LYS 45 -5.059 21.506 10.399
355 2HZ LYS 45 2HZ LYS 45 -5.928 21.670 8.949
356 3HZ LYS 45 3HZ LYS 45 -4.900 22.916 9.467
357 H MET 46 H MET 46 -10.757 19.513 12.287
358 HA MET 46 HA MET 46 -11.731 21.102 10.116
359 1HB MET 46 1HB MET 46 -12.598 18.971 9.326
360 2HB MET 46 2HB MET 46 -11.044 18.683 10.105
361 1HG MET 46 1HG MET 46 -12.003 17.292 11.588
362 2HG MET 46 2HG MET 46 -13.140 18.547 12.074
363 1HE MET 46 1HE MET 46 -13.931 16.244 12.609
364 2HE MET 46 2HE MET 46 -15.494 15.899 11.872
365 3HE MET 46 3HE MET 46 -14.081 14.956 11.405
366 H ILE 47 H ILE 47 -13.171 20.149 13.138
367 HA ILE 47 HA ILE 47 -15.941 20.318 12.515
368 HB ILE 47 HB ILE 47 -14.491 21.187 15.039
369 1HG1 ILE 47 1HG1 ILE 47 -13.674 19.003 14.515
370 2HG1 ILE 47 2HG1 ILE 47 -14.954 18.761 15.702
371 1HG2 ILE 47 1HG2 ILE 47 -17.317 20.461 14.343
372 2HG2 ILE 47 2HG2 ILE 47 -16.706 20.067 15.951
373 3HG2 ILE 47 3HG2 ILE 47 -16.721 21.742 15.398
374 1HD1 ILE 47 1HD1 ILE 47 -16.411 18.675 13.413
375 2HD1 ILE 47 2HD1 ILE 47 -14.877 18.031 12.827
376 3HD1 ILE 47 3HD1 ILE 47 -15.709 17.242 14.167
377 H LEU 48 H LEU 48 -13.602 22.847 13.433
378 HA LEU 48 HA LEU 48 -15.531 25.009 13.447
379 1HB LEU 48 1HB LEU 48 -12.521 24.749 13.318
380 2HB LEU 48 2HB LEU 48 -13.308 26.327 13.293
381 HG LEU 48 HG LEU 48 -12.704 25.721 15.593
382 1HD1 LEU 48 1HD1 LEU 48 -15.149 26.631 14.740
383 2HD1 LEU 48 2HD1 LEU 48 -15.611 25.261 15.750
384 3HD1 LEU 48 3HD1 LEU 48 -14.641 26.569 16.428
385 1HD2 LEU 48 1HD2 LEU 48 -12.852 23.218 15.111
386 2HD2 LEU 48 2HD2 LEU 48 -13.516 23.739 16.660
387 3HD2 LEU 48 3HD2 LEU 48 -14.597 23.377 15.314
388 H GLU 49 H GLU 49 -13.260 23.703 11.034
389 HA GLU 49 HA GLU 49 -13.582 25.706 9.031
390 1HB GLU 49 1HB GLU 49 -13.057 22.721 8.855
391 2HB GLU 49 2HB GLU 49 -12.774 23.866 7.544
392 1HG GLU 49 1HG GLU 49 -11.536 24.264 10.268
393 2HG GLU 49 2HG GLU 49 -10.760 23.256 9.047
394 H LYS 50 H LYS 50 -15.663 23.071 10.028
395 HA LYS 50 HA LYS 50 -17.288 23.000 7.614
396 1HB LYS 50 1HB LYS 50 -17.631 22.042 10.470
397 2HB LYS 50 2HB LYS 50 -18.792 21.690 9.191
398 1HG LYS 50 1HG LYS 50 -15.845 21.037 8.957
399 2HG LYS 50 2HG LYS 50 -17.030 19.894 9.589
400 1HD LYS 50 1HD LYS 50 -18.350 20.351 7.417
401 2HD LYS 50 2HD LYS 50 -16.858 21.073 6.815
402 1HE LYS 50 1HE LYS 50 -15.659 18.933 7.337
403 2HE LYS 50 2HE LYS 50 -17.215 18.218 7.802
404 1HZ LYS 50 1HZ LYS 50 -18.072 18.918 5.597
405 2HZ LYS 50 2HZ LYS 50 -16.501 19.398 5.164
406 3HZ LYS 50 3HZ LYS 50 -16.828 17.765 5.486
407 H GLU 51 H GLU 51 -17.553 24.600 10.788
408 HA GLU 51 HA GLU 51 -20.171 25.647 10.573
409 1HB GLU 51 1HB GLU 51 -17.618 26.702 11.823
410 2HB GLU 51 2HB GLU 51 -19.204 27.415 12.119
411 1HG GLU 51 1HG GLU 51 -20.029 25.281 12.998
412 2HG GLU 51 2HG GLU 51 -18.481 24.515 12.639
413 H ALA 52 H ALA 52 -17.219 26.604 8.949
414 HA ALA 52 HA ALA 52 -18.178 29.237 8.128
415 1HB ALA 52 1HB ALA 52 -15.767 28.217 8.430
416 2HB ALA 52 2HB ALA 52 -16.058 29.390 7.146
417 3HB ALA 52 3HB ALA 52 -16.002 27.667 6.771
418 H LYS 53 H LYS 53 -18.392 25.969 6.889
419 HA LYS 53 HA LYS 53 -19.296 25.123 4.866
420 1HB LYS 53 1HB LYS 53 -21.006 27.581 5.377
421 2HB LYS 53 2HB LYS 53 -21.476 26.190 4.399
422 1HG LYS 53 1HG LYS 53 -21.372 24.727 6.335
423 2HG LYS 53 2HG LYS 53 -20.720 26.028 7.331
424 1HD LYS 53 1HD LYS 53 -22.821 27.328 6.916
425 2HD LYS 53 2HD LYS 53 -23.471 25.931 6.059
426 1HE LYS 53 1HE LYS 53 -23.210 24.557 8.112
427 2HE LYS 53 2HE LYS 53 -22.595 25.982 8.971
428 1HZ LYS 53 1HZ LYS 53 -25.145 26.075 7.476
429 2HZ LYS 53 2HZ LYS 53 -25.104 25.511 9.076
430 3HZ LYS 53 3HZ LYS 53 -24.609 27.097 8.722
431 H SER 54 H SER 54 -17.006 26.494 4.231
432 HA SER 54 HA SER 54 -17.712 28.436 2.079
433 1HB SER 54 1HB SER 54 -16.000 28.894 3.900
434 2HB SER 54 2HB SER 54 -15.003 27.630 3.178
435 HG SER 54 HG SER 54 -14.677 29.907 2.474
436 H GLN 55 H GLN 55 -18.361 27.056 0.365
437 HA GLN 55 HA GLN 55 -18.060 25.555 -1.438
438 1HB GLN 55 1HB GLN 55 -15.212 26.351 -0.754
439 2HB GLN 55 2HB GLN 55 -15.676 25.524 -2.241
440 1HG GLN 55 1HG GLN 55 -17.218 27.401 -2.775
441 2HG GLN 55 2HG GLN 55 -16.677 28.236 -1.319
442 2HE2 GLN 55 2HE2 GLN 55 -15.869 29.973 -2.835
443 1HE2 GLN 55 1HE2 GLN 55 -14.380 29.753 -3.619
No H/Q in entry = 443
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -29.081 17.461 15.119
2 H2 LYS 1 H2 LYS 1 -28.072 18.137 13.931
3 H3 LYS 1 H3 LYS 1 -29.728 17.939 13.623
4 HA LYS 1 HA LYS 1 -29.558 15.622 13.431
5 1HB LYS 1 1HB LYS 1 -27.114 17.024 12.301
6 2HB LYS 1 2HB LYS 1 -27.713 15.463 11.743
7 1HG LYS 1 1HG LYS 1 -29.870 16.502 11.143
8 2HG LYS 1 2HG LYS 1 -29.277 18.063 11.709
9 1HD LYS 1 1HD LYS 1 -27.446 17.950 10.031
10 2HD LYS 1 2HD LYS 1 -28.104 16.423 9.441
11 1HE LYS 1 1HE LYS 1 -30.138 17.495 8.704
12 2HE LYS 1 2HE LYS 1 -29.702 19.006 9.526
13 1HZ LYS 1 1HZ LYS 1 -27.704 19.115 8.142
14 2HZ LYS 1 2HZ LYS 1 -28.176 17.700 7.328
15 3HZ LYS 1 3HZ LYS 1 -29.107 19.111 7.182
16 H ASN 2 H ASN 2 -26.214 16.711 14.152
17 HA ASN 2 HA ASN 2 -25.407 14.151 15.216
18 1HB ASN 2 1HB ASN 2 -24.025 16.071 14.205
19 2HB ASN 2 2HB ASN 2 -24.174 16.856 15.778
20 2HD2 ASN 2 2HD2 ASN 2 -21.825 16.596 16.139
21 1HD2 ASN 2 1HD2 ASN 2 -21.176 15.079 16.539
22 H GLU 3 H GLU 3 -25.619 13.376 17.290
23 HA GLU 3 HA GLU 3 -27.256 14.769 19.230
24 1HB GLU 3 1HB GLU 3 -25.535 12.278 19.233
25 2HB GLU 3 2HB GLU 3 -26.488 12.767 20.635
26 1HG GLU 3 1HG GLU 3 -28.206 11.645 19.684
27 2HG GLU 3 2HG GLU 3 -28.287 12.970 18.523
28 H ASP 4 H ASP 4 -23.813 14.572 18.629
29 HA ASP 4 HA ASP 4 -23.057 15.546 21.297
30 1HB ASP 4 1HB ASP 4 -21.560 15.131 18.690
31 2HB ASP 4 2HB ASP 4 -20.792 15.536 20.225
32 H GLN 5 H GLN 5 -23.526 16.877 18.060
33 HA GLN 5 HA GLN 5 -23.591 19.118 17.308
34 1HB GLN 5 1HB GLN 5 -24.050 19.436 20.292
35 2HB GLN 5 2HB GLN 5 -24.277 20.732 19.119
36 1HG GLN 5 1HG GLN 5 -25.993 19.454 17.965
37 2HG GLN 5 2HG GLN 5 -25.695 18.054 18.995
38 2HE2 GLN 5 2HE2 GLN 5 -28.287 18.991 19.022
39 1HE2 GLN 5 1HE2 GLN 5 -28.613 19.831 20.460
40 H GLU 6 H GLU 6 -22.247 19.956 20.460
41 HA GLU 6 HA GLU 6 -20.012 21.375 19.301
42 1HB GLU 6 1HB GLU 6 -20.645 20.370 22.097
43 2HB GLU 6 2HB GLU 6 -19.329 21.484 21.726
44 1HG GLU 6 1HG GLU 6 -20.943 23.101 20.809
45 2HG GLU 6 2HG GLU 6 -22.265 21.982 21.139
46 H MET 7 H MET 7 -19.664 19.104 18.016
47 HA MET 7 HA MET 7 -18.536 16.809 18.969
48 1HB MET 7 1HB MET 7 -17.688 18.619 16.696
49 2HB MET 7 2HB MET 7 -17.033 16.995 16.902
50 1HG MET 7 1HG MET 7 -19.369 16.101 16.884
51 2HG MET 7 2HG MET 7 -19.953 17.729 16.541
52 1HE MET 7 1HE MET 7 -18.076 14.700 15.579
53 2HE MET 7 2HE MET 7 -19.639 14.553 14.783
54 3HE MET 7 3HE MET 7 -18.157 14.642 13.820
55 H CYS 8 H CYS 8 -17.032 20.005 19.030
56 HA CYS 8 HA CYS 8 -14.512 18.855 20.131
57 1HB CYS 8 1HB CYS 8 -15.398 21.485 18.950
58 2HB CYS 8 2HB CYS 8 -13.888 21.373 19.854
59 H HIS 9 H HIS 9 -14.086 19.009 22.306
60 HA HIS 9 HA HIS 9 -15.683 20.961 23.929
61 1HB HIS 9 1HB HIS 9 -16.583 18.653 24.067
62 2HB HIS 9 2HB HIS 9 -14.996 18.075 24.577
63 HD1 HIS 9 HD1 HIS 9 -16.866 17.453 26.675
64 HD2 HIS 9 HD2 HIS 9 -15.370 21.330 26.356
65 HE1 HIS 9 HE1 HIS 9 -17.202 18.538 28.938
66 H GLU 10 H GLU 10 -12.820 18.818 23.874
67 HA GLU 10 HA GLU 10 -11.516 20.253 26.066
68 1HB GLU 10 1HB GLU 10 -10.856 18.026 24.147
69 2HB GLU 10 2HB GLU 10 -9.595 18.710 25.175
70 1HG GLU 10 1HG GLU 10 -12.206 17.474 26.099
71 2HG GLU 10 2HG GLU 10 -10.590 16.801 26.314
72 H PHE 11 H PHE 11 -11.003 19.977 22.531
73 HA PHE 11 HA PHE 11 -8.765 21.772 22.411
74 1HB PHE 11 1HB PHE 11 -10.855 20.797 20.470
75 2HB PHE 11 2HB PHE 11 -9.563 21.880 19.964
76 HD1 PHE 11 HD1 PHE 11 -7.225 21.153 19.965
77 HD2 PHE 11 HD2 PHE 11 -10.381 18.490 21.148
78 HE1 PHE 11 HE1 PHE 11 -5.676 19.228 19.764
79 HE2 PHE 11 HE2 PHE 11 -8.832 16.567 20.949
80 HZ PHE 11 HZ PHE 11 -6.481 16.936 20.257
81 H GLN 12 H GLN 12 -12.201 22.319 22.699
82 HA GLN 12 HA GLN 12 -12.628 24.800 21.511
83 1HB GLN 12 1HB GLN 12 -14.291 23.487 22.787
84 2HB GLN 12 2HB GLN 12 -13.445 23.870 24.287
85 1HG GLN 12 1HG GLN 12 -13.780 26.341 23.635
86 2HG GLN 12 2HG GLN 12 -14.945 25.746 22.454
87 2HE2 GLN 12 2HE2 GLN 12 -16.195 27.275 24.234
88 1HE2 GLN 12 1HE2 GLN 12 -16.975 26.383 25.450
89 H ALA 13 H ALA 13 -11.161 24.205 24.722
90 HA ALA 13 HA ALA 13 -10.640 26.900 25.432
91 1HB ALA 13 1HB ALA 13 -8.671 25.662 26.673
92 2HB ALA 13 2HB ALA 13 -10.337 25.273 27.098
93 3HB ALA 13 3HB ALA 13 -9.430 24.208 26.024
94 H PHE 14 H PHE 14 -9.207 24.898 22.990
95 HA PHE 14 HA PHE 14 -6.725 26.490 22.824
96 1HB PHE 14 1HB PHE 14 -7.869 24.276 21.092
97 2HB PHE 14 2HB PHE 14 -6.208 24.855 21.068
98 HD1 PHE 14 HD1 PHE 14 -6.758 25.233 24.354
99 HD2 PHE 14 HD2 PHE 14 -6.609 22.034 21.492
100 HE1 PHE 14 HE1 PHE 14 -6.181 23.639 26.165
101 HE2 PHE 14 HE2 PHE 14 -6.034 20.441 23.299
102 HZ PHE 14 HZ PHE 14 -5.819 21.242 25.637
103 H MET 15 H MET 15 -9.681 27.416 22.121
104 HA MET 15 HA MET 15 -9.207 28.252 19.306
105 1HB MET 15 1HB MET 15 -11.582 28.618 19.297
106 2HB MET 15 2HB MET 15 -11.314 27.097 20.139
107 1HG MET 15 1HG MET 15 -11.249 28.594 22.285
108 2HG MET 15 2HG MET 15 -12.068 29.781 21.273
109 1HE MET 15 1HE MET 15 -13.685 30.073 22.545
110 2HE MET 15 2HE MET 15 -15.234 29.416 21.998
111 3HE MET 15 3HE MET 15 -14.539 28.887 23.528
112 H LYS 16 H LYS 16 -8.185 30.210 19.119
113 HA LYS 16 HA LYS 16 -8.442 32.235 21.272
114 1HB LYS 16 1HB LYS 16 -6.237 31.651 20.357
115 2HB LYS 16 2HB LYS 16 -6.785 32.061 18.733
116 1HG LYS 16 1HG LYS 16 -7.263 34.395 19.590
117 2HG LYS 16 2HG LYS 16 -6.458 33.936 21.090
118 1HD LYS 16 1HD LYS 16 -4.431 33.322 19.740
119 2HD LYS 16 2HD LYS 16 -5.240 33.970 18.314
120 1HE LYS 16 1HE LYS 16 -5.401 36.185 19.397
121 2HE LYS 16 2HE LYS 16 -4.603 35.536 20.843
122 1HZ LYS 16 1HZ LYS 16 -3.318 34.992 18.285
123 2HZ LYS 16 2HZ LYS 16 -3.257 36.603 18.810
124 3HZ LYS 16 3HZ LYS 16 -2.621 35.368 19.787
125 H ASN 17 H ASN 17 -10.766 32.678 20.708
126 HA ASN 17 HA ASN 17 -12.358 34.132 19.733
127 1HB ASN 17 1HB ASN 17 -10.219 35.581 19.930
128 2HB ASN 17 2HB ASN 17 -10.030 35.294 18.200
129 2HD2 ASN 17 2HD2 ASN 17 -11.187 37.588 20.237
130 1HD2 ASN 17 1HD2 ASN 17 -12.462 38.209 19.304
131 H GLY 18 H GLY 18 -12.414 31.712 18.568
132 1HA GLY 18 1HA GLY 18 -12.975 32.346 15.754
133 2HA GLY 18 2HA GLY 18 -13.356 30.830 16.569
134 H LYS 19 H LYS 19 -10.163 31.814 17.162
135 HA LYS 19 HA LYS 19 -9.063 30.396 14.789
136 1HB LYS 19 1HB LYS 19 -8.314 32.676 15.815
137 2HB LYS 19 2HB LYS 19 -7.514 31.684 17.035
138 1HG LYS 19 1HG LYS 19 -7.113 31.308 14.055
139 2HG LYS 19 2HG LYS 19 -6.057 32.301 15.057
140 1HD LYS 19 1HD LYS 19 -5.676 30.297 16.526
141 2HD LYS 19 2HD LYS 19 -6.594 29.334 15.368
142 1HE LYS 19 1HE LYS 19 -4.285 31.006 14.395
143 2HE LYS 19 2HE LYS 19 -3.980 29.422 15.134
144 1HZ LYS 19 1HZ LYS 19 -5.833 28.595 13.637
145 2HZ LYS 19 2HZ LYS 19 -5.678 30.058 12.786
146 3HZ LYS 19 3HZ LYS 19 -4.369 28.982 12.866
147 H LEU 20 H LEU 20 -8.902 28.195 15.052
148 HA LEU 20 HA LEU 20 -8.502 27.046 17.756
149 1HB LEU 20 1HB LEU 20 -10.122 26.301 15.839
150 2HB LEU 20 2HB LEU 20 -8.687 25.545 15.149
151 HG LEU 20 HG LEU 20 -9.979 24.984 17.827
152 1HD1 LEU 20 1HD1 LEU 20 -10.588 23.856 15.524
153 2HD1 LEU 20 2HD1 LEU 20 -9.090 22.964 15.791
154 3HD1 LEU 20 3HD1 LEU 20 -10.401 22.858 16.965
155 1HD2 LEU 20 1HD2 LEU 20 -7.229 24.225 16.807
156 2HD2 LEU 20 2HD2 LEU 20 -7.619 25.101 18.288
157 3HD2 LEU 20 3HD2 LEU 20 -8.029 23.391 18.140
158 H PHE 21 H PHE 21 -6.321 27.231 18.338
159 HA PHE 21 HA PHE 21 -4.244 26.606 16.305
160 1HB PHE 21 1HB PHE 21 -2.749 27.301 18.302
161 2HB PHE 21 2HB PHE 21 -3.756 28.548 17.574
162 HD1 PHE 21 HD1 PHE 21 -3.383 26.282 20.481
163 HD2 PHE 21 HD2 PHE 21 -5.606 29.534 18.765
164 HE1 PHE 21 HE1 PHE 21 -4.456 26.705 22.674
165 HE2 PHE 21 HE2 PHE 21 -6.677 29.957 20.963
166 HZ PHE 21 HZ PHE 21 -6.101 28.544 22.915
167 H CYS 22 H CYS 22 -5.365 24.311 16.502
168 HA CYS 22 HA CYS 22 -5.081 22.580 18.673
169 1HB CYS 22 1HB CYS 22 -5.871 22.423 16.081
170 2HB CYS 22 2HB CYS 22 -4.361 21.516 16.002
171 HA PRO 23 HA PRO 23 -0.603 21.503 17.109
172 1HB PRO 23 1HB PRO 23 0.438 23.901 15.906
173 2HB PRO 23 2HB PRO 23 0.212 22.315 15.163
174 1HG PRO 23 1HG PRO 23 -1.292 24.705 14.685
175 2HG PRO 23 2HG PRO 23 -1.544 23.110 13.973
176 1HD PRO 23 1HD PRO 23 -3.159 24.462 15.950
177 2HD PRO 23 2HD PRO 23 -3.455 22.882 15.195
178 H GLN 24 H GLN 24 -0.744 21.862 19.486
179 HA GLN 24 HA GLN 24 0.714 24.335 20.362
180 1HB GLN 24 1HB GLN 24 -1.566 24.347 21.147
181 2HB GLN 24 2HB GLN 24 -1.458 22.660 21.651
182 1HG GLN 24 1HG GLN 24 0.282 23.298 23.314
183 2HG GLN 24 2HG GLN 24 0.086 24.986 22.841
184 2HE2 GLN 24 2HE2 GLN 24 -1.757 22.202 24.169
185 1HE2 GLN 24 1HE2 GLN 24 -2.884 23.152 25.012
186 H ASP 25 H ASP 25 -0.068 21.509 22.308
187 HA ASP 25 HA ASP 25 2.843 20.784 22.370
188 1HB ASP 25 1HB ASP 25 1.579 22.082 24.338
189 2HB ASP 25 2HB ASP 25 1.068 20.446 24.755
190 H LYS 26 H LYS 26 2.012 19.166 20.691
191 HA LYS 26 HA LYS 26 0.100 17.135 21.356
192 1HB LYS 26 1HB LYS 26 2.342 17.509 19.391
193 2HB LYS 26 2HB LYS 26 1.540 15.941 19.497
194 1HG LYS 26 1HG LYS 26 -0.656 17.087 19.181
195 2HG LYS 26 2HG LYS 26 0.203 18.613 18.966
196 1HD LYS 26 1HD LYS 26 1.533 17.338 17.125
197 2HD LYS 26 2HD LYS 26 0.204 16.182 17.184
198 1HE LYS 26 1HE LYS 26 -1.346 18.248 16.923
199 2HE LYS 26 2HE LYS 26 0.120 19.100 16.404
200 1HZ LYS 26 1HZ LYS 26 0.437 16.917 15.013
201 2HZ LYS 26 2HZ LYS 26 -1.248 16.814 15.161
202 3HZ LYS 26 3HZ LYS 26 -0.544 18.175 14.427
203 H LYS 27 H LYS 27 3.143 17.699 22.720
204 HA LYS 27 HA LYS 27 4.496 15.323 23.012
205 1HB LYS 27 1HB LYS 27 3.684 17.357 25.111
206 2HB LYS 27 2HB LYS 27 4.957 16.161 25.343
207 1HG LYS 27 1HG LYS 27 4.946 18.098 23.019
208 2HG LYS 27 2HG LYS 27 5.738 18.456 24.553
209 1HD LYS 27 1HD LYS 27 7.168 16.497 24.322
210 2HD LYS 27 2HD LYS 27 6.314 16.009 22.857
211 1HE LYS 27 1HE LYS 27 6.996 18.336 21.924
212 2HE LYS 27 2HE LYS 27 8.168 18.364 23.256
213 1HZ LYS 27 1HZ LYS 27 8.749 16.022 22.515
214 2HZ LYS 27 2HZ LYS 27 7.902 16.364 21.082
215 3HZ LYS 27 3HZ LYS 27 9.267 17.280 21.498
216 H PHE 28 H PHE 28 1.285 16.050 24.249
217 HA PHE 28 HA PHE 28 0.950 14.116 26.257
218 1HB PHE 28 1HB PHE 28 -0.995 14.892 24.059
219 2HB PHE 28 2HB PHE 28 -1.417 14.283 25.659
220 HD1 PHE 28 HD1 PHE 28 -0.091 15.657 27.632
221 HD2 PHE 28 HD2 PHE 28 -1.212 17.186 23.779
222 HE1 PHE 28 HE1 PHE 28 -0.025 17.969 28.528
223 HE2 PHE 28 HE2 PHE 28 -1.147 19.496 24.674
224 HZ PHE 28 HZ PHE 28 -0.551 19.889 27.046
225 H PHE 29 H PHE 29 1.461 13.651 22.855
226 HA PHE 29 HA PHE 29 0.222 11.223 22.253
227 1HB PHE 29 1HB PHE 29 1.608 12.650 20.752
228 2HB PHE 29 2HB PHE 29 3.053 12.105 21.599
229 HD1 PHE 29 HD1 PHE 29 3.312 9.474 21.796
230 HD2 PHE 29 HD2 PHE 29 0.908 11.482 18.857
231 HE1 PHE 29 HE1 PHE 29 3.397 7.460 20.352
232 HE2 PHE 29 HE2 PHE 29 0.992 9.468 17.413
233 HZ PHE 29 HZ PHE 29 2.237 7.457 18.160
234 H GLN 30 H GLN 30 2.778 11.803 24.545
235 HA GLN 30 HA GLN 30 3.901 9.149 24.630
236 1HB GLN 30 1HB GLN 30 3.786 11.527 26.492
237 2HB GLN 30 2HB GLN 30 4.660 10.056 26.919
238 1HG GLN 30 1HG GLN 30 5.729 10.357 24.527
239 2HG GLN 30 2HG GLN 30 5.230 12.036 24.734
240 2HE2 GLN 30 2HE2 GLN 30 6.637 13.343 25.920
241 1HE2 GLN 30 1HE2 GLN 30 7.878 12.768 26.924
242 H SER 31 H SER 31 0.806 10.170 25.436
243 HA SER 31 HA SER 31 0.475 7.843 27.296
244 1HB SER 31 1HB SER 31 -0.635 10.655 27.572
245 2HB SER 31 2HB SER 31 -1.029 9.308 28.640
246 HG SER 31 HG SER 31 1.298 10.801 28.424
247 H LEU 32 H LEU 32 -1.743 6.988 27.291
248 HA LEU 32 HA LEU 32 -2.946 6.783 24.725
249 1HB LEU 32 1HB LEU 32 -3.111 5.414 26.988
250 2HB LEU 32 2HB LEU 32 -4.515 6.446 27.255
251 HG LEU 32 HG LEU 32 -4.148 4.989 24.642
252 1HD1 LEU 32 1HD1 LEU 32 -5.470 3.938 27.162
253 2HD1 LEU 32 2HD1 LEU 32 -5.576 3.183 25.572
254 3HD1 LEU 32 3HD1 LEU 32 -4.023 3.279 26.399
255 1HD2 LEU 32 1HD2 LEU 32 -6.394 6.306 26.155
256 2HD2 LEU 32 2HD2 LEU 32 -5.875 6.575 24.490
257 3HD2 LEU 32 3HD2 LEU 32 -6.740 5.098 24.917
258 H ASP 33 H ASP 33 -3.942 8.710 27.560
259 HA ASP 33 HA ASP 33 -6.241 9.929 26.435
260 1HB ASP 33 1HB ASP 33 -5.284 9.954 28.830
261 2HB ASP 33 2HB ASP 33 -4.251 11.273 28.279
262 H GLY 34 H GLY 34 -2.810 10.831 26.266
263 1HA GLY 34 1HA GLY 34 -1.718 12.426 24.921
264 2HA GLY 34 2HA GLY 34 -3.261 13.266 24.773
265 H ILE 35 H ILE 35 -2.350 9.945 23.884
266 HA ILE 35 HA ILE 35 -2.135 10.292 21.084
267 HB ILE 35 HB ILE 35 -2.911 8.058 22.949
268 1HG1 ILE 35 1HG1 ILE 35 -0.554 8.668 22.780
269 2HG1 ILE 35 2HG1 ILE 35 -0.803 7.100 22.009
270 1HG2 ILE 35 1HG2 ILE 35 -3.019 8.035 19.926
271 2HG2 ILE 35 2HG2 ILE 35 -2.759 6.562 20.862
272 3HG2 ILE 35 3HG2 ILE 35 -4.249 7.484 21.064
273 1HD1 ILE 35 1HD1 ILE 35 -1.269 8.830 19.925
274 2HD1 ILE 35 2HD1 ILE 35 -0.004 9.675 20.817
275 3HD1 ILE 35 3HD1 ILE 35 0.273 8.034 20.236
276 H MET 36 H MET 36 -4.974 9.845 23.156
277 HA MET 36 HA MET 36 -6.889 9.584 20.998
278 1HB MET 36 1HB MET 36 -6.819 9.894 23.927
279 2HB MET 36 2HB MET 36 -8.241 10.607 23.163
280 1HG MET 36 1HG MET 36 -8.646 8.458 21.975
281 2HG MET 36 2HG MET 36 -7.268 7.753 22.820
282 1HE MET 36 1HE MET 36 -8.310 5.934 23.718
283 2HE MET 36 2HE MET 36 -9.605 5.847 24.909
284 3HE MET 36 3HE MET 36 -9.992 6.159 23.218
285 H PHE 37 H PHE 37 -6.484 12.311 23.303
286 HA PHE 37 HA PHE 37 -7.969 14.230 21.935
287 1HB PHE 37 1HB PHE 37 -7.209 15.342 23.754
288 2HB PHE 37 2HB PHE 37 -6.010 14.080 24.028
289 HD1 PHE 37 HD1 PHE 37 -3.715 14.317 23.203
290 HD2 PHE 37 HD2 PHE 37 -6.636 17.400 22.582
291 HE1 PHE 37 HE1 PHE 37 -1.913 15.891 22.565
292 HE2 PHE 37 HE2 PHE 37 -4.832 18.978 21.942
293 HZ PHE 37 HZ PHE 37 -2.472 18.218 21.932
294 H ILE 38 H ILE 38 -4.459 13.588 21.499
295 HA ILE 38 HA ILE 38 -3.892 15.376 19.429
296 HB ILE 38 HB ILE 38 -3.006 12.540 20.003
297 1HG1 ILE 38 1HG1 ILE 38 -1.822 15.290 20.471
298 2HG1 ILE 38 2HG1 ILE 38 -2.360 14.141 21.693
299 1HG2 ILE 38 1HG2 ILE 38 -2.689 13.055 17.589
300 2HG2 ILE 38 2HG2 ILE 38 -1.789 14.504 18.035
301 3HG2 ILE 38 3HG2 ILE 38 -1.151 12.911 18.441
302 1HD1 ILE 38 1HD1 ILE 38 -0.443 12.894 19.918
303 2HD1 ILE 38 2HD1 ILE 38 0.230 14.370 20.610
304 3HD1 ILE 38 3HD1 ILE 38 -0.367 13.092 21.668
305 H ASN 39 H ASN 39 -5.489 12.209 19.250
306 HA ASN 39 HA ASN 39 -5.690 12.142 16.361
307 1HB ASN 39 1HB ASN 39 -7.253 10.811 18.599
308 2HB ASN 39 2HB ASN 39 -7.372 10.355 16.900
309 2HD2 ASN 39 2HD2 ASN 39 -6.402 8.556 18.965
310 1HD2 ASN 39 1HD2 ASN 39 -4.770 8.225 18.631
311 H LYS 40 H LYS 40 -7.694 13.392 18.980
312 HA LYS 40 HA LYS 40 -9.941 14.097 17.231
313 1HB LYS 40 1HB LYS 40 -10.038 13.448 19.681
314 2HB LYS 40 2HB LYS 40 -9.273 14.991 20.054
315 1HG LYS 40 1HG LYS 40 -11.161 16.112 18.775
316 2HG LYS 40 2HG LYS 40 -11.960 14.540 18.731
317 1HD LYS 40 1HD LYS 40 -12.126 14.454 21.116
318 2HD LYS 40 2HD LYS 40 -11.020 15.815 21.310
319 1HE LYS 40 1HE LYS 40 -12.649 17.351 20.357
320 2HE LYS 40 2HE LYS 40 -13.730 16.006 19.943
321 1HZ LYS 40 1HZ LYS 40 -13.325 15.470 22.488
322 2HZ LYS 40 2HZ LYS 40 -13.095 17.152 22.563
323 3HZ LYS 40 3HZ LYS 40 -14.562 16.523 21.988
324 H CYS 41 H CYS 41 -6.916 15.474 18.097
325 HA CYS 41 HA CYS 41 -7.492 18.275 18.000
326 1HB CYS 41 1HB CYS 41 -5.393 17.439 18.827
327 2HB CYS 41 2HB CYS 41 -5.083 16.562 17.333
328 H ALA 42 H ALA 42 -5.807 16.430 15.466
329 HA ALA 42 HA ALA 42 -6.165 18.227 13.343
330 1HB ALA 42 1HB ALA 42 -6.130 15.191 13.359
331 2HB ALA 42 2HB ALA 42 -5.825 16.190 11.938
332 3HB ALA 42 3HB ALA 42 -4.716 16.245 13.307
333 H THR 43 H THR 43 -8.442 15.891 14.685
334 HA THR 43 HA THR 43 -10.370 16.140 12.501
335 HB THR 43 HB THR 43 -10.600 15.079 15.339
336 HG1 THR 43 HG1 THR 43 -9.050 14.207 13.595
337 1HG2 THR 43 1HG2 THR 43 -12.642 15.613 13.603
338 2HG2 THR 43 2HG2 THR 43 -12.243 13.953 13.161
339 3HG2 THR 43 3HG2 THR 43 -12.687 14.340 14.824
340 H CYS 44 H CYS 44 -10.333 17.196 15.926
341 HA CYS 44 HA CYS 44 -12.672 18.691 16.041
342 1HB CYS 44 1HB CYS 44 -11.026 18.279 17.870
343 2HB CYS 44 2HB CYS 44 -9.933 19.442 17.120
344 H LYS 45 H LYS 45 -9.608 19.545 14.489
345 HA LYS 45 HA LYS 45 -10.107 22.302 13.977
346 1HB LYS 45 1HB LYS 45 -7.934 21.245 13.699
347 2HB LYS 45 2HB LYS 45 -8.577 20.164 12.463
348 1HG LYS 45 1HG LYS 45 -9.276 22.525 11.367
349 2HG LYS 45 2HG LYS 45 -7.855 23.047 12.273
350 1HD LYS 45 1HD LYS 45 -6.648 21.036 11.223
351 2HD LYS 45 2HD LYS 45 -8.022 20.931 10.121
352 1HE LYS 45 1HE LYS 45 -7.611 23.175 9.291
353 2HE LYS 45 2HE LYS 45 -6.364 23.448 10.522
354 1HZ LYS 45 1HZ LYS 45 -6.097 21.034 8.913
355 2HZ LYS 45 2HZ LYS 45 -5.820 22.498 8.094
356 3HZ LYS 45 3HZ LYS 45 -4.901 22.101 9.468
357 H MET 46 H MET 46 -10.801 19.423 11.945
358 HA MET 46 HA MET 46 -11.976 20.838 9.766
359 1HB MET 46 1HB MET 46 -12.783 18.652 9.136
360 2HB MET 46 2HB MET 46 -11.215 18.426 9.908
361 1HG MET 46 1HG MET 46 -12.144 17.098 11.459
362 2HG MET 46 2HG MET 46 -13.250 18.385 11.928
363 1HE MET 46 1HE MET 46 -12.517 15.361 9.749
364 2HE MET 46 2HE MET 46 -13.913 15.201 8.686
365 3HE MET 46 3HE MET 46 -12.788 16.550 8.477
366 H ILE 47 H ILE 47 -13.153 20.089 12.937
367 HA ILE 47 HA ILE 47 -15.990 20.255 12.410
368 HB ILE 47 HB ILE 47 -14.426 20.894 14.933
369 1HG1 ILE 47 1HG1 ILE 47 -13.670 18.746 14.136
370 2HG1 ILE 47 2HG1 ILE 47 -14.824 18.445 15.436
371 1HG2 ILE 47 1HG2 ILE 47 -17.072 21.216 14.525
372 2HG2 ILE 47 2HG2 ILE 47 -17.056 19.503 14.942
373 3HG2 ILE 47 3HG2 ILE 47 -16.409 20.691 16.072
374 1HD1 ILE 47 1HD1 ILE 47 -15.481 18.407 12.473
375 2HD1 ILE 47 2HD1 ILE 47 -15.249 16.978 13.482
376 3HD1 ILE 47 3HD1 ILE 47 -16.607 18.062 13.786
377 H LEU 48 H LEU 48 -13.457 22.613 13.128
378 HA LEU 48 HA LEU 48 -15.255 24.856 13.568
379 1HB LEU 48 1HB LEU 48 -12.313 24.424 13.070
380 2HB LEU 48 2HB LEU 48 -12.974 26.058 13.108
381 HG LEU 48 HG LEU 48 -12.202 25.497 15.337
382 1HD1 LEU 48 1HD1 LEU 48 -14.679 26.452 14.777
383 2HD1 LEU 48 2HD1 LEU 48 -15.106 25.036 15.738
384 3HD1 LEU 48 3HD1 LEU 48 -14.059 26.281 16.420
385 1HD2 LEU 48 1HD2 LEU 48 -12.302 23.022 15.005
386 2HD2 LEU 48 2HD2 LEU 48 -13.013 23.537 16.535
387 3HD2 LEU 48 3HD2 LEU 48 -14.056 23.102 15.180
388 H GLU 49 H GLU 49 -13.325 23.669 10.804
389 HA GLU 49 HA GLU 49 -14.090 25.833 9.027
390 1HB GLU 49 1HB GLU 49 -12.991 24.422 7.360
391 2HB GLU 49 2HB GLU 49 -12.057 24.379 8.856
392 1HG GLU 49 1HG GLU 49 -13.136 22.257 9.478
393 2HG GLU 49 2HG GLU 49 -14.094 22.300 7.999
394 H LYS 50 H LYS 50 -15.488 22.728 9.884
395 HA LYS 50 HA LYS 50 -17.199 22.269 7.675
396 1HB LYS 50 1HB LYS 50 -16.962 21.528 10.515
397 2HB LYS 50 2HB LYS 50 -18.611 21.439 9.897
398 1HG LYS 50 1HG LYS 50 -17.383 20.245 7.848
399 2HG LYS 50 2HG LYS 50 -16.195 19.872 9.097
400 1HD LYS 50 1HD LYS 50 -17.575 18.085 9.472
401 2HD LYS 50 2HD LYS 50 -18.472 19.262 10.430
402 1HE LYS 50 1HE LYS 50 -20.009 19.686 8.617
403 2HE LYS 50 2HE LYS 50 -19.011 18.754 7.484
404 1HZ LYS 50 1HZ LYS 50 -19.279 16.851 9.100
405 2HZ LYS 50 2HZ LYS 50 -20.495 17.765 9.859
406 3HZ LYS 50 3HZ LYS 50 -20.679 17.278 8.242
407 H GLU 51 H GLU 51 -17.695 24.294 10.569
408 HA GLU 51 HA GLU 51 -20.408 25.027 10.071
409 1HB GLU 51 1HB GLU 51 -18.078 26.379 11.458
410 2HB GLU 51 2HB GLU 51 -19.730 26.992 11.540
411 1HG GLU 51 1HG GLU 51 -20.509 25.014 12.633
412 2HG GLU 51 2HG GLU 51 -19.016 24.146 12.278
413 H ALA 52 H ALA 52 -17.406 26.101 8.628
414 HA ALA 52 HA ALA 52 -18.465 28.589 7.528
415 1HB ALA 52 1HB ALA 52 -15.986 27.279 7.882
416 2HB ALA 52 2HB ALA 52 -16.180 27.472 6.140
417 3HB ALA 52 3HB ALA 52 -16.248 28.884 7.196
418 H LYS 53 H LYS 53 -18.797 28.941 5.199
419 HA LYS 53 HA LYS 53 -20.504 27.079 3.923
420 1HB LYS 53 1HB LYS 53 -20.246 29.527 3.464
421 2HB LYS 53 2HB LYS 53 -18.705 29.185 2.679
422 1HG LYS 53 1HG LYS 53 -19.917 27.640 1.113
423 2HG LYS 53 2HG LYS 53 -21.436 28.171 1.836
424 1HD LYS 53 1HD LYS 53 -20.920 30.503 1.201
425 2HD LYS 53 2HD LYS 53 -19.409 29.966 0.468
426 1HE LYS 53 1HE LYS 53 -20.669 28.557 -1.125
427 2HE LYS 53 2HE LYS 53 -22.193 29.082 -0.384
428 1HZ LYS 53 1HZ LYS 53 -20.243 31.126 -1.181
429 2HZ LYS 53 2HZ LYS 53 -21.156 30.385 -2.407
430 3HZ LYS 53 3HZ LYS 53 -21.939 31.210 -1.149
431 H SER 54 H SER 54 -17.009 27.254 4.006
432 HA SER 54 HA SER 54 -15.354 25.958 2.906
433 1HB SER 54 1HB SER 54 -17.648 23.994 3.227
434 2HB SER 54 2HB SER 54 -15.956 23.554 2.998
435 HG SER 54 HG SER 54 -17.250 24.326 5.245
436 H GLN 55 H GLN 55 -16.863 27.513 1.058
437 HA GLN 55 HA GLN 55 -18.032 26.057 -1.095
438 1HB GLN 55 1HB GLN 55 -18.196 28.490 -0.732
439 2HB GLN 55 2HB GLN 55 -16.469 28.660 -1.048
440 1HG GLN 55 1HG GLN 55 -16.853 27.682 -3.327
441 2HG GLN 55 2HG GLN 55 -18.584 27.702 -2.998
442 2HE2 GLN 55 2HE2 GLN 55 -18.896 29.301 -4.752
443 1HE2 GLN 55 1HE2 GLN 55 -18.458 30.925 -4.523
No H/Q in entry = 443
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -24.797 22.795 11.524
2 H2 LYS 1 H2 LYS 1 -26.481 22.966 11.384
3 H3 LYS 1 H3 LYS 1 -25.508 24.334 11.627
4 HA LYS 1 HA LYS 1 -25.276 23.974 13.848
5 1HB LYS 1 1HB LYS 1 -27.685 24.108 13.168
6 2HB LYS 1 2HB LYS 1 -27.741 22.346 13.146
7 1HG LYS 1 1HG LYS 1 -28.540 22.885 15.296
8 2HG LYS 1 2HG LYS 1 -26.841 22.510 15.580
9 1HD LYS 1 1HD LYS 1 -26.320 24.948 15.405
10 2HD LYS 1 2HD LYS 1 -28.048 25.274 15.253
11 1HE LYS 1 1HE LYS 1 -28.465 24.319 17.467
12 2HE LYS 1 2HE LYS 1 -26.758 23.857 17.615
13 1HZ LYS 1 1HZ LYS 1 -27.780 26.623 17.204
14 2HZ LYS 1 2HZ LYS 1 -27.188 26.006 18.672
15 3HZ LYS 1 3HZ LYS 1 -26.145 26.182 17.346
16 H ASN 2 H ASN 2 -23.394 22.615 14.102
17 HA ASN 2 HA ASN 2 -22.225 20.602 14.574
18 1HB ASN 2 1HB ASN 2 -24.896 20.301 15.984
19 2HB ASN 2 2HB ASN 2 -23.470 19.329 16.347
20 2HD2 ASN 2 2HD2 ASN 2 -24.947 21.470 17.995
21 1HD2 ASN 2 1HD2 ASN 2 -23.724 22.552 18.455
22 H GLU 3 H GLU 3 -22.776 20.145 12.093
23 HA GLU 3 HA GLU 3 -24.756 18.045 11.606
24 1HB GLU 3 1HB GLU 3 -22.487 19.190 9.945
25 2HB GLU 3 2HB GLU 3 -23.785 18.169 9.326
26 1HG GLU 3 1HG GLU 3 -25.451 19.834 9.912
27 2HG GLU 3 2HG GLU 3 -24.236 20.821 10.724
28 H ASP 4 H ASP 4 -21.566 18.110 12.821
29 HA ASP 4 HA ASP 4 -20.745 15.498 11.747
30 1HB ASP 4 1HB ASP 4 -19.661 17.555 13.669
31 2HB ASP 4 2HB ASP 4 -18.887 15.979 13.515
32 H GLN 5 H GLN 5 -22.319 16.760 14.613
33 HA GLN 5 HA GLN 5 -23.482 15.578 16.304
34 1HB GLN 5 1HB GLN 5 -23.326 13.832 14.193
35 2HB GLN 5 2HB GLN 5 -22.510 12.925 15.467
36 1HG GLN 5 1HG GLN 5 -24.424 13.173 16.943
37 2HG GLN 5 2HG GLN 5 -25.223 14.242 15.790
38 2HE2 GLN 5 2HE2 GLN 5 -25.858 11.375 16.873
39 1HE2 GLN 5 1HE2 GLN 5 -26.185 10.493 15.461
40 H GLU 6 H GLU 6 -20.308 14.129 15.518
41 HA GLU 6 HA GLU 6 -19.474 13.015 17.872
42 1HB GLU 6 1HB GLU 6 -17.961 15.004 16.148
43 2HB GLU 6 2HB GLU 6 -17.212 13.849 17.249
44 1HG GLU 6 1HG GLU 6 -18.445 12.024 15.956
45 2HG GLU 6 2HG GLU 6 -18.822 13.260 14.755
46 H MET 7 H MET 7 -20.003 16.445 17.295
47 HA MET 7 HA MET 7 -19.951 18.295 18.765
48 1HB MET 7 1HB MET 7 -20.752 15.887 20.382
49 2HB MET 7 2HB MET 7 -20.596 17.456 21.171
50 1HG MET 7 1HG MET 7 -22.229 18.440 19.683
51 2HG MET 7 2HG MET 7 -22.271 16.983 18.689
52 1HE MET 7 1HE MET 7 -24.252 16.462 18.511
53 2HE MET 7 2HE MET 7 -25.290 15.610 19.663
54 3HE MET 7 3HE MET 7 -25.378 17.363 19.523
55 H CYS 8 H CYS 8 -17.368 17.092 18.209
56 HA CYS 8 HA CYS 8 -15.694 16.438 20.321
57 1HB CYS 8 1HB CYS 8 -14.990 16.611 17.990
58 2HB CYS 8 2HB CYS 8 -15.245 18.356 18.010
59 H HIS 9 H HIS 9 -15.577 19.805 19.187
60 HA HIS 9 HA HIS 9 -15.237 21.795 20.427
61 1HB HIS 9 1HB HIS 9 -17.364 20.239 21.917
62 2HB HIS 9 2HB HIS 9 -16.940 21.896 22.345
63 HD1 HIS 9 HD1 HIS 9 -18.831 19.895 19.877
64 HD2 HIS 9 HD2 HIS 9 -17.467 23.820 20.207
65 HE1 HIS 9 HE1 HIS 9 -20.071 21.234 18.122
66 H GLU 10 H GLU 10 -13.608 19.300 21.159
67 HA GLU 10 HA GLU 10 -13.139 19.619 24.054
68 1HB GLU 10 1HB GLU 10 -13.074 17.407 23.079
69 2HB GLU 10 2HB GLU 10 -11.936 17.934 21.840
70 1HG GLU 10 1HG GLU 10 -10.251 18.394 23.592
71 2HG GLU 10 2HG GLU 10 -11.389 17.850 24.823
72 H PHE 11 H PHE 11 -11.779 20.729 21.027
73 HA PHE 11 HA PHE 11 -9.314 21.706 22.381
74 1HB PHE 11 1HB PHE 11 -10.284 21.334 19.555
75 2HB PHE 11 2HB PHE 11 -8.888 22.356 19.882
76 HD1 PHE 11 HD1 PHE 11 -10.212 19.009 20.982
77 HD2 PHE 11 HD2 PHE 11 -6.808 21.326 19.759
78 HE1 PHE 11 HE1 PHE 11 -8.780 16.997 21.159
79 HE2 PHE 11 HE2 PHE 11 -5.373 19.310 19.940
80 HZ PHE 11 HZ PHE 11 -6.361 17.149 20.640
81 H GLN 12 H GLN 12 -12.434 22.800 21.819
82 HA GLN 12 HA GLN 12 -12.337 25.373 20.791
83 1HB GLN 12 1HB GLN 12 -14.280 24.073 21.800
84 2HB GLN 12 2HB GLN 12 -13.713 24.607 23.383
85 1HG GLN 12 1HG GLN 12 -13.989 26.941 22.747
86 2HG GLN 12 2HG GLN 12 -14.410 26.477 21.098
87 2HE2 GLN 12 2HE2 GLN 12 -16.156 27.984 22.927
88 1HE2 GLN 12 1HE2 GLN 12 -17.535 27.029 23.186
89 H ALA 13 H ALA 13 -11.403 24.378 24.093
90 HA ALA 13 HA ALA 13 -10.791 26.913 25.179
91 1HB ALA 13 1HB ALA 13 -9.365 25.597 26.696
92 2HB ALA 13 2HB ALA 13 -9.369 24.255 25.553
93 3HB ALA 13 3HB ALA 13 -10.862 24.724 26.368
94 H PHE 14 H PHE 14 -9.106 25.002 22.789
95 HA PHE 14 HA PHE 14 -6.627 26.599 23.001
96 1HB PHE 14 1HB PHE 14 -7.424 24.478 20.992
97 2HB PHE 14 2HB PHE 14 -5.795 24.961 21.454
98 HD1 PHE 14 HD1 PHE 14 -6.390 25.230 24.464
99 HD2 PHE 14 HD2 PHE 14 -7.233 22.143 21.599
100 HE1 PHE 14 HE1 PHE 14 -6.402 23.544 26.283
101 HE2 PHE 14 HE2 PHE 14 -7.244 20.457 23.418
102 HZ PHE 14 HZ PHE 14 -6.828 21.158 25.761
103 H MET 15 H MET 15 -9.460 27.538 21.926
104 HA MET 15 HA MET 15 -8.689 28.334 19.182
105 1HB MET 15 1HB MET 15 -10.999 28.806 18.945
106 2HB MET 15 2HB MET 15 -10.960 27.395 19.992
107 1HG MET 15 1HG MET 15 -11.037 28.986 21.964
108 2HG MET 15 2HG MET 15 -11.343 30.284 20.809
109 1HE MET 15 1HE MET 15 -13.002 30.329 19.144
110 2HE MET 15 2HE MET 15 -13.306 28.683 18.572
111 3HE MET 15 3HE MET 15 -14.624 29.647 19.235
112 H LYS 16 H LYS 16 -7.925 30.378 18.742
113 HA LYS 16 HA LYS 16 -7.919 32.375 20.968
114 1HB LYS 16 1HB LYS 16 -5.748 31.692 20.089
115 2HB LYS 16 2HB LYS 16 -6.271 32.041 18.441
116 1HG LYS 16 1HG LYS 16 -6.580 34.429 19.079
117 2HG LYS 16 2HG LYS 16 -5.968 34.057 20.689
118 1HD LYS 16 1HD LYS 16 -3.856 33.215 19.619
119 2HD LYS 16 2HD LYS 16 -4.469 33.789 18.068
120 1HE LYS 16 1HE LYS 16 -2.958 35.461 19.150
121 2HE LYS 16 2HE LYS 16 -4.606 36.092 18.973
122 1HZ LYS 16 1HZ LYS 16 -3.867 34.556 21.378
123 2HZ LYS 16 2HZ LYS 16 -3.442 36.197 21.280
124 3HZ LYS 16 3HZ LYS 16 -5.073 35.738 21.192
125 H ASN 17 H ASN 17 -10.247 32.872 20.356
126 HA ASN 17 HA ASN 17 -11.744 34.447 19.415
127 1HB ASN 17 1HB ASN 17 -9.493 35.754 19.560
128 2HB ASN 17 2HB ASN 17 -9.402 35.481 17.819
129 2HD2 ASN 17 2HD2 ASN 17 -10.339 37.801 19.948
130 1HD2 ASN 17 1HD2 ASN 17 -11.609 38.515 19.079
131 H GLY 18 H GLY 18 -11.923 32.010 18.261
132 1HA GLY 18 1HA GLY 18 -12.408 32.683 15.421
133 2HA GLY 18 2HA GLY 18 -13.021 31.261 16.264
134 H LYS 19 H LYS 19 -9.656 32.213 16.486
135 HA LYS 19 HA LYS 19 -8.802 30.298 14.406
136 1HB LYS 19 1HB LYS 19 -7.798 32.606 15.010
137 2HB LYS 19 2HB LYS 19 -7.089 31.788 16.403
138 1HG LYS 19 1HG LYS 19 -6.750 30.471 13.752
139 2HG LYS 19 2HG LYS 19 -5.823 31.945 14.033
140 1HD LYS 19 1HD LYS 19 -4.978 30.954 16.166
141 2HD LYS 19 2HD LYS 19 -5.826 29.459 15.774
142 1HE LYS 19 1HE LYS 19 -3.555 29.163 15.019
143 2HE LYS 19 2HE LYS 19 -4.511 29.477 13.560
144 1HZ LYS 19 1HZ LYS 19 -3.387 31.723 15.105
145 2HZ LYS 19 2HZ LYS 19 -2.394 30.885 14.010
146 3HZ LYS 19 3HZ LYS 19 -3.802 31.662 13.462
147 H LEU 20 H LEU 20 -7.557 28.391 14.900
148 HA LEU 20 HA LEU 20 -7.734 27.501 17.763
149 1HB LEU 20 1HB LEU 20 -9.372 26.307 16.515
150 2HB LEU 20 2HB LEU 20 -8.289 26.106 15.139
151 HG LEU 20 HG LEU 20 -6.801 24.706 16.632
152 1HD1 LEU 20 1HD1 LEU 20 -8.965 25.441 18.522
153 2HD1 LEU 20 2HD1 LEU 20 -8.444 23.757 18.576
154 3HD1 LEU 20 3HD1 LEU 20 -7.276 25.052 18.843
155 1HD2 LEU 20 1HD2 LEU 20 -8.622 23.837 15.031
156 2HD2 LEU 20 2HD2 LEU 20 -8.072 22.727 16.286
157 3HD2 LEU 20 3HD2 LEU 20 -9.603 23.583 16.476
158 H PHE 21 H PHE 21 -5.682 27.271 18.568
159 HA PHE 21 HA PHE 21 -3.452 26.706 16.675
160 1HB PHE 21 1HB PHE 21 -2.132 27.190 18.875
161 2HB PHE 21 2HB PHE 21 -2.938 28.531 18.069
162 HD1 PHE 21 HD1 PHE 21 -3.148 26.148 20.904
163 HD2 PHE 21 HD2 PHE 21 -4.807 29.659 19.067
164 HE1 PHE 21 HE1 PHE 21 -4.456 26.607 22.961
165 HE2 PHE 21 HE2 PHE 21 -6.113 30.118 21.123
166 HZ PHE 21 HZ PHE 21 -5.938 28.593 23.071
167 H CYS 22 H CYS 22 -4.584 24.451 16.587
168 HA CYS 22 HA CYS 22 -4.664 22.566 18.631
169 1HB CYS 22 1HB CYS 22 -4.882 22.630 15.881
170 2HB CYS 22 2HB CYS 22 -3.489 21.577 16.125
171 HA PRO 23 HA PRO 23 0.008 21.507 17.789
172 1HB PRO 23 1HB PRO 23 1.247 23.948 16.897
173 2HB PRO 23 2HB PRO 23 1.141 22.403 16.049
174 1HG PRO 23 1HG PRO 23 -0.256 24.833 15.451
175 2HG PRO 23 2HG PRO 23 -0.389 23.278 14.626
176 1HD PRO 23 1HD PRO 23 -2.312 24.546 16.366
177 2HD PRO 23 2HD PRO 23 -2.476 23.000 15.503
178 H GLN 24 H GLN 24 -0.540 21.758 20.125
179 HA GLN 24 HA GLN 24 0.668 24.203 21.372
180 1HB GLN 24 1HB GLN 24 -1.616 24.051 21.969
181 2HB GLN 24 2HB GLN 24 -1.550 22.294 22.104
182 1HG GLN 24 1HG GLN 24 -0.298 22.409 24.145
183 2HG GLN 24 2HG GLN 24 0.003 24.133 23.941
184 2HE2 GLN 24 2HE2 GLN 24 -2.850 21.913 24.092
185 1HE2 GLN 24 1HE2 GLN 24 -3.793 22.959 25.038
186 H ASP 25 H ASP 25 -0.045 21.013 22.729
187 HA ASP 25 HA ASP 25 2.882 20.560 23.171
188 1HB ASP 25 1HB ASP 25 0.592 20.742 25.105
189 2HB ASP 25 2HB ASP 25 1.924 19.646 25.472
190 H LYS 26 H LYS 26 1.918 19.222 21.131
191 HA LYS 26 HA LYS 26 0.298 16.947 21.437
192 1HB LYS 26 1HB LYS 26 2.614 17.746 19.706
193 2HB LYS 26 2HB LYS 26 1.972 16.109 19.566
194 1HG LYS 26 1HG LYS 26 -0.314 17.099 19.249
195 2HG LYS 26 2HG LYS 26 0.427 18.699 19.233
196 1HD LYS 26 1HD LYS 26 1.953 17.723 17.364
197 2HD LYS 26 2HD LYS 26 0.725 16.463 17.233
198 1HE LYS 26 1HE LYS 26 -0.980 18.062 16.670
199 2HE LYS 26 2HE LYS 26 0.064 19.425 17.118
200 1HZ LYS 26 1HZ LYS 26 1.093 17.493 15.174
201 2HZ LYS 26 2HZ LYS 26 -0.105 18.568 14.633
202 3HZ LYS 26 3HZ LYS 26 1.347 19.170 15.269
203 H LYS 27 H LYS 27 3.428 17.521 22.799
204 HA LYS 27 HA LYS 27 4.727 15.101 22.975
205 1HB LYS 27 1HB LYS 27 4.126 17.284 24.959
206 2HB LYS 27 2HB LYS 27 5.100 15.897 25.446
207 1HG LYS 27 1HG LYS 27 6.626 16.331 23.529
208 2HG LYS 27 2HG LYS 27 5.675 17.760 23.123
209 1HD LYS 27 1HD LYS 27 6.139 18.650 25.423
210 2HD LYS 27 2HD LYS 27 7.208 17.274 25.694
211 1HE LYS 27 1HE LYS 27 8.476 17.998 23.598
212 2HE LYS 27 2HE LYS 27 7.534 19.500 23.659
213 1HZ LYS 27 1HZ LYS 27 8.833 18.481 26.100
214 2HZ LYS 27 2HZ LYS 27 9.762 19.335 24.963
215 3HZ LYS 27 3HZ LYS 27 8.420 20.075 25.695
216 H PHE 28 H PHE 28 1.608 15.898 24.381
217 HA PHE 28 HA PHE 28 1.288 13.947 26.365
218 1HB PHE 28 1HB PHE 28 -0.686 14.855 24.243
219 2HB PHE 28 2HB PHE 28 -1.104 14.167 25.811
220 HD1 PHE 28 HD1 PHE 28 0.728 15.429 27.667
221 HD2 PHE 28 HD2 PHE 28 -1.278 17.124 24.268
222 HE1 PHE 28 HE1 PHE 28 0.885 17.681 28.696
223 HE2 PHE 28 HE2 PHE 28 -1.120 19.376 25.296
224 HZ PHE 28 HZ PHE 28 -0.039 19.653 27.511
225 H PHE 29 H PHE 29 1.638 13.502 22.931
226 HA PHE 29 HA PHE 29 0.317 11.155 22.300
227 1HB PHE 29 1HB PHE 29 1.888 12.522 20.888
228 2HB PHE 29 2HB PHE 29 3.235 11.761 21.732
229 HD1 PHE 29 HD1 PHE 29 3.254 9.143 21.766
230 HD2 PHE 29 HD2 PHE 29 0.984 11.501 18.984
231 HE1 PHE 29 HE1 PHE 29 3.113 7.199 20.233
232 HE2 PHE 29 HE2 PHE 29 0.842 9.557 17.452
233 HZ PHE 29 HZ PHE 29 1.907 7.406 18.076
234 H GLN 30 H GLN 30 2.955 11.540 24.571
235 HA GLN 30 HA GLN 30 3.781 8.783 24.720
236 1HB GLN 30 1HB GLN 30 4.008 11.273 26.389
237 2HB GLN 30 2HB GLN 30 4.569 9.735 27.046
238 1HG GLN 30 1HG GLN 30 5.732 9.572 24.643
239 2HG GLN 30 2HG GLN 30 5.641 11.329 24.758
240 2HE2 GLN 30 2HE2 GLN 30 7.271 12.331 25.964
241 1HE2 GLN 30 1HE2 GLN 30 8.309 11.527 27.038
242 H SER 31 H SER 31 0.841 10.179 25.564
243 HA SER 31 HA SER 31 0.282 7.955 27.491
244 1HB SER 31 1HB SER 31 0.632 10.006 28.746
245 2HB SER 31 2HB SER 31 -0.445 10.895 27.667
246 HG SER 31 HG SER 31 -1.045 8.991 29.632
247 H LEU 32 H LEU 32 -2.002 7.314 27.511
248 HA LEU 32 HA LEU 32 -3.249 7.128 24.978
249 1HB LEU 32 1HB LEU 32 -3.593 5.836 27.192
250 2HB LEU 32 2HB LEU 32 -4.704 7.138 27.621
251 HG LEU 32 HG LEU 32 -5.831 5.169 26.535
252 1HD1 LEU 32 1HD1 LEU 32 -6.593 7.635 26.403
253 2HD1 LEU 32 2HD1 LEU 32 -5.988 7.596 24.746
254 3HD1 LEU 32 3HD1 LEU 32 -7.289 6.509 25.236
255 1HD2 LEU 32 1HD2 LEU 32 -3.828 4.797 24.966
256 2HD2 LEU 32 2HD2 LEU 32 -5.432 4.649 24.248
257 3HD2 LEU 32 3HD2 LEU 32 -4.486 6.117 24.000
258 H ASP 33 H ASP 33 -3.987 9.334 27.686
259 HA ASP 33 HA ASP 33 -6.127 10.759 26.517
260 1HB ASP 33 1HB ASP 33 -3.865 11.635 28.345
261 2HB ASP 33 2HB ASP 33 -5.326 12.582 28.067
262 H GLY 34 H GLY 34 -2.622 11.170 26.172
263 1HA GLY 34 1HA GLY 34 -1.383 12.489 24.665
264 2HA GLY 34 2HA GLY 34 -2.805 13.516 24.492
265 H ILE 35 H ILE 35 -2.217 10.068 23.820
266 HA ILE 35 HA ILE 35 -2.166 10.173 21.003
267 HB ILE 35 HB ILE 35 -3.057 8.164 23.069
268 1HG1 ILE 35 1HG1 ILE 35 -0.652 8.610 22.767
269 2HG1 ILE 35 2HG1 ILE 35 -1.053 6.978 22.231
270 1HG2 ILE 35 1HG2 ILE 35 -3.044 7.754 20.061
271 2HG2 ILE 35 2HG2 ILE 35 -3.287 6.489 21.265
272 3HG2 ILE 35 3HG2 ILE 35 -4.479 7.777 21.087
273 1HD1 ILE 35 1HD1 ILE 35 -1.448 8.684 19.999
274 2HD1 ILE 35 2HD1 ILE 35 0.102 9.136 20.712
275 3HD1 ILE 35 3HD1 ILE 35 -0.186 7.470 20.212
276 H MET 36 H MET 36 -4.882 10.300 23.255
277 HA MET 36 HA MET 36 -6.941 10.001 21.211
278 1HB MET 36 1HB MET 36 -6.680 10.397 24.094
279 2HB MET 36 2HB MET 36 -8.013 11.330 23.410
280 1HG MET 36 1HG MET 36 -8.751 9.207 22.228
281 2HG MET 36 2HG MET 36 -7.556 8.341 23.196
282 1HE MET 36 1HE MET 36 -10.602 8.735 22.527
283 2HE MET 36 2HE MET 36 -11.180 7.724 23.859
284 3HE MET 36 3HE MET 36 -11.626 9.428 23.782
285 H PHE 37 H PHE 37 -6.202 12.828 23.300
286 HA PHE 37 HA PHE 37 -7.582 14.753 21.806
287 1HB PHE 37 1HB PHE 37 -6.773 15.966 23.532
288 2HB PHE 37 2HB PHE 37 -5.752 14.603 23.977
289 HD1 PHE 37 HD1 PHE 37 -3.432 14.424 22.992
290 HD2 PHE 37 HD2 PHE 37 -5.859 17.937 22.573
291 HE1 PHE 37 HE1 PHE 37 -1.422 15.740 22.388
292 HE2 PHE 37 HE2 PHE 37 -3.851 19.252 21.957
293 HZ PHE 37 HZ PHE 37 -1.634 18.144 21.861
294 H ILE 38 H ILE 38 -4.152 13.741 21.401
295 HA ILE 38 HA ILE 38 -3.471 15.417 19.232
296 HB ILE 38 HB ILE 38 -2.743 12.558 19.937
297 1HG1 ILE 38 1HG1 ILE 38 -1.487 15.268 20.411
298 2HG1 ILE 38 2HG1 ILE 38 -1.993 14.082 21.614
299 1HG2 ILE 38 1HG2 ILE 38 -2.312 13.869 17.477
300 2HG2 ILE 38 2HG2 ILE 38 -0.775 13.953 18.339
301 3HG2 ILE 38 3HG2 ILE 38 -1.535 12.389 18.042
302 1HD1 ILE 38 1HD1 ILE 38 -0.208 12.677 20.000
303 2HD1 ILE 38 2HD1 ILE 38 0.526 14.272 20.159
304 3HD1 ILE 38 3HD1 ILE 38 0.135 13.334 21.600
305 H ASN 39 H ASN 39 -5.291 12.384 19.318
306 HA ASN 39 HA ASN 39 -5.522 12.111 16.429
307 1HB ASN 39 1HB ASN 39 -6.618 10.865 18.918
308 2HB ASN 39 2HB ASN 39 -7.496 10.584 17.414
309 2HD2 ASN 39 2HD2 ASN 39 -3.949 10.963 17.829
310 1HD2 ASN 39 1HD2 ASN 39 -3.561 9.416 17.250
311 H LYS 40 H LYS 40 -7.342 13.708 18.976
312 HA LYS 40 HA LYS 40 -9.649 14.258 17.218
313 1HB LYS 40 1HB LYS 40 -8.848 14.680 20.076
314 2HB LYS 40 2HB LYS 40 -10.150 15.669 19.415
315 1HG LYS 40 1HG LYS 40 -11.422 13.703 18.807
316 2HG LYS 40 2HG LYS 40 -10.076 12.645 19.232
317 1HD LYS 40 1HD LYS 40 -10.534 14.227 21.515
318 2HD LYS 40 2HD LYS 40 -12.134 13.754 20.944
319 1HE LYS 40 1HE LYS 40 -11.299 11.368 20.820
320 2HE LYS 40 2HE LYS 40 -9.813 11.914 21.618
321 1HZ LYS 40 1HZ LYS 40 -12.335 12.809 22.775
322 2HZ LYS 40 2HZ LYS 40 -11.971 11.161 22.969
323 3HZ LYS 40 3HZ LYS 40 -10.898 12.344 23.547
324 H CYS 41 H CYS 41 -6.716 15.815 18.326
325 HA CYS 41 HA CYS 41 -7.139 18.530 18.077
326 1HB CYS 41 1HB CYS 41 -4.970 17.714 18.570
327 2HB CYS 41 2HB CYS 41 -4.940 16.687 17.141
328 H ALA 42 H ALA 42 -5.848 16.780 15.276
329 HA ALA 42 HA ALA 42 -6.733 18.720 13.357
330 1HB ALA 42 1HB ALA 42 -5.123 16.437 13.490
331 2HB ALA 42 2HB ALA 42 -5.388 17.441 12.063
332 3HB ALA 42 3HB ALA 42 -6.386 16.012 12.335
333 H THR 43 H THR 43 -8.219 15.754 14.588
334 HA THR 43 HA THR 43 -10.319 15.600 12.604
335 HB THR 43 HB THR 43 -10.142 14.536 15.442
336 HG1 THR 43 HG1 THR 43 -8.496 14.054 13.641
337 1HG2 THR 43 1HG2 THR 43 -12.409 14.454 14.431
338 2HG2 THR 43 2HG2 THR 43 -11.743 13.570 13.058
339 3HG2 THR 43 3HG2 THR 43 -11.728 12.843 14.665
340 H CYS 44 H CYS 44 -9.862 17.463 15.513
341 HA CYS 44 HA CYS 44 -12.731 18.120 15.779
342 1HB CYS 44 1HB CYS 44 -10.906 17.773 17.619
343 2HB CYS 44 2HB CYS 44 -10.420 19.420 17.217
344 H LYS 45 H LYS 45 -9.668 19.857 15.102
345 HA LYS 45 HA LYS 45 -10.617 22.428 14.591
346 1HB LYS 45 1HB LYS 45 -8.274 21.910 14.508
347 2HB LYS 45 2HB LYS 45 -8.517 20.709 13.240
348 1HG LYS 45 1HG LYS 45 -9.578 23.010 12.115
349 2HG LYS 45 2HG LYS 45 -8.191 23.616 13.019
350 1HD LYS 45 1HD LYS 45 -6.841 21.733 11.942
351 2HD LYS 45 2HD LYS 45 -8.220 21.489 10.869
352 1HE LYS 45 1HE LYS 45 -8.002 23.681 9.931
353 2HE LYS 45 2HE LYS 45 -6.891 24.194 11.215
354 1HZ LYS 45 1HZ LYS 45 -6.376 21.966 9.310
355 2HZ LYS 45 2HZ LYS 45 -5.728 23.525 9.153
356 3HZ LYS 45 3HZ LYS 45 -5.300 22.559 10.484
357 H MET 46 H MET 46 -10.602 19.627 12.380
358 HA MET 46 HA MET 46 -11.694 20.937 10.093
359 1HB MET 46 1HB MET 46 -12.397 18.531 9.562
360 2HB MET 46 2HB MET 46 -10.687 18.763 9.924
361 1HG MET 46 1HG MET 46 -10.890 17.220 11.553
362 2HG MET 46 2HG MET 46 -11.942 18.343 12.416
363 1HE MET 46 1HE MET 46 -11.706 16.253 9.398
364 2HE MET 46 2HE MET 46 -13.112 15.191 9.354
365 3HE MET 46 3HE MET 46 -13.264 16.864 8.823
366 H ILE 47 H ILE 47 -13.190 19.671 13.018
367 HA ILE 47 HA ILE 47 -15.904 19.528 12.141
368 HB ILE 47 HB ILE 47 -14.809 20.330 14.858
369 1HG1 ILE 47 1HG1 ILE 47 -13.658 18.327 14.187
370 2HG1 ILE 47 2HG1 ILE 47 -14.935 17.837 15.297
371 1HG2 ILE 47 1HG2 ILE 47 -17.449 19.513 13.798
372 2HG2 ILE 47 2HG2 ILE 47 -16.959 18.714 15.291
373 3HG2 ILE 47 3HG2 ILE 47 -17.056 20.473 15.224
374 1HD1 ILE 47 1HD1 ILE 47 -15.192 17.807 12.276
375 2HD1 ILE 47 2HD1 ILE 47 -14.801 16.393 13.255
376 3HD1 ILE 47 3HD1 ILE 47 -16.365 17.187 13.440
377 H LEU 48 H LEU 48 -13.936 22.220 13.352
378 HA LEU 48 HA LEU 48 -16.064 24.150 13.545
379 1HB LEU 48 1HB LEU 48 -13.067 24.379 13.114
380 2HB LEU 48 2HB LEU 48 -14.113 25.733 13.545
381 HG LEU 48 HG LEU 48 -14.527 23.425 15.286
382 1HD1 LEU 48 1HD1 LEU 48 -11.763 24.426 14.781
383 2HD1 LEU 48 2HD1 LEU 48 -12.226 24.148 16.460
384 3HD1 LEU 48 3HD1 LEU 48 -12.303 22.827 15.294
385 1HD2 LEU 48 1HD2 LEU 48 -15.235 25.862 15.584
386 2HD2 LEU 48 2HD2 LEU 48 -14.470 25.108 16.983
387 3HD2 LEU 48 3HD2 LEU 48 -13.547 26.207 15.958
388 H GLU 49 H GLU 49 -13.926 23.120 10.908
389 HA GLU 49 HA GLU 49 -14.382 25.202 9.045
390 1HB GLU 49 1HB GLU 49 -14.063 22.205 8.666
391 2HB GLU 49 2HB GLU 49 -13.855 23.403 7.387
392 1HG GLU 49 1HG GLU 49 -12.118 24.513 8.894
393 2HG GLU 49 2HG GLU 49 -12.200 23.066 9.899
394 H LYS 50 H LYS 50 -16.556 22.812 10.276
395 HA LYS 50 HA LYS 50 -18.445 23.038 8.009
396 1HB LYS 50 1HB LYS 50 -18.730 21.647 10.691
397 2HB LYS 50 2HB LYS 50 -19.640 21.313 9.219
398 1HG LYS 50 1HG LYS 50 -16.650 21.106 9.133
399 2HG LYS 50 2HG LYS 50 -17.568 19.804 9.887
400 1HD LYS 50 1HD LYS 50 -18.992 19.742 7.784
401 2HD LYS 50 2HD LYS 50 -17.815 20.831 7.049
402 1HE LYS 50 1HE LYS 50 -16.020 19.127 7.650
403 2HE LYS 50 2HE LYS 50 -17.335 18.016 8.078
404 1HZ LYS 50 1HZ LYS 50 -18.299 18.680 5.818
405 2HZ LYS 50 2HZ LYS 50 -16.747 19.258 5.456
406 3HZ LYS 50 3HZ LYS 50 -16.975 17.614 5.818
407 H GLU 51 H GLU 51 -17.971 24.304 11.252
408 HA GLU 51 HA GLU 51 -20.655 25.266 11.696
409 1HB GLU 51 1HB GLU 51 -17.917 26.034 12.747
410 2HB GLU 51 2HB GLU 51 -19.421 26.683 13.402
411 1HG GLU 51 1HG GLU 51 -20.184 24.352 13.858
412 2HG GLU 51 2HG GLU 51 -18.624 23.756 13.290
413 H ALA 52 H ALA 52 -17.887 26.521 9.937
414 HA ALA 52 HA ALA 52 -18.920 29.252 9.740
415 1HB ALA 52 1HB ALA 52 -16.543 27.722 9.127
416 2HB ALA 52 2HB ALA 52 -16.999 28.705 7.735
417 3HB ALA 52 3HB ALA 52 -16.714 29.469 9.300
418 H LYS 53 H LYS 53 -19.788 30.197 7.798
419 HA LYS 53 HA LYS 53 -21.572 28.520 6.280
420 1HB LYS 53 1HB LYS 53 -21.866 30.939 6.845
421 2HB LYS 53 2HB LYS 53 -20.552 31.327 5.734
422 1HG LYS 53 1HG LYS 53 -21.857 30.194 3.906
423 2HG LYS 53 2HG LYS 53 -23.198 30.021 5.037
424 1HD LYS 53 1HD LYS 53 -23.092 32.535 5.378
425 2HD LYS 53 2HD LYS 53 -21.963 32.594 4.024
426 1HE LYS 53 1HE LYS 53 -23.677 31.489 2.581
427 2HE LYS 53 2HE LYS 53 -24.816 31.545 3.941
428 1HZ LYS 53 1HZ LYS 53 -23.355 33.944 2.989
429 2HZ LYS 53 2HZ LYS 53 -24.868 33.506 2.352
430 3HZ LYS 53 3HZ LYS 53 -24.714 33.882 4.002
431 H SER 54 H SER 54 -18.233 29.027 5.997
432 HA SER 54 HA SER 54 -17.960 28.994 3.110
433 1HB SER 54 1HB SER 54 -15.606 28.636 3.662
434 2HB SER 54 2HB SER 54 -16.284 29.814 4.787
435 HG SER 54 HG SER 54 -15.062 27.620 5.409
436 H GLN 55 H GLN 55 -18.952 26.629 5.320
437 HA GLN 55 HA GLN 55 -17.704 24.253 4.375
438 1HB GLN 55 1HB GLN 55 -19.081 24.479 6.418
439 2HB GLN 55 2HB GLN 55 -20.513 24.745 5.421
440 1HG GLN 55 1HG GLN 55 -20.151 22.503 4.381
441 2HG GLN 55 2HG GLN 55 -18.804 22.239 5.488
442 2HE2 GLN 55 2HE2 GLN 55 -21.026 20.495 5.593
443 1HE2 GLN 55 1HE2 GLN 55 -21.886 20.767 7.031
No H/Q in entry = 443
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -26.804 22.599 24.293
2 H2 LYS 1 H2 LYS 1 -25.267 23.120 24.785
3 H3 LYS 1 H3 LYS 1 -26.603 24.160 24.932
4 HA LYS 1 HA LYS 1 -26.640 24.689 22.719
5 1HB LYS 1 1HB LYS 1 -23.797 23.845 23.370
6 2HB LYS 1 2HB LYS 1 -24.246 24.977 22.093
7 1HG LYS 1 1HG LYS 1 -25.277 26.462 23.782
8 2HG LYS 1 2HG LYS 1 -24.808 25.335 25.055
9 1HD LYS 1 1HD LYS 1 -22.421 25.630 24.379
10 2HD LYS 1 2HD LYS 1 -22.934 26.838 23.202
11 1HE LYS 1 1HE LYS 1 -23.852 28.241 25.003
12 2HE LYS 1 2HE LYS 1 -23.411 27.011 26.202
13 1HZ LYS 1 1HZ LYS 1 -21.470 28.214 24.299
14 2HZ LYS 1 2HZ LYS 1 -21.717 28.818 25.866
15 3HZ LYS 1 3HZ LYS 1 -21.127 27.239 25.648
16 H ASN 2 H ASN 2 -25.346 24.006 20.490
17 HA ASN 2 HA ASN 2 -26.330 21.277 19.911
18 1HB ASN 2 1HB ASN 2 -25.177 23.520 18.223
19 2HB ASN 2 2HB ASN 2 -25.835 22.021 17.570
20 2HD2 ASN 2 2HD2 ASN 2 -26.884 24.829 17.239
21 1HD2 ASN 2 1HD2 ASN 2 -28.478 24.783 17.821
22 H GLU 3 H GLU 3 -24.977 19.548 19.410
23 HA GLU 3 HA GLU 3 -22.166 19.731 20.170
24 1HB GLU 3 1HB GLU 3 -23.702 17.789 20.566
25 2HB GLU 3 2HB GLU 3 -23.738 17.509 18.826
26 1HG GLU 3 1HG GLU 3 -21.302 17.175 18.815
27 2HG GLU 3 2HG GLU 3 -21.239 17.499 20.548
28 H ASP 4 H ASP 4 -23.934 20.169 17.247
29 HA ASP 4 HA ASP 4 -21.801 19.382 15.409
30 1HB ASP 4 1HB ASP 4 -24.395 19.514 15.122
31 2HB ASP 4 2HB ASP 4 -24.108 21.226 14.809
32 H GLN 5 H GLN 5 -21.918 21.843 17.570
33 HA GLN 5 HA GLN 5 -20.560 23.790 15.731
34 1HB GLN 5 1HB GLN 5 -22.694 24.533 16.757
35 2HB GLN 5 2HB GLN 5 -22.032 24.204 18.357
36 1HG GLN 5 1HG GLN 5 -20.163 25.825 17.810
37 2HG GLN 5 2HG GLN 5 -21.062 26.263 16.357
38 2HE2 GLN 5 2HE2 GLN 5 -20.694 26.992 19.670
39 1HE2 GLN 5 1HE2 GLN 5 -22.120 27.889 19.877
40 H GLU 6 H GLU 6 -20.372 21.943 18.694
41 HA GLU 6 HA GLU 6 -17.499 22.716 18.960
42 1HB GLU 6 1HB GLU 6 -19.643 22.757 21.112
43 2HB GLU 6 2HB GLU 6 -17.918 22.946 21.430
44 1HG GLU 6 1HG GLU 6 -17.865 24.933 19.963
45 2HG GLU 6 2HG GLU 6 -19.589 24.743 19.643
46 H MET 7 H MET 7 -18.514 20.324 17.854
47 HA MET 7 HA MET 7 -19.065 18.104 19.368
48 1HB MET 7 1HB MET 7 -17.037 18.491 17.149
49 2HB MET 7 2HB MET 7 -17.568 16.904 17.705
50 1HG MET 7 1HG MET 7 -19.925 17.562 17.206
51 2HG MET 7 2HG MET 7 -19.328 19.089 16.552
52 1HE MET 7 1HE MET 7 -19.030 15.489 16.742
53 2HE MET 7 2HE MET 7 -20.085 15.249 15.351
54 3HE MET 7 3HE MET 7 -18.367 14.881 15.218
55 H CYS 8 H CYS 8 -15.987 19.847 19.295
56 HA CYS 8 HA CYS 8 -14.818 17.869 21.209
57 1HB CYS 8 1HB CYS 8 -13.705 20.004 19.374
58 2HB CYS 8 2HB CYS 8 -12.706 19.171 20.566
59 H HIS 9 H HIS 9 -15.169 18.468 23.317
60 HA HIS 9 HA HIS 9 -15.486 21.317 24.043
61 1HB HIS 9 1HB HIS 9 -15.597 18.718 25.609
62 2HB HIS 9 2HB HIS 9 -16.034 20.299 26.255
63 HD1 HIS 9 HD1 HIS 9 -17.157 17.709 23.753
64 HD2 HIS 9 HD2 HIS 9 -18.548 21.274 25.407
65 HE1 HIS 9 HE1 HIS 9 -19.575 17.936 23.035
66 H GLU 10 H GLU 10 -12.988 18.959 23.914
67 HA GLU 10 HA GLU 10 -11.371 20.132 26.080
68 1HB GLU 10 1HB GLU 10 -10.894 18.012 23.963
69 2HB GLU 10 2HB GLU 10 -9.744 18.403 25.240
70 1HG GLU 10 1HG GLU 10 -11.405 17.815 26.947
71 2HG GLU 10 2HG GLU 10 -12.600 17.483 25.693
72 H PHE 11 H PHE 11 -11.394 20.082 22.517
73 HA PHE 11 HA PHE 11 -8.971 21.730 22.327
74 1HB PHE 11 1HB PHE 11 -11.028 20.620 20.424
75 2HB PHE 11 2HB PHE 11 -9.747 21.688 19.867
76 HD1 PHE 11 HD1 PHE 11 -7.333 21.037 20.259
77 HD2 PHE 11 HD2 PHE 11 -10.592 18.313 20.897
78 HE1 PHE 11 HE1 PHE 11 -5.755 19.130 20.174
79 HE2 PHE 11 HE2 PHE 11 -9.013 16.406 20.811
80 HZ PHE 11 HZ PHE 11 -6.594 16.815 20.452
81 H GLN 12 H GLN 12 -12.457 22.213 22.341
82 HA GLN 12 HA GLN 12 -12.809 24.669 21.085
83 1HB GLN 12 1HB GLN 12 -14.575 23.353 22.187
84 2HB GLN 12 2HB GLN 12 -13.883 23.724 23.765
85 1HG GLN 12 1HG GLN 12 -14.149 26.228 22.897
86 2HG GLN 12 2HG GLN 12 -15.400 25.497 21.892
87 2HE2 GLN 12 2HE2 GLN 12 -16.579 27.140 23.580
88 1HE2 GLN 12 1HE2 GLN 12 -17.198 26.375 24.962
89 H ALA 13 H ALA 13 -11.552 24.105 24.380
90 HA ALA 13 HA ALA 13 -11.211 26.847 25.110
91 1HB ALA 13 1HB ALA 13 -9.399 25.693 26.613
92 2HB ALA 13 2HB ALA 13 -11.090 25.237 26.823
93 3HB ALA 13 3HB ALA 13 -10.006 24.199 25.897
94 H PHE 14 H PHE 14 -9.470 24.819 22.891
95 HA PHE 14 HA PHE 14 -7.018 26.463 22.982
96 1HB PHE 14 1HB PHE 14 -7.916 24.190 21.184
97 2HB PHE 14 2HB PHE 14 -6.278 24.821 21.305
98 HD1 PHE 14 HD1 PHE 14 -6.951 25.295 24.488
99 HD2 PHE 14 HD2 PHE 14 -6.841 21.961 21.786
100 HE1 PHE 14 HE1 PHE 14 -6.510 23.767 26.391
101 HE2 PHE 14 HE2 PHE 14 -6.402 20.433 23.682
102 HZ PHE 14 HZ PHE 14 -6.236 21.334 25.989
103 H MET 15 H MET 15 -9.885 27.326 21.938
104 HA MET 15 HA MET 15 -9.089 28.155 19.192
105 1HB MET 15 1HB MET 15 -11.440 28.379 18.846
106 2HB MET 15 2HB MET 15 -11.249 26.916 19.802
107 1HG MET 15 1HG MET 15 -11.551 28.492 21.851
108 2HG MET 15 2HG MET 15 -12.215 29.630 20.681
109 1HE MET 15 1HE MET 15 -13.781 29.257 19.110
110 2HE MET 15 2HE MET 15 -14.045 27.592 18.574
111 3HE MET 15 3HE MET 15 -15.322 28.461 19.422
112 H LYS 16 H LYS 16 -8.158 30.167 19.101
113 HA LYS 16 HA LYS 16 -8.740 32.168 21.213
114 1HB LYS 16 1HB LYS 16 -6.423 31.672 20.508
115 2HB LYS 16 2HB LYS 16 -6.826 32.131 18.855
116 1HG LYS 16 1HG LYS 16 -7.689 34.300 20.373
117 2HG LYS 16 2HG LYS 16 -6.174 33.827 21.142
118 1HD LYS 16 1HD LYS 16 -5.209 33.735 18.745
119 2HD LYS 16 2HD LYS 16 -6.646 34.641 18.273
120 1HE LYS 16 1HE LYS 16 -6.058 36.490 19.683
121 2HE LYS 16 2HE LYS 16 -4.813 35.543 20.518
122 1HZ LYS 16 1HZ LYS 16 -4.774 35.947 17.582
123 2HZ LYS 16 2HZ LYS 16 -4.039 37.058 18.638
124 3HZ LYS 16 3HZ LYS 16 -3.505 35.446 18.591
125 H ASN 17 H ASN 17 -10.943 32.689 20.541
126 HA ASN 17 HA ASN 17 -12.526 33.990 19.372
127 1HB ASN 17 1HB ASN 17 -9.963 35.213 18.300
128 2HB ASN 17 2HB ASN 17 -11.553 35.972 18.273
129 2HD2 ASN 17 2HD2 ASN 17 -8.811 36.391 19.857
130 1HD2 ASN 17 1HD2 ASN 17 -9.361 36.688 21.435
131 H GLY 18 H GLY 18 -12.213 31.541 18.214
132 1HA GLY 18 1HA GLY 18 -12.579 32.175 15.351
133 2HA GLY 18 2HA GLY 18 -13.007 30.656 16.134
134 H LYS 19 H LYS 19 -9.883 31.806 16.950
135 HA LYS 19 HA LYS 19 -8.552 30.351 14.731
136 1HB LYS 19 1HB LYS 19 -7.924 32.654 15.719
137 2HB LYS 19 2HB LYS 19 -7.281 31.748 17.089
138 1HG LYS 19 1HG LYS 19 -6.487 31.215 14.213
139 2HG LYS 19 2HG LYS 19 -5.579 32.274 15.292
140 1HD LYS 19 1HD LYS 19 -5.448 30.317 16.914
141 2HD LYS 19 2HD LYS 19 -6.089 29.306 15.617
142 1HE LYS 19 1HE LYS 19 -3.702 31.056 15.068
143 2HE LYS 19 2HE LYS 19 -3.483 29.500 15.892
144 1HZ LYS 19 1HZ LYS 19 -5.008 28.590 14.083
145 2HZ LYS 19 2HZ LYS 19 -4.694 30.031 13.239
146 3HZ LYS 19 3HZ LYS 19 -3.421 28.973 13.622
147 H LEU 20 H LEU 20 -8.631 28.136 15.113
148 HA LEU 20 HA LEU 20 -8.290 27.057 17.836
149 1HB LEU 20 1HB LEU 20 -9.870 25.954 16.439
150 2HB LEU 20 2HB LEU 20 -8.766 25.951 15.063
151 HG LEU 20 HG LEU 20 -7.252 24.425 16.356
152 1HD1 LEU 20 1HD1 LEU 20 -9.580 24.516 18.293
153 2HD1 LEU 20 2HD1 LEU 20 -8.342 23.259 18.326
154 3HD1 LEU 20 3HD1 LEU 20 -7.900 24.941 18.618
155 1HD2 LEU 20 1HD2 LEU 20 -9.169 23.704 14.754
156 2HD2 LEU 20 2HD2 LEU 20 -8.462 22.478 15.807
157 3HD2 LEU 20 3HD2 LEU 20 -10.010 23.213 16.225
158 H PHE 21 H PHE 21 -6.188 27.050 18.602
159 HA PHE 21 HA PHE 21 -3.970 26.529 16.678
160 1HB PHE 21 1HB PHE 21 -2.627 27.169 18.818
161 2HB PHE 21 2HB PHE 21 -3.527 28.435 17.988
162 HD1 PHE 21 HD1 PHE 21 -3.495 26.178 20.925
163 HD2 PHE 21 HD2 PHE 21 -5.464 29.465 18.984
164 HE1 PHE 21 HE1 PHE 21 -4.773 26.636 22.999
165 HE2 PHE 21 HE2 PHE 21 -6.744 29.921 21.059
166 HZ PHE 21 HZ PHE 21 -6.398 28.508 23.066
167 H CYS 22 H CYS 22 -4.936 24.220 16.674
168 HA CYS 22 HA CYS 22 -4.894 22.413 18.800
169 1HB CYS 22 1HB CYS 22 -5.182 22.364 16.062
170 2HB CYS 22 2HB CYS 22 -3.715 21.414 16.296
171 HA PRO 23 HA PRO 23 -0.186 21.600 17.900
172 1HB PRO 23 1HB PRO 23 0.892 24.068 16.883
173 2HB PRO 23 2HB PRO 23 0.856 22.487 16.098
174 1HG PRO 23 1HG PRO 23 -0.682 24.806 15.432
175 2HG PRO 23 2HG PRO 23 -0.762 23.208 14.685
176 1HD PRO 23 1HD PRO 23 -2.687 24.468 16.439
177 2HD PRO 23 2HD PRO 23 -2.816 22.892 15.626
178 H GLN 24 H GLN 24 -0.942 22.057 20.238
179 HA GLN 24 HA GLN 24 0.335 24.531 21.341
180 1HB GLN 24 1HB GLN 24 -1.904 24.526 22.006
181 2HB GLN 24 2HB GLN 24 -1.983 22.767 22.065
182 1HG GLN 24 1HG GLN 24 -0.615 22.751 24.104
183 2HG GLN 24 2HG GLN 24 -0.464 24.506 24.034
184 2HE2 GLN 24 2HE2 GLN 24 -3.080 22.014 24.022
185 1HE2 GLN 24 1HE2 GLN 24 -4.137 22.908 25.003
186 H ASP 25 H ASP 25 -0.022 21.034 21.826
187 HA ASP 25 HA ASP 25 2.728 20.698 22.677
188 1HB ASP 25 1HB ASP 25 1.724 21.838 24.645
189 2HB ASP 25 2HB ASP 25 0.516 20.558 24.755
190 H LYS 26 H LYS 26 1.645 19.308 20.723
191 HA LYS 26 HA LYS 26 -0.020 17.089 21.207
192 1HB LYS 26 1HB LYS 26 2.241 17.709 19.319
193 2HB LYS 26 2HB LYS 26 1.436 16.142 19.251
194 1HG LYS 26 1HG LYS 26 -0.720 17.214 18.888
195 2HG LYS 26 2HG LYS 26 0.000 18.810 19.105
196 1HD LYS 26 1HD LYS 26 1.530 18.244 17.143
197 2HD LYS 26 2HD LYS 26 0.494 16.846 16.855
198 1HE LYS 26 1HE LYS 26 -1.457 18.312 16.568
199 2HE LYS 26 2HE LYS 26 -0.462 19.733 16.939
200 1HZ LYS 26 1HZ LYS 26 1.060 18.773 15.104
201 2HZ LYS 26 2HZ LYS 26 -0.321 17.920 14.611
202 3HZ LYS 26 3HZ LYS 26 -0.338 19.619 14.639
203 H LYS 27 H LYS 27 3.182 17.641 22.375
204 HA LYS 27 HA LYS 27 4.469 15.220 22.537
205 1HB LYS 27 1HB LYS 27 3.937 17.334 24.636
206 2HB LYS 27 2HB LYS 27 5.094 16.029 24.882
207 1HG LYS 27 1HG LYS 27 6.236 16.731 22.754
208 2HG LYS 27 2HG LYS 27 5.157 18.124 22.694
209 1HD LYS 27 1HD LYS 27 5.989 18.890 24.872
210 2HD LYS 27 2HD LYS 27 7.029 17.470 24.990
211 1HE LYS 27 1HE LYS 27 8.329 18.192 23.063
212 2HE LYS 27 2HE LYS 27 7.209 19.535 22.765
213 1HZ LYS 27 1HZ LYS 27 8.660 19.124 25.327
214 2HZ LYS 27 2HZ LYS 27 9.217 20.150 24.093
215 3HZ LYS 27 3HZ LYS 27 7.744 20.478 24.875
216 H PHE 28 H PHE 28 1.433 16.067 24.100
217 HA PHE 28 HA PHE 28 1.197 14.140 26.118
218 1HB PHE 28 1HB PHE 28 -0.925 14.929 24.095
219 2HB PHE 28 2HB PHE 28 -1.191 14.420 25.761
220 HD1 PHE 28 HD1 PHE 28 0.910 15.876 27.216
221 HD2 PHE 28 HD2 PHE 28 -1.620 17.177 23.997
222 HE1 PHE 28 HE1 PHE 28 1.156 18.226 27.970
223 HE2 PHE 28 HE2 PHE 28 -1.372 19.529 24.752
224 HZ PHE 28 HZ PHE 28 0.016 20.051 26.738
225 H PHE 29 H PHE 29 1.162 13.709 22.638
226 HA PHE 29 HA PHE 29 -0.117 11.311 22.167
227 1HB PHE 29 1HB PHE 29 1.245 12.789 20.615
228 2HB PHE 29 2HB PHE 29 2.686 11.977 21.225
229 HD1 PHE 29 HD1 PHE 29 -0.567 11.411 19.502
230 HD2 PHE 29 HD2 PHE 29 3.308 9.816 20.446
231 HE1 PHE 29 HE1 PHE 29 -0.949 9.546 17.913
232 HE2 PHE 29 HE2 PHE 29 2.926 7.951 18.857
233 HZ PHE 29 HZ PHE 29 0.798 7.815 17.590
234 H GLN 30 H GLN 30 2.789 11.776 24.074
235 HA GLN 30 HA GLN 30 3.767 9.082 24.067
236 1HB GLN 30 1HB GLN 30 3.936 11.386 26.029
237 2HB GLN 30 2HB GLN 30 4.880 9.905 26.192
238 1HG GLN 30 1HG GLN 30 5.602 10.376 23.730
239 2HG GLN 30 2HG GLN 30 5.040 12.017 24.050
240 2HE2 GLN 30 2HE2 GLN 30 6.806 13.297 24.603
241 1HE2 GLN 30 1HE2 GLN 30 8.084 12.813 25.607
242 H SER 31 H SER 31 0.872 10.324 25.332
243 HA SER 31 HA SER 31 0.647 7.979 27.193
244 1HB SER 31 1HB SER 31 -0.396 10.815 27.495
245 2HB SER 31 2HB SER 31 -0.718 9.499 28.625
246 HG SER 31 HG SER 31 1.133 9.894 29.485
247 H LEU 32 H LEU 32 -1.703 7.367 27.550
248 HA LEU 32 HA LEU 32 -3.075 6.922 25.095
249 1HB LEU 32 1HB LEU 32 -3.187 5.939 27.594
250 2HB LEU 32 2HB LEU 32 -4.574 7.027 27.668
251 HG LEU 32 HG LEU 32 -4.201 5.108 25.367
252 1HD1 LEU 32 1HD1 LEU 32 -4.194 3.826 27.502
253 2HD1 LEU 32 2HD1 LEU 32 -5.720 4.594 27.944
254 3HD1 LEU 32 3HD1 LEU 32 -5.645 3.520 26.546
255 1HD2 LEU 32 1HD2 LEU 32 -6.558 6.575 26.586
256 2HD2 LEU 32 2HD2 LEU 32 -5.819 6.882 25.014
257 3HD2 LEU 32 3HD2 LEU 32 -6.702 5.380 25.297
258 H ASP 33 H ASP 33 -3.939 9.150 27.760
259 HA ASP 33 HA ASP 33 -6.132 10.427 26.537
260 1HB ASP 33 1HB ASP 33 -3.950 11.464 28.379
261 2HB ASP 33 2HB ASP 33 -5.445 12.339 28.049
262 H GLY 34 H GLY 34 -2.661 10.975 26.164
263 1HA GLY 34 1HA GLY 34 -1.487 12.368 24.667
264 2HA GLY 34 2HA GLY 34 -2.968 13.296 24.446
265 H ILE 35 H ILE 35 -2.326 9.840 23.925
266 HA ILE 35 HA ILE 35 -2.137 9.854 21.103
267 HB ILE 35 HB ILE 35 -2.986 7.931 23.245
268 1HG1 ILE 35 1HG1 ILE 35 -0.606 8.308 22.766
269 2HG1 ILE 35 2HG1 ILE 35 -1.066 6.667 22.308
270 1HG2 ILE 35 1HG2 ILE 35 -3.243 7.416 20.264
271 2HG2 ILE 35 2HG2 ILE 35 -3.303 6.163 21.505
272 3HG2 ILE 35 3HG2 ILE 35 -4.555 7.405 21.444
273 1HD1 ILE 35 1HD1 ILE 35 -1.565 8.406 20.082
274 2HD1 ILE 35 2HD1 ILE 35 0.079 8.690 20.656
275 3HD1 ILE 35 3HD1 ILE 35 -0.423 7.065 20.188
276 H MET 36 H MET 36 -4.955 9.959 23.243
277 HA MET 36 HA MET 36 -6.907 9.636 21.100
278 1HB MET 36 1HB MET 36 -6.804 10.148 24.009
279 2HB MET 36 2HB MET 36 -8.202 10.838 23.181
280 1HG MET 36 1HG MET 36 -8.773 8.662 22.241
281 2HG MET 36 2HG MET 36 -7.311 7.950 22.925
282 1HE MET 36 1HE MET 36 -10.649 8.498 22.916
283 2HE MET 36 2HE MET 36 -11.326 8.006 24.474
284 3HE MET 36 3HE MET 36 -10.912 9.694 24.183
285 H PHE 37 H PHE 37 -6.288 12.463 23.235
286 HA PHE 37 HA PHE 37 -7.672 14.383 21.773
287 1HB PHE 37 1HB PHE 37 -6.813 15.589 23.478
288 2HB PHE 37 2HB PHE 37 -5.744 14.245 23.870
289 HD1 PHE 37 HD1 PHE 37 -3.458 14.136 22.859
290 HD2 PHE 37 HD2 PHE 37 -5.999 17.558 22.391
291 HE1 PHE 37 HE1 PHE 37 -1.509 15.482 22.143
292 HE2 PHE 37 HE2 PHE 37 -4.048 18.908 21.668
293 HZ PHE 37 HZ PHE 37 -1.806 17.859 21.541
294 H ILE 38 H ILE 38 -4.240 13.407 21.256
295 HA ILE 38 HA ILE 38 -3.598 15.065 19.090
296 HB ILE 38 HB ILE 38 -2.977 12.149 19.654
297 1HG1 ILE 38 1HG1 ILE 38 -2.175 13.831 21.302
298 2HG1 ILE 38 2HG1 ILE 38 -0.845 13.046 20.457
299 1HG2 ILE 38 1HG2 ILE 38 -2.727 12.815 17.215
300 2HG2 ILE 38 2HG2 ILE 38 -1.520 13.989 17.741
301 3HG2 ILE 38 3HG2 ILE 38 -1.242 12.265 17.992
302 1HD1 ILE 38 1HD1 ILE 38 -0.861 14.988 18.831
303 2HD1 ILE 38 2HD1 ILE 38 -1.996 15.794 19.913
304 3HD1 ILE 38 3HD1 ILE 38 -0.369 15.406 20.472
305 H ASN 39 H ASN 39 -5.432 12.019 19.101
306 HA ASN 39 HA ASN 39 -5.812 11.876 16.242
307 1HB ASN 39 1HB ASN 39 -7.273 10.734 18.640
308 2HB ASN 39 2HB ASN 39 -7.628 10.265 16.978
309 2HD2 ASN 39 2HD2 ASN 39 -6.509 8.507 19.084
310 1HD2 ASN 39 1HD2 ASN 39 -4.992 7.991 18.521
311 H LYS 40 H LYS 40 -7.605 13.393 18.881
312 HA LYS 40 HA LYS 40 -9.855 14.153 17.140
313 1HB LYS 40 1HB LYS 40 -9.032 14.552 20.014
314 2HB LYS 40 2HB LYS 40 -10.408 15.431 19.345
315 1HG LYS 40 1HG LYS 40 -11.402 13.257 18.631
316 2HG LYS 40 2HG LYS 40 -10.062 12.418 19.413
317 1HD LYS 40 1HD LYS 40 -10.735 13.761 21.528
318 2HD LYS 40 2HD LYS 40 -12.254 14.056 20.681
319 1HE LYS 40 1HE LYS 40 -12.078 11.393 20.293
320 2HE LYS 40 2HE LYS 40 -11.187 11.515 21.822
321 1HZ LYS 40 1HZ LYS 40 -13.113 13.125 22.436
322 2HZ LYS 40 2HZ LYS 40 -13.962 12.310 21.214
323 3HZ LYS 40 3HZ LYS 40 -13.365 11.449 22.551
324 H CYS 41 H CYS 41 -6.859 15.542 18.306
325 HA CYS 41 HA CYS 41 -7.231 18.293 18.132
326 1HB CYS 41 1HB CYS 41 -5.121 17.360 18.749
327 2HB CYS 41 2HB CYS 41 -5.000 16.452 17.247
328 H ALA 42 H ALA 42 -5.824 16.523 15.390
329 HA ALA 42 HA ALA 42 -6.381 18.463 13.412
330 1HB ALA 42 1HB ALA 42 -6.002 15.465 13.391
331 2HB ALA 42 2HB ALA 42 -6.177 16.383 11.896
332 3HB ALA 42 3HB ALA 42 -4.826 16.714 12.980
333 H THR 43 H THR 43 -8.412 15.841 14.656
334 HA THR 43 HA THR 43 -10.462 15.984 12.640
335 HB THR 43 HB THR 43 -10.650 15.164 15.555
336 HG1 THR 43 HG1 THR 43 -9.813 13.726 13.259
337 1HG2 THR 43 1HG2 THR 43 -12.358 14.855 13.147
338 2HG2 THR 43 2HG2 THR 43 -12.198 13.433 14.178
339 3HG2 THR 43 3HG2 THR 43 -12.815 14.944 14.848
340 H CYS 44 H CYS 44 -10.485 17.216 16.014
341 HA CYS 44 HA CYS 44 -12.865 18.671 15.961
342 1HB CYS 44 1HB CYS 44 -10.206 19.440 17.212
343 2HB CYS 44 2HB CYS 44 -11.790 20.009 17.737
344 H LYS 45 H LYS 45 -9.723 19.541 14.588
345 HA LYS 45 HA LYS 45 -10.210 22.290 14.027
346 1HB LYS 45 1HB LYS 45 -8.020 21.247 13.882
347 2HB LYS 45 2HB LYS 45 -8.584 20.146 12.626
348 1HG LYS 45 1HG LYS 45 -9.222 22.464 11.439
349 2HG LYS 45 2HG LYS 45 -7.892 23.041 12.442
350 1HD LYS 45 1HD LYS 45 -6.486 21.162 11.538
351 2HD LYS 45 2HD LYS 45 -7.802 20.777 10.429
352 1HE LYS 45 1HE LYS 45 -6.072 22.253 9.373
353 2HE LYS 45 2HE LYS 45 -7.656 23.048 9.457
354 1HZ LYS 45 1HZ LYS 45 -5.750 23.256 11.702
355 2HZ LYS 45 2HZ LYS 45 -5.593 24.290 10.363
356 3HZ LYS 45 3HZ LYS 45 -7.019 24.304 11.281
357 H MET 46 H MET 46 -10.772 19.390 11.989
358 HA MET 46 HA MET 46 -11.866 20.800 9.748
359 1HB MET 46 1HB MET 46 -12.535 18.593 9.040
360 2HB MET 46 2HB MET 46 -11.004 18.421 9.894
361 1HG MET 46 1HG MET 46 -11.952 17.034 11.384
362 2HG MET 46 2HG MET 46 -13.169 18.242 11.782
363 1HE MET 46 1HE MET 46 -12.008 15.405 9.645
364 2HE MET 46 2HE MET 46 -13.355 14.959 8.601
365 3HE MET 46 3HE MET 46 -12.435 16.435 8.281
366 H ILE 47 H ILE 47 -13.212 19.893 12.830
367 HA ILE 47 HA ILE 47 -16.001 19.909 12.179
368 HB ILE 47 HB ILE 47 -14.569 20.755 14.721
369 1HG1 ILE 47 1HG1 ILE 47 -13.753 18.586 14.091
370 2HG1 ILE 47 2HG1 ILE 47 -14.973 18.323 15.337
371 1HG2 ILE 47 1HG2 ILE 47 -17.393 19.975 14.042
372 2HG2 ILE 47 2HG2 ILE 47 -16.754 19.642 15.652
373 3HG2 ILE 47 3HG2 ILE 47 -16.821 21.301 15.056
374 1HD1 ILE 47 1HD1 ILE 47 -16.659 17.880 13.575
375 2HD1 ILE 47 2HD1 ILE 47 -15.417 18.106 12.343
376 3HD1 ILE 47 3HD1 ILE 47 -15.306 16.754 13.472
377 H LEU 48 H LEU 48 -13.767 22.504 13.177
378 HA LEU 48 HA LEU 48 -15.733 24.608 13.268
379 1HB LEU 48 1HB LEU 48 -12.731 24.433 12.943
380 2HB LEU 48 2HB LEU 48 -13.561 25.989 12.964
381 HG LEU 48 HG LEU 48 -12.845 25.501 15.220
382 1HD1 LEU 48 1HD1 LEU 48 -15.417 26.109 14.536
383 2HD1 LEU 48 2HD1 LEU 48 -15.666 24.674 15.533
384 3HD1 LEU 48 3HD1 LEU 48 -14.823 26.073 16.197
385 1HD2 LEU 48 1HD2 LEU 48 -12.673 23.006 14.800
386 2HD2 LEU 48 2HD2 LEU 48 -13.363 23.449 16.361
387 3HD2 LEU 48 3HD2 LEU 48 -14.417 22.920 15.050
388 H GLU 49 H GLU 49 -13.564 23.387 10.724
389 HA GLU 49 HA GLU 49 -14.021 25.344 8.730
390 1HB GLU 49 1HB GLU 49 -13.593 22.344 8.537
391 2HB GLU 49 2HB GLU 49 -13.370 23.476 7.203
392 1HG GLU 49 1HG GLU 49 -11.926 23.807 9.838
393 2HG GLU 49 2HG GLU 49 -11.263 22.830 8.529
394 H LYS 50 H LYS 50 -16.075 22.739 9.871
395 HA LYS 50 HA LYS 50 -17.860 22.554 7.635
396 1HB LYS 50 1HB LYS 50 -18.222 22.109 10.616
397 2HB LYS 50 2HB LYS 50 -19.365 21.568 9.386
398 1HG LYS 50 1HG LYS 50 -17.437 20.319 8.304
399 2HG LYS 50 2HG LYS 50 -16.487 20.694 9.741
400 1HD LYS 50 1HD LYS 50 -17.970 19.458 11.155
401 2HD LYS 50 2HD LYS 50 -19.182 19.325 9.881
402 1HE LYS 50 1HE LYS 50 -17.785 17.824 8.602
403 2HE LYS 50 2HE LYS 50 -16.402 18.115 9.674
404 1HZ LYS 50 1HZ LYS 50 -17.912 17.354 11.528
405 2HZ LYS 50 2HZ LYS 50 -18.979 16.793 10.330
406 3HZ LYS 50 3HZ LYS 50 -17.418 16.140 10.447
407 H GLU 51 H GLU 51 -17.847 24.642 10.522
408 HA GLU 51 HA GLU 51 -20.390 25.855 10.224
409 1HB GLU 51 1HB GLU 51 -17.718 26.864 11.244
410 2HB GLU 51 2HB GLU 51 -19.233 27.736 11.475
411 1HG GLU 51 1HG GLU 51 -20.182 25.841 12.690
412 2HG GLU 51 2HG GLU 51 -18.732 24.885 12.381
413 H ALA 52 H ALA 52 -17.407 26.346 8.441
414 HA ALA 52 HA ALA 52 -18.210 28.887 7.245
415 1HB ALA 52 1HB ALA 52 -15.865 28.164 7.627
416 2HB ALA 52 2HB ALA 52 -16.161 28.512 5.924
417 3HB ALA 52 3HB ALA 52 -16.099 26.841 6.484
418 H LYS 53 H LYS 53 -18.792 25.526 6.580
419 HA LYS 53 HA LYS 53 -19.444 25.950 3.738
420 1HB LYS 53 1HB LYS 53 -18.401 23.878 4.574
421 2HB LYS 53 2HB LYS 53 -19.784 23.603 5.635
422 1HG LYS 53 1HG LYS 53 -21.263 23.517 3.634
423 2HG LYS 53 2HG LYS 53 -19.844 23.705 2.603
424 1HD LYS 53 1HD LYS 53 -18.895 21.624 3.503
425 2HD LYS 53 2HD LYS 53 -20.281 21.443 4.579
426 1HE LYS 53 1HE LYS 53 -21.790 21.247 2.645
427 2HE LYS 53 2HE LYS 53 -20.425 21.498 1.539
428 1HZ LYS 53 1HZ LYS 53 -19.345 19.595 2.842
429 2HZ LYS 53 2HZ LYS 53 -20.912 19.246 3.400
430 3HZ LYS 53 3HZ LYS 53 -20.567 19.186 1.738
431 H SER 54 H SER 54 -21.098 25.880 6.824
432 HA SER 54 HA SER 54 -23.771 25.481 5.704
433 1HB SER 54 1HB SER 54 -22.763 26.466 8.394
434 2HB SER 54 2HB SER 54 -24.423 25.974 8.052
435 HG SER 54 HG SER 54 -22.901 24.357 8.980
436 H GLN 55 H GLN 55 -21.631 28.163 6.093
437 HA GLN 55 HA GLN 55 -23.438 30.001 4.792
438 1HB GLN 55 1HB GLN 55 -23.949 31.407 6.733
439 2HB GLN 55 2HB GLN 55 -24.492 29.758 7.046
440 1HG GLN 55 1HG GLN 55 -22.534 29.303 8.393
441 2HG GLN 55 2HG GLN 55 -21.807 30.845 7.942
442 2HE2 GLN 55 2HE2 GLN 55 -22.642 29.824 10.681
443 1HE2 GLN 55 1HE2 GLN 55 -23.701 31.007 11.281
No H/Q in entry = 443
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -27.442 24.640 11.637
2 H2 LYS 1 H2 LYS 1 -26.461 25.692 10.739
3 H3 LYS 1 H3 LYS 1 -26.199 24.016 10.663
4 HA LYS 1 HA LYS 1 -24.537 24.623 12.119
5 1HB LYS 1 1HB LYS 1 -25.351 26.991 11.982
6 2HB LYS 1 2HB LYS 1 -26.534 26.617 13.235
7 1HG LYS 1 1HG LYS 1 -24.696 27.559 14.408
8 2HG LYS 1 2HG LYS 1 -24.529 25.818 14.643
9 1HD LYS 1 1HD LYS 1 -22.922 25.726 12.764
10 2HD LYS 1 2HD LYS 1 -23.078 27.469 12.550
11 1HE LYS 1 1HE LYS 1 -21.970 26.021 14.981
12 2HE LYS 1 2HE LYS 1 -21.099 27.116 13.891
13 1HZ LYS 1 1HZ LYS 1 -23.112 28.675 14.507
14 2HZ LYS 1 2HZ LYS 1 -23.132 27.726 15.916
15 3HZ LYS 1 3HZ LYS 1 -21.735 28.593 15.499
16 H ASN 2 H ASN 2 -25.027 22.435 12.865
17 HA ASN 2 HA ASN 2 -26.912 22.233 15.170
18 1HB ASN 2 1HB ASN 2 -27.062 20.704 13.182
19 2HB ASN 2 2HB ASN 2 -25.454 20.100 13.579
20 2HD2 ASN 2 2HD2 ASN 2 -27.619 18.294 13.605
21 1HD2 ASN 2 1HD2 ASN 2 -27.965 17.849 15.206
22 H GLU 3 H GLU 3 -25.915 22.566 17.125
23 HA GLU 3 HA GLU 3 -23.081 22.410 17.565
24 1HB GLU 3 1HB GLU 3 -23.739 22.754 19.894
25 2HB GLU 3 2HB GLU 3 -24.775 23.733 18.856
26 1HG GLU 3 1HG GLU 3 -26.428 21.789 18.894
27 2HG GLU 3 2HG GLU 3 -25.443 21.096 20.184
28 H ASP 4 H ASP 4 -25.387 19.947 17.197
29 HA ASP 4 HA ASP 4 -23.776 18.022 18.832
30 1HB ASP 4 1HB ASP 4 -26.273 18.425 19.218
31 2HB ASP 4 2HB ASP 4 -26.540 17.664 17.649
32 H GLN 5 H GLN 5 -22.479 18.584 16.528
33 HA GLN 5 HA GLN 5 -23.264 16.418 14.607
34 1HB GLN 5 1HB GLN 5 -21.967 17.826 12.982
35 2HB GLN 5 2HB GLN 5 -23.341 18.679 13.686
36 1HG GLN 5 1HG GLN 5 -21.900 19.832 15.254
37 2HG GLN 5 2HG GLN 5 -20.512 18.862 14.762
38 2HE2 GLN 5 2HE2 GLN 5 -19.277 20.685 13.955
39 1HE2 GLN 5 1HE2 GLN 5 -19.744 21.543 12.566
40 H GLU 6 H GLU 6 -21.987 15.199 16.510
41 HA GLU 6 HA GLU 6 -20.055 13.936 17.023
42 1HB GLU 6 1HB GLU 6 -19.041 15.034 14.388
43 2HB GLU 6 2HB GLU 6 -18.630 13.493 15.142
44 1HG GLU 6 1HG GLU 6 -20.982 12.755 14.881
45 2HG GLU 6 2HG GLU 6 -21.363 14.283 14.088
46 H MET 7 H MET 7 -20.279 16.913 17.643
47 HA MET 7 HA MET 7 -17.596 18.021 17.427
48 1HB MET 7 1HB MET 7 -20.119 18.687 18.958
49 2HB MET 7 2HB MET 7 -18.659 19.667 19.088
50 1HG MET 7 1HG MET 7 -18.699 19.800 16.531
51 2HG MET 7 2HG MET 7 -20.331 19.138 16.622
52 1HE MET 7 1HE MET 7 -17.976 21.991 16.997
53 2HE MET 7 2HE MET 7 -18.789 23.220 17.977
54 3HE MET 7 3HE MET 7 -18.191 21.744 18.729
55 H CYS 8 H CYS 8 -15.956 17.952 18.973
56 HA CYS 8 HA CYS 8 -16.279 15.996 21.175
57 1HB CYS 8 1HB CYS 8 -13.814 16.249 21.283
58 2HB CYS 8 2HB CYS 8 -14.349 15.921 19.635
59 H HIS 9 H HIS 9 -15.891 19.459 20.670
60 HA HIS 9 HA HIS 9 -15.916 21.257 22.206
61 1HB HIS 9 1HB HIS 9 -17.320 19.093 23.809
62 2HB HIS 9 2HB HIS 9 -17.408 20.824 24.140
63 HD1 HIS 9 HD1 HIS 9 -17.951 22.109 21.541
64 HD2 HIS 9 HD2 HIS 9 -19.643 18.419 22.492
65 HE1 HIS 9 HE1 HIS 9 -19.981 21.847 20.050
66 H GLU 10 H GLU 10 -13.671 19.188 22.294
67 HA GLU 10 HA GLU 10 -12.856 19.458 25.160
68 1HB GLU 10 1HB GLU 10 -12.081 17.656 22.857
69 2HB GLU 10 2HB GLU 10 -11.146 17.710 24.352
70 1HG GLU 10 1HG GLU 10 -13.102 17.064 25.651
71 2HG GLU 10 2HG GLU 10 -14.122 17.142 24.215
72 H PHE 11 H PHE 11 -12.065 20.441 21.895
73 HA PHE 11 HA PHE 11 -9.452 21.571 22.777
74 1HB PHE 11 1HB PHE 11 -10.823 20.978 20.161
75 2HB PHE 11 2HB PHE 11 -9.411 22.028 20.212
76 HD1 PHE 11 HD1 PHE 11 -10.635 18.620 21.122
77 HD2 PHE 11 HD2 PHE 11 -7.225 21.141 20.441
78 HE1 PHE 11 HE1 PHE 11 -9.151 16.639 21.213
79 HE2 PHE 11 HE2 PHE 11 -5.742 19.159 20.540
80 HZ PHE 11 HZ PHE 11 -6.705 16.912 20.925
81 H GLN 12 H GLN 12 -12.669 22.523 22.572
82 HA GLN 12 HA GLN 12 -12.774 25.021 21.355
83 1HB GLN 12 1HB GLN 12 -14.566 23.748 22.616
84 2HB GLN 12 2HB GLN 12 -13.859 24.365 24.110
85 1HG GLN 12 1HG GLN 12 -14.303 26.643 23.470
86 2HG GLN 12 2HG GLN 12 -14.758 26.154 21.838
87 2HE2 GLN 12 2HE2 GLN 12 -16.736 27.556 22.950
88 1HE2 GLN 12 1HE2 GLN 12 -17.973 26.576 23.575
89 H ALA 13 H ALA 13 -11.446 24.268 24.583
90 HA ALA 13 HA ALA 13 -10.837 26.921 25.405
91 1HB ALA 13 1HB ALA 13 -8.848 25.025 26.261
92 2HB ALA 13 2HB ALA 13 -10.193 25.692 27.186
93 3HB ALA 13 3HB ALA 13 -10.421 24.230 26.224
94 H PHE 14 H PHE 14 -9.472 25.013 22.889
95 HA PHE 14 HA PHE 14 -6.903 26.496 22.910
96 1HB PHE 14 1HB PHE 14 -8.001 24.268 21.168
97 2HB PHE 14 2HB PHE 14 -6.332 24.831 21.191
98 HD1 PHE 14 HD1 PHE 14 -6.049 25.335 24.149
99 HD2 PHE 14 HD2 PHE 14 -7.754 22.041 21.988
100 HE1 PHE 14 HE1 PHE 14 -5.564 23.831 26.061
101 HE2 PHE 14 HE2 PHE 14 -7.272 20.536 23.899
102 HZ PHE 14 HZ PHE 14 -6.177 21.432 25.936
103 H MET 15 H MET 15 -9.729 27.575 22.091
104 HA MET 15 HA MET 15 -9.236 28.263 19.252
105 1HB MET 15 1HB MET 15 -11.492 28.826 21.202
106 2HB MET 15 2HB MET 15 -11.528 29.205 19.482
107 1HG MET 15 1HG MET 15 -11.196 26.820 18.952
108 2HG MET 15 2HG MET 15 -11.165 26.446 20.671
109 1HE MET 15 1HE MET 15 -12.988 27.514 17.620
110 2HE MET 15 2HE MET 15 -14.684 27.744 18.062
111 3HE MET 15 3HE MET 15 -13.480 28.945 18.521
112 H LYS 16 H LYS 16 -7.525 29.768 19.368
113 HA LYS 16 HA LYS 16 -7.572 32.018 21.243
114 1HB LYS 16 1HB LYS 16 -5.462 31.094 20.553
115 2HB LYS 16 2HB LYS 16 -5.896 31.220 18.848
116 1HG LYS 16 1HG LYS 16 -5.888 33.660 18.992
117 2HG LYS 16 2HG LYS 16 -5.571 33.582 20.725
118 1HD LYS 16 1HD LYS 16 -3.462 32.252 20.122
119 2HD LYS 16 2HD LYS 16 -3.744 32.765 18.458
120 1HE LYS 16 1HE LYS 16 -3.671 35.133 19.169
121 2HE LYS 16 2HE LYS 16 -3.395 34.619 20.844
122 1HZ LYS 16 1HZ LYS 16 -1.511 33.232 19.844
123 2HZ LYS 16 2HZ LYS 16 -1.654 34.234 18.480
124 3HZ LYS 16 3HZ LYS 16 -1.254 34.905 19.985
125 H ASN 17 H ASN 17 -9.430 33.283 20.800
126 HA ASN 17 HA ASN 17 -10.667 34.953 19.671
127 1HB ASN 17 1HB ASN 17 -8.188 35.654 19.402
128 2HB ASN 17 2HB ASN 17 -8.332 35.036 17.757
129 2HD2 ASN 17 2HD2 ASN 17 -8.493 37.880 19.405
130 1HD2 ASN 17 1HD2 ASN 17 -9.624 38.713 18.451
131 H GLY 18 H GLY 18 -11.641 32.556 19.030
132 1HA GLY 18 1HA GLY 18 -12.648 32.852 16.364
133 2HA GLY 18 2HA GLY 18 -12.850 31.417 17.370
134 H LYS 19 H LYS 19 -9.755 31.431 17.593
135 HA LYS 19 HA LYS 19 -9.269 30.108 14.943
136 1HB LYS 19 1HB LYS 19 -8.210 32.412 15.470
137 2HB LYS 19 2HB LYS 19 -7.198 31.534 16.616
138 1HG LYS 19 1HG LYS 19 -7.465 30.633 13.747
139 2HG LYS 19 2HG LYS 19 -6.283 31.855 14.215
140 1HD LYS 19 1HD LYS 19 -5.379 30.258 15.916
141 2HD LYS 19 2HD LYS 19 -6.494 29.034 15.310
142 1HE LYS 19 1HE LYS 19 -4.428 28.627 14.160
143 2HE LYS 19 2HE LYS 19 -5.438 29.491 12.986
144 1HZ LYS 19 1HZ LYS 19 -4.428 31.559 14.217
145 2HZ LYS 19 2HZ LYS 19 -3.172 30.473 14.579
146 3HZ LYS 19 3HZ LYS 19 -3.570 30.800 12.963
147 H LEU 20 H LEU 20 -9.111 27.937 15.378
148 HA LEU 20 HA LEU 20 -8.273 26.957 18.017
149 1HB LEU 20 1HB LEU 20 -10.074 26.060 16.378
150 2HB LEU 20 2HB LEU 20 -8.720 25.348 15.501
151 HG LEU 20 HG LEU 20 -9.425 24.863 18.412
152 1HD1 LEU 20 1HD1 LEU 20 -10.638 23.759 16.278
153 2HD1 LEU 20 2HD1 LEU 20 -9.235 22.695 16.377
154 3HD1 LEU 20 3HD1 LEU 20 -10.323 22.849 17.756
155 1HD2 LEU 20 1HD2 LEU 20 -7.048 24.149 16.718
156 2HD2 LEU 20 2HD2 LEU 20 -7.097 24.688 18.397
157 3HD2 LEU 20 3HD2 LEU 20 -7.573 23.040 17.984
158 H PHE 21 H PHE 21 -6.108 26.832 18.484
159 HA PHE 21 HA PHE 21 -4.182 26.373 16.247
160 1HB PHE 21 1HB PHE 21 -2.542 27.001 18.158
161 2HB PHE 21 2HB PHE 21 -3.587 28.271 17.528
162 HD1 PHE 21 HD1 PHE 21 -2.978 25.981 20.364
163 HD2 PHE 21 HD2 PHE 21 -5.415 29.177 18.844
164 HE1 PHE 21 HE1 PHE 21 -3.910 26.348 22.630
165 HE2 PHE 21 HE2 PHE 21 -6.346 29.543 21.114
166 HZ PHE 21 HZ PHE 21 -5.593 28.129 23.007
167 H CYS 22 H CYS 22 -5.007 24.058 16.254
168 HA CYS 22 HA CYS 22 -4.710 22.262 18.408
169 1HB CYS 22 1HB CYS 22 -5.894 21.589 16.479
170 2HB CYS 22 2HB CYS 22 -4.569 22.010 15.405
171 HA PRO 23 HA PRO 23 -0.205 21.425 16.802
172 1HB PRO 23 1HB PRO 23 0.779 23.911 15.745
173 2HB PRO 23 2HB PRO 23 0.585 22.372 14.905
174 1HG PRO 23 1HG PRO 23 -0.954 24.751 14.552
175 2HG PRO 23 2HG PRO 23 -1.204 23.185 13.776
176 1HD PRO 23 1HD PRO 23 -2.784 24.441 15.868
177 2HD PRO 23 2HD PRO 23 -3.115 22.936 14.984
178 H GLN 24 H GLN 24 -0.553 21.801 19.272
179 HA GLN 24 HA GLN 24 1.049 24.175 20.156
180 1HB GLN 24 1HB GLN 24 -0.338 23.885 22.281
181 2HB GLN 24 2HB GLN 24 -1.240 24.401 20.857
182 1HG GLN 24 1HG GLN 24 -2.178 22.255 20.532
183 2HG GLN 24 2HG GLN 24 -0.974 21.475 21.556
184 2HE2 GLN 24 2HE2 GLN 24 -1.067 22.186 23.959
185 1HE2 GLN 24 1HE2 GLN 24 -2.601 22.497 24.617
186 H ASP 25 H ASP 25 0.318 22.092 22.697
187 HA ASP 25 HA ASP 25 3.069 20.969 22.643
188 1HB ASP 25 1HB ASP 25 2.420 22.176 24.626
189 2HB ASP 25 2HB ASP 25 0.893 21.298 24.726
190 H LYS 26 H LYS 26 2.052 19.480 20.824
191 HA LYS 26 HA LYS 26 0.153 17.450 21.505
192 1HB LYS 26 1HB LYS 26 2.326 17.807 19.447
193 2HB LYS 26 2HB LYS 26 1.376 16.322 19.501
194 1HG LYS 26 1HG LYS 26 -0.703 17.796 19.460
195 2HG LYS 26 2HG LYS 26 0.368 19.146 19.085
196 1HD LYS 26 1HD LYS 26 1.193 17.933 17.094
197 2HD LYS 26 2HD LYS 26 0.104 16.595 17.465
198 1HE LYS 26 1HE LYS 26 -1.843 18.085 17.208
199 2HE LYS 26 2HE LYS 26 -0.763 19.452 16.875
200 1HZ LYS 26 1HZ LYS 26 0.229 18.017 15.085
201 2HZ LYS 26 2HZ LYS 26 -1.071 16.951 15.303
202 3HZ LYS 26 3HZ LYS 26 -1.358 18.541 14.783
203 H LYS 27 H LYS 27 3.284 17.896 22.711
204 HA LYS 27 HA LYS 27 4.596 15.482 22.826
205 1HB LYS 27 1HB LYS 27 3.973 17.568 24.919
206 2HB LYS 27 2HB LYS 27 5.044 16.215 25.272
207 1HG LYS 27 1HG LYS 27 6.510 16.844 23.420
208 2HG LYS 27 2HG LYS 27 5.409 18.141 22.959
209 1HD LYS 27 1HD LYS 27 5.762 19.182 25.204
210 2HD LYS 27 2HD LYS 27 6.948 17.927 25.564
211 1HE LYS 27 1HE LYS 27 8.247 18.655 23.532
212 2HE LYS 27 2HE LYS 27 7.111 20.005 23.350
213 1HZ LYS 27 1HZ LYS 27 7.612 20.284 25.889
214 2HZ LYS 27 2HZ LYS 27 9.054 19.476 25.495
215 3HZ LYS 27 3HZ LYS 27 8.670 20.943 24.734
216 H PHE 28 H PHE 28 1.477 16.223 24.276
217 HA PHE 28 HA PHE 28 1.122 14.308 26.243
218 1HB PHE 28 1HB PHE 28 -0.755 15.008 23.960
219 2HB PHE 28 2HB PHE 28 -1.240 14.336 25.515
220 HD1 PHE 28 HD1 PHE 28 -0.170 15.695 27.612
221 HD2 PHE 28 HD2 PHE 28 -0.968 17.306 23.712
222 HE1 PHE 28 HE1 PHE 28 -0.258 17.980 28.572
223 HE2 PHE 28 HE2 PHE 28 -1.057 19.591 24.669
224 HZ PHE 28 HZ PHE 28 -0.700 19.929 27.100
225 H PHE 29 H PHE 29 1.559 13.767 22.811
226 HA PHE 29 HA PHE 29 0.468 11.290 22.274
227 1HB PHE 29 1HB PHE 29 1.911 12.761 20.823
228 2HB PHE 29 2HB PHE 29 3.320 12.124 21.669
229 HD1 PHE 29 HD1 PHE 29 3.452 9.485 21.807
230 HD2 PHE 29 HD2 PHE 29 1.167 11.668 18.898
231 HE1 PHE 29 HE1 PHE 29 3.454 7.502 20.317
232 HE2 PHE 29 HE2 PHE 29 1.170 9.687 17.407
233 HZ PHE 29 HZ PHE 29 2.314 7.603 18.117
234 H GLN 30 H GLN 30 3.040 11.963 24.555
235 HA GLN 30 HA GLN 30 4.126 9.303 24.750
236 1HB GLN 30 1HB GLN 30 5.174 10.222 26.753
237 2HB GLN 30 2HB GLN 30 5.175 11.454 25.493
238 1HG GLN 30 1HG GLN 30 3.122 12.439 26.476
239 2HG GLN 30 2HG GLN 30 3.165 11.225 27.754
240 2HE2 GLN 30 2HE2 GLN 30 3.868 14.384 27.329
241 1HE2 GLN 30 1HE2 GLN 30 5.212 14.547 28.353
242 H SER 31 H SER 31 1.044 10.394 25.538
243 HA SER 31 HA SER 31 0.695 8.127 27.463
244 1HB SER 31 1HB SER 31 0.924 10.199 28.733
245 2HB SER 31 2HB SER 31 -0.283 10.988 27.719
246 HG SER 31 HG SER 31 -1.846 9.711 28.561
247 H LEU 32 H LEU 32 -1.449 7.213 27.421
248 HA LEU 32 HA LEU 32 -2.761 7.008 24.953
249 1HB LEU 32 1HB LEU 32 -2.955 5.791 27.311
250 2HB LEU 32 2HB LEU 32 -4.321 6.890 27.504
251 HG LEU 32 HG LEU 32 -4.006 5.247 24.996
252 1HD1 LEU 32 1HD1 LEU 32 -3.946 3.755 27.033
253 2HD1 LEU 32 2HD1 LEU 32 -5.528 4.398 27.475
254 3HD1 LEU 32 3HD1 LEU 32 -5.334 3.484 25.979
255 1HD2 LEU 32 1HD2 LEU 32 -6.317 6.559 26.455
256 2HD2 LEU 32 2HD2 LEU 32 -5.639 7.028 24.895
257 3HD2 LEU 32 3HD2 LEU 32 -6.516 5.507 25.053
258 H ASP 33 H ASP 33 -3.605 9.139 27.690
259 HA ASP 33 HA ASP 33 -5.874 10.402 26.572
260 1HB ASP 33 1HB ASP 33 -3.653 11.366 28.402
261 2HB ASP 33 2HB ASP 33 -5.118 12.301 28.102
262 H GLY 34 H GLY 34 -2.417 11.064 26.151
263 1HA GLY 34 1HA GLY 34 -1.307 12.472 24.627
264 2HA GLY 34 2HA GLY 34 -2.787 13.423 24.526
265 H ILE 35 H ILE 35 -1.965 10.046 23.720
266 HA ILE 35 HA ILE 35 -2.055 10.237 20.912
267 HB ILE 35 HB ILE 35 -2.666 8.117 22.961
268 1HG1 ILE 35 1HG1 ILE 35 -0.332 8.678 22.495
269 2HG1 ILE 35 2HG1 ILE 35 -0.685 7.070 21.860
270 1HG2 ILE 35 1HG2 ILE 35 -2.959 7.824 19.954
271 2HG2 ILE 35 2HG2 ILE 35 -2.887 6.473 21.086
272 3HG2 ILE 35 3HG2 ILE 35 -4.231 7.612 21.157
273 1HD1 ILE 35 1HD1 ILE 35 -1.358 8.899 19.807
274 2HD1 ILE 35 2HD1 ILE 35 0.205 9.417 20.437
275 3HD1 ILE 35 3HD1 ILE 35 0.000 7.773 19.832
276 H MET 36 H MET 36 -4.663 10.141 23.279
277 HA MET 36 HA MET 36 -6.800 9.732 21.336
278 1HB MET 36 1HB MET 36 -6.421 10.169 24.215
279 2HB MET 36 2HB MET 36 -7.879 10.933 23.580
280 1HG MET 36 1HG MET 36 -8.398 8.710 22.445
281 2HG MET 36 2HG MET 36 -7.096 8.012 23.409
282 1HE MET 36 1HE MET 36 -10.291 7.669 23.029
283 2HE MET 36 2HE MET 36 -11.253 7.995 24.477
284 3HE MET 36 3HE MET 36 -10.806 9.313 23.396
285 H PHE 37 H PHE 37 -6.179 12.580 23.436
286 HA PHE 37 HA PHE 37 -7.740 14.411 21.994
287 1HB PHE 37 1HB PHE 37 -6.993 15.694 23.700
288 2HB PHE 37 2HB PHE 37 -5.905 14.384 24.153
289 HD1 PHE 37 HD1 PHE 37 -3.587 14.303 23.087
290 HD2 PHE 37 HD2 PHE 37 -6.160 17.725 22.833
291 HE1 PHE 37 HE1 PHE 37 -1.648 15.712 22.469
292 HE2 PHE 37 HE2 PHE 37 -4.221 19.137 22.207
293 HZ PHE 37 HZ PHE 37 -1.967 18.121 22.021
294 H ILE 38 H ILE 38 -4.272 13.614 21.494
295 HA ILE 38 HA ILE 38 -3.695 15.399 19.395
296 HB ILE 38 HB ILE 38 -2.857 12.548 19.986
297 1HG1 ILE 38 1HG1 ILE 38 -1.670 15.289 20.461
298 2HG1 ILE 38 2HG1 ILE 38 -2.092 14.069 21.660
299 1HG2 ILE 38 1HG2 ILE 38 -2.621 13.155 17.537
300 2HG2 ILE 38 2HG2 ILE 38 -1.537 14.453 18.035
301 3HG2 ILE 38 3HG2 ILE 38 -1.102 12.772 18.347
302 1HD1 ILE 38 1HD1 ILE 38 -0.362 12.595 20.307
303 2HD1 ILE 38 2HD1 ILE 38 0.259 14.167 19.804
304 3HD1 ILE 38 3HD1 ILE 38 0.204 13.747 21.516
305 H ASN 39 H ASN 39 -5.477 12.345 19.370
306 HA ASN 39 HA ASN 39 -5.727 12.236 16.460
307 1HB ASN 39 1HB ASN 39 -6.729 10.772 18.869
308 2HB ASN 39 2HB ASN 39 -7.603 10.551 17.353
309 2HD2 ASN 39 2HD2 ASN 39 -4.101 11.178 17.542
310 1HD2 ASN 39 1HD2 ASN 39 -3.626 9.656 16.957
311 H LYS 40 H LYS 40 -7.681 13.389 19.173
312 HA LYS 40 HA LYS 40 -10.030 13.999 17.552
313 1HB LYS 40 1HB LYS 40 -9.048 14.606 20.345
314 2HB LYS 40 2HB LYS 40 -10.552 15.301 19.740
315 1HG LYS 40 1HG LYS 40 -11.368 13.008 19.218
316 2HG LYS 40 2HG LYS 40 -9.886 12.345 19.907
317 1HD LYS 40 1HD LYS 40 -10.618 13.897 21.967
318 2HD LYS 40 2HD LYS 40 -12.216 13.612 21.275
319 1HE LYS 40 1HE LYS 40 -11.801 11.162 21.353
320 2HE LYS 40 2HE LYS 40 -10.217 11.467 22.090
321 1HZ LYS 40 1HZ LYS 40 -12.471 12.869 23.279
322 2HZ LYS 40 2HZ LYS 40 -12.466 11.185 23.506
323 3HZ LYS 40 3HZ LYS 40 -11.147 12.118 24.029
324 H CYS 41 H CYS 41 -7.021 15.566 18.272
325 HA CYS 41 HA CYS 41 -7.643 18.310 18.083
326 1HB CYS 41 1HB CYS 41 -5.416 16.792 18.335
327 2HB CYS 41 2HB CYS 41 -5.246 17.274 16.647
328 H ALA 42 H ALA 42 -6.380 16.359 15.357
329 HA ALA 42 HA ALA 42 -7.071 18.181 13.298
330 1HB ALA 42 1HB ALA 42 -6.166 15.443 13.645
331 2HB ALA 42 2HB ALA 42 -5.822 16.563 12.326
332 3HB ALA 42 3HB ALA 42 -7.274 15.564 12.280
333 H THR 43 H THR 43 -8.974 15.671 14.902
334 HA THR 43 HA THR 43 -11.197 15.669 13.070
335 HB THR 43 HB THR 43 -10.960 14.997 16.021
336 HG1 THR 43 HG1 THR 43 -9.681 13.908 14.234
337 1HG2 THR 43 1HG2 THR 43 -13.174 14.808 14.058
338 2HG2 THR 43 2HG2 THR 43 -12.905 13.378 15.055
339 3HG2 THR 43 3HG2 THR 43 -13.235 14.934 15.816
340 H CYS 44 H CYS 44 -10.861 17.181 16.312
341 HA CYS 44 HA CYS 44 -13.302 18.657 16.211
342 1HB CYS 44 1HB CYS 44 -10.680 19.215 17.641
343 2HB CYS 44 2HB CYS 44 -12.245 19.906 18.073
344 H LYS 45 H LYS 45 -10.116 19.310 14.873
345 HA LYS 45 HA LYS 45 -10.371 22.133 14.463
346 1HB LYS 45 1HB LYS 45 -8.262 20.916 14.312
347 2HB LYS 45 2HB LYS 45 -8.879 19.952 12.969
348 1HG LYS 45 1HG LYS 45 -9.306 22.375 11.923
349 2HG LYS 45 2HG LYS 45 -7.984 22.802 13.009
350 1HD LYS 45 1HD LYS 45 -6.646 20.919 12.029
351 2HD LYS 45 2HD LYS 45 -7.944 20.660 10.863
352 1HE LYS 45 1HE LYS 45 -7.661 22.964 10.018
353 2HE LYS 45 2HE LYS 45 -6.371 23.241 11.202
354 1HZ LYS 45 1HZ LYS 45 -5.429 21.052 10.226
355 2HZ LYS 45 2HZ LYS 45 -6.408 21.410 8.888
356 3HZ LYS 45 3HZ LYS 45 -5.196 22.499 9.367
357 H MET 46 H MET 46 -11.019 19.398 12.228
358 HA MET 46 HA MET 46 -11.959 20.954 10.042
359 1HB MET 46 1HB MET 46 -12.953 18.817 9.329
360 2HB MET 46 2HB MET 46 -11.349 18.549 10.007
361 1HG MET 46 1HG MET 46 -12.175 17.274 11.677
362 2HG MET 46 2HG MET 46 -13.423 18.458 12.054
363 1HE MET 46 1HE MET 46 -12.304 15.380 10.625
364 2HE MET 46 2HE MET 46 -13.610 14.650 9.694
365 3HE MET 46 3HE MET 46 -12.598 15.889 8.958
366 H ILE 47 H ILE 47 -13.513 20.039 13.045
367 HA ILE 47 HA ILE 47 -16.250 20.333 12.349
368 HB ILE 47 HB ILE 47 -14.826 21.141 14.908
369 1HG1 ILE 47 1HG1 ILE 47 -14.127 18.911 14.403
370 2HG1 ILE 47 2HG1 ILE 47 -15.438 18.751 15.569
371 1HG2 ILE 47 1HG2 ILE 47 -17.285 21.760 14.574
372 2HG2 ILE 47 2HG2 ILE 47 -17.617 20.028 14.554
373 3HG2 ILE 47 3HG2 ILE 47 -16.924 20.776 15.992
374 1HD1 ILE 47 1HD1 ILE 47 -15.757 18.539 12.559
375 2HD1 ILE 47 2HD1 ILE 47 -15.679 17.166 13.665
376 3HD1 ILE 47 3HD1 ILE 47 -17.027 18.300 13.759
377 H LEU 48 H LEU 48 -13.832 22.763 13.325
378 HA LEU 48 HA LEU 48 -15.623 25.019 13.323
379 1HB LEU 48 1HB LEU 48 -12.643 24.581 13.085
380 2HB LEU 48 2HB LEU 48 -13.330 26.203 13.016
381 HG LEU 48 HG LEU 48 -12.661 25.620 15.319
382 1HD1 LEU 48 1HD1 LEU 48 -14.941 26.843 14.566
383 2HD1 LEU 48 2HD1 LEU 48 -15.631 25.493 15.465
384 3HD1 LEU 48 3HD1 LEU 48 -14.514 26.601 16.260
385 1HD2 LEU 48 1HD2 LEU 48 -13.056 23.141 14.989
386 2HD2 LEU 48 2HD2 LEU 48 -13.687 23.789 16.502
387 3HD2 LEU 48 3HD2 LEU 48 -14.782 23.464 15.158
388 H GLU 49 H GLU 49 -13.553 23.525 10.850
389 HA GLU 49 HA GLU 49 -13.881 25.500 8.806
390 1HB GLU 49 1HB GLU 49 -13.471 22.494 8.659
391 2HB GLU 49 2HB GLU 49 -13.152 23.627 7.347
392 1HG GLU 49 1HG GLU 49 -11.495 24.793 8.770
393 2HG GLU 49 2HG GLU 49 -11.802 23.636 10.065
394 H LYS 50 H LYS 50 -15.989 22.954 9.967
395 HA LYS 50 HA LYS 50 -17.695 22.704 7.670
396 1HB LYS 50 1HB LYS 50 -18.084 22.297 10.650
397 2HB LYS 50 2HB LYS 50 -19.277 21.812 9.445
398 1HG LYS 50 1HG LYS 50 -17.574 20.383 8.351
399 2HG LYS 50 2HG LYS 50 -16.402 20.851 9.582
400 1HD LYS 50 1HD LYS 50 -17.363 18.709 10.209
401 2HD LYS 50 2HD LYS 50 -17.956 19.938 11.327
402 1HE LYS 50 1HE LYS 50 -20.064 20.102 10.070
403 2HE LYS 50 2HE LYS 50 -19.465 18.924 8.887
404 1HZ LYS 50 1HZ LYS 50 -19.034 17.441 10.874
405 2HZ LYS 50 2HZ LYS 50 -19.991 18.515 11.779
406 3HZ LYS 50 3HZ LYS 50 -20.667 17.676 10.468
407 H GLU 51 H GLU 51 -17.799 24.839 10.525
408 HA GLU 51 HA GLU 51 -20.329 26.060 9.989
409 1HB GLU 51 1HB GLU 51 -17.818 27.095 11.347
410 2HB GLU 51 2HB GLU 51 -19.423 27.806 11.518
411 1HG GLU 51 1HG GLU 51 -20.265 25.666 12.433
412 2HG GLU 51 2HG GLU 51 -18.651 24.973 12.280
413 H ALA 52 H ALA 52 -17.150 26.546 8.599
414 HA ALA 52 HA ALA 52 -17.676 29.173 7.470
415 1HB ALA 52 1HB ALA 52 -15.550 27.270 7.726
416 2HB ALA 52 2HB ALA 52 -15.690 27.710 6.024
417 3HB ALA 52 3HB ALA 52 -15.441 28.961 7.242
418 H LYS 53 H LYS 53 -18.398 25.892 6.536
419 HA LYS 53 HA LYS 53 -18.760 26.447 3.690
420 1HB LYS 53 1HB LYS 53 -19.502 24.193 5.575
421 2HB LYS 53 2HB LYS 53 -19.831 24.136 3.843
422 1HG LYS 53 1HG LYS 53 -17.387 24.553 3.432
423 2HG LYS 53 2HG LYS 53 -17.119 24.413 5.170
424 1HD LYS 53 1HD LYS 53 -18.075 22.128 5.122
425 2HD LYS 53 2HD LYS 53 -18.305 22.270 3.379
426 1HE LYS 53 1HE LYS 53 -15.894 22.485 3.035
427 2HE LYS 53 2HE LYS 53 -15.617 22.491 4.786
428 1HZ LYS 53 1HZ LYS 53 -16.733 20.319 4.895
429 2HZ LYS 53 2HZ LYS 53 -16.884 20.308 3.206
430 3HZ LYS 53 3HZ LYS 53 -15.342 20.258 3.920
431 H SER 54 H SER 54 -20.856 26.259 6.555
432 HA SER 54 HA SER 54 -23.369 26.413 5.165
433 1HB SER 54 1HB SER 54 -22.477 27.224 7.950
434 2HB SER 54 2HB SER 54 -24.163 27.090 7.449
435 HG SER 54 HG SER 54 -24.022 24.986 7.467
436 H GLN 55 H GLN 55 -20.924 28.771 5.843
437 HA GLN 55 HA GLN 55 -22.825 31.021 5.333
438 1HB GLN 55 1HB GLN 55 -21.383 31.055 7.352
439 2HB GLN 55 2HB GLN 55 -19.955 30.952 6.322
440 1HG GLN 55 1HG GLN 55 -20.505 33.087 5.277
441 2HG GLN 55 2HG GLN 55 -22.013 33.175 6.186
442 2HE2 GLN 55 2HE2 GLN 55 -21.439 35.079 7.409
443 1HE2 GLN 55 1HE2 GLN 55 -20.196 35.074 8.565
No H/Q in entry = 443
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -24.939 9.088 14.983
2 H2 LYS 1 H2 LYS 1 -24.204 7.559 14.977
3 H3 LYS 1 H3 LYS 1 -25.184 8.024 16.284
4 HA LYS 1 HA LYS 1 -23.613 9.617 17.039
5 1HB LYS 1 1HB LYS 1 -23.330 7.091 17.380
6 2HB LYS 1 2HB LYS 1 -22.091 7.163 16.127
7 1HG LYS 1 1HG LYS 1 -20.791 8.750 17.430
8 2HG LYS 1 2HG LYS 1 -22.072 8.865 18.636
9 1HD LYS 1 1HD LYS 1 -21.779 6.486 19.194
10 2HD LYS 1 2HD LYS 1 -20.525 6.343 17.963
11 1HE LYS 1 1HE LYS 1 -19.244 8.161 19.200
12 2HE LYS 1 2HE LYS 1 -20.429 7.993 20.509
13 1HZ LYS 1 1HZ LYS 1 -19.970 5.544 20.404
14 2HZ LYS 1 2HZ LYS 1 -18.658 5.891 19.381
15 3HZ LYS 1 3HZ LYS 1 -18.670 6.480 20.971
16 H ASN 2 H ASN 2 -23.231 11.391 15.592
17 HA ASN 2 HA ASN 2 -20.996 10.959 13.633
18 1HB ASN 2 1HB ASN 2 -23.257 11.438 12.672
19 2HB ASN 2 2HB ASN 2 -23.276 12.962 13.559
20 2HD2 ASN 2 2HD2 ASN 2 -23.391 13.938 11.283
21 1HD2 ASN 2 1HD2 ASN 2 -21.936 14.164 10.438
22 H GLU 3 H GLU 3 -19.173 12.122 14.112
23 HA GLU 3 HA GLU 3 -18.897 13.774 16.409
24 1HB GLU 3 1HB GLU 3 -17.311 13.686 13.822
25 2HB GLU 3 2HB GLU 3 -16.731 14.352 15.349
26 1HG GLU 3 1HG GLU 3 -16.867 12.184 16.418
27 2HG GLU 3 2HG GLU 3 -17.662 11.486 15.008
28 H ASP 4 H ASP 4 -19.807 14.539 13.091
29 HA ASP 4 HA ASP 4 -19.491 17.400 13.248
30 1HB ASP 4 1HB ASP 4 -21.129 15.485 11.574
31 2HB ASP 4 2HB ASP 4 -21.156 17.225 11.293
32 H GLN 5 H GLN 5 -21.702 15.259 14.710
33 HA GLN 5 HA GLN 5 -23.875 17.270 14.936
34 1HB GLN 5 1HB GLN 5 -23.478 14.350 15.564
35 2HB GLN 5 2HB GLN 5 -24.842 15.225 16.260
36 1HG GLN 5 1HG GLN 5 -25.494 15.942 13.951
37 2HG GLN 5 2HG GLN 5 -24.200 14.931 13.311
38 2HE2 GLN 5 2HE2 GLN 5 -25.366 13.212 12.361
39 1HE2 GLN 5 1HE2 GLN 5 -26.482 12.246 13.199
40 H GLU 6 H GLU 6 -21.640 15.408 16.971
41 HA GLU 6 HA GLU 6 -22.419 16.870 19.407
42 1HB GLU 6 1HB GLU 6 -20.254 14.846 18.735
43 2HB GLU 6 2HB GLU 6 -20.599 15.424 20.366
44 1HG GLU 6 1HG GLU 6 -22.693 14.374 20.432
45 2HG GLU 6 2HG GLU 6 -22.810 14.281 18.676
46 H MET 7 H MET 7 -20.327 17.357 16.770
47 HA MET 7 HA MET 7 -18.672 18.967 16.340
48 1HB MET 7 1HB MET 7 -19.796 20.107 18.920
49 2HB MET 7 2HB MET 7 -18.879 21.001 17.707
50 1HG MET 7 1HG MET 7 -20.648 20.446 16.029
51 2HG MET 7 2HG MET 7 -21.584 19.686 17.316
52 1HE MET 7 1HE MET 7 -23.190 21.148 16.102
53 2HE MET 7 2HE MET 7 -23.655 22.743 16.690
54 3HE MET 7 3HE MET 7 -22.447 22.586 15.407
55 H CYS 8 H CYS 8 -17.046 20.398 18.149
56 HA CYS 8 HA CYS 8 -15.708 18.248 19.752
57 1HB CYS 8 1HB CYS 8 -14.511 18.373 17.694
58 2HB CYS 8 2HB CYS 8 -14.620 20.133 17.652
59 H HIS 9 H HIS 9 -15.565 18.975 21.842
60 HA HIS 9 HA HIS 9 -15.373 21.934 22.303
61 1HB HIS 9 1HB HIS 9 -16.405 19.703 24.087
62 2HB HIS 9 2HB HIS 9 -16.496 21.431 24.429
63 HD1 HIS 9 HD1 HIS 9 -18.107 22.864 22.903
64 HD2 HIS 9 HD2 HIS 9 -18.365 18.746 22.305
65 HE1 HIS 9 HE1 HIS 9 -20.229 22.463 21.579
66 H GLU 10 H GLU 10 -13.773 18.900 22.699
67 HA GLU 10 HA GLU 10 -12.231 19.313 25.042
68 1HB GLU 10 1HB GLU 10 -12.456 17.239 23.631
69 2HB GLU 10 2HB GLU 10 -11.395 17.993 22.440
70 1HG GLU 10 1HG GLU 10 -9.651 18.235 24.217
71 2HG GLU 10 2HG GLU 10 -10.705 17.356 25.324
72 H PHE 11 H PHE 11 -11.489 20.218 21.656
73 HA PHE 11 HA PHE 11 -9.054 21.653 22.505
74 1HB PHE 11 1HB PHE 11 -10.473 21.051 19.913
75 2HB PHE 11 2HB PHE 11 -9.085 22.132 19.964
76 HD1 PHE 11 HD1 PHE 11 -10.151 18.727 21.134
77 HD2 PHE 11 HD2 PHE 11 -6.939 21.239 19.787
78 HE1 PHE 11 HE1 PHE 11 -8.627 16.775 21.128
79 HE2 PHE 11 HE2 PHE 11 -5.414 19.286 19.783
80 HZ PHE 11 HZ PHE 11 -6.258 17.058 20.457
81 H GLN 12 H GLN 12 -12.361 22.374 22.300
82 HA GLN 12 HA GLN 12 -12.650 24.878 21.165
83 1HB GLN 12 1HB GLN 12 -14.380 23.542 22.357
84 2HB GLN 12 2HB GLN 12 -13.641 23.992 23.894
85 1HG GLN 12 1HG GLN 12 -13.998 26.405 23.282
86 2HG GLN 12 2HG GLN 12 -14.889 25.863 21.859
87 2HE2 GLN 12 2HE2 GLN 12 -16.794 27.007 22.907
88 1HE2 GLN 12 1HE2 GLN 12 -17.675 26.187 24.104
89 H ALA 13 H ALA 13 -11.371 24.240 24.451
90 HA ALA 13 HA ALA 13 -10.876 26.926 25.213
91 1HB ALA 13 1HB ALA 13 -9.809 25.912 26.995
92 2HB ALA 13 2HB ALA 13 -8.954 24.767 25.963
93 3HB ALA 13 3HB ALA 13 -10.654 24.503 26.353
94 H PHE 14 H PHE 14 -9.305 24.963 22.839
95 HA PHE 14 HA PHE 14 -6.799 26.526 22.868
96 1HB PHE 14 1HB PHE 14 -7.858 24.351 21.036
97 2HB PHE 14 2HB PHE 14 -6.195 24.925 21.100
98 HD1 PHE 14 HD1 PHE 14 -6.434 25.322 24.264
99 HD2 PHE 14 HD2 PHE 14 -7.098 22.055 21.559
100 HE1 PHE 14 HE1 PHE 14 -5.950 23.713 26.088
101 HE2 PHE 14 HE2 PHE 14 -6.616 20.445 23.380
102 HZ PHE 14 HZ PHE 14 -6.041 21.273 25.647
103 H MET 15 H MET 15 -9.736 27.427 21.920
104 HA MET 15 HA MET 15 -8.978 28.337 19.194
105 1HB MET 15 1HB MET 15 -11.331 28.608 18.902
106 2HB MET 15 2HB MET 15 -11.143 27.116 19.813
107 1HG MET 15 1HG MET 15 -11.384 28.627 21.913
108 2HG MET 15 2HG MET 15 -12.037 29.824 20.793
109 1HE MET 15 1HE MET 15 -14.146 29.719 19.558
110 2HE MET 15 2HE MET 15 -13.554 28.330 18.637
111 3HE MET 15 3HE MET 15 -15.170 28.303 19.338
112 H LYS 16 H LYS 16 -8.103 30.355 19.062
113 HA LYS 16 HA LYS 16 -8.605 32.334 21.222
114 1HB LYS 16 1HB LYS 16 -6.299 31.836 20.552
115 2HB LYS 16 2HB LYS 16 -6.685 32.207 18.871
116 1HG LYS 16 1HG LYS 16 -5.542 34.088 20.116
117 2HG LYS 16 2HG LYS 16 -7.094 34.526 19.404
118 1HD LYS 16 1HD LYS 16 -8.211 34.357 21.518
119 2HD LYS 16 2HD LYS 16 -6.815 33.582 22.266
120 1HE LYS 16 1HE LYS 16 -5.498 35.654 21.987
121 2HE LYS 16 2HE LYS 16 -6.890 36.435 21.212
122 1HZ LYS 16 1HZ LYS 16 -7.117 35.117 23.854
123 2HZ LYS 16 2HZ LYS 16 -6.626 36.738 23.724
124 3HZ LYS 16 3HZ LYS 16 -8.155 36.262 23.156
125 H ASN 17 H ASN 17 -10.829 32.820 20.509
126 HA ASN 17 HA ASN 17 -12.399 34.141 19.347
127 1HB ASN 17 1HB ASN 17 -9.800 35.405 18.414
128 2HB ASN 17 2HB ASN 17 -11.395 36.137 18.245
129 2HD2 ASN 17 2HD2 ASN 17 -8.812 36.628 20.051
130 1HD2 ASN 17 1HD2 ASN 17 -9.500 36.921 21.574
131 H GLY 18 H GLY 18 -12.114 31.737 18.127
132 1HA GLY 18 1HA GLY 18 -12.406 32.455 15.277
133 2HA GLY 18 2HA GLY 18 -12.871 30.920 16.007
134 H LYS 19 H LYS 19 -9.741 32.002 16.898
135 HA LYS 19 HA LYS 19 -8.413 30.561 14.664
136 1HB LYS 19 1HB LYS 19 -7.737 32.840 15.620
137 2HB LYS 19 2HB LYS 19 -7.179 31.964 17.046
138 1HG LYS 19 1HG LYS 19 -6.273 31.274 14.241
139 2HG LYS 19 2HG LYS 19 -5.405 32.411 15.272
140 1HD LYS 19 1HD LYS 19 -5.495 30.485 17.040
141 2HD LYS 19 2HD LYS 19 -5.814 29.451 15.647
142 1HE LYS 19 1HE LYS 19 -3.525 31.396 15.506
143 2HE LYS 19 2HE LYS 19 -3.317 29.877 16.401
144 1HZ LYS 19 1HZ LYS 19 -4.607 29.869 13.748
145 2HZ LYS 19 2HZ LYS 19 -2.911 29.909 13.849
146 3HZ LYS 19 3HZ LYS 19 -3.770 28.617 14.534
147 H LEU 20 H LEU 20 -7.734 28.459 14.921
148 HA LEU 20 HA LEU 20 -7.746 27.323 17.693
149 1HB LEU 20 1HB LEU 20 -9.305 26.242 16.235
150 2HB LEU 20 2HB LEU 20 -8.136 26.185 14.915
151 HG LEU 20 HG LEU 20 -6.711 24.672 16.317
152 1HD1 LEU 20 1HD1 LEU 20 -9.106 24.903 18.153
153 2HD1 LEU 20 2HD1 LEU 20 -7.951 23.574 18.259
154 3HD1 LEU 20 3HD1 LEU 20 -7.416 25.232 18.535
155 1HD2 LEU 20 1HD2 LEU 20 -8.439 23.864 14.637
156 2HD2 LEU 20 2HD2 LEU 20 -8.017 22.702 15.893
157 3HD2 LEU 20 3HD2 LEU 20 -9.527 23.606 16.001
158 H PHE 21 H PHE 21 -5.694 27.154 18.528
159 HA PHE 21 HA PHE 21 -3.427 26.724 16.627
160 1HB PHE 21 1HB PHE 21 -2.076 27.424 18.664
161 2HB PHE 21 2HB PHE 21 -3.166 28.655 18.031
162 HD1 PHE 21 HD1 PHE 21 -5.201 29.287 19.239
163 HD2 PHE 21 HD2 PHE 21 -2.524 26.309 20.795
164 HE1 PHE 21 HE1 PHE 21 -6.301 29.453 21.456
165 HE2 PHE 21 HE2 PHE 21 -3.624 26.475 23.008
166 HZ PHE 21 HZ PHE 21 -5.512 28.048 23.340
167 H CYS 22 H CYS 22 -4.390 24.413 16.571
168 HA CYS 22 HA CYS 22 -4.313 22.609 18.739
169 1HB CYS 22 1HB CYS 22 -4.846 22.553 16.049
170 2HB CYS 22 2HB CYS 22 -3.373 21.588 16.135
171 HA PRO 23 HA PRO 23 0.275 21.624 17.462
172 1HB PRO 23 1HB PRO 23 1.363 24.054 16.371
173 2HB PRO 23 2HB PRO 23 1.199 22.483 15.586
174 1HG PRO 23 1HG PRO 23 -0.291 24.864 15.052
175 2HG PRO 23 2HG PRO 23 -0.502 23.273 14.316
176 1HD PRO 23 1HD PRO 23 -2.214 24.606 16.236
177 2HD PRO 23 2HD PRO 23 -2.484 23.049 15.422
178 H GLN 24 H GLN 24 0.035 21.918 19.829
179 HA GLN 24 HA GLN 24 1.491 24.346 20.824
180 1HB GLN 24 1HB GLN 24 -0.801 24.545 21.470
181 2HB GLN 24 2HB GLN 24 -0.908 22.833 21.878
182 1HG GLN 24 1HG GLN 24 0.846 23.275 23.672
183 2HG GLN 24 2HG GLN 24 0.612 24.994 23.358
184 2HE2 GLN 24 2HE2 GLN 24 -1.159 22.035 24.356
185 1HE2 GLN 24 1HE2 GLN 24 -2.373 22.861 25.208
186 H ASP 25 H ASP 25 0.376 21.434 22.499
187 HA ASP 25 HA ASP 25 3.220 20.575 22.878
188 1HB ASP 25 1HB ASP 25 1.953 21.976 24.748
189 2HB ASP 25 2HB ASP 25 1.218 20.414 25.107
190 H LYS 26 H LYS 26 2.424 19.010 21.150
191 HA LYS 26 HA LYS 26 0.328 17.110 21.711
192 1HB LYS 26 1HB LYS 26 2.587 17.459 19.783
193 2HB LYS 26 2HB LYS 26 1.815 15.877 19.871
194 1HG LYS 26 1HG LYS 26 -0.386 16.927 19.487
195 2HG LYS 26 2HG LYS 26 0.384 18.512 19.405
196 1HD LYS 26 1HD LYS 26 1.869 17.385 17.551
197 2HD LYS 26 2HD LYS 26 0.540 16.229 17.457
198 1HE LYS 26 1HE LYS 26 -1.043 18.153 17.132
199 2HE LYS 26 2HE LYS 26 0.358 19.239 17.070
200 1HZ LYS 26 1HZ LYS 26 0.094 16.810 15.378
201 2HZ LYS 26 2HZ LYS 26 -0.395 18.348 14.858
202 3HZ LYS 26 3HZ LYS 26 1.238 18.058 15.227
203 H LYS 27 H LYS 27 3.307 17.486 23.211
204 HA LYS 27 HA LYS 27 4.571 15.053 23.459
205 1HB LYS 27 1HB LYS 27 3.753 17.117 25.514
206 2HB LYS 27 2HB LYS 27 4.834 15.783 25.908
207 1HG LYS 27 1HG LYS 27 5.290 17.837 23.722
208 2HG LYS 27 2HG LYS 27 6.116 17.795 25.280
209 1HD LYS 27 1HD LYS 27 6.873 15.436 24.670
210 2HD LYS 27 2HD LYS 27 6.282 15.765 23.041
211 1HE LYS 27 1HE LYS 27 7.757 17.891 23.128
212 2HE LYS 27 2HE LYS 27 8.538 17.128 24.525
213 1HZ LYS 27 1HZ LYS 27 8.045 15.461 22.173
214 2HZ LYS 27 2HZ LYS 27 9.290 16.611 22.047
215 3HZ LYS 27 3HZ LYS 27 9.346 15.432 23.264
216 H PHE 28 H PHE 28 1.349 15.866 24.606
217 HA PHE 28 HA PHE 28 0.780 13.924 26.514
218 1HB PHE 28 1HB PHE 28 -0.938 14.704 24.136
219 2HB PHE 28 2HB PHE 28 -1.511 14.137 25.702
220 HD1 PHE 28 HD1 PHE 28 -0.070 15.533 27.696
221 HD2 PHE 28 HD2 PHE 28 -1.354 16.981 23.861
222 HE1 PHE 28 HE1 PHE 28 -0.042 17.857 28.564
223 HE2 PHE 28 HE2 PHE 28 -1.325 19.304 24.728
224 HZ PHE 28 HZ PHE 28 -0.670 19.742 27.080
225 H PHE 29 H PHE 29 1.484 13.440 23.122
226 HA PHE 29 HA PHE 29 0.302 10.979 22.517
227 1HB PHE 29 1HB PHE 29 1.714 12.421 21.045
228 2HB PHE 29 2HB PHE 29 3.141 11.881 21.926
229 HD1 PHE 29 HD1 PHE 29 3.503 9.297 22.083
230 HD2 PHE 29 HD2 PHE 29 0.954 11.196 19.193
231 HE1 PHE 29 HE1 PHE 29 3.624 7.277 20.649
232 HE2 PHE 29 HE2 PHE 29 1.074 9.175 17.760
233 HZ PHE 29 HZ PHE 29 2.409 7.216 18.488
234 H GLN 30 H GLN 30 2.754 11.629 24.897
235 HA GLN 30 HA GLN 30 4.028 9.079 25.049
236 1HB GLN 30 1HB GLN 30 3.487 11.351 26.964
237 2HB GLN 30 2HB GLN 30 4.401 9.930 27.466
238 1HG GLN 30 1HG GLN 30 5.730 10.420 25.215
239 2HG GLN 30 2HG GLN 30 5.126 12.054 25.485
240 2HE2 GLN 30 2HE2 GLN 30 6.449 13.314 26.799
241 1HE2 GLN 30 1HE2 GLN 30 7.535 12.712 27.954
242 H SER 31 H SER 31 0.786 9.915 25.706
243 HA SER 31 HA SER 31 0.415 7.332 27.164
244 1HB SER 31 1HB SER 31 -0.481 10.108 27.974
245 2HB SER 31 2HB SER 31 -1.176 8.645 28.674
246 HG SER 31 HG SER 31 0.501 9.224 29.975
247 H LEU 32 H LEU 32 -1.897 6.631 27.123
248 HA LEU 32 HA LEU 32 -3.084 6.794 24.541
249 1HB LEU 32 1HB LEU 32 -3.336 5.229 26.716
250 2HB LEU 32 2HB LEU 32 -4.764 6.240 26.935
251 HG LEU 32 HG LEU 32 -4.120 4.851 24.323
252 1HD1 LEU 32 1HD1 LEU 32 -5.515 3.882 26.791
253 2HD1 LEU 32 2HD1 LEU 32 -6.160 3.405 25.221
254 3HD1 LEU 32 3HD1 LEU 32 -4.503 2.990 25.656
255 1HD2 LEU 32 1HD2 LEU 32 -6.506 6.302 25.478
256 2HD2 LEU 32 2HD2 LEU 32 -5.647 6.637 23.974
257 3HD2 LEU 32 3HD2 LEU 32 -6.663 5.202 24.109
258 H ASP 33 H ASP 33 -4.220 8.259 27.601
259 HA ASP 33 HA ASP 33 -6.361 9.768 26.574
260 1HB ASP 33 1HB ASP 33 -4.359 10.232 28.802
261 2HB ASP 33 2HB ASP 33 -5.742 11.298 28.553
262 H GLY 34 H GLY 34 -2.897 10.491 26.662
263 1HA GLY 34 1HA GLY 34 -1.678 12.235 25.647
264 2HA GLY 34 2HA GLY 34 -3.187 13.142 25.521
265 H ILE 35 H ILE 35 -2.427 9.915 24.265
266 HA ILE 35 HA ILE 35 -1.951 10.595 21.557
267 HB ILE 35 HB ILE 35 -2.986 8.216 23.074
268 1HG1 ILE 35 1HG1 ILE 35 -0.543 8.899 22.927
269 2HG1 ILE 35 2HG1 ILE 35 -0.891 7.253 22.400
270 1HG2 ILE 35 1HG2 ILE 35 -3.320 8.723 20.182
271 2HG2 ILE 35 2HG2 ILE 35 -2.550 7.186 20.575
272 3HG2 ILE 35 3HG2 ILE 35 -4.145 7.565 21.223
273 1HD1 ILE 35 1HD1 ILE 35 -0.841 9.564 20.454
274 2HD1 ILE 35 2HD1 ILE 35 0.622 8.672 20.871
275 3HD1 ILE 35 3HD1 ILE 35 -0.729 7.839 20.105
276 H MET 36 H MET 36 -4.975 10.199 23.357
277 HA MET 36 HA MET 36 -6.795 10.135 21.163
278 1HB MET 36 1HB MET 36 -6.893 11.087 24.022
279 2HB MET 36 2HB MET 36 -8.303 11.236 22.975
280 1HG MET 36 1HG MET 36 -6.811 8.661 23.572
281 2HG MET 36 2HG MET 36 -8.373 9.121 24.249
282 1HE MET 36 1HE MET 36 -10.252 9.244 23.469
283 2HE MET 36 2HE MET 36 -10.676 9.638 21.797
284 3HE MET 36 3HE MET 36 -10.846 7.986 22.387
285 H PHE 37 H PHE 37 -5.950 12.997 23.177
286 HA PHE 37 HA PHE 37 -7.212 14.991 21.735
287 1HB PHE 37 1HB PHE 37 -6.118 16.084 23.384
288 2HB PHE 37 2HB PHE 37 -5.039 14.711 23.614
289 HD1 PHE 37 HD1 PHE 37 -2.899 14.575 22.348
290 HD2 PHE 37 HD2 PHE 37 -5.428 18.031 22.159
291 HE1 PHE 37 HE1 PHE 37 -1.038 15.878 21.371
292 HE2 PHE 37 HE2 PHE 37 -3.569 19.335 21.167
293 HZ PHE 37 HZ PHE 37 -1.380 18.245 20.771
294 H ILE 38 H ILE 38 -3.896 13.772 21.010
295 HA ILE 38 HA ILE 38 -3.392 15.266 18.685
296 HB ILE 38 HB ILE 38 -2.712 12.422 19.484
297 1HG1 ILE 38 1HG1 ILE 38 -1.311 15.097 19.672
298 2HG1 ILE 38 2HG1 ILE 38 -1.751 14.011 20.989
299 1HG2 ILE 38 1HG2 ILE 38 -2.600 12.883 16.974
300 2HG2 ILE 38 2HG2 ILE 38 -1.341 14.063 17.344
301 3HG2 ILE 38 3HG2 ILE 38 -1.092 12.360 17.725
302 1HD1 ILE 38 1HD1 ILE 38 0.209 13.265 18.803
303 2HD1 ILE 38 2HD1 ILE 38 0.695 13.944 20.355
304 3HD1 ILE 38 3HD1 ILE 38 -0.118 12.382 20.293
305 H ASN 39 H ASN 39 -5.289 12.291 19.083
306 HA ASN 39 HA ASN 39 -5.785 11.892 16.254
307 1HB ASN 39 1HB ASN 39 -7.317 10.972 18.710
308 2HB ASN 39 2HB ASN 39 -7.400 10.247 17.104
309 2HD2 ASN 39 2HD2 ASN 39 -4.353 10.814 16.853
310 1HD2 ASN 39 1HD2 ASN 39 -3.642 9.543 17.726
311 H LYS 40 H LYS 40 -7.281 13.809 18.778
312 HA LYS 40 HA LYS 40 -9.641 14.407 17.063
313 1HB LYS 40 1HB LYS 40 -8.852 14.621 19.932
314 2HB LYS 40 2HB LYS 40 -10.004 15.816 19.336
315 1HG LYS 40 1HG LYS 40 -11.561 14.134 18.679
316 2HG LYS 40 2HG LYS 40 -10.359 12.853 18.846
317 1HD LYS 40 1HD LYS 40 -10.475 14.179 21.348
318 2HD LYS 40 2HD LYS 40 -12.146 13.917 20.842
319 1HE LYS 40 1HE LYS 40 -11.503 11.503 20.344
320 2HE LYS 40 2HE LYS 40 -9.964 11.832 21.163
321 1HZ LYS 40 1HZ LYS 40 -11.332 12.738 23.040
322 2HZ LYS 40 2HZ LYS 40 -12.708 12.104 22.276
323 3HZ LYS 40 3HZ LYS 40 -11.478 11.061 22.812
324 H CYS 41 H CYS 41 -6.578 15.707 17.993
325 HA CYS 41 HA CYS 41 -6.912 18.484 17.897
326 1HB CYS 41 1HB CYS 41 -4.796 17.474 18.398
327 2HB CYS 41 2HB CYS 41 -4.763 16.624 16.854
328 H ALA 42 H ALA 42 -5.640 16.761 15.060
329 HA ALA 42 HA ALA 42 -6.464 18.770 13.188
330 1HB ALA 42 1HB ALA 42 -5.660 15.859 12.976
331 2HB ALA 42 2HB ALA 42 -5.939 16.869 11.558
332 3HB ALA 42 3HB ALA 42 -4.652 17.278 12.692
333 H THR 43 H THR 43 -8.073 15.907 14.457
334 HA THR 43 HA THR 43 -10.176 15.836 12.442
335 HB THR 43 HB THR 43 -9.933 14.662 15.233
336 HG1 THR 43 HG1 THR 43 -9.306 13.704 12.643
337 1HG2 THR 43 1HG2 THR 43 -12.258 14.859 14.038
338 2HG2 THR 43 2HG2 THR 43 -11.639 13.559 13.020
339 3HG2 THR 43 3HG2 THR 43 -11.787 13.320 14.761
340 H CYS 44 H CYS 44 -9.571 17.680 15.299
341 HA CYS 44 HA CYS 44 -12.407 18.343 15.775
342 1HB CYS 44 1HB CYS 44 -10.872 18.096 17.650
343 2HB CYS 44 2HB CYS 44 -9.764 19.273 16.943
344 H LYS 45 H LYS 45 -9.438 19.998 14.652
345 HA LYS 45 HA LYS 45 -10.538 22.567 14.183
346 1HB LYS 45 1HB LYS 45 -8.572 22.876 12.848
347 2HB LYS 45 2HB LYS 45 -8.121 21.715 14.095
348 1HG LYS 45 1HG LYS 45 -7.401 20.438 12.360
349 2HG LYS 45 2HG LYS 45 -9.109 20.071 12.123
350 1HD LYS 45 1HD LYS 45 -9.341 21.712 10.429
351 2HD LYS 45 2HD LYS 45 -7.830 22.504 10.874
352 1HE LYS 45 1HE LYS 45 -6.864 20.046 10.297
353 2HE LYS 45 2HE LYS 45 -8.270 20.067 9.215
354 1HZ LYS 45 1HZ LYS 45 -7.517 22.408 8.632
355 2HZ LYS 45 2HZ LYS 45 -6.043 22.020 9.376
356 3HZ LYS 45 3HZ LYS 45 -6.566 21.139 8.022
357 H MET 46 H MET 46 -10.880 19.572 12.413
358 HA MET 46 HA MET 46 -11.891 20.811 9.966
359 1HB MET 46 1HB MET 46 -12.252 18.491 9.318
360 2HB MET 46 2HB MET 46 -10.699 18.606 10.142
361 1HG MET 46 1HG MET 46 -11.399 17.070 11.627
362 2HG MET 46 2HG MET 46 -12.678 18.171 12.137
363 1HE MET 46 1HE MET 46 -11.375 15.851 9.634
364 2HE MET 46 2HE MET 46 -12.700 14.827 9.087
365 3HE MET 46 3HE MET 46 -12.470 16.419 8.367
366 H ILE 47 H ILE 47 -13.192 19.751 13.015
367 HA ILE 47 HA ILE 47 -15.933 19.349 12.282
368 HB ILE 47 HB ILE 47 -14.755 20.446 14.858
369 1HG1 ILE 47 1HG1 ILE 47 -13.539 18.444 14.292
370 2HG1 ILE 47 2HG1 ILE 47 -14.721 18.006 15.524
371 1HG2 ILE 47 1HG2 ILE 47 -17.237 20.526 14.649
372 2HG2 ILE 47 2HG2 ILE 47 -17.242 18.789 14.341
373 3HG2 ILE 47 3HG2 ILE 47 -16.705 19.405 15.904
374 1HD1 ILE 47 1HD1 ILE 47 -16.104 17.699 13.118
375 2HD1 ILE 47 2HD1 ILE 47 -14.491 17.075 12.772
376 3HD1 ILE 47 3HD1 ILE 47 -15.429 16.402 14.104
377 H LEU 48 H LEU 48 -14.170 22.234 13.426
378 HA LEU 48 HA LEU 48 -16.347 24.058 13.457
379 1HB LEU 48 1HB LEU 48 -13.420 24.487 12.775
380 2HB LEU 48 2HB LEU 48 -14.538 25.736 13.323
381 HG LEU 48 HG LEU 48 -14.636 23.476 15.117
382 1HD1 LEU 48 1HD1 LEU 48 -11.924 24.546 14.363
383 2HD1 LEU 48 2HD1 LEU 48 -12.236 23.986 16.006
384 3HD1 LEU 48 3HD1 LEU 48 -12.414 22.875 14.648
385 1HD2 LEU 48 1HD2 LEU 48 -15.220 25.971 15.423
386 2HD2 LEU 48 2HD2 LEU 48 -14.391 25.168 16.758
387 3HD2 LEU 48 3HD2 LEU 48 -13.490 26.216 15.663
388 H GLU 49 H GLU 49 -14.221 22.994 10.809
389 HA GLU 49 HA GLU 49 -14.815 24.811 8.785
390 1HB GLU 49 1HB GLU 49 -14.671 21.779 8.697
391 2HB GLU 49 2HB GLU 49 -14.548 22.817 7.279
392 1HG GLU 49 1HG GLU 49 -12.749 23.364 9.611
393 2HG GLU 49 2HG GLU 49 -12.365 22.008 8.551
394 H LYS 50 H LYS 50 -16.942 22.485 10.297
395 HA LYS 50 HA LYS 50 -19.029 22.624 8.250
396 1HB LYS 50 1HB LYS 50 -19.116 21.677 11.133
397 2HB LYS 50 2HB LYS 50 -20.227 21.219 9.842
398 1HG LYS 50 1HG LYS 50 -17.389 20.758 9.198
399 2HG LYS 50 2HG LYS 50 -17.981 19.795 10.552
400 1HD LYS 50 1HD LYS 50 -19.868 19.006 9.171
401 2HD LYS 50 2HD LYS 50 -19.288 19.978 7.819
402 1HE LYS 50 1HE LYS 50 -17.026 18.623 8.292
403 2HE LYS 50 2HE LYS 50 -18.176 17.437 8.939
404 1HZ LYS 50 1HZ LYS 50 -19.471 18.165 6.764
405 2HZ LYS 50 2HZ LYS 50 -17.894 18.470 6.214
406 3HZ LYS 50 3HZ LYS 50 -18.322 16.914 6.738
407 H GLU 51 H GLU 51 -18.282 24.255 11.303
408 HA GLU 51 HA GLU 51 -20.806 25.476 11.807
409 1HB GLU 51 1HB GLU 51 -17.926 26.220 12.357
410 2HB GLU 51 2HB GLU 51 -19.272 27.176 12.978
411 1HG GLU 51 1HG GLU 51 -20.133 25.296 14.217
412 2HG GLU 51 2HG GLU 51 -18.998 24.193 13.438
413 H ALA 52 H ALA 52 -18.302 26.219 9.471
414 HA ALA 52 HA ALA 52 -19.252 28.926 8.899
415 1HB ALA 52 1HB ALA 52 -16.902 27.894 8.642
416 2HB ALA 52 2HB ALA 52 -17.474 28.902 7.314
417 3HB ALA 52 3HB ALA 52 -17.524 27.145 7.172
418 H LYS 53 H LYS 53 -20.012 25.698 7.810
419 HA LYS 53 HA LYS 53 -21.229 26.498 5.279
420 1HB LYS 53 1HB LYS 53 -21.228 24.013 7.008
421 2HB LYS 53 2HB LYS 53 -22.088 24.092 5.471
422 1HG LYS 53 1HG LYS 53 -20.021 24.588 4.286
423 2HG LYS 53 2HG LYS 53 -19.133 24.684 5.806
424 1HD LYS 53 1HD LYS 53 -19.522 22.327 6.243
425 2HD LYS 53 2HD LYS 53 -20.579 22.201 4.836
426 1HE LYS 53 1HE LYS 53 -18.715 22.643 3.329
427 2HE LYS 53 2HE LYS 53 -17.636 22.960 4.702
428 1HZ LYS 53 1HZ LYS 53 -19.164 20.434 4.490
429 2HZ LYS 53 2HZ LYS 53 -17.657 20.604 3.725
430 3HZ LYS 53 3HZ LYS 53 -17.778 20.756 5.413
431 H SER 54 H SER 54 -22.343 25.958 8.594
432 HA SER 54 HA SER 54 -25.179 26.038 7.952
433 1HB SER 54 1HB SER 54 -23.681 26.525 10.548
434 2HB SER 54 2HB SER 54 -25.386 26.099 10.398
435 HG SER 54 HG SER 54 -23.654 24.385 10.771
436 H GLN 55 H GLN 55 -22.728 28.429 8.257
437 HA GLN 55 HA GLN 55 -24.726 30.577 8.828
438 1HB GLN 55 1HB GLN 55 -22.687 30.415 10.220
439 2HB GLN 55 2HB GLN 55 -21.690 30.554 8.772
440 1HG GLN 55 1HG GLN 55 -22.857 32.768 8.321
441 2HG GLN 55 2HG GLN 55 -23.555 32.637 9.936
442 2HE2 GLN 55 2HE2 GLN 55 -21.609 34.685 9.032
443 1HE2 GLN 55 1HE2 GLN 55 -20.233 34.501 10.008
No H/Q in entry = 443
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -29.648 18.197 19.315
2 H2 LYS 1 H2 LYS 1 -31.345 18.269 19.281
3 H3 LYS 1 H3 LYS 1 -30.488 17.830 17.885
4 HA LYS 1 HA LYS 1 -31.042 20.046 17.471
5 1HB LYS 1 1HB LYS 1 -31.834 20.187 19.897
6 2HB LYS 1 2HB LYS 1 -30.179 20.632 20.316
7 1HG LYS 1 1HG LYS 1 -30.302 22.549 18.760
8 2HG LYS 1 2HG LYS 1 -31.958 22.104 18.346
9 1HD LYS 1 1HD LYS 1 -32.683 22.479 20.639
10 2HD LYS 1 2HD LYS 1 -31.022 22.774 21.152
11 1HE LYS 1 1HE LYS 1 -30.920 24.755 19.654
12 2HE LYS 1 2HE LYS 1 -32.607 24.469 19.186
13 1HZ LYS 1 1HZ LYS 1 -33.197 24.551 21.560
14 2HZ LYS 1 2HZ LYS 1 -31.587 24.934 21.945
15 3HZ LYS 1 3HZ LYS 1 -32.525 26.016 21.030
16 H ASN 2 H ASN 2 -28.696 18.656 16.865
17 HA ASN 2 HA ASN 2 -26.433 20.433 17.640
18 1HB ASN 2 1HB ASN 2 -26.436 17.865 17.726
19 2HB ASN 2 2HB ASN 2 -26.397 17.914 15.963
20 2HD2 ASN 2 2HD2 ASN 2 -24.185 16.882 16.197
21 1HD2 ASN 2 1HD2 ASN 2 -22.852 17.876 16.537
22 H GLU 3 H GLU 3 -25.645 21.928 16.199
23 HA GLU 3 HA GLU 3 -26.948 22.278 13.602
24 1HB GLU 3 1HB GLU 3 -25.628 24.306 13.562
25 2HB GLU 3 2HB GLU 3 -26.195 24.081 15.216
26 1HG GLU 3 1HG GLU 3 -24.043 23.087 15.844
27 2HG GLU 3 2HG GLU 3 -23.473 23.231 14.181
28 H ASP 4 H ASP 4 -24.088 20.694 14.778
29 HA ASP 4 HA ASP 4 -23.107 20.394 11.957
30 1HB ASP 4 1HB ASP 4 -21.621 21.695 13.416
31 2HB ASP 4 2HB ASP 4 -21.629 20.396 14.609
32 H GLN 5 H GLN 5 -21.605 18.501 14.416
33 HA GLN 5 HA GLN 5 -23.332 16.243 14.561
34 1HB GLN 5 1HB GLN 5 -22.453 16.689 11.996
35 2HB GLN 5 2HB GLN 5 -21.249 15.546 12.590
36 1HG GLN 5 1HG GLN 5 -23.311 14.214 13.482
37 2HG GLN 5 2HG GLN 5 -24.227 15.184 12.329
38 2HE2 GLN 5 2HE2 GLN 5 -24.598 13.747 10.603
39 1HE2 GLN 5 1HE2 GLN 5 -23.379 12.872 9.808
40 H GLU 6 H GLU 6 -19.992 17.380 14.291
41 HA GLU 6 HA GLU 6 -19.216 15.376 16.388
42 1HB GLU 6 1HB GLU 6 -18.310 15.594 13.808
43 2HB GLU 6 2HB GLU 6 -17.126 16.573 14.674
44 1HG GLU 6 1HG GLU 6 -16.873 14.650 16.303
45 2HG GLU 6 2HG GLU 6 -17.864 13.684 15.210
46 H MET 7 H MET 7 -19.738 16.956 18.070
47 HA MET 7 HA MET 7 -18.440 19.578 18.088
48 1HB MET 7 1HB MET 7 -19.833 17.994 20.271
49 2HB MET 7 2HB MET 7 -19.538 19.733 20.273
50 1HG MET 7 1HG MET 7 -20.889 19.854 18.126
51 2HG MET 7 2HG MET 7 -21.340 18.171 18.404
52 1HE MET 7 1HE MET 7 -22.339 17.236 20.124
53 2HE MET 7 2HE MET 7 -22.039 17.956 21.712
54 3HE MET 7 3HE MET 7 -23.671 17.924 21.050
55 H CYS 8 H CYS 8 -16.624 20.164 19.341
56 HA CYS 8 HA CYS 8 -15.181 17.925 20.722
57 1HB CYS 8 1HB CYS 8 -14.277 18.458 18.464
58 2HB CYS 8 2HB CYS 8 -14.039 20.130 18.973
59 H HIS 9 H HIS 9 -15.425 18.551 22.866
60 HA HIS 9 HA HIS 9 -15.190 21.413 23.607
61 1HB HIS 9 1HB HIS 9 -15.701 18.921 25.265
62 2HB HIS 9 2HB HIS 9 -15.973 20.587 25.773
63 HD1 HIS 9 HD1 HIS 9 -17.942 21.888 24.595
64 HD2 HIS 9 HD2 HIS 9 -17.727 17.837 23.631
65 HE1 HIS 9 HE1 HIS 9 -20.142 21.297 23.486
66 H GLU 10 H GLU 10 -13.228 18.575 23.463
67 HA GLU 10 HA GLU 10 -11.414 19.104 25.631
68 1HB GLU 10 1HB GLU 10 -11.452 17.518 23.085
69 2HB GLU 10 2HB GLU 10 -9.921 17.696 23.942
70 1HG GLU 10 1HG GLU 10 -12.505 16.632 25.124
71 2HG GLU 10 2HG GLU 10 -11.091 15.669 24.697
72 H PHE 11 H PHE 11 -11.276 19.934 22.146
73 HA PHE 11 HA PHE 11 -8.868 21.600 22.618
74 1HB PHE 11 1HB PHE 11 -10.455 20.663 20.223
75 2HB PHE 11 2HB PHE 11 -9.148 21.834 20.070
76 HD1 PHE 11 HD1 PHE 11 -9.980 18.359 21.075
77 HD2 PHE 11 HD2 PHE 11 -6.845 21.189 20.292
78 HE1 PHE 11 HE1 PHE 11 -8.317 16.522 21.090
79 HE2 PHE 11 HE2 PHE 11 -5.181 19.351 20.309
80 HZ PHE 11 HZ PHE 11 -5.919 17.019 20.709
81 H GLN 12 H GLN 12 -12.295 21.953 22.420
82 HA GLN 12 HA GLN 12 -12.775 24.403 21.218
83 1HB GLN 12 1HB GLN 12 -14.452 22.970 22.326
84 2HB GLN 12 2HB GLN 12 -13.786 23.403 23.901
85 1HG GLN 12 1HG GLN 12 -14.205 25.871 23.047
86 2HG GLN 12 2HG GLN 12 -15.368 25.082 21.983
87 2HE2 GLN 12 2HE2 GLN 12 -16.392 26.803 23.926
88 1HE2 GLN 12 1HE2 GLN 12 -17.156 25.910 25.151
89 H ALA 13 H ALA 13 -11.250 23.837 24.376
90 HA ALA 13 HA ALA 13 -11.167 26.585 25.221
91 1HB ALA 13 1HB ALA 13 -8.946 25.015 26.176
92 2HB ALA 13 2HB ALA 13 -10.401 25.499 27.047
93 3HB ALA 13 3HB ALA 13 -10.388 24.003 26.114
94 H PHE 14 H PHE 14 -9.276 24.745 22.939
95 HA PHE 14 HA PHE 14 -7.054 26.699 22.942
96 1HB PHE 14 1HB PHE 14 -7.572 24.311 21.152
97 2HB PHE 14 2HB PHE 14 -6.025 25.080 21.490
98 HD1 PHE 14 HD1 PHE 14 -6.696 25.518 24.519
99 HD2 PHE 14 HD2 PHE 14 -6.839 22.108 21.913
100 HE1 PHE 14 HE1 PHE 14 -6.373 24.016 26.466
101 HE2 PHE 14 HE2 PHE 14 -6.517 20.606 23.855
102 HZ PHE 14 HZ PHE 14 -6.282 21.559 26.135
103 H MET 15 H MET 15 -10.003 27.145 21.908
104 HA MET 15 HA MET 15 -9.419 27.804 19.074
105 1HB MET 15 1HB MET 15 -11.799 27.939 18.894
106 2HB MET 15 2HB MET 15 -11.483 26.570 19.951
107 1HG MET 15 1HG MET 15 -11.713 28.243 21.895
108 2HG MET 15 2HG MET 15 -12.413 29.342 20.709
109 1HE MET 15 1HE MET 15 -13.765 27.814 18.742
110 2HE MET 15 2HE MET 15 -15.385 27.357 19.285
111 3HE MET 15 3HE MET 15 -14.796 28.996 19.545
112 H LYS 16 H LYS 16 -8.599 29.822 18.701
113 HA LYS 16 HA LYS 16 -9.113 32.009 20.646
114 1HB LYS 16 1HB LYS 16 -6.824 31.374 19.759
115 2HB LYS 16 2HB LYS 16 -7.357 31.931 18.172
116 1HG LYS 16 1HG LYS 16 -8.064 34.016 19.880
117 2HG LYS 16 2HG LYS 16 -6.494 33.489 20.488
118 1HD LYS 16 1HD LYS 16 -5.556 33.667 18.207
119 2HD LYS 16 2HD LYS 16 -7.125 34.205 17.607
120 1HE LYS 16 1HE LYS 16 -6.998 36.259 18.790
121 2HE LYS 16 2HE LYS 16 -5.716 35.660 19.859
122 1HZ LYS 16 1HZ LYS 16 -4.507 35.253 17.598
123 2HZ LYS 16 2HZ LYS 16 -5.567 36.451 17.025
124 3HZ LYS 16 3HZ LYS 16 -4.492 36.800 18.294
125 H ASN 17 H ASN 17 -11.305 32.545 20.095
126 HA ASN 17 HA ASN 17 -12.976 33.685 18.879
127 1HB ASN 17 1HB ASN 17 -10.504 34.658 17.408
128 2HB ASN 17 2HB ASN 17 -12.083 35.441 17.390
129 2HD2 ASN 17 2HD2 ASN 17 -9.172 35.935 18.707
130 1HD2 ASN 17 1HD2 ASN 17 -9.599 36.538 20.235
131 H GLY 18 H GLY 18 -12.742 31.065 18.111
132 1HA GLY 18 1HA GLY 18 -13.492 31.212 15.272
133 2HA GLY 18 2HA GLY 18 -13.651 29.798 16.312
134 H LYS 19 H LYS 19 -10.580 31.297 16.486
135 HA LYS 19 HA LYS 19 -9.423 29.635 14.313
136 1HB LYS 19 1HB LYS 19 -8.896 32.092 14.794
137 2HB LYS 19 2HB LYS 19 -8.048 31.529 16.233
138 1HG LYS 19 1HG LYS 19 -7.441 30.335 13.534
139 2HG LYS 19 2HG LYS 19 -6.683 31.845 14.036
140 1HD LYS 19 1HD LYS 19 -6.530 29.986 16.213
141 2HD LYS 19 2HD LYS 19 -5.937 29.189 14.756
142 1HE LYS 19 1HE LYS 19 -4.121 30.423 15.962
143 2HE LYS 19 2HE LYS 19 -4.399 31.084 14.340
144 1HZ LYS 19 1HZ LYS 19 -6.057 32.113 16.516
145 2HZ LYS 19 2HZ LYS 19 -4.431 32.605 16.502
146 3HZ LYS 19 3HZ LYS 19 -5.429 32.922 15.164
147 H LEU 20 H LEU 20 -9.177 27.507 15.006
148 HA LEU 20 HA LEU 20 -8.298 26.947 17.778
149 1HB LEU 20 1HB LEU 20 -10.082 25.618 16.779
150 2HB LEU 20 2HB LEU 20 -9.058 25.227 15.397
151 HG LEU 20 HG LEU 20 -7.481 24.058 16.900
152 1HD1 LEU 20 1HD1 LEU 20 -9.486 24.920 18.997
153 2HD1 LEU 20 2HD1 LEU 20 -8.326 23.618 19.267
154 3HD1 LEU 20 3HD1 LEU 20 -7.755 25.258 18.953
155 1HD2 LEU 20 1HD2 LEU 20 -10.301 23.300 16.525
156 2HD2 LEU 20 2HD2 LEU 20 -8.836 22.370 16.214
157 3HD2 LEU 20 3HD2 LEU 20 -9.502 22.446 17.844
158 H PHE 21 H PHE 21 -6.140 26.849 18.218
159 HA PHE 21 HA PHE 21 -4.232 26.416 15.974
160 1HB PHE 21 1HB PHE 21 -2.592 27.009 17.925
161 2HB PHE 21 2HB PHE 21 -3.610 28.282 17.262
162 HD1 PHE 21 HD1 PHE 21 -3.116 25.985 20.119
163 HD2 PHE 21 HD2 PHE 21 -5.430 29.239 18.533
164 HE1 PHE 21 HE1 PHE 21 -4.100 26.379 22.360
165 HE2 PHE 21 HE2 PHE 21 -6.410 29.635 20.776
166 HZ PHE 21 HZ PHE 21 -5.745 28.205 22.690
167 H CYS 22 H CYS 22 -4.654 24.129 15.746
168 HA CYS 22 HA CYS 22 -4.562 22.191 17.798
169 1HB CYS 22 1HB CYS 22 -5.320 21.851 15.471
170 2HB CYS 22 2HB CYS 22 -3.657 21.989 14.911
171 HA PRO 23 HA PRO 23 0.198 21.796 16.869
172 1HB PRO 23 1HB PRO 23 1.131 24.454 16.288
173 2HB PRO 23 2HB PRO 23 1.218 23.021 15.263
174 1HG PRO 23 1HG PRO 23 -0.450 25.318 14.914
175 2HG PRO 23 2HG PRO 23 -0.406 23.857 13.924
176 1HD PRO 23 1HD PRO 23 -2.452 24.705 15.791
177 2HD PRO 23 2HD PRO 23 -2.458 23.285 14.726
178 H GLN 24 H GLN 24 -0.690 21.865 19.231
179 HA GLN 24 HA GLN 24 0.338 24.245 20.725
180 1HB GLN 24 1HB GLN 24 -1.985 23.692 21.117
181 2HB GLN 24 2HB GLN 24 -1.590 21.993 21.370
182 1HG GLN 24 1HG GLN 24 -0.423 22.489 23.417
183 2HG GLN 24 2HG GLN 24 -0.507 24.223 23.111
184 2HE2 GLN 24 2HE2 GLN 24 -2.748 21.408 23.457
185 1HE2 GLN 24 1HE2 GLN 24 -3.947 22.280 24.283
186 H ASP 25 H ASP 25 -0.103 21.082 22.162
187 HA ASP 25 HA ASP 25 2.855 20.663 22.266
188 1HB ASP 25 1HB ASP 25 2.018 21.919 24.266
189 2HB ASP 25 2HB ASP 25 0.933 20.573 24.616
190 H LYS 26 H LYS 26 2.035 18.994 20.611
191 HA LYS 26 HA LYS 26 0.284 16.860 21.294
192 1HB LYS 26 1HB LYS 26 2.617 17.202 19.411
193 2HB LYS 26 2HB LYS 26 1.699 15.698 19.471
194 1HG LYS 26 1HG LYS 26 -0.356 16.864 18.922
195 2HG LYS 26 2HG LYS 26 0.448 18.428 19.049
196 1HD LYS 26 1HD LYS 26 2.030 17.561 17.206
197 2HD LYS 26 2HD LYS 26 0.835 16.289 16.952
198 1HE LYS 26 1HE LYS 26 -0.913 18.084 16.651
199 2HE LYS 26 2HE LYS 26 0.389 19.286 16.715
200 1HZ LYS 26 1HZ LYS 26 0.402 16.936 14.893
201 2HZ LYS 26 2HZ LYS 26 -0.163 18.469 14.427
202 3HZ LYS 26 3HZ LYS 26 1.463 18.259 14.871
203 H LYS 27 H LYS 27 3.337 17.580 22.640
204 HA LYS 27 HA LYS 27 4.736 15.252 23.037
205 1HB LYS 27 1HB LYS 27 3.892 17.417 24.976
206 2HB LYS 27 2HB LYS 27 5.098 16.199 25.384
207 1HG LYS 27 1HG LYS 27 5.287 17.967 22.934
208 2HG LYS 27 2HG LYS 27 6.048 18.364 24.475
209 1HD LYS 27 1HD LYS 27 7.377 16.330 24.401
210 2HD LYS 27 2HD LYS 27 6.532 15.787 22.952
211 1HE LYS 27 1HE LYS 27 7.365 17.960 21.844
212 2HE LYS 27 2HE LYS 27 8.465 18.102 23.229
213 1HZ LYS 27 1HZ LYS 27 8.223 15.498 21.904
214 2HZ LYS 27 2HZ LYS 27 9.119 16.702 21.107
215 3HZ LYS 27 3HZ LYS 27 9.568 16.196 22.666
216 H PHE 28 H PHE 28 1.520 15.962 24.283
217 HA PHE 28 HA PHE 28 1.319 13.997 26.331
218 1HB PHE 28 1HB PHE 28 -0.827 14.867 24.372
219 2HB PHE 28 2HB PHE 28 -1.055 14.340 26.040
220 HD1 PHE 28 HD1 PHE 28 0.722 15.722 27.693
221 HD2 PHE 28 HD2 PHE 28 -1.109 17.155 24.086
222 HE1 PHE 28 HE1 PHE 28 1.021 18.059 28.468
223 HE2 PHE 28 HE2 PHE 28 -0.812 19.491 24.858
224 HZ PHE 28 HZ PHE 28 0.253 19.944 27.048
225 H PHE 29 H PHE 29 1.665 13.613 22.936
226 HA PHE 29 HA PHE 29 0.217 11.294 22.302
227 1HB PHE 29 1HB PHE 29 1.607 12.694 20.781
228 2HB PHE 29 2HB PHE 29 3.059 12.043 21.536
229 HD1 PHE 29 HD1 PHE 29 3.297 9.444 21.563
230 HD2 PHE 29 HD2 PHE 29 0.645 11.587 18.951
231 HE1 PHE 29 HE1 PHE 29 3.210 7.485 20.045
232 HE2 PHE 29 HE2 PHE 29 0.558 9.627 17.434
233 HZ PHE 29 HZ PHE 29 1.840 7.576 17.981
234 H GLN 30 H GLN 30 2.885 11.660 24.493
235 HA GLN 30 HA GLN 30 3.845 8.928 24.444
236 1HB GLN 30 1HB GLN 30 4.035 11.289 26.321
237 2HB GLN 30 2HB GLN 30 4.818 9.751 26.688
238 1HG GLN 30 1HG GLN 30 5.768 9.969 24.251
239 2HG GLN 30 2HG GLN 30 5.384 11.679 24.453
240 2HE2 GLN 30 2HE2 GLN 30 7.222 12.787 25.122
241 1HE2 GLN 30 1HE2 GLN 30 8.361 12.206 26.237
242 H SER 31 H SER 31 0.895 10.137 25.434
243 HA SER 31 HA SER 31 0.530 7.864 27.355
244 1HB SER 31 1HB SER 31 -0.307 10.768 27.578
245 2HB SER 31 2HB SER 31 -0.961 9.502 28.617
246 HG SER 31 HG SER 31 0.739 9.959 29.767
247 H LEU 32 H LEU 32 -1.574 6.913 27.285
248 HA LEU 32 HA LEU 32 -2.929 6.780 24.827
249 1HB LEU 32 1HB LEU 32 -3.036 5.415 27.085
250 2HB LEU 32 2HB LEU 32 -4.386 6.497 27.433
251 HG LEU 32 HG LEU 32 -4.235 5.070 24.788
252 1HD1 LEU 32 1HD1 LEU 32 -4.349 3.760 27.301
253 2HD1 LEU 32 2HD1 LEU 32 -5.984 3.728 26.643
254 3HD1 LEU 32 3HD1 LEU 32 -4.646 3.057 25.710
255 1HD2 LEU 32 1HD2 LEU 32 -6.410 6.250 26.531
256 2HD2 LEU 32 2HD2 LEU 32 -5.914 6.772 24.920
257 3HD2 LEU 32 3HD2 LEU 32 -6.760 5.237 25.130
258 H ASP 33 H ASP 33 -3.776 8.743 27.685
259 HA ASP 33 HA ASP 33 -6.093 9.996 26.630
260 1HB ASP 33 1HB ASP 33 -3.959 10.738 28.632
261 2HB ASP 33 2HB ASP 33 -5.278 11.853 28.279
262 H GLY 34 H GLY 34 -2.658 10.918 26.435
263 1HA GLY 34 1HA GLY 34 -1.590 12.494 25.050
264 2HA GLY 34 2HA GLY 34 -3.145 13.305 24.883
265 H ILE 35 H ILE 35 -2.346 9.942 24.104
266 HA ILE 35 HA ILE 35 -2.031 10.206 21.297
267 HB ILE 35 HB ILE 35 -2.818 8.077 23.251
268 1HG1 ILE 35 1HG1 ILE 35 -0.454 8.626 22.814
269 2HG1 ILE 35 2HG1 ILE 35 -0.826 6.990 22.269
270 1HG2 ILE 35 1HG2 ILE 35 -3.130 7.868 20.246
271 2HG2 ILE 35 2HG2 ILE 35 -2.931 6.456 21.284
272 3HG2 ILE 35 3HG2 ILE 35 -4.334 7.506 21.481
273 1HD1 ILE 35 1HD1 ILE 35 -1.389 8.874 20.155
274 2HD1 ILE 35 2HD1 ILE 35 0.260 9.104 20.733
275 3HD1 ILE 35 3HD1 ILE 35 -0.258 7.520 20.154
276 H MET 36 H MET 36 -4.942 9.882 23.303
277 HA MET 36 HA MET 36 -6.767 9.703 21.038
278 1HB MET 36 1HB MET 36 -6.843 9.884 23.991
279 2HB MET 36 2HB MET 36 -8.253 10.542 23.159
280 1HG MET 36 1HG MET 36 -8.586 8.443 21.969
281 2HG MET 36 2HG MET 36 -7.101 7.781 22.654
282 1HE MET 36 1HE MET 36 -10.418 8.927 22.796
283 2HE MET 36 2HE MET 36 -11.070 7.429 23.475
284 3HE MET 36 3HE MET 36 -11.022 8.896 24.451
285 H PHE 37 H PHE 37 -6.381 12.293 23.506
286 HA PHE 37 HA PHE 37 -7.874 14.282 22.254
287 1HB PHE 37 1HB PHE 37 -7.111 15.305 24.119
288 2HB PHE 37 2HB PHE 37 -5.923 14.022 24.335
289 HD1 PHE 37 HD1 PHE 37 -3.645 14.253 23.371
290 HD2 PHE 37 HD2 PHE 37 -6.501 17.450 23.218
291 HE1 PHE 37 HE1 PHE 37 -1.830 15.842 22.823
292 HE2 PHE 37 HE2 PHE 37 -4.683 19.045 22.668
293 HZ PHE 37 HZ PHE 37 -2.349 18.233 22.465
294 H ILE 38 H ILE 38 -4.374 13.634 21.718
295 HA ILE 38 HA ILE 38 -3.862 15.576 19.756
296 HB ILE 38 HB ILE 38 -2.902 12.735 20.171
297 1HG1 ILE 38 1HG1 ILE 38 -1.830 15.499 20.781
298 2HG1 ILE 38 2HG1 ILE 38 -2.190 14.201 21.917
299 1HG2 ILE 38 1HG2 ILE 38 -2.700 13.459 17.757
300 2HG2 ILE 38 2HG2 ILE 38 -1.687 14.795 18.307
301 3HG2 ILE 38 3HG2 ILE 38 -1.157 13.129 18.545
302 1HD1 ILE 38 1HD1 ILE 38 -0.358 13.120 20.058
303 2HD1 ILE 38 2HD1 ILE 38 0.261 14.716 20.484
304 3HD1 ILE 38 3HD1 ILE 38 -0.051 13.525 21.747
305 H ASN 39 H ASN 39 -5.383 12.383 19.426
306 HA ASN 39 HA ASN 39 -5.621 12.429 16.552
307 1HB ASN 39 1HB ASN 39 -7.228 11.054 18.734
308 2HB ASN 39 2HB ASN 39 -7.306 10.638 17.023
309 2HD2 ASN 39 2HD2 ASN 39 -4.196 11.375 17.081
310 1HD2 ASN 39 1HD2 ASN 39 -3.505 9.926 17.626
311 H LYS 40 H LYS 40 -7.627 13.622 19.205
312 HA LYS 40 HA LYS 40 -9.941 14.293 17.607
313 1HB LYS 40 1HB LYS 40 -8.859 14.744 20.332
314 2HB LYS 40 2HB LYS 40 -10.027 15.941 19.774
315 1HG LYS 40 1HG LYS 40 -11.730 14.345 19.522
316 2HG LYS 40 2HG LYS 40 -10.589 13.001 19.441
317 1HD LYS 40 1HD LYS 40 -10.050 14.086 21.920
318 2HD LYS 40 2HD LYS 40 -11.797 14.294 21.790
319 1HE LYS 40 1HE LYS 40 -11.799 11.806 20.983
320 2HE LYS 40 2HE LYS 40 -10.193 11.739 21.733
321 1HZ LYS 40 1HZ LYS 40 -12.624 12.809 23.072
322 2HZ LYS 40 2HZ LYS 40 -12.042 11.228 23.295
323 3HZ LYS 40 3HZ LYS 40 -11.102 12.558 23.777
324 H CYS 41 H CYS 41 -7.029 16.086 18.605
325 HA CYS 41 HA CYS 41 -7.584 18.707 17.979
326 1HB CYS 41 1HB CYS 41 -5.381 17.362 18.559
327 2HB CYS 41 2HB CYS 41 -5.131 17.423 16.814
328 H ALA 42 H ALA 42 -6.164 16.564 15.484
329 HA ALA 42 HA ALA 42 -6.727 18.178 13.249
330 1HB ALA 42 1HB ALA 42 -6.445 15.211 13.718
331 2HB ALA 42 2HB ALA 42 -6.707 15.848 12.094
332 3HB ALA 42 3HB ALA 42 -5.277 16.325 13.009
333 H THR 43 H THR 43 -8.827 15.888 14.952
334 HA THR 43 HA THR 43 -10.959 16.017 12.952
335 HB THR 43 HB THR 43 -10.715 14.956 15.782
336 HG1 THR 43 HG1 THR 43 -10.854 13.703 13.241
337 1HG2 THR 43 1HG2 THR 43 -13.062 15.584 15.240
338 2HG2 THR 43 2HG2 THR 43 -12.980 14.555 13.810
339 3HG2 THR 43 3HG2 THR 43 -12.855 13.842 15.418
340 H CYS 44 H CYS 44 -10.044 17.806 15.811
341 HA CYS 44 HA CYS 44 -12.696 19.047 16.155
342 1HB CYS 44 1HB CYS 44 -9.961 19.513 17.391
343 2HB CYS 44 2HB CYS 44 -11.453 20.273 17.947
344 H LYS 45 H LYS 45 -9.407 20.162 15.260
345 HA LYS 45 HA LYS 45 -9.954 22.845 14.671
346 1HB LYS 45 1HB LYS 45 -8.012 22.598 13.115
347 2HB LYS 45 2HB LYS 45 -7.730 21.812 14.668
348 1HG LYS 45 1HG LYS 45 -7.659 19.743 13.734
349 2HG LYS 45 2HG LYS 45 -9.033 20.076 12.682
350 1HD LYS 45 1HD LYS 45 -7.091 19.754 11.285
351 2HD LYS 45 2HD LYS 45 -7.517 21.465 11.247
352 1HE LYS 45 1HE LYS 45 -5.707 22.067 12.652
353 2HE LYS 45 2HE LYS 45 -5.499 20.407 13.238
354 1HZ LYS 45 1HZ LYS 45 -5.245 19.997 10.646
355 2HZ LYS 45 2HZ LYS 45 -4.691 21.603 10.692
356 3HZ LYS 45 3HZ LYS 45 -3.916 20.407 11.619
357 H MET 46 H MET 46 -10.834 19.971 12.858
358 HA MET 46 HA MET 46 -11.505 21.395 10.403
359 1HB MET 46 1HB MET 46 -12.280 19.191 9.712
360 2HB MET 46 2HB MET 46 -10.766 19.001 10.596
361 1HG MET 46 1HG MET 46 -11.815 17.601 12.010
362 2HG MET 46 2HG MET 46 -12.841 18.937 12.525
363 1HE MET 46 1HE MET 46 -11.940 16.620 9.945
364 2HE MET 46 2HE MET 46 -13.295 15.484 9.898
365 3HE MET 46 3HE MET 46 -13.204 16.801 8.731
366 H ILE 47 H ILE 47 -13.118 20.562 13.383
367 HA ILE 47 HA ILE 47 -15.847 20.700 12.530
368 HB ILE 47 HB ILE 47 -14.603 21.523 15.176
369 1HG1 ILE 47 1HG1 ILE 47 -13.747 19.341 14.635
370 2HG1 ILE 47 2HG1 ILE 47 -15.069 19.098 15.775
371 1HG2 ILE 47 1HG2 ILE 47 -17.343 21.109 14.195
372 2HG2 ILE 47 2HG2 ILE 47 -16.976 20.200 15.662
373 3HG2 ILE 47 3HG2 ILE 47 -16.781 21.953 15.638
374 1HD1 ILE 47 1HD1 ILE 47 -15.345 18.916 12.760
375 2HD1 ILE 47 2HD1 ILE 47 -15.166 17.528 13.834
376 3HD1 ILE 47 3HD1 ILE 47 -16.595 18.555 13.951
377 H LEU 48 H LEU 48 -13.523 23.180 13.548
378 HA LEU 48 HA LEU 48 -15.380 25.386 13.602
379 1HB LEU 48 1HB LEU 48 -12.388 25.046 13.336
380 2HB LEU 48 2HB LEU 48 -13.131 26.644 13.338
381 HG LEU 48 HG LEU 48 -12.487 26.120 15.610
382 1HD1 LEU 48 1HD1 LEU 48 -14.815 27.118 15.060
383 2HD1 LEU 48 2HD1 LEU 48 -15.444 25.536 15.521
384 3HD1 LEU 48 3HD1 LEU 48 -14.549 26.504 16.692
385 1HD2 LEU 48 1HD2 LEU 48 -12.526 23.587 15.120
386 2HD2 LEU 48 2HD2 LEU 48 -13.045 24.101 16.726
387 3HD2 LEU 48 3HD2 LEU 48 -14.244 23.667 15.507
388 H GLU 49 H GLU 49 -13.234 24.035 11.100
389 HA GLU 49 HA GLU 49 -13.711 26.048 9.105
390 1HB GLU 49 1HB GLU 49 -13.011 23.101 8.872
391 2HB GLU 49 2HB GLU 49 -12.777 24.309 7.608
392 1HG GLU 49 1HG GLU 49 -11.557 24.605 10.359
393 2HG GLU 49 2HG GLU 49 -10.728 23.759 9.052
394 H LYS 50 H LYS 50 -15.572 23.296 10.199
395 HA LYS 50 HA LYS 50 -17.224 22.911 7.881
396 1HB LYS 50 1HB LYS 50 -17.456 22.376 10.844
397 2HB LYS 50 2HB LYS 50 -18.762 21.949 9.739
398 1HG LYS 50 1HG LYS 50 -17.071 20.669 8.369
399 2HG LYS 50 2HG LYS 50 -15.898 20.961 9.654
400 1HD LYS 50 1HD LYS 50 -16.921 19.501 11.101
401 2HD LYS 50 2HD LYS 50 -18.534 19.862 10.488
402 1HE LYS 50 1HE LYS 50 -18.203 18.456 8.556
403 2HE LYS 50 2HE LYS 50 -16.475 18.277 8.915
404 1HZ LYS 50 1HZ LYS 50 -18.337 17.634 11.064
405 2HZ LYS 50 2HZ LYS 50 -18.304 16.545 9.760
406 3HZ LYS 50 3HZ LYS 50 -16.883 16.875 10.632
407 H GLU 51 H GLU 51 -17.634 24.920 10.808
408 HA GLU 51 HA GLU 51 -20.237 25.919 10.248
409 1HB GLU 51 1HB GLU 51 -17.863 27.228 11.619
410 2HB GLU 51 2HB GLU 51 -19.550 27.701 11.823
411 1HG GLU 51 1HG GLU 51 -20.052 25.399 12.655
412 2HG GLU 51 2HG GLU 51 -18.334 25.017 12.545
413 H ALA 52 H ALA 52 -17.129 26.713 8.855
414 HA ALA 52 HA ALA 52 -17.875 29.306 7.781
415 1HB ALA 52 1HB ALA 52 -15.621 27.491 7.882
416 2HB ALA 52 2HB ALA 52 -15.817 28.122 6.247
417 3HB ALA 52 3HB ALA 52 -15.623 29.233 7.603
418 H LYS 53 H LYS 53 -18.429 29.771 5.572
419 HA LYS 53 HA LYS 53 -20.186 27.869 4.295
420 1HB LYS 53 1HB LYS 53 -18.900 30.459 3.372
421 2HB LYS 53 2HB LYS 53 -20.232 29.655 2.542
422 1HG LYS 53 1HG LYS 53 -21.650 29.894 4.519
423 2HG LYS 53 2HG LYS 53 -20.312 30.603 5.424
424 1HD LYS 53 1HD LYS 53 -20.229 32.486 3.832
425 2HD LYS 53 2HD LYS 53 -21.560 31.775 2.919
426 1HE LYS 53 1HE LYS 53 -22.995 31.926 4.969
427 2HE LYS 53 2HE LYS 53 -21.664 32.760 5.794
428 1HZ LYS 53 1HZ LYS 53 -21.715 34.128 3.542
429 2HZ LYS 53 2HZ LYS 53 -23.348 33.668 3.577
430 3HZ LYS 53 3HZ LYS 53 -22.688 34.556 4.868
431 H SER 54 H SER 54 -16.801 28.143 4.309
432 HA SER 54 HA SER 54 -16.218 27.383 1.574
433 1HB SER 54 1HB SER 54 -14.690 27.157 4.187
434 2HB SER 54 2HB SER 54 -13.976 26.904 2.595
435 HG SER 54 HG SER 54 -15.354 29.265 3.322
436 H GLN 55 H GLN 55 -17.267 25.643 4.395
437 HA GLN 55 HA GLN 55 -16.852 23.064 2.919
438 1HB GLN 55 1HB GLN 55 -15.246 23.348 4.764
439 2HB GLN 55 2HB GLN 55 -16.572 23.669 5.882
440 1HG GLN 55 1HG GLN 55 -15.988 21.357 6.163
441 2HG GLN 55 2HG GLN 55 -17.499 21.385 5.254
442 2HE2 GLN 55 2HE2 GLN 55 -14.366 20.088 5.251
443 1HE2 GLN 55 1HE2 GLN 55 -14.283 19.637 3.617
No H/Q in entry = 443
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -29.501 16.867 13.821
2 H2 LYS 1 H2 LYS 1 -29.480 15.432 14.731
3 H3 LYS 1 H3 LYS 1 -30.839 15.821 13.794
4 HA LYS 1 HA LYS 1 -31.409 17.645 15.207
5 1HB LYS 1 1HB LYS 1 -30.652 15.022 16.511
6 2HB LYS 1 2HB LYS 1 -31.571 16.259 17.369
7 1HG LYS 1 1HG LYS 1 -33.310 16.199 15.644
8 2HG LYS 1 2HG LYS 1 -32.379 15.021 14.719
9 1HD LYS 1 1HD LYS 1 -32.506 13.461 16.671
10 2HD LYS 1 2HD LYS 1 -33.554 14.622 17.486
11 1HE LYS 1 1HE LYS 1 -35.334 14.242 16.020
12 2HE LYS 1 2HE LYS 1 -34.268 13.699 14.711
13 1HZ LYS 1 1HZ LYS 1 -33.680 11.768 16.082
14 2HZ LYS 1 2HZ LYS 1 -34.774 12.274 17.275
15 3HZ LYS 1 3HZ LYS 1 -35.345 11.803 15.746
16 H ASN 2 H ASN 2 -28.134 16.693 15.353
17 HA ASN 2 HA ASN 2 -27.483 18.159 17.825
18 1HB ASN 2 1HB ASN 2 -26.410 16.022 16.776
19 2HB ASN 2 2HB ASN 2 -25.551 17.159 15.738
20 2HD2 ASN 2 2HD2 ASN 2 -23.862 15.796 17.342
21 1HD2 ASN 2 1HD2 ASN 2 -23.362 16.715 18.679
22 H GLU 3 H GLU 3 -26.960 20.313 17.862
23 HA GLU 3 HA GLU 3 -27.170 22.006 15.567
24 1HB GLU 3 1HB GLU 3 -25.986 22.283 18.338
25 2HB GLU 3 2HB GLU 3 -26.052 23.637 17.211
26 1HG GLU 3 1HG GLU 3 -28.484 23.429 17.052
27 2HG GLU 3 2HG GLU 3 -28.452 22.004 18.091
28 H ASP 4 H ASP 4 -24.479 20.222 16.924
29 HA ASP 4 HA ASP 4 -22.234 20.015 16.213
30 1HB ASP 4 1HB ASP 4 -23.808 20.825 13.773
31 2HB ASP 4 2HB ASP 4 -22.069 20.554 13.667
32 H GLN 5 H GLN 5 -22.339 22.197 17.716
33 HA GLN 5 HA GLN 5 -21.021 24.358 16.097
34 1HB GLN 5 1HB GLN 5 -23.386 24.688 17.133
35 2HB GLN 5 2HB GLN 5 -22.535 24.773 18.675
36 1HG GLN 5 1HG GLN 5 -21.058 26.559 17.646
37 2HG GLN 5 2HG GLN 5 -22.157 26.569 16.266
38 2HE2 GLN 5 2HE2 GLN 5 -21.591 28.578 18.606
39 1HE2 GLN 5 1HE2 GLN 5 -23.149 28.972 19.155
40 H GLU 6 H GLU 6 -20.779 22.146 18.705
41 HA GLU 6 HA GLU 6 -18.079 23.134 19.369
42 1HB GLU 6 1HB GLU 6 -20.445 23.153 21.263
43 2HB GLU 6 2HB GLU 6 -18.776 23.222 21.830
44 1HG GLU 6 1HG GLU 6 -18.437 25.237 20.364
45 2HG GLU 6 2HG GLU 6 -20.163 25.206 20.002
46 H MET 7 H MET 7 -19.288 20.679 18.236
47 HA MET 7 HA MET 7 -19.683 18.496 19.855
48 1HB MET 7 1HB MET 7 -19.450 18.684 17.319
49 2HB MET 7 2HB MET 7 -17.711 18.524 17.559
50 1HG MET 7 1HG MET 7 -18.444 16.306 17.168
51 2HG MET 7 2HG MET 7 -18.291 16.404 18.922
52 1HE MET 7 1HE MET 7 -19.436 14.248 18.294
53 2HE MET 7 2HE MET 7 -21.162 14.048 18.584
54 3HE MET 7 3HE MET 7 -20.564 14.332 16.944
55 H CYS 8 H CYS 8 -16.395 19.485 18.802
56 HA CYS 8 HA CYS 8 -15.109 17.821 20.819
57 1HB CYS 8 1HB CYS 8 -14.287 18.525 18.491
58 2HB CYS 8 2HB CYS 8 -13.920 20.093 19.211
59 H HIS 9 H HIS 9 -15.420 18.465 22.944
60 HA HIS 9 HA HIS 9 -15.332 21.357 23.626
61 1HB HIS 9 1HB HIS 9 -16.027 18.809 25.114
62 2HB HIS 9 2HB HIS 9 -16.033 20.399 25.874
63 HD1 HIS 9 HD1 HIS 9 -18.131 18.147 23.933
64 HD2 HIS 9 HD2 HIS 9 -17.895 22.274 24.464
65 HE1 HIS 9 HE1 HIS 9 -20.327 19.101 23.108
66 H GLU 10 H GLU 10 -13.170 18.790 23.354
67 HA GLU 10 HA GLU 10 -11.522 19.348 25.708
68 1HB GLU 10 1HB GLU 10 -11.244 17.721 23.171
69 2HB GLU 10 2HB GLU 10 -9.954 17.810 24.370
70 1HG GLU 10 1HG GLU 10 -11.507 16.982 26.103
71 2HG GLU 10 2HG GLU 10 -12.797 16.894 24.904
72 H PHE 11 H PHE 11 -11.175 19.927 22.183
73 HA PHE 11 HA PHE 11 -8.798 21.608 22.608
74 1HB PHE 11 1HB PHE 11 -10.486 20.734 20.263
75 2HB PHE 11 2HB PHE 11 -9.170 21.887 20.070
76 HD1 PHE 11 HD1 PHE 11 -6.840 21.226 20.415
77 HD2 PHE 11 HD2 PHE 11 -10.040 18.394 20.854
78 HE1 PHE 11 HE1 PHE 11 -5.202 19.366 20.349
79 HE2 PHE 11 HE2 PHE 11 -8.402 16.535 20.786
80 HZ PHE 11 HZ PHE 11 -5.984 17.024 20.534
81 H GLN 12 H GLN 12 -12.205 22.069 22.583
82 HA GLN 12 HA GLN 12 -12.671 24.536 21.403
83 1HB GLN 12 1HB GLN 12 -14.373 23.216 22.549
84 2HB GLN 12 2HB GLN 12 -13.577 23.481 24.101
85 1HG GLN 12 1HG GLN 12 -13.888 26.000 23.619
86 2HG GLN 12 2HG GLN 12 -15.024 25.489 22.370
87 2HE2 GLN 12 2HE2 GLN 12 -16.571 26.730 23.937
88 1HE2 GLN 12 1HE2 GLN 12 -17.272 25.823 25.189
89 H ALA 13 H ALA 13 -11.231 23.967 24.624
90 HA ALA 13 HA ALA 13 -10.930 26.668 25.432
91 1HB ALA 13 1HB ALA 13 -8.788 25.429 26.534
92 2HB ALA 13 2HB ALA 13 -10.435 25.175 27.112
93 3HB ALA 13 3HB ALA 13 -9.702 24.018 26.002
94 H PHE 14 H PHE 14 -9.311 24.883 22.940
95 HA PHE 14 HA PHE 14 -7.035 26.791 22.853
96 1HB PHE 14 1HB PHE 14 -7.664 24.348 21.174
97 2HB PHE 14 2HB PHE 14 -6.103 25.145 21.346
98 HD1 PHE 14 HD1 PHE 14 -6.411 25.718 24.371
99 HD2 PHE 14 HD2 PHE 14 -6.960 22.184 21.995
100 HE1 PHE 14 HE1 PHE 14 -5.915 24.308 26.351
101 HE2 PHE 14 HE2 PHE 14 -6.462 20.774 23.969
102 HZ PHE 14 HZ PHE 14 -5.940 21.836 26.151
103 H MET 15 H MET 15 -9.991 27.321 21.991
104 HA MET 15 HA MET 15 -9.604 27.847 19.098
105 1HB MET 15 1HB MET 15 -12.003 28.237 19.158
106 2HB MET 15 2HB MET 15 -11.658 26.770 20.066
107 1HG MET 15 1HG MET 15 -11.527 28.374 22.125
108 2HG MET 15 2HG MET 15 -12.415 29.496 21.094
109 1HE MET 15 1HE MET 15 -14.112 28.862 19.657
110 2HE MET 15 2HE MET 15 -14.663 27.200 19.465
111 3HE MET 15 3HE MET 15 -15.627 28.354 20.396
112 H LYS 16 H LYS 16 -8.345 29.706 18.879
113 HA LYS 16 HA LYS 16 -8.716 32.020 20.654
114 1HB LYS 16 1HB LYS 16 -6.545 31.153 19.626
115 2HB LYS 16 2HB LYS 16 -7.127 31.786 18.085
116 1HG LYS 16 1HG LYS 16 -7.529 33.892 19.871
117 2HG LYS 16 2HG LYS 16 -5.974 33.215 20.354
118 1HD LYS 16 1HD LYS 16 -5.207 33.342 17.995
119 2HD LYS 16 2HD LYS 16 -6.750 34.071 17.548
120 1HE LYS 16 1HE LYS 16 -6.300 36.049 18.800
121 2HE LYS 16 2HE LYS 16 -4.970 35.276 19.685
122 1HZ LYS 16 1HZ LYS 16 -5.036 35.657 16.734
123 2HZ LYS 16 2HZ LYS 16 -4.206 36.681 17.806
124 3HZ LYS 16 3HZ LYS 16 -3.741 35.055 17.648
125 H ASN 17 H ASN 17 -10.849 32.788 20.232
126 HA ASN 17 HA ASN 17 -12.494 34.024 19.069
127 1HB ASN 17 1HB ASN 17 -10.052 34.660 17.380
128 2HB ASN 17 2HB ASN 17 -11.545 35.599 17.420
129 2HD2 ASN 17 2HD2 ASN 17 -8.461 35.566 18.679
130 1HD2 ASN 17 1HD2 ASN 17 -8.738 36.415 20.121
131 H GLY 18 H GLY 18 -12.677 31.393 18.439
132 1HA GLY 18 1HA GLY 18 -13.629 31.458 15.682
133 2HA GLY 18 2HA GLY 18 -13.726 30.080 16.779
134 H LYS 19 H LYS 19 -10.589 31.168 16.869
135 HA LYS 19 HA LYS 19 -9.729 29.526 14.524
136 1HB LYS 19 1HB LYS 19 -9.061 32.002 15.032
137 2HB LYS 19 2HB LYS 19 -7.984 31.291 16.234
138 1HG LYS 19 1HG LYS 19 -8.028 30.410 13.337
139 2HG LYS 19 2HG LYS 19 -6.946 31.665 13.943
140 1HD LYS 19 1HD LYS 19 -6.086 30.029 15.636
141 2HD LYS 19 2HD LYS 19 -7.080 28.783 14.880
142 1HE LYS 19 1HE LYS 19 -5.804 28.801 12.893
143 2HE LYS 19 2HE LYS 19 -5.125 30.403 13.239
144 1HZ LYS 19 1HZ LYS 19 -4.300 29.214 15.386
145 2HZ LYS 19 2HZ LYS 19 -4.480 27.800 14.462
146 3HZ LYS 19 3HZ LYS 19 -3.429 29.025 13.939
147 H LEU 20 H LEU 20 -9.539 27.409 15.244
148 HA LEU 20 HA LEU 20 -8.534 26.801 17.944
149 1HB LEU 20 1HB LEU 20 -10.268 25.405 17.140
150 2HB LEU 20 2HB LEU 20 -9.532 25.267 15.544
151 HG LEU 20 HG LEU 20 -7.614 24.032 16.627
152 1HD1 LEU 20 1HD1 LEU 20 -9.470 24.283 19.001
153 2HD1 LEU 20 2HD1 LEU 20 -8.236 23.028 18.901
154 3HD1 LEU 20 3HD1 LEU 20 -7.766 24.727 18.903
155 1HD2 LEU 20 1HD2 LEU 20 -10.295 23.141 16.080
156 2HD2 LEU 20 2HD2 LEU 20 -8.780 22.264 15.866
157 3HD2 LEU 20 3HD2 LEU 20 -9.630 22.193 17.409
158 H PHE 21 H PHE 21 -6.350 26.812 18.303
159 HA PHE 21 HA PHE 21 -4.507 26.327 16.020
160 1HB PHE 21 1HB PHE 21 -2.811 27.017 17.866
161 2HB PHE 21 2HB PHE 21 -3.907 28.251 17.253
162 HD1 PHE 21 HD1 PHE 21 -3.155 26.017 20.100
163 HD2 PHE 21 HD2 PHE 21 -5.694 29.151 18.620
164 HE1 PHE 21 HE1 PHE 21 -4.010 26.407 22.392
165 HE2 PHE 21 HE2 PHE 21 -6.550 29.541 20.914
166 HZ PHE 21 HZ PHE 21 -5.707 28.169 22.801
167 H CYS 22 H CYS 22 -4.890 24.036 15.862
168 HA CYS 22 HA CYS 22 -4.763 22.146 17.945
169 1HB CYS 22 1HB CYS 22 -5.529 21.601 15.731
170 2HB CYS 22 2HB CYS 22 -3.973 22.019 15.025
171 HA PRO 23 HA PRO 23 0.010 21.809 17.063
172 1HB PRO 23 1HB PRO 23 0.900 24.473 16.444
173 2HB PRO 23 2HB PRO 23 1.030 23.020 15.449
174 1HG PRO 23 1HG PRO 23 -0.682 25.278 15.039
175 2HG PRO 23 2HG PRO 23 -0.589 23.804 14.071
176 1HD PRO 23 1HD PRO 23 -2.688 24.630 15.877
177 2HD PRO 23 2HD PRO 23 -2.631 23.181 14.853
178 H GLN 24 H GLN 24 -0.609 21.764 19.409
179 HA GLN 24 HA GLN 24 0.257 24.232 20.882
180 1HB GLN 24 1HB GLN 24 -2.070 23.674 21.253
181 2HB GLN 24 2HB GLN 24 -1.668 21.981 21.540
182 1HG GLN 24 1HG GLN 24 -0.489 22.549 23.583
183 2HG GLN 24 2HG GLN 24 -0.671 24.272 23.259
184 2HE2 GLN 24 2HE2 GLN 24 -2.730 21.330 23.655
185 1HE2 GLN 24 1HE2 GLN 24 -3.989 22.141 24.453
186 H ASP 25 H ASP 25 -0.186 21.092 22.364
187 HA ASP 25 HA ASP 25 2.780 20.730 22.552
188 1HB ASP 25 1HB ASP 25 1.763 21.895 24.544
189 2HB ASP 25 2HB ASP 25 0.764 20.465 24.808
190 H LYS 26 H LYS 26 1.860 19.162 20.750
191 HA LYS 26 HA LYS 26 0.234 16.935 21.274
192 1HB LYS 26 1HB LYS 26 2.634 17.445 19.524
193 2HB LYS 26 2HB LYS 26 1.803 15.890 19.487
194 1HG LYS 26 1HG LYS 26 -0.354 17.171 19.101
195 2HG LYS 26 2HG LYS 26 0.630 18.619 18.885
196 1HD LYS 26 1HD LYS 26 1.938 17.249 17.134
197 2HD LYS 26 2HD LYS 26 0.589 16.115 17.196
198 1HE LYS 26 1HE LYS 26 -0.967 18.012 16.664
199 2HE LYS 26 2HE LYS 26 0.448 19.063 16.463
200 1HZ LYS 26 1HZ LYS 26 0.356 16.447 15.108
201 2HZ LYS 26 2HZ LYS 26 -0.479 17.760 14.427
202 3HZ LYS 26 3HZ LYS 26 1.197 17.854 14.664
203 H LYS 27 H LYS 27 3.306 17.624 22.690
204 HA LYS 27 HA LYS 27 4.651 15.275 23.082
205 1HB LYS 27 1HB LYS 27 3.801 17.372 25.099
206 2HB LYS 27 2HB LYS 27 5.060 16.180 25.407
207 1HG LYS 27 1HG LYS 27 5.084 18.123 23.080
208 2HG LYS 27 2HG LYS 27 5.962 18.369 24.589
209 1HD LYS 27 1HD LYS 27 7.128 16.181 24.199
210 2HD LYS 27 2HD LYS 27 6.340 16.092 22.623
211 1HE LYS 27 1HE LYS 27 7.365 18.392 22.134
212 2HE LYS 27 2HE LYS 27 8.365 18.134 23.577
213 1HZ LYS 27 1HZ LYS 27 8.086 16.061 21.479
214 2HZ LYS 27 2HZ LYS 27 9.269 17.274 21.360
215 3HZ LYS 27 3HZ LYS 27 9.288 16.199 22.672
216 H PHE 28 H PHE 28 1.422 16.008 24.306
217 HA PHE 28 HA PHE 28 1.124 14.082 26.339
218 1HB PHE 28 1HB PHE 28 -0.854 14.869 24.171
219 2HB PHE 28 2HB PHE 28 -1.256 14.234 25.765
220 HD1 PHE 28 HD1 PHE 28 0.002 15.582 27.766
221 HD2 PHE 28 HD2 PHE 28 -1.009 17.169 23.907
222 HE1 PHE 28 HE1 PHE 28 0.064 17.882 28.693
223 HE2 PHE 28 HE2 PHE 28 -0.949 19.467 24.832
224 HZ PHE 28 HZ PHE 28 -0.412 19.824 27.224
225 H PHE 29 H PHE 29 1.575 13.633 22.930
226 HA PHE 29 HA PHE 29 0.344 11.211 22.316
227 1HB PHE 29 1HB PHE 29 1.736 12.639 20.828
228 2HB PHE 29 2HB PHE 29 3.180 12.095 21.682
229 HD1 PHE 29 HD1 PHE 29 3.423 9.450 21.879
230 HD2 PHE 29 HD2 PHE 29 1.082 11.489 18.909
231 HE1 PHE 29 HE1 PHE 29 3.531 7.448 20.420
232 HE2 PHE 29 HE2 PHE 29 1.190 9.486 17.451
233 HZ PHE 29 HZ PHE 29 2.415 7.466 18.205
234 H GLN 30 H GLN 30 2.929 11.777 24.588
235 HA GLN 30 HA GLN 30 4.018 9.114 24.695
236 1HB GLN 30 1HB GLN 30 3.904 11.486 26.571
237 2HB GLN 30 2HB GLN 30 4.794 10.016 26.969
238 1HG GLN 30 1HG GLN 30 5.867 10.341 24.602
239 2HG GLN 30 2HG GLN 30 5.311 12.005 24.772
240 2HE2 GLN 30 2HE2 GLN 30 6.785 13.362 25.790
241 1HE2 GLN 30 1HE2 GLN 30 7.990 12.858 26.873
242 H SER 31 H SER 31 0.940 10.210 25.526
243 HA SER 31 HA SER 31 0.556 7.868 27.353
244 1HB SER 31 1HB SER 31 -0.849 9.325 28.763
245 2HB SER 31 2HB SER 31 0.778 9.990 28.620
246 HG SER 31 HG SER 31 -0.160 11.199 26.770
247 H LEU 32 H LEU 32 -1.597 6.968 27.257
248 HA LEU 32 HA LEU 32 -2.854 6.839 24.744
249 1HB LEU 32 1HB LEU 32 -3.080 5.361 26.817
250 2HB LEU 32 2HB LEU 32 -4.224 6.558 27.424
251 HG LEU 32 HG LEU 32 -5.270 4.596 26.194
252 1HD1 LEU 32 1HD1 LEU 32 -6.171 7.051 26.450
253 2HD1 LEU 32 2HD1 LEU 32 -5.843 7.153 24.720
254 3HD1 LEU 32 3HD1 LEU 32 -6.974 5.946 25.333
255 1HD2 LEU 32 1HD2 LEU 32 -3.400 4.634 24.429
256 2HD2 LEU 32 2HD2 LEU 32 -5.049 4.432 23.832
257 3HD2 LEU 32 3HD2 LEU 32 -4.256 6.004 23.719
258 H ASP 33 H ASP 33 -3.899 8.733 27.589
259 HA ASP 33 HA ASP 33 -6.115 10.044 26.442
260 1HB ASP 33 1HB ASP 33 -4.035 10.825 28.499
261 2HB ASP 33 2HB ASP 33 -5.414 11.865 28.141
262 H GLY 34 H GLY 34 -2.660 10.804 26.268
263 1HA GLY 34 1HA GLY 34 -1.513 12.390 24.954
264 2HA GLY 34 2HA GLY 34 -3.034 13.261 24.775
265 H ILE 35 H ILE 35 -2.177 9.917 23.926
266 HA ILE 35 HA ILE 35 -1.925 10.248 21.123
267 HB ILE 35 HB ILE 35 -2.681 8.043 23.019
268 1HG1 ILE 35 1HG1 ILE 35 -0.329 8.608 22.744
269 2HG1 ILE 35 2HG1 ILE 35 -0.629 7.040 21.992
270 1HG2 ILE 35 1HG2 ILE 35 -2.944 7.971 20.010
271 2HG2 ILE 35 2HG2 ILE 35 -2.621 6.511 20.944
272 3HG2 ILE 35 3HG2 ILE 35 -4.104 7.426 21.221
273 1HD1 ILE 35 1HD1 ILE 35 -1.160 8.762 19.918
274 2HD1 ILE 35 2HD1 ILE 35 0.148 9.599 20.753
275 3HD1 ILE 35 3HD1 ILE 35 0.388 7.952 20.172
276 H MET 36 H MET 36 -4.783 9.908 23.183
277 HA MET 36 HA MET 36 -6.662 9.650 20.971
278 1HB MET 36 1HB MET 36 -6.687 9.999 23.925
279 2HB MET 36 2HB MET 36 -8.141 10.493 23.055
280 1HG MET 36 1HG MET 36 -6.799 7.787 22.757
281 2HG MET 36 2HG MET 36 -8.206 8.094 23.776
282 1HE MET 36 1HE MET 36 -10.335 8.487 23.235
283 2HE MET 36 2HE MET 36 -11.138 8.067 21.724
284 3HE MET 36 3HE MET 36 -10.295 6.823 22.658
285 H PHE 37 H PHE 37 -6.293 12.309 23.365
286 HA PHE 37 HA PHE 37 -7.800 14.244 22.035
287 1HB PHE 37 1HB PHE 37 -7.087 15.356 23.869
288 2HB PHE 37 2HB PHE 37 -5.936 14.060 24.182
289 HD1 PHE 37 HD1 PHE 37 -3.615 14.206 23.291
290 HD2 PHE 37 HD2 PHE 37 -6.390 17.459 22.941
291 HE1 PHE 37 HE1 PHE 37 -1.744 15.740 22.769
292 HE2 PHE 37 HE2 PHE 37 -4.516 18.999 22.419
293 HZ PHE 37 HZ PHE 37 -2.195 18.133 22.329
294 H ILE 38 H ILE 38 -4.295 13.588 21.579
295 HA ILE 38 HA ILE 38 -3.731 15.503 19.603
296 HB ILE 38 HB ILE 38 -2.804 12.662 20.074
297 1HG1 ILE 38 1HG1 ILE 38 -1.733 15.428 20.665
298 2HG1 ILE 38 2HG1 ILE 38 -2.085 14.130 21.804
299 1HG2 ILE 38 1HG2 ILE 38 -2.534 13.240 17.668
300 2HG2 ILE 38 2HG2 ILE 38 -1.639 14.686 18.138
301 3HG2 ILE 38 3HG2 ILE 38 -0.981 13.088 18.491
302 1HD1 ILE 38 1HD1 ILE 38 -0.264 12.956 20.082
303 2HD1 ILE 38 2HD1 ILE 38 0.333 14.611 20.218
304 3HD1 ILE 38 3HD1 ILE 38 0.119 13.628 21.667
305 H ASN 39 H ASN 39 -5.282 12.323 19.290
306 HA ASN 39 HA ASN 39 -5.465 12.344 16.407
307 1HB ASN 39 1HB ASN 39 -7.047 10.966 18.600
308 2HB ASN 39 2HB ASN 39 -7.182 10.563 16.889
309 2HD2 ASN 39 2HD2 ASN 39 -6.237 8.654 18.828
310 1HD2 ASN 39 1HD2 ASN 39 -4.604 8.330 18.498
311 H LYS 40 H LYS 40 -7.571 13.476 19.019
312 HA LYS 40 HA LYS 40 -9.809 14.183 17.323
313 1HB LYS 40 1HB LYS 40 -8.849 14.823 20.110
314 2HB LYS 40 2HB LYS 40 -10.274 15.629 19.454
315 1HG LYS 40 1HG LYS 40 -11.437 13.567 19.180
316 2HG LYS 40 2HG LYS 40 -9.967 12.621 19.413
317 1HD LYS 40 1HD LYS 40 -9.927 13.855 21.755
318 2HD LYS 40 2HD LYS 40 -11.654 14.041 21.446
319 1HE LYS 40 1HE LYS 40 -11.637 11.498 20.925
320 2HE LYS 40 2HE LYS 40 -10.064 11.486 21.745
321 1HZ LYS 40 1HZ LYS 40 -11.235 12.824 23.542
322 2HZ LYS 40 2HZ LYS 40 -12.693 12.346 22.815
323 3HZ LYS 40 3HZ LYS 40 -11.634 11.179 23.450
324 H CYS 41 H CYS 41 -6.866 15.841 18.368
325 HA CYS 41 HA CYS 41 -7.364 18.522 17.914
326 1HB CYS 41 1HB CYS 41 -5.185 17.021 18.332
327 2HB CYS 41 2HB CYS 41 -4.962 17.309 16.607
328 H ALA 42 H ALA 42 -6.069 16.451 15.289
329 HA ALA 42 HA ALA 42 -6.637 18.203 13.151
330 1HB ALA 42 1HB ALA 42 -6.719 15.169 13.152
331 2HB ALA 42 2HB ALA 42 -6.317 16.211 11.787
332 3HB ALA 42 3HB ALA 42 -5.229 16.112 13.172
333 H THR 43 H THR 43 -8.714 15.804 14.738
334 HA THR 43 HA THR 43 -10.884 15.942 12.836
335 HB THR 43 HB THR 43 -10.750 15.183 15.773
336 HG1 THR 43 HG1 THR 43 -10.353 13.833 13.339
337 1HG2 THR 43 1HG2 THR 43 -12.908 15.004 13.701
338 2HG2 THR 43 2HG2 THR 43 -12.775 13.728 14.912
339 3HG2 THR 43 3HG2 THR 43 -13.036 15.397 15.415
340 H CYS 44 H CYS 44 -10.565 17.341 16.125
341 HA CYS 44 HA CYS 44 -12.910 18.922 16.095
342 1HB CYS 44 1HB CYS 44 -10.228 19.541 17.374
343 2HB CYS 44 2HB CYS 44 -11.807 20.099 17.926
344 H LYS 45 H LYS 45 -9.660 19.611 14.838
345 HA LYS 45 HA LYS 45 -9.893 22.371 14.303
346 1HB LYS 45 1HB LYS 45 -7.830 21.109 14.070
347 2HB LYS 45 2HB LYS 45 -8.537 20.114 12.796
348 1HG LYS 45 1HG LYS 45 -8.955 22.539 11.710
349 2HG LYS 45 2HG LYS 45 -7.531 22.918 12.679
350 1HD LYS 45 1HD LYS 45 -7.619 20.486 10.891
351 2HD LYS 45 2HD LYS 45 -7.131 22.065 10.274
352 1HE LYS 45 1HE LYS 45 -5.428 22.159 12.168
353 2HE LYS 45 2HE LYS 45 -5.807 20.453 12.478
354 1HZ LYS 45 1HZ LYS 45 -5.373 20.013 10.107
355 2HZ LYS 45 2HZ LYS 45 -4.898 21.630 9.899
356 3HZ LYS 45 3HZ LYS 45 -3.996 20.600 10.905
357 H MET 46 H MET 46 -10.845 19.609 12.224
358 HA MET 46 HA MET 46 -11.822 21.240 10.060
359 1HB MET 46 1HB MET 46 -12.667 19.136 9.235
360 2HB MET 46 2HB MET 46 -11.138 18.803 10.044
361 1HG MET 46 1HG MET 46 -12.154 17.416 11.492
362 2HG MET 46 2HG MET 46 -13.295 18.674 11.954
363 1HE MET 46 1HE MET 46 -12.189 16.002 9.824
364 2HE MET 46 2HE MET 46 -13.612 15.211 9.151
365 3HE MET 46 3HE MET 46 -12.887 16.593 8.318
366 H ILE 47 H ILE 47 -13.194 20.271 13.110
367 HA ILE 47 HA ILE 47 -15.977 20.456 12.546
368 HB ILE 47 HB ILE 47 -14.425 21.255 15.032
369 1HG1 ILE 47 1HG1 ILE 47 -13.812 19.009 14.351
370 2HG1 ILE 47 2HG1 ILE 47 -14.922 18.886 15.715
371 1HG2 ILE 47 1HG2 ILE 47 -17.306 20.862 14.401
372 2HG2 ILE 47 2HG2 ILE 47 -16.735 20.196 15.931
373 3HG2 ILE 47 3HG2 ILE 47 -16.550 21.917 15.594
374 1HD1 ILE 47 1HD1 ILE 47 -16.744 18.830 13.778
375 2HD1 ILE 47 2HD1 ILE 47 -15.380 18.240 12.829
376 3HD1 ILE 47 3HD1 ILE 47 -15.899 17.362 14.268
377 H LEU 48 H LEU 48 -13.571 22.960 13.295
378 HA LEU 48 HA LEU 48 -15.515 25.133 13.396
379 1HB LEU 48 1HB LEU 48 -12.499 24.908 13.208
380 2HB LEU 48 2HB LEU 48 -13.326 26.464 13.293
381 HG LEU 48 HG LEU 48 -12.706 25.853 15.543
382 1HD1 LEU 48 1HD1 LEU 48 -15.289 26.410 14.768
383 2HD1 LEU 48 2HD1 LEU 48 -15.504 24.964 15.753
384 3HD1 LEU 48 3HD1 LEU 48 -14.723 26.389 16.438
385 1HD2 LEU 48 1HD2 LEU 48 -12.569 23.351 14.869
386 2HD2 LEU 48 2HD2 LEU 48 -13.087 23.735 16.511
387 3HD2 LEU 48 3HD2 LEU 48 -14.280 23.294 15.290
388 H GLU 49 H GLU 49 -13.236 23.849 10.980
389 HA GLU 49 HA GLU 49 -13.587 25.852 8.979
390 1HB GLU 49 1HB GLU 49 -13.038 22.873 8.750
391 2HB GLU 49 2HB GLU 49 -12.702 24.071 7.500
392 1HG GLU 49 1HG GLU 49 -11.135 25.224 8.991
393 2HG GLU 49 2HG GLU 49 -11.511 24.093 10.291
394 H LYS 50 H LYS 50 -15.579 23.116 9.921
395 HA LYS 50 HA LYS 50 -17.196 22.940 7.550
396 1HB LYS 50 1HB LYS 50 -17.547 22.215 10.466
397 2HB LYS 50 2HB LYS 50 -18.775 21.841 9.257
398 1HG LYS 50 1HG LYS 50 -15.924 21.068 8.727
399 2HG LYS 50 2HG LYS 50 -16.891 20.076 9.819
400 1HD LYS 50 1HD LYS 50 -18.520 19.635 8.118
401 2HD LYS 50 2HD LYS 50 -17.845 20.872 7.058
402 1HE LYS 50 1HE LYS 50 -15.711 19.526 6.961
403 2HE LYS 50 2HE LYS 50 -16.551 18.241 7.849
404 1HZ LYS 50 1HZ LYS 50 -17.856 19.460 5.513
405 2HZ LYS 50 2HZ LYS 50 -16.631 18.313 5.246
406 3HZ LYS 50 3HZ LYS 50 -18.013 17.886 6.132
407 H GLU 51 H GLU 51 -17.479 24.852 10.539
408 HA GLU 51 HA GLU 51 -20.093 25.907 10.101
409 1HB GLU 51 1HB GLU 51 -17.624 26.990 11.493
410 2HB GLU 51 2HB GLU 51 -19.234 27.691 11.665
411 1HG GLU 51 1HG GLU 51 -20.082 25.532 12.516
412 2HG GLU 51 2HG GLU 51 -18.471 24.834 12.348
413 H ALA 52 H ALA 52 -17.036 26.629 8.597
414 HA ALA 52 HA ALA 52 -17.792 29.288 7.633
415 1HB ALA 52 1HB ALA 52 -15.475 28.757 8.028
416 2HB ALA 52 2HB ALA 52 -15.667 28.908 6.281
417 3HB ALA 52 3HB ALA 52 -15.577 27.311 7.025
418 H LYS 53 H LYS 53 -18.602 29.785 5.577
419 HA LYS 53 HA LYS 53 -20.010 27.688 4.131
420 1HB LYS 53 1HB LYS 53 -19.455 30.627 3.625
421 2HB LYS 53 2HB LYS 53 -20.543 29.654 2.635
422 1HG LYS 53 1HG LYS 53 -21.980 29.218 4.532
423 2HG LYS 53 2HG LYS 53 -20.832 29.974 5.636
424 1HD LYS 53 1HD LYS 53 -21.158 32.140 4.509
425 2HD LYS 53 2HD LYS 53 -22.283 31.389 3.377
426 1HE LYS 53 1HE LYS 53 -22.645 31.735 6.371
427 2HE LYS 53 2HE LYS 53 -23.653 32.399 5.073
428 1HZ LYS 53 1HZ LYS 53 -23.854 29.948 4.357
429 2HZ LYS 53 2HZ LYS 53 -23.359 29.589 5.942
430 3HZ LYS 53 3HZ LYS 53 -24.782 30.474 5.679
431 H SER 54 H SER 54 -16.787 28.486 4.174
432 HA SER 54 HA SER 54 -16.157 28.483 1.339
433 1HB SER 54 1HB SER 54 -14.539 27.910 3.843
434 2HB SER 54 2HB SER 54 -13.846 28.175 2.242
435 HG SER 54 HG SER 54 -14.794 29.971 4.047
436 H GLN 55 H GLN 55 -16.852 26.014 3.685
437 HA GLN 55 HA GLN 55 -15.709 23.900 1.907
438 1HB GLN 55 1HB GLN 55 -16.615 24.014 4.796
439 2HB GLN 55 2HB GLN 55 -16.162 22.507 4.000
440 1HG GLN 55 1HG GLN 55 -13.957 23.617 3.398
441 2HG GLN 55 2HG GLN 55 -14.420 24.940 4.469
442 2HE2 GLN 55 2HE2 GLN 55 -12.208 22.862 4.764
443 1HE2 GLN 55 1HE2 GLN 55 -12.493 22.143 6.275
No H/Q in entry = 443
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -26.293 25.366 23.799
2 H2 LYS 1 H2 LYS 1 -26.687 25.065 25.420
3 H3 LYS 1 H3 LYS 1 -25.401 26.110 25.040
4 HA LYS 1 HA LYS 1 -23.989 24.394 24.424
5 1HB LYS 1 1HB LYS 1 -24.707 24.532 26.857
6 2HB LYS 1 2HB LYS 1 -25.813 23.198 26.530
7 1HG LYS 1 1HG LYS 1 -23.930 21.785 25.827
8 2HG LYS 1 2HG LYS 1 -22.811 23.122 26.094
9 1HD LYS 1 1HD LYS 1 -23.584 23.171 28.500
10 2HD LYS 1 2HD LYS 1 -24.483 21.688 28.177
11 1HE LYS 1 1HE LYS 1 -22.344 20.596 27.458
12 2HE LYS 1 2HE LYS 1 -21.476 22.069 27.931
13 1HZ LYS 1 1HZ LYS 1 -23.304 20.542 29.716
14 2HZ LYS 1 2HZ LYS 1 -21.614 20.389 29.736
15 3HZ LYS 1 3HZ LYS 1 -22.337 21.870 30.149
16 H ASN 2 H ASN 2 -24.827 23.777 22.242
17 HA ASN 2 HA ASN 2 -26.397 21.221 22.303
18 1HB ASN 2 1HB ASN 2 -27.497 23.172 21.235
19 2HB ASN 2 2HB ASN 2 -26.121 23.340 20.146
20 2HD2 ASN 2 2HD2 ASN 2 -27.010 20.071 20.982
21 1HD2 ASN 2 1HD2 ASN 2 -27.776 19.690 19.517
22 H GLU 3 H GLU 3 -25.188 19.459 21.743
23 HA GLU 3 HA GLU 3 -22.470 19.624 20.827
24 1HB GLU 3 1HB GLU 3 -24.500 17.367 20.782
25 2HB GLU 3 2HB GLU 3 -22.755 17.166 20.618
26 1HG GLU 3 1HG GLU 3 -24.111 18.450 23.009
27 2HG GLU 3 2HG GLU 3 -23.575 16.770 22.954
28 H ASP 4 H ASP 4 -25.459 19.865 19.149
29 HA ASP 4 HA ASP 4 -24.563 18.782 16.593
30 1HB ASP 4 1HB ASP 4 -26.889 20.373 17.653
31 2HB ASP 4 2HB ASP 4 -26.699 20.145 15.915
32 H GLN 5 H GLN 5 -23.553 21.452 18.243
33 HA GLN 5 HA GLN 5 -23.096 23.016 15.720
34 1HB GLN 5 1HB GLN 5 -23.331 24.043 18.565
35 2HB GLN 5 2HB GLN 5 -23.288 25.010 17.091
36 1HG GLN 5 1HG GLN 5 -25.421 22.922 17.543
37 2HG GLN 5 2HG GLN 5 -25.604 24.569 18.145
38 2HE2 GLN 5 2HE2 GLN 5 -26.647 22.785 15.649
39 1HE2 GLN 5 1HE2 GLN 5 -26.630 23.932 14.399
40 H GLU 6 H GLU 6 -21.785 21.807 18.751
41 HA GLU 6 HA GLU 6 -19.031 22.398 17.738
42 1HB GLU 6 1HB GLU 6 -20.293 23.007 20.421
43 2HB GLU 6 2HB GLU 6 -18.543 22.943 20.206
44 1HG GLU 6 1HG GLU 6 -20.441 24.727 18.649
45 2HG GLU 6 2HG GLU 6 -19.389 25.254 19.961
46 H MET 7 H MET 7 -19.967 19.917 17.327
47 HA MET 7 HA MET 7 -20.108 17.943 19.241
48 1HB MET 7 1HB MET 7 -18.506 17.954 16.661
49 2HB MET 7 2HB MET 7 -19.031 16.501 17.512
50 1HG MET 7 1HG MET 7 -21.409 17.418 17.326
51 2HG MET 7 2HG MET 7 -20.760 18.611 16.200
52 1HE MET 7 1HE MET 7 -22.577 17.867 15.009
53 2HE MET 7 2HE MET 7 -22.184 17.039 13.504
54 3HE MET 7 3HE MET 7 -23.037 16.180 14.794
55 H CYS 8 H CYS 8 -17.240 19.782 18.338
56 HA CYS 8 HA CYS 8 -15.549 18.103 20.136
57 1HB CYS 8 1HB CYS 8 -14.632 18.469 17.955
58 2HB CYS 8 2HB CYS 8 -15.032 20.186 18.001
59 H HIS 9 H HIS 9 -15.728 18.833 22.240
60 HA HIS 9 HA HIS 9 -15.724 21.795 22.706
61 1HB HIS 9 1HB HIS 9 -16.774 19.398 24.224
62 2HB HIS 9 2HB HIS 9 -16.622 20.983 24.983
63 HD1 HIS 9 HD1 HIS 9 -19.298 19.273 23.984
64 HD2 HIS 9 HD2 HIS 9 -17.720 22.794 22.405
65 HE1 HIS 9 HE1 HIS 9 -21.194 20.419 22.754
66 H GLU 10 H GLU 10 -13.816 18.981 22.935
67 HA GLU 10 HA GLU 10 -12.309 19.616 25.332
68 1HB GLU 10 1HB GLU 10 -11.912 17.846 22.910
69 2HB GLU 10 2HB GLU 10 -10.733 17.916 24.219
70 1HG GLU 10 1HG GLU 10 -12.486 17.277 25.835
71 2HG GLU 10 2HG GLU 10 -13.667 17.206 24.526
72 H PHE 11 H PHE 11 -11.717 20.089 21.834
73 HA PHE 11 HA PHE 11 -9.222 21.567 22.363
74 1HB PHE 11 1HB PHE 11 -10.829 20.718 19.964
75 2HB PHE 11 2HB PHE 11 -9.467 21.819 19.787
76 HD1 PHE 11 HD1 PHE 11 -10.414 18.478 21.184
77 HD2 PHE 11 HD2 PHE 11 -7.261 21.005 19.730
78 HE1 PHE 11 HE1 PHE 11 -8.843 16.565 21.266
79 HE2 PHE 11 HE2 PHE 11 -5.688 19.091 19.816
80 HZ PHE 11 HZ PHE 11 -6.479 16.877 20.587
81 H GLN 12 H GLN 12 -12.572 22.306 22.120
82 HA GLN 12 HA GLN 12 -12.759 24.767 20.854
83 1HB GLN 12 1HB GLN 12 -14.515 23.423 22.119
84 2HB GLN 12 2HB GLN 12 -13.895 24.160 23.597
85 1HG GLN 12 1HG GLN 12 -14.492 26.353 22.870
86 2HG GLN 12 2HG GLN 12 -14.767 25.807 21.215
87 2HE2 GLN 12 2HE2 GLN 12 -17.009 26.738 21.468
88 1HE2 GLN 12 1HE2 GLN 12 -18.192 25.832 22.282
89 H ALA 13 H ALA 13 -11.538 24.167 24.155
90 HA ALA 13 HA ALA 13 -11.049 26.867 24.901
91 1HB ALA 13 1HB ALA 13 -9.962 25.873 26.702
92 2HB ALA 13 2HB ALA 13 -9.202 24.642 25.692
93 3HB ALA 13 3HB ALA 13 -10.909 24.504 26.117
94 H PHE 14 H PHE 14 -9.419 24.806 22.625
95 HA PHE 14 HA PHE 14 -6.917 26.363 22.666
96 1HB PHE 14 1HB PHE 14 -7.952 24.169 20.843
97 2HB PHE 14 2HB PHE 14 -6.284 24.727 20.944
98 HD1 PHE 14 HD1 PHE 14 -6.651 25.187 24.101
99 HD2 PHE 14 HD2 PHE 14 -7.191 21.871 21.430
100 HE1 PHE 14 HE1 PHE 14 -6.243 23.613 25.973
101 HE2 PHE 14 HE2 PHE 14 -6.784 20.295 23.298
102 HZ PHE 14 HZ PHE 14 -6.309 21.166 25.572
103 H MET 15 H MET 15 -9.793 27.323 21.704
104 HA MET 15 HA MET 15 -9.178 28.100 18.922
105 1HB MET 15 1HB MET 15 -11.523 28.538 20.792
106 2HB MET 15 2HB MET 15 -11.499 29.033 19.101
107 1HG MET 15 1HG MET 15 -11.042 26.674 18.456
108 2HG MET 15 2HG MET 15 -11.179 26.215 20.149
109 1HE MET 15 1HE MET 15 -13.344 27.404 21.540
110 2HE MET 15 2HE MET 15 -13.350 28.828 20.503
111 3HE MET 15 3HE MET 15 -14.830 27.898 20.717
112 H LYS 16 H LYS 16 -7.736 29.777 18.824
113 HA LYS 16 HA LYS 16 -7.843 31.981 20.806
114 1HB LYS 16 1HB LYS 16 -5.685 31.042 20.174
115 2HB LYS 16 2HB LYS 16 -6.031 31.308 18.465
116 1HG LYS 16 1HG LYS 16 -6.067 33.728 18.817
117 2HG LYS 16 2HG LYS 16 -5.834 33.504 20.550
118 1HD LYS 16 1HD LYS 16 -3.683 32.237 19.924
119 2HD LYS 16 2HD LYS 16 -3.886 32.924 18.312
120 1HE LYS 16 1HE LYS 16 -3.635 34.492 20.907
121 2HE LYS 16 2HE LYS 16 -2.430 34.401 19.609
122 1HZ LYS 16 1HZ LYS 16 -4.301 35.155 18.097
123 2HZ LYS 16 2HZ LYS 16 -5.158 35.562 19.506
124 3HZ LYS 16 3HZ LYS 16 -3.684 36.327 19.155
125 H ASN 17 H ASN 17 -9.596 33.323 20.308
126 HA ASN 17 HA ASN 17 -10.906 34.844 19.054
127 1HB ASN 17 1HB ASN 17 -8.535 35.774 19.010
128 2HB ASN 17 2HB ASN 17 -8.361 35.035 17.418
129 2HD2 ASN 17 2HD2 ASN 17 -8.851 37.980 18.644
130 1HD2 ASN 17 1HD2 ASN 17 -9.950 38.627 17.525
131 H GLY 18 H GLY 18 -11.588 32.329 18.336
132 1HA GLY 18 1HA GLY 18 -12.419 32.598 15.591
133 2HA GLY 18 2HA GLY 18 -12.629 31.157 16.587
134 H LYS 19 H LYS 19 -9.598 31.280 17.106
135 HA LYS 19 HA LYS 19 -8.799 29.980 14.524
136 1HB LYS 19 1HB LYS 19 -7.941 32.354 14.999
137 2HB LYS 19 2HB LYS 19 -7.006 31.635 16.311
138 1HG LYS 19 1HG LYS 19 -6.872 30.548 13.496
139 2HG LYS 19 2HG LYS 19 -5.835 31.874 14.022
140 1HD LYS 19 1HD LYS 19 -5.122 30.398 15.965
141 2HD LYS 19 2HD LYS 19 -5.967 29.071 15.165
142 1HE LYS 19 1HE LYS 19 -4.545 29.353 13.166
143 2HE LYS 19 2HE LYS 19 -3.707 30.707 13.949
144 1HZ LYS 19 1HZ LYS 19 -3.976 28.217 15.460
145 2HZ LYS 19 2HZ LYS 19 -2.857 28.223 14.183
146 3HZ LYS 19 3HZ LYS 19 -2.707 29.341 15.453
147 H LEU 20 H LEU 20 -8.938 27.837 15.306
148 HA LEU 20 HA LEU 20 -8.041 27.010 17.923
149 1HB LEU 20 1HB LEU 20 -9.672 25.903 16.268
150 2HB LEU 20 2HB LEU 20 -8.238 25.321 15.421
151 HG LEU 20 HG LEU 20 -8.850 24.818 18.348
152 1HD1 LEU 20 1HD1 LEU 20 -9.779 23.528 15.951
153 2HD1 LEU 20 2HD1 LEU 20 -8.712 22.427 16.824
154 3HD1 LEU 20 3HD1 LEU 20 -10.126 23.109 17.629
155 1HD2 LEU 20 1HD2 LEU 20 -6.534 24.251 16.554
156 2HD2 LEU 20 2HD2 LEU 20 -6.555 24.632 18.276
157 3HD2 LEU 20 3HD2 LEU 20 -6.983 23.011 17.726
158 H PHE 21 H PHE 21 -5.943 26.732 18.583
159 HA PHE 21 HA PHE 21 -3.836 26.537 16.464
160 1HB PHE 21 1HB PHE 21 -2.388 27.199 18.536
161 2HB PHE 21 2HB PHE 21 -3.410 28.427 17.794
162 HD1 PHE 21 HD1 PHE 21 -3.016 26.157 20.684
163 HD2 PHE 21 HD2 PHE 21 -5.388 29.271 18.914
164 HE1 PHE 21 HE1 PHE 21 -4.184 26.496 22.844
165 HE2 PHE 21 HE2 PHE 21 -6.555 29.610 21.076
166 HZ PHE 21 HZ PHE 21 -5.953 28.223 23.040
167 H CYS 22 H CYS 22 -4.297 24.192 16.273
168 HA CYS 22 HA CYS 22 -4.178 22.296 18.346
169 1HB CYS 22 1HB CYS 22 -4.695 22.060 15.831
170 2HB CYS 22 2HB CYS 22 -2.956 21.887 15.614
171 HA PRO 23 HA PRO 23 0.630 22.112 17.653
172 1HB PRO 23 1HB PRO 23 1.459 24.785 16.987
173 2HB PRO 23 2HB PRO 23 1.665 23.312 16.037
174 1HG PRO 23 1HG PRO 23 -0.093 25.502 15.502
175 2HG PRO 23 2HG PRO 23 0.061 23.998 14.591
176 1HD PRO 23 1HD PRO 23 -2.098 24.837 16.327
177 2HD PRO 23 2HD PRO 23 -1.998 23.371 15.331
178 H GLN 24 H GLN 24 -0.287 22.199 19.969
179 HA GLN 24 HA GLN 24 0.712 24.643 21.398
180 1HB GLN 24 1HB GLN 24 -1.686 24.465 21.546
181 2HB GLN 24 2HB GLN 24 -1.590 22.746 21.924
182 1HG GLN 24 1HG GLN 24 -0.350 23.343 24.026
183 2HG GLN 24 2HG GLN 24 -0.646 25.042 23.663
184 2HE2 GLN 24 2HE2 GLN 24 -2.430 21.943 24.125
185 1HE2 GLN 24 1HE2 GLN 24 -3.818 22.669 24.780
186 H ASP 25 H ASP 25 -0.334 21.603 22.830
187 HA ASP 25 HA ASP 25 2.508 20.992 23.566
188 1HB ASP 25 1HB ASP 25 0.810 22.168 25.254
189 2HB ASP 25 2HB ASP 25 0.248 20.511 25.473
190 H LYS 26 H LYS 26 1.923 19.503 21.583
191 HA LYS 26 HA LYS 26 0.082 17.325 21.902
192 1HB LYS 26 1HB LYS 26 2.441 18.018 20.185
193 2HB LYS 26 2HB LYS 26 1.797 16.377 20.114
194 1HG LYS 26 1HG LYS 26 -0.451 17.285 19.623
195 2HG LYS 26 2HG LYS 26 0.200 18.923 19.685
196 1HD LYS 26 1HD LYS 26 1.874 18.101 17.882
197 2HD LYS 26 2HD LYS 26 0.757 16.754 17.663
198 1HE LYS 26 1HE LYS 26 -1.090 18.409 17.277
199 2HE LYS 26 2HE LYS 26 0.113 19.711 17.360
200 1HZ LYS 26 1HZ LYS 26 1.367 18.591 15.605
201 2HZ LYS 26 2HZ LYS 26 0.182 17.377 15.511
202 3HZ LYS 26 3HZ LYS 26 -0.197 18.974 15.072
203 H LYS 27 H LYS 27 2.936 17.963 23.592
204 HA LYS 27 HA LYS 27 4.437 15.680 23.852
205 1HB LYS 27 1HB LYS 27 3.315 17.677 25.793
206 2HB LYS 27 2HB LYS 27 4.268 16.329 26.412
207 1HG LYS 27 1HG LYS 27 6.140 16.945 24.964
208 2HG LYS 27 2HG LYS 27 5.184 18.238 24.241
209 1HD LYS 27 1HD LYS 27 4.965 19.260 26.530
210 2HD LYS 27 2HD LYS 27 6.092 18.040 27.127
211 1HE LYS 27 1HE LYS 27 6.630 20.219 25.085
212 2HE LYS 27 2HE LYS 27 7.456 19.942 26.630
213 1HZ LYS 27 1HZ LYS 27 7.879 17.607 25.633
214 2HZ LYS 27 2HZ LYS 27 7.587 18.362 24.139
215 3HZ LYS 27 3HZ LYS 27 8.858 18.900 25.126
216 H PHE 28 H PHE 28 1.074 16.065 24.806
217 HA PHE 28 HA PHE 28 0.653 13.944 26.583
218 1HB PHE 28 1HB PHE 28 -1.085 14.696 24.214
219 2HB PHE 28 2HB PHE 28 -1.622 14.023 25.750
220 HD1 PHE 28 HD1 PHE 28 -0.312 15.481 27.805
221 HD2 PHE 28 HD2 PHE 28 -1.740 16.928 24.020
222 HE1 PHE 28 HE1 PHE 28 -0.512 17.765 28.753
223 HE2 PHE 28 HE2 PHE 28 -1.942 19.210 24.969
224 HZ PHE 28 HZ PHE 28 -1.326 19.629 27.333
225 H PHE 29 H PHE 29 1.560 13.806 23.226
226 HA PHE 29 HA PHE 29 0.629 11.313 22.354
227 1HB PHE 29 1HB PHE 29 1.909 12.947 21.027
228 2HB PHE 29 2HB PHE 29 3.346 12.619 21.993
229 HD1 PHE 29 HD1 PHE 29 4.118 10.115 22.104
230 HD2 PHE 29 HD2 PHE 29 1.519 11.712 19.078
231 HE1 PHE 29 HE1 PHE 29 4.685 8.216 20.613
232 HE2 PHE 29 HE2 PHE 29 2.087 9.812 17.588
233 HZ PHE 29 HZ PHE 29 3.670 8.065 18.356
234 H GLN 30 H GLN 30 2.895 11.975 24.903
235 HA GLN 30 HA GLN 30 4.375 9.513 24.881
236 1HB GLN 30 1HB GLN 30 3.667 11.579 26.976
237 2HB GLN 30 2HB GLN 30 4.756 10.232 27.308
238 1HG GLN 30 1HG GLN 30 5.968 11.042 25.119
239 2HG GLN 30 2HG GLN 30 5.137 12.563 25.451
240 2HE2 GLN 30 2HE2 GLN 30 6.411 13.952 26.669
241 1HE2 GLN 30 1HE2 GLN 30 7.530 13.472 27.852
242 H SER 31 H SER 31 1.085 10.033 25.479
243 HA SER 31 HA SER 31 0.887 7.374 26.821
244 1HB SER 31 1HB SER 31 -0.343 9.985 27.756
245 2HB SER 31 2HB SER 31 -0.723 8.405 28.440
246 HG SER 31 HG SER 31 1.225 8.281 29.314
247 H LEU 32 H LEU 32 -1.335 6.478 26.662
248 HA LEU 32 HA LEU 32 -2.515 6.770 24.084
249 1HB LEU 32 1HB LEU 32 -2.624 4.907 25.922
250 2HB LEU 32 2HB LEU 32 -4.005 5.827 26.520
251 HG LEU 32 HG LEU 32 -4.647 4.014 24.910
252 1HD1 LEU 32 1HD1 LEU 32 -5.668 6.514 25.161
253 2HD1 LEU 32 2HD1 LEU 32 -5.271 6.517 23.442
254 3HD1 LEU 32 3HD1 LEU 32 -6.361 5.293 24.093
255 1HD2 LEU 32 1HD2 LEU 32 -2.447 4.608 23.535
256 2HD2 LEU 32 2HD2 LEU 32 -3.874 3.958 22.727
257 3HD2 LEU 32 3HD2 LEU 32 -3.550 5.691 22.687
258 H ASP 33 H ASP 33 -3.858 7.774 27.244
259 HA ASP 33 HA ASP 33 -6.090 9.205 26.348
260 1HB ASP 33 1HB ASP 33 -4.128 9.686 28.613
261 2HB ASP 33 2HB ASP 33 -5.641 10.579 28.460
262 H GLY 34 H GLY 34 -2.693 10.172 26.486
263 1HA GLY 34 1HA GLY 34 -1.613 12.088 25.640
264 2HA GLY 34 2HA GLY 34 -3.185 12.889 25.591
265 H ILE 35 H ILE 35 -2.119 9.870 24.054
266 HA ILE 35 HA ILE 35 -1.762 10.821 21.412
267 HB ILE 35 HB ILE 35 -2.588 8.219 22.692
268 1HG1 ILE 35 1HG1 ILE 35 -0.223 9.090 22.759
269 2HG1 ILE 35 2HG1 ILE 35 -0.386 7.519 21.972
270 1HG2 ILE 35 1HG2 ILE 35 -2.511 8.892 19.751
271 2HG2 ILE 35 2HG2 ILE 35 -2.175 7.256 20.317
272 3HG2 ILE 35 3HG2 ILE 35 -3.743 7.998 20.641
273 1HD1 ILE 35 1HD1 ILE 35 -0.694 9.873 20.197
274 2HD1 ILE 35 2HD1 ILE 35 0.923 9.626 20.856
275 3HD1 ILE 35 3HD1 ILE 35 0.152 8.352 19.912
276 H MET 36 H MET 36 -4.690 10.026 23.219
277 HA MET 36 HA MET 36 -6.570 9.905 21.096
278 1HB MET 36 1HB MET 36 -6.535 10.539 24.002
279 2HB MET 36 2HB MET 36 -7.971 11.039 23.109
280 1HG MET 36 1HG MET 36 -8.048 8.673 22.161
281 2HG MET 36 2HG MET 36 -6.821 8.249 23.355
282 1HE MET 36 1HE MET 36 -9.736 7.656 22.412
283 2HE MET 36 2HE MET 36 -9.891 6.618 23.827
284 3HE MET 36 3HE MET 36 -11.033 7.944 23.569
285 H PHE 37 H PHE 37 -5.904 12.772 23.166
286 HA PHE 37 HA PHE 37 -7.354 14.680 21.760
287 1HB PHE 37 1HB PHE 37 -6.408 15.842 23.450
288 2HB PHE 37 2HB PHE 37 -5.243 14.546 23.707
289 HD1 PHE 37 HD1 PHE 37 -3.054 14.581 22.490
290 HD2 PHE 37 HD2 PHE 37 -5.794 17.874 22.350
291 HE1 PHE 37 HE1 PHE 37 -1.250 16.038 21.634
292 HE2 PHE 37 HE2 PHE 37 -3.992 19.336 21.482
293 HZ PHE 37 HZ PHE 37 -1.722 18.408 21.123
294 H ILE 38 H ILE 38 -3.928 13.788 21.068
295 HA ILE 38 HA ILE 38 -3.496 15.412 18.822
296 HB ILE 38 HB ILE 38 -2.636 12.578 19.473
297 1HG1 ILE 38 1HG1 ILE 38 -1.429 15.321 19.896
298 2HG1 ILE 38 2HG1 ILE 38 -1.861 14.131 21.125
299 1HG2 ILE 38 1HG2 ILE 38 -2.444 13.760 16.988
300 2HG2 ILE 38 2HG2 ILE 38 -0.907 14.199 17.731
301 3HG2 ILE 38 3HG2 ILE 38 -1.366 12.502 17.592
302 1HD1 ILE 38 1HD1 ILE 38 0.247 13.675 18.996
303 2HD1 ILE 38 2HD1 ILE 38 0.603 14.223 20.634
304 3HD1 ILE 38 3HD1 ILE 38 -0.111 12.633 20.373
305 H ASN 39 H ASN 39 -5.270 12.366 19.086
306 HA ASN 39 HA ASN 39 -5.708 12.144 16.190
307 1HB ASN 39 1HB ASN 39 -6.766 10.714 18.647
308 2HB ASN 39 2HB ASN 39 -7.175 10.241 16.998
309 2HD2 ASN 39 2HD2 ASN 39 -5.269 9.168 19.354
310 1HD2 ASN 39 1HD2 ASN 39 -3.890 8.693 18.485
311 H LYS 40 H LYS 40 -7.260 13.681 18.891
312 HA LYS 40 HA LYS 40 -9.886 13.861 17.543
313 1HB LYS 40 1HB LYS 40 -9.560 13.482 20.002
314 2HB LYS 40 2HB LYS 40 -8.845 15.090 20.115
315 1HG LYS 40 1HG LYS 40 -10.894 16.143 19.453
316 2HG LYS 40 2HG LYS 40 -11.607 14.602 18.976
317 1HD LYS 40 1HD LYS 40 -11.635 13.846 21.288
318 2HD LYS 40 2HD LYS 40 -10.770 15.292 21.809
319 1HE LYS 40 1HE LYS 40 -13.236 15.463 22.224
320 2HE LYS 40 2HE LYS 40 -12.672 16.699 21.083
321 1HZ LYS 40 1HZ LYS 40 -13.529 14.038 20.126
322 2HZ LYS 40 2HZ LYS 40 -14.685 15.245 20.426
323 3HZ LYS 40 3HZ LYS 40 -13.468 15.507 19.275
324 H CYS 41 H CYS 41 -7.038 15.872 18.132
325 HA CYS 41 HA CYS 41 -8.144 18.439 17.639
326 1HB CYS 41 1HB CYS 41 -5.797 17.638 18.420
327 2HB CYS 41 2HB CYS 41 -5.415 17.560 16.703
328 H ALA 42 H ALA 42 -6.094 16.792 15.206
329 HA ALA 42 HA ALA 42 -6.842 18.189 12.945
330 1HB ALA 42 1HB ALA 42 -6.271 15.252 13.406
331 2HB ALA 42 2HB ALA 42 -6.441 15.927 11.785
332 3HB ALA 42 3HB ALA 42 -5.155 16.499 12.849
333 H THR 43 H THR 43 -8.694 15.627 14.553
334 HA THR 43 HA THR 43 -10.769 15.528 12.490
335 HB THR 43 HB THR 43 -10.608 14.489 15.342
336 HG1 THR 43 HG1 THR 43 -9.078 13.765 13.629
337 1HG2 THR 43 1HG2 THR 43 -12.913 14.754 14.126
338 2HG2 THR 43 2HG2 THR 43 -12.365 13.372 13.177
339 3HG2 THR 43 3HG2 THR 43 -12.531 13.231 14.928
340 H CYS 44 H CYS 44 -10.135 17.322 15.411
341 HA CYS 44 HA CYS 44 -12.900 18.287 15.712
342 1HB CYS 44 1HB CYS 44 -11.585 17.950 17.693
343 2HB CYS 44 2HB CYS 44 -10.225 18.849 17.019
344 H LYS 45 H LYS 45 -9.734 19.585 14.692
345 HA LYS 45 HA LYS 45 -10.407 22.270 14.215
346 1HB LYS 45 1HB LYS 45 -8.151 21.406 14.036
347 2HB LYS 45 2HB LYS 45 -8.619 20.325 12.724
348 1HG LYS 45 1HG LYS 45 -9.410 22.680 11.660
349 2HG LYS 45 2HG LYS 45 -8.084 23.250 12.672
350 1HD LYS 45 1HD LYS 45 -6.673 21.392 11.641
351 2HD LYS 45 2HD LYS 45 -7.977 21.173 10.475
352 1HE LYS 45 1HE LYS 45 -7.770 23.614 9.879
353 2HE LYS 45 2HE LYS 45 -6.341 23.694 10.926
354 1HZ LYS 45 1HZ LYS 45 -6.613 21.572 8.887
355 2HZ LYS 45 2HZ LYS 45 -6.010 23.101 8.455
356 3HZ LYS 45 3HZ LYS 45 -5.202 22.165 9.621
357 H MET 46 H MET 46 -10.800 19.467 12.028
358 HA MET 46 HA MET 46 -11.860 20.880 9.793
359 1HB MET 46 1HB MET 46 -12.814 18.591 9.270
360 2HB MET 46 2HB MET 46 -11.094 18.585 9.660
361 1HG MET 46 1HG MET 46 -11.500 17.136 11.332
362 2HG MET 46 2HG MET 46 -12.512 18.350 12.114
363 1HE MET 46 1HE MET 46 -12.518 16.517 8.848
364 2HE MET 46 2HE MET 46 -12.516 15.058 9.835
365 3HE MET 46 3HE MET 46 -13.930 15.452 8.860
366 H ILE 47 H ILE 47 -13.326 19.879 12.822
367 HA ILE 47 HA ILE 47 -16.080 19.942 12.136
368 HB ILE 47 HB ILE 47 -14.715 20.898 14.677
369 1HG1 ILE 47 1HG1 ILE 47 -13.846 18.718 14.170
370 2HG1 ILE 47 2HG1 ILE 47 -15.106 18.484 15.380
371 1HG2 ILE 47 1HG2 ILE 47 -17.206 21.327 14.377
372 2HG2 ILE 47 2HG2 ILE 47 -17.417 19.577 14.325
373 3HG2 ILE 47 3HG2 ILE 47 -16.775 20.346 15.777
374 1HD1 ILE 47 1HD1 ILE 47 -15.491 18.182 12.386
375 2HD1 ILE 47 2HD1 ILE 47 -15.291 16.847 13.520
376 3HD1 ILE 47 3HD1 ILE 47 -16.712 17.886 13.624
377 H LEU 48 H LEU 48 -13.815 22.559 12.920
378 HA LEU 48 HA LEU 48 -15.803 24.667 12.963
379 1HB LEU 48 1HB LEU 48 -12.801 24.682 12.498
380 2HB LEU 48 2HB LEU 48 -13.774 26.091 12.922
381 HG LEU 48 HG LEU 48 -14.288 23.903 14.754
382 1HD1 LEU 48 1HD1 LEU 48 -11.421 24.793 14.358
383 2HD1 LEU 48 2HD1 LEU 48 -11.998 24.050 15.849
384 3HD1 LEU 48 3HD1 LEU 48 -12.048 23.145 14.337
385 1HD2 LEU 48 1HD2 LEU 48 -14.696 26.408 15.006
386 2HD2 LEU 48 2HD2 LEU 48 -13.935 25.619 16.388
387 3HD2 LEU 48 3HD2 LEU 48 -12.961 26.573 15.270
388 H GLU 49 H GLU 49 -13.543 23.411 10.497
389 HA GLU 49 HA GLU 49 -13.885 25.261 8.432
390 1HB GLU 49 1HB GLU 49 -13.817 22.226 8.307
391 2HB GLU 49 2HB GLU 49 -13.450 23.301 6.959
392 1HG GLU 49 1HG GLU 49 -11.643 24.337 8.379
393 2HG GLU 49 2HG GLU 49 -11.943 23.080 9.579
394 H LYS 50 H LYS 50 -16.209 23.002 9.734
395 HA LYS 50 HA LYS 50 -18.128 23.668 7.533
396 1HB LYS 50 1HB LYS 50 -19.242 21.594 8.225
397 2HB LYS 50 2HB LYS 50 -17.529 21.280 7.946
398 1HG LYS 50 1HG LYS 50 -17.088 20.939 10.177
399 2HG LYS 50 2HG LYS 50 -18.317 22.091 10.703
400 1HD LYS 50 1HD LYS 50 -20.086 20.477 10.065
401 2HD LYS 50 2HD LYS 50 -18.844 19.321 9.582
402 1HE LYS 50 1HE LYS 50 -17.926 19.585 11.991
403 2HE LYS 50 2HE LYS 50 -19.495 20.322 12.360
404 1HZ LYS 50 1HZ LYS 50 -19.299 17.780 10.859
405 2HZ LYS 50 2HZ LYS 50 -19.300 17.788 12.558
406 3HZ LYS 50 3HZ LYS 50 -20.631 18.408 11.701
407 H GLU 51 H GLU 51 -17.388 24.263 10.830
408 HA GLU 51 HA GLU 51 -19.893 24.501 12.090
409 1HB GLU 51 1HB GLU 51 -17.875 24.809 13.325
410 2HB GLU 51 2HB GLU 51 -17.314 26.076 12.234
411 1HG GLU 51 1HG GLU 51 -19.257 27.486 12.967
412 2HG GLU 51 2HG GLU 51 -19.657 26.243 14.152
413 H ALA 52 H ALA 52 -18.392 26.565 9.669
414 HA ALA 52 HA ALA 52 -20.300 28.761 9.994
415 1HB ALA 52 1HB ALA 52 -17.812 28.605 9.064
416 2HB ALA 52 2HB ALA 52 -18.642 28.297 7.539
417 3HB ALA 52 3HB ALA 52 -18.938 29.798 8.416
418 H LYS 53 H LYS 53 -21.801 29.380 8.218
419 HA LYS 53 HA LYS 53 -23.257 27.040 7.186
420 1HB LYS 53 1HB LYS 53 -23.682 30.039 6.975
421 2HB LYS 53 2HB LYS 53 -24.859 28.817 6.494
422 1HG LYS 53 1HG LYS 53 -23.699 29.026 9.287
423 2HG LYS 53 2HG LYS 53 -25.233 29.753 8.808
424 1HD LYS 53 1HD LYS 53 -26.071 27.520 8.140
425 2HD LYS 53 2HD LYS 53 -24.543 26.803 8.652
426 1HE LYS 53 1HE LYS 53 -24.936 27.486 10.961
427 2HE LYS 53 2HE LYS 53 -26.397 28.371 10.482
428 1HZ LYS 53 1HZ LYS 53 -25.983 25.488 9.902
429 2HZ LYS 53 2HZ LYS 53 -26.772 26.033 11.305
430 3HZ LYS 53 3HZ LYS 53 -27.427 26.375 9.779
431 H SER 54 H SER 54 -20.744 29.047 6.062
432 HA SER 54 HA SER 54 -21.443 29.153 3.246
433 1HB SER 54 1HB SER 54 -19.086 29.891 3.054
434 2HB SER 54 2HB SER 54 -19.894 30.705 4.393
435 HG SER 54 HG SER 54 -18.284 29.959 5.506
436 H GLN 55 H GLN 55 -20.045 26.736 5.324
437 HA GLN 55 HA GLN 55 -19.683 24.956 2.953
438 1HB GLN 55 1HB GLN 55 -17.694 25.652 5.127
439 2HB GLN 55 2HB GLN 55 -17.520 24.215 4.119
440 1HG GLN 55 1HG GLN 55 -17.529 25.625 2.097
441 2HG GLN 55 2HG GLN 55 -17.728 27.065 3.096
442 2HE2 GLN 55 2HE2 GLN 55 -15.427 26.546 1.342
443 1HE2 GLN 55 1HE2 GLN 55 -14.057 26.450 2.341
No H/Q in entry = 443
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -24.513 11.194 8.736
2 H2 LYS 1 H2 LYS 1 -23.023 11.935 8.411
3 H3 LYS 1 H3 LYS 1 -23.738 10.923 7.249
4 HA LYS 1 HA LYS 1 -23.379 8.986 8.576
5 1HB LYS 1 1HB LYS 1 -21.027 10.900 8.436
6 2HB LYS 1 2HB LYS 1 -20.877 9.158 8.666
7 1HG LYS 1 1HG LYS 1 -22.193 8.865 6.519
8 2HG LYS 1 2HG LYS 1 -22.036 10.604 6.269
9 1HD LYS 1 1HD LYS 1 -19.538 10.327 6.459
10 2HD LYS 1 2HD LYS 1 -19.788 8.581 6.491
11 1HE LYS 1 1HE LYS 1 -20.954 10.263 4.265
12 2HE LYS 1 2HE LYS 1 -19.286 9.663 4.184
13 1HZ LYS 1 1HZ LYS 1 -21.465 7.846 4.985
14 2HZ LYS 1 2HZ LYS 1 -21.227 8.171 3.338
15 3HZ LYS 1 3HZ LYS 1 -19.976 7.477 4.254
16 H ASN 2 H ASN 2 -21.537 11.560 10.251
17 HA ASN 2 HA ASN 2 -22.342 10.307 12.851
18 1HB ASN 2 1HB ASN 2 -19.960 11.930 11.919
19 2HB ASN 2 2HB ASN 2 -20.248 11.557 13.619
20 2HD2 ASN 2 2HD2 ASN 2 -18.806 10.370 10.762
21 1HD2 ASN 2 1HD2 ASN 2 -18.592 8.759 11.254
22 H GLU 3 H GLU 3 -23.108 11.682 14.527
23 HA GLU 3 HA GLU 3 -24.632 13.982 13.758
24 1HB GLU 3 1HB GLU 3 -23.690 12.740 16.340
25 2HB GLU 3 2HB GLU 3 -24.619 14.238 16.356
26 1HG GLU 3 1HG GLU 3 -25.472 11.591 15.145
27 2HG GLU 3 2HG GLU 3 -26.158 12.364 16.574
28 H ASP 4 H ASP 4 -21.313 13.590 14.791
29 HA ASP 4 HA ASP 4 -19.632 15.194 15.289
30 1HB ASP 4 1HB ASP 4 -20.500 15.295 12.752
31 2HB ASP 4 2HB ASP 4 -20.935 16.933 13.240
32 H GLN 5 H GLN 5 -21.674 15.480 17.158
33 HA GLN 5 HA GLN 5 -22.346 18.385 17.232
34 1HB GLN 5 1HB GLN 5 -23.998 16.439 17.572
35 2HB GLN 5 2HB GLN 5 -23.202 16.186 19.124
36 1HG GLN 5 1HG GLN 5 -23.716 18.503 19.779
37 2HG GLN 5 2HG GLN 5 -24.482 18.782 18.215
38 2HE2 GLN 5 2HE2 GLN 5 -25.574 18.619 21.136
39 1HE2 GLN 5 1HE2 GLN 5 -26.895 17.563 20.999
40 H GLU 6 H GLU 6 -20.245 19.200 17.859
41 HA GLU 6 HA GLU 6 -18.589 19.817 19.432
42 1HB GLU 6 1HB GLU 6 -20.686 18.701 21.324
43 2HB GLU 6 2HB GLU 6 -19.411 19.845 21.743
44 1HG GLU 6 1HG GLU 6 -20.362 21.487 20.166
45 2HG GLU 6 2HG GLU 6 -21.631 20.342 19.735
46 H MET 7 H MET 7 -18.193 17.299 18.221
47 HA MET 7 HA MET 7 -17.821 15.106 20.004
48 1HB MET 7 1HB MET 7 -16.355 15.943 17.481
49 2HB MET 7 2HB MET 7 -16.294 14.329 18.188
50 1HG MET 7 1HG MET 7 -18.830 15.722 17.276
51 2HG MET 7 2HG MET 7 -17.969 14.496 16.347
52 1HE MET 7 1HE MET 7 -20.301 15.566 18.616
53 2HE MET 7 2HE MET 7 -21.188 14.143 19.184
54 3HE MET 7 3HE MET 7 -19.864 14.800 20.142
55 H CYS 8 H CYS 8 -15.998 18.039 19.577
56 HA CYS 8 HA CYS 8 -13.888 16.957 21.418
57 1HB CYS 8 1HB CYS 8 -12.357 18.514 20.153
58 2HB CYS 8 2HB CYS 8 -13.017 17.210 19.165
59 H HIS 9 H HIS 9 -13.775 18.105 23.306
60 HA HIS 9 HA HIS 9 -14.944 20.870 23.350
61 1HB HIS 9 1HB HIS 9 -14.713 18.715 25.477
62 2HB HIS 9 2HB HIS 9 -15.391 20.320 25.750
63 HD1 HIS 9 HD1 HIS 9 -17.671 20.872 24.589
64 HD2 HIS 9 HD2 HIS 9 -16.393 16.942 24.041
65 HE1 HIS 9 HE1 HIS 9 -19.657 19.593 23.677
66 H GLU 10 H GLU 10 -12.135 18.919 23.941
67 HA GLU 10 HA GLU 10 -10.784 20.742 25.760
68 1HB GLU 10 1HB GLU 10 -10.029 18.391 24.021
69 2HB GLU 10 2HB GLU 10 -8.807 19.272 24.939
70 1HG GLU 10 1HG GLU 10 -9.970 18.812 27.024
71 2HG GLU 10 2HG GLU 10 -11.311 18.067 26.154
72 H PHE 11 H PHE 11 -10.538 20.090 22.245
73 HA PHE 11 HA PHE 11 -8.503 22.058 21.727
74 1HB PHE 11 1HB PHE 11 -10.627 20.689 20.076
75 2HB PHE 11 2HB PHE 11 -9.422 21.755 19.364
76 HD1 PHE 11 HD1 PHE 11 -6.922 21.258 19.991
77 HD2 PHE 11 HD2 PHE 11 -10.118 18.410 20.360
78 HE1 PHE 11 HE1 PHE 11 -5.274 19.404 19.963
79 HE2 PHE 11 HE2 PHE 11 -8.471 16.560 20.334
80 HZ PHE 11 HZ PHE 11 -6.051 17.058 20.136
81 H GLN 12 H GLN 12 -12.071 22.187 21.687
82 HA GLN 12 HA GLN 12 -12.544 24.643 20.458
83 1HB GLN 12 1HB GLN 12 -14.284 23.173 21.372
84 2HB GLN 12 2HB GLN 12 -13.729 23.504 23.013
85 1HG GLN 12 1HG GLN 12 -14.172 25.978 22.500
86 2HG GLN 12 2HG GLN 12 -15.034 25.418 21.067
87 2HE2 GLN 12 2HE2 GLN 12 -17.231 25.090 21.414
88 1HE2 GLN 12 1HE2 GLN 12 -17.940 24.706 22.907
89 H ALA 13 H ALA 13 -11.632 24.106 23.876
90 HA ALA 13 HA ALA 13 -11.516 26.808 24.708
91 1HB ALA 13 1HB ALA 13 -9.746 25.802 26.303
92 2HB ALA 13 2HB ALA 13 -10.010 24.288 25.436
93 3HB ALA 13 3HB ALA 13 -11.341 25.049 26.307
94 H PHE 14 H PHE 14 -9.468 25.031 22.531
95 HA PHE 14 HA PHE 14 -7.204 26.913 22.795
96 1HB PHE 14 1HB PHE 14 -7.769 24.604 20.907
97 2HB PHE 14 2HB PHE 14 -6.215 25.403 21.116
98 HD1 PHE 14 HD1 PHE 14 -7.139 25.708 24.279
99 HD2 PHE 14 HD2 PHE 14 -6.420 22.505 21.506
100 HE1 PHE 14 HE1 PHE 14 -6.611 24.189 26.167
101 HE2 PHE 14 HE2 PHE 14 -5.894 20.988 23.393
102 HZ PHE 14 HZ PHE 14 -5.988 21.830 25.725
103 H MET 15 H MET 15 -10.120 27.411 21.533
104 HA MET 15 HA MET 15 -9.297 28.334 18.846
105 1HB MET 15 1HB MET 15 -11.682 28.624 18.542
106 2HB MET 15 2HB MET 15 -11.429 27.088 19.361
107 1HG MET 15 1HG MET 15 -11.705 28.523 21.545
108 2HG MET 15 2HG MET 15 -12.496 29.670 20.465
109 1HE MET 15 1HE MET 15 -13.668 28.204 18.332
110 2HE MET 15 2HE MET 15 -15.235 27.536 18.781
111 3HE MET 15 3HE MET 15 -14.828 29.206 19.201
112 H LYS 16 H LYS 16 -8.119 30.242 19.030
113 HA LYS 16 HA LYS 16 -8.913 32.326 20.960
114 1HB LYS 16 1HB LYS 16 -6.558 31.800 20.551
115 2HB LYS 16 2HB LYS 16 -6.762 32.120 18.828
116 1HG LYS 16 1HG LYS 16 -7.728 34.433 20.000
117 2HG LYS 16 2HG LYS 16 -6.374 34.004 21.045
118 1HD LYS 16 1HD LYS 16 -6.157 34.069 18.026
119 2HD LYS 16 2HD LYS 16 -5.788 35.465 19.040
120 1HE LYS 16 1HE LYS 16 -4.134 34.032 20.296
121 2HE LYS 16 2HE LYS 16 -4.421 32.752 19.102
122 1HZ LYS 16 1HZ LYS 16 -4.065 34.738 17.450
123 2HZ LYS 16 2HZ LYS 16 -3.188 35.397 18.744
124 3HZ LYS 16 3HZ LYS 16 -2.731 33.899 18.085
125 H ASN 17 H ASN 17 -10.979 33.010 20.129
126 HA ASN 17 HA ASN 17 -12.395 34.327 18.774
127 1HB ASN 17 1HB ASN 17 -9.692 35.301 17.793
128 2HB ASN 17 2HB ASN 17 -11.221 36.166 17.633
129 2HD2 ASN 17 2HD2 ASN 17 -8.516 36.381 19.388
130 1HD2 ASN 17 1HD2 ASN 17 -9.137 36.854 20.895
131 H GLY 18 H GLY 18 -12.179 31.790 17.801
132 1HA GLY 18 1HA GLY 18 -12.420 32.219 14.906
133 2HA GLY 18 2HA GLY 18 -12.797 30.727 15.768
134 H LYS 19 H LYS 19 -9.811 31.763 16.822
135 HA LYS 19 HA LYS 19 -8.309 30.425 14.619
136 1HB LYS 19 1HB LYS 19 -7.829 32.756 15.702
137 2HB LYS 19 2HB LYS 19 -7.144 31.814 17.026
138 1HG LYS 19 1HG LYS 19 -6.344 31.346 14.149
139 2HG LYS 19 2HG LYS 19 -5.520 32.528 15.167
140 1HD LYS 19 1HD LYS 19 -5.042 30.740 16.823
141 2HD LYS 19 2HD LYS 19 -5.820 29.566 15.761
142 1HE LYS 19 1HE LYS 19 -3.693 31.252 14.524
143 2HE LYS 19 2HE LYS 19 -3.161 30.015 15.679
144 1HZ LYS 19 1HZ LYS 19 -4.826 28.524 14.446
145 2HZ LYS 19 2HZ LYS 19 -4.749 29.681 13.205
146 3HZ LYS 19 3HZ LYS 19 -3.348 28.849 13.682
147 H LEU 20 H LEU 20 -8.433 28.206 15.031
148 HA LEU 20 HA LEU 20 -8.104 27.182 17.787
149 1HB LEU 20 1HB LEU 20 -9.692 26.381 15.874
150 2HB LEU 20 2HB LEU 20 -8.258 25.575 15.239
151 HG LEU 20 HG LEU 20 -9.560 25.157 17.942
152 1HD1 LEU 20 1HD1 LEU 20 -9.657 23.831 15.373
153 2HD1 LEU 20 2HD1 LEU 20 -8.993 22.743 16.591
154 3HD1 LEU 20 3HD1 LEU 20 -10.577 23.477 16.836
155 1HD2 LEU 20 1HD2 LEU 20 -6.895 24.180 16.881
156 2HD2 LEU 20 2HD2 LEU 20 -7.165 25.183 18.305
157 3HD2 LEU 20 3HD2 LEU 20 -7.695 23.501 18.297
158 H PHE 21 H PHE 21 -5.936 27.350 18.418
159 HA PHE 21 HA PHE 21 -3.797 26.688 16.487
160 1HB PHE 21 1HB PHE 21 -2.388 27.171 18.626
161 2HB PHE 21 2HB PHE 21 -3.251 28.509 17.876
162 HD1 PHE 21 HD1 PHE 21 -3.290 26.096 20.695
163 HD2 PHE 21 HD2 PHE 21 -5.077 29.605 18.979
164 HE1 PHE 21 HE1 PHE 21 -4.494 26.520 22.817
165 HE2 PHE 21 HE2 PHE 21 -6.278 30.032 21.106
166 HZ PHE 21 HZ PHE 21 -5.987 28.490 23.025
167 H CYS 22 H CYS 22 -4.856 24.428 16.383
168 HA CYS 22 HA CYS 22 -4.916 22.494 18.359
169 1HB CYS 22 1HB CYS 22 -5.014 22.624 15.594
170 2HB CYS 22 2HB CYS 22 -3.623 21.579 15.891
171 HA PRO 23 HA PRO 23 -0.192 21.565 17.649
172 1HB PRO 23 1HB PRO 23 1.011 24.066 16.887
173 2HB PRO 23 2HB PRO 23 0.988 22.545 15.989
174 1HG PRO 23 1HG PRO 23 -0.472 24.953 15.421
175 2HG PRO 23 2HG PRO 23 -0.495 23.434 14.524
176 1HD PRO 23 1HD PRO 23 -2.567 24.540 16.182
177 2HD PRO 23 2HD PRO 23 -2.596 22.999 15.297
178 H GLN 24 H GLN 24 -0.960 21.780 19.961
179 HA GLN 24 HA GLN 24 0.115 24.198 21.357
180 1HB GLN 24 1HB GLN 24 -2.208 23.733 21.791
181 2HB GLN 24 2HB GLN 24 -1.878 22.021 22.047
182 1HG GLN 24 1HG GLN 24 -0.286 22.934 23.955
183 2HG GLN 24 2HG GLN 24 -1.332 24.347 23.859
184 2HE2 GLN 24 2HE2 GLN 24 -1.032 21.308 25.309
185 1HE2 GLN 24 1HE2 GLN 24 -2.648 21.095 25.784
186 H ASP 25 H ASP 25 -0.393 21.070 22.853
187 HA ASP 25 HA ASP 25 2.573 20.708 23.107
188 1HB ASP 25 1HB ASP 25 1.313 21.746 25.096
189 2HB ASP 25 2HB ASP 25 0.532 20.177 25.278
190 H LYS 26 H LYS 26 1.847 19.218 21.199
191 HA LYS 26 HA LYS 26 0.206 16.948 21.499
192 1HB LYS 26 1HB LYS 26 2.570 17.757 19.868
193 2HB LYS 26 2HB LYS 26 2.096 16.058 19.818
194 1HG LYS 26 1HG LYS 26 -0.146 16.640 19.114
195 2HG LYS 26 2HG LYS 26 0.173 18.358 19.356
196 1HD LYS 26 1HD LYS 26 2.207 17.701 17.662
197 2HD LYS 26 2HD LYS 26 0.953 16.588 17.114
198 1HE LYS 26 1HE LYS 26 -0.625 18.492 16.878
199 2HE LYS 26 2HE LYS 26 0.657 19.603 17.398
200 1HZ LYS 26 1HZ LYS 26 1.156 17.666 15.229
201 2HZ LYS 26 2HZ LYS 26 0.352 19.121 14.881
202 3HZ LYS 26 3HZ LYS 26 1.919 19.155 15.528
203 H LYS 27 H LYS 27 3.190 17.622 23.096
204 HA LYS 27 HA LYS 27 4.528 15.247 23.457
205 1HB LYS 27 1HB LYS 27 3.640 17.363 25.431
206 2HB LYS 27 2HB LYS 27 4.785 16.096 25.862
207 1HG LYS 27 1HG LYS 27 5.194 17.850 23.438
208 2HG LYS 27 2HG LYS 27 5.781 18.318 25.033
209 1HD LYS 27 1HD LYS 27 7.076 16.225 25.180
210 2HD LYS 27 2HD LYS 27 6.476 15.739 23.594
211 1HE LYS 27 1HE LYS 27 8.616 16.705 23.153
212 2HE LYS 27 2HE LYS 27 7.469 18.000 22.761
213 1HZ LYS 27 1HZ LYS 27 8.431 17.679 25.528
214 2HZ LYS 27 2HZ LYS 27 9.419 18.469 24.400
215 3HZ LYS 27 3HZ LYS 27 7.872 19.079 24.745
216 H PHE 28 H PHE 28 1.266 15.981 24.554
217 HA PHE 28 HA PHE 28 0.859 14.020 26.535
218 1HB PHE 28 1HB PHE 28 -0.999 14.937 24.314
219 2HB PHE 28 2HB PHE 28 -1.501 14.225 25.845
220 HD1 PHE 28 HD1 PHE 28 0.019 15.457 27.896
221 HD2 PHE 28 HD2 PHE 28 -1.433 17.226 24.262
222 HE1 PHE 28 HE1 PHE 28 0.083 17.697 28.959
223 HE2 PHE 28 HE2 PHE 28 -1.369 19.466 25.323
224 HZ PHE 28 HZ PHE 28 -0.611 19.701 27.672
225 H PHE 29 H PHE 29 1.475 13.620 23.150
226 HA PHE 29 HA PHE 29 0.190 11.246 22.436
227 1HB PHE 29 1HB PHE 29 1.730 12.717 21.080
228 2HB PHE 29 2HB PHE 29 3.091 11.965 21.913
229 HD1 PHE 29 HD1 PHE 29 3.278 9.393 21.817
230 HD2 PHE 29 HD2 PHE 29 0.772 11.687 19.190
231 HE1 PHE 29 HE1 PHE 29 3.202 7.490 20.228
232 HE2 PHE 29 HE2 PHE 29 0.696 9.784 17.600
233 HZ PHE 29 HZ PHE 29 1.912 7.686 18.119
234 H GLN 30 H GLN 30 2.669 11.698 24.837
235 HA GLN 30 HA GLN 30 3.696 9.002 24.909
236 1HB GLN 30 1HB GLN 30 3.608 11.364 26.790
237 2HB GLN 30 2HB GLN 30 4.393 9.852 27.247
238 1HG GLN 30 1HG GLN 30 5.585 10.107 24.912
239 2HG GLN 30 2HG GLN 30 5.147 11.805 25.095
240 2HE2 GLN 30 2HE2 GLN 30 6.811 12.976 26.046
241 1HE2 GLN 30 1HE2 GLN 30 7.871 12.385 27.233
242 H SER 31 H SER 31 0.615 10.117 25.613
243 HA SER 31 HA SER 31 0.129 7.785 27.426
244 1HB SER 31 1HB SER 31 -0.826 10.651 27.701
245 2HB SER 31 2HB SER 31 -1.416 9.317 28.692
246 HG SER 31 HG SER 31 1.301 10.086 28.453
247 H LEU 32 H LEU 32 -1.945 6.817 27.145
248 HA LEU 32 HA LEU 32 -3.112 6.780 24.594
249 1HB LEU 32 1HB LEU 32 -3.376 5.313 26.761
250 2HB LEU 32 2HB LEU 32 -4.736 6.387 27.090
251 HG LEU 32 HG LEU 32 -5.396 4.321 25.832
252 1HD1 LEU 32 1HD1 LEU 32 -6.291 6.864 25.526
253 2HD1 LEU 32 2HD1 LEU 32 -5.813 6.506 23.866
254 3HD1 LEU 32 3HD1 LEU 32 -6.997 5.484 24.683
255 1HD2 LEU 32 1HD2 LEU 32 -3.084 4.629 24.475
256 2HD2 LEU 32 2HD2 LEU 32 -4.462 3.748 23.815
257 3HD2 LEU 32 3HD2 LEU 32 -4.184 5.426 23.351
258 H ASP 33 H ASP 33 -4.164 8.643 27.449
259 HA ASP 33 HA ASP 33 -6.421 9.915 26.299
260 1HB ASP 33 1HB ASP 33 -4.388 10.709 28.400
261 2HB ASP 33 2HB ASP 33 -5.810 11.693 28.055
262 H GLY 34 H GLY 34 -2.984 10.825 26.284
263 1HA GLY 34 1HA GLY 34 -1.843 12.435 24.999
264 2HA GLY 34 2HA GLY 34 -3.379 13.281 24.819
265 H ILE 35 H ILE 35 -2.457 9.977 23.888
266 HA ILE 35 HA ILE 35 -2.132 10.378 21.107
267 HB ILE 35 HB ILE 35 -2.996 8.121 22.901
268 1HG1 ILE 35 1HG1 ILE 35 -0.601 8.870 22.659
269 2HG1 ILE 35 2HG1 ILE 35 -0.872 7.183 22.217
270 1HG2 ILE 35 1HG2 ILE 35 -3.383 8.303 19.969
271 2HG2 ILE 35 2HG2 ILE 35 -2.578 6.840 20.533
272 3HG2 ILE 35 3HG2 ILE 35 -4.178 7.258 21.145
273 1HD1 ILE 35 1HD1 ILE 35 -1.191 9.171 20.032
274 2HD1 ILE 35 2HD1 ILE 35 0.454 8.931 20.626
275 3HD1 ILE 35 3HD1 ILE 35 -0.464 7.564 19.994
276 H MET 36 H MET 36 -5.058 9.925 23.057
277 HA MET 36 HA MET 36 -6.893 9.725 20.829
278 1HB MET 36 1HB MET 36 -6.922 9.986 23.756
279 2HB MET 36 2HB MET 36 -8.288 10.778 22.966
280 1HG MET 36 1HG MET 36 -8.646 8.636 21.659
281 2HG MET 36 2HG MET 36 -7.439 7.880 22.697
282 1HE MET 36 1HE MET 36 -9.823 6.784 22.154
283 2HE MET 36 2HE MET 36 -10.586 6.284 23.661
284 3HE MET 36 3HE MET 36 -11.333 7.543 22.680
285 H PHE 37 H PHE 37 -6.528 12.435 23.162
286 HA PHE 37 HA PHE 37 -7.925 14.378 21.721
287 1HB PHE 37 1HB PHE 37 -7.265 15.495 23.573
288 2HB PHE 37 2HB PHE 37 -6.146 14.187 23.949
289 HD1 PHE 37 HD1 PHE 37 -3.781 14.333 23.328
290 HD2 PHE 37 HD2 PHE 37 -6.512 17.524 22.448
291 HE1 PHE 37 HE1 PHE 37 -1.870 15.835 22.852
292 HE2 PHE 37 HE2 PHE 37 -4.599 19.029 21.973
293 HZ PHE 37 HZ PHE 37 -2.278 18.180 22.171
294 H ILE 38 H ILE 38 -4.407 13.675 21.495
295 HA ILE 38 HA ILE 38 -3.679 15.484 19.491
296 HB ILE 38 HB ILE 38 -2.892 12.621 20.078
297 1HG1 ILE 38 1HG1 ILE 38 -1.692 15.345 20.634
298 2HG1 ILE 38 2HG1 ILE 38 -2.266 14.165 21.811
299 1HG2 ILE 38 1HG2 ILE 38 -2.430 13.094 17.697
300 2HG2 ILE 38 2HG2 ILE 38 -1.573 14.565 18.157
301 3HG2 ILE 38 3HG2 ILE 38 -0.932 12.989 18.622
302 1HD1 ILE 38 1HD1 ILE 38 -0.334 12.888 20.127
303 2HD1 ILE 38 2HD1 ILE 38 0.351 14.406 20.707
304 3HD1 ILE 38 3HD1 ILE 38 -0.235 13.204 21.858
305 H ASN 39 H ASN 39 -5.362 12.379 19.186
306 HA ASN 39 HA ASN 39 -5.414 12.387 16.277
307 1HB ASN 39 1HB ASN 39 -7.009 10.956 18.427
308 2HB ASN 39 2HB ASN 39 -7.123 10.577 16.711
309 2HD2 ASN 39 2HD2 ASN 39 -3.933 11.523 17.287
310 1HD2 ASN 39 1HD2 ASN 39 -3.255 9.990 17.539
311 H LYS 40 H LYS 40 -7.467 13.624 18.855
312 HA LYS 40 HA LYS 40 -9.733 14.264 17.124
313 1HB LYS 40 1HB LYS 40 -8.844 14.774 19.950
314 2HB LYS 40 2HB LYS 40 -10.202 15.694 19.301
315 1HG LYS 40 1HG LYS 40 -11.519 13.778 19.006
316 2HG LYS 40 2HG LYS 40 -10.123 12.701 18.996
317 1HD LYS 40 1HD LYS 40 -9.850 13.739 21.470
318 2HD LYS 40 2HD LYS 40 -11.601 13.871 21.300
319 1HE LYS 40 1HE LYS 40 -11.360 11.368 20.410
320 2HE LYS 40 2HE LYS 40 -9.887 11.414 21.399
321 1HZ LYS 40 1HZ LYS 40 -11.336 12.463 23.167
322 2HZ LYS 40 2HZ LYS 40 -12.676 11.993 22.238
323 3HZ LYS 40 3HZ LYS 40 -11.623 10.816 22.865
324 H CYS 41 H CYS 41 -6.834 15.887 18.287
325 HA CYS 41 HA CYS 41 -7.246 18.583 17.917
326 1HB CYS 41 1HB CYS 41 -5.094 17.791 18.511
327 2HB CYS 41 2HB CYS 41 -5.014 16.708 17.130
328 H ALA 42 H ALA 42 -5.862 16.719 15.231
329 HA ALA 42 HA ALA 42 -6.514 18.531 13.169
330 1HB ALA 42 1HB ALA 42 -6.450 15.516 12.911
331 2HB ALA 42 2HB ALA 42 -5.928 16.711 11.725
332 3HB ALA 42 3HB ALA 42 -4.994 16.467 13.200
333 H THR 43 H THR 43 -8.484 15.987 14.635
334 HA THR 43 HA THR 43 -10.587 15.997 12.660
335 HB THR 43 HB THR 43 -10.703 15.324 15.616
336 HG1 THR 43 HG1 THR 43 -9.994 13.659 13.436
337 1HG2 THR 43 1HG2 THR 43 -12.795 15.419 14.024
338 2HG2 THR 43 2HG2 THR 43 -12.151 13.894 13.412
339 3HG2 THR 43 3HG2 THR 43 -12.585 14.048 15.114
340 H CYS 44 H CYS 44 -10.539 17.381 15.972
341 HA CYS 44 HA CYS 44 -12.934 18.818 15.902
342 1HB CYS 44 1HB CYS 44 -11.188 18.476 17.758
343 2HB CYS 44 2HB CYS 44 -10.345 19.864 17.069
344 H LYS 45 H LYS 45 -9.780 19.738 14.550
345 HA LYS 45 HA LYS 45 -10.320 22.436 13.881
346 1HB LYS 45 1HB LYS 45 -8.118 21.409 13.762
347 2HB LYS 45 2HB LYS 45 -8.672 20.282 12.524
348 1HG LYS 45 1HG LYS 45 -9.337 22.581 11.306
349 2HG LYS 45 2HG LYS 45 -8.001 23.177 12.292
350 1HD LYS 45 1HD LYS 45 -6.578 21.326 11.397
351 2HD LYS 45 2HD LYS 45 -7.908 20.860 10.336
352 1HE LYS 45 1HE LYS 45 -7.809 22.967 9.159
353 2HE LYS 45 2HE LYS 45 -6.682 23.641 10.352
354 1HZ LYS 45 1HZ LYS 45 -5.371 21.454 9.737
355 2HZ LYS 45 2HZ LYS 45 -6.216 21.623 8.272
356 3HZ LYS 45 3HZ LYS 45 -5.195 22.867 8.816
357 H MET 46 H MET 46 -10.863 19.480 11.921
358 HA MET 46 HA MET 46 -11.980 20.863 9.661
359 1HB MET 46 1HB MET 46 -12.558 18.630 8.942
360 2HB MET 46 2HB MET 46 -11.015 18.527 9.785
361 1HG MET 46 1HG MET 46 -11.884 17.107 11.296
362 2HG MET 46 2HG MET 46 -13.176 18.242 11.672
363 1HE MET 46 1HE MET 46 -11.878 15.348 10.338
364 2HE MET 46 2HE MET 46 -13.238 14.353 9.825
365 3HE MET 46 3HE MET 46 -12.387 15.344 8.644
366 H ILE 47 H ILE 47 -13.319 19.840 12.724
367 HA ILE 47 HA ILE 47 -16.098 19.767 12.031
368 HB ILE 47 HB ILE 47 -14.718 20.595 14.608
369 1HG1 ILE 47 1HG1 ILE 47 -13.856 18.455 14.023
370 2HG1 ILE 47 2HG1 ILE 47 -15.162 18.127 15.162
371 1HG2 ILE 47 1HG2 ILE 47 -17.527 20.005 13.838
372 2HG2 ILE 47 2HG2 ILE 47 -16.970 19.298 15.356
373 3HG2 ILE 47 3HG2 ILE 47 -16.905 21.045 15.121
374 1HD1 ILE 47 1HD1 ILE 47 -15.412 18.033 12.138
375 2HD1 ILE 47 2HD1 ILE 47 -15.274 16.627 13.192
376 3HD1 ILE 47 3HD1 ILE 47 -16.694 17.667 13.292
377 H LEU 48 H LEU 48 -13.918 22.400 12.962
378 HA LEU 48 HA LEU 48 -15.927 24.455 13.175
379 1HB LEU 48 1HB LEU 48 -12.965 24.549 12.512
380 2HB LEU 48 2HB LEU 48 -13.931 25.919 13.066
381 HG LEU 48 HG LEU 48 -14.344 23.694 14.839
382 1HD1 LEU 48 1HD1 LEU 48 -12.115 22.957 14.008
383 2HD1 LEU 48 2HD1 LEU 48 -11.448 24.523 14.474
384 3HD1 LEU 48 3HD1 LEU 48 -12.071 23.427 15.709
385 1HD2 LEU 48 1HD2 LEU 48 -14.518 26.261 15.139
386 2HD2 LEU 48 2HD2 LEU 48 -13.875 25.319 16.486
387 3HD2 LEU 48 3HD2 LEU 48 -12.778 26.203 15.424
388 H GLU 49 H GLU 49 -13.930 23.222 10.501
389 HA GLU 49 HA GLU 49 -14.318 25.137 8.516
390 1HB GLU 49 1HB GLU 49 -14.521 22.109 8.354
391 2HB GLU 49 2HB GLU 49 -14.247 23.167 6.970
392 1HG GLU 49 1HG GLU 49 -12.189 24.032 8.089
393 2HG GLU 49 2HG GLU 49 -12.443 22.869 9.390
394 H LYS 50 H LYS 50 -16.675 23.015 9.987
395 HA LYS 50 HA LYS 50 -18.746 23.404 7.963
396 1HB LYS 50 1HB LYS 50 -18.936 22.468 10.846
397 2HB LYS 50 2HB LYS 50 -20.080 22.126 9.548
398 1HG LYS 50 1HG LYS 50 -17.229 21.353 9.102
399 2HG LYS 50 2HG LYS 50 -18.165 20.380 10.237
400 1HD LYS 50 1HD LYS 50 -19.979 20.380 8.355
401 2HD LYS 50 2HD LYS 50 -18.643 20.839 7.299
402 1HE LYS 50 1HE LYS 50 -17.401 18.831 7.914
403 2HE LYS 50 2HE LYS 50 -18.632 18.401 9.117
404 1HZ LYS 50 1HZ LYS 50 -19.590 18.996 6.432
405 2HZ LYS 50 2HZ LYS 50 -18.713 17.551 6.595
406 3HZ LYS 50 3HZ LYS 50 -20.110 17.809 7.526
407 H GLU 51 H GLU 51 -17.786 24.942 11.003
408 HA GLU 51 HA GLU 51 -20.150 26.425 11.557
409 1HB GLU 51 1HB GLU 51 -17.205 27.019 11.976
410 2HB GLU 51 2HB GLU 51 -18.511 27.912 12.754
411 1HG GLU 51 1HG GLU 51 -18.073 24.919 12.993
412 2HG GLU 51 2HG GLU 51 -17.609 26.106 14.213
413 H ALA 52 H ALA 52 -17.663 26.880 9.130
414 HA ALA 52 HA ALA 52 -18.354 29.665 8.552
415 1HB ALA 52 1HB ALA 52 -16.191 28.076 8.164
416 2HB ALA 52 2HB ALA 52 -16.492 29.530 7.212
417 3HB ALA 52 3HB ALA 52 -16.945 27.950 6.575
418 H LYS 53 H LYS 53 -19.443 26.511 7.517
419 HA LYS 53 HA LYS 53 -20.637 27.356 5.006
420 1HB LYS 53 1HB LYS 53 -20.909 24.975 6.855
421 2HB LYS 53 2HB LYS 53 -21.800 25.093 5.337
422 1HG LYS 53 1HG LYS 53 -18.807 25.472 5.429
423 2HG LYS 53 2HG LYS 53 -19.521 23.866 5.294
424 1HD LYS 53 1HD LYS 53 -20.805 24.668 3.294
425 2HD LYS 53 2HD LYS 53 -19.930 26.195 3.394
426 1HE LYS 53 1HE LYS 53 -17.781 24.955 3.148
427 2HE LYS 53 2HE LYS 53 -18.697 23.446 2.971
428 1HZ LYS 53 1HZ LYS 53 -19.090 25.876 1.298
429 2HZ LYS 53 2HZ LYS 53 -18.187 24.519 0.816
430 3HZ LYS 53 3HZ LYS 53 -19.857 24.376 1.094
431 H SER 54 H SER 54 -21.743 27.118 8.361
432 HA SER 54 HA SER 54 -24.558 27.539 7.752
433 1HB SER 54 1HB SER 54 -23.711 26.393 9.770
434 2HB SER 54 2HB SER 54 -22.919 27.882 10.287
435 HG SER 54 HG SER 54 -24.774 28.124 11.276
436 H GLN 55 H GLN 55 -21.825 29.598 7.846
437 HA GLN 55 HA GLN 55 -23.625 31.992 7.874
438 1HB GLN 55 1HB GLN 55 -21.044 31.483 9.377
439 2HB GLN 55 2HB GLN 55 -21.733 33.095 9.183
440 1HG GLN 55 1HG GLN 55 -23.092 30.714 10.485
441 2HG GLN 55 2HG GLN 55 -22.460 32.135 11.318
442 2HE2 GLN 55 2HE2 GLN 55 -25.259 31.349 11.405
443 1HE2 GLN 55 1HE2 GLN 55 -26.157 32.570 10.638
No H/Q in entry = 443
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -19.091 13.244 31.253
2 H2 LYS 1 H2 LYS 1 -20.589 13.743 31.873
3 H3 LYS 1 H3 LYS 1 -19.912 12.269 32.378
4 HA LYS 1 HA LYS 1 -20.563 11.154 30.527
5 1HB LYS 1 1HB LYS 1 -22.342 13.610 30.671
6 2HB LYS 1 2HB LYS 1 -22.773 12.117 29.836
7 1HG LYS 1 1HG LYS 1 -22.553 10.868 31.955
8 2HG LYS 1 2HG LYS 1 -22.117 12.360 32.790
9 1HD LYS 1 1HD LYS 1 -24.307 13.335 32.177
10 2HD LYS 1 2HD LYS 1 -24.742 11.834 31.360
11 1HE LYS 1 1HE LYS 1 -24.373 10.637 33.573
12 2HE LYS 1 2HE LYS 1 -24.240 12.239 34.326
13 1HZ LYS 1 1HZ LYS 1 -26.509 11.327 32.628
14 2HZ LYS 1 2HZ LYS 1 -26.542 11.404 34.325
15 3HZ LYS 1 3HZ LYS 1 -26.386 12.826 33.409
16 H ASN 2 H ASN 2 -21.418 11.517 28.105
17 HA ASN 2 HA ASN 2 -19.308 13.109 26.742
18 1HB ASN 2 1HB ASN 2 -21.303 11.018 25.810
19 2HB ASN 2 2HB ASN 2 -20.050 11.731 24.794
20 2HD2 ASN 2 2HD2 ASN 2 -20.557 8.906 26.199
21 1HD2 ASN 2 1HD2 ASN 2 -19.014 8.531 26.798
22 H GLU 3 H GLU 3 -19.824 14.810 25.330
23 HA GLU 3 HA GLU 3 -22.140 16.368 25.737
24 1HB GLU 3 1HB GLU 3 -21.404 17.331 23.457
25 2HB GLU 3 2HB GLU 3 -20.201 17.328 24.746
26 1HG GLU 3 1HG GLU 3 -20.177 14.813 23.291
27 2HG GLU 3 2HG GLU 3 -19.928 16.177 22.202
28 H ASP 4 H ASP 4 -21.614 13.631 23.598
29 HA ASP 4 HA ASP 4 -23.111 12.462 22.187
30 1HB ASP 4 1HB ASP 4 -24.773 13.816 24.291
31 2HB ASP 4 2HB ASP 4 -25.583 12.946 22.988
32 H GLN 5 H GLN 5 -22.181 15.133 21.339
33 HA GLN 5 HA GLN 5 -23.949 15.563 19.107
34 1HB GLN 5 1HB GLN 5 -24.950 17.674 19.838
35 2HB GLN 5 2HB GLN 5 -25.328 16.415 21.014
36 1HG GLN 5 1HG GLN 5 -23.534 17.181 22.475
37 2HG GLN 5 2HG GLN 5 -23.013 18.359 21.271
38 2HE2 GLN 5 2HE2 GLN 5 -23.772 20.426 21.719
39 1HE2 GLN 5 1HE2 GLN 5 -25.235 20.783 22.504
40 H GLU 6 H GLU 6 -21.481 16.866 21.271
41 HA GLU 6 HA GLU 6 -20.263 18.307 18.938
42 1HB GLU 6 1HB GLU 6 -20.487 18.825 21.887
43 2HB GLU 6 2HB GLU 6 -19.118 19.502 21.005
44 1HG GLU 6 1HG GLU 6 -20.750 20.491 19.366
45 2HG GLU 6 2HG GLU 6 -22.060 19.938 20.410
46 H MET 7 H MET 7 -19.042 16.431 18.240
47 HA MET 7 HA MET 7 -17.534 14.612 19.661
48 1HB MET 7 1HB MET 7 -16.834 16.203 17.175
49 2HB MET 7 2HB MET 7 -15.959 14.759 17.686
50 1HG MET 7 1HG MET 7 -18.917 14.915 17.027
51 2HG MET 7 2HG MET 7 -17.671 14.159 16.034
52 1HE MET 7 1HE MET 7 -19.825 14.390 18.760
53 2HE MET 7 2HE MET 7 -20.307 12.710 19.036
54 3HE MET 7 3HE MET 7 -19.119 13.474 20.090
55 H CYS 8 H CYS 8 -16.420 17.898 18.756
56 HA CYS 8 HA CYS 8 -13.968 17.655 20.329
57 1HB CYS 8 1HB CYS 8 -14.131 18.982 18.267
58 2HB CYS 8 2HB CYS 8 -15.382 19.989 18.996
59 H HIS 9 H HIS 9 -13.543 18.707 22.328
60 HA HIS 9 HA HIS 9 -15.602 20.336 23.643
61 1HB HIS 9 1HB HIS 9 -16.537 18.131 23.964
62 2HB HIS 9 2HB HIS 9 -14.974 17.487 24.466
63 HD1 HIS 9 HD1 HIS 9 -17.794 19.686 25.655
64 HD2 HIS 9 HD2 HIS 9 -14.263 18.049 27.151
65 HE1 HIS 9 HE1 HIS 9 -17.826 20.076 28.157
66 H GLU 10 H GLU 10 -12.585 18.473 23.929
67 HA GLU 10 HA GLU 10 -11.672 20.056 26.239
68 1HB GLU 10 1HB GLU 10 -9.816 18.525 26.180
69 2HB GLU 10 2HB GLU 10 -11.254 17.584 25.784
70 1HG GLU 10 1HG GLU 10 -10.744 17.813 23.380
71 2HG GLU 10 2HG GLU 10 -9.310 18.762 23.773
72 H PHE 11 H PHE 11 -11.302 20.070 22.751
73 HA PHE 11 HA PHE 11 -8.947 21.829 22.775
74 1HB PHE 11 1HB PHE 11 -10.854 20.759 20.685
75 2HB PHE 11 2HB PHE 11 -9.523 21.839 20.282
76 HD1 PHE 11 HD1 PHE 11 -7.194 21.118 20.505
77 HD2 PHE 11 HD2 PHE 11 -10.440 18.469 21.449
78 HE1 PHE 11 HE1 PHE 11 -5.630 19.197 20.493
79 HE2 PHE 11 HE2 PHE 11 -8.876 16.548 21.431
80 HZ PHE 11 HZ PHE 11 -6.472 16.916 20.955
81 H GLN 12 H GLN 12 -12.393 22.193 22.902
82 HA GLN 12 HA GLN 12 -12.976 24.573 21.610
83 1HB GLN 12 1HB GLN 12 -14.451 23.107 23.058
84 2HB GLN 12 2HB GLN 12 -13.748 23.903 24.467
85 1HG GLN 12 1HG GLN 12 -14.723 25.967 23.948
86 2HG GLN 12 2HG GLN 12 -14.914 25.559 22.243
87 2HE2 GLN 12 2HE2 GLN 12 -17.171 25.619 21.951
88 1HE2 GLN 12 1HE2 GLN 12 -18.279 24.740 22.891
89 H ALA 13 H ALA 13 -11.430 24.251 24.820
90 HA ALA 13 HA ALA 13 -11.143 27.028 25.382
91 1HB ALA 13 1HB ALA 13 -10.003 26.209 27.201
92 2HB ALA 13 2HB ALA 13 -8.999 25.145 26.215
93 3HB ALA 13 3HB ALA 13 -10.645 24.666 26.634
94 H PHE 14 H PHE 14 -9.480 24.974 23.122
95 HA PHE 14 HA PHE 14 -7.130 26.745 22.905
96 1HB PHE 14 1HB PHE 14 -8.061 24.323 21.330
97 2HB PHE 14 2HB PHE 14 -6.455 25.044 21.252
98 HD1 PHE 14 HD1 PHE 14 -6.687 25.722 24.402
99 HD2 PHE 14 HD2 PHE 14 -6.974 22.170 22.008
100 HE1 PHE 14 HE1 PHE 14 -5.983 24.353 26.346
101 HE2 PHE 14 HE2 PHE 14 -6.271 20.801 23.948
102 HZ PHE 14 HZ PHE 14 -5.774 21.893 26.120
103 H MET 15 H MET 15 -10.134 27.369 22.057
104 HA MET 15 HA MET 15 -9.810 27.924 19.187
105 1HB MET 15 1HB MET 15 -11.957 28.456 21.257
106 2HB MET 15 2HB MET 15 -12.128 28.859 19.548
107 1HG MET 15 1HG MET 15 -11.662 26.471 18.989
108 2HG MET 15 2HG MET 15 -11.635 26.108 20.710
109 1HE MET 15 1HE MET 15 -13.671 27.316 22.233
110 2HE MET 15 2HE MET 15 -13.817 28.690 21.139
111 3HE MET 15 3HE MET 15 -15.244 27.738 21.543
112 H LYS 16 H LYS 16 -9.031 29.813 18.406
113 HA LYS 16 HA LYS 16 -8.760 32.133 20.287
114 1HB LYS 16 1HB LYS 16 -6.656 31.187 19.488
115 2HB LYS 16 2HB LYS 16 -7.216 31.277 17.818
116 1HG LYS 16 1HG LYS 16 -5.706 33.165 18.388
117 2HG LYS 16 2HG LYS 16 -7.324 33.726 17.967
118 1HD LYS 16 1HD LYS 16 -6.583 34.899 19.968
119 2HD LYS 16 2HD LYS 16 -7.880 33.788 20.409
120 1HE LYS 16 1HE LYS 16 -6.212 32.132 21.180
121 2HE LYS 16 2HE LYS 16 -4.904 33.242 20.727
122 1HZ LYS 16 1HZ LYS 16 -7.128 34.138 22.456
123 2HZ LYS 16 2HZ LYS 16 -5.797 33.326 23.129
124 3HZ LYS 16 3HZ LYS 16 -5.567 34.792 22.307
125 H ASN 17 H ASN 17 -10.697 33.260 19.860
126 HA ASN 17 HA ASN 17 -12.229 34.571 18.626
127 1HB ASN 17 1HB ASN 17 -9.708 34.812 16.950
128 2HB ASN 17 2HB ASN 17 -11.096 35.896 16.843
129 2HD2 ASN 17 2HD2 ASN 17 -8.102 36.003 18.009
130 1HD2 ASN 17 1HD2 ASN 17 -8.332 36.856 19.457
131 H GLY 18 H GLY 18 -12.655 31.915 18.139
132 1HA GLY 18 1HA GLY 18 -13.720 31.944 15.433
133 2HA GLY 18 2HA GLY 18 -13.841 30.606 16.575
134 H LYS 19 H LYS 19 -10.763 30.925 16.879
135 HA LYS 19 HA LYS 19 -10.078 29.361 14.412
136 1HB LYS 19 1HB LYS 19 -9.249 31.790 14.632
137 2HB LYS 19 2HB LYS 19 -8.219 31.194 15.933
138 1HG LYS 19 1HG LYS 19 -8.224 29.742 13.306
139 2HG LYS 19 2HG LYS 19 -7.327 31.255 13.438
140 1HD LYS 19 1HD LYS 19 -6.997 28.944 15.373
141 2HD LYS 19 2HD LYS 19 -5.971 29.182 13.961
142 1HE LYS 19 1HE LYS 19 -6.370 31.384 16.001
143 2HE LYS 19 2HE LYS 19 -5.098 30.161 16.180
144 1HZ LYS 19 1HZ LYS 19 -5.403 31.326 13.530
145 2HZ LYS 19 2HZ LYS 19 -4.798 32.375 14.722
146 3HZ LYS 19 3HZ LYS 19 -3.990 30.921 14.375
147 H LEU 20 H LEU 20 -10.118 27.303 15.388
148 HA LEU 20 HA LEU 20 -8.880 26.830 18.005
149 1HB LEU 20 1HB LEU 20 -10.814 25.556 17.429
150 2HB LEU 20 2HB LEU 20 -10.171 25.162 15.838
151 HG LEU 20 HG LEU 20 -10.089 23.337 17.690
152 1HD1 LEU 20 1HD1 LEU 20 -8.670 23.743 15.412
153 2HD1 LEU 20 2HD1 LEU 20 -7.361 23.690 16.592
154 3HD1 LEU 20 3HD1 LEU 20 -8.468 22.326 16.443
155 1HD2 LEU 20 1HD2 LEU 20 -8.999 25.116 19.274
156 2HD2 LEU 20 2HD2 LEU 20 -8.403 23.456 19.308
157 3HD2 LEU 20 3HD2 LEU 20 -7.508 24.695 18.428
158 H PHE 21 H PHE 21 -6.670 26.735 18.154
159 HA PHE 21 HA PHE 21 -5.094 25.919 15.770
160 1HB PHE 21 1HB PHE 21 -3.184 26.622 17.386
161 2HB PHE 21 2HB PHE 21 -4.251 27.880 16.776
162 HD1 PHE 21 HD1 PHE 21 -3.387 25.814 19.722
163 HD2 PHE 21 HD2 PHE 21 -5.810 29.031 18.223
164 HE1 PHE 21 HE1 PHE 21 -3.979 26.449 22.042
165 HE2 PHE 21 HE2 PHE 21 -6.401 29.665 20.547
166 HZ PHE 21 HZ PHE 21 -5.486 28.375 22.456
167 H CYS 22 H CYS 22 -5.651 23.652 15.848
168 HA CYS 22 HA CYS 22 -5.384 21.938 18.083
169 1HB CYS 22 1HB CYS 22 -6.490 21.124 16.180
170 2HB CYS 22 2HB CYS 22 -5.203 21.623 15.092
171 HA PRO 23 HA PRO 23 -0.809 21.182 16.641
172 1HB PRO 23 1HB PRO 23 0.125 23.646 15.490
173 2HB PRO 23 2HB PRO 23 -0.003 22.063 14.718
174 1HG PRO 23 1HG PRO 23 -1.598 24.374 14.212
175 2HG PRO 23 2HG PRO 23 -1.791 22.763 13.516
176 1HD PRO 23 1HD PRO 23 -3.440 24.087 15.519
177 2HD PRO 23 2HD PRO 23 -3.726 22.540 14.692
178 H GLN 24 H GLN 24 -1.016 21.546 19.046
179 HA GLN 24 HA GLN 24 0.452 24.026 19.871
180 1HB GLN 24 1HB GLN 24 -1.006 23.814 21.980
181 2HB GLN 24 2HB GLN 24 -1.826 24.341 20.512
182 1HG GLN 24 1HG GLN 24 -2.856 22.255 20.191
183 2HG GLN 24 2HG GLN 24 -1.691 21.415 21.214
184 2HE2 GLN 24 2HE2 GLN 24 -1.901 21.729 23.587
185 1HE2 GLN 24 1HE2 GLN 24 -3.376 22.243 24.253
186 H ASP 25 H ASP 25 -0.423 22.012 22.467
187 HA ASP 25 HA ASP 25 2.363 21.052 22.704
188 1HB ASP 25 1HB ASP 25 -0.061 21.381 24.432
189 2HB ASP 25 2HB ASP 25 1.167 20.222 24.941
190 H LYS 26 H LYS 26 1.722 19.599 20.688
191 HA LYS 26 HA LYS 26 -0.021 17.352 21.030
192 1HB LYS 26 1HB LYS 26 2.235 18.165 19.236
193 2HB LYS 26 2HB LYS 26 1.658 16.500 19.157
194 1HG LYS 26 1HG LYS 26 -0.597 17.239 18.671
195 2HG LYS 26 2HG LYS 26 -0.152 18.924 18.945
196 1HD LYS 26 1HD LYS 26 0.830 17.113 16.721
197 2HD LYS 26 2HD LYS 26 -0.184 18.545 16.554
198 1HE LYS 26 1HE LYS 26 1.779 19.660 16.195
199 2HE LYS 26 2HE LYS 26 2.029 19.503 17.944
200 1HZ LYS 26 1HZ LYS 26 2.769 17.433 15.938
201 2HZ LYS 26 2HZ LYS 26 3.865 18.539 16.610
202 3HZ LYS 26 3HZ LYS 26 3.100 17.393 17.604
203 H LYS 27 H LYS 27 2.891 18.019 22.620
204 HA LYS 27 HA LYS 27 4.390 15.697 22.733
205 1HB LYS 27 1HB LYS 27 3.415 17.517 24.954
206 2HB LYS 27 2HB LYS 27 4.730 16.358 25.145
207 1HG LYS 27 1HG LYS 27 4.693 18.523 23.025
208 2HG LYS 27 2HG LYS 27 5.497 18.695 24.585
209 1HD LYS 27 1HD LYS 27 6.934 16.780 24.097
210 2HD LYS 27 2HD LYS 27 6.080 16.494 22.580
211 1HE LYS 27 1HE LYS 27 6.751 18.935 21.981
212 2HE LYS 27 2HE LYS 27 7.932 18.772 23.296
213 1HZ LYS 27 1HZ LYS 27 8.502 16.558 22.219
214 2HZ LYS 27 2HZ LYS 27 7.646 17.103 20.859
215 3HZ LYS 27 3HZ LYS 27 9.019 17.952 21.394
216 H PHE 28 H PHE 28 1.107 16.151 23.872
217 HA PHE 28 HA PHE 28 0.731 14.123 25.744
218 1HB PHE 28 1HB PHE 28 -1.045 14.799 23.376
219 2HB PHE 28 2HB PHE 28 -1.571 14.121 24.915
220 HD1 PHE 28 HD1 PHE 28 -0.144 15.621 26.923
221 HD2 PHE 28 HD2 PHE 28 -1.832 16.998 23.221
222 HE1 PHE 28 HE1 PHE 28 -0.347 17.905 27.865
223 HE2 PHE 28 HE2 PHE 28 -2.036 19.282 24.163
224 HZ PHE 28 HZ PHE 28 -1.293 19.736 26.485
225 H PHE 29 H PHE 29 1.513 13.793 22.360
226 HA PHE 29 HA PHE 29 0.544 11.213 21.753
227 1HB PHE 29 1HB PHE 29 1.602 12.797 20.182
228 2HB PHE 29 2HB PHE 29 3.151 12.572 20.992
229 HD1 PHE 29 HD1 PHE 29 4.074 10.151 21.126
230 HD2 PHE 29 HD2 PHE 29 0.967 11.373 18.424
231 HE1 PHE 29 HE1 PHE 29 4.529 8.169 19.708
232 HE2 PHE 29 HE2 PHE 29 1.422 9.390 17.004
233 HZ PHE 29 HZ PHE 29 3.203 7.788 17.647
234 H GLN 30 H GLN 30 2.957 12.129 24.046
235 HA GLN 30 HA GLN 30 4.588 9.759 24.016
236 1HB GLN 30 1HB GLN 30 3.923 11.739 26.217
237 2HB GLN 30 2HB GLN 30 5.303 10.639 26.215
238 1HG GLN 30 1HG GLN 30 5.105 12.210 23.751
239 2HG GLN 30 2HG GLN 30 5.293 13.216 25.187
240 2HE2 GLN 30 2HE2 GLN 30 7.128 11.795 22.864
241 1HE2 GLN 30 1HE2 GLN 30 8.535 11.459 23.752
242 H SER 31 H SER 31 1.332 10.164 24.924
243 HA SER 31 HA SER 31 1.381 7.530 26.311
244 1HB SER 31 1HB SER 31 1.610 9.096 28.114
245 2HB SER 31 2HB SER 31 0.387 10.164 27.426
246 HG SER 31 HG SER 31 -0.611 8.999 29.004
247 H LEU 32 H LEU 32 -0.869 6.653 26.549
248 HA LEU 32 HA LEU 32 -2.416 6.981 24.143
249 1HB LEU 32 1HB LEU 32 -2.145 4.983 25.765
250 2HB LEU 32 2HB LEU 32 -3.367 5.791 26.748
251 HG LEU 32 HG LEU 32 -4.311 4.094 25.141
252 1HD1 LEU 32 1HD1 LEU 32 -5.368 6.418 25.954
253 2HD1 LEU 32 2HD1 LEU 32 -5.314 6.751 24.223
254 3HD1 LEU 32 3HD1 LEU 32 -6.213 5.359 24.824
255 1HD2 LEU 32 1HD2 LEU 32 -2.532 4.970 23.362
256 2HD2 LEU 32 2HD2 LEU 32 -4.086 4.315 22.847
257 3HD2 LEU 32 3HD2 LEU 32 -3.850 6.060 22.933
258 H ASP 33 H ASP 33 -3.173 7.807 27.541
259 HA ASP 33 HA ASP 33 -5.626 9.137 27.086
260 1HB ASP 33 1HB ASP 33 -4.499 8.483 29.274
261 2HB ASP 33 2HB ASP 33 -3.471 9.903 29.085
262 H GLY 34 H GLY 34 -2.288 10.346 26.968
263 1HA GLY 34 1HA GLY 34 -1.439 12.394 26.155
264 2HA GLY 34 2HA GLY 34 -3.066 13.066 26.306
265 H ILE 35 H ILE 35 -2.167 10.160 24.525
266 HA ILE 35 HA ILE 35 -2.002 11.260 21.902
267 HB ILE 35 HB ILE 35 -2.547 8.610 23.188
268 1HG1 ILE 35 1HG1 ILE 35 -0.253 9.649 22.705
269 2HG1 ILE 35 2HG1 ILE 35 -0.500 7.999 22.133
270 1HG2 ILE 35 1HG2 ILE 35 -3.225 9.326 20.353
271 2HG2 ILE 35 2HG2 ILE 35 -2.542 7.736 20.692
272 3HG2 ILE 35 3HG2 ILE 35 -4.055 8.228 21.455
273 1HD1 ILE 35 1HD1 ILE 35 -1.173 10.286 20.311
274 2HD1 ILE 35 2HD1 ILE 35 0.516 9.822 20.514
275 3HD1 ILE 35 3HD1 ILE 35 -0.650 8.651 19.903
276 H MET 36 H MET 36 -4.772 10.083 23.801
277 HA MET 36 HA MET 36 -6.836 10.021 21.964
278 1HB MET 36 1HB MET 36 -6.592 11.065 24.778
279 2HB MET 36 2HB MET 36 -8.144 11.122 23.944
280 1HG MET 36 1HG MET 36 -6.459 8.632 24.347
281 2HG MET 36 2HG MET 36 -7.912 9.038 25.259
282 1HE MET 36 1HE MET 36 -10.180 8.583 24.641
283 2HE MET 36 2HE MET 36 -10.066 10.030 23.643
284 3HE MET 36 3HE MET 36 -10.823 8.580 22.992
285 H PHE 37 H PHE 37 -5.667 13.002 23.597
286 HA PHE 37 HA PHE 37 -7.341 14.880 22.408
287 1HB PHE 37 1HB PHE 37 -5.953 16.172 23.634
288 2HB PHE 37 2HB PHE 37 -4.900 14.779 23.864
289 HD1 PHE 37 HD1 PHE 37 -3.068 14.331 22.150
290 HD2 PHE 37 HD2 PHE 37 -5.299 17.995 22.278
291 HE1 PHE 37 HE1 PHE 37 -1.330 15.439 20.778
292 HE2 PHE 37 HE2 PHE 37 -3.565 19.100 20.900
293 HZ PHE 37 HZ PHE 37 -1.589 17.813 20.147
294 H ILE 38 H ILE 38 -4.302 13.569 21.001
295 HA ILE 38 HA ILE 38 -4.255 15.008 18.589
296 HB ILE 38 HB ILE 38 -3.570 12.134 19.267
297 1HG1 ILE 38 1HG1 ILE 38 -2.022 14.730 19.133
298 2HG1 ILE 38 2HG1 ILE 38 -2.236 13.669 20.526
299 1HG2 ILE 38 1HG2 ILE 38 -3.825 13.253 16.700
300 2HG2 ILE 38 2HG2 ILE 38 -2.095 13.278 17.046
301 3HG2 ILE 38 3HG2 ILE 38 -2.987 11.759 17.121
302 1HD1 ILE 38 1HD1 ILE 38 -0.796 12.865 17.981
303 2HD1 ILE 38 2HD1 ILE 38 0.015 13.441 19.437
304 3HD1 ILE 38 3HD1 ILE 38 -0.898 11.934 19.475
305 H ASN 39 H ASN 39 -6.139 12.122 19.446
306 HA ASN 39 HA ASN 39 -7.260 11.637 16.850
307 1HB ASN 39 1HB ASN 39 -8.193 11.062 19.677
308 2HB ASN 39 2HB ASN 39 -8.956 10.380 18.241
309 2HD2 ASN 39 2HD2 ASN 39 -7.587 8.794 20.284
310 1HD2 ASN 39 1HD2 ASN 39 -6.256 8.053 19.534
311 H LYS 40 H LYS 40 -8.321 13.621 19.594
312 HA LYS 40 HA LYS 40 -10.778 14.471 18.215
313 1HB LYS 40 1HB LYS 40 -9.448 14.776 20.862
314 2HB LYS 40 2HB LYS 40 -10.555 16.064 20.389
315 1HG LYS 40 1HG LYS 40 -12.386 14.572 20.198
316 2HG LYS 40 2HG LYS 40 -11.335 13.156 20.170
317 1HD LYS 40 1HD LYS 40 -10.652 14.307 22.568
318 2HD LYS 40 2HD LYS 40 -12.374 14.679 22.470
319 1HE LYS 40 1HE LYS 40 -12.861 12.280 22.045
320 2HE LYS 40 2HE LYS 40 -11.131 11.917 22.188
321 1HZ LYS 40 1HZ LYS 40 -12.371 13.532 24.293
322 2HZ LYS 40 2HZ LYS 40 -12.730 11.871 24.280
323 3HZ LYS 40 3HZ LYS 40 -11.120 12.389 24.405
324 H CYS 41 H CYS 41 -7.488 15.573 18.574
325 HA CYS 41 HA CYS 41 -7.796 18.368 18.120
326 1HB CYS 41 1HB CYS 41 -5.762 16.684 18.633
327 2HB CYS 41 2HB CYS 41 -5.526 16.860 16.894
328 H ALA 42 H ALA 42 -6.907 15.866 15.704
329 HA ALA 42 HA ALA 42 -7.291 17.543 13.418
330 1HB ALA 42 1HB ALA 42 -7.203 14.575 13.961
331 2HB ALA 42 2HB ALA 42 -7.469 15.186 12.328
332 3HB ALA 42 3HB ALA 42 -5.983 15.587 13.186
333 H THR 43 H THR 43 -9.509 15.505 15.269
334 HA THR 43 HA THR 43 -11.675 15.685 13.309
335 HB THR 43 HB THR 43 -11.545 14.831 16.220
336 HG1 THR 43 HG1 THR 43 -10.291 13.589 14.774
337 1HG2 THR 43 1HG2 THR 43 -13.822 15.489 14.957
338 2HG2 THR 43 2HG2 THR 43 -13.642 13.841 14.354
339 3HG2 THR 43 3HG2 THR 43 -13.731 14.140 16.089
340 H CYS 44 H CYS 44 -10.612 17.504 16.126
341 HA CYS 44 HA CYS 44 -13.138 19.023 16.301
342 1HB CYS 44 1HB CYS 44 -11.995 18.449 18.344
343 2HB CYS 44 2HB CYS 44 -10.467 19.085 17.733
344 H LYS 45 H LYS 45 -9.710 19.674 15.488
345 HA LYS 45 HA LYS 45 -9.893 22.421 14.902
346 1HB LYS 45 1HB LYS 45 -7.834 22.062 13.759
347 2HB LYS 45 2HB LYS 45 -7.896 20.787 14.974
348 1HG LYS 45 1HG LYS 45 -7.452 19.425 13.195
349 2HG LYS 45 2HG LYS 45 -9.185 19.568 12.904
350 1HD LYS 45 1HD LYS 45 -8.908 21.046 11.150
351 2HD LYS 45 2HD LYS 45 -7.405 21.700 11.800
352 1HE LYS 45 1HE LYS 45 -6.191 19.683 11.145
353 2HE LYS 45 2HE LYS 45 -7.698 18.919 10.606
354 1HZ LYS 45 1HZ LYS 45 -6.617 21.492 9.572
355 2HZ LYS 45 2HZ LYS 45 -6.494 20.004 8.768
356 3HZ LYS 45 3HZ LYS 45 -8.021 20.703 9.029
357 H MET 46 H MET 46 -11.036 19.667 13.056
358 HA MET 46 HA MET 46 -11.410 21.129 10.560
359 1HB MET 46 1HB MET 46 -12.622 19.031 9.957
360 2HB MET 46 2HB MET 46 -11.039 18.706 10.661
361 1HG MET 46 1HG MET 46 -11.942 17.641 12.438
362 2HG MET 46 2HG MET 46 -13.134 18.916 12.688
363 1HE MET 46 1HE MET 46 -14.821 19.423 10.934
364 2HE MET 46 2HE MET 46 -14.421 18.670 9.392
365 3HE MET 46 3HE MET 46 -15.899 18.209 10.232
366 H ILE 47 H ILE 47 -13.238 20.600 13.483
367 HA ILE 47 HA ILE 47 -15.880 21.134 12.500
368 HB ILE 47 HB ILE 47 -14.681 21.774 15.214
369 1HG1 ILE 47 1HG1 ILE 47 -14.046 19.516 14.753
370 2HG1 ILE 47 2HG1 ILE 47 -15.495 19.410 15.752
371 1HG2 ILE 47 1HG2 ILE 47 -17.445 21.379 14.120
372 2HG2 ILE 47 2HG2 ILE 47 -17.113 20.905 15.785
373 3HG2 ILE 47 3HG2 ILE 47 -16.863 22.575 15.279
374 1HD1 ILE 47 1HD1 ILE 47 -16.867 19.135 13.703
375 2HD1 ILE 47 2HD1 ILE 47 -15.398 19.196 12.726
376 3HD1 ILE 47 3HD1 ILE 47 -15.655 17.862 13.850
377 H LEU 48 H LEU 48 -13.145 23.183 13.239
378 HA LEU 48 HA LEU 48 -14.703 25.669 13.364
379 1HB LEU 48 1HB LEU 48 -11.746 25.008 13.166
380 2HB LEU 48 2HB LEU 48 -12.374 26.638 13.397
381 HG LEU 48 HG LEU 48 -11.879 25.899 15.587
382 1HD1 LEU 48 1HD1 LEU 48 -14.308 26.710 15.113
383 2HD1 LEU 48 2HD1 LEU 48 -14.757 25.028 15.393
384 3HD1 LEU 48 3HD1 LEU 48 -13.967 25.954 16.669
385 1HD2 LEU 48 1HD2 LEU 48 -11.668 23.461 14.754
386 2HD2 LEU 48 2HD2 LEU 48 -12.215 23.710 16.412
387 3HD2 LEU 48 3HD2 LEU 48 -13.382 23.321 15.148
388 H GLU 49 H GLU 49 -12.634 23.981 11.014
389 HA GLU 49 HA GLU 49 -12.565 26.000 8.998
390 1HB GLU 49 1HB GLU 49 -12.545 22.969 8.814
391 2HB GLU 49 2HB GLU 49 -11.997 24.064 7.545
392 1HG GLU 49 1HG GLU 49 -10.336 25.018 9.161
393 2HG GLU 49 2HG GLU 49 -10.826 23.791 10.329
394 H LYS 50 H LYS 50 -15.060 23.705 9.913
395 HA LYS 50 HA LYS 50 -16.617 23.681 7.526
396 1HB LYS 50 1HB LYS 50 -17.310 23.475 10.472
397 2HB LYS 50 2HB LYS 50 -18.452 23.112 9.179
398 1HG LYS 50 1HG LYS 50 -15.739 21.785 9.413
399 2HG LYS 50 2HG LYS 50 -17.210 21.100 10.106
400 1HD LYS 50 1HD LYS 50 -16.848 21.808 7.177
401 2HD LYS 50 2HD LYS 50 -16.708 20.181 7.841
402 1HE LYS 50 1HE LYS 50 -19.062 20.370 8.688
403 2HE LYS 50 2HE LYS 50 -19.186 21.940 7.874
404 1HZ LYS 50 1HZ LYS 50 -18.437 20.793 5.813
405 2HZ LYS 50 2HZ LYS 50 -18.574 19.309 6.628
406 3HZ LYS 50 3HZ LYS 50 -19.952 20.267 6.363
407 H GLU 51 H GLU 51 -16.808 25.838 10.381
408 HA GLU 51 HA GLU 51 -18.996 27.432 9.599
409 1HB GLU 51 1HB GLU 51 -16.422 28.102 11.059
410 2HB GLU 51 2HB GLU 51 -17.843 29.146 11.043
411 1HG GLU 51 1HG GLU 51 -19.187 27.309 12.024
412 2HG GLU 51 2HG GLU 51 -17.748 26.291 12.068
413 H ALA 52 H ALA 52 -15.705 27.400 8.379
414 HA ALA 52 HA ALA 52 -15.897 29.989 7.029
415 1HB ALA 52 1HB ALA 52 -13.963 27.885 7.578
416 2HB ALA 52 2HB ALA 52 -13.841 28.440 5.909
417 3HB ALA 52 3HB ALA 52 -13.678 29.591 7.235
418 H LYS 53 H LYS 53 -16.774 26.701 6.302
419 HA LYS 53 HA LYS 53 -16.724 26.942 3.404
420 1HB LYS 53 1HB LYS 53 -16.566 24.819 4.684
421 2HB LYS 53 2HB LYS 53 -18.213 25.061 5.266
422 1HG LYS 53 1HG LYS 53 -18.954 25.137 2.846
423 2HG LYS 53 2HG LYS 53 -17.322 24.636 2.401
424 1HD LYS 53 1HD LYS 53 -17.590 22.626 3.865
425 2HD LYS 53 2HD LYS 53 -19.259 23.109 4.167
426 1HE LYS 53 1HE LYS 53 -19.698 23.006 1.704
427 2HE LYS 53 2HE LYS 53 -18.047 22.399 1.471
428 1HZ LYS 53 1HZ LYS 53 -19.823 21.157 3.474
429 2HZ LYS 53 2HZ LYS 53 -19.961 20.713 1.839
430 3HZ LYS 53 3HZ LYS 53 -18.494 20.482 2.665
431 H SER 54 H SER 54 -19.057 27.664 5.936
432 HA SER 54 HA SER 54 -21.387 27.820 4.216
433 1HB SER 54 1HB SER 54 -21.337 27.479 6.705
434 2HB SER 54 2HB SER 54 -20.801 29.150 6.881
435 HG SER 54 HG SER 54 -22.719 29.791 5.816
436 H GLN 55 H GLN 55 -18.693 29.907 4.799
437 HA GLN 55 HA GLN 55 -20.155 32.312 3.824
438 1HB GLN 55 1HB GLN 55 -18.700 32.422 5.829
439 2HB GLN 55 2HB GLN 55 -17.329 31.890 4.854
440 1HG GLN 55 1HG GLN 55 -17.640 33.892 3.396
441 2HG GLN 55 2HG GLN 55 -18.928 34.439 4.469
442 2HE2 GLN 55 2HE2 GLN 55 -18.248 35.802 6.130
443 1HE2 GLN 55 1HE2 GLN 55 -16.663 35.892 6.731
No H/Q in entry = 443
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -27.757 20.065 17.894
2 H2 LYS 1 H2 LYS 1 -27.122 21.299 16.914
3 H3 LYS 1 H3 LYS 1 -27.841 19.938 16.202
4 HA LYS 1 HA LYS 1 -26.031 18.612 16.523
5 1HB LYS 1 1HB LYS 1 -24.991 21.464 16.597
6 2HB LYS 1 2HB LYS 1 -24.043 20.057 16.114
7 1HG LYS 1 1HG LYS 1 -25.681 19.605 14.299
8 2HG LYS 1 2HG LYS 1 -26.569 21.057 14.762
9 1HD LYS 1 1HD LYS 1 -24.651 22.457 14.241
10 2HD LYS 1 2HD LYS 1 -23.652 21.037 13.931
11 1HE LYS 1 1HE LYS 1 -25.337 20.411 12.106
12 2HE LYS 1 2HE LYS 1 -26.004 22.043 12.304
13 1HZ LYS 1 1HZ LYS 1 -23.708 22.899 12.042
14 2HZ LYS 1 2HZ LYS 1 -23.183 21.324 11.681
15 3HZ LYS 1 3HZ LYS 1 -24.277 22.116 10.650
16 H ASN 2 H ASN 2 -24.601 17.673 18.024
17 HA ASN 2 HA ASN 2 -24.481 18.992 20.719
18 1HB ASN 2 1HB ASN 2 -24.519 16.061 19.922
19 2HB ASN 2 2HB ASN 2 -24.455 16.664 21.579
20 2HD2 ASN 2 2HD2 ASN 2 -26.635 15.146 19.945
21 1HD2 ASN 2 1HD2 ASN 2 -28.039 16.056 20.227
22 H GLU 3 H GLU 3 -22.447 19.056 21.729
23 HA GLU 3 HA GLU 3 -20.084 19.005 20.135
24 1HB GLU 3 1HB GLU 3 -20.459 18.742 23.137
25 2HB GLU 3 2HB GLU 3 -18.978 19.258 22.331
26 1HG GLU 3 1HG GLU 3 -20.328 21.134 21.284
27 2HG GLU 3 2HG GLU 3 -21.651 20.683 22.359
28 H ASP 4 H ASP 4 -21.730 16.494 21.945
29 HA ASP 4 HA ASP 4 -19.513 14.628 22.075
30 1HB ASP 4 1HB ASP 4 -22.523 14.465 22.306
31 2HB ASP 4 2HB ASP 4 -21.494 13.047 22.506
32 H GLN 5 H GLN 5 -21.308 15.781 19.480
33 HA GLN 5 HA GLN 5 -21.381 13.263 17.939
34 1HB GLN 5 1HB GLN 5 -23.119 15.125 17.894
35 2HB GLN 5 2HB GLN 5 -21.919 16.117 17.066
36 1HG GLN 5 1HG GLN 5 -21.904 14.724 15.164
37 2HG GLN 5 2HG GLN 5 -22.626 13.373 16.037
38 2HE2 GLN 5 2HE2 GLN 5 -23.677 14.611 13.556
39 1HE2 GLN 5 1HE2 GLN 5 -25.221 15.205 13.937
40 H GLU 6 H GLU 6 -19.630 16.333 18.005
41 HA GLU 6 HA GLU 6 -17.811 15.439 15.832
42 1HB GLU 6 1HB GLU 6 -17.888 17.998 17.467
43 2HB GLU 6 2HB GLU 6 -17.047 17.753 15.936
44 1HG GLU 6 1HG GLU 6 -20.049 17.522 16.306
45 2HG GLU 6 2HG GLU 6 -19.227 18.939 15.655
46 H MET 7 H MET 7 -18.075 15.218 19.186
47 HA MET 7 HA MET 7 -16.556 14.695 20.901
48 1HB MET 7 1HB MET 7 -15.148 13.640 18.427
49 2HB MET 7 2HB MET 7 -14.745 13.176 20.080
50 1HG MET 7 1HG MET 7 -16.849 12.120 20.409
51 2HG MET 7 2HG MET 7 -17.546 12.891 18.984
52 1HE MET 7 1HE MET 7 -16.597 12.836 16.858
53 2HE MET 7 2HE MET 7 -14.965 12.207 16.642
54 3HE MET 7 3HE MET 7 -16.354 11.308 16.015
55 H CYS 8 H CYS 8 -16.252 17.260 20.716
56 HA CYS 8 HA CYS 8 -13.326 17.724 20.739
57 1HB CYS 8 1HB CYS 8 -15.324 18.989 18.857
58 2HB CYS 8 2HB CYS 8 -13.795 19.780 19.242
59 H HIS 9 H HIS 9 -13.204 18.523 22.821
60 HA HIS 9 HA HIS 9 -15.065 20.765 23.542
61 1HB HIS 9 1HB HIS 9 -13.912 18.603 25.334
62 2HB HIS 9 2HB HIS 9 -15.081 19.836 25.806
63 HD1 HIS 9 HD1 HIS 9 -14.760 16.649 23.848
64 HD2 HIS 9 HD2 HIS 9 -17.739 19.375 24.886
65 HE1 HIS 9 HE1 HIS 9 -16.967 15.568 23.232
66 H GLU 10 H GLU 10 -11.938 19.231 24.406
67 HA GLU 10 HA GLU 10 -10.857 21.544 25.729
68 1HB GLU 10 1HB GLU 10 -9.718 19.050 24.452
69 2HB GLU 10 2HB GLU 10 -8.693 20.228 25.271
70 1HG GLU 10 1HG GLU 10 -11.063 18.796 26.512
71 2HG GLU 10 2HG GLU 10 -9.368 18.408 26.806
72 H PHE 11 H PHE 11 -10.439 20.277 22.406
73 HA PHE 11 HA PHE 11 -8.606 22.236 21.464
74 1HB PHE 11 1HB PHE 11 -10.804 20.633 20.148
75 2HB PHE 11 2HB PHE 11 -9.619 21.563 19.237
76 HD1 PHE 11 HD1 PHE 11 -7.099 21.120 19.838
77 HD2 PHE 11 HD2 PHE 11 -10.313 18.412 20.731
78 HE1 PHE 11 HE1 PHE 11 -5.476 19.251 20.016
79 HE2 PHE 11 HE2 PHE 11 -8.692 16.547 20.906
80 HZ PHE 11 HZ PHE 11 -6.277 16.967 20.547
81 H GLN 12 H GLN 12 -12.192 22.200 21.315
82 HA GLN 12 HA GLN 12 -12.668 24.570 19.919
83 1HB GLN 12 1HB GLN 12 -14.397 23.021 20.726
84 2HB GLN 12 2HB GLN 12 -14.047 23.475 22.394
85 1HG GLN 12 1HG GLN 12 -15.097 25.512 22.203
86 2HG GLN 12 2HG GLN 12 -14.665 25.690 20.502
87 2HE2 GLN 12 2HE2 GLN 12 -16.888 26.142 19.847
88 1HE2 GLN 12 1HE2 GLN 12 -18.083 24.937 19.864
89 H ALA 13 H ALA 13 -11.747 24.175 23.327
90 HA ALA 13 HA ALA 13 -11.990 26.966 24.036
91 1HB ALA 13 1HB ALA 13 -11.170 26.214 26.087
92 2HB ALA 13 2HB ALA 13 -10.054 25.075 25.333
93 3HB ALA 13 3HB ALA 13 -11.776 24.702 25.410
94 H PHE 14 H PHE 14 -9.703 25.178 22.185
95 HA PHE 14 HA PHE 14 -7.437 26.985 22.696
96 1HB PHE 14 1HB PHE 14 -7.947 24.748 20.708
97 2HB PHE 14 2HB PHE 14 -6.388 25.522 20.969
98 HD1 PHE 14 HD1 PHE 14 -7.622 25.732 24.107
99 HD2 PHE 14 HD2 PHE 14 -6.421 22.685 21.326
100 HE1 PHE 14 HE1 PHE 14 -7.174 24.186 25.994
101 HE2 PHE 14 HE2 PHE 14 -5.974 21.141 23.212
102 HZ PHE 14 HZ PHE 14 -6.350 21.890 25.547
103 H MET 15 H MET 15 -10.195 27.701 21.293
104 HA MET 15 HA MET 15 -9.274 28.639 18.660
105 1HB MET 15 1HB MET 15 -11.838 28.942 20.258
106 2HB MET 15 2HB MET 15 -11.638 29.477 18.590
107 1HG MET 15 1HG MET 15 -11.094 27.176 17.911
108 2HG MET 15 2HG MET 15 -11.266 26.638 19.578
109 1HE MET 15 1HE MET 15 -12.785 28.488 16.700
110 2HE MET 15 2HE MET 15 -14.534 28.368 16.873
111 3HE MET 15 3HE MET 15 -13.624 29.443 17.932
112 H LYS 16 H LYS 16 -7.615 30.155 19.304
113 HA LYS 16 HA LYS 16 -8.233 32.379 21.107
114 1HB LYS 16 1HB LYS 16 -5.987 31.351 20.843
115 2HB LYS 16 2HB LYS 16 -5.951 31.886 19.163
116 1HG LYS 16 1HG LYS 16 -6.312 34.254 20.057
117 2HG LYS 16 2HG LYS 16 -5.969 33.598 21.658
118 1HD LYS 16 1HD LYS 16 -3.787 32.751 20.814
119 2HD LYS 16 2HD LYS 16 -4.128 33.489 19.249
120 1HE LYS 16 1HE LYS 16 -4.071 35.703 20.178
121 2HE LYS 16 2HE LYS 16 -4.087 35.075 21.837
122 1HZ LYS 16 1HZ LYS 16 -2.009 34.100 20.015
123 2HZ LYS 16 2HZ LYS 16 -1.836 35.678 20.612
124 3HZ LYS 16 3HZ LYS 16 -1.937 34.371 21.691
125 H ASN 17 H ASN 17 -9.838 33.733 20.270
126 HA ASN 17 HA ASN 17 -10.835 35.310 18.816
127 1HB ASN 17 1HB ASN 17 -8.414 36.118 19.221
128 2HB ASN 17 2HB ASN 17 -8.063 35.480 17.614
129 2HD2 ASN 17 2HD2 ASN 17 -8.818 38.325 19.108
130 1HD2 ASN 17 1HD2 ASN 17 -9.654 39.104 17.854
131 H GLY 18 H GLY 18 -11.520 32.892 17.948
132 1HA GLY 18 1HA GLY 18 -11.795 33.151 15.114
133 2HA GLY 18 2HA GLY 18 -12.181 31.699 16.038
134 H LYS 19 H LYS 19 -9.303 31.788 17.097
135 HA LYS 19 HA LYS 19 -8.013 30.614 14.655
136 1HB LYS 19 1HB LYS 19 -7.255 32.908 15.623
137 2HB LYS 19 2HB LYS 19 -6.563 31.954 16.934
138 1HG LYS 19 1HG LYS 19 -5.990 31.392 14.014
139 2HG LYS 19 2HG LYS 19 -4.986 32.459 14.994
140 1HD LYS 19 1HD LYS 19 -4.668 30.580 16.620
141 2HD LYS 19 2HD LYS 19 -5.555 29.527 15.517
142 1HE LYS 19 1HE LYS 19 -3.877 29.882 13.767
143 2HE LYS 19 2HE LYS 19 -3.014 31.038 14.801
144 1HZ LYS 19 1HZ LYS 19 -3.672 28.431 15.947
145 2HZ LYS 19 2HZ LYS 19 -2.432 28.459 14.787
146 3HZ LYS 19 3HZ LYS 19 -2.301 29.403 16.191
147 H LEU 20 H LEU 20 -8.500 28.434 15.229
148 HA LEU 20 HA LEU 20 -8.083 27.375 17.900
149 1HB LEU 20 1HB LEU 20 -9.663 26.265 16.550
150 2HB LEU 20 2HB LEU 20 -8.620 26.313 15.131
151 HG LEU 20 HG LEU 20 -7.127 24.656 16.128
152 1HD1 LEU 20 1HD1 LEU 20 -7.441 25.398 18.486
153 2HD1 LEU 20 2HD1 LEU 20 -9.048 24.671 18.474
154 3HD1 LEU 20 3HD1 LEU 20 -7.619 23.652 18.303
155 1HD2 LEU 20 1HD2 LEU 20 -10.072 23.954 16.220
156 2HD2 LEU 20 2HD2 LEU 20 -8.949 23.705 14.881
157 3HD2 LEU 20 3HD2 LEU 20 -8.791 22.748 16.354
158 H PHE 21 H PHE 21 -5.981 27.372 18.694
159 HA PHE 21 HA PHE 21 -3.751 26.733 16.831
160 1HB PHE 21 1HB PHE 21 -2.377 27.406 18.870
161 2HB PHE 21 2HB PHE 21 -3.405 28.671 18.204
162 HD1 PHE 21 HD1 PHE 21 -2.911 26.332 21.014
163 HD2 PHE 21 HD2 PHE 21 -5.386 29.452 19.399
164 HE1 PHE 21 HE1 PHE 21 -4.016 26.597 23.216
165 HE2 PHE 21 HE2 PHE 21 -6.481 29.722 21.608
166 HZ PHE 21 HZ PHE 21 -5.798 28.293 23.514
167 H CYS 22 H CYS 22 -4.582 24.458 16.701
168 HA CYS 22 HA CYS 22 -4.722 22.652 18.875
169 1HB CYS 22 1HB CYS 22 -5.047 22.617 16.152
170 2HB CYS 22 2HB CYS 22 -3.597 21.632 16.347
171 HA PRO 23 HA PRO 23 -0.060 21.628 17.954
172 1HB PRO 23 1HB PRO 23 1.133 24.047 16.948
173 2HB PRO 23 2HB PRO 23 1.011 22.476 16.152
174 1HG PRO 23 1HG PRO 23 -0.409 24.871 15.506
175 2HG PRO 23 2HG PRO 23 -0.582 23.282 14.757
176 1HD PRO 23 1HD PRO 23 -2.415 24.639 16.546
177 2HD PRO 23 2HD PRO 23 -2.645 23.086 15.711
178 H GLN 24 H GLN 24 -0.480 21.929 20.299
179 HA GLN 24 HA GLN 24 0.886 24.365 21.400
180 1HB GLN 24 1HB GLN 24 -1.443 24.526 21.895
181 2HB GLN 24 2HB GLN 24 -1.553 22.808 22.278
182 1HG GLN 24 1HG GLN 24 0.016 23.218 24.209
183 2HG GLN 24 2HG GLN 24 -0.108 24.943 23.874
184 2HE2 GLN 24 2HE2 GLN 24 -2.122 22.079 24.684
185 1HE2 GLN 24 1HE2 GLN 24 -3.350 22.966 25.449
186 H ASP 25 H ASP 25 -0.286 21.423 22.987
187 HA ASP 25 HA ASP 25 2.551 20.690 23.627
188 1HB ASP 25 1HB ASP 25 1.095 21.899 25.408
189 2HB ASP 25 2HB ASP 25 0.213 20.375 25.512
190 H LYS 26 H LYS 26 2.032 19.214 21.685
191 HA LYS 26 HA LYS 26 0.063 17.135 21.869
192 1HB LYS 26 1HB LYS 26 2.449 17.850 20.260
193 2HB LYS 26 2HB LYS 26 2.005 16.143 20.242
194 1HG LYS 26 1HG LYS 26 -0.230 16.659 19.483
195 2HG LYS 26 2HG LYS 26 0.037 18.387 19.713
196 1HD LYS 26 1HD LYS 26 2.113 17.794 18.061
197 2HD LYS 26 2HD LYS 26 0.924 16.613 17.509
198 1HE LYS 26 1HE LYS 26 -0.724 18.675 17.547
199 2HE LYS 26 2HE LYS 26 0.776 19.618 17.450
200 1HZ LYS 26 1HZ LYS 26 1.446 18.052 15.621
201 2HZ LYS 26 2HZ LYS 26 -0.153 17.475 15.614
202 3HZ LYS 26 3HZ LYS 26 0.164 19.097 15.231
203 H LYS 27 H LYS 27 2.843 17.604 23.736
204 HA LYS 27 HA LYS 27 4.166 15.205 24.043
205 1HB LYS 27 1HB LYS 27 3.116 17.262 25.977
206 2HB LYS 27 2HB LYS 27 4.024 15.874 26.573
207 1HG LYS 27 1HG LYS 27 5.908 16.446 25.112
208 2HG LYS 27 2HG LYS 27 4.997 17.797 24.438
209 1HD LYS 27 1HD LYS 27 4.822 18.704 26.811
210 2HD LYS 27 2HD LYS 27 5.999 17.475 27.277
211 1HE LYS 27 1HE LYS 27 7.210 19.537 26.789
212 2HE LYS 27 2HE LYS 27 7.531 18.398 25.467
213 1HZ LYS 27 1HZ LYS 27 5.152 20.115 25.311
214 2HZ LYS 27 2HZ LYS 27 6.663 20.815 24.972
215 3HZ LYS 27 3HZ LYS 27 6.117 19.495 24.057
216 H PHE 28 H PHE 28 0.808 15.857 24.828
217 HA PHE 28 HA PHE 28 0.166 13.765 26.602
218 1HB PHE 28 1HB PHE 28 -1.434 14.749 24.218
219 2HB PHE 28 2HB PHE 28 -2.078 14.070 25.712
220 HD1 PHE 28 HD1 PHE 28 -0.681 15.315 27.853
221 HD2 PHE 28 HD2 PHE 28 -1.871 17.040 24.104
222 HE1 PHE 28 HE1 PHE 28 -0.676 17.568 28.889
223 HE2 PHE 28 HE2 PHE 28 -1.869 19.292 25.141
224 HZ PHE 28 HZ PHE 28 -1.271 19.558 27.531
225 H PHE 29 H PHE 29 1.187 13.588 23.295
226 HA PHE 29 HA PHE 29 0.004 11.196 22.377
227 1HB PHE 29 1HB PHE 29 1.318 12.672 20.978
228 2HB PHE 29 2HB PHE 29 2.744 12.436 21.986
229 HD1 PHE 29 HD1 PHE 29 3.552 9.939 22.255
230 HD2 PHE 29 HD2 PHE 29 1.043 11.354 19.067
231 HE1 PHE 29 HE1 PHE 29 4.209 7.989 20.870
232 HE2 PHE 29 HE2 PHE 29 1.703 9.405 17.683
233 HZ PHE 29 HZ PHE 29 3.285 7.722 18.585
234 H GLN 30 H GLN 30 2.321 11.656 24.913
235 HA GLN 30 HA GLN 30 3.688 9.145 24.852
236 1HB GLN 30 1HB GLN 30 2.982 11.173 26.975
237 2HB GLN 30 2HB GLN 30 3.927 9.735 27.360
238 1HG GLN 30 1HG GLN 30 5.333 10.504 25.242
239 2HG GLN 30 2HG GLN 30 4.653 12.081 25.646
240 2HE2 GLN 30 2HE2 GLN 30 6.039 13.235 26.983
241 1HE2 GLN 30 1HE2 GLN 30 7.024 12.560 28.189
242 H SER 31 H SER 31 0.400 9.846 25.553
243 HA SER 31 HA SER 31 0.090 7.108 26.738
244 1HB SER 31 1HB SER 31 -0.082 8.656 28.552
245 2HB SER 31 2HB SER 31 -1.061 9.770 27.598
246 HG SER 31 HG SER 31 -2.687 8.753 28.420
247 H LEU 32 H LEU 32 -1.958 6.094 26.247
248 HA LEU 32 HA LEU 32 -3.000 6.551 23.631
249 1HB LEU 32 1HB LEU 32 -3.064 4.531 25.332
250 2HB LEU 32 2HB LEU 32 -4.590 5.265 25.828
251 HG LEU 32 HG LEU 32 -3.842 4.382 23.029
252 1HD1 LEU 32 1HD1 LEU 32 -5.815 3.369 25.091
253 2HD1 LEU 32 2HD1 LEU 32 -5.855 2.883 23.396
254 3HD1 LEU 32 3HD1 LEU 32 -4.452 2.494 24.392
255 1HD2 LEU 32 1HD2 LEU 32 -6.030 6.099 24.114
256 2HD2 LEU 32 2HD2 LEU 32 -5.214 6.176 22.552
257 3HD2 LEU 32 3HD2 LEU 32 -6.449 4.951 22.843
258 H ASP 33 H ASP 33 -3.987 7.726 26.802
259 HA ASP 33 HA ASP 33 -6.474 8.920 25.794
260 1HB ASP 33 1HB ASP 33 -4.934 9.046 28.408
261 2HB ASP 33 2HB ASP 33 -6.503 9.813 28.165
262 H GLY 34 H GLY 34 -3.230 10.034 26.767
263 1HA GLY 34 1HA GLY 34 -2.225 12.150 26.521
264 2HA GLY 34 2HA GLY 34 -3.837 12.833 26.299
265 H ILE 35 H ILE 35 -2.551 10.166 24.395
266 HA ILE 35 HA ILE 35 -1.739 11.805 22.133
267 HB ILE 35 HB ILE 35 -1.022 9.420 22.865
268 1HG1 ILE 35 1HG1 ILE 35 -1.566 10.442 20.107
269 2HG1 ILE 35 2HG1 ILE 35 -0.027 10.095 20.886
270 1HG2 ILE 35 1HG2 ILE 35 -3.552 8.784 21.320
271 2HG2 ILE 35 2HG2 ILE 35 -2.351 7.603 21.844
272 3HG2 ILE 35 3HG2 ILE 35 -3.291 8.494 23.038
273 1HD1 ILE 35 1HD1 ILE 35 -0.548 7.650 20.715
274 2HD1 ILE 35 2HD1 ILE 35 -2.000 8.066 19.803
275 3HD1 ILE 35 3HD1 ILE 35 -0.407 8.442 19.145
276 H MET 36 H MET 36 -4.586 9.859 22.965
277 HA MET 36 HA MET 36 -6.112 9.855 20.674
278 1HB MET 36 1HB MET 36 -6.613 10.145 23.577
279 2HB MET 36 2HB MET 36 -7.956 10.624 22.536
280 1HG MET 36 1HG MET 36 -8.026 8.474 21.487
281 2HG MET 36 2HG MET 36 -6.485 8.001 22.200
282 1HE MET 36 1HE MET 36 -9.843 9.631 23.297
283 2HE MET 36 2HE MET 36 -10.247 8.119 22.470
284 3HE MET 36 3HE MET 36 -10.595 8.309 24.188
285 H PHE 37 H PHE 37 -5.608 12.663 22.824
286 HA PHE 37 HA PHE 37 -7.376 14.494 21.646
287 1HB PHE 37 1HB PHE 37 -6.320 15.843 23.133
288 2HB PHE 37 2HB PHE 37 -5.290 14.468 23.511
289 HD1 PHE 37 HD1 PHE 37 -3.172 14.136 22.062
290 HD2 PHE 37 HD2 PHE 37 -5.407 17.797 22.201
291 HE1 PHE 37 HE1 PHE 37 -1.206 15.367 21.194
292 HE2 PHE 37 HE2 PHE 37 -3.441 19.029 21.329
293 HZ PHE 37 HZ PHE 37 -1.346 17.807 20.823
294 H ILE 38 H ILE 38 -4.104 13.546 20.549
295 HA ILE 38 HA ILE 38 -3.791 15.333 18.385
296 HB ILE 38 HB ILE 38 -3.063 12.397 18.666
297 1HG1 ILE 38 1HG1 ILE 38 -1.585 14.960 19.325
298 2HG1 ILE 38 2HG1 ILE 38 -2.138 13.735 20.466
299 1HG2 ILE 38 1HG2 ILE 38 -2.671 14.329 16.508
300 2HG2 ILE 38 2HG2 ILE 38 -1.145 13.676 17.105
301 3HG2 ILE 38 3HG2 ILE 38 -2.399 12.585 16.513
302 1HD1 ILE 38 1HD1 ILE 38 -0.432 12.693 18.294
303 2HD1 ILE 38 2HD1 ILE 38 0.379 13.813 19.387
304 3HD1 ILE 38 3HD1 ILE 38 -0.385 12.357 20.024
305 H ASN 39 H ASN 39 -5.414 12.165 18.486
306 HA ASN 39 HA ASN 39 -6.228 12.030 15.766
307 1HB ASN 39 1HB ASN 39 -7.433 11.000 18.351
308 2HB ASN 39 2HB ASN 39 -7.985 10.491 16.755
309 2HD2 ASN 39 2HD2 ASN 39 -6.541 8.908 18.922
310 1HD2 ASN 39 1HD2 ASN 39 -5.169 8.275 18.151
311 H LYS 40 H LYS 40 -7.648 13.679 18.548
312 HA LYS 40 HA LYS 40 -10.026 14.509 16.992
313 1HB LYS 40 1HB LYS 40 -9.032 14.896 19.829
314 2HB LYS 40 2HB LYS 40 -10.523 15.630 19.237
315 1HG LYS 40 1HG LYS 40 -11.417 13.415 18.673
316 2HG LYS 40 2HG LYS 40 -9.910 12.658 19.192
317 1HD LYS 40 1HD LYS 40 -10.383 13.927 21.448
318 2HD LYS 40 2HD LYS 40 -12.044 13.966 20.855
319 1HE LYS 40 1HE LYS 40 -11.579 11.383 20.387
320 2HE LYS 40 2HE LYS 40 -10.380 11.610 21.673
321 1HZ LYS 40 1HZ LYS 40 -13.078 12.758 21.969
322 2HZ LYS 40 2HZ LYS 40 -12.847 11.106 22.288
323 3HZ LYS 40 3HZ LYS 40 -11.984 12.268 23.173
324 H CYS 41 H CYS 41 -6.926 15.756 18.018
325 HA CYS 41 HA CYS 41 -7.263 18.534 17.967
326 1HB CYS 41 1HB CYS 41 -5.161 17.544 18.528
327 2HB CYS 41 2HB CYS 41 -5.077 16.680 16.993
328 H ALA 42 H ALA 42 -5.858 16.892 15.144
329 HA ALA 42 HA ALA 42 -6.444 18.872 13.239
330 1HB ALA 42 1HB ALA 42 -5.204 16.443 13.312
331 2HB ALA 42 2HB ALA 42 -5.538 17.320 11.820
332 3HB ALA 42 3HB ALA 42 -6.635 16.048 12.359
333 H THR 43 H THR 43 -8.460 16.142 14.311
334 HA THR 43 HA THR 43 -10.563 16.432 12.401
335 HB THR 43 HB THR 43 -10.800 15.557 15.293
336 HG1 THR 43 HG1 THR 43 -9.925 13.641 14.680
337 1HG2 THR 43 1HG2 THR 43 -12.443 15.375 12.883
338 2HG2 THR 43 2HG2 THR 43 -12.151 13.800 13.621
339 3HG2 THR 43 3HG2 THR 43 -12.887 15.094 14.567
340 H CYS 44 H CYS 44 -10.527 17.533 15.821
341 HA CYS 44 HA CYS 44 -12.848 19.041 15.901
342 1HB CYS 44 1HB CYS 44 -10.086 19.654 17.000
343 2HB CYS 44 2HB CYS 44 -11.557 20.464 17.538
344 H LYS 45 H LYS 45 -9.695 20.078 14.583
345 HA LYS 45 HA LYS 45 -10.274 22.755 13.953
346 1HB LYS 45 1HB LYS 45 -8.078 21.754 13.707
347 2HB LYS 45 2HB LYS 45 -8.680 20.628 12.492
348 1HG LYS 45 1HG LYS 45 -9.420 22.959 11.341
349 2HG LYS 45 2HG LYS 45 -8.003 23.512 12.234
350 1HD LYS 45 1HD LYS 45 -6.655 21.718 11.202
351 2HD LYS 45 2HD LYS 45 -8.073 21.167 10.310
352 1HE LYS 45 1HE LYS 45 -8.144 23.155 8.992
353 2HE LYS 45 2HE LYS 45 -7.039 24.008 10.086
354 1HZ LYS 45 1HZ LYS 45 -6.314 21.511 8.649
355 2HZ LYS 45 2HZ LYS 45 -5.971 23.057 8.039
356 3HZ LYS 45 3HZ LYS 45 -5.277 22.550 9.504
357 H MET 46 H MET 46 -10.966 19.829 12.002
358 HA MET 46 HA MET 46 -12.205 21.315 9.842
359 1HB MET 46 1HB MET 46 -12.666 19.126 8.979
360 2HB MET 46 2HB MET 46 -11.119 19.006 9.810
361 1HG MET 46 1HG MET 46 -11.940 17.437 11.192
362 2HG MET 46 2HG MET 46 -13.249 18.504 11.682
363 1HE MET 46 1HE MET 46 -11.723 16.332 9.273
364 2HE MET 46 2HE MET 46 -12.963 15.175 8.766
365 3HE MET 46 3HE MET 46 -12.719 16.666 7.859
366 H ILE 47 H ILE 47 -13.295 20.081 12.910
367 HA ILE 47 HA ILE 47 -16.098 19.853 12.412
368 HB ILE 47 HB ILE 47 -14.580 20.726 14.897
369 1HG1 ILE 47 1HG1 ILE 47 -13.809 18.571 13.901
370 2HG1 ILE 47 2HG1 ILE 47 -14.574 18.351 15.476
371 1HG2 ILE 47 1HG2 ILE 47 -17.350 19.555 14.508
372 2HG2 ILE 47 2HG2 ILE 47 -16.557 19.733 16.074
373 3HG2 ILE 47 3HG2 ILE 47 -16.964 21.162 15.123
374 1HD1 ILE 47 1HD1 ILE 47 -16.618 18.252 13.480
375 2HD1 ILE 47 2HD1 ILE 47 -16.079 16.958 14.550
376 3HD1 ILE 47 3HD1 ILE 47 -15.314 17.178 12.975
377 H LEU 48 H LEU 48 -14.065 22.630 13.323
378 HA LEU 48 HA LEU 48 -16.212 24.526 13.638
379 1HB LEU 48 1HB LEU 48 -13.247 24.665 13.049
380 2HB LEU 48 2HB LEU 48 -14.224 26.125 13.204
381 HG LEU 48 HG LEU 48 -13.280 25.684 15.368
382 1HD1 LEU 48 1HD1 LEU 48 -15.964 25.933 14.946
383 2HD1 LEU 48 2HD1 LEU 48 -15.914 24.452 15.901
384 3HD1 LEU 48 3HD1 LEU 48 -15.216 25.939 16.542
385 1HD2 LEU 48 1HD2 LEU 48 -12.789 23.255 14.846
386 2HD2 LEU 48 2HD2 LEU 48 -13.402 23.548 16.473
387 3HD2 LEU 48 3HD2 LEU 48 -14.474 22.905 15.230
388 H GLU 49 H GLU 49 -14.158 23.571 10.895
389 HA GLU 49 HA GLU 49 -15.043 25.514 9.006
390 1HB GLU 49 1HB GLU 49 -14.164 22.626 8.669
391 2HB GLU 49 2HB GLU 49 -14.209 23.824 7.376
392 1HG GLU 49 1HG GLU 49 -12.670 25.257 8.808
393 2HG GLU 49 2HG GLU 49 -12.479 23.854 9.860
394 H LYS 50 H LYS 50 -16.587 22.646 10.271
395 HA LYS 50 HA LYS 50 -18.473 22.166 8.157
396 1HB LYS 50 1HB LYS 50 -18.497 21.664 11.150
397 2HB LYS 50 2HB LYS 50 -19.685 20.988 10.037
398 1HG LYS 50 1HG LYS 50 -17.594 20.131 8.721
399 2HG LYS 50 2HG LYS 50 -16.739 20.404 10.239
400 1HD LYS 50 1HD LYS 50 -18.498 19.004 11.387
401 2HD LYS 50 2HD LYS 50 -19.140 18.609 9.792
402 1HE LYS 50 1HE LYS 50 -16.236 18.139 10.537
403 2HE LYS 50 2HE LYS 50 -17.493 16.903 10.732
404 1HZ LYS 50 1HZ LYS 50 -18.115 17.435 8.354
405 2HZ LYS 50 2HZ LYS 50 -16.648 18.279 8.241
406 3HZ LYS 50 3HZ LYS 50 -16.644 16.610 8.563
407 H GLU 51 H GLU 51 -18.587 24.215 11.071
408 HA GLU 51 HA GLU 51 -21.284 25.017 11.027
409 1HB GLU 51 1HB GLU 51 -18.756 26.570 11.669
410 2HB GLU 51 2HB GLU 51 -20.379 27.053 12.164
411 1HG GLU 51 1HG GLU 51 -19.070 24.413 12.889
412 2HG GLU 51 2HG GLU 51 -19.158 25.814 13.957
413 H ALA 52 H ALA 52 -18.667 25.899 8.870
414 HA ALA 52 HA ALA 52 -20.006 28.245 7.749
415 1HB ALA 52 1HB ALA 52 -17.562 27.984 7.826
416 2HB ALA 52 2HB ALA 52 -18.101 28.100 6.151
417 3HB ALA 52 3HB ALA 52 -17.673 26.530 6.833
418 H LYS 53 H LYS 53 -21.240 28.307 5.854
419 HA LYS 53 HA LYS 53 -22.684 26.004 5.011
420 1HB LYS 53 1HB LYS 53 -22.082 28.621 3.593
421 2HB LYS 53 2HB LYS 53 -23.397 27.522 3.177
422 1HG LYS 53 1HG LYS 53 -23.049 28.827 5.893
423 2HG LYS 53 2HG LYS 53 -24.135 29.417 4.637
424 1HD LYS 53 1HD LYS 53 -25.338 27.263 4.660
425 2HD LYS 53 2HD LYS 53 -24.248 26.666 5.912
426 1HE LYS 53 1HE LYS 53 -25.005 28.477 7.430
427 2HE LYS 53 2HE LYS 53 -26.118 29.052 6.173
428 1HZ LYS 53 1HZ LYS 53 -26.138 26.200 6.861
429 2HZ LYS 53 2HZ LYS 53 -26.875 27.274 7.946
430 3HZ LYS 53 3HZ LYS 53 -27.414 27.192 6.337
431 H SER 54 H SER 54 -19.492 27.041 4.229
432 HA SER 54 HA SER 54 -19.259 25.939 1.573
433 1HB SER 54 1HB SER 54 -16.887 26.275 1.976
434 2HB SER 54 2HB SER 54 -17.761 27.614 2.720
435 HG SER 54 HG SER 54 -16.199 25.735 3.866
436 H GLN 55 H GLN 55 -19.241 24.530 4.766
437 HA GLN 55 HA GLN 55 -19.325 21.832 3.739
438 1HB GLN 55 1HB GLN 55 -16.945 22.483 3.317
439 2HB GLN 55 2HB GLN 55 -16.745 22.754 5.047
440 1HG GLN 55 1HG GLN 55 -17.199 20.430 5.531
441 2HG GLN 55 2HG GLN 55 -17.652 20.120 3.854
442 2HE2 GLN 55 2HE2 GLN 55 -15.240 19.312 5.800
443 1HE2 GLN 55 1HE2 GLN 55 -13.899 19.462 4.769
No H/Q in entry = 443
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -24.108 22.163 9.722
2 H2 LYS 1 H2 LYS 1 -22.569 21.707 9.166
3 H3 LYS 1 H3 LYS 1 -23.758 22.198 8.060
4 HA LYS 1 HA LYS 1 -24.880 20.219 8.138
5 1HB LYS 1 1HB LYS 1 -22.005 19.645 8.929
6 2HB LYS 1 2HB LYS 1 -23.095 18.470 8.193
7 1HG LYS 1 1HG LYS 1 -23.365 19.995 6.239
8 2HG LYS 1 2HG LYS 1 -22.191 21.092 6.965
9 1HD LYS 1 1HD LYS 1 -20.482 19.326 6.912
10 2HD LYS 1 2HD LYS 1 -21.654 18.197 6.232
11 1HE LYS 1 1HE LYS 1 -21.866 19.563 4.214
12 2HE LYS 1 2HE LYS 1 -20.800 20.799 4.909
13 1HZ LYS 1 1HZ LYS 1 -19.167 18.900 5.240
14 2HZ LYS 1 2HZ LYS 1 -20.139 18.002 4.179
15 3HZ LYS 1 3HZ LYS 1 -19.392 19.430 3.641
16 H ASN 2 H ASN 2 -22.699 20.230 10.991
17 HA ASN 2 HA ASN 2 -24.602 18.482 12.449
18 1HB ASN 2 1HB ASN 2 -21.833 19.585 13.012
19 2HB ASN 2 2HB ASN 2 -22.703 18.522 14.118
20 2HD2 ASN 2 2HD2 ASN 2 -23.892 16.724 12.269
21 1HD2 ASN 2 1HD2 ASN 2 -22.667 15.863 11.469
22 H GLU 3 H GLU 3 -25.938 19.260 14.057
23 HA GLU 3 HA GLU 3 -26.316 22.103 14.405
24 1HB GLU 3 1HB GLU 3 -27.287 19.631 15.867
25 2HB GLU 3 2HB GLU 3 -27.894 21.253 16.198
26 1HG GLU 3 1HG GLU 3 -28.606 21.473 13.848
27 2HG GLU 3 2HG GLU 3 -27.983 19.859 13.504
28 H ASP 4 H ASP 4 -24.391 19.689 16.059
29 HA ASP 4 HA ASP 4 -24.022 21.189 18.523
30 1HB ASP 4 1HB ASP 4 -23.804 18.709 18.216
31 2HB ASP 4 2HB ASP 4 -22.355 18.994 17.252
32 H GLN 5 H GLN 5 -22.472 21.130 15.380
33 HA GLN 5 HA GLN 5 -20.732 22.454 14.485
34 1HB GLN 5 1HB GLN 5 -21.481 24.068 16.948
35 2HB GLN 5 2HB GLN 5 -20.492 24.669 15.618
36 1HG GLN 5 1HG GLN 5 -22.432 24.061 14.075
37 2HG GLN 5 2HG GLN 5 -23.396 23.821 15.533
38 2HE2 GLN 5 2HE2 GLN 5 -24.122 25.868 13.719
39 1HE2 GLN 5 1HE2 GLN 5 -23.810 27.378 14.429
40 H GLU 6 H GLU 6 -20.011 23.347 17.824
41 HA GLU 6 HA GLU 6 -17.257 22.497 17.606
42 1HB GLU 6 1HB GLU 6 -19.062 23.253 19.928
43 2HB GLU 6 2HB GLU 6 -17.319 23.024 20.080
44 1HG GLU 6 1HG GLU 6 -16.836 24.882 18.709
45 2HG GLU 6 2HG GLU 6 -18.459 24.908 18.019
46 H MET 7 H MET 7 -18.368 20.244 16.811
47 HA MET 7 HA MET 7 -19.509 18.314 18.372
48 1HB MET 7 1HB MET 7 -17.109 18.161 16.529
49 2HB MET 7 2HB MET 7 -17.944 16.728 17.130
50 1HG MET 7 1HG MET 7 -20.088 17.719 16.203
51 2HG MET 7 2HG MET 7 -19.096 18.948 15.420
52 1HE MET 7 1HE MET 7 -20.123 15.358 15.796
53 2HE MET 7 2HE MET 7 -19.193 14.437 14.617
54 3HE MET 7 3HE MET 7 -18.408 15.071 16.070
55 H CYS 8 H CYS 8 -16.100 19.342 18.575
56 HA CYS 8 HA CYS 8 -15.633 17.506 20.861
57 1HB CYS 8 1HB CYS 8 -13.879 19.416 19.281
58 2HB CYS 8 2HB CYS 8 -13.290 18.340 20.549
59 H HIS 9 H HIS 9 -15.326 18.256 22.970
60 HA HIS 9 HA HIS 9 -15.832 21.176 23.422
61 1HB HIS 9 1HB HIS 9 -16.870 20.476 25.482
62 2HB HIS 9 2HB HIS 9 -17.467 19.395 24.224
63 HD1 HIS 9 HD1 HIS 9 -15.028 19.506 27.108
64 HD2 HIS 9 HD2 HIS 9 -16.697 16.701 24.515
65 HE1 HIS 9 HE1 HIS 9 -14.370 17.228 27.998
66 H GLU 10 H GLU 10 -13.499 18.679 23.705
67 HA GLU 10 HA GLU 10 -12.063 19.732 26.018
68 1HB GLU 10 1HB GLU 10 -11.412 17.783 23.787
69 2HB GLU 10 2HB GLU 10 -10.337 18.088 25.152
70 1HG GLU 10 1HG GLU 10 -11.935 17.252 26.719
71 2HG GLU 10 2HG GLU 10 -13.226 17.264 25.517
72 H PHE 11 H PHE 11 -11.569 19.837 22.473
73 HA PHE 11 HA PHE 11 -9.211 21.543 22.669
74 1HB PHE 11 1HB PHE 11 -11.045 20.543 20.497
75 2HB PHE 11 2HB PHE 11 -9.769 21.702 20.134
76 HD1 PHE 11 HD1 PHE 11 -7.396 21.104 20.427
77 HD2 PHE 11 HD2 PHE 11 -10.527 18.248 21.117
78 HE1 PHE 11 HE1 PHE 11 -5.734 19.270 20.365
79 HE2 PHE 11 HE2 PHE 11 -8.863 16.414 21.052
80 HZ PHE 11 HZ PHE 11 -6.467 16.927 20.678
81 H GLN 12 H GLN 12 -12.629 22.087 22.702
82 HA GLN 12 HA GLN 12 -13.005 24.545 21.449
83 1HB GLN 12 1HB GLN 12 -14.627 23.074 22.766
84 2HB GLN 12 2HB GLN 12 -14.012 23.854 24.224
85 1HG GLN 12 1HG GLN 12 -14.560 26.082 23.080
86 2HG GLN 12 2HG GLN 12 -15.465 25.135 21.900
87 2HE2 GLN 12 2HE2 GLN 12 -17.356 26.447 22.892
88 1HE2 GLN 12 1HE2 GLN 12 -18.099 25.810 24.278
89 H ALA 13 H ALA 13 -11.457 23.916 24.586
90 HA ALA 13 HA ALA 13 -11.132 26.697 25.320
91 1HB ALA 13 1HB ALA 13 -9.285 25.472 26.776
92 2HB ALA 13 2HB ALA 13 -10.996 25.184 27.092
93 3HB ALA 13 3HB ALA 13 -10.064 24.017 26.154
94 H PHE 14 H PHE 14 -9.552 24.656 23.044
95 HA PHE 14 HA PHE 14 -6.986 26.112 23.106
96 1HB PHE 14 1HB PHE 14 -8.202 23.931 21.388
97 2HB PHE 14 2HB PHE 14 -6.573 24.551 21.146
98 HD1 PHE 14 HD1 PHE 14 -7.360 24.766 24.588
99 HD2 PHE 14 HD2 PHE 14 -6.206 21.950 21.557
100 HE1 PHE 14 HE1 PHE 14 -6.523 23.222 26.339
101 HE2 PHE 14 HE2 PHE 14 -5.373 20.408 23.304
102 HZ PHE 14 HZ PHE 14 -5.529 21.043 25.698
103 H MET 15 H MET 15 -9.810 27.245 22.261
104 HA MET 15 HA MET 15 -9.337 28.020 19.463
105 1HB MET 15 1HB MET 15 -11.433 28.560 21.572
106 2HB MET 15 2HB MET 15 -11.485 29.334 19.988
107 1HG MET 15 1HG MET 15 -11.230 26.940 19.041
108 2HG MET 15 2HG MET 15 -11.686 26.403 20.654
109 1HE MET 15 1HE MET 15 -13.613 27.285 21.933
110 2HE MET 15 2HE MET 15 -13.699 28.974 21.439
111 3HE MET 15 3HE MET 15 -15.115 27.927 21.272
112 H LYS 16 H LYS 16 -8.747 30.079 18.782
113 HA LYS 16 HA LYS 16 -7.980 32.049 20.914
114 1HB LYS 16 1HB LYS 16 -6.113 30.747 19.772
115 2HB LYS 16 2HB LYS 16 -6.574 31.557 18.275
116 1HG LYS 16 1HG LYS 16 -6.409 33.639 20.107
117 2HG LYS 16 2HG LYS 16 -5.065 32.591 20.560
118 1HD LYS 16 1HD LYS 16 -4.293 32.583 18.205
119 2HD LYS 16 2HD LYS 16 -5.621 33.663 17.776
120 1HE LYS 16 1HE LYS 16 -3.334 34.773 18.249
121 2HE LYS 16 2HE LYS 16 -4.725 35.443 19.121
122 1HZ LYS 16 1HZ LYS 16 -3.142 33.192 20.215
123 2HZ LYS 16 2HZ LYS 16 -2.675 34.800 20.489
124 3HZ LYS 16 3HZ LYS 16 -4.186 34.250 21.040
125 H ASN 17 H ASN 17 -9.842 33.366 20.624
126 HA ASN 17 HA ASN 17 -11.237 34.941 19.546
127 1HB ASN 17 1HB ASN 17 -8.656 35.224 17.970
128 2HB ASN 17 2HB ASN 17 -9.948 36.422 18.022
129 2HD2 ASN 17 2HD2 ASN 17 -6.978 36.042 19.240
130 1HD2 ASN 17 1HD2 ASN 17 -7.172 36.702 20.790
131 H GLY 18 H GLY 18 -11.731 32.366 18.674
132 1HA GLY 18 1HA GLY 18 -12.714 32.858 15.963
133 2HA GLY 18 2HA GLY 18 -13.004 31.407 16.922
134 H LYS 19 H LYS 19 -9.902 31.472 17.358
135 HA LYS 19 HA LYS 19 -9.255 30.099 14.771
136 1HB LYS 19 1HB LYS 19 -8.296 32.452 15.225
137 2HB LYS 19 2HB LYS 19 -7.318 31.676 16.471
138 1HG LYS 19 1HG LYS 19 -7.393 30.721 13.596
139 2HG LYS 19 2HG LYS 19 -6.204 31.878 14.191
140 1HD LYS 19 1HD LYS 19 -5.620 30.173 15.989
141 2HD LYS 19 2HD LYS 19 -6.613 29.019 15.098
142 1HE LYS 19 1HE LYS 19 -5.177 29.089 13.196
143 2HE LYS 19 2HE LYS 19 -4.368 30.561 13.768
144 1HZ LYS 19 1HZ LYS 19 -4.397 28.014 15.297
145 2HZ LYS 19 2HZ LYS 19 -3.148 28.426 14.227
146 3HZ LYS 19 3HZ LYS 19 -3.445 29.389 15.594
147 H LEU 20 H LEU 20 -9.171 27.949 15.372
148 HA LEU 20 HA LEU 20 -8.298 27.112 18.041
149 1HB LEU 20 1HB LEU 20 -10.067 26.092 16.444
150 2HB LEU 20 2HB LEU 20 -8.695 25.393 15.585
151 HG LEU 20 HG LEU 20 -9.395 24.974 18.507
152 1HD1 LEU 20 1HD1 LEU 20 -9.818 23.461 15.990
153 2HD1 LEU 20 2HD1 LEU 20 -9.251 22.515 17.366
154 3HD1 LEU 20 3HD1 LEU 20 -10.750 23.437 17.488
155 1HD2 LEU 20 1HD2 LEU 20 -6.995 24.206 16.852
156 2HD2 LEU 20 2HD2 LEU 20 -7.035 24.957 18.447
157 3HD2 LEU 20 3HD2 LEU 20 -7.471 23.259 18.262
158 H PHE 21 H PHE 21 -6.167 26.793 18.574
159 HA PHE 21 HA PHE 21 -4.200 26.447 16.344
160 1HB PHE 21 1HB PHE 21 -2.598 27.093 18.285
161 2HB PHE 21 2HB PHE 21 -3.648 28.349 17.634
162 HD1 PHE 21 HD1 PHE 21 -3.031 26.093 20.483
163 HD2 PHE 21 HD2 PHE 21 -5.551 29.189 18.901
164 HE1 PHE 21 HE1 PHE 21 -4.020 26.436 22.730
165 HE2 PHE 21 HE2 PHE 21 -6.538 29.535 21.149
166 HZ PHE 21 HZ PHE 21 -5.772 28.159 23.064
167 H CYS 22 H CYS 22 -4.954 24.116 16.324
168 HA CYS 22 HA CYS 22 -4.715 22.285 18.427
169 1HB CYS 22 1HB CYS 22 -5.673 21.563 16.409
170 2HB CYS 22 2HB CYS 22 -4.328 22.154 15.443
171 HA PRO 23 HA PRO 23 -0.037 21.693 17.205
172 1HB PRO 23 1HB PRO 23 0.895 24.266 16.321
173 2HB PRO 23 2HB PRO 23 0.882 22.745 15.426
174 1HG PRO 23 1HG PRO 23 -0.780 25.044 15.012
175 2HG PRO 23 2HG PRO 23 -0.808 23.516 14.131
176 1HD PRO 23 1HD PRO 23 -2.741 24.515 16.020
177 2HD PRO 23 2HD PRO 23 -2.789 22.989 15.114
178 H GLN 24 H GLN 24 -0.813 22.035 19.606
179 HA GLN 24 HA GLN 24 0.445 24.471 20.803
180 1HB GLN 24 1HB GLN 24 -1.813 24.279 21.463
181 2HB GLN 24 2HB GLN 24 -1.718 22.523 21.588
182 1HG GLN 24 1HG GLN 24 -0.277 22.719 23.565
183 2HG GLN 24 2HG GLN 24 -0.290 24.474 23.422
184 2HE2 GLN 24 2HE2 GLN 24 -2.648 21.749 23.655
185 1HE2 GLN 24 1HE2 GLN 24 -3.747 22.592 24.637
186 H ASP 25 H ASP 25 -0.138 21.209 22.072
187 HA ASP 25 HA ASP 25 2.787 20.772 22.409
188 1HB ASP 25 1HB ASP 25 0.696 21.165 24.538
189 2HB ASP 25 2HB ASP 25 2.068 20.105 24.861
190 H LYS 26 H LYS 26 1.710 19.275 20.607
191 HA LYS 26 HA LYS 26 0.016 17.106 21.261
192 1HB LYS 26 1HB LYS 26 2.220 17.584 19.259
193 2HB LYS 26 2HB LYS 26 1.338 16.057 19.286
194 1HG LYS 26 1HG LYS 26 -0.786 17.249 19.004
195 2HG LYS 26 2HG LYS 26 0.056 18.797 19.056
196 1HD LYS 26 1HD LYS 26 1.435 17.913 17.067
197 2HD LYS 26 2HD LYS 26 0.202 16.660 16.927
198 1HE LYS 26 1HE LYS 26 -1.542 18.345 16.622
199 2HE LYS 26 2HE LYS 26 -0.369 19.648 16.900
200 1HZ LYS 26 1HZ LYS 26 -0.180 17.583 14.762
201 2HZ LYS 26 2HZ LYS 26 -0.672 19.191 14.521
202 3HZ LYS 26 3HZ LYS 26 0.916 18.851 15.019
203 H LYS 27 H LYS 27 3.217 17.705 22.355
204 HA LYS 27 HA LYS 27 4.541 15.304 22.549
205 1HB LYS 27 1HB LYS 27 4.002 17.450 24.617
206 2HB LYS 27 2HB LYS 27 5.194 16.175 24.861
207 1HG LYS 27 1HG LYS 27 5.175 18.102 22.519
208 2HG LYS 27 2HG LYS 27 6.218 18.246 23.934
209 1HD LYS 27 1HD LYS 27 7.110 15.948 23.417
210 2HD LYS 27 2HD LYS 27 6.185 15.984 21.916
211 1HE LYS 27 1HE LYS 27 7.399 18.123 21.313
212 2HE LYS 27 2HE LYS 27 8.435 17.857 22.729
213 1HZ LYS 27 1HZ LYS 27 7.964 15.595 20.930
214 2HZ LYS 27 2HZ LYS 27 9.011 16.814 20.380
215 3HZ LYS 27 3HZ LYS 27 9.353 15.993 21.824
216 H PHE 28 H PHE 28 1.506 16.139 24.115
217 HA PHE 28 HA PHE 28 1.323 14.229 26.168
218 1HB PHE 28 1HB PHE 28 -0.844 15.019 24.194
219 2HB PHE 28 2HB PHE 28 -1.069 14.522 25.870
220 HD1 PHE 28 HD1 PHE 28 1.002 15.963 27.316
221 HD2 PHE 28 HD2 PHE 28 -1.453 17.282 24.047
222 HE1 PHE 28 HE1 PHE 28 1.283 18.315 28.053
223 HE2 PHE 28 HE2 PHE 28 -1.169 19.636 24.783
224 HZ PHE 28 HZ PHE 28 0.198 20.149 26.787
225 H PHE 29 H PHE 29 1.236 13.777 22.695
226 HA PHE 29 HA PHE 29 -0.072 11.402 22.237
227 1HB PHE 29 1HB PHE 29 1.273 12.773 20.634
228 2HB PHE 29 2HB PHE 29 2.742 12.090 21.331
229 HD1 PHE 29 HD1 PHE 29 -0.285 11.368 19.343
230 HD2 PHE 29 HD2 PHE 29 3.383 9.782 20.916
231 HE1 PHE 29 HE1 PHE 29 -0.505 9.391 17.862
232 HE2 PHE 29 HE2 PHE 29 3.164 7.805 19.436
233 HZ PHE 29 HZ PHE 29 1.220 7.610 17.908
234 H GLN 30 H GLN 30 2.836 11.818 24.158
235 HA GLN 30 HA GLN 30 3.736 9.098 24.209
236 1HB GLN 30 1HB GLN 30 3.971 11.492 26.041
237 2HB GLN 30 2HB GLN 30 4.786 9.969 26.395
238 1HG GLN 30 1HG GLN 30 5.637 10.172 23.917
239 2HG GLN 30 2HG GLN 30 5.245 11.879 24.121
240 2HE2 GLN 30 2HE2 GLN 30 7.046 13.044 24.783
241 1HE2 GLN 30 1HE2 GLN 30 8.256 12.469 25.825
242 H SER 31 H SER 31 0.870 10.447 25.430
243 HA SER 31 HA SER 31 0.544 8.131 27.313
244 1HB SER 31 1HB SER 31 0.928 10.191 28.559
245 2HB SER 31 2HB SER 31 -0.296 11.033 27.607
246 HG SER 31 HG SER 31 -1.851 10.014 28.648
247 H LEU 32 H LEU 32 -1.597 7.238 27.356
248 HA LEU 32 HA LEU 32 -3.080 7.068 25.011
249 1HB LEU 32 1HB LEU 32 -3.291 5.710 27.115
250 2HB LEU 32 2HB LEU 32 -4.182 7.052 27.831
251 HG LEU 32 HG LEU 32 -5.965 6.836 26.261
252 1HD1 LEU 32 1HD1 LEU 32 -4.085 4.986 24.769
253 2HD1 LEU 32 2HD1 LEU 32 -5.799 5.146 24.384
254 3HD1 LEU 32 3HD1 LEU 32 -4.723 6.534 24.215
255 1HD2 LEU 32 1HD2 LEU 32 -5.918 5.107 28.046
256 2HD2 LEU 32 2HD2 LEU 32 -6.689 4.514 26.576
257 3HD2 LEU 32 3HD2 LEU 32 -5.036 4.034 26.960
258 H ASP 33 H ASP 33 -3.895 9.193 27.772
259 HA ASP 33 HA ASP 33 -6.060 10.572 26.633
260 1HB ASP 33 1HB ASP 33 -3.822 11.372 28.511
261 2HB ASP 33 2HB ASP 33 -5.149 12.471 28.137
262 H GLY 34 H GLY 34 -2.581 11.063 26.224
263 1HA GLY 34 1HA GLY 34 -1.404 12.460 24.732
264 2HA GLY 34 2HA GLY 34 -2.880 13.401 24.524
265 H ILE 35 H ILE 35 -2.315 9.936 24.007
266 HA ILE 35 HA ILE 35 -2.122 9.933 21.186
267 HB ILE 35 HB ILE 35 -3.005 8.045 23.341
268 1HG1 ILE 35 1HG1 ILE 35 -0.627 8.329 22.843
269 2HG1 ILE 35 2HG1 ILE 35 -1.143 6.713 22.358
270 1HG2 ILE 35 1HG2 ILE 35 -3.702 7.816 20.448
271 2HG2 ILE 35 2HG2 ILE 35 -3.096 6.364 21.246
272 3HG2 ILE 35 3HG2 ILE 35 -4.540 7.170 21.859
273 1HD1 ILE 35 1HD1 ILE 35 -1.614 8.476 20.159
274 2HD1 ILE 35 2HD1 ILE 35 0.030 8.756 20.734
275 3HD1 ILE 35 3HD1 ILE 35 -0.470 7.136 20.252
276 H MET 36 H MET 36 -4.943 10.049 23.327
277 HA MET 36 HA MET 36 -6.895 9.822 21.176
278 1HB MET 36 1HB MET 36 -6.815 10.407 24.097
279 2HB MET 36 2HB MET 36 -8.240 10.949 23.212
280 1HG MET 36 1HG MET 36 -7.138 8.121 23.205
281 2HG MET 36 2HG MET 36 -8.558 8.660 24.103
282 1HE MET 36 1HE MET 36 -10.553 9.638 23.209
283 2HE MET 36 2HE MET 36 -11.354 8.940 21.795
284 3HE MET 36 3HE MET 36 -10.837 7.901 23.122
285 H PHE 37 H PHE 37 -6.213 12.605 23.353
286 HA PHE 37 HA PHE 37 -7.532 14.592 21.935
287 1HB PHE 37 1HB PHE 37 -6.600 15.724 23.656
288 2HB PHE 37 2HB PHE 37 -5.534 14.359 23.974
289 HD1 PHE 37 HD1 PHE 37 -3.285 14.257 22.921
290 HD2 PHE 37 HD2 PHE 37 -5.812 17.698 22.533
291 HE1 PHE 37 HE1 PHE 37 -1.346 15.588 22.151
292 HE2 PHE 37 HE2 PHE 37 -3.873 19.034 21.756
293 HZ PHE 37 HZ PHE 37 -1.643 17.969 21.561
294 H ILE 38 H ILE 38 -4.134 13.539 21.359
295 HA ILE 38 HA ILE 38 -3.472 15.182 19.201
296 HB ILE 38 HB ILE 38 -2.948 12.244 19.734
297 1HG1 ILE 38 1HG1 ILE 38 -2.061 13.918 21.360
298 2HG1 ILE 38 2HG1 ILE 38 -0.782 13.052 20.515
299 1HG2 ILE 38 1HG2 ILE 38 -2.721 12.909 17.290
300 2HG2 ILE 38 2HG2 ILE 38 -1.461 14.034 17.797
301 3HG2 ILE 38 3HG2 ILE 38 -1.243 12.300 18.037
302 1HD1 ILE 38 1HD1 ILE 38 -0.741 14.975 18.851
303 2HD1 ILE 38 2HD1 ILE 38 -1.788 15.853 19.965
304 3HD1 ILE 38 3HD1 ILE 38 -0.170 15.369 20.471
305 H ASN 39 H ASN 39 -5.415 12.201 19.183
306 HA ASN 39 HA ASN 39 -5.836 12.168 16.316
307 1HB ASN 39 1HB ASN 39 -7.473 10.968 18.573
308 2HB ASN 39 2HB ASN 39 -7.457 10.429 16.894
309 2HD2 ASN 39 2HD2 ASN 39 -4.354 11.119 17.057
310 1HD2 ASN 39 1HD2 ASN 39 -3.713 9.714 17.758
311 H LYS 40 H LYS 40 -7.505 13.647 19.046
312 HA LYS 40 HA LYS 40 -9.839 14.429 17.434
313 1HB LYS 40 1HB LYS 40 -8.858 14.727 20.257
314 2HB LYS 40 2HB LYS 40 -10.192 15.736 19.700
315 1HG LYS 40 1HG LYS 40 -11.407 13.689 18.982
316 2HG LYS 40 2HG LYS 40 -10.089 12.705 19.618
317 1HD LYS 40 1HD LYS 40 -11.276 12.711 21.554
318 2HD LYS 40 2HD LYS 40 -10.660 14.351 21.751
319 1HE LYS 40 1HE LYS 40 -12.668 15.328 21.046
320 2HE LYS 40 2HE LYS 40 -13.149 13.897 20.115
321 1HZ LYS 40 1HZ LYS 40 -12.688 13.504 22.965
322 2HZ LYS 40 2HZ LYS 40 -14.069 14.408 22.560
323 3HZ LYS 40 3HZ LYS 40 -13.876 12.829 21.960
324 H CYS 41 H CYS 41 -6.715 15.730 18.185
325 HA CYS 41 HA CYS 41 -7.158 18.520 18.129
326 1HB CYS 41 1HB CYS 41 -5.036 16.882 18.343
327 2HB CYS 41 2HB CYS 41 -4.833 17.361 16.658
328 H ALA 42 H ALA 42 -6.085 16.571 15.313
329 HA ALA 42 HA ALA 42 -6.884 18.636 13.423
330 1HB ALA 42 1HB ALA 42 -6.300 15.732 12.829
331 2HB ALA 42 2HB ALA 42 -5.936 17.145 11.838
332 3HB ALA 42 3HB ALA 42 -5.017 16.842 13.312
333 H THR 43 H THR 43 -8.331 15.673 14.685
334 HA THR 43 HA THR 43 -10.416 15.413 12.707
335 HB THR 43 HB THR 43 -10.203 14.514 15.600
336 HG1 THR 43 HG1 THR 43 -9.384 13.456 13.121
337 1HG2 THR 43 1HG2 THR 43 -12.475 14.510 14.120
338 2HG2 THR 43 2HG2 THR 43 -11.770 12.976 13.608
339 3HG2 THR 43 3HG2 THR 43 -12.097 13.269 15.316
340 H CYS 44 H CYS 44 -10.118 17.235 15.724
341 HA CYS 44 HA CYS 44 -12.963 18.003 15.723
342 1HB CYS 44 1HB CYS 44 -10.535 18.754 17.380
343 2HB CYS 44 2HB CYS 44 -12.165 19.337 17.715
344 H LYS 45 H LYS 45 -9.805 19.509 15.042
345 HA LYS 45 HA LYS 45 -10.620 22.185 14.650
346 1HB LYS 45 1HB LYS 45 -8.299 21.482 14.682
347 2HB LYS 45 2HB LYS 45 -8.545 20.448 13.276
348 1HG LYS 45 1HG LYS 45 -9.373 22.772 12.217
349 2HG LYS 45 2HG LYS 45 -8.262 23.413 13.427
350 1HD LYS 45 1HD LYS 45 -7.574 21.299 11.363
351 2HD LYS 45 2HD LYS 45 -7.112 22.999 11.271
352 1HE LYS 45 1HE LYS 45 -6.372 21.247 13.635
353 2HE LYS 45 2HE LYS 45 -5.319 21.444 12.220
354 1HZ LYS 45 1HZ LYS 45 -5.855 23.948 12.592
355 2HZ LYS 45 2HZ LYS 45 -6.209 23.459 14.180
356 3HZ LYS 45 3HZ LYS 45 -4.658 23.204 13.535
357 H MET 46 H MET 46 -10.536 19.491 12.298
358 HA MET 46 HA MET 46 -11.470 20.912 10.023
359 1HB MET 46 1HB MET 46 -12.254 18.551 9.384
360 2HB MET 46 2HB MET 46 -10.551 18.713 9.812
361 1HG MET 46 1HG MET 46 -10.836 17.190 11.443
362 2HG MET 46 2HG MET 46 -11.994 18.263 12.227
363 1HE MET 46 1HE MET 46 -11.505 16.595 9.078
364 2HE MET 46 2HE MET 46 -12.416 15.089 9.152
365 3HE MET 46 3HE MET 46 -13.162 16.546 8.482
366 H ILE 47 H ILE 47 -13.206 19.550 12.783
367 HA ILE 47 HA ILE 47 -15.852 19.533 11.774
368 HB ILE 47 HB ILE 47 -14.890 20.333 14.542
369 1HG1 ILE 47 1HG1 ILE 47 -13.752 18.305 14.050
370 2HG1 ILE 47 2HG1 ILE 47 -15.182 17.810 14.952
371 1HG2 ILE 47 1HG2 ILE 47 -17.374 20.529 13.870
372 2HG2 ILE 47 2HG2 ILE 47 -17.362 18.767 13.801
373 3HG2 ILE 47 3HG2 ILE 47 -17.004 19.592 15.318
374 1HD1 ILE 47 1HD1 ILE 47 -15.002 17.860 11.925
375 2HD1 ILE 47 2HD1 ILE 47 -14.784 16.415 12.912
376 3HD1 ILE 47 3HD1 ILE 47 -16.343 17.240 12.888
377 H LEU 48 H LEU 48 -13.898 22.188 13.093
378 HA LEU 48 HA LEU 48 -15.997 24.169 13.093
379 1HB LEU 48 1HB LEU 48 -12.968 24.325 12.940
380 2HB LEU 48 2HB LEU 48 -14.019 25.703 13.274
381 HG LEU 48 HG LEU 48 -14.630 23.397 14.966
382 1HD1 LEU 48 1HD1 LEU 48 -11.834 24.524 14.889
383 2HD1 LEU 48 2HD1 LEU 48 -12.513 23.887 16.386
384 3HD1 LEU 48 3HD1 LEU 48 -12.339 22.837 14.980
385 1HD2 LEU 48 1HD2 LEU 48 -15.322 25.860 15.172
386 2HD2 LEU 48 2HD2 LEU 48 -14.756 25.077 16.647
387 3HD2 LEU 48 3HD2 LEU 48 -13.685 26.158 15.756
388 H GLU 49 H GLU 49 -13.478 23.250 10.737
389 HA GLU 49 HA GLU 49 -13.779 25.249 8.805
390 1HB GLU 49 1HB GLU 49 -13.404 22.248 8.551
391 2HB GLU 49 2HB GLU 49 -13.156 23.376 7.218
392 1HG GLU 49 1HG GLU 49 -11.525 24.617 8.729
393 2HG GLU 49 2HG GLU 49 -11.642 23.251 9.838
394 H LYS 50 H LYS 50 -16.033 22.758 9.738
395 HA LYS 50 HA LYS 50 -17.687 22.914 7.333
396 1HB LYS 50 1HB LYS 50 -18.394 21.885 10.095
397 2HB LYS 50 2HB LYS 50 -19.070 21.367 8.551
398 1HG LYS 50 1HG LYS 50 -16.493 20.848 8.040
399 2HG LYS 50 2HG LYS 50 -16.442 20.693 9.796
400 1HD LYS 50 1HD LYS 50 -17.972 18.912 9.808
401 2HD LYS 50 2HD LYS 50 -18.612 19.327 8.219
402 1HE LYS 50 1HE LYS 50 -16.803 18.354 7.092
403 2HE LYS 50 2HE LYS 50 -15.722 18.519 8.489
404 1HZ LYS 50 1HZ LYS 50 -18.168 16.834 8.517
405 2HZ LYS 50 2HZ LYS 50 -16.640 16.219 8.104
406 3HZ LYS 50 3HZ LYS 50 -16.907 16.851 9.654
407 H GLU 51 H GLU 51 -17.607 24.467 10.509
408 HA GLU 51 HA GLU 51 -20.229 25.597 10.521
409 1HB GLU 51 1HB GLU 51 -17.587 26.577 11.652
410 2HB GLU 51 2HB GLU 51 -19.174 27.168 12.147
411 1HG GLU 51 1HG GLU 51 -19.803 24.909 12.884
412 2HG GLU 51 2HG GLU 51 -18.243 24.286 12.347
413 H ALA 52 H ALA 52 -17.369 26.416 8.705
414 HA ALA 52 HA ALA 52 -18.116 29.168 8.109
415 1HB ALA 52 1HB ALA 52 -16.131 27.135 7.105
416 2HB ALA 52 2HB ALA 52 -16.315 28.684 6.282
417 3HB ALA 52 3HB ALA 52 -15.822 28.637 7.975
418 H LYS 53 H LYS 53 -18.940 26.037 6.819
419 HA LYS 53 HA LYS 53 -19.813 27.036 4.204
420 1HB LYS 53 1HB LYS 53 -20.102 24.429 5.724
421 2HB LYS 53 2HB LYS 53 -20.677 24.656 4.073
422 1HG LYS 53 1HG LYS 53 -18.394 25.245 3.352
423 2HG LYS 53 2HG LYS 53 -17.815 25.036 5.005
424 1HD LYS 53 1HD LYS 53 -18.474 22.671 4.959
425 2HD LYS 53 2HD LYS 53 -19.121 22.869 3.330
426 1HE LYS 53 1HE LYS 53 -16.841 23.509 2.532
427 2HE LYS 53 2HE LYS 53 -16.214 23.200 4.163
428 1HZ LYS 53 1HZ LYS 53 -17.575 20.988 3.828
429 2HZ LYS 53 2HZ LYS 53 -17.284 21.313 2.186
430 3HZ LYS 53 3HZ LYS 53 -15.981 21.127 3.255
431 H SER 54 H SER 54 -21.255 26.427 7.357
432 HA SER 54 HA SER 54 -23.473 26.726 8.133
433 1HB SER 54 1HB SER 54 -23.379 28.761 5.880
434 2HB SER 54 2HB SER 54 -24.437 28.818 7.291
435 HG SER 54 HG SER 54 -22.263 30.005 7.224
436 H GLN 55 H GLN 55 -23.336 24.533 6.427
437 HA GLN 55 HA GLN 55 -25.615 24.859 4.519
438 1HB GLN 55 1HB GLN 55 -23.485 22.725 4.881
439 2HB GLN 55 2HB GLN 55 -24.723 22.701 3.625
440 1HG GLN 55 1HG GLN 55 -22.942 25.107 3.951
441 2HG GLN 55 2HG GLN 55 -22.375 23.698 3.055
442 2HE2 GLN 55 2HE2 GLN 55 -22.882 26.258 1.794
443 1HE2 GLN 55 1HE2 GLN 55 -24.180 26.057 0.719
No H/Q in entry = 443
Start of MODEL 21
1 H1 LYS 1 H1 LYS 1 -28.672 15.758 20.859
2 H2 LYS 1 H2 LYS 1 -29.770 14.953 19.849
3 H3 LYS 1 H3 LYS 1 -29.008 14.112 21.113
4 HA LYS 1 HA LYS 1 -26.934 14.108 20.037
5 1HB LYS 1 1HB LYS 1 -29.234 13.741 18.089
6 2HB LYS 1 2HB LYS 1 -27.610 13.098 17.846
7 1HG LYS 1 1HG LYS 1 -27.802 11.776 19.905
8 2HG LYS 1 2HG LYS 1 -29.401 12.454 20.208
9 1HD LYS 1 1HD LYS 1 -30.284 11.422 18.200
10 2HD LYS 1 2HD LYS 1 -28.675 10.885 17.718
11 1HE LYS 1 1HE LYS 1 -28.549 9.417 19.692
12 2HE LYS 1 2HE LYS 1 -30.143 9.985 20.227
13 1HZ LYS 1 1HZ LYS 1 -30.774 9.368 17.778
14 2HZ LYS 1 2HZ LYS 1 -29.434 8.329 17.901
15 3HZ LYS 1 3HZ LYS 1 -30.735 8.166 18.977
16 H ASN 2 H ASN 2 -25.707 15.965 19.700
17 HA ASN 2 HA ASN 2 -26.574 18.210 18.095
18 1HB ASN 2 1HB ASN 2 -23.853 17.282 19.073
19 2HB ASN 2 2HB ASN 2 -24.190 18.886 18.421
20 2HD2 ASN 2 2HD2 ASN 2 -26.070 20.080 19.621
21 1HD2 ASN 2 1HD2 ASN 2 -26.143 19.878 21.305
22 H GLU 3 H GLU 3 -25.655 18.852 16.017
23 HA GLU 3 HA GLU 3 -25.439 16.682 14.109
24 1HB GLU 3 1HB GLU 3 -25.026 19.680 14.037
25 2HB GLU 3 2HB GLU 3 -24.888 18.674 12.595
26 1HG GLU 3 1HG GLU 3 -27.183 17.896 12.872
27 2HG GLU 3 2HG GLU 3 -27.330 18.776 14.393
28 H ASP 4 H ASP 4 -23.141 18.496 16.007
29 HA ASP 4 HA ASP 4 -20.813 18.030 14.348
30 1HB ASP 4 1HB ASP 4 -21.291 18.730 17.255
31 2HB ASP 4 2HB ASP 4 -19.675 18.647 16.552
32 H GLN 5 H GLN 5 -22.419 16.241 16.927
33 HA GLN 5 HA GLN 5 -22.108 14.019 17.666
34 1HB GLN 5 1HB GLN 5 -22.050 13.791 15.127
35 2HB GLN 5 2HB GLN 5 -20.292 13.802 15.256
36 1HG GLN 5 1HG GLN 5 -20.368 11.846 16.738
37 2HG GLN 5 2HG GLN 5 -22.131 11.848 16.669
38 2HE2 GLN 5 2HE2 GLN 5 -19.267 11.650 14.483
39 1HE2 GLN 5 1HE2 GLN 5 -20.021 10.642 13.344
40 H GLU 6 H GLU 6 -18.943 14.699 16.168
41 HA GLU 6 HA GLU 6 -17.379 13.559 18.242
42 1HB GLU 6 1HB GLU 6 -16.837 15.747 16.212
43 2HB GLU 6 2HB GLU 6 -15.575 14.973 17.171
44 1HG GLU 6 1HG GLU 6 -17.481 13.547 15.290
45 2HG GLU 6 2HG GLU 6 -15.785 13.900 14.956
46 H MET 7 H MET 7 -18.781 16.774 17.919
47 HA MET 7 HA MET 7 -18.866 18.581 19.442
48 1HB MET 7 1HB MET 7 -19.727 16.559 20.746
49 2HB MET 7 2HB MET 7 -18.113 16.438 21.447
50 1HG MET 7 1HG MET 7 -18.352 18.857 22.163
51 2HG MET 7 2HG MET 7 -20.041 18.764 21.664
52 1HE MET 7 1HE MET 7 -19.769 19.801 23.916
53 2HE MET 7 2HE MET 7 -20.587 18.929 25.212
54 3HE MET 7 3HE MET 7 -18.828 19.033 25.202
55 H CYS 8 H CYS 8 -17.106 19.912 19.003
56 HA CYS 8 HA CYS 8 -14.355 19.134 19.590
57 1HB CYS 8 1HB CYS 8 -15.877 21.338 18.360
58 2HB CYS 8 2HB CYS 8 -14.399 21.859 19.170
59 H HIS 9 H HIS 9 -16.828 19.975 21.616
60 HA HIS 9 HA HIS 9 -16.095 21.992 23.340
61 1HB HIS 9 1HB HIS 9 -18.034 20.497 23.599
62 2HB HIS 9 2HB HIS 9 -16.962 19.166 24.035
63 HD1 HIS 9 HD1 HIS 9 -17.997 22.604 25.286
64 HD2 HIS 9 HD2 HIS 9 -16.264 19.100 26.730
65 HE1 HIS 9 HE1 HIS 9 -17.805 22.882 27.795
66 H GLU 10 H GLU 10 -14.636 18.733 23.226
67 HA GLU 10 HA GLU 10 -12.914 18.925 25.462
68 1HB GLU 10 1HB GLU 10 -12.735 17.560 22.767
69 2HB GLU 10 2HB GLU 10 -11.529 17.299 24.027
70 1HG GLU 10 1HG GLU 10 -14.509 16.781 24.260
71 2HG GLU 10 2HG GLU 10 -13.241 15.559 24.169
72 H PHE 11 H PHE 11 -12.398 20.007 22.097
73 HA PHE 11 HA PHE 11 -9.788 21.206 22.873
74 1HB PHE 11 1HB PHE 11 -11.231 20.454 20.361
75 2HB PHE 11 2HB PHE 11 -9.988 21.697 20.265
76 HD1 PHE 11 HD1 PHE 11 -10.427 18.414 22.053
77 HD2 PHE 11 HD2 PHE 11 -7.887 20.918 19.660
78 HE1 PHE 11 HE1 PHE 11 -8.671 16.667 22.087
79 HE2 PHE 11 HE2 PHE 11 -6.130 19.172 19.701
80 HZ PHE 11 HZ PHE 11 -6.521 17.051 20.912
81 H GLN 12 H GLN 12 -13.066 22.105 22.616
82 HA GLN 12 HA GLN 12 -13.136 24.648 21.489
83 1HB GLN 12 1HB GLN 12 -15.069 23.523 22.466
84 2HB GLN 12 2HB GLN 12 -14.355 23.625 24.076
85 1HG GLN 12 1HG GLN 12 -15.650 25.514 24.205
86 2HG GLN 12 2HG GLN 12 -14.271 26.238 23.378
87 2HE2 GLN 12 2HE2 GLN 12 -16.996 27.206 23.074
88 1HE2 GLN 12 1HE2 GLN 12 -17.450 26.956 21.458
89 H ALA 13 H ALA 13 -11.578 23.642 24.478
90 HA ALA 13 HA ALA 13 -11.143 26.303 25.545
91 1HB ALA 13 1HB ALA 13 -9.178 24.317 26.321
92 2HB ALA 13 2HB ALA 13 -10.479 25.017 27.284
93 3HB ALA 13 3HB ALA 13 -10.789 23.598 26.283
94 H PHE 14 H PHE 14 -9.549 24.308 23.157
95 HA PHE 14 HA PHE 14 -7.070 25.914 23.196
96 1HB PHE 14 1HB PHE 14 -7.991 23.718 21.318
97 2HB PHE 14 2HB PHE 14 -6.336 24.246 21.606
98 HD1 PHE 14 HD1 PHE 14 -6.500 24.600 24.608
99 HD2 PHE 14 HD2 PHE 14 -7.854 21.442 22.032
100 HE1 PHE 14 HE1 PHE 14 -6.309 22.988 26.484
101 HE2 PHE 14 HE2 PHE 14 -7.665 19.830 23.907
102 HZ PHE 14 HZ PHE 14 -6.892 20.603 26.132
103 H MET 15 H MET 15 -9.930 26.857 22.278
104 HA MET 15 HA MET 15 -9.343 27.577 19.462
105 1HB MET 15 1HB MET 15 -11.670 28.091 19.388
106 2HB MET 15 2HB MET 15 -11.550 26.651 20.391
107 1HG MET 15 1HG MET 15 -11.467 28.219 22.401
108 2HG MET 15 2HG MET 15 -11.924 29.513 21.295
109 1HE MET 15 1HE MET 15 -13.310 29.621 23.269
110 2HE MET 15 2HE MET 15 -14.908 29.803 22.532
111 3HE MET 15 3HE MET 15 -14.626 28.547 23.735
112 H LYS 16 H LYS 16 -8.281 29.482 19.097
113 HA LYS 16 HA LYS 16 -8.292 31.589 21.197
114 1HB LYS 16 1HB LYS 16 -6.176 30.753 20.205
115 2HB LYS 16 2HB LYS 16 -6.734 31.261 18.611
116 1HG LYS 16 1HG LYS 16 -6.927 33.604 19.494
117 2HG LYS 16 2HG LYS 16 -6.198 33.048 21.002
118 1HD LYS 16 1HD LYS 16 -4.215 32.260 19.703
119 2HD LYS 16 2HD LYS 16 -4.934 32.944 18.246
120 1HE LYS 16 1HE LYS 16 -4.848 35.187 19.186
121 2HE LYS 16 2HE LYS 16 -4.307 34.549 20.751
122 1HZ LYS 16 1HZ LYS 16 -2.835 33.789 18.326
123 2HZ LYS 16 2HZ LYS 16 -2.577 35.341 18.960
124 3HZ LYS 16 3HZ LYS 16 -2.269 33.971 19.917
125 H ASN 17 H ASN 17 -10.447 32.433 20.821
126 HA ASN 17 HA ASN 17 -11.936 33.982 19.836
127 1HB ASN 17 1HB ASN 17 -9.602 35.093 19.599
128 2HB ASN 17 2HB ASN 17 -9.691 34.589 17.911
129 2HD2 ASN 17 2HD2 ASN 17 -10.124 37.287 19.628
130 1HD2 ASN 17 1HD2 ASN 17 -11.454 37.978 18.832
131 H GLY 18 H GLY 18 -12.328 31.407 19.009
132 1HA GLY 18 1HA GLY 18 -13.373 31.788 16.306
133 2HA GLY 18 2HA GLY 18 -13.566 30.342 17.296
134 H LYS 19 H LYS 19 -10.339 31.100 17.367
135 HA LYS 19 HA LYS 19 -9.720 29.576 14.866
136 1HB LYS 19 1HB LYS 19 -8.815 31.944 15.498
137 2HB LYS 19 2HB LYS 19 -7.758 31.065 16.603
138 1HG LYS 19 1HG LYS 19 -7.985 30.555 13.620
139 2HG LYS 19 2HG LYS 19 -6.672 31.433 14.405
140 1HD LYS 19 1HD LYS 19 -6.299 29.341 15.822
141 2HD LYS 19 2HD LYS 19 -7.393 28.509 14.717
142 1HE LYS 19 1HE LYS 19 -5.854 28.495 13.011
143 2HE LYS 19 2HE LYS 19 -5.216 30.093 13.443
144 1HZ LYS 19 1HZ LYS 19 -4.846 27.677 15.132
145 2HZ LYS 19 2HZ LYS 19 -3.710 28.164 13.970
146 3HZ LYS 19 3HZ LYS 19 -4.065 29.178 15.286
147 H LEU 20 H LEU 20 -9.775 27.407 15.498
148 HA LEU 20 HA LEU 20 -8.689 26.531 18.078
149 1HB LEU 20 1HB LEU 20 -10.620 25.429 17.139
150 2HB LEU 20 2HB LEU 20 -9.787 25.156 15.612
151 HG LEU 20 HG LEU 20 -9.957 23.175 17.287
152 1HD1 LEU 20 1HD1 LEU 20 -8.299 23.681 15.243
153 2HD1 LEU 20 2HD1 LEU 20 -7.109 23.650 16.543
154 3HD1 LEU 20 3HD1 LEU 20 -8.129 22.242 16.248
155 1HD2 LEU 20 1HD2 LEU 20 -9.221 24.529 19.254
156 2HD2 LEU 20 2HD2 LEU 20 -8.216 23.104 18.991
157 3HD2 LEU 20 3HD2 LEU 20 -7.633 24.696 18.506
158 H PHE 21 H PHE 21 -6.492 26.412 18.327
159 HA PHE 21 HA PHE 21 -4.801 25.841 15.946
160 1HB PHE 21 1HB PHE 21 -2.973 26.427 17.686
161 2HB PHE 21 2HB PHE 21 -4.039 27.725 17.160
162 HD1 PHE 21 HD1 PHE 21 -3.213 25.418 19.927
163 HD2 PHE 21 HD2 PHE 21 -5.697 28.684 18.654
164 HE1 PHE 21 HE1 PHE 21 -3.901 25.811 22.275
165 HE2 PHE 21 HE2 PHE 21 -6.378 29.080 21.006
166 HZ PHE 21 HZ PHE 21 -5.481 27.643 22.815
167 H CYS 22 H CYS 22 -5.329 23.569 15.806
168 HA CYS 22 HA CYS 22 -5.252 21.652 17.838
169 1HB CYS 22 1HB CYS 22 -5.995 21.008 15.702
170 2HB CYS 22 2HB CYS 22 -4.565 21.645 14.903
171 HA PRO 23 HA PRO 23 -0.469 21.179 17.075
172 1HB PRO 23 1HB PRO 23 0.501 23.790 16.359
173 2HB PRO 23 2HB PRO 23 0.602 22.296 15.425
174 1HG PRO 23 1HG PRO 23 -1.048 24.582 14.910
175 2HG PRO 23 2HG PRO 23 -0.969 23.077 13.992
176 1HD PRO 23 1HD PRO 23 -3.087 24.003 15.719
177 2HD PRO 23 2HD PRO 23 -3.029 22.507 14.764
178 H GLN 24 H GLN 24 -1.121 21.259 19.414
179 HA GLN 24 HA GLN 24 0.031 23.666 20.784
180 1HB GLN 24 1HB GLN 24 -2.430 23.666 20.872
181 2HB GLN 24 2HB GLN 24 -2.419 22.018 21.499
182 1HG GLN 24 1HG GLN 24 -1.041 22.871 23.445
183 2HG GLN 24 2HG GLN 24 -1.338 24.505 22.852
184 2HE2 GLN 24 2HE2 GLN 24 -3.374 21.552 23.354
185 1HE2 GLN 24 1HE2 GLN 24 -4.623 22.378 24.155
186 H ASP 25 H ASP 25 1.985 22.186 20.761
187 HA ASP 25 HA ASP 25 3.435 20.689 21.869
188 1HB ASP 25 1HB ASP 25 2.846 22.069 23.768
189 2HB ASP 25 2HB ASP 25 1.303 21.241 23.951
190 H LYS 26 H LYS 26 1.901 19.381 20.078
191 HA LYS 26 HA LYS 26 0.085 17.401 20.942
192 1HB LYS 26 1HB LYS 26 1.982 17.813 18.670
193 2HB LYS 26 2HB LYS 26 1.235 16.225 18.838
194 1HG LYS 26 1HG LYS 26 -0.986 17.197 18.767
195 2HG LYS 26 2HG LYS 26 -0.320 18.828 18.813
196 1HD LYS 26 1HD LYS 26 0.839 18.364 16.645
197 2HD LYS 26 2HD LYS 26 0.036 16.796 16.588
198 1HE LYS 26 1HE LYS 26 -2.172 17.926 16.615
199 2HE LYS 26 2HE LYS 26 -1.354 19.501 16.652
200 1HZ LYS 26 1HZ LYS 26 -0.165 18.842 14.617
201 2HZ LYS 26 2HZ LYS 26 -1.059 17.398 14.564
202 3HZ LYS 26 3HZ LYS 26 -1.843 18.894 14.374
203 H LYS 27 H LYS 27 3.439 17.648 21.635
204 HA LYS 27 HA LYS 27 4.532 15.132 21.691
205 1HB LYS 27 1HB LYS 27 4.432 17.213 23.896
206 2HB LYS 27 2HB LYS 27 5.604 15.900 23.823
207 1HG LYS 27 1HG LYS 27 5.246 18.134 21.806
208 2HG LYS 27 2HG LYS 27 6.631 17.878 22.867
209 1HD LYS 27 1HD LYS 27 6.929 15.618 21.737
210 2HD LYS 27 2HD LYS 27 5.732 16.145 20.553
211 1HE LYS 27 1HE LYS 27 7.128 17.963 19.821
212 2HE LYS 27 2HE LYS 27 8.239 17.738 21.187
213 1HZ LYS 27 1HZ LYS 27 7.632 15.552 19.282
214 2HZ LYS 27 2HZ LYS 27 8.883 16.662 18.981
215 3HZ LYS 27 3HZ LYS 27 8.934 15.673 20.362
216 H PHE 28 H PHE 28 1.772 16.220 23.565
217 HA PHE 28 HA PHE 28 1.550 14.502 25.704
218 1HB PHE 28 1HB PHE 28 -0.655 14.920 23.670
219 2HB PHE 28 2HB PHE 28 -0.828 14.734 25.413
220 HD1 PHE 28 HD1 PHE 28 1.347 16.517 26.392
221 HD2 PHE 28 HD2 PHE 28 -1.506 17.068 23.232
222 HE1 PHE 28 HE1 PHE 28 1.529 18.978 26.653
223 HE2 PHE 28 HE2 PHE 28 -1.327 19.523 23.492
224 HZ PHE 28 HZ PHE 28 0.193 20.482 25.198
225 H PHE 29 H PHE 29 1.418 13.650 22.302
226 HA PHE 29 HA PHE 29 0.198 11.186 22.160
227 1HB PHE 29 1HB PHE 29 1.395 12.407 20.352
228 2HB PHE 29 2HB PHE 29 2.933 11.931 21.072
229 HD1 PHE 29 HD1 PHE 29 3.171 9.318 21.547
230 HD2 PHE 29 HD2 PHE 29 0.500 11.065 18.671
231 HE1 PHE 29 HE1 PHE 29 3.073 7.161 20.326
232 HE2 PHE 29 HE2 PHE 29 0.403 8.908 17.451
233 HZ PHE 29 HZ PHE 29 1.690 6.956 18.278
234 H GLN 30 H GLN 30 3.138 11.942 23.920
235 HA GLN 30 HA GLN 30 4.206 9.306 24.216
236 1HB GLN 30 1HB GLN 30 4.315 11.897 25.756
237 2HB GLN 30 2HB GLN 30 5.166 10.467 26.342
238 1HG GLN 30 1HG GLN 30 6.055 10.358 23.858
239 2HG GLN 30 2HG GLN 30 5.644 12.073 23.854
240 2HE2 GLN 30 2HE2 GLN 30 7.245 13.437 24.656
241 1HE2 GLN 30 1HE2 GLN 30 8.513 12.955 25.675
242 H SER 31 H SER 31 1.290 10.605 25.397
243 HA SER 31 HA SER 31 1.078 8.364 27.373
244 1HB SER 31 1HB SER 31 0.308 11.279 27.713
245 2HB SER 31 2HB SER 31 -0.094 10.005 28.865
246 HG SER 31 HG SER 31 1.930 11.305 29.165
247 H LEU 32 H LEU 32 -1.019 7.452 27.503
248 HA LEU 32 HA LEU 32 -2.697 7.371 25.285
249 1HB LEU 32 1HB LEU 32 -2.607 6.143 27.647
250 2HB LEU 32 2HB LEU 32 -3.892 7.291 28.026
251 HG LEU 32 HG LEU 32 -3.979 5.643 25.501
252 1HD1 LEU 32 1HD1 LEU 32 -4.370 4.772 28.293
253 2HD1 LEU 32 2HD1 LEU 32 -5.713 4.388 27.217
254 3HD1 LEU 32 3HD1 LEU 32 -4.090 3.808 26.843
255 1HD2 LEU 32 1HD2 LEU 32 -5.972 7.139 27.217
256 2HD2 LEU 32 2HD2 LEU 32 -5.554 7.438 25.531
257 3HD2 LEU 32 3HD2 LEU 32 -6.472 5.998 25.969
258 H ASP 33 H ASP 33 -3.341 9.318 28.216
259 HA ASP 33 HA ASP 33 -5.564 10.763 27.290
260 1HB ASP 33 1HB ASP 33 -3.234 11.495 29.090
261 2HB ASP 33 2HB ASP 33 -4.658 12.521 28.916
262 H GLY 34 H GLY 34 -2.118 11.273 26.709
263 1HA GLY 34 1HA GLY 34 -1.013 12.800 25.288
264 2HA GLY 34 2HA GLY 34 -2.484 13.774 25.275
265 H ILE 35 H ILE 35 -2.063 10.369 24.372
266 HA ILE 35 HA ILE 35 -2.042 10.698 21.546
267 HB ILE 35 HB ILE 35 -2.737 8.556 23.527
268 1HG1 ILE 35 1HG1 ILE 35 -0.391 9.154 22.759
269 2HG1 ILE 35 2HG1 ILE 35 -0.838 7.462 22.539
270 1HG2 ILE 35 1HG2 ILE 35 -3.310 8.449 20.555
271 2HG2 ILE 35 2HG2 ILE 35 -3.094 7.001 21.539
272 3HG2 ILE 35 3HG2 ILE 35 -4.423 8.108 21.880
273 1HD1 ILE 35 1HD1 ILE 35 -1.197 9.525 20.356
274 2HD1 ILE 35 2HD1 ILE 35 0.293 8.599 20.540
275 3HD1 ILE 35 3HD1 ILE 35 -1.226 7.768 20.203
276 H MET 36 H MET 36 -4.706 10.573 23.880
277 HA MET 36 HA MET 36 -6.872 10.318 22.030
278 1HB MET 36 1HB MET 36 -6.403 11.219 24.819
279 2HB MET 36 2HB MET 36 -7.887 11.801 24.063
280 1HG MET 36 1HG MET 36 -8.460 9.456 23.450
281 2HG MET 36 2HG MET 36 -7.013 8.904 24.296
282 1HE MET 36 1HE MET 36 -10.325 9.562 24.079
283 2HE MET 36 2HE MET 36 -11.033 9.213 25.654
284 3HE MET 36 3HE MET 36 -10.669 10.879 25.210
285 H PHE 37 H PHE 37 -5.698 13.312 23.640
286 HA PHE 37 HA PHE 37 -7.193 15.212 22.304
287 1HB PHE 37 1HB PHE 37 -5.823 16.377 23.676
288 2HB PHE 37 2HB PHE 37 -4.692 15.029 23.753
289 HD1 PHE 37 HD1 PHE 37 -2.828 14.863 22.135
290 HD2 PHE 37 HD2 PHE 37 -5.452 18.253 22.201
291 HE1 PHE 37 HE1 PHE 37 -1.230 16.115 20.731
292 HE2 PHE 37 HE2 PHE 37 -3.850 19.514 20.791
293 HZ PHE 37 HZ PHE 37 -1.749 18.433 20.055
294 H ILE 38 H ILE 38 -4.037 13.951 21.085
295 HA ILE 38 HA ILE 38 -3.972 15.265 18.613
296 HB ILE 38 HB ILE 38 -3.161 12.465 19.447
297 1HG1 ILE 38 1HG1 ILE 38 -1.728 15.123 19.215
298 2HG1 ILE 38 2HG1 ILE 38 -1.954 14.144 20.664
299 1HG2 ILE 38 1HG2 ILE 38 -3.495 12.798 16.932
300 2HG2 ILE 38 2HG2 ILE 38 -2.182 13.973 17.013
301 3HG2 ILE 38 3HG2 ILE 38 -1.883 12.286 17.433
302 1HD1 ILE 38 1HD1 ILE 38 -0.394 13.227 18.231
303 2HD1 ILE 38 2HD1 ILE 38 0.347 13.950 19.658
304 3HD1 ILE 38 3HD1 ILE 38 -0.502 12.409 19.791
305 H ASN 39 H ASN 39 -5.744 12.322 19.527
306 HA ASN 39 HA ASN 39 -6.724 11.643 16.926
307 1HB ASN 39 1HB ASN 39 -7.996 11.269 19.658
308 2HB ASN 39 2HB ASN 39 -8.346 10.320 18.214
309 2HD2 ASN 39 2HD2 ASN 39 -7.344 9.077 20.596
310 1HD2 ASN 39 1HD2 ASN 39 -5.776 8.506 20.284
311 H LYS 40 H LYS 40 -7.960 13.809 19.447
312 HA LYS 40 HA LYS 40 -10.338 14.516 17.842
313 1HB LYS 40 1HB LYS 40 -9.247 14.949 20.575
314 2HB LYS 40 2HB LYS 40 -10.295 16.223 19.953
315 1HG LYS 40 1HG LYS 40 -12.141 14.807 19.788
316 2HG LYS 40 2HG LYS 40 -11.144 13.357 19.670
317 1HD LYS 40 1HD LYS 40 -10.399 14.126 22.118
318 2HD LYS 40 2HD LYS 40 -11.988 14.890 22.092
319 1HE LYS 40 1HE LYS 40 -12.294 12.662 22.987
320 2HE LYS 40 2HE LYS 40 -12.917 12.629 21.327
321 1HZ LYS 40 1HZ LYS 40 -10.058 12.152 21.708
322 2HZ LYS 40 2HZ LYS 40 -11.105 10.904 22.180
323 3HZ LYS 40 3HZ LYS 40 -11.126 11.469 20.577
324 H CYS 41 H CYS 41 -7.092 15.623 18.303
325 HA CYS 41 HA CYS 41 -7.283 18.404 17.830
326 1HB CYS 41 1HB CYS 41 -5.322 16.605 18.256
327 2HB CYS 41 2HB CYS 41 -5.119 16.825 16.519
328 H ALA 42 H ALA 42 -6.357 16.028 15.316
329 HA ALA 42 HA ALA 42 -6.962 17.778 13.121
330 1HB ALA 42 1HB ALA 42 -6.898 14.752 13.129
331 2HB ALA 42 2HB ALA 42 -6.448 15.834 11.811
332 3HB ALA 42 3HB ALA 42 -5.437 15.732 13.253
333 H THR 43 H THR 43 -8.904 15.483 14.953
334 HA THR 43 HA THR 43 -11.082 15.394 12.999
335 HB THR 43 HB THR 43 -10.829 14.567 15.909
336 HG1 THR 43 HG1 THR 43 -10.693 13.105 13.482
337 1HG2 THR 43 1HG2 THR 43 -13.087 14.581 14.036
338 2HG2 THR 43 2HG2 THR 43 -12.767 12.994 14.735
339 3HG2 THR 43 3HG2 THR 43 -13.081 14.374 15.786
340 H CYS 44 H CYS 44 -10.124 17.499 15.579
341 HA CYS 44 HA CYS 44 -12.844 18.622 15.928
342 1HB CYS 44 1HB CYS 44 -11.336 18.239 17.848
343 2HB CYS 44 2HB CYS 44 -10.137 19.310 17.122
344 H LYS 45 H LYS 45 -9.593 19.825 14.977
345 HA LYS 45 HA LYS 45 -10.312 22.439 14.212
346 1HB LYS 45 1HB LYS 45 -8.293 22.245 12.754
347 2HB LYS 45 2HB LYS 45 -8.019 21.582 14.365
348 1HG LYS 45 1HG LYS 45 -7.715 19.486 13.561
349 2HG LYS 45 2HG LYS 45 -9.106 19.612 12.486
350 1HD LYS 45 1HD LYS 45 -7.398 19.504 10.930
351 2HD LYS 45 2HD LYS 45 -7.513 21.250 11.150
352 1HE LYS 45 1HE LYS 45 -5.636 21.254 12.680
353 2HE LYS 45 2HE LYS 45 -5.611 19.481 12.729
354 1HZ LYS 45 1HZ LYS 45 -5.398 19.634 10.213
355 2HZ LYS 45 2HZ LYS 45 -5.000 21.270 10.445
356 3HZ LYS 45 3HZ LYS 45 -4.023 20.058 11.117
357 H MET 46 H MET 46 -10.913 19.394 12.596
358 HA MET 46 HA MET 46 -11.519 20.499 9.985
359 1HB MET 46 1HB MET 46 -12.491 18.186 9.688
360 2HB MET 46 2HB MET 46 -10.831 18.191 10.281
361 1HG MET 46 1HG MET 46 -11.446 17.130 12.170
362 2HG MET 46 2HG MET 46 -12.682 18.343 12.499
363 1HE MET 46 1HE MET 46 -11.898 16.272 9.600
364 2HE MET 46 2HE MET 46 -12.147 14.744 10.458
365 3HE MET 46 3HE MET 46 -13.305 15.274 9.240
366 H ILE 47 H ILE 47 -13.296 20.037 12.965
367 HA ILE 47 HA ILE 47 -15.963 20.195 11.844
368 HB ILE 47 HB ILE 47 -15.031 20.988 14.617
369 1HG1 ILE 47 1HG1 ILE 47 -13.966 18.889 14.265
370 2HG1 ILE 47 2HG1 ILE 47 -15.462 18.504 15.116
371 1HG2 ILE 47 1HG2 ILE 47 -17.431 21.343 13.953
372 2HG2 ILE 47 2HG2 ILE 47 -17.557 19.606 13.668
373 3HG2 ILE 47 3HG2 ILE 47 -17.227 20.212 15.291
374 1HD1 ILE 47 1HD1 ILE 47 -16.551 17.982 12.958
375 2HD1 ILE 47 2HD1 ILE 47 -15.047 18.352 12.115
376 3HD1 ILE 47 3HD1 ILE 47 -15.126 16.975 13.214
377 H LEU 48 H LEU 48 -13.595 22.544 13.016
378 HA LEU 48 HA LEU 48 -15.350 24.836 13.030
379 1HB LEU 48 1HB LEU 48 -12.358 24.403 12.846
380 2HB LEU 48 2HB LEU 48 -13.077 26.011 12.963
381 HG LEU 48 HG LEU 48 -14.224 24.230 14.942
382 1HD1 LEU 48 1HD1 LEU 48 -11.229 24.375 14.707
383 2HD1 LEU 48 2HD1 LEU 48 -11.980 24.281 16.300
384 3HD1 LEU 48 3HD1 LEU 48 -12.244 22.994 15.123
385 1HD2 LEU 48 1HD2 LEU 48 -14.092 26.805 14.791
386 2HD2 LEU 48 2HD2 LEU 48 -13.817 26.072 16.373
387 3HD2 LEU 48 3HD2 LEU 48 -12.449 26.626 15.408
388 H GLU 49 H GLU 49 -13.092 23.483 10.611
389 HA GLU 49 HA GLU 49 -13.139 25.427 8.621
390 1HB GLU 49 1HB GLU 49 -13.382 22.406 8.429
391 2HB GLU 49 2HB GLU 49 -12.955 23.446 7.070
392 1HG GLU 49 1HG GLU 49 -11.024 24.313 8.408
393 2HG GLU 49 2HG GLU 49 -11.419 23.143 9.667
394 H LYS 50 H LYS 50 -15.769 23.391 9.704
395 HA LYS 50 HA LYS 50 -17.496 23.747 7.405
396 1HB LYS 50 1HB LYS 50 -18.182 23.150 10.301
397 2HB LYS 50 2HB LYS 50 -19.142 22.733 8.882
398 1HG LYS 50 1HG LYS 50 -16.343 21.755 8.860
399 2HG LYS 50 2HG LYS 50 -17.395 21.016 10.066
400 1HD LYS 50 1HD LYS 50 -19.047 20.502 8.288
401 2HD LYS 50 2HD LYS 50 -17.963 21.209 7.090
402 1HE LYS 50 1HE LYS 50 -17.124 19.092 6.888
403 2HE LYS 50 2HE LYS 50 -16.314 19.419 8.432
404 1HZ LYS 50 1HZ LYS 50 -19.144 18.588 8.389
405 2HZ LYS 50 2HZ LYS 50 -17.926 17.411 8.252
406 3HZ LYS 50 3HZ LYS 50 -17.998 18.407 9.626
407 H GLU 51 H GLU 51 -16.815 25.616 10.307
408 HA GLU 51 HA GLU 51 -19.179 27.305 10.155
409 1HB GLU 51 1HB GLU 51 -17.973 26.949 12.234
410 2HB GLU 51 2HB GLU 51 -16.475 27.538 11.514
411 1HG GLU 51 1HG GLU 51 -17.597 29.754 11.143
412 2HG GLU 51 2HG GLU 51 -18.993 29.146 12.033
413 H ALA 52 H ALA 52 -15.966 27.364 8.730
414 HA ALA 52 HA ALA 52 -16.089 30.166 7.903
415 1HB ALA 52 1HB ALA 52 -14.154 28.242 8.241
416 2HB ALA 52 2HB ALA 52 -13.907 29.761 7.379
417 3HB ALA 52 3HB ALA 52 -14.303 28.293 6.484
418 H LYS 53 H LYS 53 -17.134 27.098 6.596
419 HA LYS 53 HA LYS 53 -17.324 27.970 3.822
420 1HB LYS 53 1HB LYS 53 -17.052 25.622 4.539
421 2HB LYS 53 2HB LYS 53 -18.606 25.693 5.371
422 1HG LYS 53 1HG LYS 53 -19.724 26.176 3.211
423 2HG LYS 53 2HG LYS 53 -18.168 26.061 2.390
424 1HD LYS 53 1HD LYS 53 -17.943 23.720 3.211
425 2HD LYS 53 2HD LYS 53 -19.543 23.846 3.942
426 1HE LYS 53 1HE LYS 53 -18.996 24.264 0.981
427 2HE LYS 53 2HE LYS 53 -19.605 22.753 1.683
428 1HZ LYS 53 1HZ LYS 53 -21.338 24.221 2.792
429 2HZ LYS 53 2HZ LYS 53 -20.875 25.434 1.701
430 3HZ LYS 53 3HZ LYS 53 -21.518 23.972 1.121
431 H SER 54 H SER 54 -19.439 28.030 6.640
432 HA SER 54 HA SER 54 -21.869 28.624 5.133
433 1HB SER 54 1HB SER 54 -21.057 28.806 8.050
434 2HB SER 54 2HB SER 54 -22.701 29.086 7.476
435 HG SER 54 HG SER 54 -21.174 26.721 7.422
436 H GLN 55 H GLN 55 -19.218 30.468 6.461
437 HA GLN 55 HA GLN 55 -20.045 32.899 5.146
438 1HB GLN 55 1HB GLN 55 -21.734 32.745 6.968
439 2HB GLN 55 2HB GLN 55 -20.428 32.728 8.154
440 1HG GLN 55 1HG GLN 55 -21.172 35.000 8.028
441 2HG GLN 55 2HG GLN 55 -19.654 34.938 7.133
442 2HE2 GLN 55 2HE2 GLN 55 -22.610 36.324 6.909
443 1HE2 GLN 55 1HE2 GLN 55 -22.823 36.327 5.225
No H/Q in entry = 443