NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
8668 |
1mnl   |
4222 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 -12.654 8.994 -8.036
2 2H GLY 1 3H GLY 1 -11.758 8.212 -9.246
3 3H GLY 1 2H GLY 1 -13.089 7.429 -8.536
4 1HA GLY 1 2HA GLY 1 -11.995 7.080 -6.525
5 2HA GLY 1 1HA GLY 1 -10.792 6.716 -7.763
6 H GLU 2 H GLU 2 -9.321 7.259 -5.857
7 HA GLU 2 HA GLU 2 -8.584 10.140 -6.036
8 1HB GLU 2 2HB GLU 2 -10.011 8.976 -3.910
9 2HB GLU 2 1HB GLU 2 -8.354 9.121 -3.324
10 1HG GLU 2 2HG GLU 2 -8.698 11.534 -4.578
11 2HG GLU 2 1HG GLU 2 -10.316 11.232 -3.941
12 H TRP 3 H TRP 3 -6.409 10.384 -4.677
13 HA TRP 3 HA TRP 3 -4.729 7.992 -4.515
14 1HB TRP 3 2HB TRP 3 -3.204 8.873 -6.357
15 2HB TRP 3 1HB TRP 3 -4.760 8.255 -6.910
16 HD1 TRP 3 HD1 TRP 3 -3.148 11.632 -5.936
17 HE1 TRP 3 HE1 TRP 3 -4.234 13.481 -7.368
18 HE3 TRP 3 HE3 TRP 3 -6.628 8.869 -8.457
19 HZ2 TRP 3 HZ2 TRP 3 -6.304 13.753 -9.323
20 HZ3 TRP 3 HZ3 TRP 3 -8.142 9.948 -10.097
21 HH2 TRP 3 HH2 TRP 3 -7.984 12.384 -10.533
22 H GLU 4 H GLU 4 -2.724 8.478 -3.452
23 HA GLU 4 HA GLU 4 -1.808 11.204 -3.031
24 1HB GLU 4 2HB GLU 4 -2.574 11.506 -0.787
25 2HB GLU 4 1HB GLU 4 -3.978 10.930 -1.687
26 1HG GLU 4 2HG GLU 4 -3.352 8.583 -0.950
27 2HG GLU 4 1HG GLU 4 -2.175 9.322 0.137
28 H ILE 5 H ILE 5 0.355 11.061 -2.500
29 HA ILE 5 HA ILE 5 1.533 8.446 -1.945
30 HB ILE 5 HB ILE 5 3.563 9.652 -2.360
31 1HG1 ILE 5 2HG1 ILE 5 1.969 12.209 -2.078
32 2HG1 ILE 5 1HG1 ILE 5 2.992 11.544 -0.804
33 1HG2 ILE 5 3HG2 ILE 5 1.312 9.827 -4.083
34 2HG2 ILE 5 2HG2 ILE 5 2.189 11.353 -4.205
35 3HG2 ILE 5 1HG2 ILE 5 3.018 9.831 -4.531
36 1HD1 ILE 5 2HD1 ILE 5 4.865 11.534 -2.594
37 2HD1 ILE 5 1HD1 ILE 5 3.814 12.626 -3.494
38 3HD1 ILE 5 3HD1 ILE 5 4.403 13.087 -1.898
39 H ILE 6 H ILE 6 3.495 8.713 -0.213
40 HA ILE 6 HA ILE 6 2.276 9.866 2.283
41 HB ILE 6 HB ILE 6 4.126 7.741 2.879
42 1HG1 ILE 6 2HG1 ILE 6 3.459 7.070 0.470
43 2HG1 ILE 6 1HG1 ILE 6 3.245 5.869 1.730
44 1HG2 ILE 6 1HG2 ILE 6 1.117 8.012 3.106
45 2HG2 ILE 6 3HG2 ILE 6 2.071 6.755 3.893
46 3HG2 ILE 6 2HG2 ILE 6 2.312 8.447 4.328
47 1HD1 ILE 6 2HD1 ILE 6 1.013 7.739 0.937
48 2HD1 ILE 6 1HD1 ILE 6 1.281 6.213 0.095
49 3HD1 ILE 6 3HD1 ILE 6 0.899 6.215 1.816
50 H ASP 7 H ASP 7 4.690 9.230 3.845
51 HA ASP 7 HA ASP 7 6.714 10.979 2.511
52 1HB ASP 7 2HB ASP 7 4.966 11.541 4.772
53 2HB ASP 7 1HB ASP 7 6.666 11.733 5.202
54 H ILE 8 H ILE 8 7.089 8.251 2.704
55 HA ILE 8 HA ILE 8 8.423 6.553 3.671
56 HB ILE 8 HB ILE 8 9.966 8.122 2.502
57 1HG1 ILE 8 2HG1 ILE 8 11.163 7.117 5.098
58 2HG1 ILE 8 1HG1 ILE 8 10.763 6.064 3.739
59 1HG2 ILE 8 1HG2 ILE 8 9.993 9.431 5.224
60 2HG2 ILE 8 3HG2 ILE 8 11.310 9.650 4.072
61 3HG2 ILE 8 2HG2 ILE 8 9.679 10.176 3.656
62 1HD1 ILE 8 3HD1 ILE 8 12.192 8.119 2.544
63 2HD1 ILE 8 2HD1 ILE 8 13.035 7.880 4.074
64 3HD1 ILE 8 1HD1 ILE 8 12.834 6.529 2.958
65 H GLY 9 H GLY 9 6.571 7.212 5.451
66 1HA GLY 9 2HA GLY 9 8.063 7.136 8.029
67 2HA GLY 9 1HA GLY 9 6.723 8.270 7.865
68 HA PRO 10 HA PRO 10 3.925 5.063 8.819
69 1HB PRO 10 2HB PRO 10 1.786 5.575 7.198
70 2HB PRO 10 1HB PRO 10 2.244 6.613 8.561
71 1HG PRO 10 2HG PRO 10 2.567 7.055 5.675
72 2HG PRO 10 1HG PRO 10 2.444 8.227 6.991
73 1HD PRO 10 2HD PRO 10 4.793 7.396 5.657
74 2HD PRO 10 1HD PRO 10 4.692 8.420 7.103
75 H PHE 11 H PHE 11 3.641 5.354 5.224
76 HA PHE 11 HA PHE 11 2.932 2.660 4.750
77 1HB PHE 11 2HB PHE 11 4.210 4.894 3.245
78 2HB PHE 11 1HB PHE 11 4.310 3.286 2.523
79 HD1 PHE 11 HD1 PHE 11 1.556 4.283 4.758
80 HD2 PHE 11 HD2 PHE 11 2.787 3.784 0.672
81 HE1 PHE 11 HE1 PHE 11 -0.804 4.468 4.024
82 HE2 PHE 11 HE2 PHE 11 0.425 3.969 -0.060
83 HZ PHE 11 HZ PHE 11 -1.371 4.310 1.617
84 H THR 12 H THR 12 5.998 4.010 5.676
85 HA THR 12 HA THR 12 7.701 1.861 4.781
86 HB THR 12 HB THR 12 9.331 3.065 5.895
87 HG1 THR 12 HG1 THR 12 7.755 4.200 7.847
88 1HG2 THR 12 3HG2 THR 12 7.426 4.699 4.765
89 2HG2 THR 12 2HG2 THR 12 7.621 5.360 6.379
90 3HG2 THR 12 1HG2 THR 12 9.016 5.228 5.319
91 H GLN 13 H GLN 13 6.581 2.767 8.025
92 HA GLN 13 HA GLN 13 7.253 0.367 9.366
93 1HB GLN 13 2HB GLN 13 6.302 2.720 10.115
94 2HB GLN 13 1HB GLN 13 4.751 1.885 10.025
95 1HG GLN 13 2HG GLN 13 6.675 0.208 11.368
96 2HG GLN 13 1HG GLN 13 6.625 1.792 12.143
97 1HE2 GLN 13 2HE2 GLN 13 3.081 -0.311 11.983
98 2HE2 GLN 13 1HE2 GLN 13 4.171 -0.440 10.689
99 H ASN 14 H ASN 14 4.624 1.067 7.225
100 HA ASN 14 HA ASN 14 3.011 -1.258 7.967
101 1HB ASN 14 2HB ASN 14 2.489 1.119 6.820
102 2HB ASN 14 1HB ASN 14 2.702 0.150 5.363
103 1HD2 ASN 14 2HD2 ASN 14 -0.881 -0.137 6.331
104 2HD2 ASN 14 1HD2 ASN 14 0.143 1.119 5.826
105 H LEU 15 H LEU 15 5.114 -0.346 5.298
106 HA LEU 15 HA LEU 15 4.910 -2.525 3.576
107 1HB LEU 15 2HB LEU 15 6.346 -0.820 2.897
108 2HB LEU 15 1HB LEU 15 7.088 -0.675 4.488
109 HG LEU 15 HG LEU 15 7.489 -3.182 2.877
110 1HD1 LEU 15 3HD1 LEU 15 8.671 -0.473 2.408
111 2HD1 LEU 15 2HD1 LEU 15 9.725 -1.878 2.255
112 3HD1 LEU 15 1HD1 LEU 15 8.287 -1.741 1.244
113 1HD2 LEU 15 3HD2 LEU 15 8.550 -1.916 5.298
114 2HD2 LEU 15 2HD2 LEU 15 8.621 -3.605 4.795
115 3HD2 LEU 15 1HD2 LEU 15 9.819 -2.456 4.198
116 H GLY 16 H GLY 16 6.960 -2.285 6.488
117 1HA GLY 16 2HA GLY 16 8.029 -4.936 6.313
118 2HA GLY 16 1HA GLY 16 7.992 -3.954 7.777
119 H LYS 17 H LYS 17 5.336 -3.645 8.308
120 HA LYS 17 HA LYS 17 4.577 -6.194 9.388
121 1HB LYS 17 2HB LYS 17 3.929 -4.214 10.515
122 2HB LYS 17 1HB LYS 17 3.291 -3.493 9.037
123 1HG LYS 17 2HG LYS 17 1.955 -5.994 9.528
124 2HG LYS 17 1HG LYS 17 1.870 -4.988 10.974
125 1HD LYS 17 2HD LYS 17 1.306 -3.098 9.175
126 2HD LYS 17 1HD LYS 17 0.744 -4.493 8.254
127 1HE LYS 17 2HE LYS 17 -0.095 -4.350 11.118
128 2HE LYS 17 1HE LYS 17 -0.873 -3.229 9.983
129 1HZ LYS 17 2HZ LYS 17 -0.525 -6.121 9.420
130 2HZ LYS 17 1HZ LYS 17 -1.929 -5.489 10.138
131 3HZ LYS 17 3HZ LYS 17 -1.488 -5.006 8.574
132 H PHE 18 H PHE 18 2.416 -4.285 7.421
133 HA PHE 18 HA PHE 18 0.672 -6.091 6.422
134 1HB PHE 18 2HB PHE 18 0.218 -4.064 5.507
135 2HB PHE 18 1HB PHE 18 1.917 -3.607 5.509
136 HD1 PHE 18 HD1 PHE 18 -0.630 -5.607 3.651
137 HD2 PHE 18 HD2 PHE 18 3.191 -3.651 3.516
138 HE1 PHE 18 HE1 PHE 18 -0.524 -5.978 1.204
139 HE2 PHE 18 HE2 PHE 18 3.294 -4.020 1.066
140 HZ PHE 18 HZ PHE 18 1.435 -5.183 -0.090
141 H ALA 19 H ALA 19 3.612 -5.404 4.566
142 HA ALA 19 HA ALA 19 3.478 -7.403 2.658
143 1HB ALA 19 2HB ALA 19 5.240 -5.634 2.962
144 2HB ALA 19 1HB ALA 19 5.953 -6.625 4.233
145 3HB ALA 19 3HB ALA 19 5.904 -7.221 2.575
146 H VAL 20 H VAL 20 5.584 -7.929 5.498
147 HA VAL 20 HA VAL 20 5.862 -10.668 5.400
148 HB VAL 20 HB VAL 20 5.468 -8.756 7.704
149 1HG1 VAL 20 2HG1 VAL 20 5.934 -11.726 7.733
150 2HG1 VAL 20 1HG1 VAL 20 6.651 -10.715 8.989
151 3HG1 VAL 20 3HG1 VAL 20 4.900 -10.754 8.781
152 1HG2 VAL 20 3HG2 VAL 20 7.851 -10.141 6.442
153 2HG2 VAL 20 2HG2 VAL 20 7.484 -8.416 6.406
154 3HG2 VAL 20 1HG2 VAL 20 7.943 -9.188 7.923
155 H ASP 21 H ASP 21 2.924 -8.929 6.241
156 HA ASP 21 HA ASP 21 1.600 -11.369 7.257
157 1HB ASP 21 2HB ASP 21 1.105 -9.249 8.318
158 2HB ASP 21 1HB ASP 21 0.749 -8.498 6.762
159 H GLU 22 H GLU 22 0.505 -9.019 4.756
160 HA GLU 22 HA GLU 22 -1.069 -11.005 3.434
161 1HB GLU 22 2HB GLU 22 -0.975 -8.354 3.323
162 2HB GLU 22 1HB GLU 22 0.077 -8.679 1.950
163 1HG GLU 22 2HG GLU 22 -1.611 -9.610 0.694
164 2HG GLU 22 1HG GLU 22 -2.466 -10.218 2.111
165 H GLU 23 H GLU 23 2.268 -9.966 2.953
166 HA GLU 23 HA GLU 23 2.837 -11.428 0.573
167 1HB GLU 23 2HB GLU 23 4.256 -9.693 1.784
168 2HB GLU 23 1HB GLU 23 4.678 -10.965 2.932
169 1HG GLU 23 2HG GLU 23 5.006 -11.943 0.238
170 2HG GLU 23 1HG GLU 23 5.903 -10.437 0.438
171 H ASN 24 H ASN 24 3.327 -12.349 3.990
172 HA ASN 24 HA ASN 24 3.959 -15.106 3.340
173 1HB ASN 24 2HB ASN 24 4.399 -13.647 5.473
174 2HB ASN 24 1HB ASN 24 2.772 -14.140 5.943
175 1HD2 ASN 24 2HD2 ASN 24 5.747 -16.669 6.647
176 2HD2 ASN 24 1HD2 ASN 24 5.933 -14.999 6.404
177 H LYS 25 H LYS 25 1.012 -13.450 4.514
178 HA LYS 25 HA LYS 25 -0.702 -15.704 4.583
179 1HB LYS 25 2HB LYS 25 -1.055 -12.757 4.086
180 2HB LYS 25 1HB LYS 25 -2.447 -13.840 4.091
181 1HG LYS 25 2HG LYS 25 -0.924 -14.532 6.365
182 2HG LYS 25 1HG LYS 25 -0.981 -12.768 6.338
183 1HD LYS 25 2HD LYS 25 -2.942 -13.352 7.504
184 2HD LYS 25 1HD LYS 25 -3.516 -13.076 5.858
185 1HE LYS 25 2HE LYS 25 -4.385 -15.172 5.919
186 2HE LYS 25 1HE LYS 25 -2.719 -15.785 5.925
187 1HZ LYS 25 3HZ LYS 25 -4.241 -14.917 8.327
188 2HZ LYS 25 2HZ LYS 25 -3.943 -16.532 7.887
189 3HZ LYS 25 1HZ LYS 25 -2.653 -15.514 8.320
190 H ILE 26 H ILE 26 0.256 -13.664 1.874
191 HA ILE 26 HA ILE 26 -1.611 -14.765 -0.026
192 HB ILE 26 HB ILE 26 -0.202 -12.582 -0.095
193 1HG1 ILE 26 2HG1 ILE 26 -1.713 -13.413 -1.904
194 2HG1 ILE 26 1HG1 ILE 26 -0.321 -12.521 -2.515
195 1HG2 ILE 26 3HG2 ILE 26 1.880 -14.514 -0.306
196 2HG2 ILE 26 2HG2 ILE 26 1.766 -13.692 -1.858
197 3HG2 ILE 26 1HG2 ILE 26 2.020 -12.762 -0.385
198 1HD1 ILE 26 2HD1 ILE 26 0.641 -15.104 -2.389
199 2HD1 ILE 26 1HD1 ILE 26 -1.036 -15.346 -2.880
200 3HD1 ILE 26 3HD1 ILE 26 0.026 -14.320 -3.845
201 H GLY 27 H GLY 27 1.390 -15.876 1.263
202 1HA GLY 27 2HA GLY 27 1.722 -18.369 0.958
203 2HA GLY 27 1HA GLY 27 1.411 -18.089 -0.756
204 H GLN 28 H GLN 28 3.135 -15.529 0.627
205 HA GLN 28 HA GLN 28 5.670 -16.566 -0.579
206 1HB GLN 28 2HB GLN 28 4.425 -13.847 -0.162
207 2HB GLN 28 1HB GLN 28 6.152 -14.003 -0.487
208 1HG GLN 28 2HG GLN 28 4.313 -15.528 -2.263
209 2HG GLN 28 1HG GLN 28 4.336 -13.775 -2.459
210 1HE2 GLN 28 2HE2 GLN 28 7.128 -15.597 -4.409
211 2HE2 GLN 28 1HE2 GLN 28 5.509 -16.053 -4.181
212 H TYR 29 H TYR 29 5.397 -17.657 1.824
213 HA TYR 29 HA TYR 29 6.335 -15.932 4.004
214 1HB TYR 29 2HB TYR 29 6.063 -17.931 5.305
215 2HB TYR 29 1HB TYR 29 4.753 -17.935 4.125
216 HD1 TYR 29 HD2 TYR 29 4.840 -19.419 2.147
217 HD2 TYR 29 HD1 TYR 29 7.875 -19.530 5.183
218 HE1 TYR 29 HE2 TYR 29 5.634 -21.599 1.272
219 HE2 TYR 29 HE1 TYR 29 8.668 -21.711 4.310
220 HH TYR 29 HH TYR 29 8.604 -22.989 2.226
221 H GLY 30 H GLY 30 7.957 -16.830 1.392
222 1HA GLY 30 2HA GLY 30 10.171 -18.365 1.969
223 2HA GLY 30 1HA GLY 30 10.290 -16.888 1.009
224 H ARG 31 H ARG 31 10.263 -14.809 2.453
225 HA ARG 31 HA ARG 31 11.638 -15.253 5.059
226 1HB ARG 31 2HB ARG 31 12.739 -14.019 2.550
227 2HB ARG 31 1HB ARG 31 13.280 -13.407 4.112
228 1HG ARG 31 2HG ARG 31 13.242 -16.355 3.872
229 2HG ARG 31 1HG ARG 31 14.419 -15.536 2.845
230 1HD ARG 31 2HD ARG 31 15.641 -14.744 4.645
231 2HD ARG 31 1HD ARG 31 14.218 -14.657 5.702
232 HE ARG 31 HE ARG 31 15.391 -17.282 4.860
233 1HH1 ARG 31 2HH1 ARG 31 13.391 -18.290 6.256
234 2HH1 ARG 31 1HH1 ARG 31 13.683 -18.044 7.946
235 1HH2 ARG 31 1HH2 ARG 31 16.074 -15.582 7.444
236 2HH2 ARG 31 2HH2 ARG 31 15.202 -16.510 8.617
237 H LEU 32 H LEU 32 12.347 -12.571 5.489
238 HA LEU 32 HA LEU 32 9.822 -11.397 6.211
239 1HB LEU 32 2HB LEU 32 12.506 -10.016 5.977
240 2HB LEU 32 1HB LEU 32 11.208 -9.661 7.109
241 HG LEU 32 HG LEU 32 12.488 -10.882 8.535
242 1HD1 LEU 32 1HD1 LEU 32 10.434 -12.362 7.694
243 2HD1 LEU 32 3HD1 LEU 32 11.748 -13.427 7.192
244 3HD1 LEU 32 2HD1 LEU 32 11.588 -12.960 8.885
245 1HD2 LEU 32 3HD2 LEU 32 13.874 -11.525 6.092
246 2HD2 LEU 32 2HD2 LEU 32 14.504 -11.448 7.737
247 3HD2 LEU 32 1HD2 LEU 32 13.786 -12.944 7.137
248 H THR 33 H THR 33 9.654 -8.873 5.543
249 HA THR 33 HA THR 33 10.069 -8.629 2.593
250 HB THR 33 HB THR 33 7.574 -7.452 3.369
251 HG1 THR 33 HG1 THR 33 7.421 -10.178 3.845
252 1HG2 THR 33 1HG2 THR 33 8.599 -9.554 1.532
253 2HG2 THR 33 3HG2 THR 33 6.875 -9.602 1.898
254 3HG2 THR 33 2HG2 THR 33 7.585 -8.153 1.185
255 H PHE 34 H PHE 34 11.761 -7.387 4.327
256 HA PHE 34 HA PHE 34 11.330 -4.567 3.769
257 1HB PHE 34 2HB PHE 34 10.867 -3.813 5.979
258 2HB PHE 34 1HB PHE 34 9.818 -5.213 5.764
259 HD1 PHE 34 HD2 PHE 34 10.688 -7.500 6.585
260 HD2 PHE 34 HD1 PHE 34 12.438 -3.750 7.732
261 HE1 PHE 34 HE2 PHE 34 11.757 -8.595 8.538
262 HE2 PHE 34 HE1 PHE 34 13.506 -4.844 9.684
263 HZ PHE 34 HZ PHE 34 13.166 -7.267 10.087
264 H ASN 35 H ASN 35 13.399 -3.866 3.389
265 HA ASN 35 HA ASN 35 15.571 -4.586 5.262
266 1HB ASN 35 2HB ASN 35 15.098 -6.293 3.256
267 2HB ASN 35 1HB ASN 35 16.074 -5.125 2.366
268 1HD2 ASN 35 2HD2 ASN 35 17.837 -7.177 5.473
269 2HD2 ASN 35 1HD2 ASN 35 16.155 -6.944 5.486
270 H LYS 36 H LYS 36 15.356 -3.358 1.887
271 HA LYS 36 HA LYS 36 17.352 -1.332 2.339
272 1HB LYS 36 2HB LYS 36 15.501 -2.228 0.211
273 2HB LYS 36 1HB LYS 36 16.022 -0.545 0.098
274 1HG LYS 36 2HG LYS 36 17.761 -1.583 -1.030
275 2HG LYS 36 1HG LYS 36 18.401 -1.588 0.612
276 1HD LYS 36 2HD LYS 36 17.297 -3.886 0.876
277 2HD LYS 36 1HD LYS 36 17.086 -3.867 -0.875
278 1HE LYS 36 2HE LYS 36 19.696 -3.189 -0.768
279 2HE LYS 36 1HE LYS 36 19.586 -4.152 0.720
280 1HZ LYS 36 1HZ LYS 36 18.161 -5.688 -0.830
281 2HZ LYS 36 3HZ LYS 36 19.081 -4.958 -2.054
282 3HZ LYS 36 2HZ LYS 36 19.855 -5.813 -0.807
283 H VAL 37 H VAL 37 14.436 -0.068 0.882
284 HA VAL 37 HA VAL 37 13.563 1.321 3.330
285 HB VAL 37 HB VAL 37 15.321 2.495 1.204
286 1HG1 VAL 37 3HG1 VAL 37 13.255 3.875 1.176
287 2HG1 VAL 37 2HG1 VAL 37 13.403 4.106 2.917
288 3HG1 VAL 37 1HG1 VAL 37 14.627 4.764 1.833
289 1HG2 VAL 37 3HG2 VAL 37 15.250 2.192 4.142
290 2HG2 VAL 37 2HG2 VAL 37 16.633 2.259 3.048
291 3HG2 VAL 37 1HG2 VAL 37 15.848 3.750 3.569
292 H ILE 38 H ILE 38 11.885 3.044 2.741
293 HA ILE 38 HA ILE 38 10.325 2.242 0.305
294 HB ILE 38 HB ILE 38 8.425 2.070 1.622
295 1HG1 ILE 38 2HG1 ILE 38 8.144 3.397 3.765
296 2HG1 ILE 38 1HG1 ILE 38 9.587 4.292 3.308
297 1HG2 ILE 38 3HG2 ILE 38 10.367 0.746 2.735
298 2HG2 ILE 38 2HG2 ILE 38 10.241 1.962 4.007
299 3HG2 ILE 38 1HG2 ILE 38 8.854 0.947 3.617
300 1HD1 ILE 38 2HD1 ILE 38 7.987 4.236 0.998
301 2HD1 ILE 38 1HD1 ILE 38 6.871 4.559 2.325
302 3HD1 ILE 38 3HD1 ILE 38 8.255 5.619 2.061
303 H ARG 39 H ARG 39 10.497 3.894 -1.139
304 HA ARG 39 HA ARG 39 10.444 6.687 -0.053
305 1HB ARG 39 2HB ARG 39 12.307 5.277 -1.716
306 2HB ARG 39 1HB ARG 39 11.593 6.588 -2.657
307 1HG ARG 39 2HG ARG 39 12.778 6.922 0.115
308 2HG ARG 39 1HG ARG 39 13.627 7.300 -1.384
309 1HD ARG 39 2HD ARG 39 11.237 8.643 -1.727
310 2HD ARG 39 1HD ARG 39 11.546 8.842 0.009
311 HE ARG 39 HE ARG 39 13.892 9.262 -1.714
312 1HH1 ARG 39 2HH1 ARG 39 11.015 10.919 -1.255
313 2HH1 ARG 39 1HH1 ARG 39 11.741 12.375 -0.662
314 1HH2 ARG 39 1HH2 ARG 39 14.922 11.012 -0.432
315 2HH2 ARG 39 2HH2 ARG 39 13.952 12.428 -0.196
316 HA PRO 40 HA PRO 40 7.834 6.934 -3.909
317 1HB PRO 40 2HB PRO 40 7.787 4.925 -5.759
318 2HB PRO 40 1HB PRO 40 8.982 6.231 -5.764
319 1HG PRO 40 2HG PRO 40 9.313 3.414 -5.053
320 2HG PRO 40 1HG PRO 40 10.518 4.605 -5.534
321 1HD PRO 40 2HD PRO 40 9.952 3.683 -2.899
322 2HD PRO 40 1HD PRO 40 11.105 4.935 -3.393
323 H CYS 41 H CYS 41 7.029 5.738 -1.548
324 HA CYS 41 HA CYS 41 5.134 3.552 -2.115
325 1HB CYS 41 2HB CYS 41 4.652 3.850 0.303
326 2HB CYS 41 1HB CYS 41 6.391 3.768 0.017
327 HG CYS 41 HG CYS 41 6.490 6.385 0.239
328 H MET 42 H MET 42 3.116 4.016 -2.972
329 HA MET 42 HA MET 42 1.982 6.744 -2.447
330 1HB MET 42 2HB MET 42 2.439 5.135 -4.874
331 2HB MET 42 1HB MET 42 0.842 5.879 -4.789
332 1HG MET 42 2HG MET 42 1.719 7.881 -5.314
333 2HG MET 42 1HG MET 42 2.797 7.793 -3.921
334 1HE MET 42 2HE MET 42 2.566 8.812 -6.826
335 2HE MET 42 1HE MET 42 4.239 8.888 -7.373
336 3HE MET 42 3HE MET 42 3.124 7.714 -8.085
337 H LYS 43 H LYS 43 -0.429 6.809 -2.555
338 HA LYS 43 HA LYS 43 -1.708 4.197 -1.820
339 1HB LYS 43 2HB LYS 43 -1.244 5.502 0.189
340 2HB LYS 43 1HB LYS 43 -1.976 6.934 -0.534
341 1HG LYS 43 2HG LYS 43 -3.786 4.658 -0.623
342 2HG LYS 43 1HG LYS 43 -3.288 5.024 1.029
343 1HD LYS 43 2HD LYS 43 -3.898 7.408 0.657
344 2HD LYS 43 1HD LYS 43 -4.472 6.986 -0.957
345 1HE LYS 43 2HE LYS 43 -6.482 6.499 -0.027
346 2HE LYS 43 1HE LYS 43 -5.700 5.141 0.811
347 1HZ LYS 43 3HZ LYS 43 -5.284 7.849 1.852
348 2HZ LYS 43 2HZ LYS 43 -6.780 7.103 2.158
349 3HZ LYS 43 1HZ LYS 43 -5.339 6.372 2.683
350 H LYS 44 H LYS 44 -3.695 3.872 -2.832
351 HA LYS 44 HA LYS 44 -5.067 6.209 -4.071
352 1HB LYS 44 2HB LYS 44 -3.535 4.085 -5.395
353 2HB LYS 44 1HB LYS 44 -5.174 4.244 -6.029
354 1HG LYS 44 2HG LYS 44 -4.811 6.379 -6.821
355 2HG LYS 44 1HG LYS 44 -3.620 6.752 -5.574
356 1HD LYS 44 2HD LYS 44 -1.920 5.498 -6.683
357 2HD LYS 44 1HD LYS 44 -3.086 4.741 -7.768
358 1HE LYS 44 2HE LYS 44 -3.068 7.703 -7.848
359 2HE LYS 44 1HE LYS 44 -1.601 6.920 -8.466
360 1HZ LYS 44 1HZ LYS 44 -4.299 5.945 -9.184
361 2HZ LYS 44 3HZ LYS 44 -3.543 7.173 -10.079
362 3HZ LYS 44 2HZ LYS 44 -2.822 5.638 -9.966
363 H THR 45 H THR 45 -7.280 5.992 -3.885
364 HA THR 45 HA THR 45 -8.358 3.264 -3.239
365 HB THR 45 HB THR 45 -8.906 5.997 -2.055
366 HG1 THR 45 HG1 THR 45 -8.529 3.710 -0.545
367 1HG2 THR 45 1HG2 THR 45 -11.010 4.569 -2.577
368 2HG2 THR 45 3HG2 THR 45 -10.418 3.496 -1.311
369 3HG2 THR 45 2HG2 THR 45 -10.812 5.171 -0.933
370 H ILE 46 H ILE 46 -10.550 2.898 -3.964
371 HA ILE 46 HA ILE 46 -11.450 4.765 -6.138
372 HB ILE 46 HB ILE 46 -10.733 2.599 -6.986
373 1HG1 ILE 46 2HG1 ILE 46 -13.417 1.739 -7.175
374 2HG1 ILE 46 1HG1 ILE 46 -13.484 3.497 -7.043
375 1HG2 ILE 46 1HG2 ILE 46 -12.216 1.665 -4.566
376 2HG2 ILE 46 3HG2 ILE 46 -12.210 0.608 -5.978
377 3HG2 ILE 46 2HG2 ILE 46 -10.687 1.094 -5.233
378 1HD1 ILE 46 3HD1 ILE 46 -11.331 2.733 -8.807
379 2HD1 ILE 46 2HD1 ILE 46 -12.837 1.983 -9.339
380 3HD1 ILE 46 1HD1 ILE 46 -12.742 3.733 -9.152
381 H TYR 47 H TYR 47 -12.215 5.508 -3.714
382 HA TYR 47 HA TYR 47 -14.805 4.216 -3.078
383 1HB TYR 47 2HB TYR 47 -14.452 5.058 -0.907
384 2HB TYR 47 1HB TYR 47 -12.829 4.668 -1.458
385 HD1 TYR 47 HD2 TYR 47 -11.370 6.521 -2.404
386 HD2 TYR 47 HD1 TYR 47 -15.075 7.287 -0.370
387 HE1 TYR 47 HE2 TYR 47 -10.694 8.882 -2.064
388 HE2 TYR 47 HE1 TYR 47 -14.398 9.647 -0.027
389 HH TYR 47 HH TYR 47 -11.195 10.742 -0.601
390 H GLU 48 H GLU 48 -16.382 5.981 -2.064
391 HA GLU 48 HA GLU 48 -17.253 7.665 -4.239
392 1HB GLU 48 2HB GLU 48 -18.743 6.600 -2.598
393 2HB GLU 48 1HB GLU 48 -18.011 7.553 -1.308
394 1HG GLU 48 2HG GLU 48 -19.563 9.134 -1.723
395 2HG GLU 48 1HG GLU 48 -18.737 9.433 -3.253
396 H ASN 49 H ASN 49 -17.321 9.278 -1.194
397 HA ASN 49 HA ASN 49 -14.889 10.810 -1.408
398 1HB ASN 49 2HB ASN 49 -15.750 11.622 -3.473
399 2HB ASN 49 1HB ASN 49 -17.376 11.800 -2.813
400 1HD2 ASN 49 2HD2 ASN 49 -16.790 15.093 -1.736
401 2HD2 ASN 49 1HD2 ASN 49 -17.911 13.873 -2.102
402 H GLU 50 H GLU 50 -18.353 11.058 -0.597
403 HA GLU 50 HA GLU 50 -17.647 11.810 2.175
404 1HB GLU 50 2HB GLU 50 -17.589 13.948 1.041
405 2HB GLU 50 1HB GLU 50 -19.101 13.598 0.203
406 1HG GLU 50 2HG GLU 50 -20.385 13.824 2.167
407 2HG GLU 50 1HG GLU 50 -18.978 13.635 3.214
408 H ARG 51 H ARG 51 -19.243 9.809 0.369
409 HA ARG 51 HA ARG 51 -21.748 9.891 2.006
410 1HB ARG 51 2HB ARG 51 -21.394 10.188 -0.774
411 2HB ARG 51 1HB ARG 51 -21.997 8.545 -0.554
412 1HG ARG 51 2HG ARG 51 -24.054 9.469 -0.392
413 2HG ARG 51 1HG ARG 51 -23.550 10.040 1.200
414 1HD ARG 51 2HD ARG 51 -23.619 12.185 0.478
415 2HD ARG 51 1HD ARG 51 -22.496 11.801 -0.842
416 HE ARG 51 HE ARG 51 -25.459 11.390 -1.009
417 1HH1 ARG 51 1HH2 ARG 51 -22.609 10.673 -2.602
418 2HH1 ARG 51 2HH2 ARG 51 -23.064 11.376 -4.118
419 1HH2 ARG 51 2HH1 ARG 51 -25.949 12.844 -2.874
420 2HH2 ARG 51 1HH1 ARG 51 -24.955 12.604 -4.272
421 H GLU 52 H GLU 52 -19.190 7.958 0.483
422 HA GLU 52 HA GLU 52 -19.582 5.828 2.443
423 1HB GLU 52 2HB GLU 52 -20.277 4.147 0.657
424 2HB GLU 52 1HB GLU 52 -21.502 5.339 1.092
425 1HG GLU 52 2HG GLU 52 -20.856 6.718 -0.852
426 2HG GLU 52 1HG GLU 52 -19.638 5.519 -1.293
427 H ILE 53 H ILE 53 -18.282 3.782 1.643
428 HA ILE 53 HA ILE 53 -15.841 4.703 0.170
429 HB ILE 53 HB ILE 53 -15.915 2.718 2.450
430 1HG1 ILE 53 2HG1 ILE 53 -16.875 4.870 3.224
431 2HG1 ILE 53 1HG1 ILE 53 -15.293 4.577 3.945
432 1HG2 ILE 53 2HG2 ILE 53 -13.748 4.464 1.242
433 2HG2 ILE 53 1HG2 ILE 53 -13.531 3.421 2.647
434 3HG2 ILE 53 3HG2 ILE 53 -13.894 2.714 1.072
435 1HD1 ILE 53 3HD1 ILE 53 -15.416 6.085 1.362
436 2HD1 ILE 53 2HD1 ILE 53 -15.870 6.926 2.845
437 3HD1 ILE 53 1HD1 ILE 53 -14.260 6.225 2.686
438 H LYS 54 H LYS 54 -15.442 3.416 -1.612
439 HA LYS 54 HA LYS 54 -16.938 0.853 -1.835
440 1HB LYS 54 2HB LYS 54 -15.998 2.978 -3.614
441 2HB LYS 54 1HB LYS 54 -15.748 1.359 -4.264
442 1HG LYS 54 2HG LYS 54 -17.918 1.595 -4.933
443 2HG LYS 54 1HG LYS 54 -18.256 1.088 -3.278
444 1HD LYS 54 2HD LYS 54 -19.398 3.030 -3.075
445 2HD LYS 54 1HD LYS 54 -17.819 3.814 -3.023
446 1HE LYS 54 2HE LYS 54 -18.138 4.761 -5.061
447 2HE LYS 54 1HE LYS 54 -18.656 3.216 -5.765
448 1HZ LYS 54 3HZ LYS 54 -20.802 3.483 -4.678
449 2HZ LYS 54 2HZ LYS 54 -20.313 4.978 -4.035
450 3HZ LYS 54 1HZ LYS 54 -20.494 4.791 -5.714
451 H GLY 55 H GLY 55 -13.604 1.940 -2.808
452 1HA GLY 55 2HA GLY 55 -12.658 -0.696 -1.795
453 2HA GLY 55 1HA GLY 55 -12.329 -0.282 -3.476
454 H TYR 56 H TYR 56 -10.817 -0.438 -0.654
455 HA TYR 56 HA TYR 56 -9.244 2.076 -1.073
456 1HB TYR 56 2HB TYR 56 -10.353 1.912 1.094
457 2HB TYR 56 1HB TYR 56 -9.683 0.300 1.347
458 HD1 TYR 56 HD1 TYR 56 -7.223 -0.002 1.655
459 HD2 TYR 56 HD2 TYR 56 -9.039 3.886 1.474
460 HE1 TYR 56 HE1 TYR 56 -5.178 0.998 2.637
461 HE2 TYR 56 HE2 TYR 56 -6.993 4.886 2.457
462 HH TYR 56 HH TYR 56 -5.086 4.169 3.851
463 H GLU 57 H GLU 57 -7.581 1.426 -2.444
464 HA GLU 57 HA GLU 57 -6.015 -0.996 -1.615
465 1HB GLU 57 2HB GLU 57 -5.578 -1.332 -3.964
466 2HB GLU 57 1HB GLU 57 -7.307 -1.019 -3.815
467 1HG GLU 57 2HG GLU 57 -7.013 1.289 -4.479
468 2HG GLU 57 1HG GLU 57 -5.259 1.123 -4.442
469 H TYR 58 H TYR 58 -3.628 -0.726 -2.545
470 HA TYR 58 HA TYR 58 -2.761 2.111 -2.541
471 1HB TYR 58 2HB TYR 58 -2.003 2.160 -0.417
472 2HB TYR 58 1HB TYR 58 -3.029 0.756 -0.171
473 HD1 TYR 58 HD2 TYR 58 -1.557 -1.430 -1.504
474 HD2 TYR 58 HD1 TYR 58 -0.056 1.858 0.815
475 HE1 TYR 58 HE2 TYR 58 0.412 -2.771 -0.851
476 HE2 TYR 58 HE1 TYR 58 1.908 0.513 1.460
477 HH TYR 58 HH TYR 58 2.852 -1.501 1.399
478 H GLN 59 H GLN 59 -0.456 2.380 -2.935
479 HA GLN 59 HA GLN 59 0.821 0.044 -4.311
480 1HB GLN 59 2HB GLN 59 0.194 1.396 -6.100
481 2HB GLN 59 1HB GLN 59 0.244 2.867 -5.133
482 1HG GLN 59 2HG GLN 59 2.516 3.161 -5.440
483 2HG GLN 59 1HG GLN 59 2.822 1.435 -5.629
484 1HE2 GLN 59 2HE2 GLN 59 3.182 2.725 -9.040
485 2HE2 GLN 59 1HE2 GLN 59 4.058 2.689 -7.586
486 H LEU 60 H LEU 60 2.729 -0.425 -3.245
487 HA LEU 60 HA LEU 60 4.124 1.822 -1.837
488 1HB LEU 60 2HB LEU 60 3.161 0.221 -0.302
489 2HB LEU 60 1HB LEU 60 3.818 -1.132 -1.218
490 HG LEU 60 HG LEU 60 6.100 0.256 -0.706
491 1HD1 LEU 60 1HD1 LEU 60 4.888 1.933 0.652
492 2HD1 LEU 60 3HD1 LEU 60 4.291 0.646 1.701
493 3HD1 LEU 60 2HD1 LEU 60 6.016 1.008 1.643
494 1HD2 LEU 60 3HD2 LEU 60 4.738 -1.740 1.136
495 2HD2 LEU 60 2HD2 LEU 60 5.708 -2.143 -0.279
496 3HD2 LEU 60 1HD2 LEU 60 6.465 -1.382 1.120
497 H TYR 61 H TYR 61 5.079 2.016 -4.145
498 HA TYR 61 HA TYR 61 6.872 -0.041 -5.113
499 1HB TYR 61 2HB TYR 61 6.008 1.505 -6.661
500 2HB TYR 61 1HB TYR 61 6.313 2.875 -5.597
501 HD1 TYR 61 HD2 TYR 61 8.901 0.305 -5.966
502 HD2 TYR 61 HD1 TYR 61 7.465 4.071 -7.447
503 HE1 TYR 61 HE2 TYR 61 11.081 0.699 -7.080
504 HE2 TYR 61 HE1 TYR 61 9.644 4.465 -8.561
505 HH TYR 61 HH TYR 61 11.578 3.466 -9.215
506 H VAL 62 H VAL 62 8.598 -0.640 -3.843
507 HA VAL 62 HA VAL 62 10.530 1.423 -2.972
508 HB VAL 62 HB VAL 62 10.303 0.657 -0.594
509 1HG1 VAL 62 3HG1 VAL 62 9.069 2.662 -1.621
510 2HG1 VAL 62 2HG1 VAL 62 7.645 1.625 -1.660
511 3HG1 VAL 62 1HG1 VAL 62 8.404 2.020 -0.126
512 1HG2 VAL 62 3HG2 VAL 62 8.209 -1.029 -1.900
513 2HG2 VAL 62 2HG2 VAL 62 9.309 -1.430 -0.580
514 3HG2 VAL 62 1HG2 VAL 62 7.892 -0.429 -0.272
515 H TYR 63 H TYR 63 12.009 -0.126 -1.236
516 HA TYR 63 HA TYR 63 12.478 -2.703 -2.667
517 1HB TYR 63 2HB TYR 63 13.938 -0.927 -3.598
518 2HB TYR 63 1HB TYR 63 14.568 -0.614 -1.980
519 HD1 TYR 63 HD2 TYR 63 13.702 -4.065 -2.802
520 HD2 TYR 63 HD1 TYR 63 16.850 -1.142 -2.859
521 HE1 TYR 63 HE2 TYR 63 15.375 -5.870 -3.100
522 HE2 TYR 63 HE1 TYR 63 18.522 -2.948 -3.160
523 HH TYR 63 HH TYR 63 18.369 -5.440 -4.190
524 H ALA 64 H ALA 64 12.773 -4.335 -1.215
525 HA ALA 64 HA ALA 64 13.570 -3.604 1.579
526 1HB ALA 64 3HB ALA 64 11.186 -4.187 1.297
527 2HB ALA 64 2HB ALA 64 11.653 -5.719 0.558
528 3HB ALA 64 1HB ALA 64 12.020 -5.410 2.254
529 H SER 65 H SER 65 13.270 -6.767 1.782
530 HA SER 65 HA SER 65 16.122 -7.306 1.332
531 1HB SER 65 2HB SER 65 15.479 -9.493 2.331
532 2HB SER 65 1HB SER 65 14.874 -8.147 3.292
533 HG SER 65 HG SER 65 13.513 -9.954 1.646
534 H ASP 66 H ASP 66 13.044 -7.962 -0.215
535 HA ASP 66 HA ASP 66 14.441 -8.974 -2.622
536 1HB ASP 66 2HB ASP 66 12.979 -10.588 -0.646
537 2HB ASP 66 1HB ASP 66 12.404 -10.823 -2.297
538 H LYS 67 H LYS 67 12.502 -6.767 -1.535
539 HA LYS 67 HA LYS 67 10.243 -7.141 -3.467
540 1HB LYS 67 2HB LYS 67 9.558 -6.699 -1.233
541 2HB LYS 67 1HB LYS 67 10.754 -5.417 -1.046
542 1HG LYS 67 2HG LYS 67 9.235 -4.697 -3.306
543 2HG LYS 67 1HG LYS 67 8.071 -5.248 -2.106
544 1HD LYS 67 2HD LYS 67 10.239 -3.189 -1.633
545 2HD LYS 67 1HD LYS 67 8.521 -2.847 -1.839
546 1HE LYS 67 2HE LYS 67 9.408 -4.788 0.287
547 2HE LYS 67 1HE LYS 67 9.451 -3.042 0.598
548 1HZ LYS 67 1HZ LYS 67 7.086 -3.342 -0.646
549 2HZ LYS 67 3HZ LYS 67 7.173 -4.788 0.236
550 3HZ LYS 67 2HZ LYS 67 7.276 -3.296 1.040
551 H LEU 68 H LEU 68 11.963 -6.603 -5.155
552 HA LEU 68 HA LEU 68 12.849 -3.787 -5.320
553 1HB LEU 68 2HB LEU 68 13.579 -6.317 -6.383
554 2HB LEU 68 1HB LEU 68 13.079 -5.324 -7.753
555 HG LEU 68 HG LEU 68 14.599 -3.589 -6.190
556 1HD1 LEU 68 2HD1 LEU 68 15.267 -5.907 -5.091
557 2HD1 LEU 68 1HD1 LEU 68 16.285 -6.044 -6.526
558 3HD1 LEU 68 3HD1 LEU 68 16.496 -4.685 -5.420
559 1HD2 LEU 68 2HD2 LEU 68 14.749 -4.965 -8.775
560 2HD2 LEU 68 1HD2 LEU 68 15.136 -3.292 -8.372
561 3HD2 LEU 68 3HD2 LEU 68 16.337 -4.559 -8.123
562 H PHE 69 H PHE 69 10.283 -3.378 -5.119
563 HA PHE 69 HA PHE 69 9.410 -2.332 -7.614
564 1HB PHE 69 2HB PHE 69 7.575 -4.153 -7.932
565 2HB PHE 69 1HB PHE 69 9.198 -4.518 -8.454
566 HD1 PHE 69 HD1 PHE 69 7.750 -4.510 -4.985
567 HD2 PHE 69 HD2 PHE 69 9.478 -6.799 -8.183
568 HE1 PHE 69 HE1 PHE 69 7.808 -6.509 -3.526
569 HE2 PHE 69 HE2 PHE 69 9.536 -8.798 -6.721
570 HZ PHE 69 HZ PHE 69 8.701 -8.654 -4.394
571 H ARG 70 H ARG 70 6.547 -3.563 -6.667
572 HA ARG 70 HA ARG 70 6.217 -1.592 -4.439
573 1HB ARG 70 2HB ARG 70 5.434 -0.583 -6.481
574 2HB ARG 70 1HB ARG 70 4.570 -2.050 -6.933
575 1HG ARG 70 2HG ARG 70 3.321 -1.634 -4.603
576 2HG ARG 70 1HG ARG 70 3.823 0.032 -4.893
577 1HD ARG 70 2HD ARG 70 2.077 -1.714 -6.649
578 2HD ARG 70 1HD ARG 70 1.696 -0.129 -5.949
579 HE ARG 70 HE ARG 70 3.809 0.577 -7.412
580 1HH1 ARG 70 2HH1 ARG 70 4.489 -0.790 -9.449
581 2HH1 ARG 70 1HH1 ARG 70 3.193 -0.929 -10.589
582 1HH2 ARG 70 1HH2 ARG 70 0.746 0.028 -8.325
583 2HH2 ARG 70 2HH2 ARG 70 1.073 -0.465 -9.953
584 H ALA 71 H ALA 71 5.271 -2.473 -2.700
585 HA ALA 71 HA ALA 71 3.947 -5.107 -2.880
586 1HB ALA 71 3HB ALA 71 5.504 -4.269 -1.007
587 2HB ALA 71 2HB ALA 71 4.187 -3.199 -0.528
588 3HB ALA 71 1HB ALA 71 3.968 -4.948 -0.469
589 H ASP 72 H ASP 72 1.945 -4.782 -3.940
590 HA ASP 72 HA ASP 72 0.372 -2.354 -3.411
591 1HB ASP 72 2HB ASP 72 0.516 -4.568 -5.321
592 2HB ASP 72 1HB ASP 72 -1.144 -4.132 -4.915
593 H ILE 73 H ILE 73 -2.066 -2.736 -2.980
594 HA ILE 73 HA ILE 73 -2.843 -5.101 -1.501
595 HB ILE 73 HB ILE 73 -1.211 -3.491 -0.085
596 1HG1 ILE 73 2HG1 ILE 73 -2.236 -5.675 0.586
597 2HG1 ILE 73 1HG1 ILE 73 -2.137 -4.516 1.911
598 1HG2 ILE 73 3HG2 ILE 73 -3.017 -1.630 -0.387
599 2HG2 ILE 73 2HG2 ILE 73 -3.910 -2.522 0.840
600 3HG2 ILE 73 1HG2 ILE 73 -2.315 -1.869 1.210
601 1HD1 ILE 73 2HD1 ILE 73 -4.525 -3.836 1.313
602 2HD1 ILE 73 1HD1 ILE 73 -4.572 -5.262 0.278
603 3HD1 ILE 73 3HD1 ILE 73 -4.339 -5.441 2.018
604 H SER 74 H SER 74 -5.044 -5.227 -1.638
605 HA SER 74 HA SER 74 -6.531 -2.673 -2.157
606 1HB SER 74 2HB SER 74 -6.108 -4.641 -3.936
607 2HB SER 74 1HB SER 74 -7.508 -5.337 -3.124
608 HG SER 74 HG SER 74 -8.737 -3.781 -3.894
609 H GLU 75 H GLU 75 -8.825 -2.737 -1.322
610 HA GLU 75 HA GLU 75 -9.448 -4.910 0.606
611 1HB GLU 75 2HB GLU 75 -8.338 -2.299 1.254
612 2HB GLU 75 1HB GLU 75 -9.877 -2.573 2.071
613 1HG GLU 75 2HG GLU 75 -9.011 -4.794 2.844
614 2HG GLU 75 1HG GLU 75 -7.446 -4.385 2.139
615 H ASP 76 H ASP 76 -11.489 -5.411 -0.176
616 HA ASP 76 HA ASP 76 -13.372 -3.864 -1.505
617 1HB ASP 76 2HB ASP 76 -14.808 -5.607 -0.961
618 2HB ASP 76 1HB ASP 76 -13.284 -6.343 -0.476
619 H TYR 77 H TYR 77 -15.483 -2.836 -0.579
620 HA TYR 77 HA TYR 77 -15.209 -1.795 2.177
621 1HB TYR 77 2HB TYR 77 -13.964 -0.464 0.089
622 2HB TYR 77 1HB TYR 77 -15.479 0.418 0.281
623 HD1 TYR 77 HD1 TYR 77 -16.088 0.334 3.079
624 HD2 TYR 77 HD2 TYR 77 -12.246 0.671 1.187
625 HE1 TYR 77 HE1 TYR 77 -15.183 1.434 5.110
626 HE2 TYR 77 HE2 TYR 77 -11.341 1.771 3.217
627 HH TYR 77 HH TYR 77 -11.896 2.748 5.178
628 H LYS 78 H LYS 78 -16.913 -0.990 -0.895
629 HA LYS 78 HA LYS 78 -19.476 -1.375 0.598
630 1HB LYS 78 2HB LYS 78 -19.070 1.006 0.552
631 2HB LYS 78 1HB LYS 78 -18.631 0.948 -1.155
632 1HG LYS 78 2HG LYS 78 -20.943 1.789 -0.823
633 2HG LYS 78 1HG LYS 78 -20.914 0.287 -1.748
634 1HD LYS 78 2HD LYS 78 -21.654 -0.999 0.093
635 2HD LYS 78 1HD LYS 78 -21.249 0.269 1.250
636 1HE LYS 78 2HE LYS 78 -23.460 0.826 1.124
637 2HE LYS 78 1HE LYS 78 -23.048 1.536 -0.449
638 1HZ LYS 78 2HZ LYS 78 -23.676 -1.340 -0.073
639 2HZ LYS 78 1HZ LYS 78 -24.842 -0.190 -0.525
640 3HZ LYS 78 3HZ LYS 78 -23.519 -0.499 -1.540
641 H THR 79 H THR 79 -17.794 -1.184 -2.506
642 HA THR 79 HA THR 79 -20.053 -2.274 -4.014
643 HB THR 79 HB THR 79 -17.093 -2.256 -4.705
644 HG1 THR 79 HG1 THR 79 -18.975 -0.205 -4.539
645 1HG2 THR 79 1HG2 THR 79 -19.503 -2.984 -6.090
646 2HG2 THR 79 3HG2 THR 79 -18.777 -1.587 -6.885
647 3HG2 THR 79 2HG2 THR 79 -17.837 -3.062 -6.663
648 H ARG 80 H ARG 80 -16.826 -3.467 -3.237
649 HA ARG 80 HA ARG 80 -17.104 -5.709 -1.795
650 1HB ARG 80 2HB ARG 80 -17.670 -7.583 -3.252
651 2HB ARG 80 1HB ARG 80 -18.957 -6.409 -3.361
652 1HG ARG 80 2HG ARG 80 -16.766 -5.999 -5.301
653 2HG ARG 80 1HG ARG 80 -17.643 -7.507 -5.514
654 1HD ARG 80 2HD ARG 80 -18.720 -4.684 -5.653
655 2HD ARG 80 1HD ARG 80 -18.846 -5.974 -6.860
656 HE ARG 80 HE ARG 80 -20.397 -5.821 -4.333
657 1HH1 ARG 80 2HH1 ARG 80 -19.220 -8.425 -5.903
658 2HH1 ARG 80 1HH1 ARG 80 -20.730 -9.034 -6.494
659 1HH2 ARG 80 1HH2 ARG 80 -22.508 -6.172 -5.678
660 2HH2 ARG 80 2HH2 ARG 80 -22.590 -7.760 -6.366
661 H GLY 81 H GLY 81 -14.953 -4.079 -2.545
662 1HA GLY 81 2HA GLY 81 -13.234 -5.271 -4.511
663 2HA GLY 81 1HA GLY 81 -12.683 -4.254 -3.175
664 H ARG 82 H ARG 82 -11.016 -5.511 -2.272
665 HA ARG 82 HA ARG 82 -11.810 -7.835 -0.735
666 1HB ARG 82 2HB ARG 82 -10.777 -9.541 -2.056
667 2HB ARG 82 1HB ARG 82 -11.780 -8.598 -3.158
668 1HG ARG 82 2HG ARG 82 -9.849 -7.347 -3.935
669 2HG ARG 82 1HG ARG 82 -8.816 -8.128 -2.737
670 1HD ARG 82 2HD ARG 82 -10.224 -9.495 -5.060
671 2HD ARG 82 1HD ARG 82 -8.476 -9.256 -4.872
672 HE ARG 82 HE ARG 82 -8.519 -10.800 -2.975
673 1HH1 ARG 82 1HH2 ARG 82 -10.420 -11.467 -1.449
674 2HH1 ARG 82 2HH2 ARG 82 -11.587 -12.459 -2.257
675 1HH2 ARG 82 2HH1 ARG 82 -10.478 -11.636 -5.437
676 2HH2 ARG 82 1HH1 ARG 82 -11.621 -12.555 -4.516
677 H LYS 83 H LYS 83 -9.788 -8.975 0.162
678 HA LYS 83 HA LYS 83 -7.727 -6.913 0.794
679 1HB LYS 83 2HB LYS 83 -9.217 -8.756 2.281
680 2HB LYS 83 1HB LYS 83 -7.613 -9.485 2.187
681 1HG LYS 83 2HG LYS 83 -6.607 -7.765 3.355
682 2HG LYS 83 1HG LYS 83 -7.783 -6.568 2.812
683 1HD LYS 83 2HD LYS 83 -8.511 -6.818 4.985
684 2HD LYS 83 1HD LYS 83 -9.439 -8.118 4.235
685 1HE LYS 83 2HE LYS 83 -7.524 -9.688 4.795
686 2HE LYS 83 1HE LYS 83 -6.826 -8.370 5.759
687 1HZ LYS 83 2HZ LYS 83 -9.600 -9.401 6.051
688 2HZ LYS 83 1HZ LYS 83 -8.308 -9.807 7.077
689 3HZ LYS 83 3HZ LYS 83 -8.862 -8.206 7.006
690 H LEU 84 H LEU 84 -5.717 -7.130 -0.171
691 HA LEU 84 HA LEU 84 -4.528 -9.724 -0.733
692 1HB LEU 84 2HB LEU 84 -6.474 -9.000 -2.475
693 2HB LEU 84 1HB LEU 84 -5.099 -8.193 -3.227
694 HG LEU 84 HG LEU 84 -3.885 -10.270 -3.400
695 1HD1 LEU 84 2HD1 LEU 84 -6.078 -11.272 -1.604
696 2HD1 LEU 84 1HD1 LEU 84 -5.226 -12.399 -2.660
697 3HD1 LEU 84 3HD1 LEU 84 -4.334 -11.481 -1.447
698 1HD2 LEU 84 3HD2 LEU 84 -6.707 -10.163 -4.357
699 2HD2 LEU 84 2HD2 LEU 84 -5.208 -10.239 -5.285
700 3HD2 LEU 84 1HD2 LEU 84 -5.855 -11.697 -4.534
701 H LEU 85 H LEU 85 -2.693 -9.084 -2.638
702 HA LEU 85 HA LEU 85 -1.640 -6.405 -2.428
703 1HB LEU 85 2HB LEU 85 -0.336 -6.594 -0.566
704 2HB LEU 85 1HB LEU 85 -1.324 -7.993 -0.186
705 HG LEU 85 HG LEU 85 1.147 -8.230 -1.908
706 1HD1 LEU 85 3HD1 LEU 85 1.016 -7.507 0.856
707 2HD1 LEU 85 2HD1 LEU 85 1.624 -9.156 0.742
708 3HD1 LEU 85 1HD1 LEU 85 2.442 -7.850 -0.116
709 1HD2 LEU 85 2HD2 LEU 85 -0.924 -9.989 -1.007
710 2HD2 LEU 85 1HD2 LEU 85 0.501 -10.393 -1.963
711 3HD2 LEU 85 3HD2 LEU 85 0.573 -10.460 -0.202
712 H ARG 86 H ARG 86 0.600 -6.316 -3.477
713 HA ARG 86 HA ARG 86 1.242 -8.722 -5.112
714 1HB ARG 86 2HB ARG 86 0.929 -6.009 -6.395
715 2HB ARG 86 1HB ARG 86 0.920 -7.595 -7.163
716 1HG ARG 86 2HG ARG 86 -1.201 -8.044 -5.741
717 2HG ARG 86 1HG ARG 86 -1.251 -6.294 -5.524
718 1HD ARG 86 2HD ARG 86 -0.782 -6.749 -8.292
719 2HD ARG 86 1HD ARG 86 -2.112 -7.820 -7.805
720 HE ARG 86 HE ARG 86 -2.129 -4.867 -7.642
721 1HH1 ARG 86 2HH1 ARG 86 -3.179 -7.010 -5.415
722 2HH1 ARG 86 1HH1 ARG 86 -4.877 -6.746 -5.636
723 1HH2 ARG 86 1HH2 ARG 86 -4.481 -4.898 -8.544
724 2HH2 ARG 86 2HH2 ARG 86 -5.614 -5.549 -7.407
725 H PHE 87 H PHE 87 3.404 -8.831 -5.680
726 HA PHE 87 HA PHE 87 5.215 -6.646 -4.669
727 1HB PHE 87 2HB PHE 87 5.932 -9.552 -5.107
728 2HB PHE 87 1HB PHE 87 6.680 -8.389 -4.013
729 HD1 PHE 87 HD2 PHE 87 3.574 -10.358 -4.620
730 HD2 PHE 87 HD1 PHE 87 5.875 -8.091 -1.782
731 HE1 PHE 87 HE2 PHE 87 2.033 -11.052 -2.807
732 HE2 PHE 87 HE1 PHE 87 4.326 -8.788 0.025
733 HZ PHE 87 HZ PHE 87 2.404 -10.256 -0.508
734 H ASN 88 H ASN 88 4.724 -5.728 -6.984
735 HA ASN 88 HA ASN 88 6.904 -6.618 -8.744
736 1HB ASN 88 2HB ASN 88 5.013 -6.765 -10.619
737 2HB ASN 88 1HB ASN 88 5.518 -8.161 -9.675
738 1HD2 ASN 88 2HD2 ASN 88 2.307 -8.599 -8.295
739 2HD2 ASN 88 1HD2 ASN 88 3.824 -9.266 -8.664
740 H GLY 89 H GLY 89 6.128 -5.412 -11.111
741 1HA GLY 89 2HA GLY 89 5.960 -3.281 -12.123
742 2HA GLY 89 1HA GLY 89 5.173 -2.696 -10.641
743 HA PRO 90 HA PRO 90 9.699 -3.061 -9.285
744 1HB PRO 90 2HB PRO 90 11.538 -3.964 -11.110
745 2HB PRO 90 1HB PRO 90 10.642 -5.023 -9.999
746 1HG PRO 90 2HG PRO 90 10.077 -4.380 -12.862
747 2HG PRO 90 1HG PRO 90 10.022 -5.943 -12.027
748 1HD PRO 90 2HD PRO 90 7.787 -4.550 -12.548
749 2HD PRO 90 1HD PRO 90 7.969 -5.508 -11.060
750 H VAL 91 HN VAL 91 11.992 -2.099 -10.103
751 HA VAL 91 HA VAL 91 11.353 0.321 -11.754
752 HB VAL 91 HB VAL 91 11.580 1.008 -9.505
753 1HG1 VAL 91 3HG1 VAL 91 13.657 -1.165 -9.376
754 2HG1 VAL 91 2HG1 VAL 91 13.680 0.141 -8.192
755 3HG1 VAL 91 1HG1 VAL 91 12.262 -0.898 -8.330
756 1HG2 VAL 91 2HG2 VAL 91 13.160 2.158 -11.138
757 2HG2 VAL 91 1HG2 VAL 91 13.607 2.287 -9.437
758 3HG2 VAL 91 3HG2 VAL 91 14.441 1.138 -10.483
No H/Q in entry = 758
Start of MODEL 2
1 1H GLY 1 3H GLY 1 -12.497 10.243 -4.932
2 2H GLY 1 2H GLY 1 -13.331 9.762 -6.332
3 3H GLY 1 1H GLY 1 -13.162 8.685 -5.028
4 1HA GLY 1 2HA GLY 1 -11.217 7.953 -5.757
5 2HA GLY 1 1HA GLY 1 -11.520 8.883 -7.225
6 H GLU 2 H GLU 2 -9.396 8.514 -4.666
7 HA GLU 2 HA GLU 2 -8.241 11.238 -5.166
8 1HB GLU 2 2HB GLU 2 -9.456 10.518 -2.881
9 2HB GLU 2 1HB GLU 2 -7.857 9.851 -2.549
10 1HG GLU 2 2HG GLU 2 -8.037 12.176 -1.732
11 2HG GLU 2 1HG GLU 2 -6.835 12.043 -3.017
12 H TRP 3 H TRP 3 -5.826 11.212 -4.407
13 HA TRP 3 HA TRP 3 -4.468 8.613 -4.539
14 1HB TRP 3 2HB TRP 3 -3.364 9.087 -6.673
15 2HB TRP 3 1HB TRP 3 -5.113 9.151 -6.895
16 HD1 TRP 3 HD1 TRP 3 -6.242 11.552 -7.160
17 HE1 TRP 3 HE1 TRP 3 -5.272 13.823 -7.907
18 HE3 TRP 3 HE3 TRP 3 -1.255 10.591 -6.642
19 HZ2 TRP 3 HZ2 TRP 3 -2.716 15.065 -8.237
20 HZ3 TRP 3 HZ3 TRP 3 0.424 12.333 -7.177
21 HH2 TRP 3 HH2 TRP 3 -0.299 14.567 -7.973
22 H GLU 4 H GLU 4 -2.257 8.809 -3.889
23 HA GLU 4 HA GLU 4 -0.829 11.304 -3.756
24 1HB GLU 4 2HB GLU 4 -1.157 11.873 -1.450
25 2HB GLU 4 1HB GLU 4 -2.766 11.588 -2.113
26 1HG GLU 4 2HG GLU 4 -3.111 9.992 -0.574
27 2HG GLU 4 1HG GLU 4 -1.746 9.080 -1.217
28 H ILE 5 H ILE 5 1.257 11.031 -2.635
29 HA ILE 5 HA ILE 5 2.127 8.208 -2.581
30 HB ILE 5 HB ILE 5 4.351 9.346 -2.576
31 1HG1 ILE 5 2HG1 ILE 5 3.099 11.972 -3.105
32 2HG1 ILE 5 1HG1 ILE 5 3.047 11.430 -1.427
33 1HG2 ILE 5 2HG2 ILE 5 2.827 8.910 -4.658
34 2HG2 ILE 5 1HG2 ILE 5 2.665 10.665 -4.676
35 3HG2 ILE 5 3HG2 ILE 5 4.258 9.925 -4.837
36 1HD1 ILE 5 3HD1 ILE 5 5.588 11.383 -3.065
37 2HD1 ILE 5 2HD1 ILE 5 5.111 12.778 -2.098
38 3HD1 ILE 5 1HD1 ILE 5 5.423 11.228 -1.316
39 H ILE 6 H ILE 6 4.091 8.067 -0.809
40 HA ILE 6 HA ILE 6 2.782 8.698 1.803
41 HB ILE 6 HB ILE 6 3.729 6.726 2.591
42 1HG1 ILE 6 2HG1 ILE 6 6.065 7.251 2.213
43 2HG1 ILE 6 1HG1 ILE 6 5.740 5.652 1.553
44 1HG2 ILE 6 1HG2 ILE 6 3.494 6.327 -0.401
45 2HG2 ILE 6 3HG2 ILE 6 3.587 5.018 0.772
46 3HG2 ILE 6 2HG2 ILE 6 2.215 6.123 0.795
47 1HD1 ILE 6 2HD1 ILE 6 5.796 8.215 -0.065
48 2HD1 ILE 6 1HD1 ILE 6 7.101 7.032 0.005
49 3HD1 ILE 6 3HD1 ILE 6 5.548 6.590 -0.700
50 H ASP 7 H ASP 7 5.003 8.498 3.494
51 HA ASP 7 HA ASP 7 6.895 10.598 2.518
52 1HB ASP 7 2HB ASP 7 4.868 11.487 3.793
53 2HB ASP 7 1HB ASP 7 5.514 10.661 5.211
54 H ILE 8 H ILE 8 7.683 7.980 2.696
55 HA ILE 8 HA ILE 8 9.084 6.441 3.816
56 HB ILE 8 HB ILE 8 10.328 8.647 3.028
57 1HG1 ILE 8 2HG1 ILE 8 11.523 6.578 4.891
58 2HG1 ILE 8 1HG1 ILE 8 11.340 6.428 3.144
59 1HG2 ILE 8 3HG2 ILE 8 9.819 9.328 5.707
60 2HG2 ILE 8 2HG2 ILE 8 11.513 8.856 5.674
61 3HG2 ILE 8 1HG2 ILE 8 10.933 10.136 4.610
62 1HD1 ILE 8 1HD1 ILE 8 12.678 8.888 3.620
63 2HD1 ILE 8 3HD1 ILE 8 13.474 7.670 4.617
64 3HD1 ILE 8 2HD1 ILE 8 13.336 7.431 2.875
65 H GLY 9 H GLY 9 6.828 7.107 5.359
66 1HA GLY 9 2HA GLY 9 7.952 6.676 8.073
67 2HA GLY 9 1HA GLY 9 6.856 8.038 7.873
68 HA PRO 10 HA PRO 10 3.413 5.429 8.353
69 1HB PRO 10 2HB PRO 10 1.660 6.168 6.388
70 2HB PRO 10 1HB PRO 10 2.040 7.189 7.789
71 1HG PRO 10 2HG PRO 10 2.993 7.388 4.991
72 2HG PRO 10 1HG PRO 10 2.658 8.666 6.167
73 1HD PRO 10 2HD PRO 10 5.172 7.742 5.500
74 2HD PRO 10 1HD PRO 10 4.776 8.613 6.994
75 H PHE 11 H PHE 11 2.850 5.524 4.879
76 HA PHE 11 HA PHE 11 2.229 2.907 4.393
77 1HB PHE 11 2HB PHE 11 3.864 4.889 2.807
78 2HB PHE 11 1HB PHE 11 3.365 3.343 2.122
79 HD1 PHE 11 HD1 PHE 11 2.148 6.554 3.529
80 HD2 PHE 11 HD2 PHE 11 1.070 2.903 1.537
81 HE1 PHE 11 HE1 PHE 11 -0.104 7.473 3.065
82 HE2 PHE 11 HE2 PHE 11 -1.184 3.825 1.073
83 HZ PHE 11 HZ PHE 11 -1.770 6.110 1.839
84 H THR 12 H THR 12 5.457 4.112 5.119
85 HA THR 12 HA THR 12 7.021 1.905 4.248
86 HB THR 12 HB THR 12 8.643 2.885 5.712
87 HG1 THR 12 HG1 THR 12 7.582 4.563 7.230
88 1HG2 THR 12 3HG2 THR 12 7.556 4.355 3.843
89 2HG2 THR 12 2HG2 THR 12 6.890 5.259 5.201
90 3HG2 THR 12 1HG2 THR 12 8.636 5.111 5.014
91 H GLN 13 H GLN 13 5.801 2.675 7.506
92 HA GLN 13 HA GLN 13 6.392 0.148 8.689
93 1HB GLN 13 2HB GLN 13 5.158 0.995 10.509
94 2HB GLN 13 1HB GLN 13 5.650 2.463 9.667
95 1HG GLN 13 2HG GLN 13 3.377 2.113 8.365
96 2HG GLN 13 1HG GLN 13 2.948 1.162 9.786
97 1HE2 GLN 13 2HE2 GLN 13 1.957 4.182 11.325
98 2HE2 GLN 13 1HE2 GLN 13 1.497 2.635 10.799
99 H ASN 14 H ASN 14 4.019 1.043 6.410
100 HA ASN 14 HA ASN 14 2.040 -0.993 7.023
101 1HB ASN 14 2HB ASN 14 2.474 1.214 5.201
102 2HB ASN 14 1HB ASN 14 1.838 -0.187 4.338
103 1HD2 ASN 14 2HD2 ASN 14 -1.213 -0.242 6.335
104 2HD2 ASN 14 1HD2 ASN 14 -0.067 -1.317 5.691
105 H LEU 15 H LEU 15 4.245 -0.609 4.272
106 HA LEU 15 HA LEU 15 3.972 -3.068 3.031
107 1HB LEU 15 2HB LEU 15 6.056 -2.591 2.056
108 2HB LEU 15 1HB LEU 15 5.529 -1.004 2.607
109 HG LEU 15 HG LEU 15 6.815 -1.601 4.795
110 1HD1 LEU 15 2HD1 LEU 15 7.283 -3.931 3.217
111 2HD1 LEU 15 1HD1 LEU 15 8.819 -3.082 3.390
112 3HD1 LEU 15 3HD1 LEU 15 7.911 -3.563 4.823
113 1HD2 LEU 15 1HD2 LEU 15 7.633 -0.482 2.242
114 2HD2 LEU 15 3HD2 LEU 15 8.040 0.054 3.872
115 3HD2 LEU 15 2HD2 LEU 15 9.007 -1.195 3.088
116 H GLY 16 H GLY 16 5.710 -2.358 6.031
117 1HA GLY 16 2HA GLY 16 6.979 -4.908 6.332
118 2HA GLY 16 1HA GLY 16 6.590 -3.809 7.660
119 H LYS 17 H LYS 17 3.934 -3.659 7.742
120 HA LYS 17 HA LYS 17 3.095 -6.247 8.734
121 1HB LYS 17 2HB LYS 17 2.254 -3.470 8.709
122 2HB LYS 17 1HB LYS 17 0.882 -4.549 8.458
123 1HG LYS 17 2HG LYS 17 1.078 -5.512 10.542
124 2HG LYS 17 1HG LYS 17 2.828 -5.293 10.592
125 1HD LYS 17 2HD LYS 17 1.769 -2.693 10.507
126 2HD LYS 17 1HD LYS 17 0.744 -3.572 11.642
127 1HE LYS 17 2HE LYS 17 3.047 -4.459 12.588
128 2HE LYS 17 1HE LYS 17 3.688 -2.997 11.812
129 1HZ LYS 17 1HZ LYS 17 1.652 -1.875 12.889
130 2HZ LYS 17 3HZ LYS 17 1.638 -3.221 13.921
131 3HZ LYS 17 2HZ LYS 17 3.003 -2.210 13.863
132 H PHE 18 H PHE 18 1.551 -4.195 6.315
133 HA PHE 18 HA PHE 18 -0.205 -5.919 5.098
134 1HB PHE 18 2HB PHE 18 1.511 -3.666 4.232
135 2HB PHE 18 1HB PHE 18 0.800 -4.628 2.936
136 HD1 PHE 18 HD2 PHE 18 -0.786 -4.248 6.245
137 HD2 PHE 18 HD1 PHE 18 -0.732 -2.903 2.166
138 HE1 PHE 18 HE2 PHE 18 -2.963 -3.111 6.591
139 HE2 PHE 18 HE1 PHE 18 -2.909 -1.765 2.513
140 HZ PHE 18 HZ PHE 18 -4.025 -1.871 4.725
141 H ALA 19 H ALA 19 2.878 -5.402 3.491
142 HA ALA 19 HA ALA 19 3.010 -7.568 1.815
143 1HB ALA 19 2HB ALA 19 4.698 -5.672 2.367
144 2HB ALA 19 1HB ALA 19 5.364 -6.807 3.541
145 3HB ALA 19 3HB ALA 19 5.352 -7.219 1.827
146 H VAL 20 H VAL 20 4.650 -7.754 5.003
147 HA VAL 20 HA VAL 20 5.085 -10.476 5.172
148 HB VAL 20 HB VAL 20 4.276 -8.356 7.143
149 1HG1 VAL 20 1HG1 VAL 20 4.204 -11.270 7.575
150 2HG1 VAL 20 3HG1 VAL 20 5.210 -10.399 8.733
151 3HG1 VAL 20 2HG1 VAL 20 3.509 -9.973 8.547
152 1HG2 VAL 20 3HG2 VAL 20 6.579 -8.571 6.047
153 2HG2 VAL 20 2HG2 VAL 20 6.564 -8.494 7.808
154 3HG2 VAL 20 1HG2 VAL 20 6.781 -10.043 6.995
155 H ASP 21 H ASP 21 1.977 -8.843 5.314
156 HA ASP 21 HA ASP 21 0.588 -11.341 6.134
157 1HB ASP 21 2HB ASP 21 -0.114 -8.428 5.786
158 2HB ASP 21 1HB ASP 21 -1.390 -9.640 5.921
159 H GLU 22 H GLU 22 -0.063 -8.883 3.576
160 HA GLU 22 HA GLU 22 -1.548 -10.681 1.939
161 1HB GLU 22 2HB GLU 22 0.120 -8.294 1.082
162 2HB GLU 22 1HB GLU 22 -1.280 -8.953 0.234
163 1HG GLU 22 2HG GLU 22 -1.722 -8.230 3.077
164 2HG GLU 22 1HG GLU 22 -1.450 -6.882 1.973
165 H GLU 23 H GLU 23 1.866 -10.209 2.334
166 HA GLU 23 HA GLU 23 2.636 -11.700 -0.067
167 1HB GLU 23 2HB GLU 23 3.930 -9.911 1.362
168 2HB GLU 23 1HB GLU 23 4.345 -11.289 2.381
169 1HG GLU 23 2HG GLU 23 4.718 -11.995 -0.388
170 2HG GLU 23 1HG GLU 23 5.595 -10.506 -0.033
171 H ASN 24 H ASN 24 3.005 -12.417 3.441
172 HA ASN 24 HA ASN 24 3.513 -15.193 3.130
173 1HB ASN 24 2HB ASN 24 3.557 -13.624 5.210
174 2HB ASN 24 1HB ASN 24 1.838 -13.992 5.348
175 1HD2 ASN 24 2HD2 ASN 24 4.164 -16.534 7.123
176 2HD2 ASN 24 1HD2 ASN 24 4.334 -14.850 7.005
177 H LYS 25 H LYS 25 0.452 -13.395 3.423
178 HA LYS 25 HA LYS 25 -1.354 -15.576 3.348
179 1HB LYS 25 2HB LYS 25 -1.829 -13.134 3.762
180 2HB LYS 25 1HB LYS 25 -1.635 -12.867 2.028
181 1HG LYS 25 2HG LYS 25 -4.032 -13.195 2.804
182 2HG LYS 25 1HG LYS 25 -3.507 -14.277 1.513
183 1HD LYS 25 2HD LYS 25 -3.315 -16.119 2.961
184 2HD LYS 25 1HD LYS 25 -3.230 -15.098 4.397
185 1HE LYS 25 2HE LYS 25 -5.441 -15.946 4.469
186 2HE LYS 25 1HE LYS 25 -5.653 -14.358 3.703
187 1HZ LYS 25 3HZ LYS 25 -5.124 -15.667 1.552
188 2HZ LYS 25 2HZ LYS 25 -5.600 -17.025 2.454
189 3HZ LYS 25 1HZ LYS 25 -6.689 -15.747 2.200
190 H ILE 26 H ILE 26 -0.321 -13.555 0.623
191 HA ILE 26 HA ILE 26 -1.392 -15.150 -1.454
192 HB ILE 26 HB ILE 26 -0.214 -12.783 -1.358
193 1HG1 ILE 26 2HG1 ILE 26 -1.370 -13.454 -3.324
194 2HG1 ILE 26 1HG1 ILE 26 0.246 -12.991 -3.853
195 1HG2 ILE 26 3HG2 ILE 26 2.038 -14.414 -1.092
196 2HG2 ILE 26 2HG2 ILE 26 2.062 -13.911 -2.778
197 3HG2 ILE 26 1HG2 ILE 26 2.032 -12.702 -1.499
198 1HD1 ILE 26 3HD1 ILE 26 0.878 -15.456 -3.619
199 2HD1 ILE 26 2HD1 ILE 26 -0.848 -15.783 -3.462
200 3HD1 ILE 26 1HD1 ILE 26 -0.218 -15.062 -4.943
201 H GLY 27 H GLY 27 1.312 -15.714 0.597
202 1HA GLY 27 2HA GLY 27 2.541 -17.729 0.826
203 2HA GLY 27 1HA GLY 27 1.717 -18.354 -0.603
204 H GLN 28 H GLN 28 3.985 -15.675 0.137
205 HA GLN 28 HA GLN 28 5.517 -16.477 -2.317
206 1HB GLN 28 2HB GLN 28 4.178 -14.145 -1.831
207 2HB GLN 28 1HB GLN 28 5.781 -13.738 -1.220
208 1HG GLN 28 2HG GLN 28 6.625 -14.799 -3.458
209 2HG GLN 28 1HG GLN 28 4.969 -14.531 -4.006
210 1HE2 GLN 28 2HE2 GLN 28 6.931 -11.114 -2.820
211 2HE2 GLN 28 1HE2 GLN 28 7.022 -12.500 -1.846
212 H TYR 29 H TYR 29 5.807 -15.004 0.926
213 HA TYR 29 HA TYR 29 8.467 -16.314 1.216
214 1HB TYR 29 2HB TYR 29 8.015 -13.605 0.664
215 2HB TYR 29 1HB TYR 29 8.367 -13.663 2.391
216 HD1 TYR 29 HD1 TYR 29 9.605 -15.923 -0.306
217 HD2 TYR 29 HD2 TYR 29 10.580 -12.852 2.533
218 HE1 TYR 29 HE1 TYR 29 12.017 -16.224 -0.809
219 HE2 TYR 29 HE2 TYR 29 12.991 -13.152 2.031
220 HH TYR 29 HH TYR 29 14.325 -14.060 -0.094
221 H GLY 30 H GLY 30 6.688 -13.975 3.150
222 1HA GLY 30 2HA GLY 30 5.529 -14.277 5.206
223 2HA GLY 30 1HA GLY 30 5.877 -16.004 5.109
224 H ARG 31 H ARG 31 8.140 -13.258 4.984
225 HA ARG 31 HA ARG 31 9.490 -14.417 7.401
226 1HB ARG 31 2HB ARG 31 10.433 -13.238 4.804
227 2HB ARG 31 1HB ARG 31 11.477 -13.131 6.223
228 1HG ARG 31 2HG ARG 31 11.028 -15.665 6.497
229 2HG ARG 31 1HG ARG 31 10.455 -15.603 4.830
230 1HD ARG 31 2HD ARG 31 12.708 -14.401 4.320
231 2HD ARG 31 1HD ARG 31 13.233 -15.063 5.881
232 HE ARG 31 HE ARG 31 12.911 -16.604 3.488
233 1HH1 ARG 31 2HH1 ARG 31 13.688 -16.905 6.676
234 2HH1 ARG 31 1HH1 ARG 31 13.027 -18.490 6.901
235 1HH2 ARG 31 1HH2 ARG 31 11.397 -18.535 3.842
236 2HH2 ARG 31 2HH2 ARG 31 11.729 -19.412 5.297
237 H LEU 32 H LEU 32 9.902 -11.315 5.699
238 HA LEU 32 HA LEU 32 8.594 -9.732 7.754
239 1HB LEU 32 2HB LEU 32 10.928 -8.752 8.449
240 2HB LEU 32 1HB LEU 32 10.389 -10.268 9.168
241 HG LEU 32 HG LEU 32 11.740 -11.559 7.643
242 1HD1 LEU 32 2HD1 LEU 32 12.316 -8.901 6.297
243 2HD1 LEU 32 1HD1 LEU 32 13.140 -10.411 5.916
244 3HD1 LEU 32 3HD1 LEU 32 11.412 -10.250 5.609
245 1HD2 LEU 32 3HD2 LEU 32 12.785 -10.114 9.608
246 2HD2 LEU 32 2HD2 LEU 32 13.823 -11.033 8.517
247 3HD2 LEU 32 1HD2 LEU 32 13.602 -9.300 8.273
248 H THR 33 H THR 33 8.320 -9.616 5.035
249 HA THR 33 HA THR 33 9.813 -8.132 3.311
250 HB THR 33 HB THR 33 7.206 -6.948 3.359
251 HG1 THR 33 HG1 THR 33 6.045 -8.986 3.425
252 1HG2 THR 33 1HG2 THR 33 8.401 -9.241 1.784
253 2HG2 THR 33 3HG2 THR 33 6.878 -8.446 1.385
254 3HG2 THR 33 2HG2 THR 33 8.390 -7.539 1.322
255 H PHE 34 H PHE 34 11.254 -6.688 4.475
256 HA PHE 34 HA PHE 34 10.634 -3.958 4.546
257 1HB PHE 34 2HB PHE 34 8.971 -4.254 6.196
258 2HB PHE 34 1HB PHE 34 9.895 -5.497 7.035
259 HD1 PHE 34 HD1 PHE 34 10.462 -1.941 5.945
260 HD2 PHE 34 HD2 PHE 34 10.733 -4.843 9.100
261 HE1 PHE 34 HE1 PHE 34 11.410 -0.215 7.452
262 HE2 PHE 34 HE2 PHE 34 11.682 -3.117 10.607
263 HZ PHE 34 HZ PHE 34 12.020 -0.803 9.783
264 H ASN 35 H ASN 35 12.812 -3.492 4.145
265 HA ASN 35 HA ASN 35 14.718 -3.949 6.360
266 1HB ASN 35 2HB ASN 35 14.435 -5.770 4.245
267 2HB ASN 35 1HB ASN 35 15.886 -4.846 3.857
268 1HD2 ASN 35 2HD2 ASN 35 17.093 -5.774 7.357
269 2HD2 ASN 35 1HD2 ASN 35 16.528 -4.304 6.722
270 H LYS 36 H LYS 36 14.957 -3.185 2.847
271 HA LYS 36 HA LYS 36 16.956 -1.160 3.287
272 1HB LYS 36 2HB LYS 36 15.398 -2.334 1.077
273 2HB LYS 36 1HB LYS 36 15.936 -0.677 0.794
274 1HG LYS 36 2HG LYS 36 18.065 -2.181 2.012
275 2HG LYS 36 1HG LYS 36 17.475 -3.041 0.589
276 1HD LYS 36 2HD LYS 36 18.716 -1.618 -0.647
277 2HD LYS 36 1HD LYS 36 17.547 -0.369 -0.213
278 1HE LYS 36 2HE LYS 36 19.722 0.478 0.413
279 2HE LYS 36 1HE LYS 36 18.931 -0.017 1.923
280 1HZ LYS 36 3HZ LYS 36 19.974 -2.326 1.184
281 2HZ LYS 36 2HZ LYS 36 21.120 -1.292 0.473
282 3HZ LYS 36 1HZ LYS 36 20.825 -1.218 2.145
283 H VAL 37 H VAL 37 14.333 0.001 1.286
284 HA VAL 37 HA VAL 37 13.245 1.745 3.409
285 HB VAL 37 HB VAL 37 15.199 2.586 1.277
286 1HG1 VAL 37 1HG1 VAL 37 13.249 4.389 2.744
287 2HG1 VAL 37 3HG1 VAL 37 14.588 4.940 1.738
288 3HG1 VAL 37 2HG1 VAL 37 13.245 4.058 1.011
289 1HG2 VAL 37 3HG2 VAL 37 14.972 2.655 4.247
290 2HG2 VAL 37 2HG2 VAL 37 16.389 2.375 3.234
291 3HG2 VAL 37 1HG2 VAL 37 15.788 4.016 3.477
292 H ILE 38 H ILE 38 11.708 3.412 2.388
293 HA ILE 38 HA ILE 38 10.414 2.346 -0.099
294 HB ILE 38 HB ILE 38 8.959 1.625 1.586
295 1HG1 ILE 38 2HG1 ILE 38 7.778 4.351 1.629
296 2HG1 ILE 38 1HG1 ILE 38 8.045 3.652 0.032
297 1HG2 ILE 38 3HG2 ILE 38 10.307 2.690 3.421
298 2HG2 ILE 38 2HG2 ILE 38 9.443 4.196 3.116
299 3HG2 ILE 38 1HG2 ILE 38 8.567 2.775 3.676
300 1HD1 ILE 38 2HD1 ILE 38 6.865 1.800 2.006
301 2HD1 ILE 38 1HD1 ILE 38 5.836 3.164 1.567
302 3HD1 ILE 38 3HD1 ILE 38 6.433 2.072 0.317
303 H ARG 39 H ARG 39 11.158 3.957 -1.484
304 HA ARG 39 HA ARG 39 10.582 6.784 -0.701
305 1HB ARG 39 2HB ARG 39 12.783 6.871 -1.283
306 2HB ARG 39 1HB ARG 39 12.706 5.354 -2.168
307 1HG ARG 39 2HG ARG 39 12.125 6.391 -4.162
308 2HG ARG 39 1HG ARG 39 11.360 7.757 -3.349
309 1HD ARG 39 2HD ARG 39 13.332 8.918 -3.169
310 2HD ARG 39 1HD ARG 39 14.286 7.447 -2.890
311 HE ARG 39 HE ARG 39 13.303 7.274 -5.528
312 1HH1 ARG 39 1HH2 ARG 39 13.834 10.236 -5.488
313 2HH1 ARG 39 2HH2 ARG 39 15.486 10.309 -6.000
314 1HH2 ARG 39 2HH1 ARG 39 16.100 6.951 -5.393
315 2HH2 ARG 39 1HH1 ARG 39 16.770 8.448 -5.946
316 HA PRO 40 HA PRO 40 8.605 6.413 -4.944
317 1HB PRO 40 2HB PRO 40 8.943 4.166 -6.466
318 2HB PRO 40 1HB PRO 40 10.080 5.525 -6.463
319 1HG PRO 40 2HG PRO 40 10.379 2.853 -5.318
320 2HG PRO 40 1HG PRO 40 11.609 4.045 -5.737
321 1HD PRO 40 2HD PRO 40 10.570 3.434 -3.144
322 2HD PRO 40 1HD PRO 40 11.794 4.642 -3.580
323 H CYS 41 H CYS 41 7.371 5.569 -2.644
324 HA CYS 41 HA CYS 41 5.612 3.286 -3.444
325 1HB CYS 41 2HB CYS 41 6.667 3.078 -1.275
326 2HB CYS 41 1HB CYS 41 6.175 4.712 -0.827
327 HG CYS 41 HG CYS 41 3.619 3.594 -1.250
328 H MET 42 H MET 42 3.933 4.150 -4.679
329 HA MET 42 HA MET 42 2.743 6.759 -3.884
330 1HB MET 42 2HB MET 42 2.309 4.911 -6.255
331 2HB MET 42 1HB MET 42 1.629 6.529 -6.090
332 1HG MET 42 2HG MET 42 3.708 7.572 -6.323
333 2HG MET 42 1HG MET 42 4.596 6.129 -5.833
334 1HE MET 42 1HE MET 42 6.005 5.222 -7.229
335 2HE MET 42 3HE MET 42 6.022 5.226 -8.999
336 3HE MET 42 2HE MET 42 6.218 6.734 -8.109
337 H LYS 43 H LYS 43 0.392 6.911 -3.590
338 HA LYS 43 HA LYS 43 -0.961 4.312 -2.983
339 1HB LYS 43 2HB LYS 43 -0.216 5.028 -0.865
340 2HB LYS 43 1HB LYS 43 -0.492 6.728 -1.244
341 1HG LYS 43 2HG LYS 43 -2.890 4.987 -1.349
342 2HG LYS 43 1HG LYS 43 -2.203 5.242 0.253
343 1HD LYS 43 2HD LYS 43 -2.442 7.606 0.098
344 2HD LYS 43 1HD LYS 43 -2.732 7.536 -1.641
345 1HE LYS 43 2HE LYS 43 -4.928 6.768 -1.381
346 2HE LYS 43 1HE LYS 43 -4.604 6.096 0.231
347 1HZ LYS 43 1HZ LYS 43 -3.965 8.638 0.632
348 2HZ LYS 43 3HZ LYS 43 -5.163 8.846 -0.551
349 3HZ LYS 43 2HZ LYS 43 -5.531 8.033 0.896
350 H LYS 44 H LYS 44 -3.272 4.414 -3.077
351 HA LYS 44 HA LYS 44 -4.625 6.892 -3.880
352 1HB LYS 44 2HB LYS 44 -3.486 6.073 -5.943
353 2HB LYS 44 1HB LYS 44 -4.341 4.539 -5.779
354 1HG LYS 44 2HG LYS 44 -6.484 6.056 -5.711
355 2HG LYS 44 1HG LYS 44 -5.436 7.246 -6.484
356 1HD LYS 44 2HD LYS 44 -4.913 4.873 -7.862
357 2HD LYS 44 1HD LYS 44 -6.660 4.861 -7.620
358 1HE LYS 44 2HE LYS 44 -6.885 7.047 -8.655
359 2HE LYS 44 1HE LYS 44 -5.121 7.223 -8.755
360 1HZ LYS 44 2HZ LYS 44 -6.511 4.885 -9.916
361 2HZ LYS 44 1HZ LYS 44 -6.317 6.321 -10.804
362 3HZ LYS 44 3HZ LYS 44 -4.954 5.470 -10.263
363 H THR 45 H THR 45 -6.995 6.534 -3.978
364 HA THR 45 HA THR 45 -8.024 3.870 -3.242
365 HB THR 45 HB THR 45 -7.935 6.234 -1.345
366 HG1 THR 45 HG1 THR 45 -6.914 3.613 -1.400
367 1HG2 THR 45 3HG2 THR 45 -10.144 4.642 -1.627
368 2HG2 THR 45 2HG2 THR 45 -9.218 3.726 -0.445
369 3HG2 THR 45 1HG2 THR 45 -9.664 5.398 -0.113
370 H ILE 46 H ILE 46 -10.319 3.760 -3.457
371 HA ILE 46 HA ILE 46 -11.599 6.220 -4.612
372 HB ILE 46 HB ILE 46 -11.206 4.359 -6.223
373 1HG1 ILE 46 2HG1 ILE 46 -14.010 3.915 -6.131
374 2HG1 ILE 46 1HG1 ILE 46 -13.736 5.547 -5.520
375 1HG2 ILE 46 2HG2 ILE 46 -12.157 2.839 -3.921
376 2HG2 ILE 46 1HG2 ILE 46 -13.031 2.415 -5.393
377 3HG2 ILE 46 3HG2 ILE 46 -11.273 2.278 -5.340
378 1HD1 ILE 46 1HD1 ILE 46 -12.047 5.575 -7.625
379 2HD1 ILE 46 3HD1 ILE 46 -13.247 4.434 -8.232
380 3HD1 ILE 46 2HD1 ILE 46 -13.739 6.059 -7.753
381 H TYR 47 H TYR 47 -11.745 6.266 -2.051
382 HA TYR 47 HA TYR 47 -13.550 4.506 -0.708
383 1HB TYR 47 2HB TYR 47 -13.474 6.385 0.993
384 2HB TYR 47 1HB TYR 47 -11.896 5.816 0.456
385 HD1 TYR 47 HD1 TYR 47 -14.498 8.392 -0.324
386 HD2 TYR 47 HD2 TYR 47 -10.339 7.332 -0.419
387 HE1 TYR 47 HE1 TYR 47 -13.934 10.678 -1.106
388 HE2 TYR 47 HE2 TYR 47 -9.774 9.616 -1.200
389 HH TYR 47 HH TYR 47 -12.063 11.770 -2.389
390 H GLU 48 H GLU 48 -15.250 6.350 0.592
391 HA GLU 48 HA GLU 48 -17.543 6.316 -1.099
392 1HB GLU 48 2HB GLU 48 -18.621 7.223 0.805
393 2HB GLU 48 1HB GLU 48 -17.268 6.330 1.482
394 1HG GLU 48 2HG GLU 48 -17.220 9.302 0.884
395 2HG GLU 48 1HG GLU 48 -17.531 8.610 2.476
396 H ASN 49 H ASN 49 -18.819 8.664 -0.719
397 HA ASN 49 HA ASN 49 -17.292 10.998 -1.567
398 1HB ASN 49 2HB ASN 49 -17.216 9.681 -3.635
399 2HB ASN 49 1HB ASN 49 -18.960 9.424 -3.563
400 1HD2 ASN 49 2HD2 ASN 49 -17.514 12.846 -5.163
401 2HD2 ASN 49 1HD2 ASN 49 -16.488 11.599 -4.640
402 H GLU 50 H GLU 50 -20.367 9.277 -1.414
403 HA GLU 50 HA GLU 50 -21.743 11.844 -0.733
404 1HB GLU 50 2HB GLU 50 -22.255 9.867 -2.657
405 2HB GLU 50 1HB GLU 50 -23.428 9.553 -1.378
406 1HG GLU 50 2HG GLU 50 -23.746 12.182 -1.469
407 2HG GLU 50 1HG GLU 50 -23.111 11.980 -3.103
408 H ARG 51 H ARG 51 -21.521 8.344 0.083
409 HA ARG 51 HA ARG 51 -21.756 8.907 2.920
410 1HB ARG 51 2HB ARG 51 -24.041 9.426 2.043
411 2HB ARG 51 1HB ARG 51 -24.183 7.743 1.532
412 1HG ARG 51 2HG ARG 51 -24.073 6.948 3.779
413 2HG ARG 51 1HG ARG 51 -23.543 8.519 4.383
414 1HD ARG 51 2HD ARG 51 -25.700 9.505 3.972
415 2HD ARG 51 1HD ARG 51 -26.239 8.082 3.060
416 HE ARG 51 HE ARG 51 -26.153 6.790 5.165
417 1HH1 ARG 51 1HH2 ARG 51 -24.889 7.448 7.312
418 2HH1 ARG 51 2HH2 ARG 51 -25.696 8.742 8.134
419 1HH2 ARG 51 2HH1 ARG 51 -27.597 9.658 5.382
420 2HH2 ARG 51 1HH1 ARG 51 -27.229 9.993 7.041
421 H GLU 52 H GLU 52 -20.437 6.963 0.769
422 HA GLU 52 HA GLU 52 -20.623 4.600 2.588
423 1HB GLU 52 2HB GLU 52 -21.320 3.140 0.840
424 2HB GLU 52 1HB GLU 52 -22.345 4.567 0.687
425 1HG GLU 52 2HG GLU 52 -20.524 5.438 -0.940
426 2HG GLU 52 1HG GLU 52 -19.985 3.759 -1.001
427 H ILE 53 H ILE 53 -18.556 4.001 3.021
428 HA ILE 53 HA ILE 53 -16.253 4.861 1.487
429 HB ILE 53 HB ILE 53 -16.437 2.605 3.495
430 1HG1 ILE 53 2HG1 ILE 53 -16.387 5.611 3.907
431 2HG1 ILE 53 1HG1 ILE 53 -17.595 4.474 4.499
432 1HG2 ILE 53 2HG2 ILE 53 -14.269 4.612 2.792
433 2HG2 ILE 53 1HG2 ILE 53 -14.140 3.357 4.024
434 3HG2 ILE 53 3HG2 ILE 53 -14.282 2.911 2.323
435 1HD1 ILE 53 1HD1 ILE 53 -14.697 4.239 5.308
436 2HD1 ILE 53 3HD1 ILE 53 -15.815 5.287 6.179
437 3HD1 ILE 53 2HD1 ILE 53 -16.117 3.553 6.097
438 H LYS 54 H LYS 54 -15.146 3.802 -0.096
439 HA LYS 54 HA LYS 54 -16.415 1.329 -1.157
440 1HB LYS 54 2HB LYS 54 -15.432 3.793 -2.190
441 2HB LYS 54 1HB LYS 54 -14.490 2.474 -2.892
442 1HG LYS 54 2HG LYS 54 -16.228 1.771 -4.150
443 2HG LYS 54 1HG LYS 54 -17.328 1.827 -2.773
444 1HD LYS 54 2HD LYS 54 -18.268 3.503 -4.050
445 2HD LYS 54 1HD LYS 54 -17.080 4.460 -3.164
446 1HE LYS 54 2HE LYS 54 -17.038 4.881 -5.650
447 2HE LYS 54 1HE LYS 54 -15.491 4.271 -5.029
448 1HZ LYS 54 1HZ LYS 54 -17.512 2.303 -5.790
449 2HZ LYS 54 3HZ LYS 54 -16.721 3.117 -7.051
450 3HZ LYS 54 2HZ LYS 54 -15.820 2.224 -5.921
451 H GLY 55 H GLY 55 -12.978 2.474 -1.576
452 1HA GLY 55 2HA GLY 55 -11.976 0.264 0.024
453 2HA GLY 55 1HA GLY 55 -11.980 -0.147 -1.683
454 H TYR 56 H TYR 56 -9.619 -0.219 -0.584
455 HA TYR 56 HA TYR 56 -8.263 2.359 -1.283
456 1HB TYR 56 2HB TYR 56 -8.048 0.362 0.880
457 2HB TYR 56 1HB TYR 56 -6.498 0.854 0.202
458 HD1 TYR 56 HD2 TYR 56 -9.695 2.217 1.579
459 HD2 TYR 56 HD1 TYR 56 -5.531 2.924 0.791
460 HE1 TYR 56 HE2 TYR 56 -9.815 4.344 2.848
461 HE2 TYR 56 HE1 TYR 56 -5.652 5.050 2.062
462 HH TYR 56 HH TYR 56 -8.731 6.199 3.434
463 H GLU 57 H GLU 57 -5.910 1.871 -2.023
464 HA GLU 57 HA GLU 57 -5.165 -0.637 -3.167
465 1HB GLU 57 2HB GLU 57 -5.682 -0.084 -5.557
466 2HB GLU 57 1HB GLU 57 -7.138 -0.246 -4.577
467 1HG GLU 57 2HG GLU 57 -7.737 1.837 -5.174
468 2HG GLU 57 1HG GLU 57 -6.303 2.457 -4.355
469 H TYR 58 H TYR 58 -2.946 -0.426 -3.512
470 HA TYR 58 HA TYR 58 -1.943 2.224 -4.460
471 1HB TYR 58 2HB TYR 58 -0.587 2.597 -2.551
472 2HB TYR 58 1HB TYR 58 -2.162 2.131 -1.920
473 HD1 TYR 58 HD1 TYR 58 1.178 0.619 -2.888
474 HD2 TYR 58 HD2 TYR 58 -2.306 0.408 -0.380
475 HE1 TYR 58 HE1 TYR 58 2.189 -1.232 -1.596
476 HE2 TYR 58 HE2 TYR 58 -1.281 -1.440 0.903
477 HH TYR 58 HH TYR 58 2.052 -2.419 0.347
478 H GLN 59 H GLN 59 0.434 2.240 -4.680
479 HA GLN 59 HA GLN 59 1.575 -0.413 -5.473
480 1HB GLN 59 2HB GLN 59 2.787 1.067 -7.216
481 2HB GLN 59 1HB GLN 59 1.065 0.798 -7.489
482 1HG GLN 59 2HG GLN 59 1.736 3.121 -5.775
483 2HG GLN 59 1HG GLN 59 2.206 3.264 -7.470
484 1HE2 GLN 59 2HE2 GLN 59 -1.354 2.662 -8.458
485 2HE2 GLN 59 1HE2 GLN 59 0.115 1.859 -8.740
486 H LEU 60 H LEU 60 3.129 -0.763 -3.902
487 HA LEU 60 HA LEU 60 4.540 1.587 -2.729
488 1HB LEU 60 2HB LEU 60 3.433 0.207 -1.126
489 2HB LEU 60 1HB LEU 60 3.993 -1.271 -1.907
490 HG LEU 60 HG LEU 60 6.246 0.388 -1.142
491 1HD1 LEU 60 2HD1 LEU 60 4.553 1.112 0.605
492 2HD1 LEU 60 1HD1 LEU 60 4.469 -0.571 1.121
493 3HD1 LEU 60 3HD1 LEU 60 5.984 0.320 1.261
494 1HD2 LEU 60 3HD2 LEU 60 5.284 -2.395 -0.999
495 2HD2 LEU 60 2HD2 LEU 60 6.912 -1.786 -1.296
496 3HD2 LEU 60 1HD2 LEU 60 6.310 -1.924 0.353
497 H TYR 61 H TYR 61 5.701 1.487 -4.978
498 HA TYR 61 HA TYR 61 7.584 -0.647 -5.468
499 1HB TYR 61 2HB TYR 61 6.863 0.643 -7.282
500 2HB TYR 61 1HB TYR 61 7.049 2.153 -6.401
501 HD1 TYR 61 HD2 TYR 61 9.650 -0.426 -6.197
502 HD2 TYR 61 HD1 TYR 61 8.395 3.145 -8.229
503 HE1 TYR 61 HE2 TYR 61 11.928 -0.160 -7.137
504 HE2 TYR 61 HE1 TYR 61 10.673 3.409 -9.171
505 HH TYR 61 HH TYR 61 12.653 2.350 -9.515
506 H VAL 62 H VAL 62 9.130 -1.049 -3.948
507 HA VAL 62 HA VAL 62 11.004 1.108 -3.170
508 HB VAL 62 HB VAL 62 10.534 0.699 -0.767
509 1HG1 VAL 62 2HG1 VAL 62 9.315 2.479 -2.144
510 2HG1 VAL 62 1HG1 VAL 62 7.953 1.361 -2.200
511 3HG1 VAL 62 3HG1 VAL 62 8.520 1.983 -0.651
512 1HG2 VAL 62 3HG2 VAL 62 8.809 -1.373 -1.970
513 2HG2 VAL 62 2HG2 VAL 62 9.585 -1.332 -0.387
514 3HG2 VAL 62 1HG2 VAL 62 8.069 -0.470 -0.648
515 H TYR 63 H TYR 63 12.211 -0.228 -1.071
516 HA TYR 63 HA TYR 63 12.805 -2.960 -2.101
517 1HB TYR 63 2HB TYR 63 14.454 -1.372 -3.021
518 2HB TYR 63 1HB TYR 63 14.833 -0.823 -1.387
519 HD1 TYR 63 HD2 TYR 63 13.979 -4.340 -1.732
520 HD2 TYR 63 HD1 TYR 63 17.214 -1.517 -1.879
521 HE1 TYR 63 HE2 TYR 63 15.607 -6.192 -1.488
522 HE2 TYR 63 HE1 TYR 63 18.842 -3.373 -1.637
523 HH TYR 63 HH TYR 63 17.780 -6.756 -1.605
524 H ALA 64 H ALA 64 12.652 -4.365 -0.439
525 HA ALA 64 HA ALA 64 13.193 -3.364 2.334
526 1HB ALA 64 2HB ALA 64 10.811 -3.801 1.715
527 2HB ALA 64 1HB ALA 64 11.248 -5.473 1.360
528 3HB ALA 64 3HB ALA 64 11.381 -4.857 3.006
529 H SER 65 H SER 65 12.528 -6.495 2.733
530 HA SER 65 HA SER 65 15.361 -7.297 2.781
531 1HB SER 65 2HB SER 65 13.396 -7.744 4.471
532 2HB SER 65 1HB SER 65 12.985 -9.056 3.369
533 HG SER 65 HG SER 65 14.993 -8.869 5.183
534 H ASP 66 H ASP 66 12.349 -8.554 1.311
535 HA ASP 66 HA ASP 66 14.005 -9.703 -0.912
536 1HB ASP 66 2HB ASP 66 12.908 -11.205 0.995
537 2HB ASP 66 1HB ASP 66 11.455 -10.979 0.022
538 H LYS 67 H LYS 67 12.489 -7.146 -0.641
539 HA LYS 67 HA LYS 67 10.458 -7.558 -2.827
540 1HB LYS 67 2HB LYS 67 9.243 -7.032 -0.906
541 2HB LYS 67 1HB LYS 67 10.505 -5.973 -0.281
542 1HG LYS 67 2HG LYS 67 9.541 -5.023 -2.847
543 2HG LYS 67 1HG LYS 67 8.216 -5.183 -1.697
544 1HD LYS 67 2HD LYS 67 10.745 -3.954 -0.705
545 2HD LYS 67 1HD LYS 67 9.746 -2.986 -1.787
546 1HE LYS 67 2HE LYS 67 9.277 -2.789 0.755
547 2HE LYS 67 1HE LYS 67 7.881 -3.067 -0.300
548 1HZ LYS 67 2HZ LYS 67 9.437 -5.227 1.014
549 2HZ LYS 67 1HZ LYS 67 7.979 -4.608 1.619
550 3HZ LYS 67 3HZ LYS 67 8.003 -5.407 0.125
551 H LEU 68 H LEU 68 12.340 -7.091 -4.243
552 HA LEU 68 HA LEU 68 13.438 -4.329 -4.214
553 1HB LEU 68 2HB LEU 68 13.867 -6.867 -5.809
554 2HB LEU 68 1HB LEU 68 14.577 -5.337 -6.324
555 HG LEU 68 HG LEU 68 15.427 -5.204 -3.849
556 1HD1 LEU 68 1HD1 LEU 68 14.128 -7.160 -3.071
557 2HD1 LEU 68 3HD1 LEU 68 15.000 -8.187 -4.210
558 3HD1 LEU 68 2HD1 LEU 68 15.859 -7.426 -2.872
559 1HD2 LEU 68 2HD2 LEU 68 16.461 -6.707 -6.199
560 2HD2 LEU 68 1HD2 LEU 68 17.179 -5.353 -5.326
561 3HD2 LEU 68 3HD2 LEU 68 17.290 -6.986 -4.668
562 H PHE 69 H PHE 69 10.827 -3.969 -4.490
563 HA PHE 69 HA PHE 69 10.430 -2.832 -7.072
564 1HB PHE 69 2HB PHE 69 8.757 -4.671 -7.801
565 2HB PHE 69 1HB PHE 69 10.456 -5.052 -7.937
566 HD1 PHE 69 HD1 PHE 69 7.670 -5.267 -5.423
567 HD2 PHE 69 HD2 PHE 69 11.235 -7.034 -7.041
568 HE1 PHE 69 HE1 PHE 69 7.387 -7.217 -3.920
569 HE2 PHE 69 HE2 PHE 69 10.951 -8.984 -5.539
570 HZ PHE 69 HZ PHE 69 9.027 -9.076 -3.978
571 H ARG 70 H ARG 70 7.472 -3.728 -7.022
572 HA ARG 70 HA ARG 70 6.710 -2.001 -4.703
573 1HB ARG 70 2HB ARG 70 6.170 -1.027 -6.840
574 2HB ARG 70 1HB ARG 70 5.447 -2.536 -7.394
575 1HG ARG 70 2HG ARG 70 4.106 -1.906 -4.978
576 2HG ARG 70 1HG ARG 70 4.205 -0.389 -5.871
577 1HD ARG 70 2HD ARG 70 3.348 -2.933 -7.261
578 2HD ARG 70 1HD ARG 70 2.181 -1.929 -6.379
579 HE ARG 70 HE ARG 70 3.809 -0.265 -8.060
580 1HH1 ARG 70 2HH1 ARG 70 0.686 -1.133 -7.605
581 2HH1 ARG 70 1HH1 ARG 70 0.223 -1.160 -9.274
582 1HH2 ARG 70 1HH2 ARG 70 3.474 -0.925 -10.456
583 2HH2 ARG 70 2HH2 ARG 70 1.801 -1.042 -10.888
584 H ALA 71 H ALA 71 5.200 -2.668 -3.288
585 HA ALA 71 HA ALA 71 4.163 -5.452 -3.545
586 1HB ALA 71 2HB ALA 71 5.443 -4.300 -1.498
587 2HB ALA 71 1HB ALA 71 3.831 -3.680 -1.139
588 3HB ALA 71 3HB ALA 71 4.113 -5.420 -1.203
589 H ASP 72 H ASP 72 2.267 -5.213 -4.832
590 HA ASP 72 HA ASP 72 0.627 -2.814 -4.625
591 1HB ASP 72 2HB ASP 72 0.925 -4.162 -6.685
592 2HB ASP 72 1HB ASP 72 0.118 -5.518 -5.901
593 H ILE 73 H ILE 73 -1.606 -2.818 -3.890
594 HA ILE 73 HA ILE 73 -2.627 -5.067 -2.337
595 HB ILE 73 HB ILE 73 -1.010 -2.946 -1.149
596 1HG1 ILE 73 2HG1 ILE 73 -0.626 -5.346 -0.820
597 2HG1 ILE 73 1HG1 ILE 73 -0.977 -4.572 0.724
598 1HG2 ILE 73 3HG2 ILE 73 -3.861 -3.289 -0.258
599 2HG2 ILE 73 2HG2 ILE 73 -2.612 -2.966 0.944
600 3HG2 ILE 73 1HG2 ILE 73 -2.900 -1.814 -0.360
601 1HD1 ILE 73 3HD1 ILE 73 -3.401 -5.462 -0.638
602 2HD1 ILE 73 2HD1 ILE 73 -2.289 -6.793 -0.317
603 3HD1 ILE 73 1HD1 ILE 73 -2.862 -5.782 1.010
604 H SER 74 H SER 74 -4.556 -4.891 -3.428
605 HA SER 74 HA SER 74 -5.964 -2.252 -3.306
606 1HB SER 74 2HB SER 74 -5.950 -2.718 -5.556
607 2HB SER 74 1HB SER 74 -5.679 -4.438 -5.294
608 HG SER 74 HG SER 74 -7.832 -4.716 -4.931
609 H GLU 75 H GLU 75 -7.918 -2.239 -2.138
610 HA GLU 75 HA GLU 75 -9.339 -4.788 -1.593
611 1HB GLU 75 2HB GLU 75 -7.539 -3.330 0.274
612 2HB GLU 75 1HB GLU 75 -9.058 -3.909 0.957
613 1HG GLU 75 2HG GLU 75 -8.541 -6.178 0.003
614 2HG GLU 75 1HG GLU 75 -6.957 -5.564 -0.467
615 H ASP 76 H ASP 76 -11.524 -4.395 -1.303
616 HA ASP 76 HA ASP 76 -12.654 -1.797 -1.691
617 1HB ASP 76 2HB ASP 76 -13.478 -4.430 -1.526
618 2HB ASP 76 1HB ASP 76 -14.260 -3.682 -0.134
619 H TYR 77 H TYR 77 -14.592 -2.026 0.645
620 HA TYR 77 HA TYR 77 -12.932 -1.528 3.025
621 1HB TYR 77 2HB TYR 77 -12.692 0.540 1.702
622 2HB TYR 77 1HB TYR 77 -14.447 0.706 1.637
623 HD1 TYR 77 HD1 TYR 77 -15.670 0.633 3.994
624 HD2 TYR 77 HD2 TYR 77 -11.529 1.619 3.407
625 HE1 TYR 77 HE1 TYR 77 -15.627 1.764 6.198
626 HE2 TYR 77 HE2 TYR 77 -11.488 2.757 5.610
627 HH TYR 77 HH TYR 77 -14.396 2.858 7.678
628 H LYS 78 H LYS 78 -16.159 -0.636 1.721
629 HA LYS 78 HA LYS 78 -17.460 -1.014 4.293
630 1HB LYS 78 2HB LYS 78 -18.122 0.533 2.389
631 2HB LYS 78 1HB LYS 78 -18.674 -0.898 1.516
632 1HG LYS 78 2HG LYS 78 -19.890 -1.283 3.922
633 2HG LYS 78 1HG LYS 78 -19.885 0.479 3.840
634 1HD LYS 78 2HD LYS 78 -20.665 -0.906 1.340
635 2HD LYS 78 1HD LYS 78 -21.798 -1.067 2.682
636 1HE LYS 78 2HE LYS 78 -20.741 1.672 2.283
637 2HE LYS 78 1HE LYS 78 -21.796 1.071 0.988
638 1HZ LYS 78 3HZ LYS 78 -23.337 0.298 2.760
639 2HZ LYS 78 2HZ LYS 78 -22.381 1.121 3.900
640 3HZ LYS 78 1HZ LYS 78 -23.186 1.986 2.679
641 H THR 79 H THR 79 -17.791 -2.756 1.185
642 HA THR 79 HA THR 79 -18.866 -5.112 2.642
643 HB THR 79 HB THR 79 -18.522 -4.400 -0.292
644 HG1 THR 79 HG1 THR 79 -20.836 -4.276 -0.115
645 1HG2 THR 79 2HG2 THR 79 -19.214 -6.914 1.065
646 2HG2 THR 79 1HG2 THR 79 -20.396 -6.410 -0.144
647 3HG2 THR 79 3HG2 THR 79 -18.707 -6.637 -0.602
648 H ARG 80 H ARG 80 -15.886 -3.965 2.183
649 HA ARG 80 HA ARG 80 -13.749 -4.953 2.086
650 1HB ARG 80 2HB ARG 80 -15.391 -7.474 2.520
651 2HB ARG 80 1HB ARG 80 -13.676 -7.271 2.881
652 1HG ARG 80 2HG ARG 80 -15.980 -5.796 4.190
653 2HG ARG 80 1HG ARG 80 -14.950 -7.015 4.942
654 1HD ARG 80 2HD ARG 80 -14.155 -4.234 4.027
655 2HD ARG 80 1HD ARG 80 -14.041 -4.922 5.659
656 HE ARG 80 HE ARG 80 -12.336 -5.728 3.345
657 1HH1 ARG 80 1HH2 ARG 80 -12.312 -4.716 6.514
658 2HH1 ARG 80 2HH2 ARG 80 -11.222 -5.930 7.095
659 1HH2 ARG 80 2HH1 ARG 80 -11.291 -7.773 4.158
660 2HH2 ARG 80 1HH1 ARG 80 -10.644 -7.661 5.762
661 H GLY 81 H GLY 81 -15.822 -4.969 -0.245
662 1HA GLY 81 2HA GLY 81 -16.083 -6.386 -2.266
663 2HA GLY 81 1HA GLY 81 -14.831 -5.188 -2.549
664 H ARG 82 H ARG 82 -12.518 -5.969 -1.947
665 HA ARG 82 HA ARG 82 -12.164 -8.898 -2.029
666 1HB ARG 82 2HB ARG 82 -12.175 -7.108 -4.357
667 2HB ARG 82 1HB ARG 82 -10.743 -8.134 -4.262
668 1HG ARG 82 2HG ARG 82 -12.306 -10.097 -3.883
669 2HG ARG 82 1HG ARG 82 -13.640 -9.014 -4.283
670 1HD ARG 82 2HD ARG 82 -13.033 -8.871 -6.520
671 2HD ARG 82 1HD ARG 82 -11.316 -9.159 -6.178
672 HE ARG 82 HE ARG 82 -13.305 -11.348 -5.757
673 1HH1 ARG 82 1HH2 ARG 82 -11.402 -12.982 -5.424
674 2HH1 ARG 82 2HH2 ARG 82 -10.464 -13.191 -6.863
675 1HH2 ARG 82 2HH1 ARG 82 -11.696 -10.336 -8.399
676 2HH2 ARG 82 1HH1 ARG 82 -10.630 -11.693 -8.548
677 H LYS 83 H LYS 83 -9.664 -9.222 -2.694
678 HA LYS 83 HA LYS 83 -7.937 -7.118 -1.493
679 1HB LYS 83 2HB LYS 83 -7.872 -10.024 -0.625
680 2HB LYS 83 1HB LYS 83 -7.047 -8.659 0.129
681 1HG LYS 83 2HG LYS 83 -8.872 -8.855 1.540
682 2HG LYS 83 1HG LYS 83 -9.522 -7.725 0.355
683 1HD LYS 83 2HD LYS 83 -11.106 -9.199 -0.259
684 2HD LYS 83 1HD LYS 83 -9.887 -10.435 -0.573
685 1HE LYS 83 2HE LYS 83 -9.943 -11.211 1.691
686 2HE LYS 83 1HE LYS 83 -10.860 -9.788 2.226
687 1HZ LYS 83 3HZ LYS 83 -11.953 -11.390 0.032
688 2HZ LYS 83 2HZ LYS 83 -12.075 -12.023 1.604
689 3HZ LYS 83 1HZ LYS 83 -12.765 -10.514 1.237
690 H LEU 84 H LEU 84 -5.748 -7.290 -2.286
691 HA LEU 84 HA LEU 84 -4.841 -9.573 -3.852
692 1HB LEU 84 2HB LEU 84 -6.618 -7.792 -5.079
693 2HB LEU 84 1HB LEU 84 -5.034 -7.271 -5.650
694 HG LEU 84 HG LEU 84 -5.894 -8.942 -7.187
695 1HD1 LEU 84 3HD1 LEU 84 -3.446 -8.985 -6.457
696 2HD1 LEU 84 2HD1 LEU 84 -3.877 -10.357 -5.436
697 3HD1 LEU 84 1HD1 LEU 84 -4.062 -10.468 -7.187
698 1HD2 LEU 84 3HD2 LEU 84 -7.465 -9.989 -5.535
699 2HD2 LEU 84 2HD2 LEU 84 -6.535 -11.171 -6.456
700 3HD2 LEU 84 1HD2 LEU 84 -6.082 -10.797 -4.794
701 H LEU 85 H LEU 85 -2.622 -9.131 -4.716
702 HA LEU 85 HA LEU 85 -1.399 -6.554 -4.004
703 1HB LEU 85 2HB LEU 85 -0.178 -7.305 -2.179
704 2HB LEU 85 1HB LEU 85 -1.608 -8.317 -2.009
705 HG LEU 85 HG LEU 85 1.031 -9.085 -3.284
706 1HD1 LEU 85 3HD1 LEU 85 0.910 -9.120 -0.796
707 2HD1 LEU 85 2HD1 LEU 85 -0.480 -10.202 -0.901
708 3HD1 LEU 85 1HD1 LEU 85 1.099 -10.736 -1.477
709 1HD2 LEU 85 1HD2 LEU 85 -1.700 -10.210 -3.528
710 2HD2 LEU 85 3HD2 LEU 85 -0.312 -10.387 -4.601
711 3HD2 LEU 85 2HD2 LEU 85 -0.438 -11.381 -3.152
712 H ARG 86 H ARG 86 1.103 -6.752 -4.477
713 HA ARG 86 HA ARG 86 1.795 -8.794 -6.496
714 1HB ARG 86 2HB ARG 86 1.593 -5.841 -7.173
715 2HB ARG 86 1HB ARG 86 2.112 -7.120 -8.267
716 1HG ARG 86 2HG ARG 86 -0.140 -8.212 -7.899
717 2HG ARG 86 1HG ARG 86 -0.635 -6.744 -7.057
718 1HD ARG 86 2HD ARG 86 -0.818 -5.552 -9.001
719 2HD ARG 86 1HD ARG 86 0.628 -6.303 -9.705
720 HE ARG 86 HE ARG 86 -1.892 -7.886 -9.434
721 1HH1 ARG 86 1HH2 ARG 86 -0.164 -5.919 -11.562
722 2HH1 ARG 86 2HH2 ARG 86 -0.171 -7.048 -12.875
723 1HH2 ARG 86 2HH1 ARG 86 -1.542 -9.624 -11.005
724 2HH2 ARG 86 1HH1 ARG 86 -0.950 -9.146 -12.560
725 H PHE 87 H PHE 87 3.960 -9.175 -6.358
726 HA PHE 87 HA PHE 87 5.709 -7.181 -4.939
727 1HB PHE 87 2HB PHE 87 6.008 -10.163 -5.456
728 2HB PHE 87 1HB PHE 87 7.044 -9.181 -4.422
729 HD1 PHE 87 HD1 PHE 87 6.113 -8.136 -2.336
730 HD2 PHE 87 HD2 PHE 87 3.872 -10.944 -4.696
731 HE1 PHE 87 HE1 PHE 87 4.537 -8.475 -0.453
732 HE2 PHE 87 HE2 PHE 87 2.299 -11.281 -2.809
733 HZ PHE 87 HZ PHE 87 2.639 -10.031 -0.688
734 H ASN 88 H ASN 88 5.495 -6.215 -7.384
735 HA ASN 88 HA ASN 88 7.995 -7.058 -8.735
736 1HB ASN 88 2HB ASN 88 5.549 -6.821 -10.429
737 2HB ASN 88 1HB ASN 88 7.025 -7.741 -10.714
738 1HD2 ASN 88 2HD2 ASN 88 5.882 -10.633 -8.987
739 2HD2 ASN 88 1HD2 ASN 88 7.220 -9.858 -9.685
740 H GLY 89 H GLY 89 7.498 -5.651 -11.153
741 1HA GLY 89 2HA GLY 89 7.600 -3.450 -12.007
742 2HA GLY 89 1HA GLY 89 6.631 -2.935 -10.610
743 HA PRO 90 HA PRO 90 10.921 -3.504 -8.698
744 1HB PRO 90 2HB PRO 90 12.966 -4.378 -10.305
745 2HB PRO 90 1HB PRO 90 11.900 -5.460 -9.383
746 1HG PRO 90 2HG PRO 90 11.763 -4.672 -12.259
747 2HG PRO 90 1HG PRO 90 11.527 -6.263 -11.514
748 1HD PRO 90 2HD PRO 90 9.454 -4.724 -12.288
749 2HD PRO 90 1HD PRO 90 9.363 -5.789 -10.864
750 H VAL 91 HN VAL 91 13.364 -2.610 -9.221
751 HA VAL 91 HA VAL 91 12.956 0.155 -10.038
752 HB VAL 91 HB VAL 91 15.618 -1.172 -9.542
753 1HG1 VAL 91 2HG1 VAL 91 14.880 1.427 -9.929
754 2HG1 VAL 91 1HG1 VAL 91 14.803 1.315 -8.170
755 3HG1 VAL 91 3HG1 VAL 91 16.305 0.932 -9.013
756 1HG2 VAL 91 1HG2 VAL 91 13.307 -1.237 -7.763
757 2HG2 VAL 91 3HG2 VAL 91 14.877 -2.017 -7.577
758 3HG2 VAL 91 2HG2 VAL 91 14.650 -0.353 -7.041
No H/Q in entry = 758
Start of MODEL 3
1 1H GLY 1 3H GLY 1 -12.275 8.428 -8.265
2 2H GLY 1 2H GLY 1 -12.258 6.778 -8.668
3 3H GLY 1 1H GLY 1 -13.323 7.354 -7.475
4 1HA GLY 1 2HA GLY 1 -11.816 7.136 -5.884
5 2HA GLY 1 1HA GLY 1 -10.817 6.301 -7.072
6 H GLU 2 H GLU 2 -9.454 7.695 -5.199
7 HA GLU 2 HA GLU 2 -8.436 10.049 -6.742
8 1HB GLU 2 2HB GLU 2 -8.773 9.965 -3.734
9 2HB GLU 2 1HB GLU 2 -8.450 11.374 -4.745
10 1HG GLU 2 2HG GLU 2 -10.751 10.481 -5.882
11 2HG GLU 2 1HG GLU 2 -11.010 9.978 -4.211
12 H TRP 3 H TRP 3 -6.233 9.928 -6.975
13 HA TRP 3 HA TRP 3 -4.737 7.762 -5.692
14 1HB TRP 3 2HB TRP 3 -2.946 8.591 -7.144
15 2HB TRP 3 1HB TRP 3 -4.456 8.545 -8.053
16 HD1 TRP 3 HD1 TRP 3 -2.178 11.027 -6.195
17 HE1 TRP 3 HE1 TRP 3 -2.574 13.381 -7.170
18 HE3 TRP 3 HE3 TRP 3 -6.035 10.022 -9.388
19 HZ2 TRP 3 HZ2 TRP 3 -4.300 14.667 -9.055
20 HZ3 TRP 3 HZ3 TRP 3 -7.035 11.828 -10.760
21 HH2 TRP 3 HH2 TRP 3 -6.173 14.147 -10.598
22 H GLU 4 H GLU 4 -2.589 8.308 -4.604
23 HA GLU 4 HA GLU 4 -2.004 10.860 -3.481
24 1HB GLU 4 2HB GLU 4 -4.096 10.761 -2.352
25 2HB GLU 4 1HB GLU 4 -3.888 9.055 -1.955
26 1HG GLU 4 2HG GLU 4 -2.866 9.591 -0.026
27 2HG GLU 4 1HG GLU 4 -1.668 10.548 -0.897
28 H ILE 5 H ILE 5 0.157 10.542 -3.098
29 HA ILE 5 HA ILE 5 1.249 7.896 -2.549
30 HB ILE 5 HB ILE 5 3.355 9.249 -2.570
31 1HG1 ILE 5 2HG1 ILE 5 2.081 11.697 -3.480
32 2HG1 ILE 5 1HG1 ILE 5 1.628 11.312 -1.819
33 1HG2 ILE 5 3HG2 ILE 5 1.884 8.500 -4.651
34 2HG2 ILE 5 2HG2 ILE 5 1.719 10.243 -4.861
35 3HG2 ILE 5 1HG2 ILE 5 3.319 9.502 -4.871
36 1HD1 ILE 5 1HD1 ILE 5 4.395 10.776 -2.016
37 2HD1 ILE 5 3HD1 ILE 5 4.139 12.327 -2.816
38 3HD1 ILE 5 2HD1 ILE 5 3.624 12.102 -1.144
39 H ILE 6 H ILE 6 3.114 8.056 -0.710
40 HA ILE 6 HA ILE 6 1.722 8.975 1.782
41 HB ILE 6 HB ILE 6 3.516 7.197 2.697
42 1HG1 ILE 6 2HG1 ILE 6 4.241 6.880 0.189
43 2HG1 ILE 6 1HG1 ILE 6 4.084 5.473 1.226
44 1HG2 ILE 6 2HG2 ILE 6 1.033 7.188 2.953
45 2HG2 ILE 6 1HG2 ILE 6 0.913 6.368 1.396
46 3HG2 ILE 6 3HG2 ILE 6 1.722 5.577 2.750
47 1HD1 ILE 6 2HD1 ILE 6 1.712 5.209 0.345
48 2HD1 ILE 6 1HD1 ILE 6 2.093 6.454 -0.840
49 3HD1 ILE 6 3HD1 ILE 6 2.984 4.935 -0.840
50 H ASP 7 H ASP 7 3.919 8.822 3.536
51 HA ASP 7 HA ASP 7 5.976 10.629 2.348
52 1HB ASP 7 2HB ASP 7 3.967 11.856 3.335
53 2HB ASP 7 1HB ASP 7 4.490 11.252 4.907
54 H ILE 8 H ILE 8 6.823 8.186 2.884
55 HA ILE 8 HA ILE 8 8.111 6.780 4.280
56 HB ILE 8 HB ILE 8 9.563 8.686 3.515
57 1HG1 ILE 8 2HG1 ILE 8 10.154 7.632 6.297
58 2HG1 ILE 8 1HG1 ILE 8 10.476 6.768 4.793
59 1HG2 ILE 8 3HG2 ILE 8 8.555 9.834 6.106
60 2HG2 ILE 8 2HG2 ILE 8 10.156 10.270 5.512
61 3HG2 ILE 8 1HG2 ILE 8 8.729 10.619 4.537
62 1HD1 ILE 8 1HD1 ILE 8 11.562 9.539 5.066
63 2HD1 ILE 8 3HD1 ILE 8 12.358 8.249 5.968
64 3HD1 ILE 8 2HD1 ILE 8 12.234 8.149 4.212
65 H GLY 9 H GLY 9 5.666 7.254 5.427
66 1HA GLY 9 2HA GLY 9 6.398 7.301 8.319
67 2HA GLY 9 1HA GLY 9 5.045 8.282 7.769
68 HA PRO 10 HA PRO 10 2.433 4.820 8.094
69 1HB PRO 10 2HB PRO 10 0.757 5.043 5.945
70 2HB PRO 10 1HB PRO 10 0.730 6.156 7.326
71 1HG PRO 10 2HG PRO 10 1.732 6.576 4.599
72 2HG PRO 10 1HG PRO 10 1.184 7.753 5.797
73 1HD PRO 10 2HD PRO 10 3.855 7.101 5.113
74 2HD PRO 10 1HD PRO 10 3.316 8.183 6.413
75 H PHE 11 H PHE 11 2.639 4.832 4.514
76 HA PHE 11 HA PHE 11 2.549 2.095 4.083
77 1HB PHE 11 2HB PHE 11 3.754 4.451 2.748
78 2HB PHE 11 1HB PHE 11 4.336 2.879 2.196
79 HD1 PHE 11 HD2 PHE 11 0.971 3.443 3.607
80 HD2 PHE 11 HD1 PHE 11 3.269 2.909 0.018
81 HE1 PHE 11 HE2 PHE 11 -1.120 3.102 2.320
82 HE2 PHE 11 HE1 PHE 11 1.177 2.568 -1.270
83 HZ PHE 11 HZ PHE 11 -1.017 2.664 -0.118
84 H THR 12 H THR 12 5.301 3.987 5.255
85 HA THR 12 HA THR 12 7.370 2.066 5.001
86 HB THR 12 HB THR 12 8.414 3.422 6.703
87 HG1 THR 12 HG1 THR 12 6.694 4.998 7.693
88 1HG2 THR 12 2HG2 THR 12 7.655 4.546 4.490
89 2HG2 THR 12 1HG2 THR 12 6.497 5.391 5.505
90 3HG2 THR 12 3HG2 THR 12 8.225 5.564 5.798
91 H GLN 13 H GLN 13 5.310 2.833 7.766
92 HA GLN 13 HA GLN 13 5.945 0.391 9.218
93 1HB GLN 13 2HB GLN 13 4.859 2.870 9.761
94 2HB GLN 13 1HB GLN 13 3.450 1.814 9.867
95 1HG GLN 13 2HG GLN 13 4.271 0.666 11.685
96 2HG GLN 13 1HG GLN 13 5.952 0.879 11.192
97 1HE2 GLN 13 2HE2 GLN 13 4.369 4.329 12.727
98 2HE2 GLN 13 1HE2 GLN 13 3.596 3.543 11.436
99 H ASN 14 H ASN 14 3.764 1.229 6.717
100 HA ASN 14 HA ASN 14 1.781 -0.853 7.234
101 1HB ASN 14 2HB ASN 14 1.897 1.483 5.803
102 2HB ASN 14 1HB ASN 14 2.067 0.277 4.527
103 1HD2 ASN 14 2HD2 ASN 14 -1.595 0.986 5.597
104 2HD2 ASN 14 1HD2 ASN 14 -0.303 2.080 5.477
105 H LEU 15 H LEU 15 4.120 -0.320 4.644
106 HA LEU 15 HA LEU 15 4.067 -2.710 3.266
107 1HB LEU 15 2HB LEU 15 5.572 -1.127 2.463
108 2HB LEU 15 1HB LEU 15 6.162 -0.725 4.072
109 HG LEU 15 HG LEU 15 7.422 -2.828 4.160
110 1HD1 LEU 15 1HD1 LEU 15 6.017 -3.289 1.541
111 2HD1 LEU 15 3HD1 LEU 15 7.565 -4.067 1.872
112 3HD1 LEU 15 2HD1 LEU 15 6.180 -4.378 2.916
113 1HD2 LEU 15 3HD2 LEU 15 8.287 -0.691 2.978
114 2HD2 LEU 15 2HD2 LEU 15 9.149 -2.199 2.670
115 3HD2 LEU 15 1HD2 LEU 15 8.011 -1.576 1.478
116 H GLY 16 H GLY 16 6.147 -2.106 6.125
117 1HA GLY 16 2HA GLY 16 7.152 -4.693 6.484
118 2HA GLY 16 1HA GLY 16 6.838 -3.587 7.822
119 H LYS 17 H LYS 17 4.221 -3.382 8.086
120 HA LYS 17 HA LYS 17 3.361 -5.936 9.098
121 1HB LYS 17 2HB LYS 17 2.315 -3.168 8.793
122 2HB LYS 17 1HB LYS 17 1.132 -4.441 9.095
123 1HG LYS 17 2HG LYS 17 1.663 -4.032 11.281
124 2HG LYS 17 1HG LYS 17 3.015 -5.109 10.928
125 1HD LYS 17 2HD LYS 17 4.499 -3.276 10.544
126 2HD LYS 17 1HD LYS 17 3.169 -2.118 10.507
127 1HE LYS 17 2HE LYS 17 4.428 -2.091 12.686
128 2HE LYS 17 1HE LYS 17 2.719 -2.522 12.894
129 1HZ LYS 17 3HZ LYS 17 4.747 -4.600 12.365
130 2HZ LYS 17 2HZ LYS 17 4.482 -4.043 13.948
131 3HZ LYS 17 1HZ LYS 17 3.216 -4.765 13.076
132 H PHE 18 H PHE 18 1.461 -3.991 6.892
133 HA PHE 18 HA PHE 18 -0.205 -5.815 5.747
134 1HB PHE 18 2HB PHE 18 1.241 -3.409 4.775
135 2HB PHE 18 1HB PHE 18 0.396 -4.371 3.563
136 HD1 PHE 18 HD1 PHE 18 -0.409 -3.629 7.147
137 HD2 PHE 18 HD2 PHE 18 -1.606 -3.278 3.036
138 HE1 PHE 18 HE1 PHE 18 -2.568 -2.637 7.860
139 HE2 PHE 18 HE2 PHE 18 -3.763 -2.285 3.749
140 HZ PHE 18 HZ PHE 18 -4.245 -1.965 6.161
141 H ALA 19 H ALA 19 2.678 -4.981 3.906
142 HA ALA 19 HA ALA 19 2.781 -7.045 2.099
143 1HB ALA 19 2HB ALA 19 4.378 -5.037 2.642
144 2HB ALA 19 1HB ALA 19 5.274 -6.233 3.579
145 3HB ALA 19 3HB ALA 19 5.041 -6.465 1.846
146 H VAL 20 H VAL 20 4.788 -7.263 5.063
147 HA VAL 20 HA VAL 20 5.442 -9.943 5.029
148 HB VAL 20 HB VAL 20 4.578 -8.149 7.310
149 1HG1 VAL 20 3HG1 VAL 20 5.563 -10.973 7.284
150 2HG1 VAL 20 2HG1 VAL 20 6.164 -9.897 8.547
151 3HG1 VAL 20 1HG1 VAL 20 4.432 -10.190 8.389
152 1HG2 VAL 20 3HG2 VAL 20 6.564 -7.483 5.940
153 2HG2 VAL 20 2HG2 VAL 20 6.981 -7.850 7.614
154 3HG2 VAL 20 1HG2 VAL 20 7.317 -9.026 6.344
155 H ASP 21 H ASP 21 2.270 -8.576 5.705
156 HA ASP 21 HA ASP 21 1.194 -11.208 6.553
157 1HB ASP 21 2HB ASP 21 0.510 -8.358 6.747
158 2HB ASP 21 1HB ASP 21 -0.882 -9.376 6.379
159 H GLU 22 H GLU 22 0.139 -8.719 4.173
160 HA GLU 22 HA GLU 22 -1.490 -10.532 2.685
161 1HB GLU 22 2HB GLU 22 -0.087 -8.078 1.615
162 2HB GLU 22 1HB GLU 22 -1.664 -8.708 1.142
163 1HG GLU 22 2HG GLU 22 -1.729 -8.284 3.955
164 2HG GLU 22 1HG GLU 22 -1.056 -6.830 3.217
165 H GLU 23 H GLU 23 1.916 -9.769 2.509
166 HA GLU 23 HA GLU 23 2.359 -11.204 -0.004
167 1HB GLU 23 2HB GLU 23 3.793 -9.342 0.893
168 2HB GLU 23 1HB GLU 23 4.284 -10.400 2.208
169 1HG GLU 23 2HG GLU 23 5.740 -10.149 -0.030
170 2HG GLU 23 1HG GLU 23 5.672 -11.655 0.870
171 H ASN 24 H ASN 24 3.338 -11.893 3.396
172 HA ASN 24 HA ASN 24 4.046 -14.610 2.996
173 1HB ASN 24 2HB ASN 24 4.351 -13.187 5.068
174 2HB ASN 24 1HB ASN 24 2.625 -13.363 5.381
175 1HD2 ASN 24 2HD2 ASN 24 4.950 -16.164 6.848
176 2HD2 ASN 24 1HD2 ASN 24 5.374 -14.545 6.566
177 H LYS 25 H LYS 25 0.905 -13.120 3.806
178 HA LYS 25 HA LYS 25 -0.662 -15.496 3.801
179 1HB LYS 25 2HB LYS 25 -1.330 -13.183 4.551
180 2HB LYS 25 1HB LYS 25 -1.408 -12.713 2.854
181 1HG LYS 25 2HG LYS 25 -3.342 -13.881 2.476
182 2HG LYS 25 1HG LYS 25 -2.906 -15.167 3.603
183 1HD LYS 25 2HD LYS 25 -3.190 -13.141 5.356
184 2HD LYS 25 1HD LYS 25 -4.321 -12.602 4.114
185 1HE LYS 25 2HE LYS 25 -5.358 -14.920 4.183
186 2HE LYS 25 1HE LYS 25 -4.362 -15.237 5.618
187 1HZ LYS 25 1HZ LYS 25 -5.292 -12.866 6.263
188 2HZ LYS 25 3HZ LYS 25 -6.581 -13.362 5.277
189 3HZ LYS 25 2HZ LYS 25 -6.145 -14.288 6.634
190 H ILE 26 H ILE 26 0.104 -13.192 1.236
191 HA ILE 26 HA ILE 26 -1.203 -14.366 -0.939
192 HB ILE 26 HB ILE 26 1.158 -12.649 -0.461
193 1HG1 ILE 26 2HG1 ILE 26 -0.970 -11.647 -0.984
194 2HG1 ILE 26 1HG1 ILE 26 0.087 -11.393 -2.372
195 1HG2 ILE 26 1HG2 ILE 26 1.011 -14.372 -2.926
196 2HG2 ILE 26 3HG2 ILE 26 1.695 -12.749 -3.011
197 3HG2 ILE 26 2HG2 ILE 26 2.418 -13.956 -1.948
198 1HD1 ILE 26 1HD1 ILE 26 -0.975 -13.730 -3.124
199 2HD1 ILE 26 3HD1 ILE 26 -2.303 -13.153 -2.117
200 3HD1 ILE 26 2HD1 ILE 26 -1.756 -12.192 -3.490
201 H GLY 27 H GLY 27 1.569 -15.459 0.829
202 1HA GLY 27 2HA GLY 27 1.924 -17.962 0.738
203 2HA GLY 27 1HA GLY 27 1.812 -17.805 -1.017
204 H GLN 28 H GLN 28 3.435 -15.385 0.913
205 HA GLN 28 HA GLN 28 6.080 -16.404 -0.063
206 1HB GLN 28 2HB GLN 28 4.823 -14.348 -1.187
207 2HB GLN 28 1HB GLN 28 5.472 -13.478 0.204
208 1HG GLN 28 2HG GLN 28 7.000 -13.408 -1.770
209 2HG GLN 28 1HG GLN 28 7.739 -14.176 -0.365
210 1HE2 GLN 28 2HE2 GLN 28 8.314 -17.176 -2.097
211 2HE2 GLN 28 1HE2 GLN 28 8.717 -16.153 -0.804
212 H TYR 29 H TYR 29 5.794 -17.267 2.311
213 HA TYR 29 HA TYR 29 6.274 -15.233 4.403
214 1HB TYR 29 2HB TYR 29 6.123 -17.246 5.865
215 2HB TYR 29 1HB TYR 29 4.742 -17.125 4.774
216 HD1 TYR 29 HD2 TYR 29 8.034 -18.791 5.271
217 HD2 TYR 29 HD1 TYR 29 4.308 -18.795 3.133
218 HE1 TYR 29 HE2 TYR 29 8.574 -21.024 4.335
219 HE2 TYR 29 HE1 TYR 29 4.848 -21.028 2.198
220 HH TYR 29 HH TYR 29 6.984 -23.055 3.396
221 H GLY 30 H GLY 30 8.243 -15.970 2.174
222 1HA GLY 30 2HA GLY 30 10.428 -17.472 2.887
223 2HA GLY 30 1HA GLY 30 10.609 -15.902 2.104
224 H ARG 31 H ARG 31 10.009 -14.055 3.937
225 HA ARG 31 HA ARG 31 11.130 -14.715 6.576
226 1HB ARG 31 2HB ARG 31 12.640 -13.255 4.409
227 2HB ARG 31 1HB ARG 31 12.984 -12.935 6.109
228 1HG ARG 31 2HG ARG 31 12.996 -15.637 6.153
229 2HG ARG 31 1HG ARG 31 13.532 -15.367 4.494
230 1HD ARG 31 2HD ARG 31 15.463 -14.198 5.172
231 2HD ARG 31 1HD ARG 31 14.796 -13.850 6.780
232 HE ARG 31 HE ARG 31 14.844 -16.651 6.556
233 1HH1 ARG 31 1HH2 ARG 31 17.389 -15.325 5.114
234 2HH1 ARG 31 2HH2 ARG 31 18.569 -15.658 6.339
235 1HH2 ARG 31 2HH1 ARG 31 16.222 -16.527 8.739
236 2HH2 ARG 31 1HH1 ARG 31 17.908 -16.338 8.390
237 H LEU 32 H LEU 32 11.570 -11.594 5.040
238 HA LEU 32 HA LEU 32 9.152 -10.552 6.467
239 1HB LEU 32 2HB LEU 32 11.893 -9.259 6.344
240 2HB LEU 32 1HB LEU 32 10.511 -8.723 7.301
241 HG LEU 32 HG LEU 32 10.698 -11.251 8.205
242 1HD1 LEU 32 2HD1 LEU 32 12.950 -11.077 6.614
243 2HD1 LEU 32 1HD1 LEU 32 13.584 -10.706 8.218
244 3HD1 LEU 32 3HD1 LEU 32 12.729 -12.222 7.937
245 1HD2 LEU 32 3HD2 LEU 32 10.902 -8.879 9.334
246 2HD2 LEU 32 2HD2 LEU 32 11.516 -10.302 10.177
247 3HD2 LEU 32 1HD2 LEU 32 12.628 -9.235 9.319
248 H THR 33 H THR 33 8.986 -8.063 5.695
249 HA THR 33 HA THR 33 9.653 -7.833 2.807
250 HB THR 33 HB THR 33 6.958 -6.973 3.212
251 HG1 THR 33 HG1 THR 33 7.058 -9.687 3.764
252 1HG2 THR 33 1HG2 THR 33 8.475 -8.917 1.577
253 2HG2 THR 33 3HG2 THR 33 6.755 -9.263 1.759
254 3HG2 THR 33 2HG2 THR 33 7.278 -7.721 1.080
255 H PHE 34 H PHE 34 10.916 -6.395 4.768
256 HA PHE 34 HA PHE 34 10.411 -3.665 4.045
257 1HB PHE 34 2HB PHE 34 8.397 -3.905 5.335
258 2HB PHE 34 1HB PHE 34 9.261 -4.702 6.649
259 HD1 PHE 34 HD2 PHE 34 10.186 -1.666 4.671
260 HD2 PHE 34 HD1 PHE 34 9.063 -3.257 8.500
261 HE1 PHE 34 HE2 PHE 34 10.629 0.539 5.718
262 HE2 PHE 34 HE1 PHE 34 9.505 -1.053 9.546
263 HZ PHE 34 HZ PHE 34 10.288 0.845 8.155
264 H ASN 35 H ASN 35 12.809 -4.359 3.912
265 HA ASN 35 HA ASN 35 14.147 -3.898 6.558
266 1HB ASN 35 2HB ASN 35 14.374 -6.191 5.661
267 2HB ASN 35 1HB ASN 35 15.030 -5.536 4.160
268 1HD2 ASN 35 2HD2 ASN 35 18.288 -5.255 5.456
269 2HD2 ASN 35 1HD2 ASN 35 17.273 -5.235 4.096
270 H LYS 36 H LYS 36 14.521 -3.489 3.013
271 HA LYS 36 HA LYS 36 16.765 -1.695 3.209
272 1HB LYS 36 2HB LYS 36 14.901 -2.759 1.186
273 2HB LYS 36 1HB LYS 36 15.595 -1.187 0.787
274 1HG LYS 36 2HG LYS 36 17.523 -3.124 1.894
275 2HG LYS 36 1HG LYS 36 16.843 -3.581 0.332
276 1HD LYS 36 2HD LYS 36 18.576 -2.255 -0.412
277 2HD LYS 36 1HD LYS 36 17.347 -1.007 -0.205
278 1HE LYS 36 2HE LYS 36 18.512 -0.022 1.479
279 2HE LYS 36 1HE LYS 36 18.793 -1.579 2.285
280 1HZ LYS 36 1HZ LYS 36 20.196 -0.745 -0.194
281 2HZ LYS 36 3HZ LYS 36 20.839 -0.508 1.357
282 3HZ LYS 36 2HZ LYS 36 20.548 -2.083 0.792
283 H VAL 37 H VAL 37 14.017 -0.420 1.423
284 HA VAL 37 HA VAL 37 13.395 1.589 3.500
285 HB VAL 37 HB VAL 37 15.042 2.076 1.020
286 1HG1 VAL 37 1HG1 VAL 37 13.517 4.139 2.639
287 2HG1 VAL 37 3HG1 VAL 37 14.728 4.510 1.412
288 3HG1 VAL 37 2HG1 VAL 37 13.220 3.718 0.953
289 1HG2 VAL 37 1HG2 VAL 37 15.306 2.581 3.979
290 2HG2 VAL 37 3HG2 VAL 37 16.415 1.734 2.902
291 3HG2 VAL 37 2HG2 VAL 37 16.276 3.490 2.821
292 H ILE 38 H ILE 38 11.850 3.287 2.553
293 HA ILE 38 HA ILE 38 10.179 2.210 0.305
294 HB ILE 38 HB ILE 38 9.165 1.537 2.416
295 1HG1 ILE 38 2HG1 ILE 38 7.956 3.531 0.636
296 2HG1 ILE 38 1HG1 ILE 38 7.283 2.028 1.242
297 1HG2 ILE 38 2HG2 ILE 38 10.436 3.264 3.773
298 2HG2 ILE 38 1HG2 ILE 38 9.228 4.447 3.275
299 3HG2 ILE 38 3HG2 ILE 38 8.755 3.052 4.242
300 1HD1 ILE 38 1HD1 ILE 38 6.738 3.197 3.385
301 2HD1 ILE 38 3HD1 ILE 38 7.299 4.703 2.661
302 3HD1 ILE 38 2HD1 ILE 38 5.899 3.871 1.990
303 H ARG 39 H ARG 39 11.235 3.924 -0.971
304 HA ARG 39 HA ARG 39 10.555 6.708 -0.130
305 1HB ARG 39 2HB ARG 39 12.818 5.448 -1.233
306 2HB ARG 39 1HB ARG 39 12.161 6.451 -2.527
307 1HG ARG 39 2HG ARG 39 12.099 8.384 -0.965
308 2HG ARG 39 1HG ARG 39 12.835 7.377 0.281
309 1HD ARG 39 2HD ARG 39 14.910 7.546 -0.654
310 2HD ARG 39 1HD ARG 39 14.278 7.358 -2.302
311 HE ARG 39 HE ARG 39 13.384 9.867 -1.289
312 1HH1 ARG 39 2HH1 ARG 39 15.771 8.324 -3.124
313 2HH1 ARG 39 1HH1 ARG 39 16.806 9.707 -3.243
314 1HH2 ARG 39 1HH2 ARG 39 14.926 11.631 -1.053
315 2HH2 ARG 39 2HH2 ARG 39 16.328 11.580 -2.070
316 HA PRO 40 HA PRO 40 8.662 6.511 -4.424
317 1HB PRO 40 2HB PRO 40 8.975 4.290 -5.990
318 2HB PRO 40 1HB PRO 40 10.138 5.625 -5.950
319 1HG PRO 40 2HG PRO 40 10.367 2.925 -4.846
320 2HG PRO 40 1HG PRO 40 11.626 4.089 -5.254
321 1HD PRO 40 2HD PRO 40 10.601 3.469 -2.668
322 2HD PRO 40 1HD PRO 40 11.820 4.684 -3.098
323 H CYS 41 H CYS 41 7.416 5.671 -2.161
324 HA CYS 41 HA CYS 41 5.646 3.391 -2.932
325 1HB CYS 41 2HB CYS 41 5.032 3.505 -0.499
326 2HB CYS 41 1HB CYS 41 6.752 3.237 -0.768
327 HG CYS 41 HG CYS 41 6.304 6.187 -0.531
328 H MET 42 H MET 42 3.840 4.073 -4.010
329 HA MET 42 HA MET 42 2.551 6.648 -3.164
330 1HB MET 42 2HB MET 42 2.690 5.106 -5.768
331 2HB MET 42 1HB MET 42 1.565 6.442 -5.523
332 1HG MET 42 2HG MET 42 3.800 7.649 -4.668
333 2HG MET 42 1HG MET 42 4.537 6.488 -5.773
334 1HE MET 42 1HE MET 42 3.923 6.155 -8.177
335 2HE MET 42 3HE MET 42 3.918 7.622 -9.166
336 3HE MET 42 2HE MET 42 5.192 7.361 -7.976
337 H LYS 43 H LYS 43 0.042 6.500 -3.755
338 HA LYS 43 HA LYS 43 -1.093 3.804 -3.352
339 1HB LYS 43 2HB LYS 43 -0.456 4.538 -1.100
340 2HB LYS 43 1HB LYS 43 -1.336 6.047 -1.326
341 1HG LYS 43 2HG LYS 43 -2.873 3.551 -1.803
342 2HG LYS 43 1HG LYS 43 -2.434 3.891 -0.130
343 1HD LYS 43 2HD LYS 43 -3.282 6.354 -0.977
344 2HD LYS 43 1HD LYS 43 -4.347 5.284 -1.889
345 1HE LYS 43 2HE LYS 43 -5.444 4.567 -0.006
346 2HE LYS 43 1HE LYS 43 -3.966 4.581 0.977
347 1HZ LYS 43 3HZ LYS 43 -4.881 7.152 -0.040
348 2HZ LYS 43 2HZ LYS 43 -5.833 6.453 1.183
349 3HZ LYS 43 1HZ LYS 43 -4.186 6.766 1.459
350 H LYS 44 H LYS 44 -3.447 3.807 -3.569
351 HA LYS 44 HA LYS 44 -4.762 6.313 -4.427
352 1HB LYS 44 2HB LYS 44 -3.447 5.214 -6.355
353 2HB LYS 44 1HB LYS 44 -4.647 3.923 -6.277
354 1HG LYS 44 2HG LYS 44 -6.223 6.183 -6.262
355 2HG LYS 44 1HG LYS 44 -4.904 6.654 -7.335
356 1HD LYS 44 2HD LYS 44 -5.669 3.953 -7.941
357 2HD LYS 44 1HD LYS 44 -7.112 4.966 -7.936
358 1HE LYS 44 2HE LYS 44 -6.481 5.545 -10.053
359 2HE LYS 44 1HE LYS 44 -5.249 6.548 -9.262
360 1HZ LYS 44 3HZ LYS 44 -4.065 4.213 -9.080
361 2HZ LYS 44 2HZ LYS 44 -4.990 3.895 -10.470
362 3HZ LYS 44 1HZ LYS 44 -3.890 5.190 -10.455
363 H THR 45 H THR 45 -6.845 6.223 -3.669
364 HA THR 45 HA THR 45 -8.020 3.518 -3.112
365 HB THR 45 HB THR 45 -8.032 6.168 -1.671
366 HG1 THR 45 HG1 THR 45 -7.921 3.674 -0.450
367 1HG2 THR 45 3HG2 THR 45 -10.299 4.384 -1.932
368 2HG2 THR 45 2HG2 THR 45 -9.742 4.428 -0.264
369 3HG2 THR 45 1HG2 THR 45 -10.192 5.923 -1.083
370 H ILE 46 H ILE 46 -10.239 3.234 -3.648
371 HA ILE 46 HA ILE 46 -11.403 5.371 -5.409
372 HB ILE 46 HB ILE 46 -10.761 3.255 -6.535
373 1HG1 ILE 46 2HG1 ILE 46 -13.419 2.621 -6.924
374 2HG1 ILE 46 1HG1 ILE 46 -13.513 4.275 -6.318
375 1HG2 ILE 46 2HG2 ILE 46 -12.462 2.111 -4.324
376 2HG2 ILE 46 1HG2 ILE 46 -12.239 1.233 -5.837
377 3HG2 ILE 46 3HG2 ILE 46 -10.844 1.627 -4.833
378 1HD1 ILE 46 1HD1 ILE 46 -11.783 3.350 -8.629
379 2HD1 ILE 46 3HD1 ILE 46 -13.295 4.244 -8.777
380 3HD1 ILE 46 2HD1 ILE 46 -11.892 5.002 -8.023
381 H TYR 47 H TYR 47 -11.683 5.446 -2.619
382 HA TYR 47 HA TYR 47 -14.164 4.158 -1.810
383 1HB TYR 47 2HB TYR 47 -13.631 5.062 0.308
384 2HB TYR 47 1HB TYR 47 -12.060 4.790 -0.438
385 HD1 TYR 47 HD2 TYR 47 -12.326 7.193 -2.434
386 HD2 TYR 47 HD1 TYR 47 -12.883 6.813 1.810
387 HE1 TYR 47 HE2 TYR 47 -11.785 9.592 -2.147
388 HE2 TYR 47 HE1 TYR 47 -12.342 9.214 2.094
389 HH TYR 47 HH TYR 47 -10.903 11.069 -0.308
390 H GLU 48 H GLU 48 -15.720 5.862 -0.557
391 HA GLU 48 HA GLU 48 -17.013 7.402 -2.635
392 1HB GLU 48 2HB GLU 48 -18.162 6.294 -0.749
393 2HB GLU 48 1HB GLU 48 -17.352 7.384 0.376
394 1HG GLU 48 2HG GLU 48 -19.315 8.559 0.100
395 2HG GLU 48 1HG GLU 48 -18.403 9.227 -1.254
396 H ASN 49 H ASN 49 -16.763 9.161 0.328
397 HA ASN 49 HA ASN 49 -14.485 10.810 -0.386
398 1HB ASN 49 2HB ASN 49 -16.829 11.184 -1.867
399 2HB ASN 49 1HB ASN 49 -16.846 12.495 -0.687
400 1HD2 ASN 49 2HD2 ASN 49 -14.851 13.933 -3.375
401 2HD2 ASN 49 1HD2 ASN 49 -16.475 13.662 -2.963
402 H GLU 50 H GLU 50 -17.745 11.351 0.996
403 HA GLU 50 HA GLU 50 -16.502 11.835 3.659
404 1HB GLU 50 2HB GLU 50 -16.583 13.971 2.339
405 2HB GLU 50 1HB GLU 50 -18.335 13.791 2.231
406 1HG GLU 50 2HG GLU 50 -17.695 13.448 4.958
407 2HG GLU 50 1HG GLU 50 -16.751 14.834 4.414
408 H ARG 51 H ARG 51 -18.648 10.114 2.029
409 HA ARG 51 HA ARG 51 -20.746 10.267 4.159
410 1HB ARG 51 2HB ARG 51 -21.409 11.059 1.875
411 2HB ARG 51 1HB ARG 51 -21.009 9.461 1.243
412 1HG ARG 51 2HG ARG 51 -23.009 8.659 1.890
413 2HG ARG 51 1HG ARG 51 -22.716 9.183 3.548
414 1HD ARG 51 2HD ARG 51 -23.386 11.539 2.769
415 2HD ARG 51 1HD ARG 51 -24.004 10.752 1.302
416 HE ARG 51 HE ARG 51 -24.875 9.475 3.793
417 1HH1 ARG 51 1HH2 ARG 51 -26.615 9.196 1.519
418 2HH1 ARG 51 2HH2 ARG 51 -27.817 10.422 1.743
419 1HH2 ARG 51 2HH1 ARG 51 -25.938 12.220 4.037
420 2HH2 ARG 51 1HH1 ARG 51 -27.435 12.134 3.168
421 H GLU 52 H GLU 52 -18.528 8.278 2.308
422 HA GLU 52 HA GLU 52 -18.892 6.051 4.159
423 1HB GLU 52 2HB GLU 52 -20.022 4.541 2.685
424 2HB GLU 52 1HB GLU 52 -20.931 6.051 2.623
425 1HG GLU 52 2HG GLU 52 -19.753 6.691 0.560
426 2HG GLU 52 1HG GLU 52 -18.816 5.198 0.623
427 H ILE 53 H ILE 53 -18.002 3.968 2.598
428 HA ILE 53 HA ILE 53 -15.418 4.933 1.421
429 HB ILE 53 HB ILE 53 -15.400 4.064 3.845
430 1HG1 ILE 53 2HG1 ILE 53 -13.361 2.640 3.391
431 2HG1 ILE 53 1HG1 ILE 53 -13.728 2.775 1.671
432 1HG2 ILE 53 3HG2 ILE 53 -17.007 2.136 3.099
433 2HG2 ILE 53 2HG2 ILE 53 -15.524 1.338 2.576
434 3HG2 ILE 53 1HG2 ILE 53 -15.736 1.785 4.269
435 1HD1 ILE 53 1HD1 ILE 53 -13.884 5.397 2.520
436 2HD1 ILE 53 3HD1 ILE 53 -12.559 4.759 3.494
437 3HD1 ILE 53 2HD1 ILE 53 -12.482 4.667 1.736
438 H LYS 54 H LYS 54 -14.514 3.387 -0.164
439 HA LYS 54 HA LYS 54 -16.475 1.331 -1.108
440 1HB LYS 54 2HB LYS 54 -15.935 3.827 -2.288
441 2HB LYS 54 1HB LYS 54 -15.123 2.630 -3.299
442 1HG LYS 54 2HG LYS 54 -17.165 1.385 -3.592
443 2HG LYS 54 1HG LYS 54 -18.001 2.374 -2.396
444 1HD LYS 54 2HD LYS 54 -17.721 4.359 -3.839
445 2HD LYS 54 1HD LYS 54 -16.895 3.365 -5.040
446 1HE LYS 54 2HE LYS 54 -19.150 1.897 -4.739
447 2HE LYS 54 1HE LYS 54 -19.793 3.513 -4.390
448 1HZ LYS 54 1HZ LYS 54 -18.047 2.887 -6.710
449 2HZ LYS 54 3HZ LYS 54 -19.740 2.960 -6.801
450 3HZ LYS 54 2HZ LYS 54 -18.851 4.352 -6.399
451 H GLY 55 H GLY 55 -13.205 2.544 -2.161
452 1HA GLY 55 2HA GLY 55 -12.294 -0.278 -1.800
453 2HA GLY 55 1HA GLY 55 -11.967 0.560 -3.312
454 H TYR 56 H TYR 56 -9.876 -0.456 -1.783
455 HA TYR 56 HA TYR 56 -8.382 2.021 -1.202
456 1HB TYR 56 2HB TYR 56 -9.654 1.401 0.873
457 2HB TYR 56 1HB TYR 56 -8.791 -0.137 0.892
458 HD1 TYR 56 HD2 TYR 56 -6.279 -0.148 1.101
459 HD2 TYR 56 HD1 TYR 56 -8.623 3.410 1.646
460 HE1 TYR 56 HE2 TYR 56 -4.367 0.936 2.253
461 HE2 TYR 56 HE1 TYR 56 -6.712 4.493 2.796
462 HH TYR 56 HH TYR 56 -4.516 3.351 4.184
463 H GLU 57 H GLU 57 -6.990 1.301 -2.911
464 HA GLU 57 HA GLU 57 -5.312 -1.096 -2.226
465 1HB GLU 57 2HB GLU 57 -5.138 -1.370 -4.722
466 2HB GLU 57 1HB GLU 57 -6.789 -1.546 -4.126
467 1HG GLU 57 2HG GLU 57 -7.325 0.731 -4.774
468 2HG GLU 57 1HG GLU 57 -5.646 1.038 -5.223
469 H TYR 58 H TYR 58 -3.063 -0.846 -3.423
470 HA TYR 58 HA TYR 58 -2.330 1.935 -4.045
471 1HB TYR 58 2HB TYR 58 -1.029 2.405 -2.122
472 2HB TYR 58 1HB TYR 58 -2.532 1.732 -1.510
473 HD1 TYR 58 HD1 TYR 58 0.917 0.523 -2.594
474 HD2 TYR 58 HD2 TYR 58 -2.402 0.114 0.105
475 HE1 TYR 58 HE1 TYR 58 2.145 -1.200 -1.307
476 HE2 TYR 58 HE2 TYR 58 -1.163 -1.603 1.381
477 HH TYR 58 HH TYR 58 2.059 -2.057 1.186
478 H GLN 59 H GLN 59 -0.039 2.243 -4.434
479 HA GLN 59 HA GLN 59 1.367 -0.253 -5.312
480 1HB GLN 59 2HB GLN 59 1.262 2.549 -6.495
481 2HB GLN 59 1HB GLN 59 2.308 1.262 -7.095
482 1HG GLN 59 2HG GLN 59 0.402 -0.108 -7.676
483 2HG GLN 59 1HG GLN 59 -0.706 1.019 -6.893
484 1HE2 GLN 59 2HE2 GLN 59 -0.702 1.775 -10.558
485 2HE2 GLN 59 1HE2 GLN 59 -1.100 0.419 -9.618
486 H LEU 60 H LEU 60 2.898 -0.502 -3.700
487 HA LEU 60 HA LEU 60 4.280 1.913 -2.626
488 1HB LEU 60 2HB LEU 60 3.165 0.480 -0.997
489 2HB LEU 60 1HB LEU 60 3.963 -0.947 -1.658
490 HG LEU 60 HG LEU 60 6.008 0.926 -1.031
491 1HD1 LEU 60 1HD1 LEU 60 3.708 1.085 0.760
492 2HD1 LEU 60 3HD1 LEU 60 5.164 0.566 1.608
493 3HD1 LEU 60 2HD1 LEU 60 5.158 2.086 0.715
494 1HD2 LEU 60 1HD2 LEU 60 5.050 -1.728 0.027
495 2HD2 LEU 60 3HD2 LEU 60 6.508 -1.368 -0.898
496 3HD2 LEU 60 2HD2 LEU 60 6.403 -0.902 0.799
497 H TYR 61 H TYR 61 5.460 1.853 -4.787
498 HA TYR 61 HA TYR 61 7.266 -0.309 -5.372
499 1HB TYR 61 2HB TYR 61 6.580 1.053 -7.131
500 2HB TYR 61 1HB TYR 61 6.784 2.527 -6.196
501 HD1 TYR 61 HD1 TYR 61 9.390 -0.053 -6.091
502 HD2 TYR 61 HD2 TYR 61 8.101 3.557 -8.029
503 HE1 TYR 61 HE1 TYR 61 11.655 0.238 -7.060
504 HE2 TYR 61 HE2 TYR 61 10.366 3.848 -8.994
505 HH TYR 61 HH TYR 61 12.315 2.457 -9.553
506 H VAL 62 H VAL 62 8.853 -0.832 -3.956
507 HA VAL 62 HA VAL 62 10.723 1.247 -2.937
508 HB VAL 62 HB VAL 62 10.227 0.608 -0.622
509 1HG1 VAL 62 3HG1 VAL 62 8.868 2.405 -1.807
510 2HG1 VAL 62 2HG1 VAL 62 7.606 1.189 -2.014
511 3HG1 VAL 62 1HG1 VAL 62 8.101 1.676 -0.403
512 1HG2 VAL 62 3HG2 VAL 62 8.244 -1.247 -1.952
513 2HG2 VAL 62 2HG2 VAL 62 9.583 -1.687 -0.893
514 3HG2 VAL 62 1HG2 VAL 62 8.181 -0.841 -0.237
515 H TYR 63 H TYR 63 11.709 -0.481 -0.914
516 HA TYR 63 HA TYR 63 12.407 -3.031 -2.230
517 1HB TYR 63 2HB TYR 63 14.031 -1.344 -3.049
518 2HB TYR 63 1HB TYR 63 14.445 -0.947 -1.382
519 HD1 TYR 63 HD2 TYR 63 13.624 -4.435 -2.115
520 HD2 TYR 63 HD1 TYR 63 16.813 -1.560 -1.914
521 HE1 TYR 63 HE2 TYR 63 15.282 -6.274 -2.088
522 HE2 TYR 63 HE1 TYR 63 18.470 -3.404 -1.889
523 HH TYR 63 HH TYR 63 18.325 -6.018 -2.834
524 H ALA 64 H ALA 64 12.446 -4.587 -0.668
525 HA ALA 64 HA ALA 64 12.881 -3.712 2.161
526 1HB ALA 64 1HB ALA 64 10.950 -5.635 0.865
527 2HB ALA 64 3HB ALA 64 11.241 -5.630 2.602
528 3HB ALA 64 2HB ALA 64 10.573 -4.200 1.818
529 H SER 65 H SER 65 12.387 -7.013 2.071
530 HA SER 65 HA SER 65 15.323 -7.535 2.087
531 1HB SER 65 2HB SER 65 14.040 -8.120 4.095
532 2HB SER 65 1HB SER 65 12.899 -9.049 3.126
533 HG SER 65 HG SER 65 14.681 -10.392 2.531
534 H ASP 66 H ASP 66 12.329 -8.239 0.453
535 HA ASP 66 HA ASP 66 13.803 -9.718 -1.659
536 1HB ASP 66 2HB ASP 66 12.552 -11.059 0.374
537 2HB ASP 66 1HB ASP 66 11.243 -10.938 -0.802
538 H LYS 67 H LYS 67 12.047 -7.163 -1.051
539 HA LYS 67 HA LYS 67 10.098 -7.517 -3.311
540 1HB LYS 67 2HB LYS 67 8.989 -7.018 -1.271
541 2HB LYS 67 1HB LYS 67 10.186 -5.801 -0.833
542 1HG LYS 67 2HG LYS 67 9.114 -5.073 -3.378
543 2HG LYS 67 1HG LYS 67 7.764 -5.439 -2.309
544 1HD LYS 67 2HD LYS 67 10.039 -3.726 -1.347
545 2HD LYS 67 1HD LYS 67 8.726 -3.024 -2.295
546 1HE LYS 67 2HE LYS 67 8.366 -4.614 0.270
547 2HE LYS 67 1HE LYS 67 8.235 -2.850 0.126
548 1HZ LYS 67 2HZ LYS 67 6.686 -3.625 -1.892
549 2HZ LYS 67 1HZ LYS 67 6.425 -4.922 -0.825
550 3HZ LYS 67 3HZ LYS 67 6.088 -3.336 -0.329
551 H LEU 68 H LEU 68 11.996 -7.043 -4.731
552 HA LEU 68 HA LEU 68 13.095 -4.299 -4.680
553 1HB LEU 68 2HB LEU 68 13.366 -6.685 -6.540
554 2HB LEU 68 1HB LEU 68 14.253 -5.175 -6.748
555 HG LEU 68 HG LEU 68 14.361 -6.501 -4.070
556 1HD1 LEU 68 2HD1 LEU 68 14.783 -8.149 -6.117
557 2HD1 LEU 68 1HD1 LEU 68 16.346 -7.334 -6.149
558 3HD1 LEU 68 3HD1 LEU 68 15.824 -8.184 -4.694
559 1HD2 LEU 68 2HD2 LEU 68 16.267 -4.916 -5.818
560 2HD2 LEU 68 1HD2 LEU 68 15.469 -4.369 -4.343
561 3HD2 LEU 68 3HD2 LEU 68 16.720 -5.610 -4.261
562 H PHE 69 H PHE 69 10.534 -3.752 -4.849
563 HA PHE 69 HA PHE 69 10.099 -2.555 -7.373
564 1HB PHE 69 2HB PHE 69 8.271 -4.281 -8.094
565 2HB PHE 69 1HB PHE 69 9.945 -4.656 -8.399
566 HD1 PHE 69 HD1 PHE 69 8.125 -4.833 -5.118
567 HD2 PHE 69 HD2 PHE 69 10.006 -6.998 -8.317
568 HE1 PHE 69 HE1 PHE 69 7.930 -6.924 -3.815
569 HE2 PHE 69 HE2 PHE 69 9.810 -9.092 -7.008
570 HZ PHE 69 HZ PHE 69 8.772 -9.057 -4.758
571 H ARG 70 H ARG 70 7.057 -3.815 -6.797
572 HA ARG 70 HA ARG 70 6.539 -1.838 -4.606
573 1HB ARG 70 2HB ARG 70 5.963 -0.736 -6.638
574 2HB ARG 70 1HB ARG 70 5.241 -2.194 -7.308
575 1HG ARG 70 2HG ARG 70 3.861 -1.585 -4.860
576 2HG ARG 70 1HG ARG 70 3.930 -0.113 -5.824
577 1HD ARG 70 2HD ARG 70 3.165 -2.738 -7.108
578 2HD ARG 70 1HD ARG 70 1.956 -1.742 -6.274
579 HE ARG 70 HE ARG 70 3.427 0.008 -7.924
580 1HH1 ARG 70 1HH2 ARG 70 1.961 -3.015 -8.551
581 2HH1 ARG 70 2HH2 ARG 70 1.114 -2.477 -9.963
582 1HH2 ARG 70 2HH1 ARG 70 2.090 0.832 -9.614
583 2HH2 ARG 70 1HH1 ARG 70 1.187 -0.299 -10.565
584 H ALA 71 H ALA 71 4.937 -2.351 -3.184
585 HA ALA 71 HA ALA 71 3.814 -5.096 -3.292
586 1HB ALA 71 1HB ALA 71 4.500 -3.051 -1.284
587 2HB ALA 71 3HB ALA 71 2.930 -3.800 -0.993
588 3HB ALA 71 2HB ALA 71 4.379 -4.800 -1.090
589 H ASP 72 H ASP 72 2.232 -4.750 -4.981
590 HA ASP 72 HA ASP 72 0.456 -2.431 -4.893
591 1HB ASP 72 2HB ASP 72 1.390 -4.114 -6.809
592 2HB ASP 72 1HB ASP 72 -0.202 -4.819 -6.528
593 H ILE 73 H ILE 73 -0.477 -2.793 -2.707
594 HA ILE 73 HA ILE 73 -2.062 -5.191 -2.218
595 HB ILE 73 HB ILE 73 -0.917 -3.090 -0.755
596 1HG1 ILE 73 2HG1 ILE 73 -1.065 -5.431 -0.075
597 2HG1 ILE 73 1HG1 ILE 73 -1.724 -4.393 1.190
598 1HG2 ILE 73 3HG2 ILE 73 -3.931 -3.061 -0.384
599 2HG2 ILE 73 2HG2 ILE 73 -2.766 -2.253 0.663
600 3HG2 ILE 73 1HG2 ILE 73 -2.963 -1.727 -1.009
601 1HD1 ILE 73 1HD1 ILE 73 -3.756 -5.150 -0.760
602 2HD1 ILE 73 3HD1 ILE 73 -3.023 -6.560 0.006
603 3HD1 ILE 73 2HD1 ILE 73 -3.777 -5.310 0.997
604 H SER 74 H SER 74 -4.256 -5.452 -2.541
605 HA SER 74 HA SER 74 -5.753 -3.100 -3.638
606 1HB SER 74 2HB SER 74 -4.877 -5.457 -4.953
607 2HB SER 74 1HB SER 74 -6.613 -5.654 -4.721
608 HG SER 74 HG SER 74 -6.946 -3.719 -5.778
609 H GLU 75 H GLU 75 -7.538 -2.760 -2.307
610 HA GLU 75 HA GLU 75 -9.058 -5.112 -1.297
611 1HB GLU 75 2HB GLU 75 -7.145 -3.524 0.204
612 2HB GLU 75 1HB GLU 75 -8.754 -3.371 0.909
613 1HG GLU 75 2HG GLU 75 -8.809 -5.988 0.584
614 2HG GLU 75 1HG GLU 75 -7.053 -5.816 0.585
615 H ASP 76 H ASP 76 -11.153 -4.603 -1.797
616 HA ASP 76 HA ASP 76 -12.080 -1.993 -2.479
617 1HB ASP 76 2HB ASP 76 -12.959 -4.527 -2.694
618 2HB ASP 76 1HB ASP 76 -13.942 -4.003 -1.328
619 H TYR 77 H TYR 77 -14.547 -2.385 -0.606
620 HA TYR 77 HA TYR 77 -13.593 -1.856 2.085
621 1HB TYR 77 2HB TYR 77 -13.238 0.193 0.272
622 2HB TYR 77 1HB TYR 77 -14.780 0.615 1.015
623 HD1 TYR 77 HD1 TYR 77 -14.640 -0.174 3.738
624 HD2 TYR 77 HD2 TYR 77 -11.487 1.366 1.260
625 HE1 TYR 77 HE1 TYR 77 -13.442 0.622 5.757
626 HE2 TYR 77 HE2 TYR 77 -10.288 2.161 3.280
627 HH TYR 77 HH TYR 77 -10.934 1.125 6.328
628 H LYS 78 H LYS 78 -16.227 -0.627 -0.028
629 HA LYS 78 HA LYS 78 -18.217 -1.238 2.064
630 1HB LYS 78 2HB LYS 78 -18.533 0.811 0.919
631 2HB LYS 78 1HB LYS 78 -18.192 0.086 -0.652
632 1HG LYS 78 2HG LYS 78 -20.306 -0.823 -0.846
633 2HG LYS 78 1HG LYS 78 -20.513 -0.981 0.899
634 1HD LYS 78 2HD LYS 78 -21.571 1.001 1.003
635 2HD LYS 78 1HD LYS 78 -20.220 1.804 0.201
636 1HE LYS 78 2HE LYS 78 -21.377 1.931 -1.743
637 2HE LYS 78 1HE LYS 78 -21.752 0.197 -1.688
638 1HZ LYS 78 1HZ LYS 78 -23.086 1.889 0.271
639 2HZ LYS 78 3HZ LYS 78 -23.602 2.061 -1.336
640 3HZ LYS 78 2HZ LYS 78 -23.675 0.542 -0.579
641 H THR 79 H THR 79 -17.774 -2.101 -1.390
642 HA THR 79 HA THR 79 -19.682 -4.309 -1.211
643 HB THR 79 HB THR 79 -17.690 -4.128 -3.414
644 HG1 THR 79 HG1 THR 79 -18.130 -2.137 -3.934
645 1HG2 THR 79 2HG2 THR 79 -20.100 -5.337 -3.093
646 2HG2 THR 79 1HG2 THR 79 -20.604 -3.825 -3.849
647 3HG2 THR 79 3HG2 THR 79 -19.446 -4.875 -4.664
648 H ARG 80 H ARG 80 -16.626 -3.954 0.018
649 HA ARG 80 HA ARG 80 -14.968 -5.474 0.704
650 1HB ARG 80 2HB ARG 80 -17.150 -7.516 0.185
651 2HB ARG 80 1HB ARG 80 -15.861 -7.605 1.384
652 1HG ARG 80 2HG ARG 80 -18.047 -5.505 1.373
653 2HG ARG 80 1HG ARG 80 -18.057 -6.953 2.380
654 1HD ARG 80 2HD ARG 80 -16.342 -6.182 3.746
655 2HD ARG 80 1HD ARG 80 -15.639 -5.173 2.466
656 HE ARG 80 HE ARG 80 -17.272 -3.488 2.934
657 1HH1 ARG 80 1HH2 ARG 80 -18.319 -6.491 4.186
658 2HH1 ARG 80 2HH2 ARG 80 -19.283 -5.796 5.446
659 1HH2 ARG 80 1HH1 ARG 80 -19.272 -3.560 5.776
660 2HH2 ARG 80 2HH1 ARG 80 -18.300 -2.540 4.767
661 H GLY 81 H GLY 81 -15.376 -4.860 -2.175
662 1HA GLY 81 2HA GLY 81 -15.245 -6.583 -4.172
663 2HA GLY 81 1HA GLY 81 -13.936 -5.424 -4.009
664 H ARG 82 H ARG 82 -12.067 -6.229 -2.484
665 HA ARG 82 HA ARG 82 -11.837 -9.154 -2.284
666 1HB ARG 82 2HB ARG 82 -10.911 -7.591 -4.583
667 2HB ARG 82 1HB ARG 82 -9.637 -8.581 -3.867
668 1HG ARG 82 2HG ARG 82 -11.903 -10.235 -3.897
669 2HG ARG 82 1HG ARG 82 -11.919 -9.411 -5.457
670 1HD ARG 82 2HD ARG 82 -9.346 -10.018 -5.477
671 2HD ARG 82 1HD ARG 82 -9.851 -11.274 -4.327
672 HE ARG 82 HE ARG 82 -11.748 -11.406 -6.355
673 1HH1 ARG 82 1HH2 ARG 82 -9.102 -13.091 -5.560
674 2HH1 ARG 82 2HH2 ARG 82 -8.575 -13.474 -7.164
675 1HH2 ARG 82 2HH1 ARG 82 -10.736 -11.235 -8.693
676 2HH2 ARG 82 1HH1 ARG 82 -9.501 -12.422 -8.938
677 H LYS 83 H LYS 83 -9.337 -9.627 -1.841
678 HA LYS 83 HA LYS 83 -8.040 -7.442 -0.307
679 1HB LYS 83 2HB LYS 83 -9.097 -10.063 0.786
680 2HB LYS 83 1HB LYS 83 -7.871 -9.121 1.634
681 1HG LYS 83 2HG LYS 83 -9.344 -7.245 1.867
682 2HG LYS 83 1HG LYS 83 -10.518 -7.948 0.755
683 1HD LYS 83 2HD LYS 83 -11.528 -8.983 2.475
684 2HD LYS 83 1HD LYS 83 -10.033 -9.851 2.826
685 1HE LYS 83 2HE LYS 83 -9.337 -7.544 3.950
686 2HE LYS 83 1HE LYS 83 -11.096 -7.340 4.072
687 1HZ LYS 83 1HZ LYS 83 -10.971 -9.826 4.813
688 2HZ LYS 83 3HZ LYS 83 -9.383 -9.418 5.245
689 3HZ LYS 83 2HZ LYS 83 -10.691 -8.584 5.938
690 H LEU 84 H LEU 84 -6.116 -7.526 -1.474
691 HA LEU 84 HA LEU 84 -4.363 -9.831 -1.141
692 1HB LEU 84 2HB LEU 84 -6.217 -10.160 -3.061
693 2HB LEU 84 1HB LEU 84 -5.025 -9.258 -3.998
694 HG LEU 84 HG LEU 84 -3.301 -10.886 -3.466
695 1HD1 LEU 84 2HD1 LEU 84 -5.393 -11.849 -1.558
696 2HD1 LEU 84 1HD1 LEU 84 -4.308 -13.046 -2.266
697 3HD1 LEU 84 3HD1 LEU 84 -3.649 -11.704 -1.330
698 1HD2 LEU 84 1HD2 LEU 84 -5.475 -11.348 -5.099
699 2HD2 LEU 84 3HD2 LEU 84 -4.017 -12.339 -5.058
700 3HD2 LEU 84 2HD2 LEU 84 -5.431 -12.810 -4.115
701 H LEU 85 H LEU 85 -2.359 -9.441 -2.737
702 HA LEU 85 HA LEU 85 -1.993 -6.612 -3.418
703 1HB LEU 85 2HB LEU 85 -0.488 -6.081 -1.735
704 2HB LEU 85 1HB LEU 85 -1.509 -7.226 -0.874
705 HG LEU 85 HG LEU 85 1.045 -8.003 -2.312
706 1HD1 LEU 85 2HD1 LEU 85 0.634 -6.669 0.232
707 2HD1 LEU 85 1HD1 LEU 85 1.373 -8.250 0.469
708 3HD1 LEU 85 3HD1 LEU 85 2.146 -7.067 -0.583
709 1HD2 LEU 85 3HD2 LEU 85 -0.718 -9.766 -1.904
710 2HD2 LEU 85 2HD2 LEU 85 0.809 -10.083 -1.082
711 3HD2 LEU 85 1HD2 LEU 85 -0.563 -9.445 -0.178
712 H ARG 86 H ARG 86 0.530 -6.389 -4.102
713 HA ARG 86 HA ARG 86 1.295 -8.871 -5.598
714 1HB ARG 86 2HB ARG 86 1.389 -6.058 -6.713
715 2HB ARG 86 1HB ARG 86 1.522 -7.578 -7.600
716 1HG ARG 86 2HG ARG 86 -0.825 -8.125 -6.890
717 2HG ARG 86 1HG ARG 86 -0.940 -6.507 -6.195
718 1HD ARG 86 2HD ARG 86 -1.438 -5.656 -8.231
719 2HD ARG 86 1HD ARG 86 0.079 -6.304 -8.887
720 HE ARG 86 HE ARG 86 -1.814 -8.437 -8.532
721 1HH1 ARG 86 1HH2 ARG 86 -0.020 -7.577 -10.946
722 2HH1 ARG 86 2HH2 ARG 86 -1.238 -7.387 -12.163
723 1HH2 ARG 86 2HH1 ARG 86 -3.868 -7.382 -9.902
724 2HH2 ARG 86 1HH1 ARG 86 -3.417 -7.276 -11.571
725 H PHE 87 H PHE 87 3.574 -8.250 -6.718
726 HA PHE 87 HA PHE 87 5.320 -6.611 -4.963
727 1HB PHE 87 2HB PHE 87 5.687 -9.605 -5.359
728 2HB PHE 87 1HB PHE 87 6.720 -8.546 -4.398
729 HD1 PHE 87 HD2 PHE 87 5.953 -7.639 -2.239
730 HD2 PHE 87 HD1 PHE 87 3.470 -10.254 -4.579
731 HE1 PHE 87 HE2 PHE 87 4.446 -7.957 -0.300
732 HE2 PHE 87 HE1 PHE 87 1.967 -10.567 -2.638
733 HZ PHE 87 HZ PHE 87 2.458 -9.412 -0.504
734 H ASN 88 H ASN 88 4.974 -5.808 -7.471
735 HA ASN 88 HA ASN 88 7.469 -6.648 -8.830
736 1HB ASN 88 2HB ASN 88 4.913 -6.642 -10.394
737 2HB ASN 88 1HB ASN 88 6.449 -7.415 -10.780
738 1HD2 ASN 88 2HD2 ASN 88 3.701 -9.418 -8.557
739 2HD2 ASN 88 1HD2 ASN 88 3.400 -7.847 -9.126
740 H GLY 89 H GLY 89 6.815 -5.448 -11.326
741 1HA GLY 89 2HA GLY 89 6.828 -3.319 -12.348
742 2HA GLY 89 1HA GLY 89 5.902 -2.722 -10.955
743 HA PRO 90 HA PRO 90 10.265 -2.984 -9.178
744 1HB PRO 90 2HB PRO 90 12.284 -3.987 -10.740
745 2HB PRO 90 1HB PRO 90 11.267 -4.987 -9.683
746 1HG PRO 90 2HG PRO 90 11.056 -4.522 -12.620
747 2HG PRO 90 1HG PRO 90 10.849 -6.020 -11.697
748 1HD PRO 90 2HD PRO 90 8.755 -4.567 -12.605
749 2HD PRO 90 1HD PRO 90 8.686 -5.512 -11.101
750 H VAL 91 HN VAL 91 12.686 -2.083 -9.915
751 HA VAL 91 HA VAL 91 12.221 0.569 -10.914
752 HB VAL 91 HB VAL 91 14.726 0.604 -10.693
753 1HG1 VAL 91 3HG1 VAL 91 12.747 0.092 -8.682
754 2HG1 VAL 91 2HG1 VAL 91 14.251 -0.699 -8.213
755 3HG1 VAL 91 1HG1 VAL 91 14.232 1.034 -8.540
756 1HG2 VAL 91 2HG2 VAL 91 14.609 -2.028 -11.313
757 2HG2 VAL 91 1HG2 VAL 91 15.964 -1.309 -10.443
758 3HG2 VAL 91 3HG2 VAL 91 14.683 -2.134 -9.554
No H/Q in entry = 758
Start of MODEL 4
1 1H GLY 1 3H GLY 1 -9.861 7.361 -9.550
2 2H GLY 1 2H GLY 1 -10.598 5.841 -9.373
3 3H GLY 1 1H GLY 1 -11.551 7.243 -9.477
4 1HA GLY 1 2HA GLY 1 -11.568 7.316 -7.274
5 2HA GLY 1 1HA GLY 1 -10.348 6.045 -7.193
6 H GLU 2 H GLU 2 -10.048 7.967 -5.345
7 HA GLU 2 HA GLU 2 -8.479 10.249 -6.215
8 1HB GLU 2 2HB GLU 2 -9.883 9.587 -4.011
9 2HB GLU 2 1HB GLU 2 -8.270 9.141 -3.455
10 1HG GLU 2 2HG GLU 2 -8.631 11.450 -2.853
11 2HG GLU 2 1HG GLU 2 -7.480 11.424 -4.189
12 H TRP 3 H TRP 3 -6.169 10.548 -5.689
13 HA TRP 3 HA TRP 3 -4.582 8.086 -5.203
14 1HB TRP 3 2HB TRP 3 -3.255 8.653 -7.307
15 2HB TRP 3 1HB TRP 3 -4.890 8.056 -7.592
16 HD1 TRP 3 HD1 TRP 3 -6.764 9.869 -8.259
17 HE1 TRP 3 HE1 TRP 3 -6.555 12.171 -9.402
18 HE3 TRP 3 HE3 TRP 3 -1.777 10.737 -7.588
19 HZ2 TRP 3 HZ2 TRP 3 -4.537 14.122 -9.958
20 HZ3 TRP 3 HZ3 TRP 3 -0.738 12.821 -8.432
21 HH2 TRP 3 HH2 TRP 3 -2.111 14.514 -9.616
22 H GLU 4 H GLU 4 -2.594 8.577 -4.227
23 HA GLU 4 HA GLU 4 -1.524 11.327 -4.296
24 1HB GLU 4 2HB GLU 4 -2.773 10.026 -1.862
25 2HB GLU 4 1HB GLU 4 -1.693 11.417 -1.751
26 1HG GLU 4 2HG GLU 4 -3.290 12.452 -3.552
27 2HG GLU 4 1HG GLU 4 -4.430 11.241 -2.966
28 H ILE 5 H ILE 5 0.364 11.325 -2.471
29 HA ILE 5 HA ILE 5 1.723 8.664 -2.552
30 HB ILE 5 HB ILE 5 2.786 9.799 -4.272
31 1HG1 ILE 5 2HG1 ILE 5 4.303 10.626 -1.788
32 2HG1 ILE 5 1HG1 ILE 5 4.468 9.091 -2.642
33 1HG2 ILE 5 2HG2 ILE 5 2.437 12.296 -2.606
34 2HG2 ILE 5 1HG2 ILE 5 3.410 12.254 -4.076
35 3HG2 ILE 5 3HG2 ILE 5 1.679 11.926 -4.155
36 1HD1 ILE 5 3HD1 ILE 5 4.817 10.964 -4.654
37 2HD1 ILE 5 2HD1 ILE 5 5.631 11.704 -3.275
38 3HD1 ILE 5 1HD1 ILE 5 6.111 10.098 -3.826
39 H ILE 6 H ILE 6 3.600 8.633 -1.044
40 HA ILE 6 HA ILE 6 3.424 10.491 1.273
41 HB ILE 6 HB ILE 6 3.460 7.600 1.972
42 1HG1 ILE 6 2HG1 ILE 6 1.686 7.845 0.105
43 2HG1 ILE 6 1HG1 ILE 6 1.140 7.178 1.639
44 1HG2 ILE 6 2HG2 ILE 6 2.238 10.147 3.014
45 2HG2 ILE 6 1HG2 ILE 6 1.751 8.579 3.654
46 3HG2 ILE 6 3HG2 ILE 6 3.431 9.101 3.782
47 1HD1 ILE 6 3HD1 ILE 6 0.980 10.081 1.646
48 2HD1 ILE 6 2HD1 ILE 6 0.050 9.388 0.317
49 3HD1 ILE 6 1HD1 ILE 6 -0.280 8.891 1.976
50 H ASP 7 H ASP 7 5.137 9.240 3.015
51 HA ASP 7 HA ASP 7 7.356 7.847 1.914
52 1HB ASP 7 2HB ASP 7 8.875 9.944 1.742
53 2HB ASP 7 1HB ASP 7 7.739 9.645 0.429
54 H ILE 8 H ILE 8 8.850 7.387 3.503
55 HA ILE 8 HA ILE 8 9.591 7.110 5.724
56 HB ILE 8 HB ILE 8 10.693 9.175 4.713
57 1HG1 ILE 8 2HG1 ILE 8 11.240 10.035 7.181
58 2HG1 ILE 8 1HG1 ILE 8 10.365 8.567 7.619
59 1HG2 ILE 8 3HG2 ILE 8 8.473 10.456 6.309
60 2HG2 ILE 8 2HG2 ILE 8 9.985 11.306 5.998
61 3HG2 ILE 8 1HG2 ILE 8 8.972 10.793 4.651
62 1HD1 ILE 8 2HD1 ILE 8 12.135 7.919 5.473
63 2HD1 ILE 8 1HD1 ILE 8 13.060 8.802 6.688
64 3HD1 ILE 8 3HD1 ILE 8 12.186 7.338 7.138
65 H GLY 9 H GLY 9 6.606 7.470 5.310
66 1HA GLY 9 2HA GLY 9 6.023 8.342 8.112
67 2HA GLY 9 1HA GLY 9 4.961 8.779 6.784
68 HA PRO 10 HA PRO 10 2.704 5.204 7.930
69 1HB PRO 10 2HB PRO 10 0.841 5.336 5.940
70 2HB PRO 10 1HB PRO 10 0.867 6.445 7.323
71 1HG PRO 10 2HG PRO 10 1.643 6.914 4.524
72 2HG PRO 10 1HG PRO 10 1.070 8.055 5.746
73 1HD PRO 10 2HD PRO 10 3.741 7.657 4.909
74 2HD PRO 10 1HD PRO 10 3.187 8.636 6.283
75 H PHE 11 H PHE 11 2.819 5.366 4.336
76 HA PHE 11 HA PHE 11 2.672 2.674 3.740
77 1HB PHE 11 2HB PHE 11 4.170 5.001 2.592
78 2HB PHE 11 1HB PHE 11 4.447 3.404 1.898
79 HD1 PHE 11 HD2 PHE 11 1.665 2.243 2.359
80 HD2 PHE 11 HD1 PHE 11 2.969 6.035 0.815
81 HE1 PHE 11 HE2 PHE 11 -0.445 2.448 1.088
82 HE2 PHE 11 HE1 PHE 11 0.858 6.236 -0.463
83 HZ PHE 11 HZ PHE 11 -0.852 4.438 -0.326
84 H THR 12 H THR 12 5.297 4.343 5.280
85 HA THR 12 HA THR 12 7.350 2.355 4.919
86 HB THR 12 HB THR 12 8.531 3.770 6.378
87 HG1 THR 12 HG1 THR 12 6.277 4.918 7.517
88 1HG2 THR 12 2HG2 THR 12 7.321 4.991 4.397
89 2HG2 THR 12 1HG2 THR 12 6.398 5.747 5.694
90 3HG2 THR 12 3HG2 THR 12 8.146 5.941 5.630
91 H GLN 13 H GLN 13 5.468 3.268 7.804
92 HA GLN 13 HA GLN 13 6.033 0.831 9.240
93 1HB GLN 13 2HB GLN 13 5.400 2.862 10.389
94 2HB GLN 13 1HB GLN 13 3.908 2.981 9.457
95 1HG GLN 13 2HG GLN 13 2.818 1.527 10.810
96 2HG GLN 13 1HG GLN 13 4.191 0.421 10.865
97 1HE2 GLN 13 2HE2 GLN 13 4.111 3.495 13.610
98 2HE2 GLN 13 1HE2 GLN 13 3.401 3.736 12.087
99 H ASN 14 H ASN 14 3.845 1.631 6.733
100 HA ASN 14 HA ASN 14 1.864 -0.441 7.276
101 1HB ASN 14 2HB ASN 14 2.435 1.669 5.287
102 2HB ASN 14 1HB ASN 14 1.526 0.286 4.679
103 1HD2 ASN 14 2HD2 ASN 14 -0.169 2.571 7.659
104 2HD2 ASN 14 1HD2 ASN 14 1.523 2.503 7.533
105 H LEU 15 H LEU 15 4.144 0.024 4.607
106 HA LEU 15 HA LEU 15 4.039 -2.389 3.297
107 1HB LEU 15 2HB LEU 15 5.691 -1.175 2.318
108 2HB LEU 15 1HB LEU 15 5.975 -0.268 3.798
109 HG LEU 15 HG LEU 15 7.403 -2.089 4.651
110 1HD1 LEU 15 1HD1 LEU 15 6.291 -3.443 2.270
111 2HD1 LEU 15 3HD1 LEU 15 8.016 -3.693 2.532
112 3HD1 LEU 15 2HD1 LEU 15 6.863 -4.128 3.791
113 1HD2 LEU 15 2HD2 LEU 15 7.928 -0.584 2.171
114 2HD2 LEU 15 1HD2 LEU 15 8.905 -0.717 3.633
115 3HD2 LEU 15 3HD2 LEU 15 8.984 -1.977 2.402
116 H GLY 16 H GLY 16 6.021 -1.774 6.221
117 1HA GLY 16 2HA GLY 16 7.043 -4.376 6.566
118 2HA GLY 16 1HA GLY 16 6.722 -3.263 7.898
119 H LYS 17 H LYS 17 4.103 -3.023 8.123
120 HA LYS 17 HA LYS 17 3.201 -5.575 9.114
121 1HB LYS 17 2HB LYS 17 2.641 -2.946 9.539
122 2HB LYS 17 1HB LYS 17 1.240 -3.430 8.582
123 1HG LYS 17 2HG LYS 17 0.428 -4.804 10.218
124 2HG LYS 17 1HG LYS 17 2.038 -5.306 10.736
125 1HD LYS 17 2HD LYS 17 2.321 -3.445 12.117
126 2HD LYS 17 1HD LYS 17 1.137 -2.483 11.231
127 1HE LYS 17 2HE LYS 17 0.095 -3.110 13.319
128 2HE LYS 17 1HE LYS 17 -0.632 -4.140 12.070
129 1HZ LYS 17 3HZ LYS 17 1.200 -5.759 12.553
130 2HZ LYS 17 2HZ LYS 17 1.582 -4.828 13.922
131 3HZ LYS 17 1HZ LYS 17 0.064 -5.580 13.799
132 H PHE 18 H PHE 18 1.563 -3.544 6.746
133 HA PHE 18 HA PHE 18 -0.235 -5.256 5.609
134 1HB PHE 18 2HB PHE 18 1.473 -3.040 4.645
135 2HB PHE 18 1HB PHE 18 0.704 -4.011 3.389
136 HD1 PHE 18 HD2 PHE 18 -0.709 -3.495 6.769
137 HD2 PHE 18 HD1 PHE 18 -0.878 -2.350 2.633
138 HE1 PHE 18 HE2 PHE 18 -2.858 -2.327 7.182
139 HE2 PHE 18 HE1 PHE 18 -3.028 -1.182 3.045
140 HZ PHE 18 HZ PHE 18 -4.018 -1.170 5.319
141 H ALA 19 H ALA 19 2.979 -4.896 4.181
142 HA ALA 19 HA ALA 19 2.984 -6.975 2.361
143 1HB ALA 19 3HB ALA 19 4.800 -5.306 2.866
144 2HB ALA 19 2HB ALA 19 5.254 -6.293 4.255
145 3HB ALA 19 1HB ALA 19 5.400 -6.946 2.624
146 H VAL 20 H VAL 20 4.588 -7.488 5.516
147 HA VAL 20 HA VAL 20 4.740 -10.234 5.560
148 HB VAL 20 HB VAL 20 4.113 -8.177 7.668
149 1HG1 VAL 20 3HG1 VAL 20 3.994 -11.132 7.907
150 2HG1 VAL 20 2HG1 VAL 20 4.944 -10.305 9.143
151 3HG1 VAL 20 1HG1 VAL 20 3.245 -9.891 8.912
152 1HG2 VAL 20 2HG2 VAL 20 6.498 -9.772 6.756
153 2HG2 VAL 20 1HG2 VAL 20 6.348 -8.027 6.959
154 3HG2 VAL 20 3HG2 VAL 20 6.462 -9.072 8.375
155 H ASP 21 H ASP 21 1.784 -8.347 5.838
156 HA ASP 21 HA ASP 21 0.211 -10.747 6.600
157 1HB ASP 21 2HB ASP 21 -0.380 -7.805 6.165
158 2HB ASP 21 1HB ASP 21 -1.645 -8.982 6.519
159 H GLU 22 H GLU 22 -0.384 -8.229 4.111
160 HA GLU 22 HA GLU 22 -1.910 -9.921 2.433
161 1HB GLU 22 2HB GLU 22 -0.121 -7.600 1.659
162 2HB GLU 22 1HB GLU 22 -1.520 -8.181 0.755
163 1HG GLU 22 2HG GLU 22 -1.499 -6.867 3.480
164 2HG GLU 22 1HG GLU 22 -2.291 -6.297 2.014
165 H GLU 23 H GLU 23 1.558 -9.444 2.642
166 HA GLU 23 HA GLU 23 2.256 -10.954 0.279
167 1HB GLU 23 2HB GLU 23 3.605 -9.313 1.864
168 2HB GLU 23 1HB GLU 23 3.978 -10.797 2.740
169 1HG GLU 23 2HG GLU 23 4.436 -11.575 0.158
170 2HG GLU 23 1HG GLU 23 4.924 -9.882 0.098
171 H ASN 24 H ASN 24 2.374 -11.830 3.763
172 HA ASN 24 HA ASN 24 2.799 -14.629 3.309
173 1HB ASN 24 2HB ASN 24 1.485 -13.026 5.529
174 2HB ASN 24 1HB ASN 24 1.778 -14.761 5.655
175 1HD2 ASN 24 2HD2 ASN 24 4.973 -13.999 6.948
176 2HD2 ASN 24 1HD2 ASN 24 3.484 -14.779 7.191
177 H LYS 25 H LYS 25 -0.185 -12.720 3.796
178 HA LYS 25 HA LYS 25 -2.078 -14.808 3.561
179 1HB LYS 25 2HB LYS 25 -1.978 -11.873 3.003
180 2HB LYS 25 1HB LYS 25 -3.399 -12.773 2.473
181 1HG LYS 25 2HG LYS 25 -2.948 -13.704 5.060
182 2HG LYS 25 1HG LYS 25 -2.623 -11.973 5.169
183 1HD LYS 25 2HD LYS 25 -4.877 -11.765 5.359
184 2HD LYS 25 1HD LYS 25 -4.888 -12.023 3.614
185 1HE LYS 25 2HE LYS 25 -5.014 -14.527 4.102
186 2HE LYS 25 1HE LYS 25 -5.343 -14.084 5.789
187 1HZ LYS 25 3HZ LYS 25 -6.828 -12.925 3.499
188 2HZ LYS 25 2HZ LYS 25 -7.363 -14.306 4.331
189 3HZ LYS 25 1HZ LYS 25 -7.217 -12.823 5.146
190 H ILE 26 H ILE 26 -0.763 -12.732 1.002
191 HA ILE 26 HA ILE 26 -2.073 -14.053 -1.170
192 HB ILE 26 HB ILE 26 -0.747 -11.773 -0.952
193 1HG1 ILE 26 2HG1 ILE 26 -2.051 -12.515 -2.914
194 2HG1 ILE 26 1HG1 ILE 26 -0.566 -11.694 -3.396
195 1HG2 ILE 26 3HG2 ILE 26 1.400 -13.548 -0.851
196 2HG2 ILE 26 2HG2 ILE 26 1.405 -12.970 -2.513
197 3HG2 ILE 26 1HG2 ILE 26 1.497 -11.822 -1.182
198 1HD1 ILE 26 1HD1 ILE 26 0.384 -14.199 -3.282
199 2HD1 ILE 26 3HD1 ILE 26 -1.303 -14.572 -3.636
200 3HD1 ILE 26 2HD1 ILE 26 -0.375 -13.553 -4.738
201 H GLY 27 H GLY 27 0.563 -15.013 0.791
202 1HA GLY 27 2HA GLY 27 1.176 -17.431 0.622
203 2HA GLY 27 1HA GLY 27 1.165 -17.228 -1.130
204 H GLN 28 H GLN 28 2.626 -15.310 1.513
205 HA GLN 28 HA GLN 28 5.331 -15.932 0.471
206 1HB GLN 28 2HB GLN 28 3.779 -13.499 -0.048
207 2HB GLN 28 1HB GLN 28 5.358 -13.162 0.661
208 1HG GLN 28 2HG GLN 28 6.197 -13.407 -1.422
209 2HG GLN 28 1HG GLN 28 5.905 -15.135 -1.217
210 1HE2 GLN 28 2HE2 GLN 28 3.988 -13.450 -4.171
211 2HE2 GLN 28 1HE2 GLN 28 5.523 -13.042 -3.572
212 H TYR 29 H TYR 29 5.258 -16.889 2.724
213 HA TYR 29 HA TYR 29 5.500 -14.824 4.877
214 1HB TYR 29 2HB TYR 29 5.141 -16.841 6.344
215 2HB TYR 29 1HB TYR 29 3.811 -16.545 5.223
216 HD1 TYR 29 HD1 TYR 29 6.893 -18.570 5.747
217 HD2 TYR 29 HD2 TYR 29 3.224 -18.135 3.555
218 HE1 TYR 29 HE1 TYR 29 7.204 -20.832 4.776
219 HE2 TYR 29 HE2 TYR 29 3.535 -20.397 2.586
220 HH TYR 29 HH TYR 29 5.020 -22.634 3.579
221 H GLY 30 H GLY 30 7.625 -15.573 2.874
222 1HA GLY 30 2HA GLY 30 9.608 -17.289 3.731
223 2HA GLY 30 1HA GLY 30 9.979 -15.710 3.035
224 H ARG 31 H ARG 31 9.258 -13.907 4.886
225 HA ARG 31 HA ARG 31 9.970 -14.660 7.609
226 1HB ARG 31 2HB ARG 31 12.058 -12.870 7.070
227 2HB ARG 31 1HB ARG 31 12.222 -14.604 7.322
228 1HG ARG 31 2HG ARG 31 12.195 -15.051 4.983
229 2HG ARG 31 1HG ARG 31 11.589 -13.438 4.604
230 1HD ARG 31 2HD ARG 31 13.752 -12.502 5.553
231 2HD ARG 31 1HD ARG 31 14.356 -14.171 5.614
232 HE ARG 31 HE ARG 31 13.190 -13.364 3.034
233 1HH1 ARG 31 1HH2 ARG 31 15.320 -15.507 3.649
234 2HH1 ARG 31 2HH2 ARG 31 16.717 -14.778 2.930
235 1HH2 ARG 31 2HH1 ARG 31 15.281 -11.632 2.688
236 2HH2 ARG 31 1HH1 ARG 31 16.695 -12.584 2.386
237 H LEU 32 H LEU 32 10.889 -11.719 5.863
238 HA LEU 32 HA LEU 32 8.551 -10.270 6.995
239 1HB LEU 32 2HB LEU 32 10.411 -8.519 7.706
240 2HB LEU 32 1HB LEU 32 10.038 -9.885 8.755
241 HG LEU 32 HG LEU 32 11.915 -11.154 7.797
242 1HD1 LEU 32 2HD1 LEU 32 11.931 -8.829 5.938
243 2HD1 LEU 32 1HD1 LEU 32 13.501 -9.482 6.402
244 3HD1 LEU 32 3HD1 LEU 32 12.309 -10.523 5.626
245 1HD2 LEU 32 3HD2 LEU 32 12.247 -8.515 9.106
246 2HD2 LEU 32 2HD2 LEU 32 12.820 -10.104 9.614
247 3HD2 LEU 32 1HD2 LEU 32 13.708 -9.195 8.391
248 H THR 33 H THR 33 8.157 -8.261 5.877
249 HA THR 33 HA THR 33 9.600 -8.049 3.263
250 HB THR 33 HB THR 33 7.196 -6.680 3.077
251 HG1 THR 33 HG1 THR 33 5.964 -8.729 3.995
252 1HG2 THR 33 1HG2 THR 33 8.150 -8.297 1.453
253 2HG2 THR 33 3HG2 THR 33 7.693 -9.620 2.526
254 3HG2 THR 33 2HG2 THR 33 6.447 -8.622 1.777
255 H PHE 34 H PHE 34 10.913 -6.802 5.301
256 HA PHE 34 HA PHE 34 10.601 -3.945 4.607
257 1HB PHE 34 2HB PHE 34 9.069 -4.665 6.583
258 2HB PHE 34 1HB PHE 34 10.565 -4.781 7.507
259 HD1 PHE 34 HD1 PHE 34 11.648 -2.417 5.457
260 HD2 PHE 34 HD2 PHE 34 8.495 -2.872 8.341
261 HE1 PHE 34 HE1 PHE 34 11.617 0.037 5.811
262 HE2 PHE 34 HE2 PHE 34 8.465 -0.417 8.693
263 HZ PHE 34 HZ PHE 34 10.026 1.037 7.430
264 H ASN 35 H ASN 35 12.756 -3.975 3.827
265 HA ASN 35 HA ASN 35 14.858 -4.370 5.920
266 1HB ASN 35 2HB ASN 35 14.554 -6.291 4.280
267 2HB ASN 35 1HB ASN 35 15.080 -5.182 3.013
268 1HD2 ASN 35 2HD2 ASN 35 17.817 -6.464 5.797
269 2HD2 ASN 35 1HD2 ASN 35 16.160 -6.581 6.145
270 H LYS 36 H LYS 36 14.717 -3.310 2.476
271 HA LYS 36 HA LYS 36 16.759 -1.309 2.884
272 1HB LYS 36 2HB LYS 36 16.202 -2.516 0.767
273 2HB LYS 36 1HB LYS 36 14.719 -1.573 0.661
274 1HG LYS 36 2HG LYS 36 16.216 -0.329 -0.658
275 2HG LYS 36 1HG LYS 36 16.299 0.490 0.902
276 1HD LYS 36 2HD LYS 36 18.163 -1.699 0.893
277 2HD LYS 36 1HD LYS 36 18.432 -0.706 -0.539
278 1HE LYS 36 2HE LYS 36 18.532 1.323 0.899
279 2HE LYS 36 1HE LYS 36 18.336 0.291 2.331
280 1HZ LYS 36 1HZ LYS 36 20.280 -0.975 1.638
281 2HZ LYS 36 3HZ LYS 36 20.484 0.035 0.291
282 3HZ LYS 36 2HZ LYS 36 20.680 0.662 1.858
283 H VAL 37 H VAL 37 14.139 0.113 1.161
284 HA VAL 37 HA VAL 37 13.059 1.551 3.507
285 HB VAL 37 HB VAL 37 15.051 2.635 1.533
286 1HG1 VAL 37 3HG1 VAL 37 13.116 4.277 3.198
287 2HG1 VAL 37 2HG1 VAL 37 14.475 4.921 2.276
288 3HG1 VAL 37 1HG1 VAL 37 13.121 4.166 1.437
289 1HG2 VAL 37 1HG2 VAL 37 14.753 2.368 4.493
290 2HG2 VAL 37 3HG2 VAL 37 16.169 2.095 3.479
291 3HG2 VAL 37 2HG2 VAL 37 15.674 3.740 3.878
292 H ILE 38 H ILE 38 11.563 3.380 2.723
293 HA ILE 38 HA ILE 38 10.168 2.601 0.175
294 HB ILE 38 HB ILE 38 8.754 1.944 1.926
295 1HG1 ILE 38 2HG1 ILE 38 7.821 3.803 0.323
296 2HG1 ILE 38 1HG1 ILE 38 6.877 3.324 1.729
297 1HG2 ILE 38 1HG2 ILE 38 9.846 4.350 3.379
298 2HG2 ILE 38 3HG2 ILE 38 8.380 3.540 3.926
299 3HG2 ILE 38 2HG2 ILE 38 9.901 2.654 3.858
300 1HD1 ILE 38 1HD1 ILE 38 8.751 5.431 2.425
301 2HD1 ILE 38 3HD1 ILE 38 7.730 5.920 1.076
302 3HD1 ILE 38 2HD1 ILE 38 6.999 5.401 2.594
303 H ARG 39 H ARG 39 9.890 4.217 -1.269
304 HA ARG 39 HA ARG 39 10.079 7.044 -0.341
305 1HB ARG 39 2HB ARG 39 11.885 5.509 -2.078
306 2HB ARG 39 1HB ARG 39 11.348 7.028 -2.800
307 1HG ARG 39 2HG ARG 39 11.938 7.569 -0.073
308 2HG ARG 39 1HG ARG 39 13.285 6.629 -0.716
309 1HD ARG 39 2HD ARG 39 12.143 9.167 -1.942
310 2HD ARG 39 1HD ARG 39 13.714 9.006 -1.131
311 HE ARG 39 HE ARG 39 13.014 7.468 -3.607
312 1HH1 ARG 39 1HH2 ARG 39 15.299 6.229 -3.243
313 2HH1 ARG 39 2HH2 ARG 39 16.612 7.320 -3.539
314 1HH2 ARG 39 2HH1 ARG 39 14.655 10.169 -3.264
315 2HH2 ARG 39 1HH1 ARG 39 16.247 9.550 -3.551
316 HA PRO 40 HA PRO 40 7.572 7.040 -4.293
317 1HB PRO 40 2HB PRO 40 7.623 4.925 -6.032
318 2HB PRO 40 1HB PRO 40 8.783 6.263 -6.081
319 1HG PRO 40 2HG PRO 40 9.158 3.504 -5.177
320 2HG PRO 40 1HG PRO 40 10.344 4.679 -5.737
321 1HD PRO 40 2HD PRO 40 9.809 3.933 -3.057
322 2HD PRO 40 1HD PRO 40 10.889 5.214 -3.631
323 H CYS 41 H CYS 41 6.759 5.914 -1.877
324 HA CYS 41 HA CYS 41 4.945 3.651 -2.344
325 1HB CYS 41 2HB CYS 41 4.296 4.206 0.020
326 2HB CYS 41 1HB CYS 41 6.038 4.031 -0.178
327 HG CYS 41 HG CYS 41 4.916 6.405 0.999
328 H MET 42 H MET 42 3.756 4.736 -4.190
329 HA MET 42 HA MET 42 2.148 7.124 -3.611
330 1HB MET 42 2HB MET 42 3.020 5.517 -5.852
331 2HB MET 42 1HB MET 42 1.286 5.824 -5.965
332 1HG MET 42 2HG MET 42 2.219 8.283 -5.201
333 2HG MET 42 1HG MET 42 3.546 7.705 -6.208
334 1HE MET 42 2HE MET 42 3.742 7.992 -8.385
335 2HE MET 42 1HE MET 42 2.922 6.473 -8.735
336 3HE MET 42 3HE MET 42 2.520 7.931 -9.653
337 H LYS 43 H LYS 43 -0.024 7.157 -3.051
338 HA LYS 43 HA LYS 43 -1.343 4.520 -2.513
339 1HB LYS 43 2HB LYS 43 -0.967 6.231 -0.702
340 2HB LYS 43 1HB LYS 43 -2.002 7.340 -1.594
341 1HG LYS 43 2HG LYS 43 -3.317 4.786 -1.317
342 2HG LYS 43 1HG LYS 43 -2.815 5.382 0.266
343 1HD LYS 43 2HD LYS 43 -3.806 7.649 -1.019
344 2HD LYS 43 1HD LYS 43 -4.923 6.370 -1.493
345 1HE LYS 43 2HE LYS 43 -5.855 6.364 0.572
346 2HE LYS 43 1HE LYS 43 -4.265 6.138 1.327
347 1HZ LYS 43 2HZ LYS 43 -4.918 8.749 0.158
348 2HZ LYS 43 1HZ LYS 43 -5.582 8.357 1.671
349 3HZ LYS 43 3HZ LYS 43 -3.898 8.379 1.466
350 H LYS 44 H LYS 44 -3.614 4.296 -3.090
351 HA LYS 44 HA LYS 44 -4.886 6.279 -4.849
352 1HB LYS 44 2HB LYS 44 -3.468 3.833 -5.794
353 2HB LYS 44 1HB LYS 44 -5.028 4.174 -6.545
354 1HG LYS 44 2HG LYS 44 -3.820 6.660 -6.509
355 2HG LYS 44 1HG LYS 44 -2.467 5.577 -6.843
356 1HD LYS 44 2HD LYS 44 -4.445 4.552 -8.466
357 2HD LYS 44 1HD LYS 44 -4.757 6.287 -8.544
358 1HE LYS 44 2HE LYS 44 -2.754 6.736 -9.601
359 2HE LYS 44 1HE LYS 44 -1.911 5.402 -8.790
360 1HZ LYS 44 2HZ LYS 44 -3.473 3.900 -10.076
361 2HZ LYS 44 1HZ LYS 44 -3.833 5.254 -11.037
362 3HZ LYS 44 3HZ LYS 44 -2.246 4.658 -10.975
363 H THR 45 H THR 45 -6.783 6.195 -3.587
364 HA THR 45 HA THR 45 -8.041 3.481 -3.300
365 HB THR 45 HB THR 45 -7.769 5.846 -1.452
366 HG1 THR 45 HG1 THR 45 -7.668 3.278 -0.514
367 1HG2 THR 45 1HG2 THR 45 -10.080 4.038 -1.705
368 2HG2 THR 45 3HG2 THR 45 -9.402 4.107 -0.081
369 3HG2 THR 45 2HG2 THR 45 -9.951 5.584 -0.873
370 H ILE 46 H ILE 46 -10.342 3.411 -3.449
371 HA ILE 46 HA ILE 46 -11.665 5.851 -4.590
372 HB ILE 46 HB ILE 46 -11.157 4.257 -6.377
373 1HG1 ILE 46 2HG1 ILE 46 -13.922 4.721 -5.410
374 2HG1 ILE 46 1HG1 ILE 46 -13.212 5.071 -6.982
375 1HG2 ILE 46 3HG2 ILE 46 -10.816 2.299 -4.900
376 2HG2 ILE 46 2HG2 ILE 46 -12.553 2.226 -4.599
377 3HG2 ILE 46 1HG2 ILE 46 -11.924 1.914 -6.217
378 1HD1 ILE 46 1HD1 ILE 46 -14.058 2.322 -6.021
379 2HD1 ILE 46 3HD1 ILE 46 -14.974 3.337 -7.135
380 3HD1 ILE 46 2HD1 ILE 46 -13.398 2.704 -7.611
381 H TYR 47 H TYR 47 -11.886 5.615 -2.024
382 HA TYR 47 HA TYR 47 -13.947 3.718 -1.181
383 1HB TYR 47 2HB TYR 47 -13.415 4.582 1.024
384 2HB TYR 47 1HB TYR 47 -11.922 4.307 0.136
385 HD1 TYR 47 HD2 TYR 47 -13.031 7.039 -1.560
386 HD2 TYR 47 HD1 TYR 47 -11.723 6.018 2.408
387 HE1 TYR 47 HE2 TYR 47 -12.379 9.390 -1.168
388 HE2 TYR 47 HE1 TYR 47 -11.070 8.377 2.791
389 HH TYR 47 HH TYR 47 -12.118 10.882 1.044
390 H GLU 48 H GLU 48 -15.081 5.416 0.813
391 HA GLU 48 HA GLU 48 -17.389 6.434 -0.554
392 1HB GLU 48 2HB GLU 48 -18.116 6.896 1.656
393 2HB GLU 48 1HB GLU 48 -17.033 5.520 1.809
394 1HG GLU 48 2HG GLU 48 -16.457 8.413 2.504
395 2HG GLU 48 1HG GLU 48 -16.366 7.020 3.550
396 H ASN 49 H ASN 49 -17.649 8.786 1.222
397 HA ASN 49 HA ASN 49 -15.977 10.723 -0.377
398 1HB ASN 49 2HB ASN 49 -17.956 12.263 0.342
399 2HB ASN 49 1HB ASN 49 -18.265 11.059 -0.909
400 1HD2 ASN 49 2HD2 ASN 49 -20.383 9.064 1.166
401 2HD2 ASN 49 1HD2 ASN 49 -19.411 9.049 -0.225
402 H GLU 50 H GLU 50 -17.587 10.211 2.728
403 HA GLU 50 HA GLU 50 -15.250 11.004 4.265
404 1HB GLU 50 2HB GLU 50 -16.426 13.120 3.246
405 2HB GLU 50 1HB GLU 50 -17.634 12.831 4.498
406 1HG GLU 50 2HG GLU 50 -16.093 13.173 6.242
407 2HG GLU 50 1HG GLU 50 -14.703 12.904 5.190
408 H ARG 51 H ARG 51 -17.472 8.891 4.012
409 HA ARG 51 HA ARG 51 -18.017 8.736 6.923
410 1HB ARG 51 2HB ARG 51 -19.789 10.085 5.544
411 2HB ARG 51 1HB ARG 51 -20.320 8.490 5.010
412 1HG ARG 51 2HG ARG 51 -21.313 8.070 6.990
413 2HG ARG 51 1HG ARG 51 -19.865 8.542 7.882
414 1HD ARG 51 2HD ARG 51 -21.117 10.890 6.738
415 2HD ARG 51 1HD ARG 51 -22.283 9.989 7.727
416 HE ARG 51 HE ARG 51 -19.844 10.003 9.153
417 1HH1 ARG 51 1HH2 ARG 51 -21.272 12.624 7.584
418 2HH1 ARG 51 2HH2 ARG 51 -21.432 13.604 9.004
419 1HH2 ARG 51 2HH1 ARG 51 -20.445 11.087 11.175
420 2HH2 ARG 51 1HH1 ARG 51 -20.964 12.734 11.036
421 H GLU 52 H GLU 52 -18.213 7.183 3.696
422 HA GLU 52 HA GLU 52 -18.570 4.546 5.115
423 1HB GLU 52 2HB GLU 52 -18.789 5.062 2.153
424 2HB GLU 52 1HB GLU 52 -19.548 3.788 3.103
425 1HG GLU 52 2HG GLU 52 -20.413 6.200 4.260
426 2HG GLU 52 1HG GLU 52 -20.522 6.447 2.516
427 H ILE 53 H ILE 53 -17.677 2.988 2.957
428 HA ILE 53 HA ILE 53 -14.836 3.642 2.432
429 HB ILE 53 HB ILE 53 -15.647 1.121 3.923
430 1HG1 ILE 53 2HG1 ILE 53 -15.872 3.195 5.339
431 2HG1 ILE 53 1HG1 ILE 53 -14.624 2.093 5.904
432 1HG2 ILE 53 1HG2 ILE 53 -13.610 1.117 2.406
433 2HG2 ILE 53 3HG2 ILE 53 -12.909 2.335 3.472
434 3HG2 ILE 53 2HG2 ILE 53 -13.283 0.727 4.095
435 1HD1 ILE 53 2HD1 ILE 53 -13.709 4.096 3.932
436 2HD1 ILE 53 1HD1 ILE 53 -14.202 4.752 5.493
437 3HD1 ILE 53 3HD1 ILE 53 -12.931 3.531 5.410
438 H LYS 54 H LYS 54 -14.366 2.844 0.370
439 HA LYS 54 HA LYS 54 -16.228 0.741 -0.686
440 1HB LYS 54 2HB LYS 54 -15.702 3.376 -1.539
441 2HB LYS 54 1HB LYS 54 -14.958 2.312 -2.734
442 1HG LYS 54 2HG LYS 54 -17.248 1.001 -2.507
443 2HG LYS 54 1HG LYS 54 -17.837 2.570 -1.956
444 1HD LYS 54 2HD LYS 54 -17.304 3.624 -3.999
445 2HD LYS 54 1HD LYS 54 -16.212 2.327 -4.484
446 1HE LYS 54 2HE LYS 54 -18.570 0.950 -4.186
447 2HE LYS 54 1HE LYS 54 -19.140 2.515 -4.801
448 1HZ LYS 54 2HZ LYS 54 -17.073 2.264 -6.349
449 2HZ LYS 54 1HZ LYS 54 -17.275 0.606 -6.033
450 3HZ LYS 54 3HZ LYS 54 -18.534 1.491 -6.746
451 H GLY 55 H GLY 55 -12.998 2.082 -1.714
452 1HA GLY 55 2HA GLY 55 -12.004 -0.719 -1.587
453 2HA GLY 55 1HA GLY 55 -11.929 0.106 -3.143
454 H TYR 56 H TYR 56 -9.591 -0.801 -1.921
455 HA TYR 56 HA TYR 56 -8.220 1.792 -1.479
456 1HB TYR 56 2HB TYR 56 -9.103 0.705 0.693
457 2HB TYR 56 1HB TYR 56 -7.850 -0.510 0.439
458 HD1 TYR 56 HD1 TYR 56 -5.494 0.681 -0.367
459 HD2 TYR 56 HD2 TYR 56 -8.513 2.410 2.154
460 HE1 TYR 56 HE1 TYR 56 -3.807 2.220 0.597
461 HE2 TYR 56 HE2 TYR 56 -6.824 3.949 3.119
462 HH TYR 56 HH TYR 56 -3.462 3.959 1.940
463 H GLU 57 H GLU 57 -7.213 1.238 -3.560
464 HA GLU 57 HA GLU 57 -5.426 -1.146 -3.552
465 1HB GLU 57 2HB GLU 57 -5.244 -0.702 -5.923
466 2HB GLU 57 1HB GLU 57 -6.942 -0.495 -5.497
467 1HG GLU 57 2HG GLU 57 -6.804 1.857 -5.594
468 2HG GLU 57 1HG GLU 57 -5.043 1.849 -5.489
469 H TYR 58 H TYR 58 -3.095 -0.833 -3.725
470 HA TYR 58 HA TYR 58 -2.178 2.012 -3.421
471 1HB TYR 58 2HB TYR 58 -2.469 1.358 -1.184
472 2HB TYR 58 1HB TYR 58 -1.913 -0.284 -1.493
473 HD1 TYR 58 HD1 TYR 58 -0.383 2.920 -2.578
474 HD2 TYR 58 HD2 TYR 58 -0.011 -0.530 -0.065
475 HE1 TYR 58 HE1 TYR 58 1.909 3.623 -1.968
476 HE2 TYR 58 HE2 TYR 58 2.278 0.175 0.559
477 HH TYR 58 HH TYR 58 3.573 2.354 0.633
478 H GLN 59 H GLN 59 -0.204 2.425 -4.296
479 HA GLN 59 HA GLN 59 1.302 0.176 -5.541
480 1HB GLN 59 2HB GLN 59 1.366 3.203 -5.856
481 2HB GLN 59 1HB GLN 59 2.379 2.088 -6.773
482 1HG GLN 59 2HG GLN 59 0.172 0.936 -7.457
483 2HG GLN 59 1HG GLN 59 -0.622 2.398 -6.868
484 1HE2 GLN 59 2HE2 GLN 59 1.864 2.745 -10.137
485 2HE2 GLN 59 1HE2 GLN 59 2.181 1.535 -8.988
486 H LEU 60 H LEU 60 2.725 -0.605 -3.996
487 HA LEU 60 HA LEU 60 4.057 1.278 -2.114
488 1HB LEU 60 2HB LEU 60 2.926 -0.730 -1.240
489 2HB LEU 60 1HB LEU 60 3.867 -1.749 -2.305
490 HG LEU 60 HG LEU 60 5.914 -1.216 -1.140
491 1HD1 LEU 60 3HD1 LEU 60 5.285 1.194 -0.717
492 2HD1 LEU 60 2HD1 LEU 60 4.292 0.630 0.628
493 3HD1 LEU 60 1HD1 LEU 60 6.038 0.387 0.658
494 1HD2 LEU 60 1HD2 LEU 60 4.007 -2.753 -0.086
495 2HD2 LEU 60 3HD2 LEU 60 5.500 -2.422 0.791
496 3HD2 LEU 60 2HD2 LEU 60 4.036 -1.514 1.168
497 H TYR 61 H TYR 61 5.152 1.896 -4.418
498 HA TYR 61 HA TYR 61 7.190 0.072 -5.368
499 1HB TYR 61 2HB TYR 61 6.139 1.763 -6.748
500 2HB TYR 61 1HB TYR 61 6.666 3.034 -5.653
501 HD1 TYR 61 HD1 TYR 61 9.032 0.344 -6.103
502 HD2 TYR 61 HD2 TYR 61 7.699 4.081 -7.743
503 HE1 TYR 61 HE1 TYR 61 11.158 0.548 -7.360
504 HE2 TYR 61 HE2 TYR 61 9.826 4.286 -9.001
505 HH TYR 61 HH TYR 61 11.597 2.685 -9.889
506 H VAL 62 H VAL 62 8.702 -0.535 -3.850
507 HA VAL 62 HA VAL 62 10.532 1.522 -2.782
508 HB VAL 62 HB VAL 62 10.065 0.851 -0.436
509 1HG1 VAL 62 2HG1 VAL 62 8.790 2.748 -1.558
510 2HG1 VAL 62 1HG1 VAL 62 7.460 1.609 -1.772
511 3HG1 VAL 62 3HG1 VAL 62 8.005 2.032 -0.150
512 1HG2 VAL 62 3HG2 VAL 62 8.621 -1.243 -1.797
513 2HG2 VAL 62 2HG2 VAL 62 9.032 -1.116 -0.086
514 3HG2 VAL 62 1HG2 VAL 62 7.540 -0.396 -0.689
515 H TYR 63 H TYR 63 11.792 -0.012 -0.893
516 HA TYR 63 HA TYR 63 12.393 -2.598 -2.271
517 1HB TYR 63 2HB TYR 63 14.037 -0.693 -2.713
518 2HB TYR 63 1HB TYR 63 14.448 -0.779 -0.999
519 HD1 TYR 63 HD2 TYR 63 14.769 -3.361 -0.150
520 HD2 TYR 63 HD1 TYR 63 15.393 -1.906 -4.143
521 HE1 TYR 63 HE2 TYR 63 16.265 -5.281 -0.618
522 HE2 TYR 63 HE1 TYR 63 16.890 -3.828 -4.611
523 HH TYR 63 HH TYR 63 18.249 -5.429 -3.422
524 H ALA 64 H ALA 64 12.482 -4.295 -0.858
525 HA ALA 64 HA ALA 64 12.668 -3.664 2.058
526 1HB ALA 64 3HB ALA 64 10.356 -4.066 1.301
527 2HB ALA 64 2HB ALA 64 10.852 -5.612 0.610
528 3HB ALA 64 1HB ALA 64 10.899 -5.370 2.358
529 H SER 65 H SER 65 12.130 -6.782 2.137
530 HA SER 65 HA SER 65 15.009 -7.507 1.971
531 1HB SER 65 2HB SER 65 14.258 -8.279 3.997
532 2HB SER 65 1HB SER 65 12.582 -8.330 3.460
533 HG SER 65 HG SER 65 12.840 -10.355 2.972
534 H ASP 66 H ASP 66 11.873 -8.238 0.547
535 HA ASP 66 HA ASP 66 13.248 -9.969 -1.474
536 1HB ASP 66 2HB ASP 66 11.295 -11.498 -1.306
537 2HB ASP 66 1HB ASP 66 12.135 -11.355 0.239
538 H LYS 67 H LYS 67 11.541 -7.207 -0.963
539 HA LYS 67 HA LYS 67 9.989 -7.422 -3.524
540 1HB LYS 67 2HB LYS 67 8.410 -6.867 -1.962
541 2HB LYS 67 1HB LYS 67 9.597 -6.183 -0.859
542 1HG LYS 67 2HG LYS 67 9.226 -4.648 -3.358
543 2HG LYS 67 1HG LYS 67 7.812 -4.699 -2.307
544 1HD LYS 67 2HD LYS 67 10.441 -4.199 -1.002
545 2HD LYS 67 1HD LYS 67 9.764 -2.889 -1.970
546 1HE LYS 67 2HE LYS 67 9.097 -2.902 0.504
547 2HE LYS 67 1HE LYS 67 7.746 -2.851 -0.646
548 1HZ LYS 67 3HZ LYS 67 7.595 -5.269 -0.516
549 2HZ LYS 67 2HZ LYS 67 8.874 -5.306 0.601
550 3HZ LYS 67 1HZ LYS 67 7.399 -4.579 1.016
551 H LEU 68 H LEU 68 11.522 -6.728 -5.012
552 HA LEU 68 HA LEU 68 13.034 -4.211 -4.474
553 1HB LEU 68 2HB LEU 68 13.213 -6.493 -6.451
554 2HB LEU 68 1HB LEU 68 14.150 -5.014 -6.665
555 HG LEU 68 HG LEU 68 14.889 -5.403 -4.195
556 1HD1 LEU 68 1HD1 LEU 68 13.385 -7.854 -4.852
557 2HD1 LEU 68 3HD1 LEU 68 14.980 -8.144 -4.160
558 3HD1 LEU 68 2HD1 LEU 68 13.800 -7.176 -3.278
559 1HD2 LEU 68 3HD2 LEU 68 15.811 -7.223 -6.444
560 2HD2 LEU 68 2HD2 LEU 68 16.397 -5.588 -6.129
561 3HD2 LEU 68 1HD2 LEU 68 16.728 -6.882 -4.976
562 H PHE 69 H PHE 69 10.467 -3.443 -4.798
563 HA PHE 69 HA PHE 69 10.387 -1.787 -7.061
564 1HB PHE 69 2HB PHE 69 8.669 -3.285 -8.379
565 2HB PHE 69 1HB PHE 69 10.387 -3.558 -8.566
566 HD1 PHE 69 HD1 PHE 69 8.279 -4.481 -5.617
567 HD2 PHE 69 HD2 PHE 69 10.502 -5.886 -9.013
568 HE1 PHE 69 HE1 PHE 69 8.054 -6.806 -4.803
569 HE2 PHE 69 HE2 PHE 69 10.274 -8.213 -8.197
570 HZ PHE 69 HZ PHE 69 9.051 -8.674 -6.091
571 H ARG 70 H ARG 70 7.363 -3.314 -7.171
572 HA ARG 70 HA ARG 70 6.392 -1.528 -4.971
573 1HB ARG 70 2HB ARG 70 5.992 -0.782 -7.332
574 2HB ARG 70 1HB ARG 70 5.022 -2.234 -7.569
575 1HG ARG 70 2HG ARG 70 3.457 -1.530 -5.805
576 2HG ARG 70 1HG ARG 70 4.451 -0.116 -5.451
577 1HD ARG 70 2HD ARG 70 2.400 0.221 -7.017
578 2HD ARG 70 1HD ARG 70 3.947 0.898 -7.555
579 HE ARG 70 HE ARG 70 4.176 -0.949 -9.105
580 1HH1 ARG 70 1HH2 ARG 70 3.372 -3.358 -8.841
581 2HH1 ARG 70 2HH2 ARG 70 1.667 -3.491 -9.115
582 1HH2 ARG 70 2HH1 ARG 70 1.073 -0.094 -8.751
583 2HH2 ARG 70 1HH1 ARG 70 0.366 -1.644 -9.063
584 H ALA 71 H ALA 71 4.459 -2.127 -3.960
585 HA ALA 71 HA ALA 71 3.711 -5.025 -4.117
586 1HB ALA 71 1HB ALA 71 4.853 -3.680 -2.005
587 2HB ALA 71 3HB ALA 71 3.136 -3.457 -1.663
588 3HB ALA 71 2HB ALA 71 3.801 -5.083 -1.815
589 H ASP 72 H ASP 72 2.037 -4.542 -5.660
590 HA ASP 72 HA ASP 72 0.244 -2.315 -5.405
591 1HB ASP 72 2HB ASP 72 0.744 -3.519 -7.490
592 2HB ASP 72 1HB ASP 72 0.001 -4.978 -6.838
593 H ILE 73 H ILE 73 -0.379 -2.556 -3.080
594 HA ILE 73 HA ILE 73 -1.897 -4.833 -2.154
595 HB ILE 73 HB ILE 73 -1.337 -2.006 -1.317
596 1HG1 ILE 73 2HG1 ILE 73 0.161 -4.015 -0.863
597 2HG1 ILE 73 1HG1 ILE 73 -0.299 -3.074 0.556
598 1HG2 ILE 73 1HG2 ILE 73 -3.496 -3.789 -0.171
599 2HG2 ILE 73 3HG2 ILE 73 -2.749 -2.490 0.760
600 3HG2 ILE 73 2HG2 ILE 73 -3.649 -2.117 -0.711
601 1HD1 ILE 73 3HD1 ILE 73 -2.123 -4.673 1.022
602 2HD1 ILE 73 2HD1 ILE 73 -1.646 -5.620 -0.385
603 3HD1 ILE 73 1HD1 ILE 73 -0.557 -5.483 0.995
604 H SER 74 H SER 74 -3.826 -5.374 -3.076
605 HA SER 74 HA SER 74 -5.634 -3.150 -3.966
606 1HB SER 74 2HB SER 74 -4.560 -5.515 -5.216
607 2HB SER 74 1HB SER 74 -6.313 -5.663 -5.136
608 HG SER 74 HG SER 74 -4.992 -4.315 -6.883
609 H GLU 75 H GLU 75 -7.385 -2.970 -2.573
610 HA GLU 75 HA GLU 75 -8.811 -5.442 -1.750
611 1HB GLU 75 2HB GLU 75 -7.795 -3.405 0.257
612 2HB GLU 75 1HB GLU 75 -8.586 -4.942 0.611
613 1HG GLU 75 2HG GLU 75 -6.672 -6.108 -0.536
614 2HG GLU 75 1HG GLU 75 -5.862 -4.547 -0.660
615 H ASP 76 H ASP 76 -10.920 -4.986 -2.176
616 HA ASP 76 HA ASP 76 -11.909 -2.281 -2.513
617 1HB ASP 76 2HB ASP 76 -12.590 -4.773 -3.324
618 2HB ASP 76 1HB ASP 76 -13.758 -4.541 -2.025
619 H TYR 77 H TYR 77 -14.512 -3.087 -1.100
620 HA TYR 77 HA TYR 77 -14.042 -3.327 1.718
621 1HB TYR 77 2HB TYR 77 -13.153 -0.938 0.666
622 2HB TYR 77 1HB TYR 77 -14.767 -0.517 1.241
623 HD1 TYR 77 HD1 TYR 77 -15.380 -1.530 3.632
624 HD2 TYR 77 HD2 TYR 77 -11.395 -0.837 2.188
625 HE1 TYR 77 HE1 TYR 77 -14.543 -1.486 5.966
626 HE2 TYR 77 HE2 TYR 77 -10.556 -0.794 4.522
627 HH TYR 77 HH TYR 77 -12.685 -0.668 7.236
628 H LYS 78 H LYS 78 -16.103 -1.096 -0.199
629 HA LYS 78 HA LYS 78 -18.501 -1.941 1.243
630 1HB LYS 78 2HB LYS 78 -18.410 0.325 0.545
631 2HB LYS 78 1HB LYS 78 -17.843 -0.109 -1.069
632 1HG LYS 78 2HG LYS 78 -19.949 -0.542 -1.831
633 2HG LYS 78 1HG LYS 78 -20.456 -1.267 -0.305
634 1HD LYS 78 2HD LYS 78 -21.300 0.687 0.472
635 2HD LYS 78 1HD LYS 78 -19.911 1.611 -0.099
636 1HE LYS 78 2HE LYS 78 -21.027 1.048 -2.485
637 2HE LYS 78 1HE LYS 78 -22.489 1.037 -1.479
638 1HZ LYS 78 1HZ LYS 78 -21.577 3.146 -0.461
639 2HZ LYS 78 3HZ LYS 78 -20.484 3.200 -1.756
640 3HZ LYS 78 2HZ LYS 78 -22.154 3.278 -2.053
641 H THR 79 H THR 79 -17.489 -2.121 -2.194
642 HA THR 79 HA THR 79 -19.570 -4.024 -2.894
643 HB THR 79 HB THR 79 -17.020 -3.721 -4.438
644 HG1 THR 79 HG1 THR 79 -18.181 -1.670 -5.171
645 1HG2 THR 79 1HG2 THR 79 -19.968 -3.922 -4.993
646 2HG2 THR 79 3HG2 THR 79 -18.878 -3.284 -6.223
647 3HG2 THR 79 2HG2 THR 79 -18.652 -4.922 -5.610
648 H ARG 80 H ARG 80 -16.722 -4.284 -1.112
649 HA ARG 80 HA ARG 80 -15.552 -6.155 -0.287
650 1HB ARG 80 2HB ARG 80 -18.210 -7.037 -1.154
651 2HB ARG 80 1HB ARG 80 -17.017 -8.337 -1.196
652 1HG ARG 80 2HG ARG 80 -17.862 -8.404 1.014
653 2HG ARG 80 1HG ARG 80 -16.335 -7.531 1.162
654 1HD ARG 80 2HD ARG 80 -17.857 -6.180 2.380
655 2HD ARG 80 1HD ARG 80 -17.811 -5.393 0.790
656 HE ARG 80 HE ARG 80 -19.842 -6.893 0.250
657 1HH1 ARG 80 2HH1 ARG 80 -21.143 -8.295 1.895
658 2HH1 ARG 80 1HH1 ARG 80 -21.810 -7.344 3.181
659 1HH2 ARG 80 1HH2 ARG 80 -19.772 -4.606 2.572
660 2HH2 ARG 80 2HH2 ARG 80 -21.034 -5.256 3.564
661 H GLY 81 H GLY 81 -15.151 -5.078 -3.080
662 1HA GLY 81 2HA GLY 81 -14.708 -6.743 -5.156
663 2HA GLY 81 1HA GLY 81 -13.455 -5.608 -4.669
664 H ARG 82 H ARG 82 -11.839 -6.444 -2.997
665 HA ARG 82 HA ARG 82 -11.755 -9.318 -2.504
666 1HB ARG 82 2HB ARG 82 -10.707 -8.146 -4.957
667 2HB ARG 82 1HB ARG 82 -9.463 -9.025 -4.067
668 1HG ARG 82 2HG ARG 82 -11.305 -10.874 -3.834
669 2HG ARG 82 1HG ARG 82 -12.051 -10.051 -5.203
670 1HD ARG 82 2HD ARG 82 -9.862 -10.256 -6.439
671 2HD ARG 82 1HD ARG 82 -9.269 -11.264 -5.103
672 HE ARG 82 HE ARG 82 -11.086 -12.864 -5.600
673 1HH1 ARG 82 2HH1 ARG 82 -11.840 -10.174 -7.410
674 2HH1 ARG 82 1HH1 ARG 82 -12.083 -11.013 -8.906
675 1HH2 ARG 82 1HH2 ARG 82 -10.839 -14.026 -7.723
676 2HH2 ARG 82 2HH2 ARG 82 -11.515 -13.194 -9.083
677 H LYS 83 H LYS 83 -9.125 -9.766 -2.165
678 HA LYS 83 HA LYS 83 -7.884 -7.523 -0.668
679 1HB LYS 83 2HB LYS 83 -8.918 -10.132 0.461
680 2HB LYS 83 1HB LYS 83 -7.625 -9.242 1.265
681 1HG LYS 83 2HG LYS 83 -9.229 -8.010 2.261
682 2HG LYS 83 1HG LYS 83 -9.549 -7.297 0.680
683 1HD LYS 83 2HD LYS 83 -11.654 -8.133 1.322
684 2HD LYS 83 1HD LYS 83 -11.020 -9.405 0.277
685 1HE LYS 83 2HE LYS 83 -10.124 -9.811 3.010
686 2HE LYS 83 1HE LYS 83 -11.896 -9.723 2.930
687 1HZ LYS 83 3HZ LYS 83 -11.745 -11.216 0.951
688 2HZ LYS 83 2HZ LYS 83 -10.100 -11.445 1.310
689 3HZ LYS 83 1HZ LYS 83 -11.292 -11.948 2.412
690 H LEU 84 H LEU 84 -5.988 -7.582 -1.907
691 HA LEU 84 HA LEU 84 -4.165 -9.836 -1.566
692 1HB LEU 84 2HB LEU 84 -6.082 -10.189 -3.456
693 2HB LEU 84 1HB LEU 84 -4.857 -9.363 -4.420
694 HG LEU 84 HG LEU 84 -3.188 -11.022 -3.808
695 1HD1 LEU 84 1HD1 LEU 84 -5.366 -11.945 -1.951
696 2HD1 LEU 84 3HD1 LEU 84 -4.150 -13.087 -2.517
697 3HD1 LEU 84 2HD1 LEU 84 -3.661 -11.661 -1.604
698 1HD2 LEU 84 2HD2 LEU 84 -5.620 -11.605 -5.230
699 2HD2 LEU 84 1HD2 LEU 84 -3.993 -12.210 -5.544
700 3HD2 LEU 84 3HD2 LEU 84 -5.054 -13.072 -4.429
701 H LEU 85 H LEU 85 -2.312 -9.432 -3.438
702 HA LEU 85 HA LEU 85 -1.989 -6.656 -4.192
703 1HB LEU 85 2HB LEU 85 -0.494 -5.951 -2.554
704 2HB LEU 85 1HB LEU 85 -1.563 -6.989 -1.618
705 HG LEU 85 HG LEU 85 1.178 -7.656 -2.710
706 1HD1 LEU 85 2HD1 LEU 85 0.158 -6.697 -0.221
707 2HD1 LEU 85 1HD1 LEU 85 0.706 -8.354 0.031
708 3HD1 LEU 85 3HD1 LEU 85 1.818 -7.146 -0.610
709 1HD2 LEU 85 2HD2 LEU 85 -1.094 -9.415 -1.867
710 2HD2 LEU 85 1HD2 LEU 85 0.171 -9.715 -3.057
711 3HD2 LEU 85 3HD2 LEU 85 0.524 -9.869 -1.337
712 H ARG 86 H ARG 86 0.507 -6.359 -4.889
713 HA ARG 86 HA ARG 86 1.539 -8.940 -5.996
714 1HB ARG 86 2HB ARG 86 1.353 -6.500 -7.742
715 2HB ARG 86 1HB ARG 86 1.377 -8.199 -8.207
716 1HG ARG 86 2HG ARG 86 -0.903 -8.326 -6.943
717 2HG ARG 86 1HG ARG 86 -0.912 -6.572 -7.130
718 1HD ARG 86 2HD ARG 86 -1.325 -6.698 -9.375
719 2HD ARG 86 1HD ARG 86 -0.219 -8.069 -9.592
720 HE ARG 86 HE ARG 86 -2.048 -9.519 -9.238
721 1HH1 ARG 86 1HH2 ARG 86 -2.913 -8.870 -6.580
722 2HH1 ARG 86 2HH2 ARG 86 -4.453 -8.108 -6.797
723 1HH2 ARG 86 2HH1 ARG 86 -3.950 -7.449 -10.164
724 2HH2 ARG 86 1HH1 ARG 86 -5.041 -7.304 -8.826
725 H PHE 87 H PHE 87 3.730 -9.041 -5.739
726 HA PHE 87 HA PHE 87 5.234 -6.521 -5.128
727 1HB PHE 87 2HB PHE 87 6.174 -9.372 -4.778
728 2HB PHE 87 1HB PHE 87 6.705 -7.933 -3.910
729 HD1 PHE 87 HD1 PHE 87 3.878 -10.299 -4.366
730 HD2 PHE 87 HD2 PHE 87 5.545 -7.150 -1.966
731 HE1 PHE 87 HE1 PHE 87 2.173 -10.731 -2.617
732 HE2 PHE 87 HE2 PHE 87 3.839 -7.584 -0.220
733 HZ PHE 87 HZ PHE 87 2.158 -9.367 -0.551
734 H ASN 88 H ASN 88 5.442 -5.952 -7.487
735 HA ASN 88 HA ASN 88 7.764 -7.361 -8.652
736 1HB ASN 88 2HB ASN 88 5.845 -7.045 -10.755
737 2HB ASN 88 1HB ASN 88 6.662 -8.507 -10.217
738 1HD2 ASN 88 2HD2 ASN 88 2.757 -8.055 -9.423
739 2HD2 ASN 88 1HD2 ASN 88 3.609 -7.055 -10.495
740 H GLY 89 H GLY 89 7.439 -6.248 -11.262
741 1HA GLY 89 2HA GLY 89 7.709 -4.206 -12.426
742 2HA GLY 89 1HA GLY 89 7.104 -3.357 -10.993
743 HA PRO 90 HA PRO 90 11.514 -4.445 -9.676
744 1HB PRO 90 2HB PRO 90 13.061 -5.947 -11.368
745 2HB PRO 90 1HB PRO 90 12.018 -6.641 -10.109
746 1HG PRO 90 2HG PRO 90 11.494 -6.323 -13.030
747 2HG PRO 90 1HG PRO 90 11.141 -7.695 -11.965
748 1HD PRO 90 2HD PRO 90 9.240 -5.932 -12.707
749 2HD PRO 90 1HD PRO 90 9.235 -6.717 -11.111
750 H VAL 91 HN VAL 91 13.130 -2.892 -9.935
751 HA VAL 91 HA VAL 91 13.036 -1.089 -12.173
752 HB VAL 91 HB VAL 91 15.040 -0.171 -10.939
753 1HG1 VAL 91 3HG1 VAL 91 12.490 0.113 -10.342
754 2HG1 VAL 91 2HG1 VAL 91 12.928 -0.840 -8.924
755 3HG1 VAL 91 1HG1 VAL 91 13.725 0.703 -9.229
756 1HG2 VAL 91 3HG2 VAL 91 15.603 -2.627 -10.174
757 2HG2 VAL 91 2HG2 VAL 91 15.960 -1.273 -9.103
758 3HG2 VAL 91 1HG2 VAL 91 14.514 -2.246 -8.841
No H/Q in entry = 758
Start of MODEL 5
1 1H GLY 1 3H GLY 1 -13.131 10.305 -5.579
2 2H GLY 1 2H GLY 1 -13.693 8.738 -5.918
3 3H GLY 1 1H GLY 1 -12.995 9.085 -4.409
4 1HA GLY 1 2HA GLY 1 -11.362 7.927 -5.640
5 2HA GLY 1 1HA GLY 1 -11.642 8.959 -7.043
6 H GLU 2 H GLU 2 -9.450 8.457 -4.706
7 HA GLU 2 HA GLU 2 -8.395 11.217 -4.930
8 1HB GLU 2 2HB GLU 2 -10.010 11.000 -2.950
9 2HB GLU 2 1HB GLU 2 -8.812 9.928 -2.225
10 1HG GLU 2 2HG GLU 2 -8.357 12.126 -1.377
11 2HG GLU 2 1HG GLU 2 -7.110 11.784 -2.577
12 H TRP 3 H TRP 3 -6.127 11.322 -4.136
13 HA TRP 3 HA TRP 3 -4.849 8.632 -3.875
14 1HB TRP 3 2HB TRP 3 -3.019 9.661 -5.344
15 2HB TRP 3 1HB TRP 3 -4.544 9.287 -6.146
16 HD1 TRP 3 HD1 TRP 3 -3.543 12.350 -3.998
17 HE1 TRP 3 HE1 TRP 3 -4.045 14.480 -5.361
18 HE3 TRP 3 HE3 TRP 3 -5.161 10.246 -8.361
19 HZ2 TRP 3 HZ2 TRP 3 -5.006 15.197 -7.957
20 HZ3 TRP 3 HZ3 TRP 3 -5.861 11.674 -10.261
21 HH2 TRP 3 HH2 TRP 3 -5.786 14.145 -10.066
22 H GLU 4 H GLU 4 -2.395 9.039 -3.262
23 HA GLU 4 HA GLU 4 -1.602 11.368 -1.815
24 1HB GLU 4 2HB GLU 4 -3.363 11.003 -0.291
25 2HB GLU 4 1HB GLU 4 -3.192 9.250 -0.374
26 1HG GLU 4 2HG GLU 4 -1.743 9.248 1.346
27 2HG GLU 4 1HG GLU 4 -0.734 10.463 0.562
28 H ILE 5 H ILE 5 0.596 11.077 -1.966
29 HA ILE 5 HA ILE 5 1.810 8.470 -2.277
30 HB ILE 5 HB ILE 5 3.777 9.787 -2.586
31 1HG1 ILE 5 2HG1 ILE 5 2.317 12.074 -1.242
32 2HG1 ILE 5 1HG1 ILE 5 3.531 11.070 -0.450
33 1HG2 ILE 5 3HG2 ILE 5 1.372 10.384 -3.884
34 2HG2 ILE 5 2HG2 ILE 5 2.090 11.952 -3.520
35 3HG2 ILE 5 1HG2 ILE 5 2.996 10.765 -4.457
36 1HD1 ILE 5 2HD1 ILE 5 4.816 11.799 -2.774
37 2HD1 ILE 5 1HD1 ILE 5 3.882 13.247 -2.398
38 3HD1 ILE 5 3HD1 ILE 5 5.021 12.601 -1.216
39 H ILE 6 H ILE 6 3.913 8.123 -0.838
40 HA ILE 6 HA ILE 6 2.972 7.987 1.971
41 HB ILE 6 HB ILE 6 4.473 6.215 2.162
42 1HG1 ILE 6 2HG1 ILE 6 6.532 7.379 1.674
43 2HG1 ILE 6 1HG1 ILE 6 6.470 5.943 0.659
44 1HG2 ILE 6 2HG2 ILE 6 2.792 5.914 0.257
45 2HG2 ILE 6 1HG2 ILE 6 4.144 6.206 -0.837
46 3HG2 ILE 6 3HG2 ILE 6 4.181 4.826 0.258
47 1HD1 ILE 6 1HD1 ILE 6 5.582 8.685 -0.272
48 2HD1 ILE 6 3HD1 ILE 6 7.200 8.040 -0.541
49 3HD1 ILE 6 2HD1 ILE 6 5.804 7.241 -1.257
50 H ASP 7 H ASP 7 5.414 7.972 3.331
51 HA ASP 7 HA ASP 7 6.879 10.447 2.693
52 1HB ASP 7 2HB ASP 7 4.688 11.030 3.866
53 2HB ASP 7 1HB ASP 7 5.337 10.210 5.287
54 H ILE 8 H ILE 8 7.838 7.836 2.867
55 HA ILE 8 HA ILE 8 9.348 6.421 4.017
56 HB ILE 8 HB ILE 8 10.575 8.482 3.194
57 1HG1 ILE 8 2HG1 ILE 8 11.762 7.437 5.769
58 2HG1 ILE 8 1HG1 ILE 8 11.608 6.412 4.340
59 1HG2 ILE 8 2HG2 ILE 8 10.040 9.304 6.052
60 2HG2 ILE 8 1HG2 ILE 8 11.377 9.978 5.121
61 3HG2 ILE 8 3HG2 ILE 8 9.716 10.215 4.578
62 1HD1 ILE 8 1HD1 ILE 8 13.020 9.095 4.381
63 2HD1 ILE 8 3HD1 ILE 8 13.835 7.534 4.483
64 3HD1 ILE 8 2HD1 ILE 8 12.945 7.970 3.025
65 H GLY 9 H GLY 9 6.967 6.994 5.512
66 1HA GLY 9 2HA GLY 9 8.079 6.650 8.251
67 2HA GLY 9 1HA GLY 9 6.863 7.899 8.012
68 HA PRO 10 HA PRO 10 3.709 4.930 8.423
69 1HB PRO 10 2HB PRO 10 1.878 5.586 6.502
70 2HB PRO 10 1HB PRO 10 2.182 6.581 7.938
71 1HG PRO 10 2HG PRO 10 3.023 7.000 5.141
72 2HG PRO 10 1HG PRO 10 2.682 8.182 6.411
73 1HD PRO 10 2HD PRO 10 5.211 7.360 5.550
74 2HD PRO 10 1HD PRO 10 4.857 8.266 7.035
75 H PHE 11 H PHE 11 3.293 5.164 4.903
76 HA PHE 11 HA PHE 11 2.798 2.536 4.287
77 1HB PHE 11 2HB PHE 11 4.555 4.533 2.837
78 2HB PHE 11 1HB PHE 11 3.911 3.071 2.092
79 HD1 PHE 11 HD1 PHE 11 1.492 2.787 1.736
80 HD2 PHE 11 HD2 PHE 11 3.100 6.417 3.376
81 HE1 PHE 11 HE1 PHE 11 -0.661 3.935 1.309
82 HE2 PHE 11 HE2 PHE 11 0.947 7.566 2.943
83 HZ PHE 11 HZ PHE 11 -0.935 6.325 1.911
84 H THR 12 H THR 12 5.917 3.888 5.201
85 HA THR 12 HA THR 12 7.624 1.747 4.421
86 HB THR 12 HB THR 12 9.136 2.828 5.929
87 HG1 THR 12 HG1 THR 12 7.890 4.460 7.392
88 1HG2 THR 12 1HG2 THR 12 8.030 4.239 4.028
89 2HG2 THR 12 3HG2 THR 12 7.284 5.111 5.363
90 3HG2 THR 12 2HG2 THR 12 9.039 5.048 5.225
91 H GLN 13 H GLN 13 6.247 2.503 7.609
92 HA GLN 13 HA GLN 13 6.834 -0.069 8.775
93 1HB GLN 13 2HB GLN 13 5.913 2.453 9.559
94 2HB GLN 13 1HB GLN 13 4.565 1.372 9.915
95 1HG GLN 13 2HG GLN 13 5.975 -0.056 11.262
96 2HG GLN 13 1HG GLN 13 7.420 0.828 10.770
97 1HE2 GLN 13 2HE2 GLN 13 6.196 3.808 12.669
98 2HE2 GLN 13 1HE2 GLN 13 6.575 3.495 11.044
99 H ASN 14 H ASN 14 4.476 0.951 6.556
100 HA ASN 14 HA ASN 14 2.414 -1.003 7.302
101 1HB ASN 14 2HB ASN 14 2.788 0.769 4.874
102 2HB ASN 14 1HB ASN 14 1.300 -0.072 5.308
103 1HD2 ASN 14 2HD2 ASN 14 1.221 2.070 8.436
104 2HD2 ASN 14 1HD2 ASN 14 1.498 0.415 8.192
105 H LEU 15 H LEU 15 4.057 -0.468 4.226
106 HA LEU 15 HA LEU 15 3.670 -2.898 2.979
107 1HB LEU 15 2HB LEU 15 5.713 -2.393 1.767
108 2HB LEU 15 1HB LEU 15 4.928 -0.863 2.160
109 HG LEU 15 HG LEU 15 6.413 -1.017 4.341
110 1HD1 LEU 15 3HD1 LEU 15 7.230 -3.329 3.013
111 2HD1 LEU 15 2HD1 LEU 15 8.522 -2.174 2.686
112 3HD1 LEU 15 1HD1 LEU 15 8.074 -2.548 4.350
113 1HD2 LEU 15 2HD2 LEU 15 7.407 -0.271 1.575
114 2HD2 LEU 15 1HD2 LEU 15 6.634 0.791 2.752
115 3HD2 LEU 15 3HD2 LEU 15 8.252 0.161 3.061
116 H GLY 16 H GLY 16 5.771 -2.232 5.721
117 1HA GLY 16 2HA GLY 16 7.195 -4.765 5.584
118 2HA GLY 16 1HA GLY 16 7.187 -3.657 6.958
119 H LYS 17 H LYS 17 4.479 -3.511 7.542
120 HA LYS 17 HA LYS 17 4.034 -6.088 8.833
121 1HB LYS 17 2HB LYS 17 3.554 -4.114 10.074
122 2HB LYS 17 1HB LYS 17 2.649 -3.411 8.733
123 1HG LYS 17 2HG LYS 17 1.489 -5.948 9.396
124 2HG LYS 17 1HG LYS 17 1.646 -4.992 10.870
125 1HD LYS 17 2HD LYS 17 0.568 -3.071 9.666
126 2HD LYS 17 1HD LYS 17 0.285 -4.147 8.298
127 1HE LYS 17 2HE LYS 17 -1.653 -4.756 9.313
128 2HE LYS 17 1HE LYS 17 -0.664 -5.555 10.552
129 1HZ LYS 17 2HZ LYS 17 -0.380 -3.155 11.436
130 2HZ LYS 17 1HZ LYS 17 -1.798 -2.835 10.558
131 3HZ LYS 17 3HZ LYS 17 -1.810 -4.001 11.791
132 H PHE 18 H PHE 18 2.461 -4.181 6.324
133 HA PHE 18 HA PHE 18 0.251 -5.951 5.859
134 1HB PHE 18 2HB PHE 18 1.394 -3.529 4.818
135 2HB PHE 18 1HB PHE 18 0.986 -4.593 3.471
136 HD1 PHE 18 HD1 PHE 18 -0.715 -4.545 6.769
137 HD2 PHE 18 HD2 PHE 18 -0.938 -3.437 2.625
138 HE1 PHE 18 HE1 PHE 18 -3.114 -3.983 7.049
139 HE2 PHE 18 HE2 PHE 18 -3.337 -2.876 2.905
140 HZ PHE 18 HZ PHE 18 -4.426 -3.149 5.117
141 H ALA 19 H ALA 19 3.503 -5.798 4.564
142 HA ALA 19 HA ALA 19 3.170 -7.765 2.489
143 1HB ALA 19 2HB ALA 19 5.542 -6.812 4.125
144 2HB ALA 19 1HB ALA 19 5.692 -7.882 2.730
145 3HB ALA 19 3HB ALA 19 5.059 -6.249 2.525
146 H VAL 20 H VAL 20 5.087 -8.207 5.472
147 HA VAL 20 HA VAL 20 5.350 -10.902 5.653
148 HB VAL 20 HB VAL 20 6.052 -9.280 7.360
149 1HG1 VAL 20 2HG1 VAL 20 3.080 -9.155 7.938
150 2HG1 VAL 20 1HG1 VAL 20 4.311 -8.536 9.040
151 3HG1 VAL 20 3HG1 VAL 20 4.127 -7.829 7.434
152 1HG2 VAL 20 2HG2 VAL 20 5.501 -11.820 7.837
153 2HG2 VAL 20 1HG2 VAL 20 5.897 -10.738 9.172
154 3HG2 VAL 20 3HG2 VAL 20 4.213 -11.141 8.834
155 H ASP 21 H ASP 21 2.283 -9.178 6.124
156 HA ASP 21 HA ASP 21 0.892 -11.710 6.807
157 1HB ASP 21 2HB ASP 21 0.173 -8.776 6.683
158 2HB ASP 21 1HB ASP 21 -1.053 -10.015 6.947
159 H GLU 22 H GLU 22 -0.130 -9.062 4.614
160 HA GLU 22 HA GLU 22 -1.658 -10.762 2.939
161 1HB GLU 22 2HB GLU 22 -0.243 -8.184 2.211
162 2HB GLU 22 1HB GLU 22 -1.690 -8.831 1.440
163 1HG GLU 22 2HG GLU 22 -1.910 -8.557 4.362
164 2HG GLU 22 1HG GLU 22 -1.700 -7.027 3.511
165 H GLU 23 H GLU 23 1.764 -10.238 3.029
166 HA GLU 23 HA GLU 23 2.257 -11.373 0.360
167 1HB GLU 23 2HB GLU 23 3.697 -9.667 1.636
168 2HB GLU 23 1HB GLU 23 4.202 -11.015 2.657
169 1HG GLU 23 2HG GLU 23 4.435 -11.909 -0.021
170 2HG GLU 23 1HG GLU 23 5.155 -10.299 0.037
171 H ASN 24 H ASN 24 3.210 -12.451 3.675
172 HA ASN 24 HA ASN 24 3.770 -15.135 2.979
173 1HB ASN 24 2HB ASN 24 2.513 -13.960 5.489
174 2HB ASN 24 1HB ASN 24 3.255 -15.557 5.393
175 1HD2 ASN 24 2HD2 ASN 24 5.943 -13.366 6.642
176 2HD2 ASN 24 1HD2 ASN 24 4.493 -14.028 7.223
177 H LYS 25 H LYS 25 0.700 -13.610 4.000
178 HA LYS 25 HA LYS 25 -0.984 -15.882 3.780
179 1HB LYS 25 2HB LYS 25 -1.715 -13.761 4.730
180 2HB LYS 25 1HB LYS 25 -1.425 -12.940 3.195
181 1HG LYS 25 2HG LYS 25 -3.362 -13.709 2.265
182 2HG LYS 25 1HG LYS 25 -3.237 -15.279 3.060
183 1HD LYS 25 2HD LYS 25 -5.141 -14.109 3.998
184 2HD LYS 25 1HD LYS 25 -3.870 -14.162 5.220
185 1HE LYS 25 2HE LYS 25 -3.162 -11.841 4.175
186 2HE LYS 25 1HE LYS 25 -4.846 -11.818 3.613
187 1HZ LYS 25 1HZ LYS 25 -4.282 -12.645 6.372
188 2HZ LYS 25 3HZ LYS 25 -4.249 -10.989 6.006
189 3HZ LYS 25 2HZ LYS 25 -5.664 -11.890 5.734
190 H ILE 26 H ILE 26 -0.150 -13.423 1.384
191 HA ILE 26 HA ILE 26 -1.467 -14.429 -0.878
192 HB ILE 26 HB ILE 26 0.875 -12.748 -0.261
193 1HG1 ILE 26 2HG1 ILE 26 -1.246 -11.720 -0.762
194 2HG1 ILE 26 1HG1 ILE 26 -0.174 -11.388 -2.122
195 1HG2 ILE 26 3HG2 ILE 26 0.788 -14.362 -2.792
196 2HG2 ILE 26 2HG2 ILE 26 1.434 -12.721 -2.821
197 3HG2 ILE 26 1HG2 ILE 26 2.175 -13.942 -1.786
198 1HD1 ILE 26 2HD1 ILE 26 -1.217 -13.697 -2.996
199 2HD1 ILE 26 1HD1 ILE 26 -2.561 -13.163 -1.987
200 3HD1 ILE 26 3HD1 ILE 26 -1.990 -12.144 -3.308
201 H GLY 27 H GLY 27 1.285 -15.664 0.807
202 1HA GLY 27 2HA GLY 27 1.722 -18.122 0.510
203 2HA GLY 27 1HA GLY 27 1.553 -17.845 -1.226
204 H GLN 28 H GLN 28 3.217 -15.706 1.033
205 HA GLN 28 HA GLN 28 5.848 -16.515 -0.134
206 1HB GLN 28 2HB GLN 28 4.472 -14.434 -1.118
207 2HB GLN 28 1HB GLN 28 5.213 -13.620 0.261
208 1HG GLN 28 2HG GLN 28 7.055 -13.377 -1.021
209 2HG GLN 28 1HG GLN 28 7.295 -15.117 -0.843
210 1HE2 GLN 28 2HE2 GLN 28 6.058 -15.885 -4.116
211 2HE2 GLN 28 1HE2 GLN 28 6.302 -16.525 -2.563
212 H TYR 29 H TYR 29 5.792 -17.491 2.156
213 HA TYR 29 HA TYR 29 6.157 -15.536 4.353
214 1HB TYR 29 2HB TYR 29 4.770 -17.467 4.773
215 2HB TYR 29 1HB TYR 29 6.003 -18.557 4.140
216 HD1 TYR 29 HD1 TYR 29 5.678 -15.851 6.725
217 HD2 TYR 29 HD2 TYR 29 7.337 -19.672 5.685
218 HE1 TYR 29 HE1 TYR 29 6.678 -16.031 8.987
219 HE2 TYR 29 HE2 TYR 29 8.338 -19.853 7.947
220 HH TYR 29 HH TYR 29 8.747 -18.788 9.867
221 H GLY 30 H GLY 30 8.106 -15.959 2.060
222 1HA GLY 30 2HA GLY 30 10.406 -17.352 2.562
223 2HA GLY 30 1HA GLY 30 10.461 -15.694 1.963
224 H ARG 31 H ARG 31 10.094 -14.000 3.829
225 HA ARG 31 HA ARG 31 11.048 -14.854 6.476
226 1HB ARG 31 2HB ARG 31 12.776 -13.514 4.406
227 2HB ARG 31 1HB ARG 31 13.078 -13.230 6.120
228 1HG ARG 31 2HG ARG 31 12.953 -15.844 6.300
229 2HG ARG 31 1HG ARG 31 13.279 -15.794 4.566
230 1HD ARG 31 2HD ARG 31 15.396 -15.962 5.839
231 2HD ARG 31 1HD ARG 31 15.300 -14.390 5.019
232 HE ARG 31 HE ARG 31 14.064 -14.107 7.559
233 1HH1 ARG 31 2HH1 ARG 31 17.097 -14.309 5.961
234 2HH1 ARG 31 1HH1 ARG 31 18.013 -13.783 7.333
235 1HH2 ARG 31 1HH2 ARG 31 15.261 -13.607 9.436
236 2HH2 ARG 31 2HH2 ARG 31 16.974 -13.385 9.301
237 H LEU 32 H LEU 32 11.905 -11.731 5.161
238 HA LEU 32 HA LEU 32 9.495 -10.487 6.425
239 1HB LEU 32 2HB LEU 32 11.265 -8.770 7.296
240 2HB LEU 32 1HB LEU 32 11.112 -10.313 8.136
241 HG LEU 32 HG LEU 32 12.989 -11.217 6.796
242 1HD1 LEU 32 3HD1 LEU 32 12.659 -8.585 5.453
243 2HD1 LEU 32 2HD1 LEU 32 14.314 -9.148 5.683
244 3HD1 LEU 32 1HD1 LEU 32 13.163 -10.135 4.782
245 1HD2 LEU 32 3HD2 LEU 32 13.158 -8.985 8.686
246 2HD2 LEU 32 2HD2 LEU 32 14.077 -10.490 8.645
247 3HD2 LEU 32 1HD2 LEU 32 14.588 -9.118 7.662
248 H THR 33 H THR 33 9.129 -8.261 5.635
249 HA THR 33 HA THR 33 10.371 -7.804 2.946
250 HB THR 33 HB THR 33 7.969 -6.418 3.074
251 HG1 THR 33 HG1 THR 33 7.516 -8.963 4.195
252 1HG2 THR 33 2HG2 THR 33 9.015 -8.885 1.859
253 2HG2 THR 33 1HG2 THR 33 7.257 -8.843 1.999
254 3HG2 THR 33 3HG2 THR 33 8.102 -7.568 1.122
255 H PHE 34 H PHE 34 11.901 -6.734 4.872
256 HA PHE 34 HA PHE 34 11.493 -3.832 4.551
257 1HB PHE 34 2HB PHE 34 10.192 -4.858 6.603
258 2HB PHE 34 1HB PHE 34 11.789 -4.882 7.354
259 HD1 PHE 34 HD2 PHE 34 10.292 -2.443 4.943
260 HD2 PHE 34 HD1 PHE 34 11.808 -3.115 8.906
261 HE1 PHE 34 HE2 PHE 34 10.107 -0.017 5.425
262 HE2 PHE 34 HE1 PHE 34 11.622 -0.689 9.387
263 HZ PHE 34 HZ PHE 34 10.772 0.859 7.647
264 H ASN 35 H ASN 35 13.551 -3.404 3.780
265 HA ASN 35 HA ASN 35 15.845 -4.022 5.554
266 1HB ASN 35 2HB ASN 35 15.180 -5.804 3.643
267 2HB ASN 35 1HB ASN 35 16.193 -4.725 2.685
268 1HD2 ASN 35 2HD2 ASN 35 19.084 -5.342 4.890
269 2HD2 ASN 35 1HD2 ASN 35 18.263 -4.002 4.248
270 H LYS 36 H LYS 36 15.594 -3.053 2.099
271 HA LYS 36 HA LYS 36 17.575 -0.986 2.426
272 1HB LYS 36 2HB LYS 36 15.744 -2.007 0.312
273 2HB LYS 36 1HB LYS 36 16.426 -0.399 0.069
274 1HG LYS 36 2HG LYS 36 18.085 -1.729 -0.876
275 2HG LYS 36 1HG LYS 36 18.677 -1.570 0.778
276 1HD LYS 36 2HD LYS 36 17.367 -3.716 1.289
277 2HD LYS 36 1HD LYS 36 17.220 -3.911 -0.458
278 1HE LYS 36 2HE LYS 36 19.187 -5.125 0.045
279 2HE LYS 36 1HE LYS 36 19.826 -3.546 -0.451
280 1HZ LYS 36 1HZ LYS 36 19.504 -2.922 1.992
281 2HZ LYS 36 3HZ LYS 36 19.419 -4.591 2.285
282 3HZ LYS 36 2HZ LYS 36 20.824 -3.919 1.606
283 H VAL 37 H VAL 37 14.898 0.332 0.684
284 HA VAL 37 HA VAL 37 13.813 1.804 3.001
285 HB VAL 37 HB VAL 37 15.823 2.867 1.042
286 1HG1 VAL 37 3HG1 VAL 37 13.795 4.537 2.563
287 2HG1 VAL 37 2HG1 VAL 37 15.174 5.172 1.663
288 3HG1 VAL 37 1HG1 VAL 37 13.867 4.350 0.811
289 1HG2 VAL 37 1HG2 VAL 37 15.391 2.829 4.015
290 2HG2 VAL 37 3HG2 VAL 37 16.815 2.350 3.093
291 3HG2 VAL 37 2HG2 VAL 37 16.431 4.060 3.298
292 H ILE 38 H ILE 38 12.047 3.190 2.442
293 HA ILE 38 HA ILE 38 10.769 2.616 -0.214
294 HB ILE 38 HB ILE 38 9.214 1.899 1.323
295 1HG1 ILE 38 2HG1 ILE 38 8.415 4.088 0.150
296 2HG1 ILE 38 1HG1 ILE 38 7.454 3.435 1.471
297 1HG2 ILE 38 2HG2 ILE 38 10.661 2.297 3.283
298 2HG2 ILE 38 1HG2 ILE 38 10.162 3.989 3.301
299 3HG2 ILE 38 3HG2 ILE 38 8.984 2.715 3.615
300 1HD1 ILE 38 3HD1 ILE 38 9.464 5.180 2.564
301 2HD1 ILE 38 2HD1 ILE 38 8.622 6.020 1.265
302 3HD1 ILE 38 1HD1 ILE 38 7.710 5.354 2.616
303 H ARG 39 H ARG 39 10.177 4.293 -1.516
304 HA ARG 39 HA ARG 39 10.316 7.079 -0.550
305 1HB ARG 39 2HB ARG 39 12.431 5.685 -1.991
306 2HB ARG 39 1HB ARG 39 11.879 7.110 -2.871
307 1HG ARG 39 2HG ARG 39 12.100 7.707 -0.051
308 2HG ARG 39 1HG ARG 39 13.623 7.055 -0.656
309 1HD ARG 39 2HD ARG 39 12.799 8.810 -2.673
310 2HD ARG 39 1HD ARG 39 12.426 9.664 -1.163
311 HE ARG 39 HE ARG 39 15.045 8.343 -1.179
312 1HH1 ARG 39 1HH2 ARG 39 14.615 10.686 0.517
313 2HH1 ARG 39 2HH2 ARG 39 15.341 11.976 -0.384
314 1HH2 ARG 39 2HH1 ARG 39 15.383 10.219 -3.374
315 2HH2 ARG 39 1HH1 ARG 39 15.776 11.712 -2.587
316 HA PRO 40 HA PRO 40 8.454 7.095 -4.883
317 1HB PRO 40 2HB PRO 40 8.735 4.948 -6.546
318 2HB PRO 40 1HB PRO 40 9.938 6.248 -6.437
319 1HG PRO 40 2HG PRO 40 9.991 3.521 -5.286
320 2HG PRO 40 1HG PRO 40 11.320 4.521 -5.886
321 1HD PRO 40 2HD PRO 40 10.691 4.131 -3.221
322 2HD PRO 40 1HD PRO 40 11.668 5.466 -3.861
323 H CYS 41 H CYS 41 7.365 5.811 -2.537
324 HA CYS 41 HA CYS 41 5.511 3.746 -3.585
325 1HB CYS 41 2HB CYS 41 6.107 4.946 -0.871
326 2HB CYS 41 1HB CYS 41 4.835 3.750 -1.128
327 HG CYS 41 HG CYS 41 7.303 2.708 -0.521
328 H MET 42 H MET 42 3.235 4.088 -3.646
329 HA MET 42 HA MET 42 2.277 6.867 -3.100
330 1HB MET 42 2HB MET 42 2.596 5.444 -5.641
331 2HB MET 42 1HB MET 42 0.955 6.046 -5.407
332 1HG MET 42 2HG MET 42 2.018 8.279 -4.756
333 2HG MET 42 1HG MET 42 3.533 7.627 -5.382
334 1HE MET 42 3HE MET 42 3.928 6.793 -7.723
335 2HE MET 42 2HE MET 42 2.518 5.736 -7.687
336 3HE MET 42 1HE MET 42 2.763 6.820 -9.055
337 H LYS 43 H LYS 43 -0.134 6.931 -2.923
338 HA LYS 43 HA LYS 43 -1.481 4.308 -2.609
339 1HB LYS 43 2HB LYS 43 -0.510 4.525 -0.464
340 2HB LYS 43 1HB LYS 43 -0.804 6.262 -0.412
341 1HG LYS 43 2HG LYS 43 -3.184 4.489 -0.690
342 2HG LYS 43 1HG LYS 43 -2.384 4.523 0.882
343 1HD LYS 43 2HD LYS 43 -2.451 7.172 0.364
344 2HD LYS 43 1HD LYS 43 -3.889 6.666 -0.524
345 1HE LYS 43 2HE LYS 43 -4.537 5.370 1.622
346 2HE LYS 43 1HE LYS 43 -3.314 6.372 2.429
347 1HZ LYS 43 2HZ LYS 43 -5.247 7.633 0.606
348 2HZ LYS 43 1HZ LYS 43 -5.733 7.256 2.190
349 3HZ LYS 43 3HZ LYS 43 -4.425 8.306 1.933
350 H LYS 44 H LYS 44 -3.594 4.508 -3.259
351 HA LYS 44 HA LYS 44 -4.979 7.107 -2.908
352 1HB LYS 44 2HB LYS 44 -5.648 6.873 -5.407
353 2HB LYS 44 1HB LYS 44 -4.019 7.444 -5.051
354 1HG LYS 44 2HG LYS 44 -3.142 5.701 -6.159
355 2HG LYS 44 1HG LYS 44 -3.993 4.577 -5.098
356 1HD LYS 44 2HD LYS 44 -4.916 4.004 -7.152
357 2HD LYS 44 1HD LYS 44 -6.069 5.221 -6.605
358 1HE LYS 44 2HE LYS 44 -4.196 6.802 -7.832
359 2HE LYS 44 1HE LYS 44 -4.146 5.344 -8.845
360 1HZ LYS 44 3HZ LYS 44 -6.658 5.413 -8.723
361 2HZ LYS 44 2HZ LYS 44 -6.498 6.999 -8.136
362 3HZ LYS 44 1HZ LYS 44 -5.924 6.602 -9.685
363 H THR 45 H THR 45 -7.068 6.728 -2.318
364 HA THR 45 HA THR 45 -8.144 3.963 -2.712
365 HB THR 45 HB THR 45 -8.446 6.144 -0.658
366 HG1 THR 45 HG1 THR 45 -8.344 3.389 -0.196
367 1HG2 THR 45 1HG2 THR 45 -10.560 4.328 -1.582
368 2HG2 THR 45 3HG2 THR 45 -10.242 4.207 0.146
369 3HG2 THR 45 2HG2 THR 45 -10.680 5.760 -0.566
370 H ILE 46 H ILE 46 -10.372 3.760 -3.388
371 HA ILE 46 HA ILE 46 -11.475 6.205 -4.737
372 HB ILE 46 HB ILE 46 -12.260 4.658 -6.461
373 1HG1 ILE 46 2HG1 ILE 46 -10.863 2.384 -5.068
374 2HG1 ILE 46 1HG1 ILE 46 -12.518 2.790 -4.619
375 1HG2 ILE 46 1HG2 ILE 46 -9.578 5.220 -5.893
376 2HG2 ILE 46 3HG2 ILE 46 -9.598 3.502 -6.286
377 3HG2 ILE 46 2HG2 ILE 46 -10.229 4.677 -7.440
378 1HD1 ILE 46 1HD1 ILE 46 -13.007 2.735 -7.159
379 2HD1 ILE 46 3HD1 ILE 46 -11.474 1.873 -7.291
380 3HD1 ILE 46 2HD1 ILE 46 -12.788 1.194 -6.330
381 H TYR 47 H TYR 47 -11.924 5.511 -2.069
382 HA TYR 47 HA TYR 47 -14.236 3.872 -1.663
383 1HB TYR 47 2HB TYR 47 -14.005 4.569 0.575
384 2HB TYR 47 1HB TYR 47 -12.370 4.692 -0.064
385 HD1 TYR 47 HD2 TYR 47 -12.914 7.219 -1.782
386 HD2 TYR 47 HD1 TYR 47 -13.770 6.229 2.312
387 HE1 TYR 47 HE2 TYR 47 -12.875 9.624 -1.192
388 HE2 TYR 47 HE1 TYR 47 -13.730 8.638 2.899
389 HH TYR 47 HH TYR 47 -13.070 11.123 0.425
390 H GLU 48 H GLU 48 -15.590 5.770 0.068
391 HA GLU 48 HA GLU 48 -17.665 6.657 -1.688
392 1HB GLU 48 2HB GLU 48 -18.713 7.062 0.329
393 2HB GLU 48 1HB GLU 48 -17.425 5.983 0.854
394 1HG GLU 48 2HG GLU 48 -16.134 8.357 1.034
395 2HG GLU 48 1HG GLU 48 -17.782 8.877 1.382
396 H ASN 49 H ASN 49 -18.281 9.137 -0.404
397 HA ASN 49 HA ASN 49 -16.125 11.045 -1.070
398 1HB ASN 49 2HB ASN 49 -17.303 10.335 -3.211
399 2HB ASN 49 1HB ASN 49 -18.768 11.067 -2.557
400 1HD2 ASN 49 2HD2 ASN 49 -17.615 14.417 -3.008
401 2HD2 ASN 49 1HD2 ASN 49 -18.726 13.442 -2.174
402 H GLU 50 H GLU 50 -19.497 10.446 -0.121
403 HA GLU 50 HA GLU 50 -19.318 12.824 1.685
404 1HB GLU 50 2HB GLU 50 -20.621 13.544 -0.167
405 2HB GLU 50 1HB GLU 50 -21.457 11.995 -0.281
406 1HG GLU 50 2HG GLU 50 -23.020 12.634 1.215
407 2HG GLU 50 1HG GLU 50 -21.792 13.195 2.350
408 H ARG 51 H ARG 51 -20.659 9.589 1.063
409 HA ARG 51 HA ARG 51 -20.874 9.076 3.929
410 1HB ARG 51 2HB ARG 51 -23.256 9.140 4.128
411 2HB ARG 51 1HB ARG 51 -22.783 10.645 3.337
412 1HG ARG 51 2HG ARG 51 -24.215 10.119 1.678
413 2HG ARG 51 1HG ARG 51 -23.113 8.812 1.244
414 1HD ARG 51 2HD ARG 51 -24.322 7.216 2.549
415 2HD ARG 51 1HD ARG 51 -25.237 8.488 3.383
416 HE ARG 51 HE ARG 51 -26.054 9.052 0.950
417 1HH1 ARG 51 1HH1 ARG 51 -25.917 5.198 0.371
418 2HH1 ARG 51 2HH1 ARG 51 -24.534 6.132 0.833
419 1HH2 ARG 51 1HH2 ARG 51 -28.175 7.766 0.937
420 2HH2 ARG 51 2HH2 ARG 51 -27.978 6.122 0.429
421 H GLU 52 H GLU 52 -20.140 7.842 1.145
422 HA GLU 52 HA GLU 52 -21.596 5.235 1.504
423 1HB GLU 52 2HB GLU 52 -20.120 6.219 -0.938
424 2HB GLU 52 1HB GLU 52 -21.351 4.959 -0.849
425 1HG GLU 52 2HG GLU 52 -22.806 6.979 0.125
426 2HG GLU 52 1HG GLU 52 -21.670 7.927 -0.837
427 H ILE 53 H ILE 53 -19.673 4.017 -0.324
428 HA ILE 53 HA ILE 53 -16.989 4.167 0.772
429 HB ILE 53 HB ILE 53 -18.466 3.080 2.589
430 1HG1 ILE 53 2HG1 ILE 53 -16.532 0.989 2.117
431 2HG1 ILE 53 1HG1 ILE 53 -15.830 2.552 1.695
432 1HG2 ILE 53 3HG2 ILE 53 -19.694 1.681 0.839
433 2HG2 ILE 53 2HG2 ILE 53 -18.244 0.680 0.763
434 3HG2 ILE 53 1HG2 ILE 53 -19.147 0.813 2.273
435 1HD1 ILE 53 3HD1 ILE 53 -17.350 2.797 4.135
436 2HD1 ILE 53 2HD1 ILE 53 -16.187 1.480 4.289
437 3HD1 ILE 53 1HD1 ILE 53 -15.634 3.102 3.869
438 H LYS 54 H LYS 54 -15.582 3.119 -0.673
439 HA LYS 54 HA LYS 54 -16.888 1.309 -2.674
440 1HB LYS 54 2HB LYS 54 -15.618 3.897 -2.986
441 2HB LYS 54 1HB LYS 54 -14.863 2.667 -4.002
442 1HG LYS 54 2HG LYS 54 -16.733 2.364 -5.276
443 2HG LYS 54 1HG LYS 54 -17.824 2.628 -3.914
444 1HD LYS 54 2HD LYS 54 -16.865 5.108 -4.085
445 2HD LYS 54 1HD LYS 54 -16.575 4.626 -5.757
446 1HE LYS 54 2HE LYS 54 -18.936 4.031 -6.038
447 2HE LYS 54 1HE LYS 54 -19.254 4.414 -4.334
448 1HZ LYS 54 2HZ LYS 54 -18.156 6.643 -4.894
449 2HZ LYS 54 1HZ LYS 54 -18.459 6.239 -6.516
450 3HZ LYS 54 3HZ LYS 54 -19.750 6.391 -5.427
451 H GLY 55 H GLY 55 -13.442 2.421 -2.444
452 1HA GLY 55 2HA GLY 55 -12.665 -0.207 -1.391
453 2HA GLY 55 1HA GLY 55 -12.332 -0.033 -3.110
454 H TYR 56 H TYR 56 -10.076 -0.345 -2.378
455 HA TYR 56 HA TYR 56 -8.735 2.249 -2.021
456 1HB TYR 56 2HB TYR 56 -9.220 1.774 0.268
457 2HB TYR 56 1HB TYR 56 -8.836 0.064 0.072
458 HD1 TYR 56 HD1 TYR 56 -6.755 2.631 -1.523
459 HD2 TYR 56 HD2 TYR 56 -7.214 0.114 1.928
460 HE1 TYR 56 HE1 TYR 56 -4.402 3.079 -0.883
461 HE2 TYR 56 HE2 TYR 56 -4.860 0.563 2.568
462 HH TYR 56 HH TYR 56 -3.040 1.785 2.136
463 H GLU 57 H GLU 57 -7.345 1.941 -3.767
464 HA GLU 57 HA GLU 57 -5.780 -0.626 -3.846
465 1HB GLU 57 2HB GLU 57 -5.587 0.017 -6.319
466 2HB GLU 57 1HB GLU 57 -7.206 -0.426 -5.773
467 1HG GLU 57 2HG GLU 57 -7.920 1.833 -5.694
468 2HG GLU 57 1HG GLU 57 -6.266 2.443 -5.761
469 H TYR 58 H TYR 58 -3.482 -0.389 -3.981
470 HA TYR 58 HA TYR 58 -2.480 2.417 -4.260
471 1HB TYR 58 2HB TYR 58 -1.969 2.600 -2.084
472 2HB TYR 58 1HB TYR 58 -2.940 1.160 -1.831
473 HD1 TYR 58 HD2 TYR 58 -1.339 -1.053 -2.822
474 HD2 TYR 58 HD1 TYR 58 -0.029 2.506 -0.811
475 HE1 TYR 58 HE2 TYR 58 0.621 -2.264 -1.940
476 HE2 TYR 58 HE1 TYR 58 1.928 1.290 0.068
477 HH TYR 58 HH TYR 58 2.865 -0.734 0.333
478 H GLN 59 H GLN 59 -0.085 2.521 -4.232
479 HA GLN 59 HA GLN 59 1.258 0.116 -5.390
480 1HB GLN 59 2HB GLN 59 2.216 1.644 -7.098
481 2HB GLN 59 1HB GLN 59 0.456 1.660 -7.174
482 1HG GLN 59 2HG GLN 59 1.060 3.626 -5.294
483 2HG GLN 59 1HG GLN 59 2.294 3.832 -6.538
484 1HE2 GLN 59 2HE2 GLN 59 -1.640 4.520 -7.480
485 2HE2 GLN 59 1HE2 GLN 59 -1.253 3.666 -6.065
486 H LEU 60 H LEU 60 3.199 -0.193 -4.295
487 HA LEU 60 HA LEU 60 4.397 2.161 -2.881
488 1HB LEU 60 2HB LEU 60 3.390 0.900 -1.175
489 2HB LEU 60 1HB LEU 60 3.714 -0.631 -1.976
490 HG LEU 60 HG LEU 60 6.265 0.445 -1.487
491 1HD1 LEU 60 3HD1 LEU 60 4.908 2.058 0.027
492 2HD1 LEU 60 2HD1 LEU 60 4.664 0.649 1.060
493 3HD1 LEU 60 1HD1 LEU 60 6.297 1.233 0.736
494 1HD2 LEU 60 1HD2 LEU 60 4.552 -1.592 -0.044
495 2HD2 LEU 60 3HD2 LEU 60 5.786 -1.893 -1.268
496 3HD2 LEU 60 2HD2 LEU 60 6.254 -1.335 0.338
497 H TYR 61 H TYR 61 5.848 2.315 -4.739
498 HA TYR 61 HA TYR 61 7.503 0.031 -5.443
499 1HB TYR 61 2HB TYR 61 6.729 1.925 -6.901
500 2HB TYR 61 1HB TYR 61 7.821 2.980 -6.008
501 HD1 TYR 61 HD1 TYR 61 10.294 1.735 -5.681
502 HD2 TYR 61 HD2 TYR 61 7.555 1.213 -8.949
503 HE1 TYR 61 HE1 TYR 61 12.163 0.996 -7.129
504 HE2 TYR 61 HE2 TYR 61 9.426 0.472 -10.397
505 HH TYR 61 HH TYR 61 12.051 0.909 -10.375
506 H VAL 62 H VAL 62 8.916 -0.670 -3.845
507 HA VAL 62 HA VAL 62 10.813 1.303 -2.685
508 HB VAL 62 HB VAL 62 9.070 1.442 -1.077
509 1HG1 VAL 62 2HG1 VAL 62 7.760 -0.443 -2.108
510 2HG1 VAL 62 1HG1 VAL 62 8.767 -1.565 -1.207
511 3HG1 VAL 62 3HG1 VAL 62 7.728 -0.433 -0.348
512 1HG2 VAL 62 1HG2 VAL 62 11.221 0.828 -0.015
513 2HG2 VAL 62 3HG2 VAL 62 9.852 0.201 0.892
514 3HG2 VAL 62 2HG2 VAL 62 10.791 -0.873 -0.141
515 H TYR 63 H TYR 63 12.395 0.011 -1.219
516 HA TYR 63 HA TYR 63 12.715 -2.759 -2.309
517 1HB TYR 63 2HB TYR 63 14.241 -1.112 -3.383
518 2HB TYR 63 1HB TYR 63 14.884 -0.705 -1.791
519 HD1 TYR 63 HD1 TYR 63 13.874 -4.168 -2.229
520 HD2 TYR 63 HD2 TYR 63 17.127 -1.410 -2.732
521 HE1 TYR 63 HE1 TYR 63 15.460 -6.065 -2.382
522 HE2 TYR 63 HE2 TYR 63 18.711 -3.310 -2.890
523 HH TYR 63 HH TYR 63 17.781 -6.546 -2.120
524 H ALA 64 H ALA 64 12.854 -4.234 -0.699
525 HA ALA 64 HA ALA 64 13.770 -3.301 1.990
526 1HB ALA 64 1HB ALA 64 11.301 -3.615 1.686
527 2HB ALA 64 3HB ALA 64 11.611 -5.307 1.300
528 3HB ALA 64 2HB ALA 64 11.990 -4.686 2.905
529 H SER 65 H SER 65 12.991 -6.408 2.418
530 HA SER 65 HA SER 65 15.765 -7.350 1.900
531 1HB SER 65 2HB SER 65 13.847 -9.117 3.258
532 2HB SER 65 1HB SER 65 15.425 -8.556 3.801
533 HG SER 65 HG SER 65 14.463 -7.050 4.901
534 H ASP 66 H ASP 66 12.374 -8.200 1.206
535 HA ASP 66 HA ASP 66 13.355 -9.984 -1.000
536 1HB ASP 66 2HB ASP 66 12.072 -10.715 1.365
537 2HB ASP 66 1HB ASP 66 10.768 -10.682 0.178
538 H LYS 67 H LYS 67 12.467 -7.142 -1.024
539 HA LYS 67 HA LYS 67 10.267 -7.427 -3.023
540 1HB LYS 67 2HB LYS 67 8.955 -6.856 -1.218
541 2HB LYS 67 1HB LYS 67 10.280 -6.058 -0.378
542 1HG LYS 67 2HG LYS 67 9.516 -4.705 -2.869
543 2HG LYS 67 1HG LYS 67 8.216 -4.769 -1.680
544 1HD LYS 67 2HD LYS 67 10.935 -4.051 -0.691
545 2HD LYS 67 1HD LYS 67 10.067 -2.837 -1.630
546 1HE LYS 67 2HE LYS 67 9.642 -2.704 0.867
547 2HE LYS 67 1HE LYS 67 8.169 -2.936 -0.093
548 1HZ LYS 67 2HZ LYS 67 9.766 -5.121 1.133
549 2HZ LYS 67 1HZ LYS 67 8.310 -4.516 1.761
550 3HZ LYS 67 3HZ LYS 67 8.321 -5.304 0.260
551 H LEU 68 H LEU 68 11.827 -6.906 -4.607
552 HA LEU 68 HA LEU 68 13.268 -4.305 -4.411
553 1HB LEU 68 2HB LEU 68 13.431 -6.446 -6.544
554 2HB LEU 68 1HB LEU 68 14.650 -5.239 -6.130
555 HG LEU 68 HG LEU 68 14.258 -6.513 -3.722
556 1HD1 LEU 68 3HD1 LEU 68 13.405 -8.285 -5.887
557 2HD1 LEU 68 2HD1 LEU 68 14.713 -8.974 -4.925
558 3HD1 LEU 68 1HD1 LEU 68 13.214 -8.471 -4.144
559 1HD2 LEU 68 2HD2 LEU 68 16.334 -5.996 -5.420
560 2HD2 LEU 68 1HD2 LEU 68 16.489 -6.940 -3.939
561 3HD2 LEU 68 3HD2 LEU 68 16.280 -7.759 -5.488
562 H PHE 69 H PHE 69 10.758 -3.502 -4.740
563 HA PHE 69 HA PHE 69 10.617 -2.174 -7.208
564 1HB PHE 69 2HB PHE 69 8.792 -3.731 -8.238
565 2HB PHE 69 1HB PHE 69 10.482 -4.141 -8.438
566 HD1 PHE 69 HD2 PHE 69 8.754 -4.489 -5.181
567 HD2 PHE 69 HD1 PHE 69 10.100 -6.540 -8.708
568 HE1 PHE 69 HE2 PHE 69 8.386 -6.663 -4.059
569 HE2 PHE 69 HE1 PHE 69 9.734 -8.713 -7.579
570 HZ PHE 69 HZ PHE 69 8.877 -8.776 -5.255
571 H ARG 70 H ARG 70 7.587 -3.729 -6.863
572 HA ARG 70 HA ARG 70 6.685 -1.575 -4.991
573 1HB ARG 70 2HB ARG 70 6.225 -1.162 -7.427
574 2HB ARG 70 1HB ARG 70 5.231 -2.620 -7.425
575 1HG ARG 70 2HG ARG 70 3.540 -1.641 -6.153
576 2HG ARG 70 1HG ARG 70 4.658 -0.578 -5.304
577 1HD ARG 70 2HD ARG 70 3.916 1.058 -6.695
578 2HD ARG 70 1HD ARG 70 4.864 0.255 -7.962
579 HE ARG 70 HE ARG 70 1.955 -0.176 -7.472
580 1HH1 ARG 70 2HH1 ARG 70 4.264 0.431 -9.783
581 2HH1 ARG 70 1HH1 ARG 70 3.730 -0.770 -10.911
582 1HH2 ARG 70 1HH2 ARG 70 1.498 -2.235 -8.699
583 2HH2 ARG 70 2HH2 ARG 70 2.164 -2.279 -10.297
584 H ALA 71 H ALA 71 5.180 -2.114 -3.530
585 HA ALA 71 HA ALA 71 4.152 -4.923 -3.490
586 1HB ALA 71 1HB ALA 71 5.595 -3.730 -1.591
587 2HB ALA 71 3HB ALA 71 4.052 -2.977 -1.189
588 3HB ALA 71 2HB ALA 71 4.215 -4.731 -1.140
589 H ASP 72 H ASP 72 2.085 -4.852 -4.411
590 HA ASP 72 HA ASP 72 0.591 -2.301 -4.344
591 1HB ASP 72 2HB ASP 72 1.006 -4.017 -6.297
592 2HB ASP 72 1HB ASP 72 -0.364 -4.867 -5.579
593 H ILE 73 H ILE 73 -1.809 -2.451 -3.922
594 HA ILE 73 HA ILE 73 -2.751 -4.582 -2.145
595 HB ILE 73 HB ILE 73 -1.258 -2.723 -0.924
596 1HG1 ILE 73 2HG1 ILE 73 -2.631 -3.139 1.130
597 2HG1 ILE 73 1HG1 ILE 73 -3.876 -3.851 0.105
598 1HG2 ILE 73 2HG2 ILE 73 -2.891 -0.918 -1.820
599 2HG2 ILE 73 1HG2 ILE 73 -4.007 -1.521 -0.599
600 3HG2 ILE 73 3HG2 ILE 73 -2.452 -0.849 -0.116
601 1HD1 ILE 73 3HD1 ILE 73 -1.008 -4.815 0.152
602 2HD1 ILE 73 2HD1 ILE 73 -2.287 -5.524 1.137
603 3HD1 ILE 73 1HD1 ILE 73 -2.386 -5.598 -0.622
604 H SER 74 H SER 74 -4.789 -4.866 -2.939
605 HA SER 74 HA SER 74 -6.345 -2.403 -3.656
606 1HB SER 74 2HB SER 74 -5.427 -4.553 -5.259
607 2HB SER 74 1HB SER 74 -7.163 -4.795 -5.075
608 HG SER 74 HG SER 74 -5.763 -2.562 -6.100
609 H GLU 75 H GLU 75 -8.343 -2.306 -2.591
610 HA GLU 75 HA GLU 75 -9.630 -4.833 -1.678
611 1HB GLU 75 2HB GLU 75 -9.146 -2.550 0.241
612 2HB GLU 75 1HB GLU 75 -9.564 -4.220 0.615
613 1HG GLU 75 2HG GLU 75 -7.329 -4.896 -0.374
614 2HG GLU 75 1HG GLU 75 -6.923 -3.182 -0.441
615 H ASP 76 H ASP 76 -11.835 -4.672 -1.922
616 HA ASP 76 HA ASP 76 -13.011 -2.174 -2.879
617 1HB ASP 76 2HB ASP 76 -13.916 -4.953 -2.191
618 2HB ASP 76 1HB ASP 76 -15.111 -3.713 -2.569
619 H TYR 77 H TYR 77 -15.573 -2.382 -1.425
620 HA TYR 77 HA TYR 77 -15.104 -2.143 1.425
621 1HB TYR 77 2HB TYR 77 -14.183 -0.049 -0.143
622 2HB TYR 77 1HB TYR 77 -15.755 0.529 0.409
623 HD1 TYR 77 HD2 TYR 77 -15.679 -1.228 3.004
624 HD2 TYR 77 HD1 TYR 77 -12.929 1.552 1.228
625 HE1 TYR 77 HE2 TYR 77 -14.722 -0.747 5.240
626 HE2 TYR 77 HE1 TYR 77 -11.973 2.035 3.465
627 HH TYR 77 HH TYR 77 -13.407 0.698 6.402
628 H LYS 78 H LYS 78 -17.149 -0.859 -1.253
629 HA LYS 78 HA LYS 78 -19.535 -0.612 0.351
630 1HB LYS 78 2HB LYS 78 -19.782 0.580 -1.594
631 2HB LYS 78 1HB LYS 78 -18.682 -0.469 -2.482
632 1HG LYS 78 2HG LYS 78 -20.391 -2.023 -2.989
633 2HG LYS 78 1HG LYS 78 -21.449 -1.404 -1.720
634 1HD LYS 78 2HD LYS 78 -20.624 0.509 -3.853
635 2HD LYS 78 1HD LYS 78 -21.789 -0.739 -4.297
636 1HE LYS 78 2HE LYS 78 -23.395 0.031 -2.754
637 2HE LYS 78 1HE LYS 78 -22.182 0.896 -1.787
638 1HZ LYS 78 3HZ LYS 78 -22.832 1.550 -4.611
639 2HZ LYS 78 2HZ LYS 78 -23.491 2.368 -3.275
640 3HZ LYS 78 1HZ LYS 78 -21.818 2.424 -3.569
641 H THR 79 H THR 79 -18.715 -2.980 -2.179
642 HA THR 79 HA THR 79 -20.597 -4.935 -0.972
643 HB THR 79 HB THR 79 -20.363 -4.409 -3.469
644 HG1 THR 79 HG1 THR 79 -20.435 -6.651 -4.009
645 1HG2 THR 79 3HG2 THR 79 -17.690 -4.641 -2.984
646 2HG2 THR 79 2HG2 THR 79 -18.050 -6.241 -3.630
647 3HG2 THR 79 1HG2 THR 79 -18.417 -4.803 -4.582
648 H ARG 80 H ARG 80 -17.743 -3.925 -0.046
649 HA ARG 80 HA ARG 80 -15.825 -4.867 0.933
650 1HB ARG 80 2HB ARG 80 -17.845 -7.108 1.335
651 2HB ARG 80 1HB ARG 80 -16.388 -6.851 2.295
652 1HG ARG 80 2HG ARG 80 -18.494 -4.706 2.020
653 2HG ARG 80 1HG ARG 80 -18.603 -5.953 3.263
654 1HD ARG 80 2HD ARG 80 -16.399 -5.297 4.148
655 2HD ARG 80 1HD ARG 80 -16.253 -4.061 2.883
656 HE ARG 80 HE ARG 80 -18.706 -3.511 4.031
657 1HH1 ARG 80 2HH1 ARG 80 -15.384 -3.500 4.873
658 2HH1 ARG 80 1HH1 ARG 80 -15.616 -2.637 6.357
659 1HH2 ARG 80 1HH2 ARG 80 -19.073 -2.588 6.095
660 2HH2 ARG 80 2HH2 ARG 80 -17.706 -2.120 7.049
661 H GLY 81 H GLY 81 -15.983 -5.176 -1.852
662 1HA GLY 81 2HA GLY 81 -15.803 -7.515 -3.177
663 2HA GLY 81 1HA GLY 81 -14.577 -6.274 -3.418
664 H ARG 82 H ARG 82 -12.608 -6.396 -1.969
665 HA ARG 82 HA ARG 82 -12.191 -8.845 -0.430
666 1HB ARG 82 2HB ARG 82 -11.820 -8.730 -3.305
667 2HB ARG 82 1HB ARG 82 -10.333 -9.196 -2.479
668 1HG ARG 82 2HG ARG 82 -12.165 -10.685 -1.110
669 2HG ARG 82 1HG ARG 82 -12.893 -10.658 -2.716
670 1HD ARG 82 2HD ARG 82 -10.077 -11.570 -2.025
671 2HD ARG 82 1HD ARG 82 -11.407 -12.578 -2.628
672 HE ARG 82 HE ARG 82 -11.349 -10.912 -4.647
673 1HH1 ARG 82 2HH1 ARG 82 -9.391 -9.354 -5.106
674 2HH1 ARG 82 1HH1 ARG 82 -7.913 -10.230 -5.327
675 1HH2 ARG 82 1HH2 ARG 82 -9.125 -13.152 -3.908
676 2HH2 ARG 82 2HH2 ARG 82 -7.763 -12.382 -4.648
677 H LYS 83 H LYS 83 -9.498 -9.172 -0.805
678 HA LYS 83 HA LYS 83 -8.127 -6.568 -0.424
679 1HB LYS 83 2HB LYS 83 -7.933 -8.812 1.604
680 2HB LYS 83 1HB LYS 83 -7.392 -7.143 1.784
681 1HG LYS 83 2HG LYS 83 -9.755 -6.384 1.648
682 2HG LYS 83 1HG LYS 83 -10.270 -8.067 1.548
683 1HD LYS 83 2HD LYS 83 -8.655 -8.134 3.757
684 2HD LYS 83 1HD LYS 83 -9.354 -6.519 3.886
685 1HE LYS 83 2HE LYS 83 -11.602 -7.398 3.844
686 2HE LYS 83 1HE LYS 83 -11.013 -9.022 3.431
687 1HZ LYS 83 3HZ LYS 83 -9.884 -7.709 5.790
688 2HZ LYS 83 2HZ LYS 83 -11.459 -8.333 5.920
689 3HZ LYS 83 1HZ LYS 83 -10.169 -9.357 5.505
690 H LEU 84 H LEU 84 -5.956 -6.753 -1.168
691 HA LEU 84 HA LEU 84 -4.598 -9.322 -1.324
692 1HB LEU 84 2HB LEU 84 -6.521 -9.178 -3.113
693 2HB LEU 84 1HB LEU 84 -5.391 -8.136 -3.976
694 HG LEU 84 HG LEU 84 -5.253 -10.571 -4.615
695 1HD1 LEU 84 3HD1 LEU 84 -3.220 -8.693 -4.156
696 2HD1 LEU 84 2HD1 LEU 84 -2.599 -10.209 -3.504
697 3HD1 LEU 84 1HD1 LEU 84 -3.124 -10.120 -5.185
698 1HD2 LEU 84 3HD2 LEU 84 -5.593 -11.246 -2.120
699 2HD2 LEU 84 2HD2 LEU 84 -4.467 -12.190 -3.095
700 3HD2 LEU 84 1HD2 LEU 84 -3.856 -10.973 -1.974
701 H LEU 85 H LEU 85 -2.420 -9.071 -2.032
702 HA LEU 85 HA LEU 85 -1.574 -6.316 -2.814
703 1HB LEU 85 2HB LEU 85 -0.250 -6.102 -0.947
704 2HB LEU 85 1HB LEU 85 -1.393 -7.253 -0.267
705 HG LEU 85 HG LEU 85 1.187 -8.038 -1.651
706 1HD1 LEU 85 2HD1 LEU 85 0.653 -7.046 1.033
707 2HD1 LEU 85 1HD1 LEU 85 1.325 -8.677 1.068
708 3HD1 LEU 85 3HD1 LEU 85 2.198 -7.380 0.253
709 1HD2 LEU 85 3HD2 LEU 85 -0.731 -9.690 -1.599
710 2HD2 LEU 85 2HD2 LEU 85 0.721 -10.243 -0.767
711 3HD2 LEU 85 1HD2 LEU 85 -0.650 -9.636 0.159
712 H ARG 86 H ARG 86 0.916 -6.489 -3.467
713 HA ARG 86 HA ARG 86 1.533 -9.135 -4.684
714 1HB ARG 86 2HB ARG 86 1.460 -6.556 -6.271
715 2HB ARG 86 1HB ARG 86 1.654 -8.193 -6.897
716 1HG ARG 86 2HG ARG 86 -0.644 -8.683 -5.850
717 2HG ARG 86 1HG ARG 86 -0.815 -6.934 -5.696
718 1HD ARG 86 2HD ARG 86 0.045 -8.005 -8.357
719 2HD ARG 86 1HD ARG 86 -1.659 -8.193 -7.893
720 HE ARG 86 HE ARG 86 -0.915 -5.548 -7.228
721 1HH1 ARG 86 2HH1 ARG 86 -0.765 -7.484 -10.061
722 2HH1 ARG 86 1HH1 ARG 86 -1.347 -6.236 -11.113
723 1HH2 ARG 86 1HH2 ARG 86 -1.870 -3.955 -8.552
724 2HH2 ARG 86 2HH2 ARG 86 -1.972 -4.238 -10.258
725 H PHE 87 H PHE 87 3.725 -8.834 -5.958
726 HA PHE 87 HA PHE 87 5.562 -6.819 -4.806
727 1HB PHE 87 2HB PHE 87 6.251 -9.734 -4.484
728 2HB PHE 87 1HB PHE 87 6.876 -8.350 -3.594
729 HD1 PHE 87 HD1 PHE 87 4.046 -10.693 -3.955
730 HD2 PHE 87 HD2 PHE 87 5.667 -7.410 -1.705
731 HE1 PHE 87 HE1 PHE 87 2.379 -11.101 -2.160
732 HE2 PHE 87 HE2 PHE 87 3.998 -7.820 0.086
733 HZ PHE 87 HZ PHE 87 2.365 -9.659 -0.147
734 H ASN 88 H ASN 88 5.672 -6.329 -7.207
735 HA ASN 88 HA ASN 88 7.698 -8.093 -8.480
736 1HB ASN 88 2HB ASN 88 5.300 -7.425 -10.116
737 2HB ASN 88 1HB ASN 88 6.411 -8.784 -10.256
738 1HD2 ASN 88 2HD2 ASN 88 4.593 -10.858 -8.013
739 2HD2 ASN 88 1HD2 ASN 88 6.035 -10.662 -8.886
740 H GLY 89 H GLY 89 7.269 -7.001 -11.119
741 1HA GLY 89 2HA GLY 89 7.952 -5.128 -12.372
742 2HA GLY 89 1HA GLY 89 7.257 -4.128 -11.083
743 HA PRO 90 HA PRO 90 11.454 -5.379 -9.258
744 1HB PRO 90 2HB PRO 90 13.094 -6.970 -10.776
745 2HB PRO 90 1HB PRO 90 11.920 -7.593 -9.597
746 1HG PRO 90 2HG PRO 90 11.655 -7.319 -12.561
747 2HG PRO 90 1HG PRO 90 11.174 -8.662 -11.509
748 1HD PRO 90 2HD PRO 90 9.385 -6.875 -12.423
749 2HD PRO 90 1HD PRO 90 9.245 -7.595 -10.802
750 H VAL 91 HN VAL 91 13.520 -4.298 -9.493
751 HA VAL 91 HA VAL 91 13.583 -2.209 -11.486
752 HB VAL 91 HB VAL 91 15.866 -3.178 -9.752
753 1HG1 VAL 91 1HG1 VAL 91 15.548 -1.005 -11.474
754 2HG1 VAL 91 3HG1 VAL 91 15.276 -0.326 -9.869
755 3HG1 VAL 91 2HG1 VAL 91 16.783 -1.172 -10.226
756 1HG2 VAL 91 3HG2 VAL 91 13.205 -2.189 -8.965
757 2HG2 VAL 91 2HG2 VAL 91 14.428 -3.013 -7.998
758 3HG2 VAL 91 1HG2 VAL 91 14.539 -1.273 -8.262
No H/Q in entry = 758
Start of MODEL 6
1 1H GLY 1 1H GLY 1 -11.994 9.746 -7.259
2 2H GLY 1 3H GLY 1 -12.719 8.217 -7.373
3 3H GLY 1 2H GLY 1 -13.028 9.205 -6.026
4 1HA GLY 1 2HA GLY 1 -11.483 7.873 -5.080
5 2HA GLY 1 1HA GLY 1 -10.703 7.547 -6.629
6 H GLU 2 H GLU 2 -8.972 8.136 -4.685
7 HA GLU 2 HA GLU 2 -7.998 10.838 -5.452
8 1HB GLU 2 2HB GLU 2 -8.226 9.960 -2.564
9 2HB GLU 2 1HB GLU 2 -7.883 11.578 -3.176
10 1HG GLU 2 2HG GLU 2 -10.167 11.557 -4.258
11 2HG GLU 2 1HG GLU 2 -10.493 10.055 -3.391
12 H TRP 3 H TRP 3 -5.805 10.734 -5.781
13 HA TRP 3 HA TRP 3 -4.349 8.329 -4.750
14 1HB TRP 3 2HB TRP 3 -2.776 8.952 -6.634
15 2HB TRP 3 1HB TRP 3 -4.410 8.550 -7.163
16 HD1 TRP 3 HD1 TRP 3 -2.163 11.596 -6.488
17 HE1 TRP 3 HE1 TRP 3 -3.052 13.585 -7.866
18 HE3 TRP 3 HE3 TRP 3 -6.417 9.515 -8.399
19 HZ2 TRP 3 HZ2 TRP 3 -5.274 14.212 -9.555
20 HZ3 TRP 3 HZ3 TRP 3 -7.900 10.829 -9.887
21 HH2 TRP 3 HH2 TRP 3 -7.335 13.173 -10.467
22 H GLU 4 H GLU 4 -2.192 8.676 -3.867
23 HA GLU 4 HA GLU 4 -1.030 11.284 -3.488
24 1HB GLU 4 2HB GLU 4 -1.754 11.771 -1.265
25 2HB GLU 4 1HB GLU 4 -3.216 11.299 -2.130
26 1HG GLU 4 2HG GLU 4 -3.108 9.060 -1.211
27 2HG GLU 4 1HG GLU 4 -1.546 9.399 -0.463
28 H ILE 5 H ILE 5 1.090 10.987 -2.783
29 HA ILE 5 HA ILE 5 1.957 8.242 -2.183
30 HB ILE 5 HB ILE 5 4.177 9.356 -2.442
31 1HG1 ILE 5 2HG1 ILE 5 2.828 11.855 -3.332
32 2HG1 ILE 5 1HG1 ILE 5 2.986 11.603 -1.593
33 1HG2 ILE 5 1HG2 ILE 5 2.844 8.489 -4.390
34 2HG2 ILE 5 3HG2 ILE 5 2.230 10.126 -4.622
35 3HG2 ILE 5 2HG2 ILE 5 3.952 9.795 -4.809
36 1HD1 ILE 5 1HD1 ILE 5 5.413 11.251 -1.861
37 2HD1 ILE 5 3HD1 ILE 5 5.258 11.503 -3.599
38 3HD1 ILE 5 2HD1 ILE 5 4.934 12.829 -2.484
39 H ILE 6 H ILE 6 3.917 8.323 -0.452
40 HA ILE 6 HA ILE 6 2.915 9.782 1.974
41 HB ILE 6 HB ILE 6 4.327 7.278 2.527
42 1HG1 ILE 6 2HG1 ILE 6 3.245 6.735 0.278
43 2HG1 ILE 6 1HG1 ILE 6 2.744 5.712 1.617
44 1HG2 ILE 6 2HG2 ILE 6 2.862 8.633 4.058
45 2HG2 ILE 6 1HG2 ILE 6 1.475 8.115 3.100
46 3HG2 ILE 6 3HG2 ILE 6 2.437 6.926 3.978
47 1HD1 ILE 6 2HD1 ILE 6 1.140 8.173 1.222
48 2HD1 ILE 6 1HD1 ILE 6 0.990 6.951 -0.041
49 3HD1 ILE 6 3HD1 ILE 6 0.614 6.541 1.634
50 H ASP 7 H ASP 7 5.236 8.559 3.497
51 HA ASP 7 HA ASP 7 7.491 10.034 2.190
52 1HB ASP 7 2HB ASP 7 5.935 10.847 4.383
53 2HB ASP 7 1HB ASP 7 7.438 10.245 5.083
54 H ILE 8 H ILE 8 9.112 9.629 4.508
55 HA ILE 8 HA ILE 8 9.712 6.726 4.208
56 HB ILE 8 HB ILE 8 11.431 8.401 3.562
57 1HG1 ILE 8 2HG1 ILE 8 12.603 7.372 6.072
58 2HG1 ILE 8 1HG1 ILE 8 11.793 6.153 5.086
59 1HG2 ILE 8 3HG2 ILE 8 10.528 9.619 6.016
60 2HG2 ILE 8 2HG2 ILE 8 12.266 9.336 6.102
61 3HG2 ILE 8 1HG2 ILE 8 11.593 10.288 4.780
62 1HD1 ILE 8 2HD1 ILE 8 13.425 7.962 3.476
63 2HD1 ILE 8 1HD1 ILE 8 14.376 7.110 4.693
64 3HD1 ILE 8 3HD1 ILE 8 13.422 6.199 3.523
65 H GLY 9 H GLY 9 7.576 7.628 5.909
66 1HA GLY 9 2HA GLY 9 8.663 6.730 8.532
67 2HA GLY 9 1HA GLY 9 7.792 8.256 8.488
68 HA PRO 10 HA PRO 10 3.958 6.268 8.912
69 1HB PRO 10 2HB PRO 10 2.351 7.115 6.861
70 2HB PRO 10 1HB PRO 10 2.822 8.141 8.230
71 1HG PRO 10 2HG PRO 10 3.939 8.038 5.473
72 2HG PRO 10 1HG PRO 10 3.620 9.438 6.510
73 1HD PRO 10 2HD PRO 10 6.092 8.398 6.156
74 2HD PRO 10 1HD PRO 10 5.598 9.206 7.655
75 H PHE 11 H PHE 11 3.209 6.170 5.499
76 HA PHE 11 HA PHE 11 2.414 3.538 5.359
77 1HB PHE 11 2HB PHE 11 3.561 5.522 3.473
78 2HB PHE 11 1HB PHE 11 3.475 3.854 2.899
79 HD1 PHE 11 HD2 PHE 11 1.226 5.687 5.259
80 HD2 PHE 11 HD1 PHE 11 1.628 3.787 1.431
81 HE1 PHE 11 HE2 PHE 11 -1.212 5.932 4.882
82 HE2 PHE 11 HE1 PHE 11 -0.811 4.025 1.054
83 HZ PHE 11 HZ PHE 11 -2.231 5.100 2.779
84 H THR 12 H THR 12 5.754 4.646 5.518
85 HA THR 12 HA THR 12 7.145 2.395 4.554
86 HB THR 12 HB THR 12 8.905 3.264 5.933
87 HG1 THR 12 HG1 THR 12 8.121 4.915 7.565
88 1HG2 THR 12 2HG2 THR 12 7.661 4.815 4.182
89 2HG2 THR 12 1HG2 THR 12 7.312 5.757 5.628
90 3HG2 THR 12 3HG2 THR 12 8.980 5.427 5.173
91 H GLN 13 H GLN 13 6.158 3.145 7.876
92 HA GLN 13 HA GLN 13 6.759 0.615 9.036
93 1HB GLN 13 2HB GLN 13 6.076 2.929 10.042
94 2HB GLN 13 1HB GLN 13 4.426 2.334 9.861
95 1HG GLN 13 2HG GLN 13 5.365 0.196 11.069
96 2HG GLN 13 1HG GLN 13 6.626 1.299 11.621
97 1HE2 GLN 13 2HE2 GLN 13 3.282 1.303 13.681
98 2HE2 GLN 13 1HE2 GLN 13 3.923 -0.001 12.805
99 H ASN 14 H ASN 14 4.180 1.645 7.004
100 HA ASN 14 HA ASN 14 2.273 -0.440 7.639
101 1HB ASN 14 2HB ASN 14 2.258 1.917 6.280
102 2HB ASN 14 1HB ASN 14 2.323 0.772 4.940
103 1HD2 ASN 14 2HD2 ASN 14 -1.274 1.228 5.731
104 2HD2 ASN 14 1HD2 ASN 14 -0.020 2.193 5.116
105 H LEU 15 H LEU 15 4.372 0.055 4.831
106 HA LEU 15 HA LEU 15 4.033 -2.289 3.422
107 1HB LEU 15 2HB LEU 15 5.539 -0.644 2.616
108 2HB LEU 15 1HB LEU 15 6.469 -0.642 4.110
109 HG LEU 15 HG LEU 15 7.476 -1.838 2.036
110 1HD1 LEU 15 2HD1 LEU 15 7.931 -2.072 4.677
111 2HD1 LEU 15 1HD1 LEU 15 7.416 -3.723 4.336
112 3HD1 LEU 15 3HD1 LEU 15 8.794 -3.035 3.478
113 1HD2 LEU 15 2HD2 LEU 15 5.048 -3.246 2.222
114 2HD2 LEU 15 1HD2 LEU 15 6.431 -3.658 1.213
115 3HD2 LEU 15 3HD2 LEU 15 6.274 -4.361 2.821
116 H GLY 16 H GLY 16 6.431 -1.919 6.078
117 1HA GLY 16 2HA GLY 16 7.237 -4.604 6.243
118 2HA GLY 16 1HA GLY 16 7.192 -3.516 7.631
119 H LYS 17 H LYS 17 4.371 -3.030 7.613
120 HA LYS 17 HA LYS 17 3.456 -5.432 9.000
121 1HB LYS 17 2HB LYS 17 2.823 -2.619 8.759
122 2HB LYS 17 1HB LYS 17 1.357 -3.595 8.655
123 1HG LYS 17 2HG LYS 17 1.427 -4.031 10.861
124 2HG LYS 17 1HG LYS 17 3.083 -4.624 10.731
125 1HD LYS 17 2HD LYS 17 3.556 -1.979 10.512
126 2HD LYS 17 1HD LYS 17 2.093 -1.926 11.497
127 1HE LYS 17 2HE LYS 17 4.539 -3.605 12.162
128 2HE LYS 17 1HE LYS 17 4.152 -2.040 12.907
129 1HZ LYS 17 3HZ LYS 17 1.841 -3.135 13.245
130 2HZ LYS 17 2HZ LYS 17 2.698 -4.594 13.091
131 3HZ LYS 17 1HZ LYS 17 3.098 -3.497 14.326
132 H PHE 18 H PHE 18 1.513 -3.562 6.778
133 HA PHE 18 HA PHE 18 -0.238 -5.416 5.831
134 1HB PHE 18 2HB PHE 18 1.130 -3.049 4.706
135 2HB PHE 18 1HB PHE 18 0.325 -4.083 3.526
136 HD1 PHE 18 HD1 PHE 18 -1.942 -5.131 5.129
137 HD2 PHE 18 HD2 PHE 18 -0.296 -1.170 4.887
138 HE1 PHE 18 HE1 PHE 18 -4.136 -4.179 5.787
139 HE2 PHE 18 HE2 PHE 18 -2.490 -0.219 5.545
140 HZ PHE 18 HZ PHE 18 -4.409 -1.724 5.994
141 H ALA 19 H ALA 19 3.106 -5.145 4.784
142 HA ALA 19 HA ALA 19 2.953 -7.075 2.652
143 1HB ALA 19 2HB ALA 19 4.755 -5.404 2.973
144 2HB ALA 19 1HB ALA 19 5.273 -6.254 4.429
145 3HB ALA 19 3HB ALA 19 5.409 -7.037 2.855
146 H VAL 20 H VAL 20 4.662 -7.528 5.773
147 HA VAL 20 HA VAL 20 4.964 -10.257 5.818
148 HB VAL 20 HB VAL 20 4.180 -8.245 7.919
149 1HG1 VAL 20 1HG1 VAL 20 4.276 -11.211 8.163
150 2HG1 VAL 20 3HG1 VAL 20 5.067 -10.287 9.439
151 3HG1 VAL 20 2HG1 VAL 20 3.355 -10.036 9.101
152 1HG2 VAL 20 1HG2 VAL 20 6.666 -9.678 7.023
153 2HG2 VAL 20 3HG2 VAL 20 6.415 -7.954 7.295
154 3HG2 VAL 20 2HG2 VAL 20 6.566 -9.051 8.667
155 H ASP 21 H ASP 21 1.908 -8.523 6.096
156 HA ASP 21 HA ASP 21 0.443 -11.023 6.754
157 1HB ASP 21 2HB ASP 21 -0.112 -8.073 6.637
158 2HB ASP 21 1HB ASP 21 -1.473 -9.192 6.545
159 H GLU 22 H GLU 22 -0.234 -8.420 4.359
160 HA GLU 22 HA GLU 22 -1.696 -10.117 2.616
161 1HB GLU 22 2HB GLU 22 -0.246 -7.507 2.400
162 2HB GLU 22 1HB GLU 22 -0.831 -8.264 0.918
163 1HG GLU 22 2HG GLU 22 -2.747 -7.131 1.445
164 2HG GLU 22 1HG GLU 22 -3.030 -8.547 2.457
165 H GLU 23 H GLU 23 1.740 -9.545 2.901
166 HA GLU 23 HA GLU 23 2.509 -10.915 0.464
167 1HB GLU 23 2HB GLU 23 3.788 -9.267 2.092
168 2HB GLU 23 1HB GLU 23 4.216 -10.755 2.935
169 1HG GLU 23 2HG GLU 23 4.605 -11.250 0.170
170 2HG GLU 23 1HG GLU 23 5.337 -9.682 0.512
171 H ASN 24 H ASN 24 2.778 -11.911 3.908
172 HA ASN 24 HA ASN 24 3.285 -14.662 3.365
173 1HB ASN 24 2HB ASN 24 1.867 -13.210 5.628
174 2HB ASN 24 1HB ASN 24 2.260 -14.925 5.695
175 1HD2 ASN 24 2HD2 ASN 24 5.771 -13.006 5.177
176 2HD2 ASN 24 1HD2 ASN 24 4.629 -13.139 3.933
177 H LYS 25 H LYS 25 0.254 -12.859 3.837
178 HA LYS 25 HA LYS 25 -1.582 -14.989 3.519
179 1HB LYS 25 2HB LYS 25 -2.126 -12.686 4.231
180 2HB LYS 25 1HB LYS 25 -1.739 -12.103 2.611
181 1HG LYS 25 2HG LYS 25 -4.120 -12.347 2.676
182 2HG LYS 25 1HG LYS 25 -3.513 -13.716 1.745
183 1HD LYS 25 2HD LYS 25 -3.467 -14.518 4.459
184 2HD LYS 25 1HD LYS 25 -5.028 -13.739 4.196
185 1HE LYS 25 2HE LYS 25 -4.115 -15.615 2.064
186 2HE LYS 25 1HE LYS 25 -4.629 -16.336 3.603
187 1HZ LYS 25 1HZ LYS 25 -6.589 -14.782 3.479
188 2HZ LYS 25 3HZ LYS 25 -6.155 -14.480 1.866
189 3HZ LYS 25 2HZ LYS 25 -6.588 -16.051 2.348
190 H ILE 26 H ILE 26 -0.313 -12.777 1.047
191 HA ILE 26 HA ILE 26 -1.512 -13.971 -1.211
192 HB ILE 26 HB ILE 26 -0.014 -11.822 -0.869
193 1HG1 ILE 26 2HG1 ILE 26 -1.246 -12.286 -2.906
194 2HG1 ILE 26 1HG1 ILE 26 0.387 -11.771 -3.327
195 1HG2 ILE 26 3HG2 ILE 26 1.975 -13.804 -0.753
196 2HG2 ILE 26 2HG2 ILE 26 2.121 -13.099 -2.359
197 3HG2 ILE 26 1HG2 ILE 26 2.223 -12.072 -0.933
198 1HD1 ILE 26 1HD1 ILE 26 0.953 -14.310 -3.307
199 2HD1 ILE 26 3HD1 ILE 26 -0.792 -14.542 -3.414
200 3HD1 ILE 26 2HD1 ILE 26 0.061 -13.666 -4.684
201 H GLY 27 H GLY 27 1.079 -15.097 0.774
202 1HA GLY 27 2HA GLY 27 1.453 -17.592 0.602
203 2HA GLY 27 1HA GLY 27 1.537 -17.353 -1.144
204 H GLN 28 H GLN 28 2.934 -14.890 0.825
205 HA GLN 28 HA GLN 28 5.663 -15.894 0.091
206 1HB GLN 28 2HB GLN 28 4.554 -13.095 0.488
207 2HB GLN 28 1HB GLN 28 6.230 -13.463 0.078
208 1HG GLN 28 2HG GLN 28 3.879 -14.372 -1.599
209 2HG GLN 28 1HG GLN 28 4.760 -12.874 -1.902
210 1HE2 GLN 28 2HE2 GLN 28 6.366 -16.408 -3.060
211 2HE2 GLN 28 1HE2 GLN 28 4.838 -16.326 -2.327
212 H TYR 29 H TYR 29 4.941 -17.035 2.359
213 HA TYR 29 HA TYR 29 5.386 -15.329 4.711
214 1HB TYR 29 2HB TYR 29 3.786 -17.107 4.865
215 2HB TYR 29 1HB TYR 29 4.929 -18.278 4.209
216 HD1 TYR 29 HD2 TYR 29 4.265 -16.054 7.125
217 HD2 TYR 29 HD1 TYR 29 6.460 -19.424 5.618
218 HE1 TYR 29 HE2 TYR 29 5.066 -16.558 9.417
219 HE2 TYR 29 HE1 TYR 29 7.261 -19.928 7.910
220 HH TYR 29 HH TYR 29 6.937 -17.729 10.493
221 H GLY 30 H GLY 30 7.509 -16.166 2.489
222 1HA GLY 30 2HA GLY 30 9.554 -17.731 3.489
223 2HA GLY 30 1HA GLY 30 9.867 -16.249 2.585
224 H ARG 31 H ARG 31 9.135 -14.244 4.228
225 HA ARG 31 HA ARG 31 9.949 -14.619 6.994
226 1HB ARG 31 2HB ARG 31 11.974 -14.555 5.075
227 2HB ARG 31 1HB ARG 31 11.947 -12.911 5.712
228 1HG ARG 31 2HG ARG 31 12.377 -13.628 7.917
229 2HG ARG 31 1HG ARG 31 11.895 -15.288 7.565
230 1HD ARG 31 2HD ARG 31 13.959 -15.838 6.748
231 2HD ARG 31 1HD ARG 31 14.152 -14.274 5.930
232 HE ARG 31 HE ARG 31 15.181 -13.442 7.889
233 1HH1 ARG 31 2HH1 ARG 31 14.097 -13.273 10.191
234 2HH1 ARG 31 1HH1 ARG 31 14.302 -14.733 11.100
235 1HH2 ARG 31 1HH2 ARG 31 15.146 -16.648 8.336
236 2HH2 ARG 31 2HH2 ARG 31 14.896 -16.643 10.051
237 H LEU 32 H LEU 32 11.168 -11.890 7.060
238 HA LEU 32 HA LEU 32 8.763 -10.350 7.399
239 1HB LEU 32 2HB LEU 32 11.601 -9.338 7.091
240 2HB LEU 32 1HB LEU 32 10.305 -8.625 8.042
241 HG LEU 32 HG LEU 32 11.342 -9.685 9.762
242 1HD1 LEU 32 3HD1 LEU 32 9.180 -11.076 9.066
243 2HD1 LEU 32 2HD1 LEU 32 10.382 -12.346 8.845
244 3HD1 LEU 32 1HD1 LEU 32 10.203 -11.567 10.416
245 1HD2 LEU 32 1HD2 LEU 32 12.735 -11.004 7.577
246 2HD2 LEU 32 3HD2 LEU 32 13.334 -10.539 9.170
247 3HD2 LEU 32 2HD2 LEU 32 12.498 -12.078 8.957
248 H THR 33 H THR 33 9.016 -7.946 6.287
249 HA THR 33 HA THR 33 9.614 -8.236 3.386
250 HB THR 33 HB THR 33 7.047 -6.949 3.815
251 HG1 THR 33 HG1 THR 33 6.200 -9.251 4.305
252 1HG2 THR 33 3HG2 THR 33 8.056 -9.356 2.296
253 2HG2 THR 33 2HG2 THR 33 6.361 -8.872 2.264
254 3HG2 THR 33 1HG2 THR 33 7.602 -7.777 1.656
255 H PHE 34 H PHE 34 11.156 -6.707 5.026
256 HA PHE 34 HA PHE 34 10.860 -4.042 3.959
257 1HB PHE 34 2HB PHE 34 9.007 -3.992 5.552
258 2HB PHE 34 1HB PHE 34 10.068 -4.554 6.844
259 HD1 PHE 34 HD2 PHE 34 10.535 -1.982 4.155
260 HD2 PHE 34 HD1 PHE 34 10.384 -2.809 8.368
261 HE1 PHE 34 HE2 PHE 34 11.195 0.358 4.637
262 HE2 PHE 34 HE1 PHE 34 11.046 -0.468 8.850
263 HZ PHE 34 HZ PHE 34 11.451 1.116 6.986
264 H ASN 35 H ASN 35 13.112 -4.225 3.551
265 HA ASN 35 HA ASN 35 14.854 -4.200 5.993
266 1HB ASN 35 2HB ASN 35 15.019 -6.349 4.884
267 2HB ASN 35 1HB ASN 35 15.221 -5.572 3.314
268 1HD2 ASN 35 2HD2 ASN 35 18.449 -6.138 5.667
269 2HD2 ASN 35 1HD2 ASN 35 16.919 -6.755 6.068
270 H LYS 36 H LYS 36 14.872 -3.456 2.473
271 HA LYS 36 HA LYS 36 17.033 -1.563 2.676
272 1HB LYS 36 2HB LYS 36 15.091 -2.560 0.678
273 2HB LYS 36 1HB LYS 36 15.754 -0.959 0.351
274 1HG LYS 36 2HG LYS 36 17.081 -2.928 -0.593
275 2HG LYS 36 1HG LYS 36 17.997 -1.776 0.378
276 1HD LYS 36 2HD LYS 36 17.843 -3.236 2.327
277 2HD LYS 36 1HD LYS 36 16.816 -4.360 1.438
278 1HE LYS 36 2HE LYS 36 19.569 -3.639 0.417
279 2HE LYS 36 1HE LYS 36 19.330 -4.955 1.582
280 1HZ LYS 36 1HZ LYS 36 17.406 -5.578 -0.037
281 2HZ LYS 36 3HZ LYS 36 18.322 -4.709 -1.169
282 3HZ LYS 36 2HZ LYS 36 18.998 -6.058 -0.388
283 H VAL 37 H VAL 37 14.236 -0.225 1.063
284 HA VAL 37 HA VAL 37 13.491 1.507 3.330
285 HB VAL 37 HB VAL 37 15.344 2.268 1.098
286 1HG1 VAL 37 2HG1 VAL 37 13.410 3.817 0.895
287 2HG1 VAL 37 1HG1 VAL 37 13.590 4.238 2.599
288 3HG1 VAL 37 3HG1 VAL 37 14.864 4.645 1.450
289 1HG2 VAL 37 2HG2 VAL 37 15.179 2.554 4.081
290 2HG2 VAL 37 1HG2 VAL 37 16.506 1.946 3.090
291 3HG2 VAL 37 3HG2 VAL 37 16.179 3.677 3.160
292 H ILE 38 H ILE 38 11.984 3.316 2.509
293 HA ILE 38 HA ILE 38 10.369 2.418 0.144
294 HB ILE 38 HB ILE 38 9.076 1.763 1.985
295 1HG1 ILE 38 2HG1 ILE 38 7.967 3.532 0.458
296 2HG1 ILE 38 1HG1 ILE 38 7.181 3.169 1.989
297 1HG2 ILE 38 3HG2 ILE 38 10.637 2.779 3.670
298 2HG2 ILE 38 2HG2 ILE 38 9.798 4.314 3.445
299 3HG2 ILE 38 1HG2 ILE 38 8.933 2.921 4.091
300 1HD1 ILE 38 3HD1 ILE 38 8.817 5.203 2.765
301 2HD1 ILE 38 2HD1 ILE 38 8.530 5.654 1.090
302 3HD1 ILE 38 1HD1 ILE 38 7.170 5.447 2.189
303 H ARG 39 H ARG 39 10.354 3.999 -1.364
304 HA ARG 39 HA ARG 39 10.427 6.843 -0.435
305 1HB ARG 39 2HB ARG 39 12.241 5.300 -2.124
306 2HB ARG 39 1HB ARG 39 11.662 6.758 -2.933
307 1HG ARG 39 2HG ARG 39 12.708 6.813 -0.098
308 2HG ARG 39 1HG ARG 39 13.773 7.011 -1.491
309 1HD ARG 39 2HD ARG 39 12.393 8.931 -2.262
310 2HD ARG 39 1HD ARG 39 11.373 8.755 -0.820
311 HE ARG 39 HE ARG 39 13.493 9.111 0.527
312 1HH1 ARG 39 1HH2 ARG 39 14.742 9.121 -2.462
313 2HH1 ARG 39 2HH2 ARG 39 15.321 10.753 -2.470
314 1HH2 ARG 39 2HH1 ARG 39 13.603 11.656 0.403
315 2HH2 ARG 39 1HH1 ARG 39 14.676 12.189 -0.847
316 HA PRO 40 HA PRO 40 7.901 6.839 -4.365
317 1HB PRO 40 2HB PRO 40 7.923 4.717 -6.091
318 2HB PRO 40 1HB PRO 40 9.121 6.023 -6.134
319 1HG PRO 40 2HG PRO 40 9.427 3.253 -5.258
320 2HG PRO 40 1HG PRO 40 10.653 4.429 -5.731
321 1HD PRO 40 2HD PRO 40 9.911 3.632 -3.085
322 2HD PRO 40 1HD PRO 40 11.140 4.815 -3.574
323 H CYS 41 H CYS 41 7.064 5.720 -1.948
324 HA CYS 41 HA CYS 41 5.229 3.482 -2.435
325 1HB CYS 41 2HB CYS 41 4.575 4.019 -0.076
326 2HB CYS 41 1HB CYS 41 6.315 3.838 -0.268
327 HG CYS 41 HG CYS 41 6.641 6.252 0.260
328 H MET 42 H MET 42 3.880 4.369 -4.170
329 HA MET 42 HA MET 42 2.357 6.845 -3.639
330 1HB MET 42 2HB MET 42 2.558 4.836 -5.894
331 2HB MET 42 1HB MET 42 1.418 6.181 -5.935
332 1HG MET 42 2HG MET 42 3.083 7.769 -6.137
333 2HG MET 42 1HG MET 42 4.266 6.792 -5.267
334 1HE MET 42 2HE MET 42 4.525 4.416 -6.001
335 2HE MET 42 1HE MET 42 4.890 3.900 -7.647
336 3HE MET 42 3HE MET 42 6.025 4.934 -6.768
337 H LYS 43 H LYS 43 0.242 6.874 -2.919
338 HA LYS 43 HA LYS 43 -1.132 4.228 -2.583
339 1HB LYS 43 2HB LYS 43 -0.583 5.098 -0.449
340 2HB LYS 43 1HB LYS 43 -0.986 6.746 -0.925
341 1HG LYS 43 2HG LYS 43 -3.175 4.741 -1.113
342 2HG LYS 43 1HG LYS 43 -2.666 5.204 0.512
343 1HD LYS 43 2HD LYS 43 -3.126 7.513 0.106
344 2HD LYS 43 1HD LYS 43 -3.296 7.245 -1.629
345 1HE LYS 43 2HE LYS 43 -5.536 7.129 -1.175
346 2HE LYS 43 1HE LYS 43 -5.170 5.498 -0.576
347 1HZ LYS 43 2HZ LYS 43 -4.712 7.845 1.146
348 2HZ LYS 43 1HZ LYS 43 -6.274 7.187 1.019
349 3HZ LYS 43 3HZ LYS 43 -4.995 6.230 1.591
350 H LYS 44 H LYS 44 -3.191 4.047 -3.432
351 HA LYS 44 HA LYS 44 -4.619 6.526 -4.284
352 1HB LYS 44 2HB LYS 44 -4.197 4.108 -6.063
353 2HB LYS 44 1HB LYS 44 -4.851 5.678 -6.527
354 1HG LYS 44 2HG LYS 44 -2.606 6.668 -5.811
355 2HG LYS 44 1HG LYS 44 -2.006 5.011 -5.750
356 1HD LYS 44 2HD LYS 44 -2.516 4.673 -8.093
357 2HD LYS 44 1HD LYS 44 -3.321 6.239 -8.188
358 1HE LYS 44 2HE LYS 44 -1.348 7.355 -8.425
359 2HE LYS 44 1HE LYS 44 -0.553 6.385 -7.168
360 1HZ LYS 44 3HZ LYS 44 -0.596 4.501 -8.783
361 2HZ LYS 44 2HZ LYS 44 -1.092 5.600 -9.981
362 3HZ LYS 44 1HZ LYS 44 0.424 5.780 -9.235
363 H THR 45 H THR 45 -6.658 6.351 -3.439
364 HA THR 45 HA THR 45 -7.886 3.616 -3.261
365 HB THR 45 HB THR 45 -7.831 5.960 -1.350
366 HG1 THR 45 HG1 THR 45 -7.529 3.310 -0.598
367 1HG2 THR 45 3HG2 THR 45 -10.094 4.348 -1.854
368 2HG2 THR 45 2HG2 THR 45 -9.376 3.717 -0.382
369 3HG2 THR 45 1HG2 THR 45 -9.836 5.415 -0.480
370 H ILE 46 H ILE 46 -10.137 3.521 -3.681
371 HA ILE 46 HA ILE 46 -11.307 5.975 -4.949
372 HB ILE 46 HB ILE 46 -10.843 4.075 -6.471
373 1HG1 ILE 46 2HG1 ILE 46 -13.550 3.590 -6.745
374 2HG1 ILE 46 1HG1 ILE 46 -13.526 5.119 -5.865
375 1HG2 ILE 46 1HG2 ILE 46 -12.408 2.610 -4.353
376 2HG2 ILE 46 3HG2 ILE 46 -12.359 2.005 -6.008
377 3HG2 ILE 46 2HG2 ILE 46 -10.865 2.172 -5.086
378 1HD1 ILE 46 1HD1 ILE 46 -11.561 4.998 -8.045
379 2HD1 ILE 46 3HD1 ILE 46 -13.232 4.867 -8.596
380 3HD1 ILE 46 2HD1 ILE 46 -12.724 6.264 -7.646
381 H TYR 47 H TYR 47 -11.436 5.611 -2.169
382 HA TYR 47 HA TYR 47 -13.832 4.202 -1.366
383 1HB TYR 47 2HB TYR 47 -11.880 6.124 -0.142
384 2HB TYR 47 1HB TYR 47 -13.363 5.742 0.721
385 HD1 TYR 47 HD1 TYR 47 -13.432 2.785 -0.460
386 HD2 TYR 47 HD2 TYR 47 -10.476 5.137 1.585
387 HE1 TYR 47 HE1 TYR 47 -12.375 0.719 0.387
388 HE2 TYR 47 HE2 TYR 47 -9.422 3.063 2.436
389 HH TYR 47 HH TYR 47 -10.672 -0.145 1.513
390 H GLU 48 H GLU 48 -15.511 5.571 -0.032
391 HA GLU 48 HA GLU 48 -16.505 7.730 -1.821
392 1HB GLU 48 2HB GLU 48 -17.615 5.530 -0.366
393 2HB GLU 48 1HB GLU 48 -18.315 7.021 0.266
394 1HG GLU 48 2HG GLU 48 -18.377 7.495 -2.432
395 2HG GLU 48 1HG GLU 48 -18.667 5.755 -2.372
396 H ASN 49 H ASN 49 -17.041 7.219 1.602
397 HA ASN 49 HA ASN 49 -16.339 8.519 3.498
398 1HB ASN 49 2HB ASN 49 -14.558 9.329 1.615
399 2HB ASN 49 1HB ASN 49 -15.485 10.817 1.815
400 1HD2 ASN 49 2HD2 ASN 49 -14.348 11.391 5.150
401 2HD2 ASN 49 1HD2 ASN 49 -15.546 11.779 4.013
402 H GLU 50 H GLU 50 -18.192 9.504 0.792
403 HA GLU 50 HA GLU 50 -19.612 11.606 2.354
404 1HB GLU 50 2HB GLU 50 -18.764 11.411 -0.267
405 2HB GLU 50 1HB GLU 50 -20.461 10.948 -0.395
406 1HG GLU 50 2HG GLU 50 -19.781 13.339 1.267
407 2HG GLU 50 1HG GLU 50 -19.729 13.505 -0.489
408 H ARG 51 H ARG 51 -19.689 8.309 1.950
409 HA ARG 51 HA ARG 51 -22.399 8.085 2.994
410 1HB ARG 51 2HB ARG 51 -22.242 8.502 0.300
411 2HB ARG 51 1HB ARG 51 -22.206 6.740 0.366
412 1HG ARG 51 2HG ARG 51 -24.190 7.852 2.192
413 2HG ARG 51 1HG ARG 51 -24.486 8.338 0.522
414 1HD ARG 51 2HD ARG 51 -25.630 6.252 0.763
415 2HD ARG 51 1HD ARG 51 -24.114 5.833 -0.063
416 HE ARG 51 HE ARG 51 -23.201 5.133 2.126
417 1HH1 ARG 51 2HH1 ARG 51 -26.433 4.620 1.465
418 2HH1 ARG 51 1HH1 ARG 51 -26.903 4.273 3.095
419 1HH2 ARG 51 1HH2 ARG 51 -23.853 5.210 4.454
420 2HH2 ARG 51 2HH2 ARG 51 -25.443 4.607 4.787
421 H GLU 52 H GLU 52 -19.535 6.535 1.587
422 HA GLU 52 HA GLU 52 -19.655 4.395 3.573
423 1HB GLU 52 2HB GLU 52 -20.033 2.607 1.866
424 2HB GLU 52 1HB GLU 52 -21.415 3.694 2.024
425 1HG GLU 52 2HG GLU 52 -20.261 5.051 0.118
426 2HG GLU 52 1HG GLU 52 -19.367 3.558 -0.178
427 H ILE 53 H ILE 53 -18.128 2.480 2.373
428 HA ILE 53 HA ILE 53 -15.628 3.937 1.573
429 HB ILE 53 HB ILE 53 -15.987 1.311 3.053
430 1HG1 ILE 53 2HG1 ILE 53 -16.811 3.289 4.332
431 2HG1 ILE 53 1HG1 ILE 53 -15.376 2.570 5.063
432 1HG2 ILE 53 2HG2 ILE 53 -13.595 3.034 2.372
433 2HG2 ILE 53 1HG2 ILE 53 -13.549 1.813 3.644
434 3HG2 ILE 53 3HG2 ILE 53 -13.856 1.337 1.974
435 1HD1 ILE 53 2HD1 ILE 53 -15.329 4.946 3.180
436 2HD1 ILE 53 1HD1 ILE 53 -15.250 5.063 4.938
437 3HD1 ILE 53 3HD1 ILE 53 -13.952 4.267 4.049
438 H LYS 54 H LYS 54 -15.317 3.590 -0.599
439 HA LYS 54 HA LYS 54 -16.452 1.273 -1.960
440 1HB LYS 54 2HB LYS 54 -15.329 3.859 -2.587
441 2HB LYS 54 1HB LYS 54 -14.666 2.615 -3.650
442 1HG LYS 54 2HG LYS 54 -16.828 1.928 -4.372
443 2HG LYS 54 1HG LYS 54 -17.625 2.842 -3.091
444 1HD LYS 54 2HD LYS 54 -17.632 4.729 -4.329
445 2HD LYS 54 1HD LYS 54 -15.921 4.554 -4.718
446 1HE LYS 54 2HE LYS 54 -18.217 3.132 -6.119
447 2HE LYS 54 1HE LYS 54 -17.222 4.439 -6.793
448 1HZ LYS 54 2HZ LYS 54 -15.298 2.862 -6.007
449 2HZ LYS 54 1HZ LYS 54 -16.487 1.663 -6.202
450 3HZ LYS 54 3HZ LYS 54 -16.044 2.637 -7.518
451 H GLY 55 H GLY 55 -13.015 2.408 -2.300
452 1HA GLY 55 2HA GLY 55 -12.145 -0.304 -1.490
453 2HA GLY 55 1HA GLY 55 -11.894 0.092 -3.187
454 H TYR 56 H TYR 56 -9.616 -0.433 -2.150
455 HA TYR 56 HA TYR 56 -8.244 2.157 -1.884
456 1HB TYR 56 2HB TYR 56 -8.745 1.970 0.385
457 2HB TYR 56 1HB TYR 56 -8.739 0.212 0.345
458 HD1 TYR 56 HD1 TYR 56 -6.037 2.319 -1.094
459 HD2 TYR 56 HD2 TYR 56 -7.267 -0.129 2.216
460 HE1 TYR 56 HE1 TYR 56 -3.712 2.308 -0.238
461 HE2 TYR 56 HE2 TYR 56 -4.938 -0.144 3.068
462 HH TYR 56 HH TYR 56 -2.658 0.170 2.186
463 H GLU 57 H GLU 57 -7.174 1.358 -3.843
464 HA GLU 57 HA GLU 57 -5.547 -1.112 -3.623
465 1HB GLU 57 2HB GLU 57 -5.043 -0.610 -5.971
466 2HB GLU 57 1HB GLU 57 -6.778 -0.434 -5.706
467 1HG GLU 57 2HG GLU 57 -6.514 1.998 -5.470
468 2HG GLU 57 1HG GLU 57 -4.770 1.841 -5.683
469 H TYR 58 H TYR 58 -3.136 -0.953 -3.781
470 HA TYR 58 HA TYR 58 -2.120 1.807 -3.196
471 1HB TYR 58 2HB TYR 58 -2.589 0.744 -1.081
472 2HB TYR 58 1HB TYR 58 -1.716 -0.707 -1.571
473 HD1 TYR 58 HD1 TYR 58 -0.421 2.543 -2.613
474 HD2 TYR 58 HD2 TYR 58 -0.230 -0.487 0.421
475 HE1 TYR 58 HE1 TYR 58 1.658 3.557 -1.733
476 HE2 TYR 58 HE2 TYR 58 1.852 0.528 1.301
477 HH TYR 58 HH TYR 58 3.045 2.561 1.284
478 H GLN 59 H GLN 59 -0.386 2.254 -4.414
479 HA GLN 59 HA GLN 59 1.251 0.043 -5.559
480 1HB GLN 59 2HB GLN 59 1.143 3.045 -6.056
481 2HB GLN 59 1HB GLN 59 2.105 1.898 -6.990
482 1HG GLN 59 2HG GLN 59 -0.184 0.664 -7.329
483 2HG GLN 59 1HG GLN 59 -0.882 2.226 -6.901
484 1HE2 GLN 59 1HE2 GLN 59 2.016 1.333 -8.869
485 2HE2 GLN 59 2HE2 GLN 59 1.543 2.228 -10.231
486 H LEU 60 H LEU 60 2.551 -0.512 -3.745
487 HA LEU 60 HA LEU 60 3.990 1.644 -2.291
488 1HB LEU 60 2HB LEU 60 2.868 -0.087 -0.984
489 2HB LEU 60 1HB LEU 60 3.681 -1.354 -1.899
490 HG LEU 60 HG LEU 60 5.869 -0.113 -1.065
491 1HD1 LEU 60 1HD1 LEU 60 3.725 0.751 0.880
492 2HD1 LEU 60 3HD1 LEU 60 5.431 0.682 1.320
493 3HD1 LEU 60 2HD1 LEU 60 4.896 1.763 0.035
494 1HD2 LEU 60 2HD2 LEU 60 5.000 -2.454 -0.511
495 2HD2 LEU 60 1HD2 LEU 60 6.017 -1.699 0.717
496 3HD2 LEU 60 3HD2 LEU 60 4.266 -1.735 0.923
497 H TYR 61 H TYR 61 5.130 1.933 -4.515
498 HA TYR 61 HA TYR 61 7.011 -0.098 -5.341
499 1HB TYR 61 2HB TYR 61 6.153 1.418 -6.923
500 2HB TYR 61 1HB TYR 61 6.462 2.804 -5.889
501 HD1 TYR 61 HD2 TYR 61 9.073 0.285 -5.995
502 HD2 TYR 61 HD1 TYR 61 7.605 3.839 -7.904
503 HE1 TYR 61 HE2 TYR 61 11.273 0.603 -7.090
504 HE2 TYR 61 HE1 TYR 61 9.805 4.158 -9.001
505 HH TYR 61 HH TYR 61 12.588 2.457 -8.062
506 H VAL 62 H VAL 62 8.643 -0.660 -3.960
507 HA VAL 62 HA VAL 62 10.540 1.385 -2.994
508 HB VAL 62 HB VAL 62 10.179 0.771 -0.635
509 1HG1 VAL 62 2HG1 VAL 62 8.779 2.599 -1.701
510 2HG1 VAL 62 1HG1 VAL 62 7.488 1.407 -1.868
511 3HG1 VAL 62 3HG1 VAL 62 8.069 1.856 -0.268
512 1HG2 VAL 62 2HG2 VAL 62 8.054 -1.038 -1.808
513 2HG2 VAL 62 1HG2 VAL 62 9.481 -1.520 -0.891
514 3HG2 VAL 62 3HG2 VAL 62 8.169 -0.655 -0.090
515 H TYR 63 H TYR 63 11.851 -0.205 -1.143
516 HA TYR 63 HA TYR 63 12.282 -2.827 -2.487
517 1HB TYR 63 2HB TYR 63 13.857 -1.102 -3.393
518 2HB TYR 63 1HB TYR 63 14.477 -0.865 -1.759
519 HD1 TYR 63 HD2 TYR 63 13.394 -4.246 -2.529
520 HD2 TYR 63 HD1 TYR 63 16.719 -1.534 -2.737
521 HE1 TYR 63 HE2 TYR 63 14.933 -6.159 -2.831
522 HE2 TYR 63 HE1 TYR 63 18.260 -3.453 -3.043
523 HH TYR 63 HH TYR 63 17.246 -6.509 -3.875
524 H ALA 64 H ALA 64 12.444 -4.416 -0.970
525 HA ALA 64 HA ALA 64 13.170 -3.619 1.820
526 1HB ALA 64 3HB ALA 64 10.745 -4.077 1.329
527 2HB ALA 64 2HB ALA 64 11.202 -5.728 0.906
528 3HB ALA 64 1HB ALA 64 11.437 -5.141 2.554
529 H SER 65 H SER 65 12.491 -6.880 1.668
530 HA SER 65 HA SER 65 15.382 -7.565 1.569
531 1HB SER 65 2HB SER 65 14.786 -9.192 3.069
532 2HB SER 65 1HB SER 65 13.339 -8.207 3.267
533 HG SER 65 HG SER 65 13.650 -10.671 2.143
534 H ASP 66 H ASP 66 12.264 -8.622 0.167
535 HA ASP 66 HA ASP 66 13.796 -9.755 -2.151
536 1HB ASP 66 2HB ASP 66 12.225 -11.065 -0.195
537 2HB ASP 66 1HB ASP 66 11.258 -11.057 -1.670
538 H LYS 67 H LYS 67 11.620 -7.450 -1.152
539 HA LYS 67 HA LYS 67 9.892 -7.537 -3.569
540 1HB LYS 67 2HB LYS 67 8.637 -7.041 -1.694
541 2HB LYS 67 1HB LYS 67 9.969 -6.212 -0.897
542 1HG LYS 67 2HG LYS 67 9.115 -4.850 -3.344
543 2HG LYS 67 1HG LYS 67 7.820 -4.985 -2.157
544 1HD LYS 67 2HD LYS 67 10.511 -4.176 -1.158
545 2HD LYS 67 1HD LYS 67 9.589 -2.981 -2.070
546 1HE LYS 67 2HE LYS 67 9.177 -2.935 0.439
547 2HE LYS 67 1HE LYS 67 7.711 -3.171 -0.531
548 1HZ LYS 67 3HZ LYS 67 9.357 -5.359 0.623
549 2HZ LYS 67 2HZ LYS 67 7.894 -4.805 1.278
550 3HZ LYS 67 1HZ LYS 67 7.916 -5.545 -0.250
551 H LEU 68 H LEU 68 11.413 -6.957 -5.175
552 HA LEU 68 HA LEU 68 12.884 -4.386 -4.928
553 1HB LEU 68 2HB LEU 68 12.950 -6.861 -6.590
554 2HB LEU 68 1HB LEU 68 13.523 -5.378 -7.351
555 HG LEU 68 HG LEU 68 14.487 -6.330 -4.643
556 1HD1 LEU 68 1HD1 LEU 68 15.014 -7.531 -7.112
557 2HD1 LEU 68 3HD1 LEU 68 16.403 -6.482 -6.831
558 3HD1 LEU 68 2HD1 LEU 68 15.970 -7.708 -5.640
559 1HD2 LEU 68 2HD2 LEU 68 15.378 -4.205 -6.610
560 2HD2 LEU 68 1HD2 LEU 68 14.831 -3.970 -4.951
561 3HD2 LEU 68 3HD2 LEU 68 16.382 -4.747 -5.266
562 H PHE 69 H PHE 69 10.338 -3.567 -4.997
563 HA PHE 69 HA PHE 69 10.015 -2.012 -7.291
564 1HB PHE 69 2HB PHE 69 8.151 -3.476 -8.376
565 2HB PHE 69 1HB PHE 69 9.829 -3.831 -8.724
566 HD1 PHE 69 HD2 PHE 69 8.393 -4.576 -5.409
567 HD2 PHE 69 HD1 PHE 69 9.380 -6.181 -9.269
568 HE1 PHE 69 HE2 PHE 69 8.128 -6.869 -4.523
569 HE2 PHE 69 HE1 PHE 69 9.112 -8.478 -8.379
570 HZ PHE 69 HZ PHE 69 8.485 -8.823 -6.005
571 H ARG 70 H ARG 70 6.989 -3.550 -7.000
572 HA ARG 70 HA ARG 70 6.276 -1.701 -4.752
573 1HB ARG 70 2HB ARG 70 5.725 -0.747 -6.930
574 2HB ARG 70 1HB ARG 70 4.842 -2.213 -7.361
575 1HG ARG 70 2HG ARG 70 3.888 -1.243 -4.810
576 2HG ARG 70 1HG ARG 70 3.811 0.062 -5.993
577 1HD ARG 70 2HD ARG 70 2.874 -2.636 -6.883
578 2HD ARG 70 1HD ARG 70 1.828 -1.723 -5.777
579 HE ARG 70 HE ARG 70 1.580 -0.035 -7.453
580 1HH1 ARG 70 1HH1 ARG 70 4.176 -0.221 -10.058
581 2HH1 ARG 70 2HH1 ARG 70 4.107 0.590 -8.530
582 1HH2 ARG 70 1HH2 ARG 70 1.574 -2.393 -9.323
583 2HH2 ARG 70 2HH2 ARG 70 2.742 -1.910 -10.508
584 H ALA 71 H ALA 71 4.578 -2.288 -3.444
585 HA ALA 71 HA ALA 71 3.616 -5.110 -3.641
586 1HB ALA 71 1HB ALA 71 4.794 -4.014 -1.568
587 2HB ALA 71 3HB ALA 71 3.256 -3.184 -1.335
588 3HB ALA 71 2HB ALA 71 3.324 -4.945 -1.285
589 H ASP 72 H ASP 72 1.975 -4.691 -5.239
590 HA ASP 72 HA ASP 72 0.197 -2.428 -5.120
591 1HB ASP 72 2HB ASP 72 0.912 -4.289 -6.954
592 2HB ASP 72 1HB ASP 72 -0.645 -4.947 -6.452
593 H ILE 73 H ILE 73 -0.453 -2.629 -2.786
594 HA ILE 73 HA ILE 73 -1.999 -4.873 -1.844
595 HB ILE 73 HB ILE 73 -1.011 -2.289 -0.966
596 1HG1 ILE 73 2HG1 ILE 73 -0.443 -4.581 -0.102
597 2HG1 ILE 73 1HG1 ILE 73 -0.879 -3.427 1.159
598 1HG2 ILE 73 3HG2 ILE 73 -3.848 -3.012 -0.191
599 2HG2 ILE 73 2HG2 ILE 73 -2.829 -1.955 0.786
600 3HG2 ILE 73 1HG2 ILE 73 -3.269 -1.484 -0.855
601 1HD1 ILE 73 1HD1 ILE 73 -3.271 -4.334 0.937
602 2HD1 ILE 73 3HD1 ILE 73 -2.563 -5.658 0.012
603 3HD1 ILE 73 2HD1 ILE 73 -2.089 -5.401 1.692
604 H SER 74 H SER 74 -3.843 -5.410 -2.948
605 HA SER 74 HA SER 74 -5.656 -3.247 -3.913
606 1HB SER 74 2HB SER 74 -4.655 -5.659 -4.951
607 2HB SER 74 1HB SER 74 -6.336 -6.013 -4.561
608 HG SER 74 HG SER 74 -6.888 -4.105 -5.747
609 H GLU 75 H GLU 75 -7.271 -2.752 -2.423
610 HA GLU 75 HA GLU 75 -8.741 -5.019 -1.151
611 1HB GLU 75 2HB GLU 75 -7.195 -2.791 0.166
612 2HB GLU 75 1HB GLU 75 -8.593 -3.485 0.986
613 1HG GLU 75 2HG GLU 75 -7.570 -5.531 1.297
614 2HG GLU 75 1HG GLU 75 -6.569 -5.370 -0.146
615 H ASP 76 H ASP 76 -10.809 -4.618 -1.893
616 HA ASP 76 HA ASP 76 -11.740 -1.869 -2.369
617 1HB ASP 76 2HB ASP 76 -12.815 -4.666 -2.642
618 2HB ASP 76 1HB ASP 76 -13.881 -3.278 -2.859
619 H TYR 77 H TYR 77 -14.540 -2.504 -1.383
620 HA TYR 77 HA TYR 77 -14.433 -3.037 1.451
621 1HB TYR 77 2HB TYR 77 -13.132 -0.835 1.040
622 2HB TYR 77 1HB TYR 77 -14.715 -0.114 0.760
623 HD1 TYR 77 HD2 TYR 77 -16.514 -1.205 2.651
624 HD2 TYR 77 HD1 TYR 77 -12.331 -0.370 3.168
625 HE1 TYR 77 HE2 TYR 77 -16.851 -1.030 5.101
626 HE2 TYR 77 HE1 TYR 77 -12.671 -0.193 5.618
627 HH TYR 77 HH TYR 77 -15.091 0.427 7.097
628 H LYS 78 H LYS 78 -16.140 -0.699 -0.701
629 HA LYS 78 HA LYS 78 -18.714 -1.129 0.518
630 1HB LYS 78 2HB LYS 78 -18.276 0.880 -0.727
631 2HB LYS 78 1HB LYS 78 -17.748 -0.037 -2.139
632 1HG LYS 78 2HG LYS 78 -20.019 0.813 -2.498
633 2HG LYS 78 1HG LYS 78 -20.045 -0.947 -2.384
634 1HD LYS 78 2HD LYS 78 -20.408 -0.391 0.207
635 2HD LYS 78 1HD LYS 78 -21.083 1.092 -0.468
636 1HE LYS 78 2HE LYS 78 -22.968 0.005 -1.096
637 2HE LYS 78 1HE LYS 78 -22.020 -1.226 -1.955
638 1HZ LYS 78 3HZ LYS 78 -21.447 -2.078 0.359
639 2HZ LYS 78 2HZ LYS 78 -22.752 -1.141 0.911
640 3HZ LYS 78 1HZ LYS 78 -23.014 -2.391 -0.209
641 H THR 79 H THR 79 -17.457 -2.147 -2.664
642 HA THR 79 HA THR 79 -19.544 -4.206 -2.931
643 HB THR 79 HB THR 79 -17.682 -4.634 -4.905
644 HG1 THR 79 HG1 THR 79 -16.285 -3.072 -4.545
645 1HG2 THR 79 2HG2 THR 79 -20.233 -3.779 -4.795
646 2HG2 THR 79 1HG2 THR 79 -19.452 -2.279 -5.294
647 3HG2 THR 79 3HG2 THR 79 -19.279 -3.733 -6.277
648 H ARG 80 H ARG 80 -16.819 -3.962 -1.095
649 HA ARG 80 HA ARG 80 -15.402 -5.517 -0.056
650 1HB ARG 80 2HB ARG 80 -17.536 -7.449 -1.026
651 2HB ARG 80 1HB ARG 80 -16.467 -7.670 0.360
652 1HG ARG 80 2HG ARG 80 -18.333 -5.303 0.168
653 2HG ARG 80 1HG ARG 80 -18.860 -6.842 0.849
654 1HD ARG 80 2HD ARG 80 -17.102 -6.749 2.545
655 2HD ARG 80 1HD ARG 80 -16.450 -5.265 1.822
656 HE ARG 80 HE ARG 80 -19.106 -4.645 2.241
657 1HH1 ARG 80 1HH2 ARG 80 -17.687 -6.741 4.389
658 2HH1 ARG 80 2HH2 ARG 80 -17.779 -5.697 5.768
659 1HH2 ARG 80 1HH1 ARG 80 -18.379 -3.534 5.509
660 2HH2 ARG 80 2HH1 ARG 80 -18.747 -2.920 3.932
661 H GLY 81 H GLY 81 -14.859 -4.855 -2.789
662 1HA GLY 81 2HA GLY 81 -14.443 -6.756 -4.693
663 2HA GLY 81 1HA GLY 81 -13.199 -5.570 -4.317
664 H ARG 82 H ARG 82 -11.496 -6.193 -2.772
665 HA ARG 82 HA ARG 82 -11.431 -9.043 -1.967
666 1HB ARG 82 2HB ARG 82 -9.982 -7.777 -4.230
667 2HB ARG 82 1HB ARG 82 -9.051 -8.896 -3.233
668 1HG ARG 82 2HG ARG 82 -10.100 -10.667 -4.130
669 2HG ARG 82 1HG ARG 82 -11.679 -9.970 -3.776
670 1HD ARG 82 2HD ARG 82 -10.943 -8.404 -5.873
671 2HD ARG 82 1HD ARG 82 -10.129 -9.920 -6.307
672 HE ARG 82 HE ARG 82 -12.879 -10.287 -5.368
673 1HH1 ARG 82 1HH2 ARG 82 -11.710 -12.194 -7.255
674 2HH1 ARG 82 2HH2 ARG 82 -12.390 -11.722 -8.778
675 1HH2 ARG 82 2HH1 ARG 82 -13.365 -8.585 -7.670
676 2HH2 ARG 82 1HH1 ARG 82 -13.328 -9.679 -9.012
677 H LYS 83 H LYS 83 -8.862 -9.346 -1.312
678 HA LYS 83 HA LYS 83 -7.849 -6.999 0.179
679 1HB LYS 83 2HB LYS 83 -8.810 -9.602 1.414
680 2HB LYS 83 1HB LYS 83 -7.854 -8.402 2.284
681 1HG LYS 83 2HG LYS 83 -9.733 -6.749 1.426
682 2HG LYS 83 1HG LYS 83 -10.685 -8.230 1.318
683 1HD LYS 83 2HD LYS 83 -9.249 -8.220 3.808
684 2HD LYS 83 1HD LYS 83 -10.127 -6.698 3.642
685 1HE LYS 83 2HE LYS 83 -12.224 -7.824 3.371
686 2HE LYS 83 1HE LYS 83 -11.427 -9.392 3.138
687 1HZ LYS 83 2HZ LYS 83 -10.379 -8.938 5.401
688 2HZ LYS 83 1HZ LYS 83 -11.588 -7.761 5.601
689 3HZ LYS 83 3HZ LYS 83 -12.017 -9.389 5.384
690 H LEU 84 H LEU 84 -5.908 -7.170 -1.042
691 HA LEU 84 HA LEU 84 -4.025 -9.247 -0.236
692 1HB LEU 84 2HB LEU 84 -5.815 -10.006 -2.121
693 2HB LEU 84 1HB LEU 84 -4.604 -9.262 -3.162
694 HG LEU 84 HG LEU 84 -2.879 -10.721 -2.317
695 1HD1 LEU 84 2HD1 LEU 84 -4.994 -11.456 -0.298
696 2HD1 LEU 84 1HD1 LEU 84 -3.673 -12.568 -0.659
697 3HD1 LEU 84 3HD1 LEU 84 -3.323 -10.964 -0.015
698 1HD2 LEU 84 1HD2 LEU 84 -5.206 -11.631 -3.657
699 2HD2 LEU 84 3HD2 LEU 84 -3.590 -12.334 -3.718
700 3HD2 LEU 84 2HD2 LEU 84 -4.752 -12.900 -2.519
701 H LEU 85 H LEU 85 -2.114 -9.063 -2.117
702 HA LEU 85 HA LEU 85 -1.854 -6.276 -3.022
703 1HB LEU 85 2HB LEU 85 -0.078 -5.719 -1.608
704 2HB LEU 85 1HB LEU 85 -1.100 -6.683 -0.546
705 HG LEU 85 HG LEU 85 1.395 -7.572 -2.010
706 1HD1 LEU 85 1HD1 LEU 85 0.808 -6.576 0.616
707 2HD1 LEU 85 3HD1 LEU 85 1.289 -8.267 0.756
708 3HD1 LEU 85 2HD1 LEU 85 2.360 -7.107 -0.030
709 1HD2 LEU 85 1HD2 LEU 85 -0.851 -9.135 -0.754
710 2HD2 LEU 85 3HD2 LEU 85 0.067 -9.491 -2.216
711 3HD2 LEU 85 2HD2 LEU 85 0.795 -9.753 -0.634
712 H ARG 86 H ARG 86 0.572 -6.124 -4.046
713 HA ARG 86 HA ARG 86 1.262 -8.733 -5.322
714 1HB ARG 86 2HB ARG 86 0.768 -6.216 -6.922
715 2HB ARG 86 1HB ARG 86 0.897 -7.872 -7.514
716 1HG ARG 86 2HG ARG 86 -1.163 -8.353 -6.023
717 2HG ARG 86 1HG ARG 86 -1.365 -6.601 -5.975
718 1HD ARG 86 2HD ARG 86 -1.140 -8.198 -8.551
719 2HD ARG 86 1HD ARG 86 -2.677 -7.685 -7.829
720 HE ARG 86 HE ARG 86 -1.705 -5.314 -7.953
721 1HH1 ARG 86 2HH1 ARG 86 0.799 -5.172 -8.976
722 2HH1 ARG 86 1HH1 ARG 86 0.680 -5.317 -10.698
723 1HH2 ARG 86 1HH2 ARG 86 -2.511 -6.672 -10.628
724 2HH2 ARG 86 2HH2 ARG 86 -1.196 -6.166 -11.633
725 H PHE 87 H PHE 87 3.445 -8.949 -5.361
726 HA PHE 87 HA PHE 87 5.174 -6.512 -5.119
727 1HB PHE 87 2HB PHE 87 6.034 -9.389 -4.814
728 2HB PHE 87 1HB PHE 87 6.721 -7.954 -4.060
729 HD1 PHE 87 HD1 PHE 87 3.791 -10.237 -4.060
730 HD2 PHE 87 HD2 PHE 87 5.890 -7.119 -1.979
731 HE1 PHE 87 HE1 PHE 87 2.360 -10.604 -2.074
732 HE2 PHE 87 HE2 PHE 87 4.456 -7.489 0.008
733 HZ PHE 87 HZ PHE 87 2.700 -9.225 -0.041
734 H ASN 88 H ASN 88 5.137 -5.994 -7.481
735 HA ASN 88 HA ASN 88 6.983 -7.777 -8.983
736 1HB ASN 88 2HB ASN 88 4.382 -7.028 -10.264
737 2HB ASN 88 1HB ASN 88 5.485 -8.340 -10.673
738 1HD2 ASN 88 2HD2 ASN 88 2.782 -8.875 -7.624
739 2HD2 ASN 88 1HD2 ASN 88 3.129 -7.306 -8.168
740 H GLY 89 H GLY 89 5.960 -6.485 -11.528
741 1HA GLY 89 2HA GLY 89 6.685 -4.649 -12.810
742 2HA GLY 89 1HA GLY 89 6.139 -3.672 -11.438
743 HA PRO 90 HA PRO 90 10.495 -4.818 -10.073
744 1HB PRO 90 2HB PRO 90 11.942 -6.619 -11.544
745 2HB PRO 90 1HB PRO 90 10.863 -7.080 -10.211
746 1HG PRO 90 2HG PRO 90 10.370 -7.143 -13.151
747 2HG PRO 90 1HG PRO 90 9.905 -8.312 -11.904
748 1HD PRO 90 2HD PRO 90 8.168 -6.508 -12.953
749 2HD PRO 90 1HD PRO 90 8.043 -7.115 -11.286
750 H VAL 91 HN VAL 91 12.615 -3.912 -10.692
751 HA VAL 91 HA VAL 91 12.487 -2.013 -12.847
752 HB VAL 91 HB VAL 91 14.878 -1.686 -12.103
753 1HG1 VAL 91 3HG1 VAL 91 12.563 -0.992 -10.863
754 2HG1 VAL 91 2HG1 VAL 91 13.360 -1.895 -9.574
755 3HG1 VAL 91 1HG1 VAL 91 14.157 -0.497 -10.293
756 1HG2 VAL 91 3HG2 VAL 91 14.602 -4.339 -11.279
757 2HG2 VAL 91 2HG2 VAL 91 15.954 -3.269 -10.906
758 3HG2 VAL 91 1HG2 VAL 91 14.605 -3.413 -9.778
No H/Q in entry = 758
Start of MODEL 7
1 1H GLY 1 1H GLY 1 -11.775 9.351 -7.720
2 2H GLY 1 3H GLY 1 -12.462 7.812 -7.919
3 3H GLY 1 2H GLY 1 -13.122 8.897 -6.790
4 1HA GLY 1 2HA GLY 1 -11.925 7.665 -5.345
5 2HA GLY 1 1HA GLY 1 -10.761 7.200 -6.586
6 H GLU 2 H GLU 2 -9.480 7.892 -4.433
7 HA GLU 2 HA GLU 2 -8.602 10.722 -4.894
8 1HB GLU 2 2HB GLU 2 -8.959 9.250 -2.261
9 2HB GLU 2 1HB GLU 2 -8.390 10.910 -2.438
10 1HG GLU 2 2HG GLU 2 -10.714 10.961 -3.901
11 2HG GLU 2 1HG GLU 2 -11.129 9.840 -2.604
12 H TRP 3 H TRP 3 -6.371 10.978 -3.603
13 HA TRP 3 HA TRP 3 -4.739 8.495 -3.990
14 1HB TRP 3 2HB TRP 3 -3.004 10.088 -4.957
15 2HB TRP 3 1HB TRP 3 -4.445 9.864 -5.947
16 HD1 TRP 3 HD1 TRP 3 -3.224 12.289 -3.183
17 HE1 TRP 3 HE1 TRP 3 -4.109 14.644 -3.742
18 HE3 TRP 3 HE3 TRP 3 -5.925 11.241 -7.390
19 HZ2 TRP 3 HZ2 TRP 3 -5.747 15.916 -5.714
20 HZ3 TRP 3 HZ3 TRP 3 -7.136 13.041 -8.586
21 HH2 TRP 3 HH2 TRP 3 -7.051 15.375 -7.755
22 H GLU 4 H GLU 4 -2.540 8.762 -2.897
23 HA GLU 4 HA GLU 4 -2.232 10.766 -0.801
24 1HB GLU 4 2HB GLU 4 -3.870 9.605 0.397
25 2HB GLU 4 1HB GLU 4 -3.418 8.052 -0.302
26 1HG GLU 4 2HG GLU 4 -2.716 8.086 2.021
27 2HG GLU 4 1HG GLU 4 -1.280 8.149 1.000
28 H ILE 5 H ILE 5 -0.011 10.990 -0.943
29 HA ILE 5 HA ILE 5 1.631 8.555 -1.411
30 HB ILE 5 HB ILE 5 3.154 10.117 -2.409
31 1HG1 ILE 5 2HG1 ILE 5 1.331 12.287 -1.352
32 2HG1 ILE 5 1HG1 ILE 5 2.924 11.896 -0.705
33 1HG2 ILE 5 3HG2 ILE 5 0.468 9.815 -3.242
34 2HG2 ILE 5 2HG2 ILE 5 0.911 11.495 -3.547
35 3HG2 ILE 5 1HG2 ILE 5 1.867 10.189 -4.249
36 1HD1 ILE 5 2HD1 ILE 5 3.710 12.249 -3.188
37 2HD1 ILE 5 1HD1 ILE 5 2.210 13.165 -3.332
38 3HD1 ILE 5 3HD1 ILE 5 3.432 13.651 -2.156
39 H ILE 6 H ILE 6 3.346 8.097 -0.037
40 HA ILE 6 HA ILE 6 3.938 9.950 2.233
41 HB ILE 6 HB ILE 6 4.004 7.707 3.593
42 1HG1 ILE 6 2HG1 ILE 6 3.620 6.435 1.345
43 2HG1 ILE 6 1HG1 ILE 6 2.758 5.886 2.779
44 1HG2 ILE 6 1HG2 ILE 6 1.570 9.239 2.715
45 2HG2 ILE 6 3HG2 ILE 6 1.408 7.883 3.830
46 3HG2 ILE 6 2HG2 ILE 6 2.402 9.270 4.271
47 1HD1 ILE 6 1HD1 ILE 6 1.296 7.976 1.356
48 2HD1 ILE 6 3HD1 ILE 6 1.604 6.570 0.338
49 3HD1 ILE 6 2HD1 ILE 6 0.751 6.380 1.869
50 H ASP 7 H ASP 7 5.975 8.648 3.472
51 HA ASP 7 HA ASP 7 7.667 6.995 1.941
52 1HB ASP 7 2HB ASP 7 9.243 8.927 1.146
53 2HB ASP 7 1HB ASP 7 7.798 8.568 0.204
54 H ILE 8 H ILE 8 7.089 7.669 4.723
55 HA ILE 8 HA ILE 8 9.700 7.303 5.825
56 HB ILE 8 HB ILE 8 9.681 9.732 4.882
57 1HG1 ILE 8 2HG1 ILE 8 11.156 10.450 6.696
58 2HG1 ILE 8 1HG1 ILE 8 10.473 9.221 7.762
59 1HG2 ILE 8 3HG2 ILE 8 7.425 9.979 6.370
60 2HG2 ILE 8 2HG2 ILE 8 8.626 10.570 7.517
61 3HG2 ILE 8 1HG2 ILE 8 8.459 11.341 5.940
62 1HD1 ILE 8 2HD1 ILE 8 11.576 8.326 5.130
63 2HD1 ILE 8 1HD1 ILE 8 12.722 8.767 6.397
64 3HD1 ILE 8 3HD1 ILE 8 11.546 7.482 6.678
65 H GLY 9 H GLY 9 6.570 6.879 6.254
66 1HA GLY 9 2HA GLY 9 6.853 6.696 9.167
67 2HA GLY 9 1HA GLY 9 5.648 7.860 8.635
68 HA PRO 10 HA PRO 10 2.694 4.729 8.138
69 1HB PRO 10 2HB PRO 10 1.544 5.149 5.694
70 2HB PRO 10 1HB PRO 10 1.306 6.226 7.084
71 1HG PRO 10 2HG PRO 10 3.046 6.561 4.708
72 2HG PRO 10 1HG PRO 10 2.152 7.773 5.635
73 1HD PRO 10 2HD PRO 10 4.860 7.311 5.848
74 2HD PRO 10 1HD PRO 10 3.867 8.087 7.097
75 H PHE 11 H PHE 11 3.172 4.679 4.657
76 HA PHE 11 HA PHE 11 3.158 1.937 4.302
77 1HB PHE 11 2HB PHE 11 4.374 4.263 2.876
78 2HB PHE 11 1HB PHE 11 4.762 2.642 2.297
79 HD1 PHE 11 HD2 PHE 11 1.649 4.012 3.851
80 HD2 PHE 11 HD1 PHE 11 3.448 2.254 0.368
81 HE1 PHE 11 HE2 PHE 11 -0.577 3.860 2.777
82 HE2 PHE 11 HE1 PHE 11 1.221 2.106 -0.704
83 HZ PHE 11 HZ PHE 11 -0.790 2.907 0.503
84 H THR 12 H THR 12 5.786 3.807 5.650
85 HA THR 12 HA THR 12 7.935 1.976 5.186
86 HB THR 12 HB THR 12 9.001 3.340 6.866
87 HG1 THR 12 HG1 THR 12 7.246 4.874 7.880
88 1HG2 THR 12 2HG2 THR 12 8.209 4.420 4.672
89 2HG2 THR 12 1HG2 THR 12 6.965 5.193 5.649
90 3HG2 THR 12 3HG2 THR 12 8.666 5.506 5.982
91 H GLN 13 H GLN 13 6.041 2.589 8.148
92 HA GLN 13 HA GLN 13 6.895 0.141 9.443
93 1HB GLN 13 2HB GLN 13 5.984 2.462 10.328
94 2HB GLN 13 1HB GLN 13 4.418 1.664 10.179
95 1HG GLN 13 2HG GLN 13 5.218 -0.187 11.598
96 2HG GLN 13 1HG GLN 13 6.788 0.603 11.747
97 1HE2 GLN 13 2HE2 GLN 13 5.191 1.801 14.762
98 2HE2 GLN 13 1HE2 GLN 13 6.102 0.497 14.169
99 H ASN 14 H ASN 14 4.410 0.950 7.212
100 HA ASN 14 HA ASN 14 2.645 -1.288 7.853
101 1HB ASN 14 2HB ASN 14 2.831 0.447 5.378
102 2HB ASN 14 1HB ASN 14 1.430 -0.490 5.898
103 1HD2 ASN 14 2HD2 ASN 14 1.445 1.860 8.943
104 2HD2 ASN 14 1HD2 ASN 14 1.995 0.261 8.801
105 H LEU 15 H LEU 15 4.825 -0.493 5.193
106 HA LEU 15 HA LEU 15 4.719 -2.779 3.623
107 1HB LEU 15 2HB LEU 15 6.122 -0.965 2.997
108 2HB LEU 15 1HB LEU 15 6.986 -0.999 4.533
109 HG LEU 15 HG LEU 15 7.054 -3.414 2.750
110 1HD1 LEU 15 2HD1 LEU 15 8.289 -0.764 2.242
111 2HD1 LEU 15 1HD1 LEU 15 9.363 -2.154 2.087
112 3HD1 LEU 15 3HD1 LEU 15 7.896 -2.059 1.113
113 1HD2 LEU 15 3HD2 LEU 15 8.534 -2.280 5.062
114 2HD2 LEU 15 2HD2 LEU 15 8.203 -3.964 4.653
115 3HD2 LEU 15 1HD2 LEU 15 9.516 -3.103 3.850
116 H GLY 16 H GLY 16 6.933 -2.321 6.410
117 1HA GLY 16 2HA GLY 16 7.995 -4.925 6.490
118 2HA GLY 16 1HA GLY 16 7.798 -3.906 7.918
119 H LYS 17 H LYS 17 5.183 -3.720 8.360
120 HA LYS 17 HA LYS 17 4.417 -6.325 9.325
121 1HB LYS 17 2HB LYS 17 3.600 -3.554 9.477
122 2HB LYS 17 1HB LYS 17 2.195 -4.608 9.316
123 1HG LYS 17 2HG LYS 17 2.641 -5.736 11.303
124 2HG LYS 17 1HG LYS 17 4.363 -5.358 11.249
125 1HD LYS 17 2HD LYS 17 3.892 -3.010 11.768
126 2HD LYS 17 1HD LYS 17 2.158 -3.340 11.763
127 1HE LYS 17 2HE LYS 17 4.179 -4.601 13.656
128 2HE LYS 17 1HE LYS 17 3.008 -3.336 14.082
129 1HZ LYS 17 1HZ LYS 17 1.281 -4.888 13.106
130 2HZ LYS 17 3HZ LYS 17 2.461 -6.103 13.179
131 3HZ LYS 17 2HZ LYS 17 1.939 -5.342 14.605
132 H PHE 18 H PHE 18 2.287 -4.311 7.421
133 HA PHE 18 HA PHE 18 0.534 -6.039 6.318
134 1HB PHE 18 2HB PHE 18 1.746 -3.537 5.582
135 2HB PHE 18 1HB PHE 18 1.399 -4.476 4.130
136 HD1 PHE 18 HD2 PHE 18 -0.181 -3.511 7.394
137 HD2 PHE 18 HD1 PHE 18 -0.757 -4.417 3.235
138 HE1 PHE 18 HE2 PHE 18 -2.588 -2.951 7.605
139 HE2 PHE 18 HE1 PHE 18 -3.164 -3.857 3.445
140 HZ PHE 18 HZ PHE 18 -4.079 -3.124 5.630
141 H ALA 19 H ALA 19 3.432 -5.302 4.437
142 HA ALA 19 HA ALA 19 3.334 -7.270 2.509
143 1HB ALA 19 3HB ALA 19 5.086 -5.456 2.976
144 2HB ALA 19 2HB ALA 19 5.850 -6.616 4.060
145 3HB ALA 19 1HB ALA 19 5.704 -6.980 2.341
146 H VAL 20 H VAL 20 5.365 -7.802 5.416
147 HA VAL 20 HA VAL 20 5.720 -10.542 5.237
148 HB VAL 20 HB VAL 20 5.239 -8.688 7.575
149 1HG1 VAL 20 1HG1 VAL 20 5.414 -11.632 7.545
150 2HG1 VAL 20 3HG1 VAL 20 6.558 -10.852 8.638
151 3HG1 VAL 20 2HG1 VAL 20 4.829 -10.553 8.811
152 1HG2 VAL 20 3HG2 VAL 20 7.615 -9.902 6.173
153 2HG2 VAL 20 2HG2 VAL 20 7.301 -8.207 6.544
154 3HG2 VAL 20 1HG2 VAL 20 7.756 -9.321 7.833
155 H ASP 21 H ASP 21 2.737 -8.862 6.010
156 HA ASP 21 HA ASP 21 1.415 -11.358 6.908
157 1HB ASP 21 2HB ASP 21 1.159 -8.884 7.777
158 2HB ASP 21 1HB ASP 21 0.071 -8.713 6.399
159 H GLU 22 H GLU 22 0.380 -8.853 4.539
160 HA GLU 22 HA GLU 22 -1.258 -10.663 3.079
161 1HB GLU 22 2HB GLU 22 0.139 -8.091 2.296
162 2HB GLU 22 1HB GLU 22 -1.103 -8.867 1.310
163 1HG GLU 22 2HG GLU 22 -1.434 -7.846 4.146
164 2HG GLU 22 1HG GLU 22 -2.132 -7.137 2.690
165 H GLU 23 H GLU 23 2.153 -9.875 2.786
166 HA GLU 23 HA GLU 23 2.626 -11.288 0.315
167 1HB GLU 23 2HB GLU 23 4.057 -9.561 1.684
168 2HB GLU 23 1HB GLU 23 4.639 -10.991 2.535
169 1HG GLU 23 2HG GLU 23 4.691 -11.598 -0.242
170 2HG GLU 23 1HG GLU 23 5.428 -10.009 -0.045
171 H ASN 24 H ASN 24 3.255 -12.231 3.726
172 HA ASN 24 HA ASN 24 3.846 -14.978 3.062
173 1HB ASN 24 2HB ASN 24 2.819 -13.622 5.583
174 2HB ASN 24 1HB ASN 24 3.406 -15.283 5.530
175 1HD2 ASN 24 2HD2 ASN 24 6.694 -14.164 6.067
176 2HD2 ASN 24 1HD2 ASN 24 5.476 -15.291 6.426
177 H LYS 25 H LYS 25 0.892 -13.282 4.105
178 HA LYS 25 HA LYS 25 -0.863 -15.504 4.196
179 1HB LYS 25 2HB LYS 25 -1.242 -13.120 4.945
180 2HB LYS 25 1HB LYS 25 -1.468 -12.696 3.248
181 1HG LYS 25 2HG LYS 25 -3.568 -13.520 3.228
182 2HG LYS 25 1HG LYS 25 -3.058 -15.020 4.006
183 1HD LYS 25 2HD LYS 25 -2.990 -13.764 6.195
184 2HD LYS 25 1HD LYS 25 -3.728 -12.396 5.361
185 1HE LYS 25 2HE LYS 25 -5.016 -15.109 5.148
186 2HE LYS 25 1HE LYS 25 -5.292 -14.113 6.592
187 1HZ LYS 25 3HZ LYS 25 -5.567 -13.094 3.818
188 2HZ LYS 25 2HZ LYS 25 -6.876 -13.676 4.730
189 3HZ LYS 25 1HZ LYS 25 -6.016 -12.306 5.250
190 H ILE 26 H ILE 26 -0.052 -13.367 1.488
191 HA ILE 26 HA ILE 26 -1.736 -14.655 -0.441
192 HB ILE 26 HB ILE 26 -0.457 -12.366 -0.461
193 1HG1 ILE 26 2HG1 ILE 26 -0.626 -12.285 -2.884
194 2HG1 ILE 26 1HG1 ILE 26 -0.572 -14.046 -2.976
195 1HG2 ILE 26 1HG2 ILE 26 1.731 -14.125 -0.668
196 2HG2 ILE 26 3HG2 ILE 26 1.527 -13.435 -2.275
197 3HG2 ILE 26 2HG2 ILE 26 1.753 -12.379 -0.884
198 1HD1 ILE 26 2HD1 ILE 26 -2.690 -12.659 -1.344
199 2HD1 ILE 26 1HD1 ILE 26 -2.895 -12.886 -3.081
200 3HD1 ILE 26 3HD1 ILE 26 -2.711 -14.286 -2.024
201 H GLY 27 H GLY 27 1.233 -15.598 0.989
202 1HA GLY 27 2HA GLY 27 1.864 -17.990 0.703
203 2HA GLY 27 1HA GLY 27 1.459 -17.819 -1.005
204 H GLN 28 H GLN 28 3.272 -15.489 0.951
205 HA GLN 28 HA GLN 28 5.756 -16.207 -0.551
206 1HB GLN 28 2HB GLN 28 4.025 -13.939 -0.920
207 2HB GLN 28 1HB GLN 28 5.580 -13.376 -0.306
208 1HG GLN 28 2HG GLN 28 6.531 -13.717 -2.314
209 2HG GLN 28 1HG GLN 28 6.043 -15.412 -2.280
210 1HE2 GLN 28 2HE2 GLN 28 3.668 -14.895 -4.813
211 2HE2 GLN 28 1HE2 GLN 28 4.770 -15.939 -4.053
212 H TYR 29 H TYR 29 6.034 -17.113 1.773
213 HA TYR 29 HA TYR 29 6.876 -14.960 3.677
214 1HB TYR 29 2HB TYR 29 6.457 -16.615 5.390
215 2HB TYR 29 1HB TYR 29 5.087 -16.656 4.281
216 HD1 TYR 29 HD1 TYR 29 4.829 -18.493 2.654
217 HD2 TYR 29 HD2 TYR 29 8.043 -18.448 5.504
218 HE1 TYR 29 HE1 TYR 29 5.264 -20.891 2.200
219 HE2 TYR 29 HE2 TYR 29 8.478 -20.847 5.050
220 HH TYR 29 HH TYR 29 8.033 -22.560 3.638
221 H GLY 30 H GLY 30 8.484 -16.004 1.373
222 1HA GLY 30 2HA GLY 30 10.424 -17.884 1.922
223 2HA GLY 30 1HA GLY 30 10.801 -16.377 1.087
224 H ARG 31 H ARG 31 10.491 -14.489 3.062
225 HA ARG 31 HA ARG 31 11.951 -15.344 5.482
226 1HB ARG 31 2HB ARG 31 13.134 -13.609 3.294
227 2HB ARG 31 1HB ARG 31 13.818 -13.717 4.916
228 1HG ARG 31 2HG ARG 31 13.926 -16.229 4.594
229 2HG ARG 31 1HG ARG 31 13.501 -15.958 2.904
230 1HD ARG 31 2HD ARG 31 15.511 -14.727 2.488
231 2HD ARG 31 1HD ARG 31 15.863 -14.585 4.223
232 HE ARG 31 HE ARG 31 16.074 -17.093 2.629
233 1HH1 ARG 31 1HH2 ARG 31 15.805 -18.690 4.594
234 2HH1 ARG 31 2HH2 ARG 31 17.018 -18.428 5.802
235 1HH2 ARG 31 2HH1 ARG 31 17.904 -15.294 4.611
236 2HH2 ARG 31 1HH1 ARG 31 18.207 -16.505 5.812
237 H LEU 32 H LEU 32 12.218 -12.139 4.087
238 HA LEU 32 HA LEU 32 10.003 -11.137 5.821
239 1HB LEU 32 2HB LEU 32 11.743 -9.279 6.427
240 2HB LEU 32 1HB LEU 32 11.859 -10.839 7.241
241 HG LEU 32 HG LEU 32 13.532 -11.555 5.517
242 1HD1 LEU 32 1HD1 LEU 32 12.803 -8.883 4.469
243 2HD1 LEU 32 3HD1 LEU 32 14.528 -9.253 4.457
244 3HD1 LEU 32 2HD1 LEU 32 13.394 -10.306 3.612
245 1HD2 LEU 32 3HD2 LEU 32 14.027 -10.337 7.782
246 2HD2 LEU 32 2HD2 LEU 32 15.331 -10.513 6.608
247 3HD2 LEU 32 1HD2 LEU 32 14.478 -8.977 6.754
248 H THR 33 H THR 33 9.160 -9.085 5.089
249 HA THR 33 HA THR 33 9.920 -8.434 2.269
250 HB THR 33 HB THR 33 7.487 -7.235 2.867
251 HG1 THR 33 HG1 THR 33 7.305 -9.818 3.921
252 1HG2 THR 33 2HG2 THR 33 8.245 -9.891 1.657
253 2HG2 THR 33 1HG2 THR 33 6.566 -9.354 1.714
254 3HG2 THR 33 3HG2 THR 33 7.766 -8.408 0.832
255 H PHE 34 H PHE 34 11.678 -7.286 3.972
256 HA PHE 34 HA PHE 34 11.325 -4.464 3.562
257 1HB PHE 34 2HB PHE 34 10.702 -3.738 5.733
258 2HB PHE 34 1HB PHE 34 9.656 -5.123 5.429
259 HD1 PHE 34 HD1 PHE 34 10.705 -7.474 6.146
260 HD2 PHE 34 HD2 PHE 34 11.875 -3.660 7.741
261 HE1 PHE 34 HE1 PHE 34 11.617 -8.595 8.162
262 HE2 PHE 34 HE2 PHE 34 12.786 -4.782 9.756
263 HZ PHE 34 HZ PHE 34 12.657 -7.250 9.967
264 H ASN 35 H ASN 35 13.442 -3.901 3.252
265 HA ASN 35 HA ASN 35 15.451 -4.551 5.312
266 1HB ASN 35 2HB ASN 35 15.329 -6.552 3.864
267 2HB ASN 35 1HB ASN 35 15.642 -5.544 2.450
268 1HD2 ASN 35 2HD2 ASN 35 19.091 -6.100 2.908
269 2HD2 ASN 35 1HD2 ASN 35 17.759 -6.143 1.857
270 H LYS 36 H LYS 36 15.276 -3.477 1.878
271 HA LYS 36 HA LYS 36 17.454 -1.614 2.159
272 1HB LYS 36 2HB LYS 36 15.433 -2.430 0.165
273 2HB LYS 36 1HB LYS 36 16.052 -0.789 -0.035
274 1HG LYS 36 2HG LYS 36 18.113 -2.814 0.567
275 2HG LYS 36 1HG LYS 36 17.304 -3.028 -0.986
276 1HD LYS 36 2HD LYS 36 17.737 -0.558 -1.419
277 2HD LYS 36 1HD LYS 36 18.782 -0.579 0.003
278 1HE LYS 36 2HE LYS 36 19.444 -2.829 -1.676
279 2HE LYS 36 1HE LYS 36 19.485 -1.337 -2.638
280 1HZ LYS 36 2HZ LYS 36 20.644 -1.470 0.081
281 2HZ LYS 36 1HZ LYS 36 21.557 -1.889 -1.291
282 3HZ LYS 36 3HZ LYS 36 20.934 -0.319 -1.134
283 H VAL 37 H VAL 37 14.552 -0.179 0.823
284 HA VAL 37 HA VAL 37 13.974 1.396 3.253
285 HB VAL 37 HB VAL 37 15.550 2.359 0.877
286 1HG1 VAL 37 3HG1 VAL 37 13.971 4.104 2.792
287 2HG1 VAL 37 2HG1 VAL 37 15.129 4.685 1.596
288 3HG1 VAL 37 1HG1 VAL 37 13.639 3.902 1.072
289 1HG2 VAL 37 2HG2 VAL 37 15.801 2.385 3.875
290 2HG2 VAL 37 1HG2 VAL 37 16.957 1.815 2.671
291 3HG2 VAL 37 3HG2 VAL 37 16.704 3.545 2.900
292 H ILE 38 H ILE 38 12.350 3.205 2.675
293 HA ILE 38 HA ILE 38 10.578 2.382 0.392
294 HB ILE 38 HB ILE 38 9.505 1.572 2.329
295 1HG1 ILE 38 2HG1 ILE 38 8.155 3.281 0.943
296 2HG1 ILE 38 1HG1 ILE 38 7.535 2.865 2.535
297 1HG2 ILE 38 1HG2 ILE 38 10.458 4.097 3.700
298 2HG2 ILE 38 3HG2 ILE 38 9.341 2.948 4.434
299 3HG2 ILE 38 2HG2 ILE 38 10.979 2.443 4.021
300 1HD1 ILE 38 1HD1 ILE 38 9.189 5.000 3.102
301 2HD1 ILE 38 3HD1 ILE 38 8.551 5.431 1.520
302 3HD1 ILE 38 2HD1 ILE 38 7.449 5.109 2.857
303 H ARG 39 H ARG 39 10.394 4.053 -1.017
304 HA ARG 39 HA ARG 39 10.398 6.827 0.094
305 1HB ARG 39 2HB ARG 39 12.477 6.889 -0.839
306 2HB ARG 39 1HB ARG 39 12.165 5.501 -1.872
307 1HG ARG 39 2HG ARG 39 11.155 6.825 -3.546
308 2HG ARG 39 1HG ARG 39 10.866 8.164 -2.436
309 1HD ARG 39 2HD ARG 39 13.669 7.251 -3.137
310 2HD ARG 39 1HD ARG 39 12.811 8.491 -4.075
311 HE ARG 39 HE ARG 39 12.569 9.115 -1.297
312 1HH1 ARG 39 1HH2 ARG 39 14.514 9.429 -4.096
313 2HH1 ARG 39 2HH2 ARG 39 15.677 10.473 -3.349
314 1HH2 ARG 39 2HH1 ARG 39 14.227 10.273 -0.205
315 2HH2 ARG 39 1HH1 ARG 39 15.514 10.951 -1.144
316 HA PRO 40 HA PRO 40 7.665 6.943 -3.687
317 1HB PRO 40 2HB PRO 40 7.708 4.952 -5.565
318 2HB PRO 40 1HB PRO 40 8.835 6.321 -5.568
319 1HG PRO 40 2HG PRO 40 9.332 3.519 -4.931
320 2HG PRO 40 1HG PRO 40 10.472 4.801 -5.339
321 1HD PRO 40 2HD PRO 40 9.845 3.749 -2.741
322 2HD PRO 40 1HD PRO 40 11.027 4.999 -3.174
323 H CYS 41 H CYS 41 7.020 5.591 -1.321
324 HA CYS 41 HA CYS 41 5.220 3.340 -1.963
325 1HB CYS 41 2HB CYS 41 4.779 3.499 0.503
326 2HB CYS 41 1HB CYS 41 6.495 3.373 0.125
327 HG CYS 41 HG CYS 41 6.774 5.893 0.630
328 H MET 42 H MET 42 3.875 4.690 -3.496
329 HA MET 42 HA MET 42 2.293 6.897 -2.383
330 1HB MET 42 2HB MET 42 2.931 5.663 -4.939
331 2HB MET 42 1HB MET 42 1.207 6.016 -4.817
332 1HG MET 42 2HG MET 42 2.025 8.330 -3.885
333 2HG MET 42 1HG MET 42 3.537 7.910 -4.692
334 1HE MET 42 2HE MET 42 -0.132 8.379 -4.798
335 2HE MET 42 1HE MET 42 -0.599 8.619 -6.480
336 3HE MET 42 3HE MET 42 -0.249 6.992 -5.878
337 H LYS 43 H LYS 43 -0.114 6.818 -2.417
338 HA LYS 43 HA LYS 43 -1.262 4.079 -2.091
339 1HB LYS 43 2HB LYS 43 -0.612 4.988 0.117
340 2HB LYS 43 1HB LYS 43 -1.564 6.436 -0.200
341 1HG LYS 43 2HG LYS 43 -3.481 4.635 -0.647
342 2HG LYS 43 1HG LYS 43 -2.487 3.671 0.444
343 1HD LYS 43 2HD LYS 43 -3.560 4.756 2.117
344 2HD LYS 43 1HD LYS 43 -2.544 6.136 1.696
345 1HE LYS 43 2HE LYS 43 -4.644 7.125 1.504
346 2HE LYS 43 1HE LYS 43 -4.472 6.492 -0.145
347 1HZ LYS 43 3HZ LYS 43 -5.505 4.752 1.993
348 2HZ LYS 43 2HZ LYS 43 -6.553 5.854 1.235
349 3HZ LYS 43 1HZ LYS 43 -5.765 4.659 0.320
350 H LYS 44 H LYS 44 -3.371 3.918 -2.874
351 HA LYS 44 HA LYS 44 -4.809 6.438 -3.567
352 1HB LYS 44 2HB LYS 44 -3.346 5.514 -5.457
353 2HB LYS 44 1HB LYS 44 -4.440 4.130 -5.494
354 1HG LYS 44 2HG LYS 44 -6.352 5.738 -5.802
355 2HG LYS 44 1HG LYS 44 -5.165 7.034 -5.962
356 1HD LYS 44 2HD LYS 44 -4.688 4.650 -7.658
357 2HD LYS 44 1HD LYS 44 -6.110 5.606 -8.073
358 1HE LYS 44 2HE LYS 44 -3.720 7.238 -7.495
359 2HE LYS 44 1HE LYS 44 -3.566 6.199 -8.927
360 1HZ LYS 44 1HZ LYS 44 -6.004 6.997 -9.328
361 2HZ LYS 44 3HZ LYS 44 -5.527 8.314 -8.372
362 3HZ LYS 44 2HZ LYS 44 -4.696 7.968 -9.812
363 H THR 45 H THR 45 -6.930 6.244 -2.968
364 HA THR 45 HA THR 45 -8.021 3.486 -2.518
365 HB THR 45 HB THR 45 -8.274 6.153 -1.151
366 HG1 THR 45 HG1 THR 45 -8.369 3.853 0.303
367 1HG2 THR 45 2HG2 THR 45 -10.392 4.087 -1.429
368 2HG2 THR 45 1HG2 THR 45 -10.172 4.789 0.164
369 3HG2 THR 45 3HG2 THR 45 -10.554 5.816 -1.216
370 H ILE 46 H ILE 46 -10.366 3.240 -2.993
371 HA ILE 46 HA ILE 46 -11.414 5.262 -4.942
372 HB ILE 46 HB ILE 46 -10.453 3.272 -6.087
373 1HG1 ILE 46 2HG1 ILE 46 -13.303 2.663 -6.419
374 2HG1 ILE 46 1HG1 ILE 46 -12.967 4.395 -6.437
375 1HG2 ILE 46 3HG2 ILE 46 -11.525 1.939 -3.850
376 2HG2 ILE 46 2HG2 ILE 46 -12.470 1.376 -5.229
377 3HG2 ILE 46 1HG2 ILE 46 -10.714 1.202 -5.232
378 1HD1 ILE 46 3HD1 ILE 46 -10.921 3.199 -7.969
379 2HD1 ILE 46 2HD1 ILE 46 -12.422 2.429 -8.482
380 3HD1 ILE 46 1HD1 ILE 46 -12.258 4.183 -8.561
381 H TYR 47 H TYR 47 -12.618 5.983 -3.018
382 HA TYR 47 HA TYR 47 -14.305 4.228 -1.514
383 1HB TYR 47 2HB TYR 47 -14.757 7.162 -2.015
384 2HB TYR 47 1HB TYR 47 -15.179 6.238 -0.583
385 HD1 TYR 47 HD2 TYR 47 -13.353 5.378 0.924
386 HD2 TYR 47 HD1 TYR 47 -12.599 8.138 -2.280
387 HE1 TYR 47 HE2 TYR 47 -11.195 6.002 1.971
388 HE2 TYR 47 HE1 TYR 47 -10.443 8.768 -1.229
389 HH TYR 47 HH TYR 47 -9.657 8.443 1.689
390 H GLU 48 H GLU 48 -16.779 5.390 -1.503
391 HA GLU 48 HA GLU 48 -18.124 4.170 -3.739
392 1HB GLU 48 2HB GLU 48 -19.136 4.406 -1.544
393 2HB GLU 48 1HB GLU 48 -18.974 6.161 -1.622
394 1HG GLU 48 2HG GLU 48 -21.161 5.984 -2.322
395 2HG GLU 48 1HG GLU 48 -20.364 5.795 -3.884
396 H ASN 49 H ASN 49 -19.247 7.384 -3.108
397 HA ASN 49 HA ASN 49 -18.185 8.240 -5.791
398 1HB ASN 49 2HB ASN 49 -20.934 8.154 -4.613
399 2HB ASN 49 1HB ASN 49 -20.548 9.492 -5.696
400 1HD2 ASN 49 2HD2 ASN 49 -19.712 7.023 -8.379
401 2HD2 ASN 49 1HD2 ASN 49 -18.851 8.232 -7.556
402 H GLU 50 H GLU 50 -20.231 9.888 -3.434
403 HA GLU 50 HA GLU 50 -17.997 11.671 -2.629
404 1HB GLU 50 2HB GLU 50 -19.752 12.268 -4.724
405 2HB GLU 50 1HB GLU 50 -20.420 13.144 -3.346
406 1HG GLU 50 2HG GLU 50 -17.795 13.714 -3.018
407 2HG GLU 50 1HG GLU 50 -17.847 13.541 -4.772
408 H ARG 51 H ARG 51 -20.098 9.622 -1.578
409 HA ARG 51 HA ARG 51 -20.857 11.258 0.804
410 1HB ARG 51 2HB ARG 51 -22.675 11.225 -0.954
411 2HB ARG 51 1HB ARG 51 -22.774 9.479 -0.726
412 1HG ARG 51 2HG ARG 51 -23.684 9.665 1.392
413 2HG ARG 51 1HG ARG 51 -22.916 11.224 1.699
414 1HD ARG 51 2HD ARG 51 -24.543 12.410 0.477
415 2HD ARG 51 1HD ARG 51 -25.053 10.966 -0.421
416 HE ARG 51 HE ARG 51 -25.829 10.099 1.887
417 1HH1 ARG 51 1HH2 ARG 51 -25.605 11.773 3.945
418 2HH1 ARG 51 2HH2 ARG 51 -26.809 13.009 3.799
419 1HH2 ARG 51 2HH1 ARG 51 -27.396 12.410 0.434
420 2HH2 ARG 51 1HH1 ARG 51 -27.824 13.369 1.811
421 H GLU 52 H GLU 52 -20.355 8.071 -0.675
422 HA GLU 52 HA GLU 52 -20.324 6.896 2.090
423 1HB GLU 52 2HB GLU 52 -20.627 5.254 -0.399
424 2HB GLU 52 1HB GLU 52 -21.291 4.973 1.207
425 1HG GLU 52 2HG GLU 52 -22.197 7.185 -0.651
426 2HG GLU 52 1HG GLU 52 -23.020 5.637 -0.469
427 H ILE 53 H ILE 53 -19.156 4.494 1.339
428 HA ILE 53 HA ILE 53 -16.411 5.303 0.435
429 HB ILE 53 HB ILE 53 -17.000 4.857 2.968
430 1HG1 ILE 53 2HG1 ILE 53 -14.699 3.426 2.950
431 2HG1 ILE 53 1HG1 ILE 53 -14.657 4.098 1.320
432 1HG2 ILE 53 2HG2 ILE 53 -16.684 2.048 1.872
433 2HG2 ILE 53 1HG2 ILE 53 -16.678 2.475 3.583
434 3HG2 ILE 53 3HG2 ILE 53 -18.136 2.715 2.619
435 1HD1 ILE 53 2HD1 ILE 53 -15.284 5.852 3.688
436 2HD1 ILE 53 1HD1 ILE 53 -13.614 5.495 3.251
437 3HD1 ILE 53 3HD1 ILE 53 -14.669 6.318 2.102
438 H LYS 54 H LYS 54 -15.156 3.266 -0.314
439 HA LYS 54 HA LYS 54 -16.861 1.029 -1.206
440 1HB LYS 54 2HB LYS 54 -17.052 3.046 -2.773
441 2HB LYS 54 1HB LYS 54 -15.408 2.655 -3.273
442 1HG LYS 54 2HG LYS 54 -16.075 0.456 -3.995
443 2HG LYS 54 1HG LYS 54 -17.681 0.656 -3.295
444 1HD LYS 54 2HD LYS 54 -18.272 2.332 -4.902
445 2HD LYS 54 1HD LYS 54 -16.606 2.467 -5.469
446 1HE LYS 54 2HE LYS 54 -17.170 -0.243 -5.788
447 2HE LYS 54 1HE LYS 54 -18.674 0.563 -6.277
448 1HZ LYS 54 2HZ LYS 54 -15.995 1.487 -7.150
449 2HZ LYS 54 1HZ LYS 54 -16.924 0.391 -8.057
450 3HZ LYS 54 3HZ LYS 54 -17.508 1.955 -7.763
451 H GLY 55 H GLY 55 -13.539 2.485 -1.791
452 1HA GLY 55 2HA GLY 55 -12.547 -0.281 -1.247
453 2HA GLY 55 1HA GLY 55 -12.104 0.475 -2.774
454 H TYR 56 H TYR 56 -10.071 -0.277 -1.231
455 HA TYR 56 HA TYR 56 -8.762 2.263 -0.569
456 1HB TYR 56 2HB TYR 56 -9.891 1.927 1.508
457 2HB TYR 56 1HB TYR 56 -9.571 0.193 1.485
458 HD1 TYR 56 HD1 TYR 56 -6.975 2.571 0.454
459 HD2 TYR 56 HD2 TYR 56 -8.533 0.260 3.722
460 HE1 TYR 56 HE1 TYR 56 -4.875 2.944 1.717
461 HE2 TYR 56 HE2 TYR 56 -6.431 0.632 4.985
462 HH TYR 56 HH TYR 56 -3.921 1.168 4.260
463 H GLU 57 H GLU 57 -7.270 1.537 -2.215
464 HA GLU 57 HA GLU 57 -5.606 -0.834 -1.408
465 1HB GLU 57 2HB GLU 57 -5.902 0.160 -4.238
466 2HB GLU 57 1HB GLU 57 -5.530 -1.467 -3.674
467 1HG GLU 57 2HG GLU 57 -7.830 -1.733 -2.854
468 2HG GLU 57 1HG GLU 57 -8.209 -0.083 -3.342
469 H TYR 58 H TYR 58 -3.369 -0.586 -2.755
470 HA TYR 58 HA TYR 58 -2.534 2.194 -3.144
471 1HB TYR 58 2HB TYR 58 -1.167 2.469 -1.245
472 2HB TYR 58 1HB TYR 58 -2.654 1.777 -0.618
473 HD1 TYR 58 HD1 TYR 58 0.674 0.506 -2.022
474 HD2 TYR 58 HD2 TYR 58 -2.425 0.122 0.938
475 HE1 TYR 58 HE1 TYR 58 1.914 -1.330 -0.929
476 HE2 TYR 58 HE2 TYR 58 -1.167 -1.707 2.024
477 HH TYR 58 HH TYR 58 1.797 -2.263 1.822
478 H GLN 59 H GLN 59 -0.219 2.416 -3.560
479 HA GLN 59 HA GLN 59 1.009 -0.071 -4.697
480 1HB GLN 59 2HB GLN 59 1.385 2.783 -5.662
481 2HB GLN 59 1HB GLN 59 1.773 1.292 -6.523
482 1HG GLN 59 2HG GLN 59 -0.583 0.744 -6.745
483 2HG GLN 59 1HG GLN 59 -1.036 2.124 -5.744
484 1HE2 GLN 59 2HE2 GLN 59 -1.123 2.910 -9.506
485 2HE2 GLN 59 1HE2 GLN 59 -1.668 1.539 -8.667
486 H LEU 60 H LEU 60 2.581 -0.531 -3.159
487 HA LEU 60 HA LEU 60 4.022 1.713 -1.844
488 1HB LEU 60 2HB LEU 60 3.093 0.057 -0.369
489 2HB LEU 60 1HB LEU 60 3.740 -1.262 -1.341
490 HG LEU 60 HG LEU 60 6.030 0.117 -0.753
491 1HD1 LEU 60 3HD1 LEU 60 4.026 0.572 1.445
492 2HD1 LEU 60 2HD1 LEU 60 5.742 0.415 1.822
493 3HD1 LEU 60 1HD1 LEU 60 5.190 1.702 0.752
494 1HD2 LEU 60 1HD2 LEU 60 4.591 -2.185 0.526
495 2HD2 LEU 60 3HD2 LEU 60 6.084 -2.187 -0.412
496 3HD2 LEU 60 2HD2 LEU 60 6.091 -1.609 1.253
497 H TYR 61 H TYR 61 5.022 2.037 -4.068
498 HA TYR 61 HA TYR 61 6.902 0.090 -5.073
499 1HB TYR 61 2HB TYR 61 5.913 1.619 -6.555
500 2HB TYR 61 1HB TYR 61 6.231 2.985 -5.491
501 HD1 TYR 61 HD1 TYR 61 8.835 0.458 -5.932
502 HD2 TYR 61 HD2 TYR 61 7.317 4.205 -7.386
503 HE1 TYR 61 HE1 TYR 61 10.979 0.872 -7.108
504 HE2 TYR 61 HE2 TYR 61 9.461 4.618 -8.560
505 HH TYR 61 HH TYR 61 11.430 2.781 -9.488
506 H VAL 62 H VAL 62 8.637 -0.456 -3.849
507 HA VAL 62 HA VAL 62 10.514 1.626 -2.894
508 HB VAL 62 HB VAL 62 10.327 0.887 -0.572
509 1HG1 VAL 62 1HG1 VAL 62 8.715 2.636 -1.429
510 2HG1 VAL 62 3HG1 VAL 62 7.524 1.350 -1.619
511 3HG1 VAL 62 2HG1 VAL 62 8.143 1.742 -0.021
512 1HG2 VAL 62 1HG2 VAL 62 8.437 -1.118 -1.782
513 2HG2 VAL 62 3HG2 VAL 62 9.822 -1.401 -0.729
514 3HG2 VAL 62 2HG2 VAL 62 8.344 -0.699 -0.071
515 H TYR 63 H TYR 63 12.013 -0.001 -1.238
516 HA TYR 63 HA TYR 63 12.482 -2.509 -2.775
517 1HB TYR 63 2HB TYR 63 13.963 -0.697 -3.631
518 2HB TYR 63 1HB TYR 63 14.612 -0.492 -2.004
519 HD1 TYR 63 HD2 TYR 63 13.654 -3.881 -2.925
520 HD2 TYR 63 HD1 TYR 63 16.868 -1.030 -3.008
521 HE1 TYR 63 HE2 TYR 63 15.266 -5.712 -3.342
522 HE2 TYR 63 HE1 TYR 63 18.482 -2.867 -3.427
523 HH TYR 63 HH TYR 63 17.847 -6.025 -2.890
524 H ALA 64 H ALA 64 12.665 -4.173 -1.369
525 HA ALA 64 HA ALA 64 13.496 -3.564 1.443
526 1HB ALA 64 3HB ALA 64 11.511 -5.557 0.319
527 2HB ALA 64 2HB ALA 64 11.894 -5.368 2.030
528 3HB ALA 64 1HB ALA 64 11.107 -4.056 1.151
529 H SER 65 H SER 65 13.084 -6.724 1.516
530 HA SER 65 HA SER 65 15.912 -7.320 0.781
531 1HB SER 65 2HB SER 65 15.740 -8.276 2.833
532 2HB SER 65 1HB SER 65 13.990 -8.079 2.836
533 HG SER 65 HG SER 65 13.833 -9.981 1.625
534 H ASP 66 H ASP 66 12.648 -7.876 -0.192
535 HA ASP 66 HA ASP 66 13.564 -9.594 -2.432
536 1HB ASP 66 2HB ASP 66 13.042 -11.163 -0.637
537 2HB ASP 66 1HB ASP 66 11.495 -10.364 -0.346
538 H LYS 67 H LYS 67 12.580 -6.882 -2.301
539 HA LYS 67 HA LYS 67 10.191 -7.136 -4.061
540 1HB LYS 67 2HB LYS 67 9.038 -6.844 -2.079
541 2HB LYS 67 1HB LYS 67 10.359 -5.962 -1.321
542 1HG LYS 67 2HG LYS 67 9.275 -4.531 -3.626
543 2HG LYS 67 1HG LYS 67 8.052 -4.838 -2.396
544 1HD LYS 67 2HD LYS 67 10.720 -3.888 -1.465
545 2HD LYS 67 1HD LYS 67 9.668 -2.714 -2.254
546 1HE LYS 67 2HE LYS 67 9.409 -2.897 0.290
547 2HE LYS 67 1HE LYS 67 7.910 -3.088 -0.639
548 1HZ LYS 67 3HZ LYS 67 9.661 -5.317 0.258
549 2HZ LYS 67 2HZ LYS 67 8.204 -4.868 1.003
550 3HZ LYS 67 1HZ LYS 67 8.196 -5.476 -0.581
551 H LEU 68 H LEU 68 11.694 -6.385 -5.665
552 HA LEU 68 HA LEU 68 12.944 -3.712 -5.339
553 1HB LEU 68 2HB LEU 68 13.147 -6.086 -7.114
554 2HB LEU 68 1HB LEU 68 13.467 -4.531 -7.883
555 HG LEU 68 HG LEU 68 14.794 -5.471 -5.323
556 1HD1 LEU 68 3HD1 LEU 68 15.799 -5.432 -8.185
557 2HD1 LEU 68 2HD1 LEU 68 16.809 -5.738 -6.773
558 3HD1 LEU 68 1HD1 LEU 68 15.519 -6.863 -7.194
559 1HD2 LEU 68 2HD2 LEU 68 14.471 -2.914 -6.307
560 2HD2 LEU 68 1HD2 LEU 68 15.779 -3.424 -5.239
561 3HD2 LEU 68 3HD2 LEU 68 16.032 -3.379 -6.984
562 H PHE 69 H PHE 69 10.335 -3.166 -5.197
563 HA PHE 69 HA PHE 69 9.724 -1.489 -7.359
564 1HB PHE 69 2HB PHE 69 7.907 -3.090 -8.381
565 2HB PHE 69 1HB PHE 69 9.573 -3.241 -8.877
566 HD1 PHE 69 HD2 PHE 69 7.782 -4.404 -5.782
567 HD2 PHE 69 HD1 PHE 69 10.075 -5.479 -9.252
568 HE1 PHE 69 HE2 PHE 69 7.847 -6.754 -5.008
569 HE2 PHE 69 HE1 PHE 69 10.143 -7.832 -8.474
570 HZ PHE 69 HZ PHE 69 9.029 -8.470 -6.353
571 H ARG 70 H ARG 70 6.781 -3.016 -7.060
572 HA ARG 70 HA ARG 70 6.200 -1.475 -4.556
573 1HB ARG 70 2HB ARG 70 5.300 -0.378 -6.501
574 2HB ARG 70 1HB ARG 70 4.631 -1.895 -7.102
575 1HG ARG 70 2HG ARG 70 3.699 -1.333 -4.387
576 2HG ARG 70 1HG ARG 70 3.277 -0.023 -5.490
577 1HD ARG 70 2HD ARG 70 2.617 -2.971 -5.815
578 2HD ARG 70 1HD ARG 70 1.477 -1.625 -5.618
579 HE ARG 70 HE ARG 70 2.861 -2.332 -8.088
580 1HH1 ARG 70 1HH2 ARG 70 3.815 0.299 -8.169
581 2HH1 ARG 70 2HH2 ARG 70 2.471 1.279 -8.653
582 1HH2 ARG 70 2HH1 ARG 70 0.098 -1.123 -7.863
583 2HH2 ARG 70 1HH1 ARG 70 0.365 0.473 -8.478
584 H ALA 71 H ALA 71 4.757 -2.287 -3.116
585 HA ALA 71 HA ALA 71 3.965 -5.148 -3.427
586 1HB ALA 71 3HB ALA 71 5.303 -3.973 -1.413
587 2HB ALA 71 2HB ALA 71 3.669 -3.545 -0.903
588 3HB ALA 71 1HB ALA 71 4.118 -5.240 -1.092
589 H ASP 72 H ASP 72 2.044 -4.859 -4.670
590 HA ASP 72 HA ASP 72 0.239 -2.657 -4.286
591 1HB ASP 72 2HB ASP 72 0.605 -4.916 -5.987
592 2HB ASP 72 1HB ASP 72 -1.053 -4.977 -5.387
593 H ILE 73 H ILE 73 -1.837 -2.677 -3.288
594 HA ILE 73 HA ILE 73 -2.631 -4.972 -1.605
595 HB ILE 73 HB ILE 73 -1.285 -2.487 -0.687
596 1HG1 ILE 73 2HG1 ILE 73 -0.346 -4.800 -0.460
597 2HG1 ILE 73 1HG1 ILE 73 -0.490 -3.953 1.077
598 1HG2 ILE 73 2HG2 ILE 73 -3.868 -3.445 0.461
599 2HG2 ILE 73 1HG2 ILE 73 -2.601 -2.991 1.599
600 3HG2 ILE 73 3HG2 ILE 73 -3.193 -1.817 0.425
601 1HD1 ILE 73 2HD1 ILE 73 -2.792 -5.627 0.153
602 2HD1 ILE 73 1HD1 ILE 73 -1.379 -6.437 0.829
603 3HD1 ILE 73 3HD1 ILE 73 -2.266 -5.258 1.795
604 H SER 74 H SER 74 -4.853 -5.027 -1.708
605 HA SER 74 HA SER 74 -6.286 -2.427 -2.100
606 1HB SER 74 2HB SER 74 -6.156 -3.657 -4.211
607 2HB SER 74 1HB SER 74 -6.718 -5.131 -3.427
608 HG SER 74 HG SER 74 -8.641 -4.436 -3.881
609 H GLU 75 H GLU 75 -8.502 -2.454 -1.129
610 HA GLU 75 HA GLU 75 -9.227 -4.842 0.461
611 1HB GLU 75 2HB GLU 75 -8.079 -2.300 1.542
612 2HB GLU 75 1HB GLU 75 -9.293 -3.150 2.500
613 1HG GLU 75 2HG GLU 75 -7.563 -4.400 3.262
614 2HG GLU 75 1HG GLU 75 -7.635 -5.203 1.693
615 H ASP 76 H ASP 76 -11.346 -5.051 0.069
616 HA ASP 76 HA ASP 76 -13.248 -3.368 -0.972
617 1HB ASP 76 2HB ASP 76 -14.846 -4.725 0.347
618 2HB ASP 76 1HB ASP 76 -13.539 -5.724 -0.284
619 H TYR 77 H TYR 77 -15.126 -2.228 0.194
620 HA TYR 77 HA TYR 77 -14.420 -1.019 2.820
621 1HB TYR 77 2HB TYR 77 -13.699 0.217 0.484
622 2HB TYR 77 1HB TYR 77 -15.294 0.915 0.759
623 HD1 TYR 77 HD2 TYR 77 -15.022 0.479 3.891
624 HD2 TYR 77 HD1 TYR 77 -12.604 2.397 0.906
625 HE1 TYR 77 HE2 TYR 77 -14.064 1.971 5.626
626 HE2 TYR 77 HE1 TYR 77 -11.645 3.888 2.639
627 HH TYR 77 HH TYR 77 -11.303 3.765 5.183
628 H LYS 78 H LYS 78 -16.739 -0.491 0.133
629 HA LYS 78 HA LYS 78 -18.981 -0.933 2.081
630 1HB LYS 78 2HB LYS 78 -18.367 1.473 1.183
631 2HB LYS 78 1HB LYS 78 -19.163 0.914 -0.286
632 1HG LYS 78 2HG LYS 78 -20.470 0.670 2.426
633 2HG LYS 78 1HG LYS 78 -20.647 2.114 1.431
634 1HD LYS 78 2HD LYS 78 -21.136 0.037 -0.351
635 2HD LYS 78 1HD LYS 78 -21.914 -0.503 1.137
636 1HE LYS 78 2HE LYS 78 -22.369 2.159 -0.262
637 2HE LYS 78 1HE LYS 78 -23.529 0.822 -0.125
638 1HZ LYS 78 2HZ LYS 78 -23.142 0.994 2.354
639 2HZ LYS 78 1HZ LYS 78 -22.407 2.494 2.047
640 3HZ LYS 78 3HZ LYS 78 -24.038 2.253 1.650
641 H THR 79 H THR 79 -17.843 -1.033 -1.268
642 HA THR 79 HA THR 79 -20.113 -2.751 -2.100
643 HB THR 79 HB THR 79 -18.911 -2.526 -4.318
644 HG1 THR 79 HG1 THR 79 -16.924 -1.871 -2.755
645 1HG2 THR 79 2HG2 THR 79 -19.495 0.024 -2.788
646 2HG2 THR 79 1HG2 THR 79 -19.343 -0.083 -4.543
647 3HG2 THR 79 3HG2 THR 79 -20.653 -0.928 -3.717
648 H ARG 80 H ARG 80 -18.100 -3.579 -0.083
649 HA ARG 80 HA ARG 80 -16.585 -5.291 0.408
650 1HB ARG 80 2HB ARG 80 -17.610 -7.408 -0.020
651 2HB ARG 80 1HB ARG 80 -18.923 -6.246 0.131
652 1HG ARG 80 2HG ARG 80 -17.951 -6.507 -2.624
653 2HG ARG 80 1HG ARG 80 -18.572 -8.015 -1.969
654 1HD ARG 80 2HD ARG 80 -20.039 -5.357 -2.074
655 2HD ARG 80 1HD ARG 80 -20.447 -6.839 -2.960
656 HE ARG 80 HE ARG 80 -20.911 -6.368 -0.095
657 1HH1 ARG 80 2HH1 ARG 80 -19.456 -8.976 -0.314
658 2HH1 ARG 80 1HH1 ARG 80 -20.754 -10.100 -0.540
659 1HH2 ARG 80 1HH2 ARG 80 -23.066 -7.664 -1.404
660 2HH2 ARG 80 2HH2 ARG 80 -22.797 -9.357 -1.157
661 H GLY 81 H GLY 81 -15.187 -3.857 -1.292
662 1HA GLY 81 2HA GLY 81 -14.486 -4.885 -3.824
663 2HA GLY 81 1HA GLY 81 -13.372 -4.011 -2.770
664 H ARG 82 H ARG 82 -11.671 -5.198 -1.867
665 HA ARG 82 HA ARG 82 -11.958 -8.008 -1.201
666 1HB ARG 82 2HB ARG 82 -11.274 -7.154 -3.894
667 2HB ARG 82 1HB ARG 82 -10.063 -8.237 -3.209
668 1HG ARG 82 2HG ARG 82 -12.823 -9.080 -2.665
669 2HG ARG 82 1HG ARG 82 -12.425 -9.052 -4.383
670 1HD ARG 82 2HD ARG 82 -10.737 -10.663 -4.154
671 2HD ARG 82 1HD ARG 82 -10.514 -10.320 -2.426
672 HE ARG 82 HE ARG 82 -13.084 -11.493 -3.403
673 1HH1 ARG 82 1HH2 ARG 82 -10.055 -12.088 -1.964
674 2HH1 ARG 82 2HH2 ARG 82 -10.673 -13.146 -0.740
675 1HH2 ARG 82 2HH1 ARG 82 -13.994 -12.616 -1.581
676 2HH2 ARG 82 1HH1 ARG 82 -12.903 -13.445 -0.523
677 H LYS 83 H LYS 83 -10.018 -8.903 -0.292
678 HA LYS 83 HA LYS 83 -7.935 -6.875 0.417
679 1HB LYS 83 2HB LYS 83 -8.902 -9.489 1.612
680 2HB LYS 83 1HB LYS 83 -7.439 -8.682 2.179
681 1HG LYS 83 2HG LYS 83 -9.488 -6.711 2.020
682 2HG LYS 83 1HG LYS 83 -10.161 -8.105 2.865
683 1HD LYS 83 2HD LYS 83 -7.450 -7.578 3.751
684 2HD LYS 83 1HD LYS 83 -8.461 -6.148 3.948
685 1HE LYS 83 2HE LYS 83 -10.031 -7.322 5.319
686 2HE LYS 83 1HE LYS 83 -9.341 -8.897 4.880
687 1HZ LYS 83 3HZ LYS 83 -7.566 -6.858 6.013
688 2HZ LYS 83 2HZ LYS 83 -8.607 -7.686 7.072
689 3HZ LYS 83 1HZ LYS 83 -7.481 -8.547 6.135
690 H LEU 84 H LEU 84 -5.949 -7.121 -0.617
691 HA LEU 84 HA LEU 84 -4.830 -9.735 -1.229
692 1HB LEU 84 2HB LEU 84 -6.744 -9.322 -2.890
693 2HB LEU 84 1HB LEU 84 -5.754 -8.026 -3.556
694 HG LEU 84 HG LEU 84 -4.057 -9.533 -4.257
695 1HD1 LEU 84 1HD1 LEU 84 -5.360 -11.373 -2.278
696 2HD1 LEU 84 3HD1 LEU 84 -4.477 -12.071 -3.636
697 3HD1 LEU 84 2HD1 LEU 84 -3.650 -11.005 -2.501
698 1HD2 LEU 84 2HD2 LEU 84 -6.356 -9.612 -5.454
699 2HD2 LEU 84 1HD2 LEU 84 -5.206 -10.903 -5.799
700 3HD2 LEU 84 3HD2 LEU 84 -6.542 -11.188 -4.685
701 H LEU 85 H LEU 85 -2.868 -9.297 -2.883
702 HA LEU 85 HA LEU 85 -1.824 -6.600 -2.945
703 1HB LEU 85 2HB LEU 85 -0.768 -6.539 -0.939
704 2HB LEU 85 1HB LEU 85 -1.672 -7.986 -0.519
705 HG LEU 85 HG LEU 85 0.979 -8.081 -1.976
706 1HD1 LEU 85 3HD1 LEU 85 0.529 -7.244 0.679
707 2HD1 LEU 85 2HD1 LEU 85 1.074 -8.917 0.793
708 3HD1 LEU 85 1HD1 LEU 85 2.067 -7.720 -0.038
709 1HD2 LEU 85 2HD2 LEU 85 -1.026 -9.993 -1.392
710 2HD2 LEU 85 1HD2 LEU 85 0.595 -10.308 -2.008
711 3HD2 LEU 85 3HD2 LEU 85 0.295 -10.318 -0.270
712 H ARG 86 H ARG 86 0.508 -6.620 -3.751
713 HA ARG 86 HA ARG 86 1.294 -9.179 -5.064
714 1HB ARG 86 2HB ARG 86 1.217 -6.568 -6.579
715 2HB ARG 86 1HB ARG 86 1.273 -8.207 -7.223
716 1HG ARG 86 2HG ARG 86 -1.030 -8.457 -5.958
717 2HG ARG 86 1HG ARG 86 -1.056 -6.699 -6.089
718 1HD ARG 86 2HD ARG 86 -1.433 -6.758 -8.341
719 2HD ARG 86 1HD ARG 86 -0.300 -8.103 -8.585
720 HE ARG 86 HE ARG 86 -2.382 -9.258 -7.175
721 1HH1 ARG 86 2HH1 ARG 86 -1.825 -7.749 -10.208
722 2HH1 ARG 86 1HH1 ARG 86 -3.307 -8.302 -10.913
723 1HH2 ARG 86 1HH2 ARG 86 -4.430 -9.825 -8.008
724 2HH2 ARG 86 2HH2 ARG 86 -4.782 -9.477 -9.667
725 H PHE 87 H PHE 87 3.466 -8.488 -6.416
726 HA PHE 87 HA PHE 87 5.155 -6.559 -4.919
727 1HB PHE 87 2HB PHE 87 5.935 -9.478 -5.101
728 2HB PHE 87 1HB PHE 87 6.643 -8.225 -4.081
729 HD1 PHE 87 HD1 PHE 87 3.756 -10.472 -4.553
730 HD2 PHE 87 HD2 PHE 87 5.562 -7.509 -2.018
731 HE1 PHE 87 HE1 PHE 87 2.157 -11.046 -2.743
732 HE2 PHE 87 HE2 PHE 87 3.962 -8.088 -0.211
733 HZ PHE 87 HZ PHE 87 2.266 -9.845 -0.583
734 H ASN 88 H ASN 88 5.176 -5.631 -7.192
735 HA ASN 88 HA ASN 88 7.465 -6.666 -8.649
736 1HB ASN 88 2HB ASN 88 5.592 -6.827 -10.698
737 2HB ASN 88 1HB ASN 88 6.408 -8.175 -9.913
738 1HD2 ASN 88 2HD2 ASN 88 3.429 -9.374 -8.465
739 2HD2 ASN 88 1HD2 ASN 88 5.039 -9.674 -8.910
740 H GLY 89 H GLY 89 6.961 -5.672 -11.159
741 1HA GLY 89 2HA GLY 89 6.622 -3.642 -12.373
742 2HA GLY 89 1HA GLY 89 6.098 -2.863 -10.869
743 HA PRO 90 HA PRO 90 10.783 -3.440 -10.190
744 1HB PRO 90 2HB PRO 90 12.241 -4.502 -12.260
745 2HB PRO 90 1HB PRO 90 11.523 -5.472 -10.957
746 1HG PRO 90 2HG PRO 90 10.461 -4.919 -13.699
747 2HG PRO 90 1HG PRO 90 10.533 -6.453 -12.811
748 1HD PRO 90 2HD PRO 90 8.261 -5.055 -12.946
749 2HD PRO 90 1HD PRO 90 8.731 -5.910 -11.457
750 H VAL 91 HN VAL 91 12.262 -1.749 -10.549
751 HA VAL 91 HA VAL 91 11.530 0.345 -12.375
752 HB VAL 91 HB VAL 91 13.417 1.425 -11.338
753 1HG1 VAL 91 3HG1 VAL 91 11.358 0.491 -9.921
754 2HG1 VAL 91 2HG1 VAL 91 12.644 -0.421 -9.129
755 3HG1 VAL 91 1HG1 VAL 91 12.697 1.341 -9.149
756 1HG2 VAL 91 3HG2 VAL 91 14.432 -1.316 -11.280
757 2HG2 VAL 91 2HG2 VAL 91 15.324 0.205 -11.251
758 3HG2 VAL 91 1HG2 VAL 91 14.682 -0.472 -9.753
No H/Q in entry = 758
Start of MODEL 8
1 1H GLY 1 2H GLY 1 -13.043 9.899 -4.293
2 2H GLY 1 1H GLY 1 -13.938 8.670 -3.533
3 3H GLY 1 3H GLY 1 -12.479 9.202 -2.850
4 1HA GLY 1 2HA GLY 1 -11.727 7.323 -3.852
5 2HA GLY 1 1HA GLY 1 -12.933 7.432 -5.135
6 H GLU 2 H GLU 2 -9.725 7.590 -4.713
7 HA GLU 2 HA GLU 2 -9.147 8.763 -7.245
8 1HB GLU 2 2HB GLU 2 -8.136 10.925 -6.264
9 2HB GLU 2 1HB GLU 2 -9.896 10.845 -6.359
10 1HG GLU 2 2HG GLU 2 -10.151 10.704 -4.085
11 2HG GLU 2 1HG GLU 2 -8.659 9.787 -3.871
12 H TRP 3 H TRP 3 -6.668 9.476 -7.252
13 HA TRP 3 HA TRP 3 -5.178 7.277 -5.993
14 1HB TRP 3 2HB TRP 3 -4.146 9.618 -7.617
15 2HB TRP 3 1HB TRP 3 -3.424 8.016 -7.458
16 HD1 TRP 3 HD1 TRP 3 -5.513 6.025 -8.142
17 HE1 TRP 3 HE1 TRP 3 -6.758 5.971 -10.398
18 HE3 TRP 3 HE3 TRP 3 -4.790 10.845 -9.664
19 HZ2 TRP 3 HZ2 TRP 3 -7.367 7.738 -12.563
20 HZ3 TRP 3 HZ3 TRP 3 -5.713 11.633 -11.825
21 HH2 TRP 3 HH2 TRP 3 -6.998 10.088 -13.276
22 H GLU 4 H GLU 4 -2.819 8.169 -5.189
23 HA GLU 4 HA GLU 4 -2.628 10.655 -3.821
24 1HB GLU 4 2HB GLU 4 -4.506 10.068 -2.516
25 2HB GLU 4 1HB GLU 4 -4.015 8.380 -2.409
26 1HG GLU 4 2HG GLU 4 -3.579 9.371 -0.266
27 2HG GLU 4 1HG GLU 4 -2.016 9.156 -1.053
28 H ILE 5 H ILE 5 -0.806 10.651 -2.245
29 HA ILE 5 HA ILE 5 0.912 8.217 -2.321
30 HB ILE 5 HB ILE 5 1.824 9.437 -4.070
31 1HG1 ILE 5 2HG1 ILE 5 3.194 10.586 -1.629
32 2HG1 ILE 5 1HG1 ILE 5 3.592 9.059 -2.420
33 1HG2 ILE 5 1HG2 ILE 5 1.098 11.917 -2.505
34 2HG2 ILE 5 3HG2 ILE 5 2.077 11.961 -3.972
35 3HG2 ILE 5 2HG2 ILE 5 0.415 11.377 -4.039
36 1HD1 ILE 5 3HD1 ILE 5 3.543 11.239 -4.336
37 2HD1 ILE 5 2HD1 ILE 5 4.665 11.580 -3.019
38 3HD1 ILE 5 1HD1 ILE 5 4.844 10.106 -3.971
39 H ILE 6 H ILE 6 2.854 8.618 -0.787
40 HA ILE 6 HA ILE 6 2.038 10.338 1.535
41 HB ILE 6 HB ILE 6 2.428 8.464 3.028
42 1HG1 ILE 6 2HG1 ILE 6 2.746 6.270 1.281
43 2HG1 ILE 6 1HG1 ILE 6 3.903 7.486 0.743
44 1HG2 ILE 6 3HG2 ILE 6 0.261 8.680 1.576
45 2HG2 ILE 6 2HG2 ILE 6 0.876 7.241 0.762
46 3HG2 ILE 6 1HG2 ILE 6 0.534 7.198 2.492
47 1HD1 ILE 6 3HD1 ILE 6 4.614 7.722 3.173
48 2HD1 ILE 6 2HD1 ILE 6 3.643 6.298 3.515
49 3HD1 ILE 6 1HD1 ILE 6 5.020 6.181 2.423
50 H ASP 7 H ASP 7 4.148 9.498 3.237
51 HA ASP 7 HA ASP 7 6.543 10.539 1.764
52 1HB ASP 7 2HB ASP 7 5.240 11.697 3.778
53 2HB ASP 7 1HB ASP 7 6.221 10.585 4.734
54 H ILE 8 H ILE 8 8.040 9.856 4.228
55 HA ILE 8 HA ILE 8 8.433 6.952 3.662
56 HB ILE 8 HB ILE 8 10.343 8.391 3.169
57 1HG1 ILE 8 2HG1 ILE 8 11.416 7.445 5.708
58 2HG1 ILE 8 1HG1 ILE 8 10.395 6.225 4.945
59 1HG2 ILE 8 3HG2 ILE 8 9.408 9.740 5.558
60 2HG2 ILE 8 2HG2 ILE 8 11.128 9.372 5.688
61 3HG2 ILE 8 1HG2 ILE 8 10.529 10.317 4.324
62 1HD1 ILE 8 1HD1 ILE 8 12.272 7.655 3.145
63 2HD1 ILE 8 3HD1 ILE 8 13.006 6.559 4.315
64 3HD1 ILE 8 2HD1 ILE 8 11.811 5.953 3.169
65 H GLY 9 H GLY 9 6.350 7.908 5.413
66 1HA GLY 9 2HA GLY 9 7.393 6.909 8.030
67 2HA GLY 9 1HA GLY 9 6.308 8.289 7.953
68 HA PRO 10 HA PRO 10 2.848 5.663 8.033
69 1HB PRO 10 2HB PRO 10 1.232 6.254 5.910
70 2HB PRO 10 1HB PRO 10 1.463 7.335 7.297
71 1HG PRO 10 2HG PRO 10 2.591 7.490 4.575
72 2HG PRO 10 1HG PRO 10 2.171 8.787 5.700
73 1HD PRO 10 2HD PRO 10 4.724 7.845 5.179
74 2HD PRO 10 1HD PRO 10 4.262 8.823 6.585
75 H PHE 11 H PHE 11 2.362 5.488 4.557
76 HA PHE 11 HA PHE 11 2.002 2.778 4.340
77 1HB PHE 11 2HB PHE 11 2.833 4.946 2.587
78 2HB PHE 11 1HB PHE 11 3.476 3.393 2.053
79 HD1 PHE 11 HD2 PHE 11 1.598 1.401 2.596
80 HD2 PHE 11 HD1 PHE 11 0.816 5.492 1.563
81 HE1 PHE 11 HE2 PHE 11 -0.652 0.762 1.773
82 HE2 PHE 11 HE1 PHE 11 -1.436 4.857 0.746
83 HZ PHE 11 HZ PHE 11 -2.170 2.491 0.848
84 H THR 12 H THR 12 5.177 4.382 4.618
85 HA THR 12 HA THR 12 6.915 2.266 4.027
86 HB THR 12 HB THR 12 8.377 3.447 5.577
87 HG1 THR 12 HG1 THR 12 7.203 5.189 6.817
88 1HG2 THR 12 1HG2 THR 12 6.968 4.653 3.516
89 2HG2 THR 12 3HG2 THR 12 6.877 5.817 4.836
90 3HG2 THR 12 2HG2 THR 12 8.447 5.258 4.260
91 H GLN 13 H GLN 13 5.426 3.131 7.128
92 HA GLN 13 HA GLN 13 6.186 0.737 8.529
93 1HB GLN 13 2HB GLN 13 4.809 3.166 8.989
94 2HB GLN 13 1HB GLN 13 3.695 1.877 9.450
95 1HG GLN 13 2HG GLN 13 5.468 0.868 10.859
96 2HG GLN 13 1HG GLN 13 6.549 2.195 10.429
97 1HE2 GLN 13 2HE2 GLN 13 4.616 4.624 12.329
98 2HE2 GLN 13 1HE2 GLN 13 5.447 4.486 10.856
99 H ASN 14 H ASN 14 3.610 1.488 6.336
100 HA ASN 14 HA ASN 14 1.886 -0.742 6.987
101 1HB ASN 14 2HB ASN 14 2.176 0.951 4.495
102 2HB ASN 14 1HB ASN 14 0.808 -0.104 4.845
103 1HD2 ASN 14 2HD2 ASN 14 -0.745 2.197 7.022
104 2HD2 ASN 14 1HD2 ASN 14 -0.815 0.679 6.267
105 H LEU 15 H LEU 15 4.128 -0.141 4.306
106 HA LEU 15 HA LEU 15 4.011 -2.519 2.899
107 1HB LEU 15 2HB LEU 15 5.505 -0.833 2.167
108 2HB LEU 15 1HB LEU 15 6.295 -0.729 3.739
109 HG LEU 15 HG LEU 15 7.496 -1.969 1.752
110 1HD1 LEU 15 2HD1 LEU 15 7.826 -1.950 4.440
111 2HD1 LEU 15 1HD1 LEU 15 7.523 -3.668 4.180
112 3HD1 LEU 15 3HD1 LEU 15 8.857 -2.872 3.346
113 1HD2 LEU 15 2HD2 LEU 15 5.257 -3.468 1.684
114 2HD2 LEU 15 1HD2 LEU 15 6.838 -4.114 1.242
115 3HD2 LEU 15 3HD2 LEU 15 6.185 -4.410 2.853
116 H GLY 16 H GLY 16 6.228 -1.989 5.680
117 1HA GLY 16 2HA GLY 16 7.169 -4.589 5.999
118 2HA GLY 16 1HA GLY 16 6.860 -3.518 7.369
119 H LYS 17 H LYS 17 4.107 -3.248 7.252
120 HA LYS 17 HA LYS 17 3.234 -5.852 8.282
121 1HB LYS 17 2HB LYS 17 2.078 -3.080 8.036
122 2HB LYS 17 1HB LYS 17 1.126 -4.425 8.667
123 1HG LYS 17 2HG LYS 17 3.836 -3.635 9.768
124 2HG LYS 17 1HG LYS 17 2.308 -3.066 10.441
125 1HD LYS 17 2HD LYS 17 2.397 -5.975 10.028
126 2HD LYS 17 1HD LYS 17 3.589 -5.389 11.190
127 1HE LYS 17 2HE LYS 17 1.929 -5.276 12.729
128 2HE LYS 17 1HE LYS 17 1.178 -3.997 11.755
129 1HZ LYS 17 3HZ LYS 17 0.521 -6.084 10.298
130 2HZ LYS 17 2HZ LYS 17 0.612 -6.864 11.804
131 3HZ LYS 17 1HZ LYS 17 -0.448 -5.556 11.586
132 H PHE 18 H PHE 18 1.293 -3.704 6.330
133 HA PHE 18 HA PHE 18 -0.442 -5.383 5.105
134 1HB PHE 18 2HB PHE 18 0.959 -2.903 4.343
135 2HB PHE 18 1HB PHE 18 0.207 -3.766 3.001
136 HD1 PHE 18 HD1 PHE 18 -2.242 -4.701 3.545
137 HD2 PHE 18 HD2 PHE 18 -0.356 -1.395 5.537
138 HE1 PHE 18 HE1 PHE 18 -4.466 -3.853 4.243
139 HE2 PHE 18 HE2 PHE 18 -2.579 -0.547 6.234
140 HZ PHE 18 HZ PHE 18 -4.634 -1.777 5.587
141 H ALA 19 H ALA 19 2.955 -5.213 4.309
142 HA ALA 19 HA ALA 19 2.665 -6.936 1.946
143 1HB ALA 19 2HB ALA 19 4.384 -5.027 2.495
144 2HB ALA 19 1HB ALA 19 5.250 -6.301 3.352
145 3HB ALA 19 3HB ALA 19 4.937 -6.452 1.623
146 H VAL 20 H VAL 20 4.809 -7.368 4.800
147 HA VAL 20 HA VAL 20 5.153 -10.117 4.683
148 HB VAL 20 HB VAL 20 4.772 -8.195 6.988
149 1HG1 VAL 20 3HG1 VAL 20 4.130 -10.487 7.725
150 2HG1 VAL 20 2HG1 VAL 20 5.694 -11.080 7.164
151 3HG1 VAL 20 1HG1 VAL 20 5.614 -9.927 8.496
152 1HG2 VAL 20 1HG2 VAL 20 7.104 -9.494 5.575
153 2HG2 VAL 20 3HG2 VAL 20 6.793 -7.776 5.824
154 3HG2 VAL 20 2HG2 VAL 20 7.283 -8.789 7.182
155 H ASP 21 H ASP 21 2.237 -8.378 5.569
156 HA ASP 21 HA ASP 21 0.900 -10.800 6.605
157 1HB ASP 21 2HB ASP 21 0.694 -8.136 7.118
158 2HB ASP 21 1HB ASP 21 -0.603 -8.322 5.938
159 H GLU 22 H GLU 22 0.086 -8.476 3.966
160 HA GLU 22 HA GLU 22 -1.686 -10.319 2.687
161 1HB GLU 22 2HB GLU 22 -0.112 -7.967 1.596
162 2HB GLU 22 1HB GLU 22 -1.470 -8.735 0.773
163 1HG GLU 22 2HG GLU 22 -1.695 -7.599 3.565
164 2HG GLU 22 1HG GLU 22 -2.034 -6.645 2.121
165 H GLU 23 H GLU 23 1.757 -9.625 2.149
166 HA GLU 23 HA GLU 23 2.162 -11.350 -0.028
167 1HB GLU 23 2HB GLU 23 3.944 -10.551 2.297
168 2HB GLU 23 1HB GLU 23 4.527 -11.296 0.813
169 1HG GLU 23 2HG GLU 23 3.678 -9.403 -0.503
170 2HG GLU 23 1HG GLU 23 3.017 -8.670 0.956
171 H ASN 24 H ASN 24 2.594 -11.932 3.476
172 HA ASN 24 HA ASN 24 3.119 -14.754 3.203
173 1HB ASN 24 2HB ASN 24 3.612 -13.287 5.188
174 2HB ASN 24 1HB ASN 24 1.879 -13.208 5.509
175 1HD2 ASN 24 2HD2 ASN 24 3.842 -16.226 7.100
176 2HD2 ASN 24 1HD2 ASN 24 4.495 -14.712 6.697
177 H LYS 25 H LYS 25 0.154 -12.911 3.976
178 HA LYS 25 HA LYS 25 -1.636 -15.106 4.137
179 1HB LYS 25 2HB LYS 25 -2.135 -12.786 4.799
180 2HB LYS 25 1HB LYS 25 -2.045 -12.286 3.109
181 1HG LYS 25 2HG LYS 25 -4.087 -13.180 2.594
182 2HG LYS 25 1HG LYS 25 -3.884 -14.540 3.699
183 1HD LYS 25 2HD LYS 25 -4.047 -12.625 5.536
184 2HD LYS 25 1HD LYS 25 -4.915 -11.786 4.251
185 1HE LYS 25 2HE LYS 25 -6.516 -13.055 5.618
186 2HE LYS 25 1HE LYS 25 -6.400 -13.809 4.016
187 1HZ LYS 25 2HZ LYS 25 -4.454 -14.647 6.018
188 2HZ LYS 25 1HZ LYS 25 -6.050 -15.184 6.246
189 3HZ LYS 25 3HZ LYS 25 -5.228 -15.559 4.811
190 H ILE 26 H ILE 26 -0.594 -13.212 1.342
191 HA ILE 26 HA ILE 26 -2.267 -14.584 -0.566
192 HB ILE 26 HB ILE 26 -0.951 -12.285 -0.627
193 1HG1 ILE 26 2HG1 ILE 26 -1.188 -12.262 -3.048
194 2HG1 ILE 26 1HG1 ILE 26 -1.194 -14.026 -3.092
195 1HG2 ILE 26 2HG2 ILE 26 1.210 -14.025 -0.781
196 2HG2 ILE 26 1HG2 ILE 26 0.940 -13.568 -2.459
197 3HG2 ILE 26 3HG2 ILE 26 1.227 -12.327 -1.245
198 1HD1 ILE 26 1HD1 ILE 26 -3.186 -12.872 -1.257
199 2HD1 ILE 26 3HD1 ILE 26 -3.450 -12.461 -2.951
200 3HD1 ILE 26 2HD1 ILE 26 -3.370 -14.152 -2.455
201 H GLY 27 H GLY 27 0.639 -15.445 1.017
202 1HA GLY 27 2HA GLY 27 1.197 -17.900 0.799
203 2HA GLY 27 1HA GLY 27 1.049 -17.671 -0.944
204 H GLN 28 H GLN 28 2.718 -15.838 1.639
205 HA GLN 28 HA GLN 28 5.344 -16.440 0.446
206 1HB GLN 28 2HB GLN 28 3.768 -14.209 -0.371
207 2HB GLN 28 1HB GLN 28 5.111 -13.578 0.584
208 1HG GLN 28 2HG GLN 28 6.125 -13.700 -1.494
209 2HG GLN 28 1HG GLN 28 6.506 -15.308 -0.875
210 1HE2 GLN 28 2HE2 GLN 28 3.348 -15.100 -3.514
211 2HE2 GLN 28 1HE2 GLN 28 3.533 -13.874 -2.355
212 H TYR 29 H TYR 29 5.507 -17.259 2.708
213 HA TYR 29 HA TYR 29 5.696 -15.116 4.781
214 1HB TYR 29 2HB TYR 29 5.399 -16.931 6.343
215 2HB TYR 29 1HB TYR 29 4.232 -17.178 5.044
216 HD1 TYR 29 HD1 TYR 29 4.541 -18.950 3.382
217 HD2 TYR 29 HD2 TYR 29 7.361 -18.368 6.569
218 HE1 TYR 29 HE1 TYR 29 5.535 -21.172 2.907
219 HE2 TYR 29 HE2 TYR 29 8.356 -20.590 6.095
220 HH TYR 29 HH TYR 29 7.854 -22.266 3.292
221 H GLY 30 H GLY 30 7.761 -15.708 2.668
222 1HA GLY 30 2HA GLY 30 9.964 -17.177 3.414
223 2HA GLY 30 1HA GLY 30 10.127 -15.573 2.699
224 H ARG 31 H ARG 31 9.263 -13.875 4.621
225 HA ARG 31 HA ARG 31 10.085 -14.452 7.309
226 1HB ARG 31 2HB ARG 31 12.157 -14.025 5.339
227 2HB ARG 31 1HB ARG 31 12.208 -12.737 6.543
228 1HG ARG 31 2HG ARG 31 12.322 -14.360 8.349
229 2HG ARG 31 1HG ARG 31 12.119 -15.693 7.211
230 1HD ARG 31 2HD ARG 31 14.437 -13.732 7.098
231 2HD ARG 31 1HD ARG 31 14.522 -15.327 7.871
232 HE ARG 31 HE ARG 31 13.416 -15.640 5.257
233 1HH1 ARG 31 1HH2 ARG 31 16.032 -16.570 6.942
234 2HH1 ARG 31 2HH2 ARG 31 17.194 -16.414 5.667
235 1HH2 ARG 31 2HH1 ARG 31 15.047 -14.684 3.563
236 2HH2 ARG 31 1HH1 ARG 31 16.637 -15.345 3.754
237 H LEU 32 H LEU 32 11.142 -11.614 5.485
238 HA LEU 32 HA LEU 32 8.828 -10.053 6.541
239 1HB LEU 32 2HB LEU 32 10.502 -8.341 7.312
240 2HB LEU 32 1HB LEU 32 10.629 -9.874 8.177
241 HG LEU 32 HG LEU 32 12.247 -9.737 5.718
242 1HD1 LEU 32 1HD1 LEU 32 12.327 -7.564 7.647
243 2HD1 LEU 32 3HD1 LEU 32 13.866 -8.422 7.590
244 3HD1 LEU 32 2HD1 LEU 32 13.188 -7.728 6.117
245 1HD2 LEU 32 2HD2 LEU 32 12.132 -11.387 7.837
246 2HD2 LEU 32 1HD2 LEU 32 13.623 -11.133 6.931
247 3HD2 LEU 32 3HD2 LEU 32 13.349 -10.264 8.440
248 H THR 33 H THR 33 8.720 -7.883 5.446
249 HA THR 33 HA THR 33 10.063 -7.893 2.772
250 HB THR 33 HB THR 33 7.550 -6.669 2.520
251 HG1 THR 33 HG1 THR 33 6.455 -8.807 3.317
252 1HG2 THR 33 2HG2 THR 33 9.012 -8.930 1.494
253 2HG2 THR 33 1HG2 THR 33 7.317 -9.368 1.705
254 3HG2 THR 33 3HG2 THR 33 7.752 -7.982 0.704
255 H PHE 34 H PHE 34 11.219 -6.466 4.783
256 HA PHE 34 HA PHE 34 10.910 -3.695 3.880
257 1HB PHE 34 2HB PHE 34 9.067 -3.789 5.423
258 2HB PHE 34 1HB PHE 34 10.038 -4.642 6.623
259 HD1 PHE 34 HD1 PHE 34 10.221 -1.487 4.588
260 HD2 PHE 34 HD2 PHE 34 10.870 -3.380 8.389
261 HE1 PHE 34 HE1 PHE 34 10.950 0.682 5.544
262 HE2 PHE 34 HE2 PHE 34 11.599 -1.210 9.345
263 HZ PHE 34 HZ PHE 34 11.639 0.820 7.922
264 H ASN 35 H ASN 35 13.082 -3.270 3.650
265 HA ASN 35 HA ASN 35 14.833 -3.556 6.028
266 1HB ASN 35 2HB ASN 35 15.129 -5.670 4.952
267 2HB ASN 35 1HB ASN 35 15.181 -4.927 3.353
268 1HD2 ASN 35 2HD2 ASN 35 18.473 -4.278 5.744
269 2HD2 ASN 35 1HD2 ASN 35 16.929 -4.255 6.447
270 H LYS 36 H LYS 36 14.966 -2.781 2.513
271 HA LYS 36 HA LYS 36 17.056 -0.819 2.827
272 1HB LYS 36 2HB LYS 36 15.128 -1.705 0.719
273 2HB LYS 36 1HB LYS 36 16.036 -0.217 0.455
274 1HG LYS 36 2HG LYS 36 17.930 -2.031 1.430
275 2HG LYS 36 1HG LYS 36 16.949 -2.977 0.312
276 1HD LYS 36 2HD LYS 36 17.272 -1.249 -1.428
277 2HD LYS 36 1HD LYS 36 18.276 -0.321 -0.312
278 1HE LYS 36 2HE LYS 36 19.898 -2.167 -0.189
279 2HE LYS 36 1HE LYS 36 18.880 -3.147 -1.264
280 1HZ LYS 36 1HZ LYS 36 18.977 -1.196 -2.837
281 2HZ LYS 36 3HZ LYS 36 20.231 -0.581 -1.876
282 3HZ LYS 36 2HZ LYS 36 20.420 -2.074 -2.663
283 H VAL 37 H VAL 37 14.420 0.516 1.035
284 HA VAL 37 HA VAL 37 13.404 2.151 3.273
285 HB VAL 37 HB VAL 37 15.382 3.057 1.196
286 1HG1 VAL 37 3HG1 VAL 37 13.478 4.847 2.738
287 2HG1 VAL 37 2HG1 VAL 37 14.828 5.399 1.748
288 3HG1 VAL 37 1HG1 VAL 37 13.458 4.588 0.994
289 1HG2 VAL 37 3HG2 VAL 37 15.124 2.989 4.162
290 2HG2 VAL 37 2HG2 VAL 37 16.540 2.710 3.151
291 3HG2 VAL 37 1HG2 VAL 37 15.993 4.357 3.466
292 H ILE 38 H ILE 38 11.909 3.921 2.370
293 HA ILE 38 HA ILE 38 10.581 3.063 -0.179
294 HB ILE 38 HB ILE 38 9.079 2.253 1.386
295 1HG1 ILE 38 2HG1 ILE 38 8.089 4.241 0.059
296 2HG1 ILE 38 1HG1 ILE 38 7.192 3.677 1.465
297 1HG2 ILE 38 3HG2 ILE 38 10.428 2.882 3.348
298 2HG2 ILE 38 2HG2 ILE 38 9.820 4.533 3.238
299 3HG2 ILE 38 1HG2 ILE 38 8.717 3.211 3.620
300 1HD1 ILE 38 3HD1 ILE 38 8.946 5.589 2.504
301 2HD1 ILE 38 2HD1 ILE 38 8.435 6.270 0.966
302 3HD1 ILE 38 1HD1 ILE 38 7.233 5.822 2.169
303 H ARG 39 H ARG 39 10.337 4.718 -1.585
304 HA ARG 39 HA ARG 39 10.296 7.506 -0.511
305 1HB ARG 39 2HB ARG 39 12.249 6.165 -2.192
306 2HB ARG 39 1HB ARG 39 11.568 7.568 -3.016
307 1HG ARG 39 2HG ARG 39 12.406 7.818 -0.144
308 2HG ARG 39 1HG ARG 39 13.633 7.876 -1.411
309 1HD ARG 39 2HD ARG 39 13.116 10.086 -1.594
310 2HD ARG 39 1HD ARG 39 11.610 9.553 -2.368
311 HE ARG 39 HE ARG 39 10.714 9.380 0.053
312 1HH1 ARG 39 2HH1 ARG 39 11.838 10.275 2.123
313 2HH1 ARG 39 1HH1 ARG 39 12.139 11.977 2.025
314 1HH2 ARG 39 1HH2 ARG 39 11.692 12.126 -1.411
315 2HH2 ARG 39 2HH2 ARG 39 12.056 13.026 0.023
316 HA PRO 40 HA PRO 40 7.790 7.524 -4.455
317 1HB PRO 40 2HB PRO 40 8.017 5.539 -6.316
318 2HB PRO 40 1HB PRO 40 9.117 6.926 -6.243
319 1HG PRO 40 2HG PRO 40 9.605 4.134 -5.542
320 2HG PRO 40 1HG PRO 40 10.755 5.422 -5.906
321 1HD PRO 40 2HD PRO 40 9.999 4.399 -3.339
322 2HD PRO 40 1HD PRO 40 11.169 5.679 -3.715
323 H CYS 41 H CYS 41 7.007 6.165 -2.135
324 HA CYS 41 HA CYS 41 5.347 3.847 -2.924
325 1HB CYS 41 2HB CYS 41 4.757 3.919 -0.489
326 2HB CYS 41 1HB CYS 41 6.496 3.868 -0.768
327 HG CYS 41 HG CYS 41 6.597 6.442 -0.268
328 H MET 42 H MET 42 3.484 4.353 -4.021
329 HA MET 42 HA MET 42 1.984 6.822 -3.234
330 1HB MET 42 2HB MET 42 2.209 5.142 -5.736
331 2HB MET 42 1HB MET 42 0.927 6.339 -5.540
332 1HG MET 42 2HG MET 42 2.591 8.105 -5.194
333 2HG MET 42 1HG MET 42 3.895 6.923 -5.307
334 1HE MET 42 2HE MET 42 4.655 5.735 -7.175
335 2HE MET 42 1HE MET 42 4.661 6.430 -8.795
336 3HE MET 42 3HE MET 42 5.302 7.355 -7.429
337 H LYS 43 H LYS 43 -0.495 6.443 -3.822
338 HA LYS 43 HA LYS 43 -1.450 3.736 -3.101
339 1HB LYS 43 2HB LYS 43 -2.435 4.410 -1.056
340 2HB LYS 43 1HB LYS 43 -0.857 5.195 -1.036
341 1HG LYS 43 2HG LYS 43 -2.071 7.068 -0.575
342 2HG LYS 43 1HG LYS 43 -2.345 7.088 -2.316
343 1HD LYS 43 2HD LYS 43 -4.539 6.616 -2.066
344 2HD LYS 43 1HD LYS 43 -4.194 5.295 -0.950
345 1HE LYS 43 2HE LYS 43 -3.593 7.653 0.482
346 2HE LYS 43 1HE LYS 43 -5.137 7.962 -0.339
347 1HZ LYS 43 1HZ LYS 43 -5.600 5.511 0.381
348 2HZ LYS 43 3HZ LYS 43 -4.445 5.845 1.576
349 3HZ LYS 43 2HZ LYS 43 -5.855 6.786 1.476
350 H LYS 44 H LYS 44 -3.535 3.376 -3.906
351 HA LYS 44 HA LYS 44 -5.034 5.724 -4.992
352 1HB LYS 44 2HB LYS 44 -4.166 3.178 -6.390
353 2HB LYS 44 1HB LYS 44 -5.433 4.226 -7.031
354 1HG LYS 44 2HG LYS 44 -3.693 5.267 -8.075
355 2HG LYS 44 1HG LYS 44 -3.492 6.061 -6.512
356 1HD LYS 44 2HD LYS 44 -2.105 3.801 -6.026
357 2HD LYS 44 1HD LYS 44 -1.861 3.912 -7.769
358 1HE LYS 44 2HE LYS 44 -1.393 6.498 -7.074
359 2HE LYS 44 1HE LYS 44 -0.826 5.668 -5.611
360 1HZ LYS 44 2HZ LYS 44 -0.117 4.769 -8.346
361 2HZ LYS 44 1HZ LYS 44 0.850 5.850 -7.462
362 3HZ LYS 44 3HZ LYS 44 0.581 4.282 -6.875
363 H THR 45 H THR 45 -6.827 5.581 -3.652
364 HA THR 45 HA THR 45 -8.190 2.909 -3.502
365 HB THR 45 HB THR 45 -7.682 5.095 -1.483
366 HG1 THR 45 HG1 THR 45 -7.094 2.405 -1.858
367 1HG2 THR 45 1HG2 THR 45 -10.089 3.516 -1.757
368 2HG2 THR 45 3HG2 THR 45 -9.271 3.130 -0.251
369 3HG2 THR 45 2HG2 THR 45 -9.739 4.793 -0.605
370 H ILE 46 H ILE 46 -10.513 2.971 -3.483
371 HA ILE 46 HA ILE 46 -11.718 5.551 -4.452
372 HB ILE 46 HB ILE 46 -13.146 4.127 -5.859
373 1HG1 ILE 46 2HG1 ILE 46 -11.555 1.744 -4.901
374 2HG1 ILE 46 1HG1 ILE 46 -13.048 2.231 -4.095
375 1HG2 ILE 46 1HG2 ILE 46 -10.560 4.671 -6.342
376 2HG2 ILE 46 3HG2 ILE 46 -10.464 2.910 -6.326
377 3HG2 ILE 46 2HG2 ILE 46 -11.542 3.724 -7.461
378 1HD1 ILE 46 1HD1 ILE 46 -12.934 1.829 -7.081
379 2HD1 ILE 46 3HD1 ILE 46 -13.247 0.486 -5.983
380 3HD1 ILE 46 2HD1 ILE 46 -14.351 1.859 -6.032
381 H TYR 47 H TYR 47 -11.422 4.737 -1.770
382 HA TYR 47 HA TYR 47 -13.769 3.379 -0.773
383 1HB TYR 47 2HB TYR 47 -12.721 3.686 1.308
384 2HB TYR 47 1HB TYR 47 -11.370 3.638 0.180
385 HD1 TYR 47 HD1 TYR 47 -11.877 6.441 -1.032
386 HD2 TYR 47 HD2 TYR 47 -11.659 5.013 3.015
387 HE1 TYR 47 HE1 TYR 47 -11.177 8.694 -0.274
388 HE2 TYR 47 HE2 TYR 47 -10.959 7.268 3.771
389 HH TYR 47 HH TYR 47 -11.172 9.619 2.977
390 H GLU 48 H GLU 48 -14.152 5.140 1.443
391 HA GLU 48 HA GLU 48 -16.411 6.638 0.539
392 1HB GLU 48 2HB GLU 48 -16.744 6.796 2.802
393 2HB GLU 48 1HB GLU 48 -15.529 5.525 2.792
394 1HG GLU 48 2HG GLU 48 -13.893 7.663 2.845
395 2HG GLU 48 1HG GLU 48 -15.287 8.350 3.680
396 H ASN 49 H ASN 49 -16.186 8.938 2.150
397 HA ASN 49 HA ASN 49 -13.947 10.579 1.139
398 1HB ASN 49 2HB ASN 49 -16.619 10.435 -0.064
399 2HB ASN 49 1HB ASN 49 -16.171 12.078 0.393
400 1HD2 ASN 49 2HD2 ASN 49 -14.544 12.141 -2.776
401 2HD2 ASN 49 1HD2 ASN 49 -15.895 12.674 -1.898
402 H GLU 50 H GLU 50 -17.025 10.342 2.899
403 HA GLU 50 HA GLU 50 -15.992 12.403 4.807
404 1HB GLU 50 2HB GLU 50 -18.357 13.187 4.952
405 2HB GLU 50 1HB GLU 50 -17.699 13.345 3.323
406 1HG GLU 50 2HG GLU 50 -18.752 11.178 2.712
407 2HG GLU 50 1HG GLU 50 -19.461 11.089 4.324
408 H ARG 51 H ARG 51 -17.913 9.442 4.319
409 HA ARG 51 HA ARG 51 -17.349 8.575 7.049
410 1HB ARG 51 2HB ARG 51 -19.562 8.848 7.958
411 2HB ARG 51 1HB ARG 51 -19.072 10.400 7.277
412 1HG ARG 51 2HG ARG 51 -20.243 9.574 5.112
413 2HG ARG 51 1HG ARG 51 -21.022 8.392 6.164
414 1HD ARG 51 2HD ARG 51 -22.376 9.964 7.115
415 2HD ARG 51 1HD ARG 51 -21.066 11.158 7.210
416 HE ARG 51 HE ARG 51 -21.511 11.778 4.909
417 1HH1 ARG 51 1HH2 ARG 51 -22.314 10.060 3.091
418 2HH1 ARG 51 2HH2 ARG 51 -24.033 9.868 3.184
419 1HH2 ARG 51 2HH1 ARG 51 -24.276 11.216 6.370
420 2HH2 ARG 51 1HH1 ARG 51 -25.144 10.523 5.041
421 H GLU 52 H GLU 52 -17.708 7.656 4.053
422 HA GLU 52 HA GLU 52 -19.368 5.213 4.614
423 1HB GLU 52 2HB GLU 52 -18.472 6.320 1.949
424 2HB GLU 52 1HB GLU 52 -19.791 5.191 2.262
425 1HG GLU 52 2HG GLU 52 -19.727 8.032 3.314
426 2HG GLU 52 1HG GLU 52 -20.550 7.556 1.828
427 H ILE 53 H ILE 53 -18.244 3.959 2.237
428 HA ILE 53 HA ILE 53 -15.373 3.644 2.499
429 HB ILE 53 HB ILE 53 -16.631 2.559 4.580
430 1HG1 ILE 53 2HG1 ILE 53 -14.801 0.563 4.130
431 2HG1 ILE 53 1HG1 ILE 53 -14.227 1.824 3.038
432 1HG2 ILE 53 1HG2 ILE 53 -18.132 1.183 3.130
433 2HG2 ILE 53 3HG2 ILE 53 -16.714 0.325 2.528
434 3HG2 ILE 53 2HG2 ILE 53 -17.162 0.203 4.229
435 1HD1 ILE 53 2HD1 ILE 53 -14.740 3.330 5.221
436 2HD1 ILE 53 1HD1 ILE 53 -14.346 1.801 6.007
437 3HD1 ILE 53 3HD1 ILE 53 -13.175 2.568 4.934
438 H LYS 54 H LYS 54 -14.580 2.481 0.661
439 HA LYS 54 HA LYS 54 -16.621 0.949 -0.905
440 1HB LYS 54 2HB LYS 54 -15.458 3.527 -1.510
441 2HB LYS 54 1HB LYS 54 -15.117 2.351 -2.781
442 1HG LYS 54 2HG LYS 54 -17.331 2.084 -3.331
443 2HG LYS 54 1HG LYS 54 -17.883 2.388 -1.683
444 1HD LYS 54 2HD LYS 54 -16.650 4.591 -3.332
445 2HD LYS 54 1HD LYS 54 -18.364 4.203 -3.477
446 1HE LYS 54 2HE LYS 54 -18.720 4.626 -1.103
447 2HE LYS 54 1HE LYS 54 -16.979 4.871 -0.855
448 1HZ LYS 54 3HZ LYS 54 -17.134 6.608 -2.644
449 2HZ LYS 54 2HZ LYS 54 -18.824 6.499 -2.510
450 3HZ LYS 54 1HZ LYS 54 -17.895 7.010 -1.183
451 H GLY 55 H GLY 55 -13.262 1.988 -1.763
452 1HA GLY 55 2HA GLY 55 -12.470 -0.878 -1.570
453 2HA GLY 55 1HA GLY 55 -12.263 -0.045 -3.112
454 H TYR 56 H TYR 56 -10.013 -1.056 -1.866
455 HA TYR 56 HA TYR 56 -8.556 1.452 -1.277
456 1HB TYR 56 2HB TYR 56 -9.409 0.701 0.885
457 2HB TYR 56 1HB TYR 56 -8.766 -0.917 0.604
458 HD1 TYR 56 HD2 TYR 56 -7.845 2.635 1.170
459 HD2 TYR 56 HD1 TYR 56 -6.448 -1.420 0.949
460 HE1 TYR 56 HE2 TYR 56 -5.664 3.334 2.122
461 HE2 TYR 56 HE1 TYR 56 -4.268 -0.722 1.901
462 HH TYR 56 HH TYR 56 -3.021 0.985 2.577
463 H GLU 57 H GLU 57 -7.398 0.972 -3.250
464 HA GLU 57 HA GLU 57 -5.655 -1.462 -3.133
465 1HB GLU 57 2HB GLU 57 -6.972 -1.547 -5.093
466 2HB GLU 57 1HB GLU 57 -6.870 0.196 -5.340
467 1HG GLU 57 2HG GLU 57 -4.586 0.056 -6.042
468 2HG GLU 57 1HG GLU 57 -4.454 -1.617 -5.500
469 H TYR 58 H TYR 58 -3.340 -1.053 -3.850
470 HA TYR 58 HA TYR 58 -2.556 1.800 -3.958
471 1HB TYR 58 2HB TYR 58 -1.895 2.008 -1.817
472 2HB TYR 58 1HB TYR 58 -2.847 0.561 -1.519
473 HD1 TYR 58 HD2 TYR 58 -1.265 -1.634 -2.604
474 HD2 TYR 58 HD1 TYR 58 0.086 1.915 -0.599
475 HE1 TYR 58 HE2 TYR 58 0.755 -2.827 -1.830
476 HE2 TYR 58 HE1 TYR 58 2.094 0.712 0.176
477 HH TYR 58 HH TYR 58 2.582 -1.979 0.591
478 H GLN 59 H GLN 59 -0.195 2.099 -4.070
479 HA GLN 59 HA GLN 59 1.307 -0.207 -5.227
480 1HB GLN 59 2HB GLN 59 1.257 2.590 -6.401
481 2HB GLN 59 1HB GLN 59 1.849 1.114 -7.160
482 1HG GLN 59 2HG GLN 59 -0.649 0.309 -6.774
483 2HG GLN 59 1HG GLN 59 -0.969 2.042 -6.769
484 1HE2 GLN 59 2HE2 GLN 59 -1.019 0.625 -10.308
485 2HE2 GLN 59 1HE2 GLN 59 -1.765 0.099 -8.877
486 H LEU 60 H LEU 60 3.198 -0.309 -4.019
487 HA LEU 60 HA LEU 60 4.275 2.274 -2.918
488 1HB LEU 60 2HB LEU 60 3.378 0.955 -1.141
489 2HB LEU 60 1HB LEU 60 4.086 -0.527 -1.776
490 HG LEU 60 HG LEU 60 6.263 1.198 -1.425
491 1HD1 LEU 60 3HD1 LEU 60 4.206 2.238 0.127
492 2HD1 LEU 60 2HD1 LEU 60 5.091 1.220 1.263
493 3HD1 LEU 60 1HD1 LEU 60 5.929 2.508 0.397
494 1HD2 LEU 60 2HD2 LEU 60 5.114 -1.058 0.241
495 2HD2 LEU 60 1HD2 LEU 60 6.395 -1.155 -0.968
496 3HD2 LEU 60 3HD2 LEU 60 6.693 -0.344 0.569
497 H TYR 61 H TYR 61 5.573 2.418 -4.873
498 HA TYR 61 HA TYR 61 7.427 0.312 -5.585
499 1HB TYR 61 2HB TYR 61 6.779 1.656 -7.337
500 2HB TYR 61 1HB TYR 61 6.702 3.098 -6.334
501 HD1 TYR 61 HD2 TYR 61 9.660 0.864 -6.380
502 HD2 TYR 61 HD1 TYR 61 7.950 4.506 -7.867
503 HE1 TYR 61 HE2 TYR 61 11.883 1.560 -7.215
504 HE2 TYR 61 HE1 TYR 61 10.175 5.206 -8.707
505 HH TYR 61 HH TYR 61 12.937 3.027 -8.621
506 H VAL 62 H VAL 62 9.053 -0.189 -4.140
507 HA VAL 62 HA VAL 62 10.921 1.934 -3.275
508 HB VAL 62 HB VAL 62 10.540 1.371 -0.879
509 1HG1 VAL 62 3HG1 VAL 62 9.287 3.248 -2.048
510 2HG1 VAL 62 2HG1 VAL 62 7.925 2.139 -2.193
511 3HG1 VAL 62 1HG1 VAL 62 8.509 2.610 -0.601
512 1HG2 VAL 62 3HG2 VAL 62 8.566 -0.496 -2.145
513 2HG2 VAL 62 2HG2 VAL 62 9.669 -0.781 -0.799
514 3HG2 VAL 62 1HG2 VAL 62 8.206 0.174 -0.553
515 H TYR 63 H TYR 63 12.154 0.474 -1.265
516 HA TYR 63 HA TYR 63 12.811 -2.160 -2.514
517 1HB TYR 63 2HB TYR 63 14.392 -0.177 -3.053
518 2HB TYR 63 1HB TYR 63 14.895 -0.306 -1.366
519 HD1 TYR 63 HD2 TYR 63 15.169 -2.959 -0.630
520 HD2 TYR 63 HD1 TYR 63 15.741 -1.307 -4.550
521 HE1 TYR 63 HE2 TYR 63 16.642 -4.866 -1.221
522 HE2 TYR 63 HE1 TYR 63 17.213 -3.213 -5.145
523 HH TYR 63 HH TYR 63 18.617 -4.875 -3.993
524 H ALA 64 H ALA 64 12.983 -3.762 -1.001
525 HA ALA 64 HA ALA 64 13.242 -2.960 1.866
526 1HB ALA 64 2HB ALA 64 10.904 -3.388 1.155
527 2HB ALA 64 1HB ALA 64 11.382 -4.998 0.615
528 3HB ALA 64 3HB ALA 64 11.454 -4.584 2.328
529 H SER 65 H SER 65 12.648 -6.121 1.996
530 HA SER 65 HA SER 65 15.528 -6.854 1.905
531 1HB SER 65 2HB SER 65 13.974 -9.000 2.828
532 2HB SER 65 1HB SER 65 14.826 -7.829 3.830
533 HG SER 65 HG SER 65 12.972 -7.002 4.350
534 H ASP 66 H ASP 66 12.372 -7.807 0.585
535 HA ASP 66 HA ASP 66 13.800 -9.346 -1.557
536 1HB ASP 66 2HB ASP 66 11.764 -10.851 -1.458
537 2HB ASP 66 1HB ASP 66 12.754 -10.881 0.002
538 H LYS 67 H LYS 67 11.885 -6.715 -0.843
539 HA LYS 67 HA LYS 67 10.349 -6.805 -3.410
540 1HB LYS 67 2HB LYS 67 8.938 -6.329 -1.608
541 2HB LYS 67 1HB LYS 67 10.161 -5.375 -0.775
542 1HG LYS 67 2HG LYS 67 9.554 -4.209 -3.361
543 2HG LYS 67 1HG LYS 67 8.086 -4.400 -2.405
544 1HD LYS 67 2HD LYS 67 10.599 -3.195 -1.240
545 2HD LYS 67 1HD LYS 67 9.387 -2.218 -2.066
546 1HE LYS 67 2HE LYS 67 8.974 -3.932 0.403
547 2HE LYS 67 1HE LYS 67 8.836 -2.166 0.283
548 1HZ LYS 67 2HZ LYS 67 7.214 -2.802 -1.655
549 2HZ LYS 67 1HZ LYS 67 7.052 -4.244 -0.771
550 3HZ LYS 67 3HZ LYS 67 6.664 -2.760 -0.048
551 H LEU 68 H LEU 68 12.192 -6.250 -4.752
552 HA LEU 68 HA LEU 68 13.435 -3.579 -4.267
553 1HB LEU 68 2HB LEU 68 14.199 -5.387 -6.526
554 2HB LEU 68 1HB LEU 68 15.223 -4.372 -5.521
555 HG LEU 68 HG LEU 68 14.018 -7.058 -4.835
556 1HD1 LEU 68 1HD1 LEU 68 16.698 -5.949 -5.416
557 2HD1 LEU 68 3HD1 LEU 68 16.628 -7.044 -4.035
558 3HD1 LEU 68 2HD1 LEU 68 16.089 -7.592 -5.622
559 1HD2 LEU 68 1HD2 LEU 68 14.518 -4.787 -3.091
560 2HD2 LEU 68 3HD2 LEU 68 13.790 -6.346 -2.704
561 3HD2 LEU 68 2HD2 LEU 68 15.543 -6.154 -2.656
562 H PHE 69 H PHE 69 10.960 -3.051 -4.871
563 HA PHE 69 HA PHE 69 10.894 -1.586 -7.272
564 1HB PHE 69 2HB PHE 69 11.082 -3.676 -8.455
565 2HB PHE 69 1HB PHE 69 9.884 -4.435 -7.425
566 HD1 PHE 69 HD2 PHE 69 8.860 -1.094 -8.186
567 HD2 PHE 69 HD1 PHE 69 9.065 -5.052 -9.844
568 HE1 PHE 69 HE2 PHE 69 7.071 -0.524 -9.794
569 HE2 PHE 69 HE1 PHE 69 7.282 -4.475 -11.454
570 HZ PHE 69 HZ PHE 69 6.286 -2.203 -11.435
571 H ARG 70 H ARG 70 8.127 -3.733 -6.474
572 HA ARG 70 HA ARG 70 7.115 -1.650 -4.606
573 1HB ARG 70 2HB ARG 70 6.543 -0.788 -6.814
574 2HB ARG 70 1HB ARG 70 5.789 -2.322 -7.239
575 1HG ARG 70 2HG ARG 70 3.906 -1.924 -5.930
576 2HG ARG 70 1HG ARG 70 4.798 -0.963 -4.753
577 1HD ARG 70 2HD ARG 70 3.222 0.387 -6.191
578 2HD ARG 70 1HD ARG 70 4.909 0.921 -6.307
579 HE ARG 70 HE ARG 70 5.066 -0.515 -8.386
580 1HH1 ARG 70 1HH2 ARG 70 2.483 -1.944 -8.202
581 2HH1 ARG 70 2HH2 ARG 70 1.458 -1.024 -9.253
582 1HH2 ARG 70 2HH1 ARG 70 3.546 1.744 -9.301
583 2HH2 ARG 70 1HH1 ARG 70 2.060 1.063 -9.876
584 H ALA 71 H ALA 71 5.250 -2.237 -3.485
585 HA ALA 71 HA ALA 71 4.482 -5.127 -3.630
586 1HB ALA 71 3HB ALA 71 5.177 -3.241 -1.407
587 2HB ALA 71 2HB ALA 71 3.885 -4.400 -1.096
588 3HB ALA 71 1HB ALA 71 5.494 -4.972 -1.537
589 H ASP 72 H ASP 72 2.414 -5.134 -4.523
590 HA ASP 72 HA ASP 72 0.768 -2.686 -4.279
591 1HB ASP 72 2HB ASP 72 1.086 -4.972 -6.067
592 2HB ASP 72 1HB ASP 72 -0.612 -4.655 -5.714
593 H ILE 73 H ILE 73 -1.597 -3.012 -3.757
594 HA ILE 73 HA ILE 73 -2.344 -5.354 -2.165
595 HB ILE 73 HB ILE 73 -0.874 -3.470 -0.877
596 1HG1 ILE 73 2HG1 ILE 73 -1.687 -5.684 -0.038
597 2HG1 ILE 73 1HG1 ILE 73 -1.749 -4.412 1.183
598 1HG2 ILE 73 2HG2 ILE 73 -2.682 -1.748 -1.313
599 2HG2 ILE 73 1HG2 ILE 73 -3.739 -2.696 -0.269
600 3HG2 ILE 73 3HG2 ILE 73 -2.271 -1.970 0.387
601 1HD1 ILE 73 3HD1 ILE 73 -4.116 -5.164 -0.551
602 2HD1 ILE 73 2HD1 ILE 73 -3.831 -5.849 1.049
603 3HD1 ILE 73 1HD1 ILE 73 -4.118 -4.119 0.870
604 H SER 74 H SER 74 -4.369 -5.656 -2.969
605 HA SER 74 HA SER 74 -6.033 -3.243 -3.578
606 1HB SER 74 2HB SER 74 -5.302 -5.543 -5.015
607 2HB SER 74 1HB SER 74 -6.968 -5.850 -4.533
608 HG SER 74 HG SER 74 -6.889 -4.695 -6.486
609 H GLU 75 H GLU 75 -8.162 -3.131 -2.621
610 HA GLU 75 HA GLU 75 -9.303 -5.421 -1.223
611 1HB GLU 75 2HB GLU 75 -7.509 -3.515 0.112
612 2HB GLU 75 1HB GLU 75 -9.052 -3.714 0.942
613 1HG GLU 75 2HG GLU 75 -8.613 -6.272 0.557
614 2HG GLU 75 1HG GLU 75 -6.934 -5.765 0.371
615 H ASP 76 H ASP 76 -11.301 -5.024 -2.067
616 HA ASP 76 HA ASP 76 -12.561 -2.498 -2.485
617 1HB ASP 76 2HB ASP 76 -14.513 -3.911 -2.750
618 2HB ASP 76 1HB ASP 76 -13.099 -4.763 -3.364
619 H TYR 77 H TYR 77 -15.109 -3.123 -1.177
620 HA TYR 77 HA TYR 77 -14.950 -3.296 1.671
621 1HB TYR 77 2HB TYR 77 -13.761 -0.987 0.674
622 2HB TYR 77 1HB TYR 77 -15.371 -0.440 1.143
623 HD1 TYR 77 HD1 TYR 77 -15.994 -2.205 3.415
624 HD2 TYR 77 HD2 TYR 77 -12.325 -0.226 2.378
625 HE1 TYR 77 HE1 TYR 77 -15.308 -2.230 5.798
626 HE2 TYR 77 HE2 TYR 77 -11.639 -0.251 4.762
627 HH TYR 77 HH TYR 77 -12.317 -0.642 6.865
628 H LYS 78 H LYS 78 -16.537 -0.906 -0.469
629 HA LYS 78 HA LYS 78 -19.174 -2.150 0.254
630 1HB LYS 78 2HB LYS 78 -18.590 0.158 1.176
631 2HB LYS 78 1HB LYS 78 -18.622 0.735 -0.492
632 1HG LYS 78 2HG LYS 78 -20.982 -0.658 -0.346
633 2HG LYS 78 1HG LYS 78 -20.858 0.005 1.284
634 1HD LYS 78 2HD LYS 78 -21.838 1.820 0.273
635 2HD LYS 78 1HD LYS 78 -20.159 2.196 -0.115
636 1HE LYS 78 2HE LYS 78 -20.571 0.739 -2.249
637 2HE LYS 78 1HE LYS 78 -22.288 1.033 -1.903
638 1HZ LYS 78 3HZ LYS 78 -21.582 3.444 -1.591
639 2HZ LYS 78 2HZ LYS 78 -20.146 3.016 -2.392
640 3HZ LYS 78 1HZ LYS 78 -21.643 2.862 -3.183
641 H THR 79 H THR 79 -17.142 -0.704 -2.242
642 HA THR 79 HA THR 79 -19.093 -0.814 -4.383
643 HB THR 79 HB THR 79 -16.305 -1.121 -5.178
644 HG1 THR 79 HG1 THR 79 -15.436 -0.105 -3.578
645 1HG2 THR 79 3HG2 THR 79 -18.617 0.562 -5.677
646 2HG2 THR 79 2HG2 THR 79 -17.144 1.524 -5.555
647 3HG2 THR 79 1HG2 THR 79 -17.246 0.212 -6.729
648 H ARG 80 H ARG 80 -17.223 -3.129 -2.693
649 HA ARG 80 HA ARG 80 -17.183 -5.445 -2.844
650 1HB ARG 80 2HB ARG 80 -18.824 -5.134 -5.377
651 2HB ARG 80 1HB ARG 80 -18.783 -6.509 -4.279
652 1HG ARG 80 2HG ARG 80 -20.003 -3.787 -3.793
653 2HG ARG 80 1HG ARG 80 -20.796 -5.361 -3.746
654 1HD ARG 80 2HD ARG 80 -19.393 -5.978 -1.770
655 2HD ARG 80 1HD ARG 80 -18.716 -4.337 -1.780
656 HE ARG 80 HE ARG 80 -21.267 -3.659 -1.710
657 1HH1 ARG 80 1HH2 ARG 80 -22.022 -6.567 -1.218
658 2HH1 ARG 80 2HH2 ARG 80 -22.180 -6.587 0.506
659 1HH2 ARG 80 2HH1 ARG 80 -20.498 -3.588 0.960
660 2HH2 ARG 80 1HH1 ARG 80 -21.317 -4.901 1.740
661 H GLY 81 H GLY 81 -15.128 -5.811 -3.273
662 1HA GLY 81 2HA GLY 81 -14.295 -6.164 -6.096
663 2HA GLY 81 1HA GLY 81 -13.289 -5.144 -5.073
664 H ARG 82 H ARG 82 -11.936 -6.180 -3.443
665 HA ARG 82 HA ARG 82 -12.262 -9.025 -2.873
666 1HB ARG 82 2HB ARG 82 -10.911 -8.073 -5.235
667 2HB ARG 82 1HB ARG 82 -9.788 -8.960 -4.206
668 1HG ARG 82 2HG ARG 82 -12.094 -10.503 -4.111
669 2HG ARG 82 1HG ARG 82 -12.039 -9.957 -5.787
670 1HD ARG 82 2HD ARG 82 -9.686 -10.761 -5.955
671 2HD ARG 82 1HD ARG 82 -9.801 -11.375 -4.294
672 HE ARG 82 HE ARG 82 -11.318 -12.427 -6.626
673 1HH1 ARG 82 1HH2 ARG 82 -12.883 -12.327 -4.005
674 2HH1 ARG 82 2HH2 ARG 82 -12.577 -13.912 -3.376
675 1HH2 ARG 82 2HH1 ARG 82 -9.909 -14.530 -5.504
676 2HH2 ARG 82 1HH1 ARG 82 -10.893 -15.159 -4.224
677 H LYS 83 H LYS 83 -9.585 -9.639 -2.510
678 HA LYS 83 HA LYS 83 -8.369 -7.608 -0.716
679 1HB LYS 83 2HB LYS 83 -9.936 -9.894 0.091
680 2HB LYS 83 1HB LYS 83 -8.261 -10.153 0.578
681 1HG LYS 83 2HG LYS 83 -8.293 -7.811 1.547
682 2HG LYS 83 1HG LYS 83 -10.035 -7.801 1.267
683 1HD LYS 83 2HD LYS 83 -10.304 -9.775 2.692
684 2HD LYS 83 1HD LYS 83 -8.558 -9.867 2.926
685 1HE LYS 83 2HE LYS 83 -8.892 -7.339 3.733
686 2HE LYS 83 1HE LYS 83 -10.522 -7.939 4.100
687 1HZ LYS 83 3HZ LYS 83 -8.050 -9.393 4.860
688 2HZ LYS 83 2HZ LYS 83 -8.832 -8.301 5.901
689 3HZ LYS 83 1HZ LYS 83 -9.635 -9.704 5.379
690 H LEU 84 H LEU 84 -6.233 -7.564 -1.520
691 HA LEU 84 HA LEU 84 -4.733 -10.052 -1.801
692 1HB LEU 84 2HB LEU 84 -4.496 -9.690 -4.322
693 2HB LEU 84 1HB LEU 84 -6.076 -10.253 -3.776
694 HG LEU 84 HG LEU 84 -5.663 -7.309 -3.867
695 1HD1 LEU 84 2HD1 LEU 84 -5.820 -9.090 -6.305
696 2HD1 LEU 84 1HD1 LEU 84 -6.339 -7.405 -6.340
697 3HD1 LEU 84 3HD1 LEU 84 -4.661 -7.803 -5.972
698 1HD2 LEU 84 3HD2 LEU 84 -7.816 -9.278 -3.872
699 2HD2 LEU 84 2HD2 LEU 84 -7.874 -7.564 -3.463
700 3HD2 LEU 84 1HD2 LEU 84 -8.028 -8.075 -5.144
701 H LEU 85 H LEU 85 -2.762 -9.391 -3.450
702 HA LEU 85 HA LEU 85 -1.823 -6.668 -3.308
703 1HB LEU 85 2HB LEU 85 -0.679 -6.705 -1.327
704 2HB LEU 85 1HB LEU 85 -1.709 -8.071 -0.939
705 HG LEU 85 HG LEU 85 0.846 -8.566 -2.446
706 1HD1 LEU 85 3HD1 LEU 85 0.889 -7.132 -0.108
707 2HD1 LEU 85 2HD1 LEU 85 1.041 -8.790 0.457
708 3HD1 LEU 85 1HD1 LEU 85 2.200 -8.152 -0.700
709 1HD2 LEU 85 2HD2 LEU 85 -1.029 -10.055 -0.623
710 2HD2 LEU 85 1HD2 LEU 85 -0.424 -10.526 -2.211
711 3HD2 LEU 85 3HD2 LEU 85 0.636 -10.605 -0.804
712 H ARG 86 H ARG 86 0.693 -6.746 -3.907
713 HA ARG 86 HA ARG 86 1.359 -9.208 -5.424
714 1HB ARG 86 2HB ARG 86 1.504 -6.594 -6.883
715 2HB ARG 86 1HB ARG 86 1.261 -8.216 -7.525
716 1HG ARG 86 2HG ARG 86 -1.023 -8.196 -6.414
717 2HG ARG 86 1HG ARG 86 -0.764 -6.482 -6.091
718 1HD ARG 86 2HD ARG 86 -0.181 -6.439 -8.697
719 2HD ARG 86 1HD ARG 86 -1.242 -7.862 -8.702
720 HE ARG 86 HE ARG 86 -2.461 -5.843 -7.101
721 1HH1 ARG 86 1HH2 ARG 86 -1.354 -6.153 -10.336
722 2HH1 ARG 86 2HH2 ARG 86 -2.750 -5.402 -11.034
723 1HH2 ARG 86 2HH1 ARG 86 -4.395 -5.035 -8.004
724 2HH2 ARG 86 1HH1 ARG 86 -4.471 -4.769 -9.714
725 H PHE 87 H PHE 87 3.569 -9.330 -5.981
726 HA PHE 87 HA PHE 87 5.384 -7.426 -4.550
727 1HB PHE 87 2HB PHE 87 5.906 -10.183 -5.730
728 2HB PHE 87 1HB PHE 87 6.967 -9.286 -4.654
729 HD1 PHE 87 HD2 PHE 87 3.492 -10.731 -4.782
730 HD2 PHE 87 HD1 PHE 87 6.881 -9.695 -2.340
731 HE1 PHE 87 HE2 PHE 87 2.439 -11.860 -2.830
732 HE2 PHE 87 HE1 PHE 87 5.820 -10.836 -0.402
733 HZ PHE 87 HZ PHE 87 3.644 -11.948 -0.688
734 H ASN 88 H ASN 88 5.540 -5.805 -6.194
735 HA ASN 88 HA ASN 88 5.683 -6.375 -9.001
736 1HB ASN 88 2HB ASN 88 5.532 -4.207 -7.229
737 2HB ASN 88 1HB ASN 88 6.996 -3.939 -8.176
738 1HD2 ASN 88 2HD2 ASN 88 3.842 -2.713 -9.983
739 2HD2 ASN 88 1HD2 ASN 88 4.341 -2.508 -8.375
740 H GLY 89 H GLY 89 7.305 -7.193 -10.121
741 1HA GLY 89 2HA GLY 89 9.485 -8.470 -9.827
742 2HA GLY 89 1HA GLY 89 9.645 -7.073 -10.880
743 HA PRO 90 HA PRO 90 11.697 -6.210 -6.619
744 1HB PRO 90 2HB PRO 90 12.852 -8.445 -5.547
745 2HB PRO 90 1HB PRO 90 11.206 -7.922 -5.138
746 1HG PRO 90 2HG PRO 90 12.104 -10.074 -6.977
747 2HG PRO 90 1HG PRO 90 10.699 -10.018 -5.902
748 1HD PRO 90 2HD PRO 90 10.594 -9.601 -8.617
749 2HD PRO 90 1HD PRO 90 9.398 -8.981 -7.458
750 H VAL 91 HN VAL 91 12.944 -5.441 -8.590
751 HA VAL 91 HA VAL 91 15.096 -7.009 -9.709
752 HB VAL 91 HB VAL 91 14.210 -5.180 -10.959
753 1HG1 VAL 91 1HG1 VAL 91 14.545 -3.686 -8.372
754 2HG1 VAL 91 3HG1 VAL 91 14.532 -2.795 -9.894
755 3HG1 VAL 91 2HG1 VAL 91 13.139 -3.773 -9.431
756 1HG2 VAL 91 1HG2 VAL 91 16.904 -5.371 -10.410
757 2HG2 VAL 91 3HG2 VAL 91 16.203 -4.352 -11.667
758 3HG2 VAL 91 2HG2 VAL 91 16.578 -3.669 -10.085
No H/Q in entry = 758
Start of MODEL 9
1 1H GLY 1 1H GLY 1 -10.726 7.591 -9.376
2 2H GLY 1 3H GLY 1 -11.136 5.953 -9.216
3 3H GLY 1 2H GLY 1 -12.306 7.151 -8.934
4 1HA GLY 1 2HA GLY 1 -11.789 7.128 -6.797
5 2HA GLY 1 1HA GLY 1 -10.462 6.009 -7.122
6 H GLU 2 H GLU 2 -9.423 7.392 -5.376
7 HA GLU 2 HA GLU 2 -8.170 9.827 -6.610
8 1HB GLU 2 2HB GLU 2 -8.155 10.740 -4.318
9 2HB GLU 2 1HB GLU 2 -9.794 10.291 -4.789
10 1HG GLU 2 2HG GLU 2 -9.850 9.091 -2.872
11 2HG GLU 2 1HG GLU 2 -8.795 7.947 -3.702
12 H TRP 3 H TRP 3 -5.943 10.251 -5.780
13 HA TRP 3 HA TRP 3 -4.548 7.700 -5.039
14 1HB TRP 3 2HB TRP 3 -2.631 8.741 -6.267
15 2HB TRP 3 1HB TRP 3 -4.054 8.534 -7.288
16 HD1 TRP 3 HD1 TRP 3 -2.547 11.284 -5.015
17 HE1 TRP 3 HE1 TRP 3 -2.995 13.569 -6.121
18 HE3 TRP 3 HE3 TRP 3 -5.210 9.777 -9.102
19 HZ2 TRP 3 HZ2 TRP 3 -4.310 14.618 -8.435
20 HZ3 TRP 3 HZ3 TRP 3 -6.048 11.438 -10.740
21 HH2 TRP 3 HH2 TRP 3 -5.602 13.855 -10.411
22 H GLU 4 H GLU 4 -2.275 8.336 -4.005
23 HA GLU 4 HA GLU 4 -1.946 10.751 -2.529
24 1HB GLU 4 2HB GLU 4 -3.901 10.347 -1.314
25 2HB GLU 4 1HB GLU 4 -3.690 8.598 -1.368
26 1HG GLU 4 2HG GLU 4 -2.504 8.580 0.554
27 2HG GLU 4 1HG GLU 4 -1.508 9.944 0.042
28 H ILE 5 H ILE 5 0.245 10.659 -2.150
29 HA ILE 5 HA ILE 5 1.645 8.091 -2.011
30 HB ILE 5 HB ILE 5 3.561 9.505 -2.235
31 1HG1 ILE 5 2HG1 ILE 5 1.789 11.851 -1.523
32 2HG1 ILE 5 1HG1 ILE 5 2.886 11.066 -0.387
33 1HG2 ILE 5 3HG2 ILE 5 1.280 9.797 -3.904
34 2HG2 ILE 5 2HG2 ILE 5 2.043 11.382 -3.769
35 3HG2 ILE 5 1HG2 ILE 5 2.976 10.000 -4.346
36 1HD1 ILE 5 2HD1 ILE 5 4.549 11.507 -2.516
37 2HD1 ILE 5 1HD1 ILE 5 3.487 12.912 -2.610
38 3HD1 ILE 5 3HD1 ILE 5 4.397 12.593 -1.134
39 H ILE 6 H ILE 6 3.362 7.867 -0.217
40 HA ILE 6 HA ILE 6 2.036 8.316 2.396
41 HB ILE 6 HB ILE 6 3.229 6.488 3.086
42 1HG1 ILE 6 2HG1 ILE 6 5.417 7.451 3.213
43 2HG1 ILE 6 1HG1 ILE 6 5.580 5.973 2.282
44 1HG2 ILE 6 1HG2 ILE 6 2.231 5.963 0.805
45 2HG2 ILE 6 3HG2 ILE 6 3.858 6.136 0.158
46 3HG2 ILE 6 2HG2 ILE 6 3.517 4.887 1.347
47 1HD1 ILE 6 2HD1 ILE 6 5.090 7.728 0.273
48 2HD1 ILE 6 1HD1 ILE 6 5.909 8.791 1.414
49 3HD1 ILE 6 3HD1 ILE 6 6.710 7.332 0.836
50 H ASP 7 H ASP 7 4.204 8.543 4.121
51 HA ASP 7 HA ASP 7 5.622 11.026 3.251
52 1HB ASP 7 2HB ASP 7 4.133 10.583 5.859
53 2HB ASP 7 1HB ASP 7 4.998 12.052 5.403
54 H ILE 8 H ILE 8 6.883 8.567 3.299
55 HA ILE 8 HA ILE 8 8.585 7.284 4.335
56 HB ILE 8 HB ILE 8 9.605 9.432 3.536
57 1HG1 ILE 8 2HG1 ILE 8 11.008 8.816 6.095
58 2HG1 ILE 8 1HG1 ILE 8 10.748 7.477 4.977
59 1HG2 ILE 8 2HG2 ILE 8 8.882 10.249 6.345
60 2HG2 ILE 8 1HG2 ILE 8 10.223 11.017 5.497
61 3HG2 ILE 8 3HG2 ILE 8 8.591 11.115 4.837
62 1HD1 ILE 8 2HD1 ILE 8 11.619 9.357 3.237
63 2HD1 ILE 8 1HD1 ILE 8 12.478 9.873 4.688
64 3HD1 ILE 8 3HD1 ILE 8 12.704 8.239 4.064
65 H GLY 9 H GLY 9 6.323 7.284 5.891
66 1HA GLY 9 2HA GLY 9 7.496 6.974 8.574
67 2HA GLY 9 1HA GLY 9 6.228 8.190 8.465
68 HA PRO 10 HA PRO 10 3.124 5.158 8.757
69 1HB PRO 10 2HB PRO 10 1.390 5.599 6.687
70 2HB PRO 10 1HB PRO 10 1.535 6.680 8.086
71 1HG PRO 10 2HG PRO 10 2.635 6.977 5.346
72 2HG PRO 10 1HG PRO 10 2.001 8.206 6.450
73 1HD PRO 10 2HD PRO 10 4.666 7.749 6.011
74 2HD PRO 10 1HD PRO 10 4.016 8.487 7.485
75 H PHE 11 H PHE 11 2.770 5.109 5.240
76 HA PHE 11 HA PHE 11 2.572 2.397 4.850
77 1HB PHE 11 2HB PHE 11 3.636 4.689 3.286
78 2HB PHE 11 1HB PHE 11 3.970 3.078 2.649
79 HD1 PHE 11 HD2 PHE 11 1.884 1.405 2.786
80 HD2 PHE 11 HD1 PHE 11 1.612 5.690 2.669
81 HE1 PHE 11 HE2 PHE 11 -0.452 1.236 1.971
82 HE2 PHE 11 HE1 PHE 11 -0.723 5.520 1.856
83 HZ PHE 11 HZ PHE 11 -1.755 3.292 1.506
84 H THR 12 H THR 12 5.557 4.135 5.581
85 HA THR 12 HA THR 12 7.480 2.189 4.877
86 HB THR 12 HB THR 12 8.849 3.399 6.409
87 HG1 THR 12 HG1 THR 12 7.418 4.818 7.937
88 1HG2 THR 12 1HG2 THR 12 7.661 4.793 4.568
89 2HG2 THR 12 3HG2 THR 12 6.733 5.468 5.904
90 3HG2 THR 12 2HG2 THR 12 8.484 5.657 5.863
91 H GLN 13 H GLN 13 5.918 2.746 8.001
92 HA GLN 13 HA GLN 13 6.716 0.219 9.153
93 1HB GLN 13 2HB GLN 13 5.034 2.558 9.791
94 2HB GLN 13 1HB GLN 13 4.507 1.060 10.558
95 1HG GLN 13 2HG GLN 13 6.776 0.712 11.455
96 2HG GLN 13 1HG GLN 13 7.313 2.203 10.683
97 1HE2 GLN 13 2HE2 GLN 13 6.541 3.693 13.826
98 2HE2 GLN 13 1HE2 GLN 13 7.795 3.161 12.813
99 H ASN 14 H ASN 14 4.252 1.158 6.974
100 HA ASN 14 HA ASN 14 2.414 -1.050 7.533
101 1HB ASN 14 2HB ASN 14 2.204 1.400 6.384
102 2HB ASN 14 1HB ASN 14 2.370 0.395 4.944
103 1HD2 ASN 14 2HD2 ASN 14 -1.261 0.534 5.847
104 2HD2 ASN 14 1HD2 ASN 14 -0.092 1.690 5.424
105 H LEU 15 H LEU 15 4.431 -0.164 4.775
106 HA LEU 15 HA LEU 15 4.321 -2.355 3.126
107 1HB LEU 15 2HB LEU 15 5.758 -0.618 2.485
108 2HB LEU 15 1HB LEU 15 6.510 -0.525 4.074
109 HG LEU 15 HG LEU 15 6.873 -2.978 2.366
110 1HD1 LEU 15 2HD1 LEU 15 7.757 -0.315 1.722
111 2HD1 LEU 15 1HD1 LEU 15 9.155 -1.303 2.143
112 3HD1 LEU 15 3HD1 LEU 15 8.070 -1.815 0.853
113 1HD2 LEU 15 1HD2 LEU 15 8.058 -1.750 4.800
114 2HD2 LEU 15 3HD2 LEU 15 7.847 -3.450 4.388
115 3HD2 LEU 15 2HD2 LEU 15 9.190 -2.538 3.702
116 H GLY 16 H GLY 16 6.319 -2.102 6.084
117 1HA GLY 16 2HA GLY 16 7.359 -4.779 5.934
118 2HA GLY 16 1HA GLY 16 7.310 -3.787 7.394
119 H LYS 17 H LYS 17 4.510 -3.360 7.511
120 HA LYS 17 HA LYS 17 3.645 -5.868 8.714
121 1HB LYS 17 2HB LYS 17 2.973 -3.064 8.697
122 2HB LYS 17 1HB LYS 17 1.513 -4.031 8.486
123 1HG LYS 17 2HG LYS 17 1.548 -4.301 10.731
124 2HG LYS 17 1HG LYS 17 2.895 -5.406 10.457
125 1HD LYS 17 2HD LYS 17 4.201 -3.023 10.375
126 2HD LYS 17 1HD LYS 17 2.910 -2.639 11.515
127 1HE LYS 17 2HE LYS 17 4.557 -3.520 12.942
128 2HE LYS 17 1HE LYS 17 3.592 -4.968 12.589
129 1HZ LYS 17 1HZ LYS 17 5.917 -4.095 10.962
130 2HZ LYS 17 3HZ LYS 17 6.021 -5.254 12.195
131 3HZ LYS 17 2HZ LYS 17 5.060 -5.555 10.826
132 H PHE 18 H PHE 18 1.944 -3.835 6.389
133 HA PHE 18 HA PHE 18 0.078 -5.575 5.372
134 1HB PHE 18 2HB PHE 18 1.685 -3.321 4.333
135 2HB PHE 18 1HB PHE 18 0.898 -4.311 3.103
136 HD1 PHE 18 HD2 PHE 18 -0.411 -3.839 6.531
137 HD2 PHE 18 HD1 PHE 18 -0.751 -2.686 2.408
138 HE1 PHE 18 HE2 PHE 18 -2.574 -2.728 7.019
139 HE2 PHE 18 HE1 PHE 18 -2.912 -1.574 2.896
140 HZ PHE 18 HZ PHE 18 -3.825 -1.595 5.201
141 H ALA 19 H ALA 19 3.420 -5.341 4.256
142 HA ALA 19 HA ALA 19 3.346 -7.362 2.267
143 1HB ALA 19 3HB ALA 19 5.564 -6.521 4.163
144 2HB ALA 19 2HB ALA 19 5.802 -7.417 2.663
145 3HB ALA 19 1HB ALA 19 5.186 -5.765 2.616
146 H VAL 20 H VAL 20 5.086 -7.906 5.328
147 HA VAL 20 HA VAL 20 5.167 -10.637 5.420
148 HB VAL 20 HB VAL 20 5.992 -8.961 7.113
149 1HG1 VAL 20 3HG1 VAL 20 3.063 -9.004 7.810
150 2HG1 VAL 20 2HG1 VAL 20 4.270 -8.665 9.050
151 3HG1 VAL 20 1HG1 VAL 20 4.140 -7.620 7.637
152 1HG2 VAL 20 1HG2 VAL 20 6.043 -11.406 7.535
153 2HG2 VAL 20 3HG2 VAL 20 5.781 -10.495 9.022
154 3HG2 VAL 20 2HG2 VAL 20 4.428 -11.307 8.235
155 H ASP 21 H ASP 21 2.244 -8.708 5.828
156 HA ASP 21 HA ASP 21 0.680 -11.054 6.725
157 1HB ASP 21 2HB ASP 21 0.303 -8.104 6.367
158 2HB ASP 21 1HB ASP 21 -1.137 -9.122 6.354
159 H GLU 22 H GLU 22 -0.216 -8.688 4.191
160 HA GLU 22 HA GLU 22 -1.662 -10.590 2.678
161 1HB GLU 22 2HB GLU 22 -0.228 -8.059 1.824
162 2HB GLU 22 1HB GLU 22 -1.452 -8.884 0.857
163 1HG GLU 22 2HG GLU 22 -1.816 -7.605 3.578
164 2HG GLU 22 1HG GLU 22 -2.562 -7.114 2.057
165 H GLU 23 H GLU 23 1.753 -9.741 2.567
166 HA GLU 23 HA GLU 23 2.421 -11.268 0.224
167 1HB GLU 23 2HB GLU 23 3.770 -9.477 1.492
168 2HB GLU 23 1HB GLU 23 4.194 -10.762 2.622
169 1HG GLU 23 2HG GLU 23 4.915 -12.095 0.525
170 2HG GLU 23 1HG GLU 23 4.883 -10.539 -0.304
171 H ASN 24 H ASN 24 2.716 -12.067 3.705
172 HA ASN 24 HA ASN 24 3.417 -14.828 3.203
173 1HB ASN 24 2HB ASN 24 3.726 -13.400 5.317
174 2HB ASN 24 1HB ASN 24 2.012 -13.675 5.633
175 1HD2 ASN 24 2HD2 ASN 24 4.619 -16.494 6.711
176 2HD2 ASN 24 1HD2 ASN 24 5.049 -14.893 6.343
177 H LYS 25 H LYS 25 0.367 -13.138 3.951
178 HA LYS 25 HA LYS 25 -1.346 -15.409 3.941
179 1HB LYS 25 2HB LYS 25 -1.655 -12.847 4.509
180 2HB LYS 25 1HB LYS 25 -2.182 -12.756 2.828
181 1HG LYS 25 2HG LYS 25 -3.855 -14.519 3.254
182 2HG LYS 25 1HG LYS 25 -3.329 -14.611 4.936
183 1HD LYS 25 2HD LYS 25 -3.977 -11.883 4.041
184 2HD LYS 25 1HD LYS 25 -5.352 -12.988 4.018
185 1HE LYS 25 2HE LYS 25 -4.731 -13.660 6.390
186 2HE LYS 25 1HE LYS 25 -3.575 -12.312 6.383
187 1HZ LYS 25 1HZ LYS 25 -6.465 -12.077 5.728
188 2HZ LYS 25 3HZ LYS 25 -5.777 -11.640 7.215
189 3HZ LYS 25 2HZ LYS 25 -5.343 -10.803 5.801
190 H ILE 26 H ILE 26 -0.275 -13.320 1.289
191 HA ILE 26 HA ILE 26 -1.853 -14.637 -0.740
192 HB ILE 26 HB ILE 26 -0.645 -12.301 -0.694
193 1HG1 ILE 26 2HG1 ILE 26 -0.696 -12.232 -3.124
194 2HG1 ILE 26 1HG1 ILE 26 -0.599 -13.991 -3.204
195 1HG2 ILE 26 1HG2 ILE 26 1.601 -13.957 -0.736
196 2HG2 ILE 26 3HG2 ILE 26 1.450 -13.393 -2.397
197 3HG2 ILE 26 2HG2 ILE 26 1.575 -12.230 -1.081
198 1HD1 ILE 26 2HD1 ILE 26 -2.818 -12.677 -1.657
199 2HD1 ILE 26 1HD1 ILE 26 -2.942 -12.850 -3.408
200 3HD1 ILE 26 3HD1 ILE 26 -2.778 -14.280 -2.391
201 H GLY 27 H GLY 27 1.046 -15.490 0.876
202 1HA GLY 27 2HA GLY 27 1.728 -17.885 0.599
203 2HA GLY 27 1HA GLY 27 1.495 -17.664 -1.136
204 H GLN 28 H GLN 28 3.205 -15.752 1.360
205 HA GLN 28 HA GLN 28 5.793 -16.268 0.042
206 1HB GLN 28 2HB GLN 28 4.170 -13.773 -0.216
207 2HB GLN 28 1HB GLN 28 5.911 -13.582 -0.016
208 1HG GLN 28 2HG GLN 28 4.512 -15.215 -2.153
209 2HG GLN 28 1HG GLN 28 5.401 -13.711 -2.394
210 1HE2 GLN 28 2HE2 GLN 28 7.469 -17.029 -2.749
211 2HE2 GLN 28 1HE2 GLN 28 5.811 -16.837 -3.056
212 H TYR 29 H TYR 29 6.101 -17.122 2.260
213 HA TYR 29 HA TYR 29 6.295 -15.044 4.396
214 1HB TYR 29 2HB TYR 29 6.270 -16.976 5.891
215 2HB TYR 29 1HB TYR 29 4.962 -17.149 4.720
216 HD1 TYR 29 HD1 TYR 29 5.092 -18.793 2.911
217 HD2 TYR 29 HD2 TYR 29 8.261 -18.386 5.781
218 HE1 TYR 29 HE1 TYR 29 6.046 -20.957 2.164
219 HE2 TYR 29 HE2 TYR 29 9.215 -20.551 5.035
220 HH TYR 29 HH TYR 29 8.020 -22.757 3.805
221 H GLY 30 H GLY 30 8.253 -15.392 2.162
222 1HA GLY 30 2HA GLY 30 10.582 -16.747 2.628
223 2HA GLY 30 1HA GLY 30 10.603 -15.072 2.078
224 H ARG 31 H ARG 31 9.718 -13.685 4.280
225 HA ARG 31 HA ARG 31 10.709 -14.422 6.824
226 1HB ARG 31 2HB ARG 31 12.721 -13.885 4.806
227 2HB ARG 31 1HB ARG 31 12.868 -12.738 6.138
228 1HG ARG 31 2HG ARG 31 13.173 -14.452 7.737
229 2HG ARG 31 1HG ARG 31 12.553 -15.695 6.649
230 1HD ARG 31 2HD ARG 31 14.668 -16.105 5.954
231 2HD ARG 31 1HD ARG 31 14.779 -14.438 5.357
232 HE ARG 31 HE ARG 31 15.439 -15.248 8.164
233 1HH1 ARG 31 1HH2 ARG 31 15.708 -12.939 9.063
234 2HH1 ARG 31 2HH2 ARG 31 16.868 -12.001 8.184
235 1HH2 ARG 31 2HH1 ARG 31 16.920 -14.135 5.453
236 2HH2 ARG 31 1HH1 ARG 31 17.554 -12.677 6.140
237 H LEU 32 H LEU 32 11.829 -11.488 5.210
238 HA LEU 32 HA LEU 32 9.683 -9.934 6.611
239 1HB LEU 32 2HB LEU 32 11.675 -8.241 6.885
240 2HB LEU 32 1HB LEU 32 11.562 -9.615 7.984
241 HG LEU 32 HG LEU 32 13.151 -10.879 6.603
242 1HD1 LEU 32 1HD1 LEU 32 12.752 -8.533 4.799
243 2HD1 LEU 32 3HD1 LEU 32 14.355 -9.267 4.841
244 3HD1 LEU 32 2HD1 LEU 32 12.952 -10.238 4.396
245 1HD2 LEU 32 2HD2 LEU 32 13.947 -8.102 7.483
246 2HD2 LEU 32 1HD2 LEU 32 14.230 -9.634 8.306
247 3HD2 LEU 32 3HD2 LEU 32 15.135 -9.239 6.846
248 H THR 33 H THR 33 9.269 -7.820 5.597
249 HA THR 33 HA THR 33 10.230 -7.637 2.763
250 HB THR 33 HB THR 33 7.601 -6.567 3.016
251 HG1 THR 33 HG1 THR 33 6.732 -8.796 3.618
252 1HG2 THR 33 3HG2 THR 33 8.829 -7.792 1.095
253 2HG2 THR 33 2HG2 THR 33 8.275 -9.274 1.874
254 3HG2 THR 33 1HG2 THR 33 7.102 -8.094 1.288
255 H PHE 34 H PHE 34 11.563 -6.189 4.660
256 HA PHE 34 HA PHE 34 11.083 -3.445 3.856
257 1HB PHE 34 2HB PHE 34 10.237 -2.599 5.955
258 2HB PHE 34 1HB PHE 34 9.226 -3.971 5.506
259 HD1 PHE 34 HD2 PHE 34 10.154 -6.334 6.363
260 HD2 PHE 34 HD1 PHE 34 11.057 -2.524 8.132
261 HE1 PHE 34 HE2 PHE 34 10.731 -7.460 8.497
262 HE2 PHE 34 HE1 PHE 34 11.634 -3.651 10.265
263 HZ PHE 34 HZ PHE 34 11.471 -6.119 10.447
264 H ASN 35 H ASN 35 13.436 -4.585 3.555
265 HA ASN 35 HA ASN 35 15.080 -4.067 5.996
266 1HB ASN 35 2HB ASN 35 15.083 -6.291 4.790
267 2HB ASN 35 1HB ASN 35 15.809 -5.466 3.409
268 1HD2 ASN 35 2HD2 ASN 35 18.932 -4.865 5.152
269 2HD2 ASN 35 1HD2 ASN 35 17.881 -4.130 4.041
270 H LYS 36 H LYS 36 14.573 -2.975 2.671
271 HA LYS 36 HA LYS 36 17.028 -1.313 2.802
272 1HB LYS 36 2HB LYS 36 15.451 -2.614 0.786
273 2HB LYS 36 1HB LYS 36 15.580 -0.897 0.400
274 1HG LYS 36 2HG LYS 36 17.527 -1.738 -0.569
275 2HG LYS 36 1HG LYS 36 18.108 -1.231 1.017
276 1HD LYS 36 2HD LYS 36 17.095 -3.868 1.314
277 2HD LYS 36 1HD LYS 36 18.116 -3.866 -0.124
278 1HE LYS 36 2HE LYS 36 19.216 -2.389 2.205
279 2HE LYS 36 1HE LYS 36 19.122 -4.153 2.383
280 1HZ LYS 36 2HZ LYS 36 20.000 -3.167 -0.208
281 2HZ LYS 36 1HZ LYS 36 21.093 -2.939 1.073
282 3HZ LYS 36 3HZ LYS 36 20.552 -4.499 0.690
283 H VAL 37 H VAL 37 14.096 -0.201 1.137
284 HA VAL 37 HA VAL 37 13.503 1.791 3.230
285 HB VAL 37 HB VAL 37 15.027 2.333 0.690
286 1HG1 VAL 37 1HG1 VAL 37 13.419 4.363 2.272
287 2HG1 VAL 37 3HG1 VAL 37 14.547 4.742 0.971
288 3HG1 VAL 37 2HG1 VAL 37 13.075 3.836 0.624
289 1HG2 VAL 37 1HG2 VAL 37 15.316 2.909 3.627
290 2HG2 VAL 37 3HG2 VAL 37 16.483 2.192 2.516
291 3HG2 VAL 37 2HG2 VAL 37 16.151 3.922 2.450
292 H ILE 38 H ILE 38 11.822 3.411 2.344
293 HA ILE 38 HA ILE 38 10.092 2.209 0.208
294 HB ILE 38 HB ILE 38 9.241 1.482 2.358
295 1HG1 ILE 38 2HG1 ILE 38 7.810 3.319 0.653
296 2HG1 ILE 38 1HG1 ILE 38 7.189 1.929 1.530
297 1HG2 ILE 38 3HG2 ILE 38 9.694 4.366 3.156
298 2HG2 ILE 38 2HG2 ILE 38 8.663 3.293 4.093
299 3HG2 ILE 38 1HG2 ILE 38 10.368 2.912 3.887
300 1HD1 ILE 38 1HD1 ILE 38 6.999 3.380 3.569
301 2HD1 ILE 38 3HD1 ILE 38 7.459 4.761 2.576
302 3HD1 ILE 38 2HD1 ILE 38 5.961 3.891 2.242
303 H ARG 39 H ARG 39 11.047 4.023 -1.090
304 HA ARG 39 HA ARG 39 10.185 6.741 -0.216
305 1HB ARG 39 2HB ARG 39 12.453 5.595 -1.514
306 2HB ARG 39 1HB ARG 39 11.703 6.726 -2.640
307 1HG ARG 39 2HG ARG 39 12.585 8.442 -1.487
308 2HG ARG 39 1HG ARG 39 11.665 7.944 -0.066
309 1HD ARG 39 2HD ARG 39 13.500 6.299 0.469
310 2HD ARG 39 1HD ARG 39 14.446 7.011 -0.854
311 HE ARG 39 HE ARG 39 13.379 9.010 0.986
312 1HH1 ARG 39 1HH2 ARG 39 16.118 8.212 -0.593
313 2HH1 ARG 39 2HH2 ARG 39 17.212 8.431 0.732
314 1HH2 ARG 39 2HH1 ARG 39 14.701 8.683 3.110
315 2HH2 ARG 39 1HH1 ARG 39 16.409 8.697 2.828
316 HA PRO 40 HA PRO 40 8.250 6.571 -4.494
317 1HB PRO 40 2HB PRO 40 8.625 4.400 -6.124
318 2HB PRO 40 1HB PRO 40 9.721 5.792 -6.074
319 1HG PRO 40 2HG PRO 40 10.080 3.085 -4.986
320 2HG PRO 40 1HG PRO 40 11.283 4.274 -5.484
321 1HD PRO 40 2HD PRO 40 10.514 3.665 -2.840
322 2HD PRO 40 1HD PRO 40 11.541 5.010 -3.374
323 H CYS 41 H CYS 41 7.113 5.531 -2.193
324 HA CYS 41 HA CYS 41 5.339 3.317 -3.145
325 1HB CYS 41 2HB CYS 41 4.803 3.161 -0.695
326 2HB CYS 41 1HB CYS 41 6.517 2.935 -1.044
327 HG CYS 41 HG CYS 41 6.966 5.373 -0.237
328 H MET 42 H MET 42 3.366 3.954 -3.887
329 HA MET 42 HA MET 42 2.227 6.542 -2.879
330 1HB MET 42 2HB MET 42 2.157 5.103 -5.539
331 2HB MET 42 1HB MET 42 1.038 6.414 -5.161
332 1HG MET 42 2HG MET 42 2.773 7.602 -6.155
333 2HG MET 42 1HG MET 42 3.248 7.682 -4.457
334 1HE MET 42 3HE MET 42 4.829 8.379 -6.587
335 2HE MET 42 2HE MET 42 6.223 7.957 -5.595
336 3HE MET 42 1HE MET 42 6.081 7.304 -7.224
337 H LYS 43 H LYS 43 -0.138 6.560 -2.635
338 HA LYS 43 HA LYS 43 -1.331 3.824 -2.382
339 1HB LYS 43 2HB LYS 43 -0.824 4.527 -0.173
340 2HB LYS 43 1HB LYS 43 -1.315 6.187 -0.503
341 1HG LYS 43 2HG LYS 43 -3.337 3.993 -0.795
342 2HG LYS 43 1HG LYS 43 -2.930 4.572 0.819
343 1HD LYS 43 2HD LYS 43 -3.283 6.829 -0.923
344 2HD LYS 43 1HD LYS 43 -4.692 5.775 -1.049
345 1HE LYS 43 2HE LYS 43 -4.606 5.713 1.558
346 2HE LYS 43 1HE LYS 43 -3.599 7.166 1.395
347 1HZ LYS 43 2HZ LYS 43 -6.252 6.769 0.111
348 2HZ LYS 43 1HZ LYS 43 -5.973 7.716 1.493
349 3HZ LYS 43 3HZ LYS 43 -5.289 8.166 0.007
350 H LYS 44 H LYS 44 -3.247 3.626 -3.464
351 HA LYS 44 HA LYS 44 -4.766 6.134 -4.088
352 1HB LYS 44 2HB LYS 44 -3.866 3.840 -5.837
353 2HB LYS 44 1HB LYS 44 -5.245 4.839 -6.299
354 1HG LYS 44 2HG LYS 44 -3.947 6.694 -6.693
355 2HG LYS 44 1HG LYS 44 -2.772 6.266 -5.449
356 1HD LYS 44 2HD LYS 44 -2.109 4.315 -6.995
357 2HD LYS 44 1HD LYS 44 -3.012 5.163 -8.250
358 1HE LYS 44 2HE LYS 44 -1.003 6.721 -6.652
359 2HE LYS 44 1HE LYS 44 -0.424 5.646 -7.942
360 1HZ LYS 44 1HZ LYS 44 -2.695 7.494 -8.364
361 2HZ LYS 44 3HZ LYS 44 -1.095 7.997 -8.613
362 3HZ LYS 44 2HZ LYS 44 -1.733 6.718 -9.529
363 H THR 45 H THR 45 -6.846 5.955 -3.348
364 HA THR 45 HA THR 45 -7.981 3.190 -3.039
365 HB THR 45 HB THR 45 -8.138 5.660 -1.288
366 HG1 THR 45 HG1 THR 45 -7.369 3.014 -0.667
367 1HG2 THR 45 1HG2 THR 45 -9.823 3.217 -1.438
368 2HG2 THR 45 3HG2 THR 45 -9.465 3.866 0.153
369 3HG2 THR 45 2HG2 THR 45 -10.298 4.858 -1.042
370 H ILE 46 H ILE 46 -10.427 3.169 -3.062
371 HA ILE 46 HA ILE 46 -11.559 5.423 -4.696
372 HB ILE 46 HB ILE 46 -11.139 3.459 -6.099
373 1HG1 ILE 46 2HG1 ILE 46 -13.856 2.766 -6.030
374 2HG1 ILE 46 1HG1 ILE 46 -13.803 4.426 -5.435
375 1HG2 ILE 46 3HG2 ILE 46 -12.531 2.024 -3.829
376 2HG2 ILE 46 2HG2 ILE 46 -12.337 1.298 -5.424
377 3HG2 ILE 46 1HG2 ILE 46 -10.916 1.725 -4.471
378 1HD1 ILE 46 2HD1 ILE 46 -12.003 4.269 -7.628
379 2HD1 ILE 46 1HD1 ILE 46 -13.504 3.492 -8.132
380 3HD1 ILE 46 3HD1 ILE 46 -13.527 5.154 -7.542
381 H TYR 47 H TYR 47 -11.692 5.481 -2.006
382 HA TYR 47 HA TYR 47 -13.834 4.014 -0.802
383 1HB TYR 47 2HB TYR 47 -13.516 5.783 0.977
384 2HB TYR 47 1HB TYR 47 -12.032 4.976 0.484
385 HD1 TYR 47 HD2 TYR 47 -14.120 7.920 -0.581
386 HD2 TYR 47 HD1 TYR 47 -10.187 6.323 0.067
387 HE1 TYR 47 HE2 TYR 47 -13.132 10.103 -1.210
388 HE2 TYR 47 HE1 TYR 47 -9.198 8.507 -0.560
389 HH TYR 47 HH TYR 47 -9.629 10.516 -1.503
390 H GLU 48 H GLU 48 -15.260 5.998 0.494
391 HA GLU 48 HA GLU 48 -17.440 6.484 -1.281
392 1HB GLU 48 2HB GLU 48 -18.421 7.203 0.707
393 2HB GLU 48 1HB GLU 48 -17.087 6.216 1.297
394 1HG GLU 48 2HG GLU 48 -15.877 8.667 1.025
395 2HG GLU 48 1HG GLU 48 -17.501 9.117 1.544
396 H ASN 49 H ASN 49 -18.054 9.171 -0.242
397 HA ASN 49 HA ASN 49 -16.045 10.975 -1.446
398 1HB ASN 49 2HB ASN 49 -18.144 9.805 -2.958
399 2HB ASN 49 1HB ASN 49 -18.593 11.491 -2.699
400 1HD2 ASN 49 2HD2 ASN 49 -16.542 11.966 -5.606
401 2HD2 ASN 49 1HD2 ASN 49 -18.147 11.747 -5.097
402 H GLU 50 H GLU 50 -19.267 10.512 -0.025
403 HA GLU 50 HA GLU 50 -18.957 13.175 1.306
404 1HB GLU 50 2HB GLU 50 -20.791 12.405 -0.665
405 2HB GLU 50 1HB GLU 50 -21.706 12.332 0.841
406 1HG GLU 50 2HG GLU 50 -21.778 14.591 -0.233
407 2HG GLU 50 1HG GLU 50 -21.080 14.621 1.388
408 H ARG 51 H ARG 51 -20.199 9.839 1.496
409 HA ARG 51 HA ARG 51 -19.883 9.836 4.396
410 1HB ARG 51 2HB ARG 51 -22.391 9.590 4.787
411 2HB ARG 51 1HB ARG 51 -21.834 11.203 4.342
412 1HG ARG 51 2HG ARG 51 -23.265 11.165 2.606
413 2HG ARG 51 1HG ARG 51 -22.326 9.844 1.913
414 1HD ARG 51 2HD ARG 51 -23.978 8.361 2.361
415 2HD ARG 51 1HD ARG 51 -24.043 8.879 4.058
416 HE ARG 51 HE ARG 51 -25.202 10.847 2.253
417 1HH1 ARG 51 1HH2 ARG 51 -26.510 10.840 4.715
418 2HH1 ARG 51 2HH2 ARG 51 -27.872 9.785 4.536
419 1HH2 ARG 51 2HH1 ARG 51 -26.624 8.222 1.704
420 2HH2 ARG 51 1HH1 ARG 51 -27.936 8.302 2.832
421 H GLU 52 H GLU 52 -19.605 8.122 1.781
422 HA GLU 52 HA GLU 52 -20.928 5.637 2.833
423 1HB GLU 52 2HB GLU 52 -19.804 6.132 0.072
424 2HB GLU 52 1HB GLU 52 -20.983 4.915 0.561
425 1HG GLU 52 2HG GLU 52 -22.386 7.025 1.311
426 2HG GLU 52 1HG GLU 52 -21.363 7.857 0.138
427 H ILE 53 H ILE 53 -19.301 3.997 1.125
428 HA ILE 53 HA ILE 53 -16.469 4.316 1.821
429 HB ILE 53 HB ILE 53 -18.338 2.458 3.308
430 1HG1 ILE 53 2HG1 ILE 53 -16.354 3.326 5.011
431 2HG1 ILE 53 1HG1 ILE 53 -16.529 4.701 3.923
432 1HG2 ILE 53 2HG2 ILE 53 -15.508 1.988 2.499
433 2HG2 ILE 53 1HG2 ILE 53 -15.947 1.579 4.158
434 3HG2 ILE 53 3HG2 ILE 53 -16.795 0.823 2.809
435 1HD1 ILE 53 1HD1 ILE 53 -19.144 4.086 4.372
436 2HD1 ILE 53 3HD1 ILE 53 -18.432 3.612 5.913
437 3HD1 ILE 53 2HD1 ILE 53 -18.242 5.264 5.325
438 H LYS 54 H LYS 54 -15.310 3.208 0.209
439 HA LYS 54 HA LYS 54 -16.870 1.113 -1.275
440 1HB LYS 54 2HB LYS 54 -15.620 3.579 -2.101
441 2HB LYS 54 1HB LYS 54 -14.965 2.204 -2.995
442 1HG LYS 54 2HG LYS 54 -16.935 1.761 -4.041
443 2HG LYS 54 1HG LYS 54 -17.894 2.168 -2.618
444 1HD LYS 54 2HD LYS 54 -18.449 4.018 -3.835
445 2HD LYS 54 1HD LYS 54 -16.894 4.619 -3.255
446 1HE LYS 54 2HE LYS 54 -15.918 3.395 -5.362
447 2HE LYS 54 1HE LYS 54 -17.586 3.491 -5.959
448 1HZ LYS 54 2HZ LYS 54 -17.453 5.903 -5.111
449 2HZ LYS 54 1HZ LYS 54 -15.771 5.684 -5.189
450 3HZ LYS 54 3HZ LYS 54 -16.711 5.525 -6.591
451 H GLY 55 H GLY 55 -13.379 2.075 -1.583
452 1HA GLY 55 2HA GLY 55 -12.622 -0.552 -0.454
453 2HA GLY 55 1HA GLY 55 -12.344 -0.371 -2.185
454 H TYR 56 H TYR 56 -10.066 -0.778 -1.173
455 HA TYR 56 HA TYR 56 -8.674 1.803 -1.169
456 1HB TYR 56 2HB TYR 56 -9.509 1.569 1.146
457 2HB TYR 56 1HB TYR 56 -8.724 -0.004 1.268
458 HD1 TYR 56 HD2 TYR 56 -6.161 -0.080 0.833
459 HD2 TYR 56 HD1 TYR 56 -8.333 3.519 1.715
460 HE1 TYR 56 HE2 TYR 56 -4.050 1.025 1.520
461 HE2 TYR 56 HE1 TYR 56 -6.222 4.624 2.404
462 HH TYR 56 HH TYR 56 -3.748 3.428 3.344
463 H GLU 57 H GLU 57 -7.146 1.213 -2.681
464 HA GLU 57 HA GLU 57 -5.554 -1.280 -2.150
465 1HB GLU 57 2HB GLU 57 -5.448 -1.556 -4.581
466 2HB GLU 57 1HB GLU 57 -7.139 -1.395 -4.102
467 1HG GLU 57 2HG GLU 57 -7.132 0.154 -5.798
468 2HG GLU 57 1HG GLU 57 -6.574 1.203 -4.494
469 H TYR 58 H TYR 58 -3.323 -0.982 -3.513
470 HA TYR 58 HA TYR 58 -2.509 1.833 -3.761
471 1HB TYR 58 2HB TYR 58 -1.462 2.129 -1.750
472 2HB TYR 58 1HB TYR 58 -2.676 0.970 -1.244
473 HD1 TYR 58 HD1 TYR 58 -1.356 -1.503 -2.613
474 HD2 TYR 58 HD2 TYR 58 0.218 1.624 -0.126
475 HE1 TYR 58 HE1 TYR 58 0.399 -3.033 -1.785
476 HE2 TYR 58 HE2 TYR 58 1.966 0.089 0.699
477 HH TYR 58 HH TYR 58 2.469 -2.196 0.879
478 H GLN 59 H GLN 59 -0.086 2.056 -3.896
479 HA GLN 59 HA GLN 59 1.204 -0.290 -5.238
480 1HB GLN 59 2HB GLN 59 0.681 1.137 -7.039
481 2HB GLN 59 1HB GLN 59 0.821 2.589 -6.051
482 1HG GLN 59 2HG GLN 59 3.200 2.511 -6.085
483 2HG GLN 59 1HG GLN 59 3.212 0.857 -6.696
484 1HE2 GLN 59 2HE2 GLN 59 1.850 3.602 -9.432
485 2HE2 GLN 59 1HE2 GLN 59 1.217 3.608 -7.856
486 H LEU 60 H LEU 60 3.098 -0.747 -4.126
487 HA LEU 60 HA LEU 60 4.284 1.432 -2.454
488 1HB LEU 60 2HB LEU 60 3.146 -0.409 -1.259
489 2HB LEU 60 1HB LEU 60 4.186 -1.577 -2.062
490 HG LEU 60 HG LEU 60 6.152 -0.254 -1.055
491 1HD1 LEU 60 2HD1 LEU 60 4.085 1.453 -0.284
492 2HD1 LEU 60 1HD1 LEU 60 4.496 0.591 1.199
493 3HD1 LEU 60 3HD1 LEU 60 5.740 1.489 0.329
494 1HD2 LEU 60 2HD2 LEU 60 4.748 -2.429 -0.180
495 2HD2 LEU 60 1HD2 LEU 60 6.205 -1.825 0.604
496 3HD2 LEU 60 3HD2 LEU 60 4.619 -1.366 1.220
497 H TYR 61 H TYR 61 5.386 1.727 -4.734
498 HA TYR 61 HA TYR 61 7.360 -0.209 -5.536
499 1HB TYR 61 2HB TYR 61 6.136 1.848 -6.672
500 2HB TYR 61 1HB TYR 61 7.571 2.700 -6.109
501 HD1 TYR 61 HD1 TYR 61 9.880 1.688 -6.683
502 HD2 TYR 61 HD2 TYR 61 6.226 0.552 -8.634
503 HE1 TYR 61 HE1 TYR 61 11.181 0.760 -8.580
504 HE2 TYR 61 HE2 TYR 61 7.528 -0.376 -10.532
505 HH TYR 61 HH TYR 61 10.741 0.308 -11.063
506 H VAL 62 H VAL 62 8.931 -0.749 -4.077
507 HA VAL 62 HA VAL 62 10.741 1.333 -3.004
508 HB VAL 62 HB VAL 62 10.263 0.617 -0.675
509 1HG1 VAL 62 3HG1 VAL 62 9.010 2.526 -1.828
510 2HG1 VAL 62 2HG1 VAL 62 7.670 1.394 -2.022
511 3HG1 VAL 62 1HG1 VAL 62 8.228 1.832 -0.409
512 1HG2 VAL 62 3HG2 VAL 62 8.444 -1.237 -2.152
513 2HG2 VAL 62 2HG2 VAL 62 9.425 -1.536 -0.716
514 3HG2 VAL 62 1HG2 VAL 62 7.913 -0.638 -0.581
515 H TYR 63 H TYR 63 11.741 -0.438 -0.990
516 HA TYR 63 HA TYR 63 12.381 -2.971 -2.345
517 1HB TYR 63 2HB TYR 63 13.951 -1.370 -3.333
518 2HB TYR 63 1HB TYR 63 14.472 -0.872 -1.722
519 HD1 TYR 63 HD2 TYR 63 13.605 -4.361 -1.915
520 HD2 TYR 63 HD1 TYR 63 16.789 -1.564 -2.626
521 HE1 TYR 63 HE2 TYR 63 15.248 -6.216 -1.866
522 HE2 TYR 63 HE1 TYR 63 18.430 -3.422 -2.579
523 HH TYR 63 HH TYR 63 18.413 -5.901 -2.971
524 H ALA 64 H ALA 64 12.164 -4.420 -0.730
525 HA ALA 64 HA ALA 64 12.953 -3.624 2.037
526 1HB ALA 64 3HB ALA 64 11.057 -5.550 0.756
527 2HB ALA 64 2HB ALA 64 11.635 -5.884 2.387
528 3HB ALA 64 1HB ALA 64 10.758 -4.392 2.052
529 H SER 65 H SER 65 12.714 -6.962 1.350
530 HA SER 65 HA SER 65 15.698 -7.229 1.322
531 1HB SER 65 2HB SER 65 14.494 -7.874 3.437
532 2HB SER 65 1HB SER 65 13.597 -9.074 2.510
533 HG SER 65 HG SER 65 15.458 -10.180 2.147
534 H ASP 66 H ASP 66 12.611 -8.235 0.010
535 HA ASP 66 HA ASP 66 14.039 -9.736 -2.146
536 1HB ASP 66 2HB ASP 66 12.190 -11.437 -1.943
537 2HB ASP 66 1HB ASP 66 13.218 -11.348 -0.513
538 H LYS 67 H LYS 67 12.132 -7.175 -1.435
539 HA LYS 67 HA LYS 67 10.349 -7.476 -3.828
540 1HB LYS 67 2HB LYS 67 9.094 -7.035 -1.885
541 2HB LYS 67 1HB LYS 67 10.293 -5.902 -1.262
542 1HG LYS 67 2HG LYS 67 9.385 -4.963 -3.821
543 2HG LYS 67 1HG LYS 67 7.984 -5.309 -2.811
544 1HD LYS 67 2HD LYS 67 10.336 -3.754 -1.747
545 2HD LYS 67 1HD LYS 67 9.021 -2.959 -2.613
546 1HE LYS 67 2HE LYS 67 7.887 -2.906 -0.649
547 2HE LYS 67 1HE LYS 67 7.749 -4.668 -0.771
548 1HZ LYS 67 2HZ LYS 67 10.356 -3.829 0.059
549 2HZ LYS 67 1HZ LYS 67 9.152 -3.313 1.137
550 3HZ LYS 67 3HZ LYS 67 9.305 -4.959 0.770
551 H LEU 68 H LEU 68 12.093 -6.897 -5.295
552 HA LEU 68 HA LEU 68 13.348 -4.225 -5.056
553 1HB LEU 68 2HB LEU 68 13.936 -6.728 -6.220
554 2HB LEU 68 1HB LEU 68 13.695 -5.623 -7.574
555 HG LEU 68 HG LEU 68 15.265 -4.010 -6.445
556 1HD1 LEU 68 1HD1 LEU 68 15.104 -6.106 -4.402
557 2HD1 LEU 68 3HD1 LEU 68 16.762 -5.668 -4.808
558 3HD1 LEU 68 2HD1 LEU 68 15.635 -4.431 -4.252
559 1HD2 LEU 68 2HD2 LEU 68 15.825 -6.403 -7.880
560 2HD2 LEU 68 1HD2 LEU 68 16.799 -4.934 -7.812
561 3HD2 LEU 68 3HD2 LEU 68 17.079 -6.232 -6.652
562 H PHE 69 H PHE 69 10.779 -3.542 -5.178
563 HA PHE 69 HA PHE 69 10.423 -2.036 -7.514
564 1HB PHE 69 2HB PHE 69 8.610 -3.626 -8.552
565 2HB PHE 69 1HB PHE 69 10.305 -3.893 -8.896
566 HD1 PHE 69 HD2 PHE 69 8.645 -4.648 -5.649
567 HD2 PHE 69 HD1 PHE 69 10.280 -6.250 -9.286
568 HE1 PHE 69 HE2 PHE 69 8.522 -6.930 -4.699
569 HE2 PHE 69 HE1 PHE 69 10.158 -8.534 -8.331
570 HZ PHE 69 HZ PHE 69 9.280 -8.874 -6.037
571 H ARG 70 H ARG 70 7.452 -3.656 -7.171
572 HA ARG 70 HA ARG 70 6.656 -1.744 -5.002
573 1HB ARG 70 2HB ARG 70 5.945 -0.965 -7.193
574 2HB ARG 70 1HB ARG 70 5.243 -2.540 -7.554
575 1HG ARG 70 2HG ARG 70 3.869 -2.071 -5.308
576 2HG ARG 70 1HG ARG 70 4.213 -0.390 -5.718
577 1HD ARG 70 2HD ARG 70 2.769 -2.441 -7.428
578 2HD ARG 70 1HD ARG 70 2.134 -0.907 -6.800
579 HE ARG 70 HE ARG 70 4.138 0.092 -8.202
580 1HH1 ARG 70 2HH1 ARG 70 5.064 -2.072 -9.753
581 2HH1 ARG 70 1HH1 ARG 70 3.998 -2.158 -11.116
582 1HH2 ARG 70 1HH2 ARG 70 1.510 -0.257 -9.625
583 2HH2 ARG 70 2HH2 ARG 70 1.985 -1.131 -11.042
584 H ALA 71 H ALA 71 5.159 -2.387 -3.561
585 HA ALA 71 HA ALA 71 4.342 -5.261 -3.597
586 1HB ALA 71 1HB ALA 71 5.439 -3.456 -1.633
587 2HB ALA 71 3HB ALA 71 3.822 -3.932 -1.115
588 3HB ALA 71 2HB ALA 71 5.043 -5.163 -1.432
589 H ASP 72 H ASP 72 2.379 -5.137 -4.757
590 HA ASP 72 HA ASP 72 0.583 -2.842 -4.398
591 1HB ASP 72 2HB ASP 72 0.872 -3.866 -6.576
592 2HB ASP 72 1HB ASP 72 0.455 -5.455 -5.934
593 H ILE 73 H ILE 73 -1.591 -3.042 -3.587
594 HA ILE 73 HA ILE 73 -2.420 -5.512 -2.229
595 HB ILE 73 HB ILE 73 -0.795 -3.994 -0.771
596 1HG1 ILE 73 2HG1 ILE 73 -1.993 -6.050 -0.037
597 2HG1 ILE 73 1HG1 ILE 73 -1.918 -4.828 1.233
598 1HG2 ILE 73 3HG2 ILE 73 -2.675 -2.095 -1.243
599 2HG2 ILE 73 2HG2 ILE 73 -3.309 -2.789 0.247
600 3HG2 ILE 73 1HG2 ILE 73 -1.678 -2.122 0.209
601 1HD1 ILE 73 2HD1 ILE 73 -4.246 -4.204 -0.178
602 2HD1 ILE 73 1HD1 ILE 73 -4.249 -5.966 -0.093
603 3HD1 ILE 73 3HD1 ILE 73 -4.162 -5.013 1.388
604 H SER 74 H SER 74 -4.670 -5.552 -2.000
605 HA SER 74 HA SER 74 -6.108 -3.041 -2.795
606 1HB SER 74 2HB SER 74 -5.761 -5.154 -4.399
607 2HB SER 74 1HB SER 74 -7.115 -5.795 -3.474
608 HG SER 74 HG SER 74 -6.980 -3.444 -5.047
609 H GLU 75 H GLU 75 -8.380 -2.966 -1.877
610 HA GLU 75 HA GLU 75 -9.204 -5.002 0.042
611 1HB GLU 75 2HB GLU 75 -7.320 -3.072 0.845
612 2HB GLU 75 1HB GLU 75 -8.848 -2.566 1.566
613 1HG GLU 75 2HG GLU 75 -8.251 -5.466 1.725
614 2HG GLU 75 1HG GLU 75 -7.216 -4.417 2.694
615 H ASP 76 H ASP 76 -11.299 -4.953 -0.674
616 HA ASP 76 HA ASP 76 -12.832 -2.749 -1.544
617 1HB ASP 76 2HB ASP 76 -14.718 -4.262 -1.089
618 2HB ASP 76 1HB ASP 76 -13.363 -5.174 -1.758
619 H TYR 77 H TYR 77 -15.120 -2.560 0.019
620 HA TYR 77 HA TYR 77 -14.359 -1.992 2.813
621 1HB TYR 77 2HB TYR 77 -13.786 -0.090 0.908
622 2HB TYR 77 1HB TYR 77 -15.370 0.430 1.479
623 HD1 TYR 77 HD1 TYR 77 -14.963 -0.881 4.300
624 HD2 TYR 77 HD2 TYR 77 -12.610 1.809 1.917
625 HE1 TYR 77 HE1 TYR 77 -13.915 0.024 6.358
626 HE2 TYR 77 HE2 TYR 77 -11.562 2.714 3.975
627 HH TYR 77 HH TYR 77 -11.696 2.780 6.229
628 H LYS 78 H LYS 78 -16.780 -1.075 0.325
629 HA LYS 78 HA LYS 78 -18.885 -2.119 2.167
630 1HB LYS 78 2HB LYS 78 -18.411 0.513 1.948
631 2HB LYS 78 1HB LYS 78 -19.427 0.312 0.521
632 1HG LYS 78 2HG LYS 78 -20.897 0.847 2.343
633 2HG LYS 78 1HG LYS 78 -21.104 -0.872 2.008
634 1HD LYS 78 2HD LYS 78 -19.139 -1.080 3.805
635 2HD LYS 78 1HD LYS 78 -19.807 0.460 4.345
636 1HE LYS 78 2HE LYS 78 -21.275 -2.186 4.094
637 2HE LYS 78 1HE LYS 78 -21.002 -1.233 5.567
638 1HZ LYS 78 3HZ LYS 78 -22.128 0.634 4.211
639 2HZ LYS 78 2HZ LYS 78 -22.753 -0.635 3.272
640 3HZ LYS 78 1HZ LYS 78 -23.103 -0.552 4.932
641 H THR 79 H THR 79 -17.979 -1.120 -1.099
642 HA THR 79 HA THR 79 -20.270 -2.458 -2.335
643 HB THR 79 HB THR 79 -18.227 -2.092 -4.222
644 HG1 THR 79 HG1 THR 79 -16.892 -0.988 -2.929
645 1HG2 THR 79 1HG2 THR 79 -20.669 -1.433 -4.299
646 2HG2 THR 79 3HG2 THR 79 -20.240 -0.004 -3.358
647 3HG2 THR 79 2HG2 THR 79 -19.560 -0.236 -4.969
648 H ARG 80 H ARG 80 -16.764 -2.978 -2.462
649 HA ARG 80 HA ARG 80 -16.314 -5.464 -1.540
650 1HB ARG 80 2HB ARG 80 -16.751 -7.006 -3.542
651 2HB ARG 80 1HB ARG 80 -18.174 -6.470 -2.666
652 1HG ARG 80 2HG ARG 80 -18.582 -6.298 -5.069
653 2HG ARG 80 1HG ARG 80 -18.508 -4.679 -4.404
654 1HD ARG 80 2HD ARG 80 -15.933 -5.805 -5.367
655 2HD ARG 80 1HD ARG 80 -17.128 -5.383 -6.598
656 HE ARG 80 HE ARG 80 -16.435 -3.415 -4.464
657 1HH1 ARG 80 1HH2 ARG 80 -15.901 -4.423 -7.668
658 2HH1 ARG 80 2HH2 ARG 80 -16.002 -2.833 -8.348
659 1HH2 ARG 80 2HH1 ARG 80 -16.934 -1.329 -5.366
660 2HH2 ARG 80 1HH1 ARG 80 -16.587 -1.082 -7.045
661 H GLY 81 H GLY 81 -14.998 -3.037 -2.801
662 1HA GLY 81 2HA GLY 81 -13.433 -3.098 -4.923
663 2HA GLY 81 1HA GLY 81 -12.648 -2.890 -3.363
664 H ARG 82 H ARG 82 -11.404 -4.616 -2.528
665 HA ARG 82 HA ARG 82 -11.496 -7.270 -3.751
666 1HB ARG 82 2HB ARG 82 -9.823 -5.122 -4.760
667 2HB ARG 82 1HB ARG 82 -8.847 -6.491 -4.230
668 1HG ARG 82 2HG ARG 82 -10.639 -7.907 -5.540
669 2HG ARG 82 1HG ARG 82 -10.945 -6.382 -6.374
670 1HD ARG 82 2HD ARG 82 -8.216 -6.438 -6.443
671 2HD ARG 82 1HD ARG 82 -8.590 -8.170 -6.542
672 HE ARG 82 HE ARG 82 -10.220 -7.504 -8.406
673 1HH1 ARG 82 2HH1 ARG 82 -8.461 -4.820 -7.453
674 2HH1 ARG 82 1HH1 ARG 82 -7.876 -4.417 -9.032
675 1HH2 ARG 82 1HH2 ARG 82 -9.046 -7.334 -10.500
676 2HH2 ARG 82 2HH2 ARG 82 -8.207 -5.839 -10.757
677 H LYS 83 H LYS 83 -9.003 -8.165 -3.115
678 HA LYS 83 HA LYS 83 -8.093 -7.333 -0.471
679 1HB LYS 83 2HB LYS 83 -10.208 -9.347 -0.851
680 2HB LYS 83 1HB LYS 83 -8.856 -9.934 0.117
681 1HG LYS 83 2HG LYS 83 -9.049 -7.800 1.481
682 2HG LYS 83 1HG LYS 83 -10.563 -7.488 0.630
683 1HD LYS 83 2HD LYS 83 -11.634 -8.846 2.066
684 2HD LYS 83 1HD LYS 83 -10.634 -10.192 1.518
685 1HE LYS 83 2HE LYS 83 -9.975 -10.191 3.732
686 2HE LYS 83 1HE LYS 83 -8.865 -8.930 3.159
687 1HZ LYS 83 1HZ LYS 83 -11.617 -8.181 3.848
688 2HZ LYS 83 3HZ LYS 83 -10.519 -8.445 5.114
689 3HZ LYS 83 2HZ LYS 83 -10.192 -7.259 3.941
690 H LEU 84 H LEU 84 -6.068 -7.386 -1.685
691 HA LEU 84 HA LEU 84 -4.730 -9.966 -1.667
692 1HB LEU 84 2HB LEU 84 -6.362 -9.791 -3.719
693 2HB LEU 84 1HB LEU 84 -5.117 -8.736 -4.388
694 HG LEU 84 HG LEU 84 -3.754 -10.952 -3.328
695 1HD1 LEU 84 3HD1 LEU 84 -6.247 -11.717 -4.864
696 2HD1 LEU 84 2HD1 LEU 84 -4.857 -12.788 -4.689
697 3HD1 LEU 84 1HD1 LEU 84 -5.760 -12.275 -3.264
698 1HD2 LEU 84 3HD2 LEU 84 -3.434 -9.466 -5.445
699 2HD2 LEU 84 2HD2 LEU 84 -2.943 -11.158 -5.531
700 3HD2 LEU 84 1HD2 LEU 84 -4.477 -10.647 -6.237
701 H LEU 85 H LEU 85 -2.653 -9.484 -3.384
702 HA LEU 85 HA LEU 85 -1.714 -6.757 -3.367
703 1HB LEU 85 2HB LEU 85 -0.772 -6.657 -1.300
704 2HB LEU 85 1HB LEU 85 -1.672 -8.118 -0.931
705 HG LEU 85 HG LEU 85 1.045 -8.231 -2.240
706 1HD1 LEU 85 2HD1 LEU 85 0.485 -7.206 0.325
707 2HD1 LEU 85 1HD1 LEU 85 1.054 -8.854 0.581
708 3HD1 LEU 85 3HD1 LEU 85 2.056 -7.704 -0.300
709 1HD2 LEU 85 1HD2 LEU 85 -0.982 -10.112 -1.374
710 2HD2 LEU 85 3HD2 LEU 85 0.518 -10.430 -2.247
711 3HD2 LEU 85 2HD2 LEU 85 0.516 -10.385 -0.483
712 H ARG 86 H ARG 86 0.772 -6.776 -3.938
713 HA ARG 86 HA ARG 86 1.583 -9.309 -5.284
714 1HB ARG 86 2HB ARG 86 1.606 -6.719 -6.819
715 2HB ARG 86 1HB ARG 86 1.568 -8.370 -7.435
716 1HG ARG 86 2HG ARG 86 -0.746 -8.613 -6.533
717 2HG ARG 86 1HG ARG 86 -0.701 -6.920 -6.040
718 1HD ARG 86 2HD ARG 86 -1.686 -6.679 -8.133
719 2HD ARG 86 1HD ARG 86 0.021 -6.607 -8.615
720 HE ARG 86 HE ARG 86 -0.790 -9.348 -8.461
721 1HH1 ARG 86 2HH1 ARG 86 -1.683 -6.526 -10.201
722 2HH1 ARG 86 1HH1 ARG 86 -1.796 -7.334 -11.729
723 1HH2 ARG 86 1HH2 ARG 86 -0.735 -10.393 -10.489
724 2HH2 ARG 86 2HH2 ARG 86 -1.260 -9.523 -11.891
725 H PHE 87 H PHE 87 3.784 -8.821 -6.471
726 HA PHE 87 HA PHE 87 5.488 -6.784 -5.159
727 1HB PHE 87 2HB PHE 87 6.275 -9.692 -4.975
728 2HB PHE 87 1HB PHE 87 6.865 -8.333 -4.024
729 HD1 PHE 87 HD2 PHE 87 4.037 -10.656 -4.547
730 HD2 PHE 87 HD1 PHE 87 5.668 -7.542 -2.075
731 HE1 PHE 87 HE2 PHE 87 2.335 -11.146 -2.807
732 HE2 PHE 87 HE1 PHE 87 3.965 -8.036 -0.340
733 HZ PHE 87 HZ PHE 87 2.309 -9.827 -0.716
734 H ASN 88 H ASN 88 5.530 -6.201 -7.564
735 HA ASN 88 HA ASN 88 7.772 -7.634 -8.843
736 1HB ASN 88 2HB ASN 88 6.008 -7.560 -10.947
737 2HB ASN 88 1HB ASN 88 6.406 -8.988 -10.000
738 1HD2 ASN 88 2HD2 ASN 88 2.778 -7.140 -9.447
739 2HD2 ASN 88 1HD2 ASN 88 4.022 -6.326 -10.266
740 H GLY 89 H GLY 89 7.502 -6.610 -11.416
741 1HA GLY 89 2HA GLY 89 7.712 -4.599 -12.657
742 2HA GLY 89 1HA GLY 89 7.070 -3.712 -11.258
743 HA PRO 90 HA PRO 90 11.459 -4.896 -9.824
744 1HB PRO 90 2HB PRO 90 13.056 -6.197 -11.644
745 2HB PRO 90 1HB PRO 90 12.029 -7.020 -10.452
746 1HG PRO 90 2HG PRO 90 11.465 -6.417 -13.328
747 2HG PRO 90 1HG PRO 90 11.196 -7.918 -12.421
748 1HD PRO 90 2HD PRO 90 9.179 -6.239 -12.907
749 2HD PRO 90 1HD PRO 90 9.307 -7.085 -11.345
750 H VAL 91 HN VAL 91 12.495 -2.963 -9.817
751 HA VAL 91 HA VAL 91 12.711 -1.237 -12.122
752 HB VAL 91 HB VAL 91 12.546 -0.339 -9.895
753 1HG1 VAL 91 1HG1 VAL 91 14.500 -2.455 -9.335
754 2HG1 VAL 91 3HG1 VAL 91 14.905 -0.922 -8.561
755 3HG1 VAL 91 2HG1 VAL 91 13.343 -1.680 -8.252
756 1HG2 VAL 91 3HG2 VAL 91 14.453 0.475 -11.666
757 2HG2 VAL 91 2HG2 VAL 91 14.106 1.310 -10.152
758 3HG2 VAL 91 1HG2 VAL 91 15.444 0.164 -10.241
No H/Q in entry = 758
Start of MODEL 10
1 1H GLY 1 2H GLY 1 -13.438 10.525 -4.397
2 2H GLY 1 1H GLY 1 -13.862 9.766 -5.857
3 3H GLY 1 3H GLY 1 -14.199 9.006 -4.379
4 1HA GLY 1 2HA GLY 1 -12.239 8.012 -4.380
5 2HA GLY 1 1HA GLY 1 -11.916 8.748 -5.951
6 H GLU 2 H GLU 2 -9.706 8.509 -4.532
7 HA GLU 2 HA GLU 2 -8.862 11.236 -4.020
8 1HB GLU 2 2HB GLU 2 -10.274 10.593 -2.005
9 2HB GLU 2 1HB GLU 2 -9.046 9.384 -1.628
10 1HG GLU 2 2HG GLU 2 -7.559 10.940 -0.894
11 2HG GLU 2 1HG GLU 2 -7.981 12.082 -2.171
12 H TRP 3 H TRP 3 -6.538 11.215 -3.125
13 HA TRP 3 HA TRP 3 -5.086 8.663 -3.335
14 1HB TRP 3 2HB TRP 3 -3.689 9.656 -5.240
15 2HB TRP 3 1HB TRP 3 -5.328 9.165 -5.663
16 HD1 TRP 3 HD1 TRP 3 -3.409 12.349 -4.612
17 HE1 TRP 3 HE1 TRP 3 -4.550 14.378 -5.720
18 HE3 TRP 3 HE3 TRP 3 -7.353 10.018 -6.868
19 HZ2 TRP 3 HZ2 TRP 3 -6.835 14.938 -7.348
20 HZ3 TRP 3 HZ3 TRP 3 -8.994 11.322 -8.191
21 HH2 TRP 3 HH2 TRP 3 -8.741 13.776 -8.434
22 H GLU 4 H GLU 4 -2.707 9.033 -2.933
23 HA GLU 4 HA GLU 4 -1.737 11.614 -2.044
24 1HB GLU 4 2HB GLU 4 -1.876 11.270 0.331
25 2HB GLU 4 1HB GLU 4 -3.477 10.901 -0.311
26 1HG GLU 4 2HG GLU 4 -2.627 8.458 -0.467
27 2HG GLU 4 1HG GLU 4 -1.341 8.986 0.619
28 H ILE 5 H ILE 5 0.496 11.424 -1.221
29 HA ILE 5 HA ILE 5 1.715 8.764 -1.873
30 HB ILE 5 HB ILE 5 2.547 10.182 -3.494
31 1HG1 ILE 5 2HG1 ILE 5 4.387 10.671 -1.139
32 2HG1 ILE 5 1HG1 ILE 5 4.499 9.356 -2.311
33 1HG2 ILE 5 1HG2 ILE 5 2.390 12.392 -1.431
34 2HG2 ILE 5 3HG2 ILE 5 3.103 12.609 -3.029
35 3HG2 ILE 5 2HG2 ILE 5 1.395 12.204 -2.875
36 1HD1 ILE 5 3HD1 ILE 5 4.493 11.491 -3.987
37 2HD1 ILE 5 2HD1 ILE 5 5.287 12.200 -2.581
38 3HD1 ILE 5 1HD1 ILE 5 5.967 10.764 -3.346
39 H ILE 6 H ILE 6 3.902 8.525 -0.766
40 HA ILE 6 HA ILE 6 4.099 9.811 1.905
41 HB ILE 6 HB ILE 6 4.319 7.287 2.737
42 1HG1 ILE 6 2HG1 ILE 6 3.902 6.618 0.227
43 2HG1 ILE 6 1HG1 ILE 6 3.148 5.681 1.507
44 1HG2 ILE 6 3HG2 ILE 6 2.160 9.223 2.580
45 2HG2 ILE 6 2HG2 ILE 6 1.538 7.575 2.652
46 3HG2 ILE 6 1HG2 ILE 6 2.620 8.164 3.913
47 1HD1 ILE 6 1HD1 ILE 6 1.437 7.900 0.810
48 2HD1 ILE 6 3HD1 ILE 6 1.868 7.002 -0.643
49 3HD1 ILE 6 2HD1 ILE 6 1.102 6.175 0.713
50 H ASP 7 H ASP 7 6.101 8.497 3.062
51 HA ASP 7 HA ASP 7 8.119 7.373 1.356
52 1HB ASP 7 2HB ASP 7 9.569 9.460 1.296
53 2HB ASP 7 1HB ASP 7 8.116 9.537 0.300
54 H ILE 8 H ILE 8 9.405 6.292 2.764
55 HA ILE 8 HA ILE 8 10.340 5.601 4.818
56 HB ILE 8 HB ILE 8 11.773 7.471 3.811
57 1HG1 ILE 8 2HG1 ILE 8 12.511 7.836 6.527
58 2HG1 ILE 8 1HG1 ILE 8 11.824 6.216 6.399
59 1HG2 ILE 8 3HG2 ILE 8 10.189 9.017 5.863
60 2HG2 ILE 8 2HG2 ILE 8 11.810 9.521 5.390
61 3HG2 ILE 8 1HG2 ILE 8 10.526 9.440 4.185
62 1HD1 ILE 8 2HD1 ILE 8 13.560 6.834 4.141
63 2HD1 ILE 8 1HD1 ILE 8 14.415 6.963 5.679
64 3HD1 ILE 8 3HD1 ILE 8 13.607 5.457 5.243
65 H GLY 9 H GLY 9 7.511 6.698 4.863
66 1HA GLY 9 2HA GLY 9 7.488 7.524 7.737
67 2HA GLY 9 1HA GLY 9 6.297 8.078 6.572
68 HA PRO 10 HA PRO 10 3.853 4.829 8.223
69 1HB PRO 10 2HB PRO 10 1.659 5.246 6.655
70 2HB PRO 10 1HB PRO 10 2.112 6.307 8.002
71 1HG PRO 10 2HG PRO 10 2.374 6.736 5.098
72 2HG PRO 10 1HG PRO 10 2.185 7.911 6.404
73 1HD PRO 10 2HD PRO 10 4.573 7.248 5.071
74 2HD PRO 10 1HD PRO 10 4.420 8.213 6.553
75 H PHE 11 H PHE 11 2.972 4.971 4.756
76 HA PHE 11 HA PHE 11 2.448 2.319 4.280
77 1HB PHE 11 2HB PHE 11 3.875 4.414 2.643
78 2HB PHE 11 1HB PHE 11 3.473 2.836 1.959
79 HD1 PHE 11 HD1 PHE 11 2.071 5.931 3.435
80 HD2 PHE 11 HD2 PHE 11 1.188 2.204 1.497
81 HE1 PHE 11 HE1 PHE 11 -0.272 6.664 3.096
82 HE2 PHE 11 HE2 PHE 11 -1.154 2.938 1.151
83 HZ PHE 11 HZ PHE 11 -1.885 5.168 1.953
84 H THR 12 H THR 12 5.594 3.711 4.872
85 HA THR 12 HA THR 12 7.236 1.522 4.016
86 HB THR 12 HB THR 12 8.917 2.779 5.062
87 HG1 THR 12 HG1 THR 12 7.245 4.121 6.814
88 1HG2 THR 12 3HG2 THR 12 7.182 4.175 3.587
89 2HG2 THR 12 2HG2 THR 12 6.988 5.029 5.108
90 3HG2 THR 12 1HG2 THR 12 8.575 4.936 4.346
91 H GLN 13 H GLN 13 6.314 2.570 7.288
92 HA GLN 13 HA GLN 13 7.003 0.135 8.612
93 1HB GLN 13 2HB GLN 13 5.294 2.534 9.130
94 2HB GLN 13 1HB GLN 13 5.106 1.150 10.207
95 1HG GLN 13 2HG GLN 13 7.791 1.274 10.159
96 2HG GLN 13 1HG GLN 13 7.435 2.974 9.851
97 1HE2 GLN 13 1HE2 GLN 13 5.938 4.056 11.476
98 2HE2 GLN 13 2HE2 GLN 13 5.957 3.506 13.083
99 H ASN 14 H ASN 14 4.253 1.111 6.758
100 HA ASN 14 HA ASN 14 2.451 -1.007 7.605
101 1HB ASN 14 2HB ASN 14 2.359 1.369 6.127
102 2HB ASN 14 1HB ASN 14 2.012 0.103 4.950
103 1HD2 ASN 14 2HD2 ASN 14 -1.082 1.207 6.964
104 2HD2 ASN 14 1HD2 ASN 14 0.166 2.145 6.299
105 H LEU 15 H LEU 15 4.493 -0.442 4.779
106 HA LEU 15 HA LEU 15 4.026 -2.686 3.222
107 1HB LEU 15 2HB LEU 15 5.658 -0.843 2.799
108 2HB LEU 15 1HB LEU 15 6.719 -1.527 4.030
109 HG LEU 15 HG LEU 15 7.254 -2.165 1.615
110 1HD1 LEU 15 1HD1 LEU 15 7.768 -3.457 3.860
111 2HD1 LEU 15 3HD1 LEU 15 6.627 -4.628 3.203
112 3HD1 LEU 15 2HD1 LEU 15 8.088 -4.221 2.304
113 1HD2 LEU 15 3HD2 LEU 15 4.579 -2.661 1.437
114 2HD2 LEU 15 2HD2 LEU 15 5.779 -3.387 0.371
115 3HD2 LEU 15 1HD2 LEU 15 5.187 -4.283 1.768
116 H GLY 16 H GLY 16 6.744 -2.649 5.550
117 1HA GLY 16 2HA GLY 16 7.206 -5.380 5.722
118 2HA GLY 16 1HA GLY 16 7.414 -4.300 7.104
119 H LYS 17 H LYS 17 4.655 -3.517 7.328
120 HA LYS 17 HA LYS 17 3.639 -5.706 8.922
121 1HB LYS 17 2HB LYS 17 2.842 -2.959 8.094
122 2HB LYS 17 1HB LYS 17 1.570 -4.011 8.717
123 1HG LYS 17 2HG LYS 17 2.952 -4.454 10.733
124 2HG LYS 17 1HG LYS 17 4.171 -3.335 10.121
125 1HD LYS 17 2HD LYS 17 2.887 -1.477 10.554
126 2HD LYS 17 1HD LYS 17 1.369 -2.332 10.276
127 1HE LYS 17 2HE LYS 17 1.277 -2.129 12.592
128 2HE LYS 17 1HE LYS 17 2.172 -3.657 12.476
129 1HZ LYS 17 1HZ LYS 17 4.192 -2.061 12.210
130 2HZ LYS 17 3HZ LYS 17 3.189 -0.949 13.004
131 3HZ LYS 17 2HZ LYS 17 3.594 -2.415 13.760
132 H PHE 18 H PHE 18 1.556 -4.086 6.651
133 HA PHE 18 HA PHE 18 -0.128 -6.138 5.946
134 1HB PHE 18 2HB PHE 18 0.818 -3.643 4.782
135 2HB PHE 18 1HB PHE 18 0.330 -4.797 3.540
136 HD1 PHE 18 HD1 PHE 18 -0.880 -3.816 6.963
137 HD2 PHE 18 HD2 PHE 18 -1.880 -4.586 2.857
138 HE1 PHE 18 HE1 PHE 18 -3.264 -3.337 7.454
139 HE2 PHE 18 HE2 PHE 18 -4.264 -4.108 3.348
140 HZ PHE 18 HZ PHE 18 -4.956 -3.483 5.646
141 H ALA 19 H ALA 19 3.034 -5.537 4.511
142 HA ALA 19 HA ALA 19 2.971 -7.567 2.513
143 1HB ALA 19 2HB ALA 19 4.653 -5.685 2.886
144 2HB ALA 19 1HB ALA 19 5.368 -6.688 4.149
145 3HB ALA 19 3HB ALA 19 5.360 -7.248 2.477
146 H VAL 20 H VAL 20 4.799 -7.776 5.586
147 HA VAL 20 HA VAL 20 5.361 -10.452 5.736
148 HB VAL 20 HB VAL 20 4.347 -8.491 7.798
149 1HG1 VAL 20 2HG1 VAL 20 4.681 -11.388 8.058
150 2HG1 VAL 20 1HG1 VAL 20 5.685 -10.486 9.193
151 3HG1 VAL 20 3HG1 VAL 20 3.938 -10.241 9.174
152 1HG2 VAL 20 3HG2 VAL 20 6.601 -8.246 6.639
153 2HG2 VAL 20 2HG2 VAL 20 6.668 -8.334 8.399
154 3HG2 VAL 20 1HG2 VAL 20 7.078 -9.749 7.429
155 H ASP 21 H ASP 21 2.148 -9.020 6.019
156 HA ASP 21 HA ASP 21 0.966 -11.645 6.763
157 1HB ASP 21 2HB ASP 21 0.369 -8.838 7.088
158 2HB ASP 21 1HB ASP 21 -0.997 -9.645 6.317
159 H GLU 22 H GLU 22 -0.183 -9.158 4.442
160 HA GLU 22 HA GLU 22 -1.491 -11.008 2.751
161 1HB GLU 22 2HB GLU 22 -0.168 -8.377 2.025
162 2HB GLU 22 1HB GLU 22 -1.472 -9.157 1.128
163 1HG GLU 22 2HG GLU 22 -1.594 -8.036 3.940
164 2HG GLU 22 1HG GLU 22 -2.477 -7.468 2.523
165 H GLU 23 H GLU 23 1.881 -10.160 2.938
166 HA GLU 23 HA GLU 23 2.608 -11.441 0.407
167 1HB GLU 23 2HB GLU 23 3.829 -9.578 1.755
168 2HB GLU 23 1HB GLU 23 4.426 -10.898 2.761
169 1HG GLU 23 2HG GLU 23 4.696 -11.471 -0.092
170 2HG GLU 23 1HG GLU 23 5.576 -10.020 0.387
171 H ASN 24 H ASN 24 3.335 -12.288 3.847
172 HA ASN 24 HA ASN 24 4.141 -14.959 3.348
173 1HB ASN 24 2HB ASN 24 2.618 -13.667 5.638
174 2HB ASN 24 1HB ASN 24 3.241 -15.313 5.715
175 1HD2 ASN 24 2HD2 ASN 24 6.140 -13.748 7.089
176 2HD2 ASN 24 1HD2 ASN 24 4.740 -14.633 7.463
177 H LYS 25 H LYS 25 0.895 -13.602 3.973
178 HA LYS 25 HA LYS 25 -0.617 -15.982 3.679
179 1HB LYS 25 2HB LYS 25 -1.071 -13.054 3.134
180 2HB LYS 25 1HB LYS 25 -2.339 -14.227 2.780
181 1HG LYS 25 2HG LYS 25 -0.973 -14.015 5.475
182 2HG LYS 25 1HG LYS 25 -2.487 -13.197 5.085
183 1HD LYS 25 2HD LYS 25 -2.281 -16.130 4.526
184 2HD LYS 25 1HD LYS 25 -2.495 -15.610 6.198
185 1HE LYS 25 2HE LYS 25 -4.479 -14.246 5.463
186 2HE LYS 25 1HE LYS 25 -4.314 -14.971 3.850
187 1HZ LYS 25 1HZ LYS 25 -4.471 -16.567 6.346
188 2HZ LYS 25 3HZ LYS 25 -5.829 -16.203 5.398
189 3HZ LYS 25 2HZ LYS 25 -4.566 -17.135 4.747
190 H ILE 26 H ILE 26 0.285 -13.559 1.258
191 HA ILE 26 HA ILE 26 -0.729 -14.812 -1.047
192 HB ILE 26 HB ILE 26 1.299 -12.802 -0.357
193 1HG1 ILE 26 2HG1 ILE 26 -0.832 -12.102 -1.202
194 2HG1 ILE 26 1HG1 ILE 26 0.340 -11.778 -2.479
195 1HG2 ILE 26 3HG2 ILE 26 2.716 -14.416 -1.665
196 2HG2 ILE 26 2HG2 ILE 26 1.621 -14.188 -3.028
197 3HG2 ILE 26 1HG2 ILE 26 2.558 -12.827 -2.414
198 1HD1 ILE 26 1HD1 ILE 26 -0.387 -14.354 -3.059
199 2HD1 ILE 26 3HD1 ILE 26 -1.899 -13.691 -2.440
200 3HD1 ILE 26 2HD1 ILE 26 -1.095 -12.924 -3.810
201 H GLY 27 H GLY 27 1.917 -15.714 0.965
202 1HA GLY 27 2HA GLY 27 3.066 -17.793 0.985
203 2HA GLY 27 1HA GLY 27 2.270 -18.212 -0.533
204 H GLN 28 H GLN 28 4.689 -15.871 0.699
205 HA GLN 28 HA GLN 28 6.230 -16.337 -1.835
206 1HB GLN 28 2HB GLN 28 5.013 -14.150 -1.701
207 2HB GLN 28 1HB GLN 28 5.932 -13.768 -0.246
208 1HG GLN 28 2HG GLN 28 7.132 -12.722 -2.011
209 2HG GLN 28 1HG GLN 28 8.034 -14.198 -1.662
210 1HE2 GLN 28 2HE2 GLN 28 7.630 -14.164 -5.333
211 2HE2 GLN 28 1HE2 GLN 28 8.494 -13.284 -4.167
212 H TYR 29 H TYR 29 6.862 -14.534 1.191
213 HA TYR 29 HA TYR 29 9.458 -15.977 1.425
214 1HB TYR 29 2HB TYR 29 8.587 -13.297 1.653
215 2HB TYR 29 1HB TYR 29 9.054 -13.806 3.275
216 HD1 TYR 29 HD2 TYR 29 10.271 -14.148 -0.263
217 HD2 TYR 29 HD1 TYR 29 11.290 -13.586 3.872
218 HE1 TYR 29 HE2 TYR 29 12.664 -13.939 -0.882
219 HE2 TYR 29 HE1 TYR 29 13.683 -13.376 3.253
220 HH TYR 29 HH TYR 29 15.185 -13.723 1.580
221 H GLY 30 H GLY 30 7.418 -14.487 3.862
222 1HA GLY 30 2HA GLY 30 6.151 -15.683 5.566
223 2HA GLY 30 1HA GLY 30 7.140 -17.107 5.245
224 H ARG 31 H ARG 31 8.372 -13.815 5.716
225 HA ARG 31 HA ARG 31 9.283 -14.478 8.455
226 1HB ARG 31 2HB ARG 31 11.124 -14.026 6.085
227 2HB ARG 31 1HB ARG 31 11.664 -14.073 7.764
228 1HG ARG 31 2HG ARG 31 10.675 -16.370 7.958
229 2HG ARG 31 1HG ARG 31 10.326 -16.318 6.229
230 1HD ARG 31 2HD ARG 31 12.669 -16.172 5.676
231 2HD ARG 31 1HD ARG 31 13.110 -15.928 7.378
232 HE ARG 31 HE ARG 31 11.877 -18.266 7.637
233 1HH1 ARG 31 1HH2 ARG 31 14.377 -17.180 5.583
234 2HH1 ARG 31 2HH2 ARG 31 14.711 -18.742 4.914
235 1HH2 ARG 31 2HH1 ARG 31 12.077 -20.296 6.550
236 2HH2 ARG 31 1HH1 ARG 31 13.408 -20.507 5.461
237 H LEU 32 H LEU 32 10.767 -12.197 6.195
238 HA LEU 32 HA LEU 32 9.463 -9.946 7.689
239 1HB LEU 32 2HB LEU 32 12.318 -9.897 6.718
240 2HB LEU 32 1HB LEU 32 11.575 -8.936 7.995
241 HG LEU 32 HG LEU 32 12.209 -11.898 8.085
242 1HD1 LEU 32 3HD1 LEU 32 13.993 -10.038 8.482
243 2HD1 LEU 32 2HD1 LEU 32 13.136 -9.768 9.999
244 3HD1 LEU 32 1HD1 LEU 32 13.856 -11.342 9.662
245 1HD2 LEU 32 2HD2 LEU 32 10.106 -10.500 9.362
246 2HD2 LEU 32 1HD2 LEU 32 10.677 -12.129 9.721
247 3HD2 LEU 32 3HD2 LEU 32 11.346 -10.748 10.590
248 H THR 33 H THR 33 9.629 -7.858 6.440
249 HA THR 33 HA THR 33 10.100 -8.096 3.531
250 HB THR 33 HB THR 33 7.460 -6.964 4.121
251 HG1 THR 33 HG1 THR 33 6.764 -9.335 4.362
252 1HG2 THR 33 1HG2 THR 33 8.511 -9.169 2.332
253 2HG2 THR 33 3HG2 THR 33 6.836 -8.617 2.329
254 3HG2 THR 33 2HG2 THR 33 8.130 -7.513 1.865
255 H PHE 34 H PHE 34 11.685 -6.510 4.903
256 HA PHE 34 HA PHE 34 11.181 -3.846 4.008
257 1HB PHE 34 2HB PHE 34 9.408 -3.759 5.602
258 2HB PHE 34 1HB PHE 34 10.384 -4.557 6.838
259 HD1 PHE 34 HD2 PHE 34 11.287 -1.763 4.523
260 HD2 PHE 34 HD1 PHE 34 10.591 -2.985 8.581
261 HE1 PHE 34 HE2 PHE 34 12.083 0.445 5.324
262 HE2 PHE 34 HE1 PHE 34 11.386 -0.777 9.383
263 HZ PHE 34 HZ PHE 34 12.133 0.938 7.754
264 H ASN 35 H ASN 35 13.458 -4.219 3.504
265 HA ASN 35 HA ASN 35 15.278 -4.089 5.884
266 1HB ASN 35 2HB ASN 35 15.124 -5.973 3.908
267 2HB ASN 35 1HB ASN 35 16.335 -4.881 3.237
268 1HD2 ASN 35 2HD2 ASN 35 18.359 -7.129 5.280
269 2HD2 ASN 35 1HD2 ASN 35 17.591 -7.098 3.767
270 H LYS 36 H LYS 36 15.220 -3.129 2.410
271 HA LYS 36 HA LYS 36 17.217 -1.081 2.758
272 1HB LYS 36 2HB LYS 36 15.345 -2.053 0.661
273 2HB LYS 36 1HB LYS 36 15.991 -0.424 0.450
274 1HG LYS 36 2HG LYS 36 18.052 -2.298 1.304
275 2HG LYS 36 1HG LYS 36 17.301 -2.795 -0.210
276 1HD LYS 36 2HD LYS 36 19.077 -1.349 -0.851
277 2HD LYS 36 1HD LYS 36 17.617 -0.366 -0.979
278 1HE LYS 36 2HE LYS 36 18.621 1.125 0.409
279 2HE LYS 36 1HE LYS 36 18.472 -0.086 1.699
280 1HZ LYS 36 1HZ LYS 36 20.645 -0.164 -0.314
281 2HZ LYS 36 3HZ LYS 36 20.809 0.664 1.157
282 3HZ LYS 36 2HZ LYS 36 20.546 -1.015 1.153
283 H VAL 37 H VAL 37 14.411 0.170 1.139
284 HA VAL 37 HA VAL 37 13.401 1.652 3.469
285 HB VAL 37 HB VAL 37 15.429 2.678 1.530
286 1HG1 VAL 37 2HG1 VAL 37 13.406 4.106 1.146
287 2HG1 VAL 37 1HG1 VAL 37 13.398 4.493 2.866
288 3HG1 VAL 37 3HG1 VAL 37 14.753 4.995 1.856
289 1HG2 VAL 37 1HG2 VAL 37 14.983 2.486 4.418
290 2HG2 VAL 37 3HG2 VAL 37 16.496 2.624 3.521
291 3HG2 VAL 37 2HG2 VAL 37 15.570 4.071 3.918
292 H ILE 38 H ILE 38 11.870 3.462 2.661
293 HA ILE 38 HA ILE 38 10.436 2.585 0.172
294 HB ILE 38 HB ILE 38 9.577 3.334 2.954
295 1HG1 ILE 38 2HG1 ILE 38 9.532 1.013 1.203
296 2HG1 ILE 38 1HG1 ILE 38 9.242 1.101 2.935
297 1HG2 ILE 38 3HG2 ILE 38 8.058 3.864 0.410
298 2HG2 ILE 38 2HG2 ILE 38 7.188 3.480 1.892
299 3HG2 ILE 38 1HG2 ILE 38 8.238 4.889 1.827
300 1HD1 ILE 38 1HD1 ILE 38 6.886 2.027 2.201
301 2HD1 ILE 38 3HD1 ILE 38 7.269 1.232 0.674
302 3HD1 ILE 38 2HD1 ILE 38 7.200 0.293 2.166
303 H ARG 39 H ARG 39 10.826 4.168 -1.346
304 HA ARG 39 HA ARG 39 10.719 7.015 -0.416
305 1HB ARG 39 2HB ARG 39 12.665 5.494 -1.897
306 2HB ARG 39 1HB ARG 39 12.051 6.802 -2.911
307 1HG ARG 39 2HG ARG 39 12.518 7.703 -0.183
308 2HG ARG 39 1HG ARG 39 13.984 7.035 -0.902
309 1HD ARG 39 2HD ARG 39 13.661 8.504 -2.887
310 2HD ARG 39 1HD ARG 39 12.239 9.217 -2.101
311 HE ARG 39 HE ARG 39 13.746 10.476 -0.800
312 1HH1 ARG 39 1HH2 ARG 39 14.749 8.315 0.875
313 2HH1 ARG 39 2HH2 ARG 39 16.436 8.245 0.487
314 1HH2 ARG 39 2HH1 ARG 39 16.105 10.041 -2.461
315 2HH2 ARG 39 1HH1 ARG 39 17.204 9.222 -1.401
316 HA PRO 40 HA PRO 40 8.354 7.003 -4.453
317 1HB PRO 40 2HB PRO 40 8.478 4.884 -6.178
318 2HB PRO 40 1HB PRO 40 9.680 6.187 -6.151
319 1HG PRO 40 2HG PRO 40 9.931 3.416 -5.269
320 2HG PRO 40 1HG PRO 40 11.186 4.593 -5.658
321 1HD PRO 40 2HD PRO 40 10.261 3.788 -3.064
322 2HD PRO 40 1HD PRO 40 11.543 4.945 -3.469
323 H CYS 41 H CYS 41 7.341 5.920 -2.105
324 HA CYS 41 HA CYS 41 5.472 3.737 -2.886
325 1HB CYS 41 2HB CYS 41 4.963 3.792 -0.436
326 2HB CYS 41 1HB CYS 41 6.678 3.559 -0.769
327 HG CYS 41 HG CYS 41 5.745 5.704 0.943
328 H MET 42 H MET 42 3.474 4.312 -3.649
329 HA MET 42 HA MET 42 2.340 6.958 -2.793
330 1HB MET 42 2HB MET 42 2.412 5.453 -5.402
331 2HB MET 42 1HB MET 42 1.150 6.650 -5.105
332 1HG MET 42 2HG MET 42 3.271 8.098 -4.324
333 2HG MET 42 1HG MET 42 4.082 7.037 -5.477
334 1HE MET 42 3HE MET 42 2.820 6.446 -7.831
335 2HE MET 42 2HE MET 42 2.880 7.882 -8.851
336 3HE MET 42 1HE MET 42 4.257 7.479 -7.829
337 H LYS 43 H LYS 43 -0.105 6.972 -2.829
338 HA LYS 43 HA LYS 43 -1.337 4.273 -2.482
339 1HB LYS 43 2HB LYS 43 -0.653 4.903 -0.271
340 2HB LYS 43 1HB LYS 43 -1.224 6.556 -0.496
341 1HG LYS 43 2HG LYS 43 -3.423 4.833 -1.029
342 2HG LYS 43 1HG LYS 43 -2.686 4.286 0.477
343 1HD LYS 43 2HD LYS 43 -2.648 6.837 1.076
344 2HD LYS 43 1HD LYS 43 -3.885 6.964 -0.174
345 1HE LYS 43 2HE LYS 43 -5.448 5.801 1.065
346 2HE LYS 43 1HE LYS 43 -4.219 4.793 1.856
347 1HZ LYS 43 3HZ LYS 43 -3.430 7.012 2.848
348 2HZ LYS 43 2HZ LYS 43 -4.977 7.584 2.444
349 3HZ LYS 43 1HZ LYS 43 -4.805 6.279 3.518
350 H LYS 44 H LYS 44 -3.545 4.243 -3.050
351 HA LYS 44 HA LYS 44 -4.917 6.826 -3.584
352 1HB LYS 44 2HB LYS 44 -4.235 4.674 -5.604
353 2HB LYS 44 1HB LYS 44 -5.471 5.897 -5.900
354 1HG LYS 44 2HG LYS 44 -3.404 7.457 -5.040
355 2HG LYS 44 1HG LYS 44 -2.528 6.166 -5.861
356 1HD LYS 44 2HD LYS 44 -4.466 6.603 -7.686
357 2HD LYS 44 1HD LYS 44 -4.366 8.217 -6.981
358 1HE LYS 44 2HE LYS 44 -2.056 8.437 -7.547
359 2HE LYS 44 1HE LYS 44 -1.903 6.703 -7.896
360 1HZ LYS 44 3HZ LYS 44 -3.620 7.000 -9.634
361 2HZ LYS 44 2HZ LYS 44 -3.562 8.679 -9.372
362 3HZ LYS 44 1HZ LYS 44 -2.194 7.860 -9.959
363 H THR 45 H THR 45 -7.253 6.524 -3.852
364 HA THR 45 HA THR 45 -8.322 3.808 -3.308
365 HB THR 45 HB THR 45 -8.379 6.204 -1.483
366 HG1 THR 45 HG1 THR 45 -8.358 3.506 -0.744
367 1HG2 THR 45 3HG2 THR 45 -10.629 4.411 -2.070
368 2HG2 THR 45 2HG2 THR 45 -10.198 4.449 -0.364
369 3HG2 THR 45 1HG2 THR 45 -10.615 5.944 -1.202
370 H ILE 46 H ILE 46 -10.566 3.635 -3.848
371 HA ILE 46 HA ILE 46 -11.719 6.011 -5.277
372 HB ILE 46 HB ILE 46 -10.962 4.213 -6.798
373 1HG1 ILE 46 2HG1 ILE 46 -13.578 3.491 -7.336
374 2HG1 ILE 46 1HG1 ILE 46 -13.771 4.993 -6.433
375 1HG2 ILE 46 2HG2 ILE 46 -12.703 2.506 -5.000
376 2HG2 ILE 46 1HG2 ILE 46 -12.136 1.973 -6.583
377 3HG2 ILE 46 3HG2 ILE 46 -10.975 2.324 -5.303
378 1HD1 ILE 46 2HD1 ILE 46 -11.860 4.702 -8.761
379 2HD1 ILE 46 1HD1 ILE 46 -13.515 5.287 -8.938
380 3HD1 ILE 46 3HD1 ILE 46 -12.358 6.192 -7.961
381 H TYR 47 H TYR 47 -12.039 5.522 -2.556
382 HA TYR 47 HA TYR 47 -14.338 3.902 -1.938
383 1HB TYR 47 2HB TYR 47 -13.933 4.666 0.247
384 2HB TYR 47 1HB TYR 47 -12.344 4.767 -0.507
385 HD1 TYR 47 HD1 TYR 47 -12.944 7.223 -2.259
386 HD2 TYR 47 HD2 TYR 47 -13.648 6.390 1.897
387 HE1 TYR 47 HE1 TYR 47 -12.869 9.649 -1.760
388 HE2 TYR 47 HE2 TYR 47 -13.573 8.818 2.394
389 HH TYR 47 HH TYR 47 -13.174 10.848 1.581
390 H GLU 48 H GLU 48 -15.530 5.913 -0.208
391 HA GLU 48 HA GLU 48 -17.712 6.750 -1.852
392 1HB GLU 48 2HB GLU 48 -18.592 7.319 0.203
393 2HB GLU 48 1HB GLU 48 -17.298 6.239 0.704
394 1HG GLU 48 2HG GLU 48 -15.926 8.561 0.644
395 2HG GLU 48 1HG GLU 48 -17.531 9.177 1.041
396 H ASN 49 H ASN 49 -18.203 9.306 -0.707
397 HA ASN 49 HA ASN 49 -16.075 11.143 -1.610
398 1HB ASN 49 2HB ASN 49 -18.781 10.981 -2.981
399 2HB ASN 49 1HB ASN 49 -17.484 12.108 -3.377
400 1HD2 ASN 49 2HD2 ASN 49 -15.677 9.760 -5.305
401 2HD2 ASN 49 1HD2 ASN 49 -15.727 11.331 -4.666
402 H GLU 50 H GLU 50 -19.408 10.647 -0.473
403 HA GLU 50 HA GLU 50 -19.106 13.097 1.210
404 1HB GLU 50 2HB GLU 50 -20.444 13.278 -1.023
405 2HB GLU 50 1HB GLU 50 -21.686 12.370 -0.161
406 1HG GLU 50 2HG GLU 50 -21.230 14.186 1.722
407 2HG GLU 50 1HG GLU 50 -20.669 15.138 0.346
408 H ARG 51 H ARG 51 -20.540 9.877 0.770
409 HA ARG 51 HA ARG 51 -20.792 9.548 3.657
410 1HB ARG 51 2HB ARG 51 -22.835 10.930 2.305
411 2HB ARG 51 1HB ARG 51 -23.487 9.320 2.613
412 1HG ARG 51 2HG ARG 51 -22.435 9.705 5.012
413 2HG ARG 51 1HG ARG 51 -22.585 11.405 4.567
414 1HD ARG 51 2HD ARG 51 -24.873 11.363 4.693
415 2HD ARG 51 1HD ARG 51 -24.974 9.730 4.006
416 HE ARG 51 HE ARG 51 -23.819 9.206 6.407
417 1HH1 ARG 51 2HH1 ARG 51 -24.457 10.835 8.314
418 2HH1 ARG 51 1HH1 ARG 51 -26.167 10.815 8.588
419 1HH2 ARG 51 1HH2 ARG 51 -26.907 9.332 5.542
420 2HH2 ARG 51 2HH2 ARG 51 -27.554 9.964 7.019
421 H GLU 52 H GLU 52 -19.978 8.116 1.028
422 HA GLU 52 HA GLU 52 -21.475 5.554 1.543
423 1HB GLU 52 2HB GLU 52 -20.135 6.436 -1.018
424 2HB GLU 52 1HB GLU 52 -21.310 5.137 -0.808
425 1HG GLU 52 2HG GLU 52 -22.602 7.388 0.216
426 2HG GLU 52 1HG GLU 52 -21.767 7.987 -1.218
427 H ILE 53 H ILE 53 -19.641 4.233 -0.306
428 HA ILE 53 HA ILE 53 -16.906 4.443 0.626
429 HB ILE 53 HB ILE 53 -18.847 2.948 2.199
430 1HG1 ILE 53 2HG1 ILE 53 -17.222 4.499 3.139
431 2HG1 ILE 53 1HG1 ILE 53 -16.897 2.882 3.766
432 1HG2 ILE 53 3HG2 ILE 53 -17.953 1.070 0.717
433 2HG2 ILE 53 2HG2 ILE 53 -16.371 1.385 1.430
434 3HG2 ILE 53 1HG2 ILE 53 -17.704 0.850 2.450
435 1HD1 ILE 53 3HD1 ILE 53 -15.332 2.768 1.605
436 2HD1 ILE 53 2HD1 ILE 53 -15.322 4.518 1.827
437 3HD1 ILE 53 1HD1 ILE 53 -14.759 3.463 3.122
438 H LYS 54 H LYS 54 -15.539 3.156 -0.716
439 HA LYS 54 HA LYS 54 -16.969 1.267 -2.541
440 1HB LYS 54 2HB LYS 54 -15.795 3.844 -3.135
441 2HB LYS 54 1HB LYS 54 -15.058 2.558 -4.098
442 1HG LYS 54 2HG LYS 54 -16.956 2.164 -5.272
443 2HG LYS 54 1HG LYS 54 -17.981 2.348 -3.849
444 1HD LYS 54 2HD LYS 54 -16.869 4.905 -4.412
445 2HD LYS 54 1HD LYS 54 -17.477 4.255 -5.934
446 1HE LYS 54 2HE LYS 54 -19.402 3.649 -3.903
447 2HE LYS 54 1HE LYS 54 -19.001 5.375 -3.794
448 1HZ LYS 54 1HZ LYS 54 -19.275 4.230 -6.465
449 2HZ LYS 54 3HZ LYS 54 -20.705 4.447 -5.583
450 3HZ LYS 54 2HZ LYS 54 -19.696 5.776 -5.900
451 H GLY 55 H GLY 55 -13.533 2.429 -2.587
452 1HA GLY 55 2HA GLY 55 -12.677 -0.186 -1.534
453 2HA GLY 55 1HA GLY 55 -12.373 0.030 -3.251
454 H TYR 56 H TYR 56 -10.126 -0.355 -2.247
455 HA TYR 56 HA TYR 56 -8.771 2.258 -2.068
456 1HB TYR 56 2HB TYR 56 -9.333 1.983 0.227
457 2HB TYR 56 1HB TYR 56 -9.008 0.251 0.181
458 HD1 TYR 56 HD1 TYR 56 -6.762 2.619 -1.505
459 HD2 TYR 56 HD2 TYR 56 -7.464 0.379 2.093
460 HE1 TYR 56 HE1 TYR 56 -4.424 3.032 -0.791
461 HE2 TYR 56 HE2 TYR 56 -5.125 0.792 2.806
462 HH TYR 56 HH TYR 56 -3.050 1.440 2.013
463 H GLU 57 H GLU 57 -7.323 1.811 -3.725
464 HA GLU 57 HA GLU 57 -5.766 -0.755 -3.555
465 1HB GLU 57 2HB GLU 57 -5.647 -0.654 -5.960
466 2HB GLU 57 1HB GLU 57 -7.325 -0.312 -5.533
467 1HG GLU 57 2HG GLU 57 -6.880 2.110 -5.704
468 2HG GLU 57 1HG GLU 57 -5.202 1.769 -6.136
469 H TYR 58 H TYR 58 -3.517 -0.491 -3.322
470 HA TYR 58 HA TYR 58 -2.474 2.287 -3.784
471 1HB TYR 58 2HB TYR 58 -1.872 2.457 -1.613
472 2HB TYR 58 1HB TYR 58 -2.952 1.097 -1.342
473 HD1 TYR 58 HD2 TYR 58 -1.505 -1.207 -2.408
474 HD2 TYR 58 HD1 TYR 58 0.034 2.187 -0.276
475 HE1 TYR 58 HE2 TYR 58 0.383 -2.574 -1.588
476 HE2 TYR 58 HE1 TYR 58 1.916 0.811 0.542
477 HH TYR 58 HH TYR 58 2.047 -2.166 0.800
478 H GLN 59 H GLN 59 -0.135 2.411 -3.978
479 HA GLN 59 HA GLN 59 1.181 -0.076 -4.990
480 1HB GLN 59 2HB GLN 59 1.033 2.708 -6.201
481 2HB GLN 59 1HB GLN 59 2.171 1.478 -6.752
482 1HG GLN 59 2HG GLN 59 0.543 0.232 -7.769
483 2HG GLN 59 1HG GLN 59 -0.663 0.622 -6.542
484 1HE2 GLN 59 2HE2 GLN 59 -1.848 3.523 -8.237
485 2HE2 GLN 59 1HE2 GLN 59 -1.816 2.699 -6.753
486 H LEU 60 H LEU 60 3.068 -0.348 -3.810
487 HA LEU 60 HA LEU 60 4.286 2.106 -2.589
488 1HB LEU 60 2HB LEU 60 3.228 0.692 -0.944
489 2HB LEU 60 1HB LEU 60 4.006 -0.746 -1.594
490 HG LEU 60 HG LEU 60 6.176 0.843 -1.076
491 1HD1 LEU 60 1HD1 LEU 60 4.071 2.161 0.198
492 2HD1 LEU 60 3HD1 LEU 60 4.823 1.224 1.489
493 3HD1 LEU 60 2HD1 LEU 60 5.785 2.367 0.553
494 1HD2 LEU 60 1HD2 LEU 60 5.557 -1.580 -0.391
495 2HD2 LEU 60 3HD2 LEU 60 6.626 -0.677 0.684
496 3HD2 LEU 60 2HD2 LEU 60 4.916 -0.854 1.083
497 H TYR 61 H TYR 61 5.527 2.171 -4.656
498 HA TYR 61 HA TYR 61 7.360 0.032 -5.318
499 1HB TYR 61 2HB TYR 61 6.630 1.447 -7.038
500 2HB TYR 61 1HB TYR 61 6.884 2.897 -6.075
501 HD1 TYR 61 HD2 TYR 61 9.402 0.234 -6.060
502 HD2 TYR 61 HD1 TYR 61 8.227 3.940 -7.881
503 HE1 TYR 61 HE2 TYR 61 11.670 0.474 -7.031
504 HE2 TYR 61 HE1 TYR 61 10.495 4.180 -8.855
505 HH TYR 61 HH TYR 61 12.398 2.838 -9.431
506 H VAL 62 H VAL 62 8.997 -0.477 -3.937
507 HA VAL 62 HA VAL 62 10.869 1.619 -3.011
508 HB VAL 62 HB VAL 62 10.491 0.958 -0.635
509 1HG1 VAL 62 3HG1 VAL 62 9.256 2.886 -1.766
510 2HG1 VAL 62 2HG1 VAL 62 7.877 1.795 -1.910
511 3HG1 VAL 62 1HG1 VAL 62 8.492 2.232 -0.318
512 1HG2 VAL 62 2HG2 VAL 62 9.592 -1.299 -1.147
513 2HG2 VAL 62 1HG2 VAL 62 8.528 -0.394 -0.070
514 3HG2 VAL 62 3HG2 VAL 62 8.125 -0.555 -1.780
515 H TYR 63 H TYR 63 12.153 0.073 -1.092
516 HA TYR 63 HA TYR 63 12.751 -2.514 -2.470
517 1HB TYR 63 2HB TYR 63 14.314 -0.506 -2.996
518 2HB TYR 63 1HB TYR 63 14.904 -0.724 -1.346
519 HD1 TYR 63 HD2 TYR 63 15.317 -3.328 -0.716
520 HD2 TYR 63 HD1 TYR 63 15.453 -1.648 -4.664
521 HE1 TYR 63 HE2 TYR 63 16.729 -5.221 -1.473
522 HE2 TYR 63 HE1 TYR 63 16.866 -3.540 -5.424
523 HH TYR 63 HH TYR 63 18.295 -5.764 -3.215
524 H ALA 64 H ALA 64 13.213 -4.184 -1.040
525 HA ALA 64 HA ALA 64 13.515 -3.492 1.844
526 1HB ALA 64 3HB ALA 64 11.532 -5.366 0.533
527 2HB ALA 64 2HB ALA 64 11.794 -5.276 2.276
528 3HB ALA 64 1HB ALA 64 11.163 -3.878 1.404
529 H SER 65 H SER 65 12.851 -6.742 1.483
530 HA SER 65 HA SER 65 15.764 -7.421 1.338
531 1HB SER 65 2HB SER 65 14.913 -8.004 3.468
532 2HB SER 65 1HB SER 65 13.366 -8.522 2.806
533 HG SER 65 HG SER 65 15.092 -10.154 3.440
534 H ASP 66 H ASP 66 12.498 -8.370 0.327
535 HA ASP 66 HA ASP 66 13.714 -9.963 -1.905
536 1HB ASP 66 2HB ASP 66 11.581 -11.373 -1.589
537 2HB ASP 66 1HB ASP 66 12.808 -11.514 -0.327
538 H LYS 67 H LYS 67 11.941 -7.277 -1.089
539 HA LYS 67 HA LYS 67 10.182 -7.392 -3.509
540 1HB LYS 67 2HB LYS 67 8.841 -6.845 -1.717
541 2HB LYS 67 1HB LYS 67 10.161 -6.097 -0.823
542 1HG LYS 67 2HG LYS 67 9.465 -4.674 -3.305
543 2HG LYS 67 1HG LYS 67 8.160 -4.719 -2.120
544 1HD LYS 67 2HD LYS 67 10.887 -4.105 -1.095
545 2HD LYS 67 1HD LYS 67 10.086 -2.852 -2.044
546 1HE LYS 67 2HE LYS 67 8.977 -4.215 0.437
547 2HE LYS 67 1HE LYS 67 9.480 -2.518 0.292
548 1HZ LYS 67 2HZ LYS 67 7.870 -2.670 -1.782
549 2HZ LYS 67 1HZ LYS 67 7.132 -3.856 -0.816
550 3HZ LYS 67 3HZ LYS 67 7.297 -2.274 -0.233
551 H LEU 68 H LEU 68 11.638 -6.768 -5.122
552 HA LEU 68 HA LEU 68 13.208 -4.252 -4.764
553 1HB LEU 68 2HB LEU 68 13.192 -6.574 -6.704
554 2HB LEU 68 1HB LEU 68 14.106 -5.104 -7.041
555 HG LEU 68 HG LEU 68 15.056 -5.451 -4.623
556 1HD1 LEU 68 2HD1 LEU 68 13.814 -8.110 -5.306
557 2HD1 LEU 68 1HD1 LEU 68 15.250 -8.029 -4.285
558 3HD1 LEU 68 3HD1 LEU 68 13.763 -7.226 -3.781
559 1HD2 LEU 68 2HD2 LEU 68 15.806 -7.219 -6.974
560 2HD2 LEU 68 1HD2 LEU 68 16.424 -5.600 -6.643
561 3HD2 LEU 68 3HD2 LEU 68 16.833 -6.938 -5.569
562 H PHE 69 H PHE 69 10.647 -3.452 -4.863
563 HA PHE 69 HA PHE 69 10.361 -1.838 -7.131
564 1HB PHE 69 2HB PHE 69 8.524 -3.327 -8.270
565 2HB PHE 69 1HB PHE 69 10.215 -3.626 -8.605
566 HD1 PHE 69 HD1 PHE 69 8.437 -4.478 -5.437
567 HD2 PHE 69 HD2 PHE 69 10.185 -5.976 -9.063
568 HE1 PHE 69 HE1 PHE 69 8.259 -6.786 -4.571
569 HE2 PHE 69 HE2 PHE 69 10.004 -8.287 -8.193
570 HZ PHE 69 HZ PHE 69 9.041 -8.693 -5.947
571 H ARG 70 H ARG 70 7.332 -3.337 -6.965
572 HA ARG 70 HA ARG 70 6.555 -1.488 -4.733
573 1HB ARG 70 2HB ARG 70 5.872 -0.736 -6.957
574 2HB ARG 70 1HB ARG 70 5.118 -2.298 -7.271
575 1HG ARG 70 2HG ARG 70 3.795 -1.729 -5.015
576 2HG ARG 70 1HG ARG 70 4.172 -0.070 -5.485
577 1HD ARG 70 2HD ARG 70 2.589 -2.134 -7.039
578 2HD ARG 70 1HD ARG 70 2.095 -0.500 -6.557
579 HE ARG 70 HE ARG 70 4.314 -0.972 -8.515
580 1HH1 ARG 70 2HH1 ARG 70 4.263 1.786 -7.935
581 2HH1 ARG 70 1HH1 ARG 70 3.045 2.457 -8.969
582 1HH2 ARG 70 1HH2 ARG 70 1.544 -0.601 -9.624
583 2HH2 ARG 70 2HH2 ARG 70 1.506 1.105 -9.924
584 H ALA 71 H ALA 71 5.069 -2.163 -3.277
585 HA ALA 71 HA ALA 71 4.182 -5.019 -3.392
586 1HB ALA 71 1HB ALA 71 4.653 -3.015 -1.158
587 2HB ALA 71 3HB ALA 71 3.825 -4.549 -0.891
588 3HB ALA 71 2HB ALA 71 5.505 -4.536 -1.426
589 H ASP 72 H ASP 72 2.133 -4.913 -4.382
590 HA ASP 72 HA ASP 72 0.489 -2.496 -3.981
591 1HB ASP 72 2HB ASP 72 0.950 -4.045 -6.098
592 2HB ASP 72 1HB ASP 72 -0.430 -4.934 -5.453
593 H ILE 73 H ILE 73 -1.791 -2.705 -3.381
594 HA ILE 73 HA ILE 73 -2.663 -5.096 -1.908
595 HB ILE 73 HB ILE 73 -1.641 -2.605 -0.639
596 1HG1 ILE 73 2HG1 ILE 73 -0.613 -4.885 -0.419
597 2HG1 ILE 73 1HG1 ILE 73 -1.047 -4.160 1.128
598 1HG2 ILE 73 3HG2 ILE 73 -4.277 -3.853 0.064
599 2HG2 ILE 73 2HG2 ILE 73 -3.248 -3.242 1.359
600 3HG2 ILE 73 1HG2 ILE 73 -3.808 -2.153 0.090
601 1HD1 ILE 73 3HD1 ILE 73 -3.194 -5.420 1.086
602 2HD1 ILE 73 2HD1 ILE 73 -2.678 -6.203 -0.408
603 3HD1 ILE 73 1HD1 ILE 73 -1.790 -6.487 1.089
604 H SER 74 H SER 74 -4.510 -5.187 -3.174
605 HA SER 74 HA SER 74 -6.132 -2.711 -3.503
606 1HB SER 74 2HB SER 74 -5.422 -4.869 -5.137
607 2HB SER 74 1HB SER 74 -7.106 -5.185 -4.731
608 HG SER 74 HG SER 74 -6.624 -3.765 -6.609
609 H GLU 75 H GLU 75 -8.363 -2.697 -2.801
610 HA GLU 75 HA GLU 75 -9.558 -5.006 -1.471
611 1HB GLU 75 2HB GLU 75 -7.747 -3.280 -0.059
612 2HB GLU 75 1HB GLU 75 -9.365 -3.053 0.605
613 1HG GLU 75 2HG GLU 75 -9.036 -5.838 0.190
614 2HG GLU 75 1HG GLU 75 -7.569 -5.267 0.984
615 H ASP 76 H ASP 76 -11.697 -4.707 -1.975
616 HA ASP 76 HA ASP 76 -12.817 -2.194 -2.793
617 1HB ASP 76 2HB ASP 76 -13.576 -4.927 -2.440
618 2HB ASP 76 1HB ASP 76 -14.813 -3.919 -1.691
619 H TYR 77 H TYR 77 -15.247 -2.220 -1.097
620 HA TYR 77 HA TYR 77 -14.391 -1.754 1.661
621 1HB TYR 77 2HB TYR 77 -13.597 0.165 0.040
622 2HB TYR 77 1HB TYR 77 -15.272 0.695 0.160
623 HD1 TYR 77 HD1 TYR 77 -15.855 -0.181 2.986
624 HD2 TYR 77 HD2 TYR 77 -12.459 1.832 1.291
625 HE1 TYR 77 HE1 TYR 77 -15.359 0.838 5.190
626 HE2 TYR 77 HE2 TYR 77 -11.964 2.850 3.497
627 HH TYR 77 HH TYR 77 -12.966 1.799 6.273
628 H LYS 78 H LYS 78 -16.874 -0.721 -0.739
629 HA LYS 78 HA LYS 78 -19.010 -0.583 1.201
630 1HB LYS 78 2HB LYS 78 -19.481 0.613 -0.721
631 2HB LYS 78 1HB LYS 78 -18.635 -0.527 -1.762
632 1HG LYS 78 2HG LYS 78 -20.535 -2.148 -1.393
633 2HG LYS 78 1HG LYS 78 -21.393 -0.860 -0.546
634 1HD LYS 78 2HD LYS 78 -20.320 -0.506 -3.350
635 2HD LYS 78 1HD LYS 78 -21.938 -1.133 -3.033
636 1HE LYS 78 2HE LYS 78 -22.637 0.895 -1.990
637 2HE LYS 78 1HE LYS 78 -20.968 1.481 -1.846
638 1HZ LYS 78 3HZ LYS 78 -21.835 0.720 -4.514
639 2HZ LYS 78 2HZ LYS 78 -22.557 2.123 -3.883
640 3HZ LYS 78 1HZ LYS 78 -20.866 2.021 -4.021
641 H THR 79 H THR 79 -18.339 -2.956 -1.382
642 HA THR 79 HA THR 79 -19.943 -4.986 0.106
643 HB THR 79 HB THR 79 -18.738 -4.953 -2.686
644 HG1 THR 79 HG1 THR 79 -21.144 -4.088 -1.585
645 1HG2 THR 79 1HG2 THR 79 -20.577 -6.857 -1.236
646 2HG2 THR 79 3HG2 THR 79 -20.513 -6.785 -2.997
647 3HG2 THR 79 2HG2 THR 79 -19.072 -7.222 -2.080
648 H ARG 80 H ARG 80 -16.929 -3.901 0.322
649 HA ARG 80 HA ARG 80 -14.884 -4.842 1.006
650 1HB ARG 80 2HB ARG 80 -16.693 -7.251 1.419
651 2HB ARG 80 1HB ARG 80 -15.121 -6.999 2.177
652 1HG ARG 80 2HG ARG 80 -17.539 -5.201 2.524
653 2HG ARG 80 1HG ARG 80 -16.963 -6.376 3.707
654 1HD ARG 80 2HD ARG 80 -14.810 -5.172 3.874
655 2HD ARG 80 1HD ARG 80 -15.386 -3.986 2.685
656 HE ARG 80 HE ARG 80 -17.020 -3.213 4.295
657 1HH1 ARG 80 1HH2 ARG 80 -15.783 -6.202 5.337
658 2HH1 ARG 80 2HH2 ARG 80 -15.839 -5.814 7.024
659 1HH2 ARG 80 2HH1 ARG 80 -16.762 -2.513 6.506
660 2HH2 ARG 80 1HH1 ARG 80 -16.393 -3.725 7.686
661 H GLY 81 H GLY 81 -16.148 -5.276 -1.779
662 1HA GLY 81 2HA GLY 81 -15.888 -7.105 -3.478
663 2HA GLY 81 1HA GLY 81 -14.599 -5.920 -3.634
664 H ARG 82 H ARG 82 -12.574 -6.461 -2.185
665 HA ARG 82 HA ARG 82 -12.203 -9.280 -1.515
666 1HB ARG 82 2HB ARG 82 -11.744 -8.207 -4.205
667 2HB ARG 82 1HB ARG 82 -10.349 -9.066 -3.551
668 1HG ARG 82 2HG ARG 82 -12.221 -10.825 -2.839
669 2HG ARG 82 1HG ARG 82 -13.080 -10.096 -4.197
670 1HD ARG 82 2HD ARG 82 -11.559 -10.888 -5.760
671 2HD ARG 82 1HD ARG 82 -10.213 -10.879 -4.604
672 HE ARG 82 HE ARG 82 -12.429 -12.895 -4.553
673 1HH1 ARG 82 1HH2 ARG 82 -11.629 -13.692 -2.222
674 2HH1 ARG 82 2HH2 ARG 82 -10.050 -14.395 -2.326
675 1HH2 ARG 82 2HH1 ARG 82 -9.342 -13.000 -5.421
676 2HH2 ARG 82 1HH1 ARG 82 -8.754 -14.003 -4.137
677 H LYS 83 H LYS 83 -9.603 -9.633 -1.604
678 HA LYS 83 HA LYS 83 -8.148 -7.206 -0.686
679 1HB LYS 83 2HB LYS 83 -8.356 -9.788 0.906
680 2HB LYS 83 1HB LYS 83 -7.545 -8.305 1.409
681 1HG LYS 83 2HG LYS 83 -9.560 -8.022 2.500
682 2HG LYS 83 1HG LYS 83 -9.958 -7.264 0.959
683 1HD LYS 83 2HD LYS 83 -11.524 -8.823 0.527
684 2HD LYS 83 1HD LYS 83 -10.367 -10.125 0.805
685 1HE LYS 83 2HE LYS 83 -11.005 -8.984 3.350
686 2HE LYS 83 1HE LYS 83 -12.526 -9.322 2.499
687 1HZ LYS 83 3HZ LYS 83 -10.287 -11.253 2.495
688 2HZ LYS 83 2HZ LYS 83 -11.442 -11.249 3.742
689 3HZ LYS 83 1HZ LYS 83 -11.921 -11.532 2.137
690 H LEU 84 H LEU 84 -5.967 -7.351 -1.351
691 HA LEU 84 HA LEU 84 -4.628 -9.899 -1.765
692 1HB LEU 84 2HB LEU 84 -6.116 -10.034 -3.647
693 2HB LEU 84 1HB LEU 84 -5.816 -8.351 -4.082
694 HG LEU 84 HG LEU 84 -3.534 -10.306 -3.995
695 1HD1 LEU 84 3HD1 LEU 84 -5.761 -10.178 -5.957
696 2HD1 LEU 84 2HD1 LEU 84 -4.133 -10.262 -6.630
697 3HD1 LEU 84 1HD1 LEU 84 -4.703 -11.528 -5.542
698 1HD2 LEU 84 1HD2 LEU 84 -3.914 -7.557 -4.650
699 2HD2 LEU 84 3HD2 LEU 84 -2.425 -8.498 -4.752
700 3HD2 LEU 84 2HD2 LEU 84 -3.508 -8.405 -6.142
701 H LEU 85 H LEU 85 -2.429 -9.552 -2.710
702 HA LEU 85 HA LEU 85 -1.536 -6.739 -2.915
703 1HB LEU 85 2HB LEU 85 -0.686 -6.699 -0.821
704 2HB LEU 85 1HB LEU 85 -1.412 -8.273 -0.529
705 HG LEU 85 HG LEU 85 1.275 -7.975 -1.881
706 1HD1 LEU 85 2HD1 LEU 85 0.659 -7.265 0.781
707 2HD1 LEU 85 1HD1 LEU 85 1.426 -8.850 0.867
708 3HD1 LEU 85 3HD1 LEU 85 2.260 -7.506 0.087
709 1HD2 LEU 85 1HD2 LEU 85 -0.487 -10.143 -1.288
710 2HD2 LEU 85 3HD2 LEU 85 1.115 -10.206 -2.022
711 3HD2 LEU 85 2HD2 LEU 85 0.944 -10.313 -0.271
712 H ARG 86 H ARG 86 0.724 -6.636 -3.796
713 HA ARG 86 HA ARG 86 1.767 -9.186 -4.910
714 1HB ARG 86 2HB ARG 86 1.592 -8.373 -7.185
715 2HB ARG 86 1HB ARG 86 0.006 -8.223 -6.430
716 1HG ARG 86 2HG ARG 86 0.015 -6.026 -6.897
717 2HG ARG 86 1HG ARG 86 1.429 -5.833 -5.860
718 1HD ARG 86 2HD ARG 86 1.897 -5.015 -8.157
719 2HD ARG 86 1HD ARG 86 2.897 -6.432 -7.783
720 HE ARG 86 HE ARG 86 0.612 -7.551 -8.845
721 1HH1 ARG 86 2HH1 ARG 86 3.382 -5.908 -9.882
722 2HH1 ARG 86 1HH1 ARG 86 2.912 -5.829 -11.547
723 1HH2 ARG 86 1HH2 ARG 86 -0.265 -7.101 -10.985
724 2HH2 ARG 86 2HH2 ARG 86 0.848 -6.504 -12.171
725 H PHE 87 H PHE 87 3.963 -9.069 -5.460
726 HA PHE 87 HA PHE 87 5.371 -6.469 -4.907
727 1HB PHE 87 2HB PHE 87 6.633 -9.156 -4.438
728 2HB PHE 87 1HB PHE 87 6.925 -7.634 -3.603
729 HD1 PHE 87 HD2 PHE 87 4.369 -10.320 -4.067
730 HD2 PHE 87 HD1 PHE 87 5.830 -7.151 -1.559
731 HE1 PHE 87 HE2 PHE 87 2.782 -10.999 -2.286
732 HE2 PHE 87 HE1 PHE 87 4.240 -7.837 0.220
733 HZ PHE 87 HZ PHE 87 2.723 -9.748 -0.149
734 H ASN 88 H ASN 88 5.446 -6.024 -7.263
735 HA ASN 88 HA ASN 88 7.583 -7.596 -8.598
736 1HB ASN 88 2HB ASN 88 5.027 -7.184 -10.094
737 2HB ASN 88 1HB ASN 88 6.287 -8.390 -10.348
738 1HD2 ASN 88 2HD2 ASN 88 3.150 -9.301 -7.991
739 2HD2 ASN 88 1HD2 ASN 88 3.211 -7.885 -8.924
740 H GLY 89 H GLY 89 6.674 -6.496 -11.232
741 1HA GLY 89 2HA GLY 89 7.107 -4.566 -12.506
742 2HA GLY 89 1HA GLY 89 6.527 -3.641 -11.110
743 HA PRO 90 HA PRO 90 11.009 -4.553 -9.907
744 1HB PRO 90 2HB PRO 90 12.529 -6.109 -11.572
745 2HB PRO 90 1HB PRO 90 11.551 -6.756 -10.238
746 1HG PRO 90 2HG PRO 90 10.917 -6.620 -13.152
747 2HG PRO 90 1HG PRO 90 10.627 -7.931 -11.995
748 1HD PRO 90 2HD PRO 90 8.672 -6.237 -12.782
749 2HD PRO 90 1HD PRO 90 8.721 -6.948 -11.152
750 H VAL 91 HN VAL 91 12.514 -2.941 -10.286
751 HA VAL 91 HA VAL 91 12.319 -1.282 -12.623
752 HB VAL 91 HB VAL 91 13.993 -0.025 -11.445
753 1HG1 VAL 91 3HG1 VAL 91 11.672 -0.991 -10.198
754 2HG1 VAL 91 2HG1 VAL 91 12.938 -1.102 -8.974
755 3HG1 VAL 91 1HG1 VAL 91 12.592 0.444 -9.746
756 1HG2 VAL 91 2HG2 VAL 91 14.759 -2.721 -10.483
757 2HG2 VAL 91 1HG2 VAL 91 15.777 -1.327 -10.846
758 3HG2 VAL 91 3HG2 VAL 91 14.921 -1.416 -9.307
No H/Q in entry = 758
Start of MODEL 11
1 1H GLY 1 3H GLY 1 -12.896 9.011 -4.175
2 2H GLY 1 2H GLY 1 -13.841 8.358 -5.425
3 3H GLY 1 1H GLY 1 -13.636 7.499 -3.974
4 1HA GLY 1 2HA GLY 1 -11.560 6.786 -4.491
5 2HA GLY 1 1HA GLY 1 -12.244 6.921 -6.112
6 H GLU 2 H GLU 2 -9.427 7.315 -5.089
7 HA GLU 2 HA GLU 2 -8.610 9.418 -6.813
8 1HB GLU 2 2HB GLU 2 -8.076 11.091 -4.901
9 2HB GLU 2 1HB GLU 2 -9.752 10.974 -5.436
10 1HG GLU 2 2HG GLU 2 -10.445 10.079 -3.464
11 2HG GLU 2 1HG GLU 2 -9.017 9.055 -3.321
12 H TRP 3 H TRP 3 -6.321 9.607 -6.834
13 HA TRP 3 HA TRP 3 -4.819 7.448 -5.682
14 1HB TRP 3 2HB TRP 3 -3.160 8.282 -7.055
15 2HB TRP 3 1HB TRP 3 -4.532 9.126 -7.763
16 HD1 TRP 3 HD1 TRP 3 -1.233 9.722 -6.244
17 HE1 TRP 3 HE1 TRP 3 -0.879 12.229 -5.767
18 HE3 TRP 3 HE3 TRP 3 -6.009 11.430 -6.874
19 HZ2 TRP 3 HZ2 TRP 3 -2.414 14.639 -5.664
20 HZ3 TRP 3 HZ3 TRP 3 -6.531 13.834 -6.581
21 HH2 TRP 3 HH2 TRP 3 -4.742 15.439 -5.978
22 H GLU 4 H GLU 4 -2.585 8.260 -4.502
23 HA GLU 4 HA GLU 4 -2.674 10.435 -2.663
24 1HB GLU 4 2HB GLU 4 -4.463 8.263 -2.128
25 2HB GLU 4 1HB GLU 4 -3.230 8.288 -0.865
26 1HG GLU 4 2HG GLU 4 -3.734 10.520 -0.261
27 2HG GLU 4 1HG GLU 4 -4.643 10.802 -1.746
28 H ILE 5 H ILE 5 -0.423 10.558 -2.604
29 HA ILE 5 HA ILE 5 1.203 8.121 -2.331
30 HB ILE 5 HB ILE 5 3.009 9.816 -2.610
31 1HG1 ILE 5 2HG1 ILE 5 1.441 12.064 -3.355
32 2HG1 ILE 5 1HG1 ILE 5 0.902 11.558 -1.753
33 1HG2 ILE 5 3HG2 ILE 5 1.133 8.961 -4.469
34 2HG2 ILE 5 2HG2 ILE 5 1.208 10.704 -4.722
35 3HG2 ILE 5 1HG2 ILE 5 2.674 9.733 -4.841
36 1HD1 ILE 5 1HD1 ILE 5 3.584 11.351 -1.428
37 2HD1 ILE 5 3HD1 ILE 5 3.520 12.663 -2.605
38 3HD1 ILE 5 2HD1 ILE 5 2.679 12.820 -1.063
39 H ILE 6 H ILE 6 2.997 8.182 -0.611
40 HA ILE 6 HA ILE 6 1.895 9.356 1.928
41 HB ILE 6 HB ILE 6 3.359 7.401 2.890
42 1HG1 ILE 6 2HG1 ILE 6 3.598 5.511 1.360
43 2HG1 ILE 6 1HG1 ILE 6 2.879 6.445 0.048
44 1HG2 ILE 6 3HG2 ILE 6 0.661 7.587 1.847
45 2HG2 ILE 6 2HG2 ILE 6 1.255 5.930 1.749
46 3HG2 ILE 6 1HG2 ILE 6 1.238 6.771 3.300
47 1HD1 ILE 6 2HD1 ILE 6 5.231 7.638 1.428
48 2HD1 ILE 6 1HD1 ILE 6 5.537 6.261 0.377
49 3HD1 ILE 6 3HD1 ILE 6 4.773 7.711 -0.272
50 H ASP 7 H ASP 7 4.240 8.909 3.509
51 HA ASP 7 HA ASP 7 6.272 10.631 2.136
52 1HB ASP 7 2HB ASP 7 4.568 11.815 3.637
53 2HB ASP 7 1HB ASP 7 5.348 10.993 4.989
54 H ILE 8 H ILE 8 6.786 7.948 2.349
55 HA ILE 8 HA ILE 8 8.176 6.314 3.345
56 HB ILE 8 HB ILE 8 10.425 7.201 3.508
57 1HG1 ILE 8 2HG1 ILE 8 9.214 9.978 3.529
58 2HG1 ILE 8 1HG1 ILE 8 9.704 9.147 5.004
59 1HG2 ILE 8 3HG2 ILE 8 8.700 7.578 1.358
60 2HG2 ILE 8 2HG2 ILE 8 9.504 9.139 1.527
61 3HG2 ILE 8 1HG2 ILE 8 10.460 7.674 1.301
62 1HD1 ILE 8 2HD1 ILE 8 11.601 9.461 2.679
63 2HD1 ILE 8 1HD1 ILE 8 11.436 10.716 3.907
64 3HD1 ILE 8 3HD1 ILE 8 11.982 9.103 4.362
65 H GLY 9 H GLY 9 6.255 7.078 5.125
66 1HA GLY 9 2HA GLY 9 7.772 6.967 7.700
67 2HA GLY 9 1HA GLY 9 6.394 8.052 7.549
68 HA PRO 10 HA PRO 10 3.699 4.808 8.606
69 1HB PRO 10 2HB PRO 10 1.521 5.255 7.017
70 2HB PRO 10 1HB PRO 10 1.974 6.314 8.365
71 1HG PRO 10 2HG PRO 10 2.286 6.723 5.460
72 2HG PRO 10 1HG PRO 10 2.075 7.908 6.755
73 1HD PRO 10 2HD PRO 10 4.482 7.253 5.479
74 2HD PRO 10 1HD PRO 10 4.312 8.183 6.980
75 H PHE 11 H PHE 11 3.179 5.048 5.056
76 HA PHE 11 HA PHE 11 2.561 2.380 4.558
77 1HB PHE 11 2HB PHE 11 3.951 4.561 3.043
78 2HB PHE 11 1HB PHE 11 3.838 2.955 2.315
79 HD1 PHE 11 HD2 PHE 11 1.437 4.701 4.590
80 HD2 PHE 11 HD1 PHE 11 2.167 3.150 0.654
81 HE1 PHE 11 HE2 PHE 11 -0.921 5.136 3.986
82 HE2 PHE 11 HE1 PHE 11 -0.192 3.584 0.052
83 HZ PHE 11 HZ PHE 11 -1.739 4.579 1.717
84 H THR 12 H THR 12 5.747 3.818 5.059
85 HA THR 12 HA THR 12 7.452 1.678 4.384
86 HB THR 12 HB THR 12 8.997 2.846 5.713
87 HG1 THR 12 HG1 THR 12 7.176 4.012 7.431
88 1HG2 THR 12 3HG2 THR 12 7.304 4.416 4.287
89 2HG2 THR 12 2HG2 THR 12 7.151 5.112 5.887
90 3HG2 THR 12 1HG2 THR 12 8.731 5.032 5.120
91 H GLN 13 H GLN 13 6.062 2.518 7.493
92 HA GLN 13 HA GLN 13 6.644 0.033 8.831
93 1HB GLN 13 2HB GLN 13 5.686 2.545 9.463
94 2HB GLN 13 1HB GLN 13 4.269 1.526 9.718
95 1HG GLN 13 2HG GLN 13 6.226 0.008 10.880
96 2HG GLN 13 1HG GLN 13 6.802 1.639 11.231
97 1HE2 GLN 13 2HE2 GLN 13 3.285 2.185 12.685
98 2HE2 GLN 13 1HE2 GLN 13 3.939 2.681 11.200
99 H ASN 14 H ASN 14 4.271 0.880 6.526
100 HA ASN 14 HA ASN 14 2.294 -1.143 7.293
101 1HB ASN 14 2HB ASN 14 2.651 0.560 4.819
102 2HB ASN 14 1HB ASN 14 1.203 -0.362 5.214
103 1HD2 ASN 14 2HD2 ASN 14 1.325 2.051 8.322
104 2HD2 ASN 14 1HD2 ASN 14 2.075 0.534 8.208
105 H LEU 15 H LEU 15 4.014 -0.666 4.244
106 HA LEU 15 HA LEU 15 3.731 -3.133 3.058
107 1HB LEU 15 2HB LEU 15 5.748 -2.602 1.873
108 2HB LEU 15 1HB LEU 15 5.028 -1.055 2.316
109 HG LEU 15 HG LEU 15 6.514 -1.384 4.496
110 1HD1 LEU 15 1HD1 LEU 15 7.359 -3.520 2.770
111 2HD1 LEU 15 3HD1 LEU 15 8.689 -2.376 2.956
112 3HD1 LEU 15 2HD1 LEU 15 7.951 -3.112 4.380
113 1HD2 LEU 15 1HD2 LEU 15 6.643 0.464 2.807
114 2HD2 LEU 15 3HD2 LEU 15 8.222 -0.004 3.440
115 3HD2 LEU 15 2HD2 LEU 15 7.718 -0.547 1.839
116 H GLY 16 H GLY 16 5.702 -2.357 5.865
117 1HA GLY 16 2HA GLY 16 7.179 -4.850 5.888
118 2HA GLY 16 1HA GLY 16 7.021 -3.735 7.247
119 H LYS 17 H LYS 17 4.395 -3.670 7.821
120 HA LYS 17 HA LYS 17 3.894 -6.287 8.984
121 1HB LYS 17 2HB LYS 17 2.949 -3.535 9.150
122 2HB LYS 17 1HB LYS 17 1.627 -4.696 9.280
123 1HG LYS 17 2HG LYS 17 2.261 -4.703 11.484
124 2HG LYS 17 1HG LYS 17 3.421 -5.896 10.899
125 1HD LYS 17 2HD LYS 17 5.197 -4.424 10.994
126 2HD LYS 17 1HD LYS 17 4.177 -3.013 10.706
127 1HE LYS 17 2HE LYS 17 4.945 -2.968 13.032
128 2HE LYS 17 1HE LYS 17 3.208 -3.335 13.020
129 1HZ LYS 17 1HZ LYS 17 5.226 -5.488 12.866
130 2HZ LYS 17 3HZ LYS 17 4.735 -4.868 14.367
131 3HZ LYS 17 2HZ LYS 17 3.595 -5.592 13.335
132 H PHE 18 H PHE 18 2.372 -4.359 6.457
133 HA PHE 18 HA PHE 18 0.210 -6.141 5.871
134 1HB PHE 18 2HB PHE 18 1.641 -3.871 4.587
135 2HB PHE 18 1HB PHE 18 0.630 -4.868 3.539
136 HD1 PHE 18 HD1 PHE 18 -1.801 -5.133 4.017
137 HD2 PHE 18 HD2 PHE 18 0.678 -2.435 6.261
138 HE1 PHE 18 HE1 PHE 18 -3.826 -3.991 4.881
139 HE2 PHE 18 HE2 PHE 18 -1.347 -1.293 7.124
140 HZ PHE 18 HZ PHE 18 -3.599 -2.071 6.435
141 H ALA 19 H ALA 19 3.090 -5.602 3.902
142 HA ALA 19 HA ALA 19 2.925 -7.738 2.150
143 1HB ALA 19 2HB ALA 19 4.680 -5.919 2.325
144 2HB ALA 19 1HB ALA 19 5.447 -6.881 3.587
145 3HB ALA 19 3HB ALA 19 5.322 -7.517 1.949
146 H VAL 20 H VAL 20 4.934 -7.973 5.135
147 HA VAL 20 HA VAL 20 5.413 -10.678 5.190
148 HB VAL 20 HB VAL 20 5.412 -10.370 7.655
149 1HG1 VAL 20 3HG1 VAL 20 6.489 -8.018 6.092
150 2HG1 VAL 20 2HG1 VAL 20 6.998 -8.479 7.715
151 3HG1 VAL 20 1HG1 VAL 20 7.316 -9.552 6.353
152 1HG2 VAL 20 3HG2 VAL 20 4.015 -7.802 6.912
153 2HG2 VAL 20 2HG2 VAL 20 3.406 -9.080 7.962
154 3HG2 VAL 20 1HG2 VAL 20 4.756 -8.075 8.489
155 H ASP 21 H ASP 21 2.328 -9.082 5.738
156 HA ASP 21 HA ASP 21 1.074 -11.622 6.645
157 1HB ASP 21 2HB ASP 21 0.754 -9.012 7.361
158 2HB ASP 21 1HB ASP 21 -0.522 -9.167 6.154
159 H GLU 22 H GLU 22 -0.013 -9.118 4.289
160 HA GLU 22 HA GLU 22 -1.596 -10.926 2.788
161 1HB GLU 22 2HB GLU 22 -0.107 -8.431 1.919
162 2HB GLU 22 1HB GLU 22 -1.426 -9.176 1.015
163 1HG GLU 22 2HG GLU 22 -1.554 -7.924 3.769
164 2HG GLU 22 1HG GLU 22 -2.395 -7.402 2.308
165 H GLU 23 H GLU 23 1.840 -10.220 2.583
166 HA GLU 23 HA GLU 23 2.313 -11.765 0.177
167 1HB GLU 23 2HB GLU 23 3.782 -9.960 1.285
168 2HB GLU 23 1HB GLU 23 4.260 -11.214 2.432
169 1HG GLU 23 2HG GLU 23 4.432 -12.249 -0.252
170 2HG GLU 23 1HG GLU 23 5.341 -10.741 -0.140
171 H ASN 24 H ASN 24 3.086 -12.459 3.621
172 HA ASN 24 HA ASN 24 3.663 -15.211 3.294
173 1HB ASN 24 2HB ASN 24 3.929 -13.866 5.386
174 2HB ASN 24 1HB ASN 24 2.172 -13.811 5.551
175 1HD2 ASN 24 2HD2 ASN 24 3.271 -16.658 7.644
176 2HD2 ASN 24 1HD2 ASN 24 3.411 -14.967 7.680
177 H LYS 25 H LYS 25 0.563 -13.547 3.828
178 HA LYS 25 HA LYS 25 -1.142 -15.821 3.754
179 1HB LYS 25 2HB LYS 25 -1.719 -13.457 4.384
180 2HB LYS 25 1HB LYS 25 -1.635 -13.034 2.673
181 1HG LYS 25 2HG LYS 25 -3.313 -15.385 3.229
182 2HG LYS 25 1HG LYS 25 -3.909 -13.895 3.962
183 1HD LYS 25 2HD LYS 25 -4.522 -13.049 1.961
184 2HD LYS 25 1HD LYS 25 -2.974 -13.472 1.229
185 1HE LYS 25 2HE LYS 25 -4.486 -14.829 0.029
186 2HE LYS 25 1HE LYS 25 -3.933 -15.932 1.306
187 1HZ LYS 25 2HZ LYS 25 -5.818 -14.855 2.664
188 2HZ LYS 25 1HZ LYS 25 -6.446 -14.393 1.154
189 3HZ LYS 25 3HZ LYS 25 -6.225 -16.036 1.512
190 H ILE 26 H ILE 26 -0.251 -13.606 1.122
191 HA ILE 26 HA ILE 26 -1.456 -15.062 -0.996
192 HB ILE 26 HB ILE 26 -0.187 -12.702 -0.801
193 1HG1 ILE 26 2HG1 ILE 26 -1.626 -13.140 -2.634
194 2HG1 ILE 26 1HG1 ILE 26 -0.064 -12.751 -3.356
195 1HG2 ILE 26 1HG2 ILE 26 2.012 -14.335 -0.870
196 2HG2 ILE 26 3HG2 ILE 26 1.806 -13.957 -2.578
197 3HG2 ILE 26 2HG2 ILE 26 2.008 -12.658 -1.405
198 1HD1 ILE 26 1HD1 ILE 26 0.430 -15.213 -3.460
199 2HD1 ILE 26 3HD1 ILE 26 -1.218 -15.520 -2.910
200 3HD1 ILE 26 2HD1 ILE 26 -0.938 -14.727 -4.461
201 H GLY 27 H GLY 27 1.332 -15.765 0.877
202 1HA GLY 27 2HA GLY 27 2.523 -17.827 0.906
203 2HA GLY 27 1HA GLY 27 1.718 -18.281 -0.597
204 H GLN 28 H GLN 28 4.145 -15.957 0.631
205 HA GLN 28 HA GLN 28 5.609 -16.312 -1.966
206 1HB GLN 28 2HB GLN 28 4.401 -14.018 -0.816
207 2HB GLN 28 1HB GLN 28 6.143 -13.794 -0.665
208 1HG GLN 28 2HG GLN 28 5.054 -14.798 -3.268
209 2HG GLN 28 1HG GLN 28 4.881 -13.084 -2.887
210 1HE2 GLN 28 2HE2 GLN 28 8.507 -12.598 -2.763
211 2HE2 GLN 28 1HE2 GLN 28 7.126 -12.176 -1.871
212 H TYR 29 H TYR 29 6.400 -14.606 1.066
213 HA TYR 29 HA TYR 29 8.902 -16.225 1.232
214 1HB TYR 29 2HB TYR 29 8.435 -13.512 1.190
215 2HB TYR 29 1HB TYR 29 8.597 -13.837 2.916
216 HD1 TYR 29 HD1 TYR 29 10.240 -14.863 -0.306
217 HD2 TYR 29 HD2 TYR 29 10.740 -13.742 3.810
218 HE1 TYR 29 HE1 TYR 29 12.702 -15.019 -0.562
219 HE2 TYR 29 HE2 TYR 29 13.201 -13.898 3.553
220 HH TYR 29 HH TYR 29 14.788 -15.296 1.865
221 H GLY 30 H GLY 30 6.997 -14.466 3.617
222 1HA GLY 30 2HA GLY 30 5.677 -15.621 5.359
223 2HA GLY 30 1HA GLY 30 6.814 -16.964 5.241
224 H ARG 31 H ARG 31 8.208 -13.821 5.104
225 HA ARG 31 HA ARG 31 8.867 -13.929 8.023
226 1HB ARG 31 2HB ARG 31 10.835 -13.397 5.781
227 2HB ARG 31 1HB ARG 31 11.204 -13.654 7.486
228 1HG ARG 31 2HG ARG 31 9.839 -15.734 5.761
229 2HG ARG 31 1HG ARG 31 11.586 -15.675 5.999
230 1HD ARG 31 2HD ARG 31 10.353 -15.466 8.575
231 2HD ARG 31 1HD ARG 31 9.637 -16.851 7.726
232 HE ARG 31 HE ARG 31 12.290 -17.150 7.143
233 1HH1 ARG 31 2HH1 ARG 31 13.180 -15.662 9.485
234 2HH1 ARG 31 1HH1 ARG 31 13.180 -16.847 10.748
235 1HH2 ARG 31 1HH2 ARG 31 11.159 -19.075 9.023
236 2HH2 ARG 31 2HH2 ARG 31 12.035 -18.778 10.487
237 H LEU 32 H LEU 32 10.863 -11.708 7.322
238 HA LEU 32 HA LEU 32 9.007 -9.484 7.682
239 1HB LEU 32 2HB LEU 32 12.015 -9.773 7.436
240 2HB LEU 32 1HB LEU 32 11.194 -8.286 7.907
241 HG LEU 32 HG LEU 32 11.814 -9.336 9.932
242 1HD1 LEU 32 3HD1 LEU 32 9.311 -8.647 9.538
243 2HD1 LEU 32 2HD1 LEU 32 9.021 -10.379 9.698
244 3HD1 LEU 32 1HD1 LEU 32 9.764 -9.484 11.023
245 1HD2 LEU 32 3HD2 LEU 32 12.111 -11.622 8.716
246 2HD2 LEU 32 2HD2 LEU 32 11.712 -11.608 10.433
247 3HD2 LEU 32 1HD2 LEU 32 10.451 -11.907 9.236
248 H THR 33 H THR 33 8.861 -7.674 6.236
249 HA THR 33 HA THR 33 10.042 -8.025 3.511
250 HB THR 33 HB THR 33 7.282 -6.969 3.666
251 HG1 THR 33 HG1 THR 33 6.447 -9.100 3.938
252 1HG2 THR 33 1HG2 THR 33 9.026 -8.329 1.816
253 2HG2 THR 33 3HG2 THR 33 7.505 -9.211 1.963
254 3HG2 THR 33 2HG2 THR 33 7.497 -7.511 1.496
255 H PHE 34 H PHE 34 11.131 -6.312 5.353
256 HA PHE 34 HA PHE 34 10.710 -3.681 4.117
257 1HB PHE 34 2HB PHE 34 9.898 -2.602 6.114
258 2HB PHE 34 1HB PHE 34 8.885 -4.023 5.858
259 HD1 PHE 34 HD2 PHE 34 9.843 -6.260 6.967
260 HD2 PHE 34 HD1 PHE 34 10.786 -2.268 8.243
261 HE1 PHE 34 HE2 PHE 34 10.486 -7.125 9.201
262 HE2 PHE 34 HE1 PHE 34 11.429 -3.134 10.476
263 HZ PHE 34 HZ PHE 34 11.279 -5.562 10.956
264 H ASN 35 H ASN 35 12.797 -2.889 3.970
265 HA ASN 35 HA ASN 35 14.584 -3.038 6.315
266 1HB ASN 35 2HB ASN 35 14.658 -5.223 4.960
267 2HB ASN 35 1HB ASN 35 15.446 -4.276 3.697
268 1HD2 ASN 35 2HD2 ASN 35 17.455 -4.721 7.269
269 2HD2 ASN 35 1HD2 ASN 35 15.758 -4.685 7.281
270 H LYS 36 H LYS 36 14.848 -2.516 2.756
271 HA LYS 36 HA LYS 36 16.791 -0.415 3.049
272 1HB LYS 36 2HB LYS 36 15.205 -1.721 0.925
273 2HB LYS 36 1HB LYS 36 15.753 -0.084 0.556
274 1HG LYS 36 2HG LYS 36 17.664 -2.077 1.744
275 2HG LYS 36 1HG LYS 36 17.337 -2.092 0.013
276 1HD LYS 36 2HD LYS 36 17.855 0.589 1.127
277 2HD LYS 36 1HD LYS 36 19.230 -0.514 1.210
278 1HE LYS 36 2HE LYS 36 18.691 -1.047 -1.279
279 2HE LYS 36 1HE LYS 36 17.747 0.456 -1.236
280 1HZ LYS 36 3HZ LYS 36 20.571 0.198 -0.345
281 2HZ LYS 36 2HZ LYS 36 20.087 0.844 -1.840
282 3HZ LYS 36 1HZ LYS 36 19.659 1.627 -0.395
283 H VAL 37 H VAL 37 14.119 0.565 1.027
284 HA VAL 37 HA VAL 37 12.988 2.384 3.057
285 HB VAL 37 HB VAL 37 15.022 3.129 0.981
286 1HG1 VAL 37 1HG1 VAL 37 13.023 4.503 0.449
287 2HG1 VAL 37 3HG1 VAL 37 12.972 5.051 2.125
288 3HG1 VAL 37 2HG1 VAL 37 14.338 5.480 1.096
289 1HG2 VAL 37 3HG2 VAL 37 14.543 3.494 3.900
290 2HG2 VAL 37 2HG2 VAL 37 16.037 3.117 3.044
291 3HG2 VAL 37 1HG2 VAL 37 15.422 4.770 3.059
292 H ILE 38 H ILE 38 11.459 4.006 1.926
293 HA ILE 38 HA ILE 38 10.168 2.750 -0.469
294 HB ILE 38 HB ILE 38 8.059 3.754 0.633
295 1HG1 ILE 38 2HG1 ILE 38 9.761 5.023 2.253
296 2HG1 ILE 38 1HG1 ILE 38 8.153 4.555 2.784
297 1HG2 ILE 38 1HG2 ILE 38 9.583 1.342 1.460
298 2HG2 ILE 38 3HG2 ILE 38 8.254 1.824 2.515
299 3HG2 ILE 38 2HG2 ILE 38 7.948 1.477 0.814
300 1HD1 ILE 38 2HD1 ILE 38 10.610 2.827 3.183
301 2HD1 ILE 38 1HD1 ILE 38 9.995 3.939 4.401
302 3HD1 ILE 38 3HD1 ILE 38 9.010 2.575 3.873
303 H ARG 39 H ARG 39 10.860 4.203 -2.090
304 HA ARG 39 HA ARG 39 10.595 7.116 -1.499
305 1HB ARG 39 2HB ARG 39 12.365 5.414 -3.052
306 2HB ARG 39 1HB ARG 39 11.720 6.724 -4.042
307 1HG ARG 39 2HG ARG 39 12.515 7.603 -1.361
308 2HG ARG 39 1HG ARG 39 13.857 6.947 -2.298
309 1HD ARG 39 2HD ARG 39 12.418 8.547 -4.116
310 2HD ARG 39 1HD ARG 39 12.508 9.494 -2.617
311 HE ARG 39 HE ARG 39 15.053 8.398 -2.902
312 1HH1 ARG 39 1HH2 ARG 39 13.818 11.318 -3.369
313 2HH1 ARG 39 2HH2 ARG 39 14.694 11.737 -4.803
314 1HH2 ARG 39 2HH1 ARG 39 15.814 8.506 -5.380
315 2HH2 ARG 39 1HH1 ARG 39 15.824 10.144 -5.942
316 HA PRO 40 HA PRO 40 7.848 6.738 -5.268
317 1HB PRO 40 2HB PRO 40 7.890 4.512 -6.857
318 2HB PRO 40 1HB PRO 40 9.037 5.851 -7.033
319 1HG PRO 40 2HG PRO 40 9.476 3.157 -5.997
320 2HG PRO 40 1HG PRO 40 10.639 4.337 -6.598
321 1HD PRO 40 2HD PRO 40 10.034 3.694 -3.871
322 2HD PRO 40 1HD PRO 40 11.203 4.871 -4.497
323 H CYS 41 H CYS 41 6.997 5.922 -2.821
324 HA CYS 41 HA CYS 41 5.231 3.550 -3.217
325 1HB CYS 41 2HB CYS 41 6.547 3.424 -1.249
326 2HB CYS 41 1HB CYS 41 6.286 5.124 -0.867
327 HG CYS 41 HG CYS 41 4.675 3.741 0.653
328 H MET 42 H MET 42 3.286 4.153 -4.105
329 HA MET 42 HA MET 42 2.004 6.692 -3.155
330 1HB MET 42 2HB MET 42 2.047 5.124 -5.721
331 2HB MET 42 1HB MET 42 0.693 6.203 -5.384
332 1HG MET 42 2HG MET 42 2.808 7.807 -4.734
333 2HG MET 42 1HG MET 42 3.499 6.854 -6.046
334 1HE MET 42 1HE MET 42 3.970 8.627 -7.261
335 2HE MET 42 3HE MET 42 3.147 7.931 -8.663
336 3HE MET 42 2HE MET 42 2.913 9.628 -8.253
337 H LYS 43 H LYS 43 -0.528 6.479 -3.392
338 HA LYS 43 HA LYS 43 -1.515 3.756 -2.709
339 1HB LYS 43 2HB LYS 43 -0.743 5.150 -0.662
340 2HB LYS 43 1HB LYS 43 -2.166 6.139 -0.978
341 1HG LYS 43 2HG LYS 43 -3.106 3.515 -1.147
342 2HG LYS 43 1HG LYS 43 -2.018 3.500 0.240
343 1HD LYS 43 2HD LYS 43 -3.954 4.225 1.277
344 2HD LYS 43 1HD LYS 43 -3.276 5.781 0.798
345 1HE LYS 43 2HE LYS 43 -4.728 5.961 -1.082
346 2HE LYS 43 1HE LYS 43 -5.176 4.246 -0.994
347 1HZ LYS 43 1HZ LYS 43 -5.937 4.797 1.357
348 2HZ LYS 43 3HZ LYS 43 -5.878 6.423 0.880
349 3HZ LYS 43 2HZ LYS 43 -6.917 5.344 0.081
350 H LYS 44 H LYS 44 -3.303 3.484 -3.994
351 HA LYS 44 HA LYS 44 -4.946 5.913 -4.631
352 1HB LYS 44 2HB LYS 44 -3.633 4.548 -6.420
353 2HB LYS 44 1HB LYS 44 -4.882 3.324 -6.186
354 1HG LYS 44 2HG LYS 44 -6.214 4.474 -7.586
355 2HG LYS 44 1HG LYS 44 -6.234 5.799 -6.423
356 1HD LYS 44 2HD LYS 44 -5.151 7.041 -7.959
357 2HD LYS 44 1HD LYS 44 -3.746 6.008 -7.696
358 1HE LYS 44 2HE LYS 44 -4.254 5.995 -10.079
359 2HE LYS 44 1HE LYS 44 -4.720 4.414 -9.423
360 1HZ LYS 44 3HZ LYS 44 -6.555 6.737 -9.671
361 2HZ LYS 44 2HZ LYS 44 -6.492 5.449 -10.776
362 3HZ LYS 44 1HZ LYS 44 -6.968 5.172 -9.169
363 H THR 45 H THR 45 -7.318 5.464 -4.790
364 HA THR 45 HA THR 45 -8.342 2.955 -3.682
365 HB THR 45 HB THR 45 -8.076 5.515 -2.113
366 HG1 THR 45 HG1 THR 45 -7.942 2.998 -0.985
367 1HG2 THR 45 3HG2 THR 45 -10.377 3.705 -2.169
368 2HG2 THR 45 2HG2 THR 45 -9.681 3.884 -0.562
369 3HG2 THR 45 1HG2 THR 45 -10.229 5.305 -1.451
370 H ILE 46 H ILE 46 -10.655 2.849 -3.835
371 HA ILE 46 HA ILE 46 -11.937 5.131 -5.313
372 HB ILE 46 HB ILE 46 -11.502 3.131 -6.725
373 1HG1 ILE 46 2HG1 ILE 46 -14.187 2.528 -6.815
374 2HG1 ILE 46 1HG1 ILE 46 -14.194 4.103 -6.019
375 1HG2 ILE 46 3HG2 ILE 46 -12.169 1.789 -4.300
376 2HG2 ILE 46 2HG2 ILE 46 -13.350 1.300 -5.517
377 3HG2 ILE 46 1HG2 ILE 46 -11.626 1.075 -5.819
378 1HD1 ILE 46 1HD1 ILE 46 -12.310 4.275 -8.130
379 2HD1 ILE 46 3HD1 ILE 46 -13.746 3.499 -8.799
380 3HD1 ILE 46 2HD1 ILE 46 -13.877 5.077 -8.021
381 H TYR 47 H TYR 47 -11.778 4.864 -2.534
382 HA TYR 47 HA TYR 47 -14.125 3.525 -1.467
383 1HB TYR 47 2HB TYR 47 -13.184 4.136 0.606
384 2HB TYR 47 1HB TYR 47 -11.790 3.919 -0.447
385 HD1 TYR 47 HD2 TYR 47 -12.335 6.573 -2.048
386 HD2 TYR 47 HD1 TYR 47 -12.048 5.642 2.137
387 HE1 TYR 47 HE2 TYR 47 -11.630 8.899 -1.580
388 HE2 TYR 47 HE1 TYR 47 -11.344 7.973 2.604
389 HH TYR 47 HH TYR 47 -11.825 10.445 0.741
390 H GLU 48 H GLU 48 -14.502 5.696 0.494
391 HA GLU 48 HA GLU 48 -16.812 6.937 -0.633
392 1HB GLU 48 2HB GLU 48 -17.100 7.556 1.567
393 2HB GLU 48 1HB GLU 48 -15.871 6.314 1.775
394 1HG GLU 48 2HG GLU 48 -14.208 8.340 1.421
395 2HG GLU 48 1HG GLU 48 -15.594 9.290 1.954
396 H ASN 49 H ASN 49 -16.679 9.492 0.441
397 HA ASN 49 HA ASN 49 -14.488 11.038 -0.756
398 1HB ASN 49 2HB ASN 49 -16.255 12.204 -2.264
399 2HB ASN 49 1HB ASN 49 -15.672 10.623 -2.781
400 1HD2 ASN 49 2HD2 ASN 49 -18.856 9.138 -2.573
401 2HD2 ASN 49 1HD2 ASN 49 -17.242 9.010 -3.080
402 H GLU 50 H GLU 50 -17.864 11.059 0.303
403 HA GLU 50 HA GLU 50 -17.379 13.601 1.799
404 1HB GLU 50 2HB GLU 50 -19.679 12.262 0.445
405 2HB GLU 50 1HB GLU 50 -20.042 13.275 1.844
406 1HG GLU 50 2HG GLU 50 -20.137 14.805 0.067
407 2HG GLU 50 1HG GLU 50 -18.497 15.023 0.678
408 H ARG 51 H ARG 51 -18.766 10.300 2.166
409 HA ARG 51 HA ARG 51 -17.943 10.203 4.961
410 1HB ARG 51 2HB ARG 51 -20.361 10.191 5.789
411 2HB ARG 51 1HB ARG 51 -19.723 11.751 5.266
412 1HG ARG 51 2HG ARG 51 -20.830 10.342 3.004
413 2HG ARG 51 1HG ARG 51 -22.030 10.437 4.294
414 1HD ARG 51 2HD ARG 51 -20.459 12.915 3.694
415 2HD ARG 51 1HD ARG 51 -21.738 12.445 2.557
416 HE ARG 51 HE ARG 51 -23.014 12.134 4.940
417 1HH1 ARG 51 2HH1 ARG 51 -21.412 14.681 3.296
418 2HH1 ARG 51 1HH1 ARG 51 -22.010 15.925 4.344
419 1HH2 ARG 51 1HH2 ARG 51 -23.629 13.717 6.472
420 2HH2 ARG 51 2HH2 ARG 51 -23.266 15.379 6.142
421 H GLU 52 H GLU 52 -18.508 8.520 2.266
422 HA GLU 52 HA GLU 52 -19.782 6.166 3.619
423 1HB GLU 52 2HB GLU 52 -20.261 5.424 1.369
424 2HB GLU 52 1HB GLU 52 -20.707 7.126 1.481
425 1HG GLU 52 2HG GLU 52 -18.581 7.777 0.448
426 2HG GLU 52 1HG GLU 52 -18.082 6.087 0.383
427 H ILE 53 H ILE 53 -18.615 4.470 1.511
428 HA ILE 53 HA ILE 53 -15.712 4.453 1.748
429 HB ILE 53 HB ILE 53 -17.464 2.943 3.663
430 1HG1 ILE 53 2HG1 ILE 53 -14.839 3.350 4.627
431 2HG1 ILE 53 1HG1 ILE 53 -15.257 4.811 3.732
432 1HG2 ILE 53 2HG2 ILE 53 -14.996 1.854 2.329
433 2HG2 ILE 53 1HG2 ILE 53 -15.345 1.436 4.007
434 3HG2 ILE 53 3HG2 ILE 53 -16.495 1.020 2.737
435 1HD1 ILE 53 2HD1 ILE 53 -17.554 4.550 5.038
436 2HD1 ILE 53 1HD1 ILE 53 -16.551 3.640 6.167
437 3HD1 ILE 53 3HD1 ILE 53 -16.166 5.323 5.805
438 H LYS 54 H LYS 54 -14.846 2.953 0.212
439 HA LYS 54 HA LYS 54 -16.812 1.047 -0.993
440 1HB LYS 54 2HB LYS 54 -15.849 3.493 -2.108
441 2HB LYS 54 1HB LYS 54 -15.226 2.146 -3.065
442 1HG LYS 54 2HG LYS 54 -17.245 1.839 -3.995
443 2HG LYS 54 1HG LYS 54 -17.951 1.592 -2.397
444 1HD LYS 54 2HD LYS 54 -19.069 3.527 -2.697
445 2HD LYS 54 1HD LYS 54 -17.519 4.354 -2.555
446 1HE LYS 54 2HE LYS 54 -17.242 3.792 -5.092
447 2HE LYS 54 1HE LYS 54 -19.002 3.559 -5.057
448 1HZ LYS 54 2HZ LYS 54 -18.822 5.774 -3.643
449 2HZ LYS 54 1HZ LYS 54 -17.445 5.990 -4.613
450 3HZ LYS 54 3HZ LYS 54 -18.967 5.798 -5.335
451 H GLY 55 H GLY 55 -13.459 1.940 -2.072
452 1HA GLY 55 2HA GLY 55 -12.604 -0.770 -1.162
453 2HA GLY 55 1HA GLY 55 -12.489 -0.410 -2.882
454 H TYR 56 H TYR 56 -10.155 -1.051 -1.786
455 HA TYR 56 HA TYR 56 -8.679 1.514 -1.805
456 1HB TYR 56 2HB TYR 56 -9.132 1.324 0.513
457 2HB TYR 56 1HB TYR 56 -8.890 -0.422 0.501
458 HD1 TYR 56 HD2 TYR 56 -6.598 1.763 -1.356
459 HD2 TYR 56 HD1 TYR 56 -7.274 -0.288 2.357
460 HE1 TYR 56 HE2 TYR 56 -4.219 2.086 -0.742
461 HE2 TYR 56 HE1 TYR 56 -4.894 0.036 2.970
462 HH TYR 56 HH TYR 56 -2.993 2.122 1.914
463 H GLU 57 H GLU 57 -7.277 1.052 -3.452
464 HA GLU 57 HA GLU 57 -5.708 -1.506 -3.300
465 1HB GLU 57 2HB GLU 57 -5.655 -1.278 -5.831
466 2HB GLU 57 1HB GLU 57 -7.263 -1.576 -5.169
467 1HG GLU 57 2HG GLU 57 -6.662 1.269 -5.235
468 2HG GLU 57 1HG GLU 57 -6.527 0.547 -6.838
469 H TYR 58 H TYR 58 -3.527 -1.026 -2.963
470 HA TYR 58 HA TYR 58 -2.639 1.716 -3.829
471 1HB TYR 58 2HB TYR 58 -1.845 2.065 -1.735
472 2HB TYR 58 1HB TYR 58 -2.917 0.744 -1.292
473 HD1 TYR 58 HD1 TYR 58 -1.533 -1.644 -2.301
474 HD2 TYR 58 HD2 TYR 58 0.103 1.867 -0.452
475 HE1 TYR 58 HE1 TYR 58 0.407 -2.956 -1.505
476 HE2 TYR 58 HE2 TYR 58 2.035 0.551 0.343
477 HH TYR 58 HH TYR 58 2.225 -2.346 0.795
478 H GLN 59 H GLN 59 -0.249 1.932 -4.020
479 HA GLN 59 HA GLN 59 1.106 -0.521 -5.067
480 1HB GLN 59 2HB GLN 59 0.852 2.247 -6.297
481 2HB GLN 59 1HB GLN 59 1.968 1.017 -6.890
482 1HG GLN 59 2HG GLN 59 0.301 0.137 -8.115
483 2HG GLN 59 1HG GLN 59 -0.564 -0.237 -6.625
484 1HE2 GLN 59 2HE2 GLN 59 -2.640 2.087 -8.762
485 2HE2 GLN 59 1HE2 GLN 59 -1.903 0.588 -9.065
486 H LEU 60 H LEU 60 3.029 -0.721 -3.922
487 HA LEU 60 HA LEU 60 4.248 1.790 -2.827
488 1HB LEU 60 2HB LEU 60 3.359 0.528 -1.026
489 2HB LEU 60 1HB LEU 60 3.891 -1.001 -1.720
490 HG LEU 60 HG LEU 60 6.222 0.579 -1.405
491 1HD1 LEU 60 2HD1 LEU 60 4.208 1.337 0.489
492 2HD1 LEU 60 1HD1 LEU 60 5.471 0.448 1.338
493 3HD1 LEU 60 3HD1 LEU 60 5.884 1.879 0.397
494 1HD2 LEU 60 1HD2 LEU 60 5.018 -1.832 -0.054
495 2HD2 LEU 60 3HD2 LEU 60 6.393 -1.756 -1.156
496 3HD2 LEU 60 2HD2 LEU 60 6.559 -1.177 0.502
497 H TYR 61 H TYR 61 5.331 1.670 -5.051
498 HA TYR 61 HA TYR 61 7.244 -0.409 -5.655
499 1HB TYR 61 2HB TYR 61 6.399 0.946 -7.390
500 2HB TYR 61 1HB TYR 61 6.691 2.429 -6.484
501 HD1 TYR 61 HD2 TYR 61 9.196 -0.246 -6.478
502 HD2 TYR 61 HD1 TYR 61 7.971 3.413 -8.365
503 HE1 TYR 61 HE2 TYR 61 11.432 -0.039 -7.531
504 HE2 TYR 61 HE1 TYR 61 10.206 3.619 -9.418
505 HH TYR 61 HH TYR 61 12.663 2.654 -8.713
506 H VAL 62 H VAL 62 8.818 -0.810 -4.109
507 HA VAL 62 HA VAL 62 10.684 1.393 -3.448
508 HB VAL 62 HB VAL 62 10.289 1.042 -1.015
509 1HG1 VAL 62 2HG1 VAL 62 9.016 2.772 -2.406
510 2HG1 VAL 62 1HG1 VAL 62 7.665 1.639 -2.401
511 3HG1 VAL 62 3HG1 VAL 62 8.261 2.307 -0.883
512 1HG2 VAL 62 3HG2 VAL 62 8.277 -0.905 -2.116
513 2HG2 VAL 62 2HG2 VAL 62 9.456 -1.143 -0.826
514 3HG2 VAL 62 1HG2 VAL 62 8.023 -0.156 -0.539
515 H TYR 63 H TYR 63 11.916 0.119 -1.300
516 HA TYR 63 HA TYR 63 12.627 -2.598 -2.293
517 1HB TYR 63 2HB TYR 63 14.152 -0.898 -3.280
518 2HB TYR 63 1HB TYR 63 14.575 -0.362 -1.654
519 HD1 TYR 63 HD1 TYR 63 13.885 -3.910 -1.994
520 HD2 TYR 63 HD2 TYR 63 16.955 -0.924 -2.306
521 HE1 TYR 63 HE1 TYR 63 15.618 -5.676 -1.854
522 HE2 TYR 63 HE2 TYR 63 18.690 -2.692 -2.170
523 HH TYR 63 HH TYR 63 18.157 -5.702 -1.065
524 H ALA 64 H ALA 64 12.738 -3.988 -0.581
525 HA ALA 64 HA ALA 64 13.152 -2.834 2.154
526 1HB ALA 64 1HB ALA 64 11.469 -5.157 1.179
527 2HB ALA 64 3HB ALA 64 11.616 -4.656 2.859
528 3HB ALA 64 2HB ALA 64 10.857 -3.582 1.685
529 H SER 65 H SER 65 12.944 -5.967 2.734
530 HA SER 65 HA SER 65 15.862 -6.404 2.656
531 1HB SER 65 2HB SER 65 15.388 -7.859 4.371
532 2HB SER 65 1HB SER 65 13.850 -7.000 4.409
533 HG SER 65 HG SER 65 14.426 -9.555 3.632
534 H ASP 66 H ASP 66 13.037 -7.192 0.850
535 HA ASP 66 HA ASP 66 14.593 -8.649 -1.162
536 1HB ASP 66 2HB ASP 66 13.146 -10.698 -0.910
537 2HB ASP 66 1HB ASP 66 14.192 -10.406 0.480
538 H LYS 67 H LYS 67 12.652 -6.302 -0.734
539 HA LYS 67 HA LYS 67 10.585 -7.071 -2.781
540 1HB LYS 67 2HB LYS 67 9.561 -6.517 -0.713
541 2HB LYS 67 1HB LYS 67 10.642 -5.146 -0.462
542 1HG LYS 67 2HG LYS 67 9.371 -4.748 -2.971
543 2HG LYS 67 1HG LYS 67 8.118 -5.189 -1.816
544 1HD LYS 67 2HD LYS 67 10.216 -3.098 -1.220
545 2HD LYS 67 1HD LYS 67 8.658 -2.705 -1.948
546 1HE LYS 67 2HE LYS 67 9.128 -3.989 0.765
547 2HE LYS 67 1HE LYS 67 8.398 -2.405 0.437
548 1HZ LYS 67 2HZ LYS 67 6.913 -3.942 -1.125
549 2HZ LYS 67 1HZ LYS 67 7.269 -5.068 0.097
550 3HZ LYS 67 3HZ LYS 67 6.500 -3.609 0.488
551 H LEU 68 H LEU 68 12.528 -6.513 -4.236
552 HA LEU 68 HA LEU 68 13.208 -3.664 -4.532
553 1HB LEU 68 2HB LEU 68 13.747 -6.153 -6.193
554 2HB LEU 68 1HB LEU 68 14.474 -4.575 -6.499
555 HG LEU 68 HG LEU 68 14.710 -5.572 -3.721
556 1HD1 LEU 68 2HD1 LEU 68 15.061 -7.587 -5.289
557 2HD1 LEU 68 1HD1 LEU 68 16.501 -6.739 -5.853
558 3HD1 LEU 68 3HD1 LEU 68 16.364 -7.214 -4.161
559 1HD2 LEU 68 2HD2 LEU 68 16.394 -4.125 -5.762
560 2HD2 LEU 68 1HD2 LEU 68 15.847 -3.559 -4.184
561 3HD2 LEU 68 3HD2 LEU 68 17.125 -4.770 -4.292
562 H PHE 69 H PHE 69 10.495 -3.805 -4.634
563 HA PHE 69 HA PHE 69 9.880 -2.870 -7.319
564 1HB PHE 69 2HB PHE 69 8.011 -5.008 -6.949
565 2HB PHE 69 1HB PHE 69 9.185 -4.816 -8.242
566 HD1 PHE 69 HD2 PHE 69 8.586 -6.267 -4.883
567 HD2 PHE 69 HD1 PHE 69 11.209 -6.116 -8.280
568 HE1 PHE 69 HE2 PHE 69 9.818 -8.239 -4.021
569 HE2 PHE 69 HE1 PHE 69 12.439 -8.088 -7.420
570 HZ PHE 69 HZ PHE 69 11.744 -9.150 -5.289
571 H ARG 70 H ARG 70 7.039 -3.494 -7.109
572 HA ARG 70 HA ARG 70 6.355 -1.673 -4.855
573 1HB ARG 70 2HB ARG 70 5.771 -0.853 -7.048
574 2HB ARG 70 1HB ARG 70 5.028 -2.394 -7.474
575 1HG ARG 70 2HG ARG 70 3.542 -1.859 -5.304
576 2HG ARG 70 1HG ARG 70 3.969 -0.200 -5.727
577 1HD ARG 70 2HD ARG 70 2.785 -2.193 -7.693
578 2HD ARG 70 1HD ARG 70 1.846 -0.960 -6.829
579 HE ARG 70 HE ARG 70 3.607 0.676 -7.862
580 1HH1 ARG 70 1HH2 ARG 70 1.575 -1.550 -9.357
581 2HH1 ARG 70 2HH2 ARG 70 2.236 -1.349 -10.945
582 1HH2 ARG 70 2HH1 ARG 70 4.866 0.647 -9.884
583 2HH2 ARG 70 1HH1 ARG 70 4.099 -0.105 -11.244
584 H ALA 71 H ALA 71 5.484 -2.612 -3.121
585 HA ALA 71 HA ALA 71 4.285 -5.288 -3.265
586 1HB ALA 71 3HB ALA 71 5.163 -3.303 -1.253
587 2HB ALA 71 2HB ALA 71 3.737 -4.225 -0.780
588 3HB ALA 71 1HB ALA 71 5.235 -5.064 -1.185
589 H ASP 72 H ASP 72 2.288 -5.252 -4.311
590 HA ASP 72 HA ASP 72 0.526 -2.906 -4.047
591 1HB ASP 72 2HB ASP 72 1.077 -4.674 -6.027
592 2HB ASP 72 1HB ASP 72 -0.366 -5.427 -5.347
593 H ILE 73 H ILE 73 -1.734 -3.173 -3.327
594 HA ILE 73 HA ILE 73 -2.462 -5.572 -1.827
595 HB ILE 73 HB ILE 73 -0.845 -3.839 -0.508
596 1HG1 ILE 73 2HG1 ILE 73 -1.540 -6.039 0.288
597 2HG1 ILE 73 1HG1 ILE 73 -1.757 -4.847 1.571
598 1HG2 ILE 73 2HG2 ILE 73 -2.637 -2.042 -0.690
599 2HG2 ILE 73 1HG2 ILE 73 -3.624 -3.035 0.380
600 3HG2 ILE 73 3HG2 ILE 73 -2.083 -2.389 0.946
601 1HD1 ILE 73 3HD1 ILE 73 -4.173 -4.712 0.276
602 2HD1 ILE 73 2HD1 ILE 73 -3.775 -6.422 0.111
603 3HD1 ILE 73 1HD1 ILE 73 -3.863 -5.689 1.712
604 H SER 74 H SER 74 -4.523 -5.756 -2.539
605 HA SER 74 HA SER 74 -6.157 -3.284 -2.903
606 1HB SER 74 2HB SER 74 -5.666 -5.468 -4.500
607 2HB SER 74 1HB SER 74 -7.163 -5.964 -3.715
608 HG SER 74 HG SER 74 -8.135 -4.093 -4.459
609 H GLU 75 H GLU 75 -8.155 -3.083 -1.693
610 HA GLU 75 HA GLU 75 -8.968 -5.368 0.005
611 1HB GLU 75 2HB GLU 75 -7.383 -3.073 0.873
612 2HB GLU 75 1HB GLU 75 -8.847 -3.278 1.834
613 1HG GLU 75 2HG GLU 75 -8.255 -5.670 2.177
614 2HG GLU 75 1HG GLU 75 -6.754 -5.403 1.292
615 H ASP 76 H ASP 76 -11.059 -5.420 -0.660
616 HA ASP 76 HA ASP 76 -12.774 -3.367 -1.459
617 1HB ASP 76 2HB ASP 76 -14.534 -4.998 -0.541
618 2HB ASP 76 1HB ASP 76 -13.374 -5.668 -1.687
619 H TYR 77 H TYR 77 -14.779 -2.655 -0.144
620 HA TYR 77 HA TYR 77 -14.232 -2.228 2.748
621 1HB TYR 77 2HB TYR 77 -13.556 -0.364 0.766
622 2HB TYR 77 1HB TYR 77 -15.087 0.227 1.414
623 HD1 TYR 77 HD1 TYR 77 -14.636 -1.111 4.206
624 HD2 TYR 77 HD2 TYR 77 -12.232 1.453 1.737
625 HE1 TYR 77 HE1 TYR 77 -13.462 -0.271 6.223
626 HE2 TYR 77 HE2 TYR 77 -11.057 2.293 3.753
627 HH TYR 77 HH TYR 77 -11.837 2.428 6.410
628 H LYS 78 H LYS 78 -16.427 -0.683 0.393
629 HA LYS 78 HA LYS 78 -18.735 -1.922 1.863
630 1HB LYS 78 2HB LYS 78 -18.084 0.697 1.823
631 2HB LYS 78 1HB LYS 78 -19.030 0.624 0.337
632 1HG LYS 78 2HG LYS 78 -20.560 1.142 2.124
633 2HG LYS 78 1HG LYS 78 -20.848 -0.535 1.662
634 1HD LYS 78 2HD LYS 78 -20.754 -0.616 4.019
635 2HD LYS 78 1HD LYS 78 -19.142 -1.128 3.517
636 1HE LYS 78 2HE LYS 78 -18.502 1.384 3.708
637 2HE LYS 78 1HE LYS 78 -19.991 1.534 4.663
638 1HZ LYS 78 3HZ LYS 78 -18.073 -0.649 5.180
639 2HZ LYS 78 2HZ LYS 78 -17.846 0.880 5.883
640 3HZ LYS 78 1HZ LYS 78 -19.256 -0.008 6.214
641 H THR 79 H THR 79 -17.377 -0.905 -1.239
642 HA THR 79 HA THR 79 -19.643 -2.068 -2.753
643 HB THR 79 HB THR 79 -17.110 -0.540 -3.383
644 HG1 THR 79 HG1 THR 79 -18.965 0.681 -4.459
645 1HG2 THR 79 3HG2 THR 79 -18.807 -2.205 -5.188
646 2HG2 THR 79 2HG2 THR 79 -18.264 -0.639 -5.791
647 3HG2 THR 79 1HG2 THR 79 -17.082 -1.845 -5.282
648 H ARG 80 H ARG 80 -17.219 -3.411 -1.112
649 HA ARG 80 HA ARG 80 -16.182 -5.515 -1.227
650 1HB ARG 80 2HB ARG 80 -18.449 -5.533 -3.042
651 2HB ARG 80 1HB ARG 80 -17.161 -6.579 -3.637
652 1HG ARG 80 2HG ARG 80 -18.146 -8.082 -2.214
653 2HG ARG 80 1HG ARG 80 -17.116 -7.273 -1.032
654 1HD ARG 80 2HD ARG 80 -19.847 -6.145 -1.606
655 2HD ARG 80 1HD ARG 80 -19.683 -7.531 -0.510
656 HE ARG 80 HE ARG 80 -18.836 -4.827 0.082
657 1HH1 ARG 80 1HH2 ARG 80 -19.194 -7.839 1.392
658 2HH1 ARG 80 2HH2 ARG 80 -17.826 -7.763 2.451
659 1HH2 ARG 80 2HH1 ARG 80 -16.569 -4.850 1.050
660 2HH2 ARG 80 1HH1 ARG 80 -16.340 -6.070 2.258
661 H GLY 81 H GLY 81 -14.539 -3.532 -2.038
662 1HA GLY 81 2HA GLY 81 -13.564 -3.486 -4.672
663 2HA GLY 81 1HA GLY 81 -12.547 -3.227 -3.256
664 H ARG 82 H ARG 82 -11.171 -4.904 -2.586
665 HA ARG 82 HA ARG 82 -11.541 -7.623 -3.671
666 1HB ARG 82 2HB ARG 82 -9.793 -5.548 -4.788
667 2HB ARG 82 1HB ARG 82 -8.949 -7.058 -4.440
668 1HG ARG 82 2HG ARG 82 -10.289 -8.298 -5.903
669 2HG ARG 82 1HG ARG 82 -11.595 -7.114 -5.864
670 1HD ARG 82 2HD ARG 82 -10.751 -6.125 -7.715
671 2HD ARG 82 1HD ARG 82 -9.228 -5.818 -6.858
672 HE ARG 82 HE ARG 82 -8.833 -8.383 -7.422
673 1HH1 ARG 82 1HH1 ARG 82 -9.737 -8.724 -10.848
674 2HH1 ARG 82 2HH1 ARG 82 -9.973 -9.550 -9.343
675 1HH2 ARG 82 1HH2 ARG 82 -8.694 -5.767 -9.368
676 2HH2 ARG 82 2HH2 ARG 82 -9.013 -6.585 -10.862
677 H LYS 83 H LYS 83 -9.046 -8.611 -3.248
678 HA LYS 83 HA LYS 83 -7.961 -7.790 -0.635
679 1HB LYS 83 2HB LYS 83 -9.352 -10.462 -1.066
680 2HB LYS 83 1HB LYS 83 -8.537 -9.956 0.413
681 1HG LYS 83 2HG LYS 83 -10.136 -7.979 0.482
682 2HG LYS 83 1HG LYS 83 -11.040 -8.774 -0.809
683 1HD LYS 83 2HD LYS 83 -11.207 -10.812 0.658
684 2HD LYS 83 1HD LYS 83 -10.486 -9.868 1.962
685 1HE LYS 83 2HE LYS 83 -12.345 -8.373 2.053
686 2HE LYS 83 1HE LYS 83 -12.974 -8.946 0.496
687 1HZ LYS 83 1HZ LYS 83 -13.203 -11.167 1.481
688 2HZ LYS 83 3HZ LYS 83 -12.713 -10.552 2.983
689 3HZ LYS 83 2HZ LYS 83 -14.165 -10.019 2.282
690 H LEU 84 H LEU 84 -5.898 -7.692 -1.681
691 HA LEU 84 HA LEU 84 -4.545 -10.232 -2.142
692 1HB LEU 84 2HB LEU 84 -4.342 -10.001 -4.554
693 2HB LEU 84 1HB LEU 84 -6.055 -9.889 -4.142
694 HG LEU 84 HG LEU 84 -4.960 -7.269 -3.951
695 1HD1 LEU 84 3HD1 LEU 84 -3.863 -8.916 -6.156
696 2HD1 LEU 84 2HD1 LEU 84 -4.523 -7.353 -6.635
697 3HD1 LEU 84 1HD1 LEU 84 -3.233 -7.434 -5.436
698 1HD2 LEU 84 2HD2 LEU 84 -7.299 -7.956 -4.516
699 2HD2 LEU 84 1HD2 LEU 84 -6.634 -6.796 -5.665
700 3HD2 LEU 84 3HD2 LEU 84 -6.723 -8.505 -6.090
701 H LEU 85 H LEU 85 -2.406 -9.552 -3.561
702 HA LEU 85 HA LEU 85 -1.429 -6.863 -3.177
703 1HB LEU 85 2HB LEU 85 -0.673 -7.034 -1.049
704 2HB LEU 85 1HB LEU 85 -1.476 -8.594 -0.943
705 HG LEU 85 HG LEU 85 1.289 -8.312 -2.123
706 1HD1 LEU 85 2HD1 LEU 85 0.745 -7.561 0.426
707 2HD1 LEU 85 1HD1 LEU 85 0.977 -9.293 0.650
708 3HD1 LEU 85 3HD1 LEU 85 2.261 -8.318 -0.058
709 1HD2 LEU 85 1HD2 LEU 85 -0.608 -10.432 -1.760
710 2HD2 LEU 85 3HD2 LEU 85 1.012 -10.529 -2.450
711 3HD2 LEU 85 2HD2 LEU 85 0.777 -10.749 -0.716
712 H ARG 86 H ARG 86 1.005 -6.807 -3.757
713 HA ARG 86 HA ARG 86 1.864 -9.227 -5.282
714 1HB ARG 86 2HB ARG 86 1.737 -6.409 -6.395
715 2HB ARG 86 1HB ARG 86 2.204 -7.865 -7.274
716 1HG ARG 86 2HG ARG 86 -0.182 -8.703 -6.432
717 2HG ARG 86 1HG ARG 86 -0.509 -6.970 -6.395
718 1HD ARG 86 2HD ARG 86 0.704 -8.331 -8.818
719 2HD ARG 86 1HD ARG 86 -1.046 -8.117 -8.612
720 HE ARG 86 HE ARG 86 -0.073 -5.603 -8.081
721 1HH1 ARG 86 1HH2 ARG 86 -0.116 -7.821 -10.699
722 2HH1 ARG 86 2HH2 ARG 86 0.392 -6.658 -11.877
723 1HH2 ARG 86 2HH1 ARG 86 0.809 -4.105 -9.568
724 2HH2 ARG 86 1HH1 ARG 86 0.915 -4.555 -11.237
725 H PHE 87 H PHE 87 4.123 -8.517 -6.377
726 HA PHE 87 HA PHE 87 5.800 -6.787 -4.649
727 1HB PHE 87 2HB PHE 87 6.445 -9.729 -4.982
728 2HB PHE 87 1HB PHE 87 7.171 -8.582 -3.858
729 HD1 PHE 87 HD1 PHE 87 5.909 -7.789 -1.868
730 HD2 PHE 87 HD2 PHE 87 4.325 -10.786 -4.510
731 HE1 PHE 87 HE1 PHE 87 4.213 -8.404 -0.164
732 HE2 PHE 87 HE2 PHE 87 2.631 -11.397 -2.802
733 HZ PHE 87 HZ PHE 87 2.581 -10.198 -0.638
734 H ASN 88 H ASN 88 5.557 -5.998 -7.135
735 HA ASN 88 HA ASN 88 8.046 -6.895 -8.460
736 1HB ASN 88 2HB ASN 88 6.457 -7.065 -10.615
737 2HB ASN 88 1HB ASN 88 6.817 -8.445 -9.587
738 1HD2 ASN 88 2HD2 ASN 88 3.478 -8.796 -8.486
739 2HD2 ASN 88 1HD2 ASN 88 5.061 -9.407 -8.464
740 H GLY 89 H GLY 89 7.569 -5.713 -10.984
741 1HA GLY 89 2HA GLY 89 7.520 -3.584 -12.023
742 2HA GLY 89 1HA GLY 89 6.652 -2.963 -10.603
743 HA PRO 90 HA PRO 90 11.099 -3.513 -8.992
744 1HB PRO 90 2HB PRO 90 12.995 -4.322 -10.818
745 2HB PRO 90 1HB PRO 90 12.063 -5.435 -9.793
746 1HG PRO 90 2HG PRO 90 11.573 -4.620 -12.626
747 2HG PRO 90 1HG PRO 90 11.504 -6.233 -11.892
748 1HD PRO 90 2HD PRO 90 9.272 -4.843 -12.372
749 2HD PRO 90 1HD PRO 90 9.435 -5.847 -10.912
750 H VAL 91 HN VAL 91 13.311 -2.340 -9.451
751 HA VAL 91 HA VAL 91 12.740 0.325 -10.398
752 HB VAL 91 HB VAL 91 15.452 -0.930 -9.922
753 1HG1 VAL 91 3HG1 VAL 91 14.255 1.826 -9.577
754 2HG1 VAL 91 2HG1 VAL 91 15.798 1.367 -8.860
755 3HG1 VAL 91 1HG1 VAL 91 15.601 1.351 -10.613
756 1HG2 VAL 91 2HG2 VAL 91 13.189 -0.478 -8.036
757 2HG2 VAL 91 1HG2 VAL 91 14.496 -1.659 -7.959
758 3HG2 VAL 91 3HG2 VAL 91 14.788 0.014 -7.481
No H/Q in entry = 758
Start of MODEL 12
1 1H GLY 1 2H GLY 1 -11.813 9.515 -2.596
2 2H GLY 1 1H GLY 1 -12.561 8.209 -1.808
3 3H GLY 1 3H GLY 1 -11.281 9.030 -1.058
4 1HA GLY 1 2HA GLY 1 -10.268 7.115 -1.843
5 2HA GLY 1 1HA GLY 1 -11.194 7.167 -3.344
6 H GLU 2 H GLU 2 -10.146 7.989 -5.082
7 HA GLU 2 HA GLU 2 -8.649 9.338 -6.343
8 1HB GLU 2 2HB GLU 2 -7.871 10.706 -3.772
9 2HB GLU 2 1HB GLU 2 -8.019 11.396 -5.387
10 1HG GLU 2 2HG GLU 2 -10.574 10.432 -4.853
11 2HG GLU 2 1HG GLU 2 -10.048 11.097 -3.306
12 H TRP 3 H TRP 3 -6.113 10.373 -5.161
13 HA TRP 3 HA TRP 3 -4.762 7.861 -4.321
14 1HB TRP 3 2HB TRP 3 -3.200 7.992 -6.143
15 2HB TRP 3 1HB TRP 3 -4.808 8.151 -6.847
16 HD1 TRP 3 HD1 TRP 3 -5.635 10.896 -6.969
17 HE1 TRP 3 HE1 TRP 3 -4.245 12.863 -7.889
18 HE3 TRP 3 HE3 TRP 3 -0.947 8.903 -6.616
19 HZ2 TRP 3 HZ2 TRP 3 -1.506 13.506 -8.405
20 HZ3 TRP 3 HZ3 TRP 3 1.033 10.212 -7.327
21 HH2 TRP 3 HH2 TRP 3 0.760 12.509 -8.221
22 H GLU 4 H GLU 4 -2.417 8.337 -3.722
23 HA GLU 4 HA GLU 4 -1.454 10.984 -3.249
24 1HB GLU 4 2HB GLU 4 -3.194 11.425 -1.766
25 2HB GLU 4 1HB GLU 4 -3.326 9.742 -1.262
26 1HG GLU 4 2HG GLU 4 -2.391 11.039 0.571
27 2HG GLU 4 1HG GLU 4 -1.138 9.977 -0.072
28 H ILE 5 H ILE 5 0.718 10.512 -3.166
29 HA ILE 5 HA ILE 5 1.770 7.932 -2.450
30 HB ILE 5 HB ILE 5 3.845 9.006 -2.964
31 1HG1 ILE 5 2HG1 ILE 5 2.381 11.584 -2.354
32 2HG1 ILE 5 1HG1 ILE 5 3.731 10.895 -1.451
33 1HG2 ILE 5 3HG2 ILE 5 1.556 9.328 -4.595
34 2HG2 ILE 5 2HG2 ILE 5 2.486 10.822 -4.724
35 3HG2 ILE 5 1HG2 ILE 5 3.242 9.275 -5.110
36 1HD1 ILE 5 3HD1 ILE 5 5.096 11.068 -3.594
37 2HD1 ILE 5 2HD1 ILE 5 3.773 12.028 -4.257
38 3HD1 ILE 5 1HD1 ILE 5 4.662 12.606 -2.848
39 H ILE 6 H ILE 6 3.862 8.237 -0.789
40 HA ILE 6 HA ILE 6 2.773 9.478 1.716
41 HB ILE 6 HB ILE 6 4.370 6.969 1.904
42 1HG1 ILE 6 2HG1 ILE 6 2.802 6.543 -0.016
43 2HG1 ILE 6 1HG1 ILE 6 2.461 5.538 1.387
44 1HG2 ILE 6 2HG2 ILE 6 3.213 8.422 3.748
45 2HG2 ILE 6 1HG2 ILE 6 1.745 7.597 3.229
46 3HG2 ILE 6 3HG2 ILE 6 3.107 6.667 3.848
47 1HD1 ILE 6 2HD1 ILE 6 1.013 7.987 1.683
48 2HD1 ILE 6 1HD1 ILE 6 0.708 7.358 0.064
49 3HD1 ILE 6 3HD1 ILE 6 0.369 6.357 1.476
50 H ASP 7 H ASP 7 5.309 8.162 3.002
51 HA ASP 7 HA ASP 7 7.376 9.942 1.788
52 1HB ASP 7 2HB ASP 7 6.679 9.840 4.729
53 2HB ASP 7 1HB ASP 7 7.763 10.976 3.924
54 H ILE 8 H ILE 8 8.968 9.502 4.180
55 HA ILE 8 HA ILE 8 9.765 6.658 3.731
56 HB ILE 8 HB ILE 8 11.341 8.460 2.978
57 1HG1 ILE 8 2HG1 ILE 8 12.396 7.040 5.436
58 2HG1 ILE 8 1HG1 ILE 8 12.102 6.215 3.905
59 1HG2 ILE 8 3HG2 ILE 8 10.596 9.536 5.550
60 2HG2 ILE 8 2HG2 ILE 8 12.347 9.333 5.474
61 3HG2 ILE 8 1HG2 ILE 8 11.519 10.305 4.257
62 1HD1 ILE 8 1HD1 ILE 8 13.600 8.663 3.481
63 2HD1 ILE 8 3HD1 ILE 8 14.424 7.616 4.637
64 3HD1 ILE 8 2HD1 ILE 8 14.021 7.010 3.031
65 H GLY 9 H GLY 9 7.710 7.197 5.497
66 1HA GLY 9 2HA GLY 9 8.947 6.353 8.034
67 2HA GLY 9 1HA GLY 9 8.133 7.910 8.115
68 HA PRO 10 HA PRO 10 4.210 6.150 8.638
69 1HB PRO 10 2HB PRO 10 2.621 6.972 6.555
70 2HB PRO 10 1HB PRO 10 3.135 8.030 7.886
71 1HG PRO 10 2HG PRO 10 4.271 7.760 5.141
72 2HG PRO 10 1HG PRO 10 3.967 9.221 6.097
73 1HD PRO 10 2HD PRO 10 6.423 8.159 5.860
74 2HD PRO 10 1HD PRO 10 5.895 8.963 7.348
75 H PHE 11 H PHE 11 4.254 5.863 5.035
76 HA PHE 11 HA PHE 11 3.017 3.281 5.142
77 1HB PHE 11 2HB PHE 11 3.972 5.165 3.180
78 2HB PHE 11 1HB PHE 11 4.426 3.524 2.711
79 HD1 PHE 11 HD1 PHE 11 1.554 5.645 3.780
80 HD2 PHE 11 HD2 PHE 11 2.795 1.944 1.989
81 HE1 PHE 11 HE1 PHE 11 -0.795 5.161 3.157
82 HE2 PHE 11 HE2 PHE 11 0.443 1.462 1.369
83 HZ PHE 11 HZ PHE 11 -1.351 3.069 1.949
84 H THR 12 H THR 12 6.358 4.250 5.428
85 HA THR 12 HA THR 12 7.790 1.964 4.675
86 HB THR 12 HB THR 12 9.388 2.732 6.256
87 HG1 THR 12 HG1 THR 12 8.152 4.336 7.886
88 1HG2 THR 12 2HG2 THR 12 8.615 4.500 4.574
89 2HG2 THR 12 1HG2 THR 12 7.747 5.221 5.922
90 3HG2 THR 12 3HG2 THR 12 9.499 5.073 5.981
91 H GLN 13 H GLN 13 6.281 2.741 7.756
92 HA GLN 13 HA GLN 13 6.563 0.155 8.974
93 1HB GLN 13 2HB GLN 13 5.812 2.653 9.742
94 2HB GLN 13 1HB GLN 13 4.242 1.851 9.691
95 1HG GLN 13 2HG GLN 13 4.830 1.249 11.826
96 2HG GLN 13 1HG GLN 13 5.653 -0.054 10.970
97 1HE2 GLN 13 2HE2 GLN 13 8.059 3.116 12.026
98 2HE2 GLN 13 1HE2 GLN 13 6.525 3.427 11.370
99 H ASN 14 H ASN 14 4.162 1.501 6.825
100 HA ASN 14 HA ASN 14 2.103 -0.471 7.205
101 1HB ASN 14 2HB ASN 14 2.881 1.451 5.023
102 2HB ASN 14 1HB ASN 14 1.517 0.356 4.815
103 1HD2 ASN 14 2HD2 ASN 14 1.184 3.063 7.903
104 2HD2 ASN 14 1HD2 ASN 14 2.688 2.333 7.611
105 H LEU 15 H LEU 15 4.433 -0.128 4.561
106 HA LEU 15 HA LEU 15 4.076 -2.461 3.137
107 1HB LEU 15 2HB LEU 15 5.780 -0.971 2.449
108 2HB LEU 15 1HB LEU 15 6.526 -0.948 4.045
109 HG LEU 15 HG LEU 15 7.265 -3.264 3.767
110 1HD1 LEU 15 1HD1 LEU 15 5.192 -3.611 2.120
111 2HD1 LEU 15 3HD1 LEU 15 6.426 -3.284 0.904
112 3HD1 LEU 15 2HD1 LEU 15 6.627 -4.631 2.022
113 1HD2 LEU 15 1HD2 LEU 15 8.624 -1.329 2.845
114 2HD2 LEU 15 3HD2 LEU 15 8.958 -2.889 2.094
115 3HD2 LEU 15 2HD2 LEU 15 7.951 -1.707 1.260
116 H GLY 16 H GLY 16 6.514 -2.294 5.745
117 1HA GLY 16 2HA GLY 16 7.003 -4.996 6.105
118 2HA GLY 16 1HA GLY 16 6.994 -3.857 7.454
119 H LYS 17 H LYS 17 4.121 -3.213 7.019
120 HA LYS 17 HA LYS 17 3.007 -5.477 8.547
121 1HB LYS 17 2HB LYS 17 1.993 -2.744 7.737
122 2HB LYS 17 1HB LYS 17 1.086 -3.863 8.753
123 1HG LYS 17 2HG LYS 17 3.882 -2.896 9.403
124 2HG LYS 17 1HG LYS 17 2.416 -2.155 10.046
125 1HD LYS 17 2HD LYS 17 1.780 -4.511 10.854
126 2HD LYS 17 1HD LYS 17 3.456 -4.950 10.522
127 1HE LYS 17 2HE LYS 17 4.244 -3.189 12.053
128 2HE LYS 17 1HE LYS 17 2.567 -2.707 12.372
129 1HZ LYS 17 3HZ LYS 17 3.257 -5.539 12.632
130 2HZ LYS 17 2HZ LYS 17 3.772 -4.489 13.866
131 3HZ LYS 17 1HZ LYS 17 2.119 -4.622 13.493
132 H PHE 18 H PHE 18 1.256 -3.548 6.212
133 HA PHE 18 HA PHE 18 -0.492 -5.435 5.228
134 1HB PHE 18 2HB PHE 18 0.779 -2.971 4.263
135 2HB PHE 18 1HB PHE 18 0.205 -4.011 2.960
136 HD1 PHE 18 HD1 PHE 18 -2.196 -5.185 3.636
137 HD2 PHE 18 HD2 PHE 18 -0.748 -1.366 4.968
138 HE1 PHE 18 HE1 PHE 18 -4.525 -4.455 4.074
139 HE2 PHE 18 HE2 PHE 18 -3.078 -0.636 5.406
140 HZ PHE 18 HZ PHE 18 -4.966 -2.181 4.959
141 H ALA 19 H ALA 19 2.909 -5.231 4.524
142 HA ALA 19 HA ALA 19 2.813 -7.151 2.310
143 1HB ALA 19 3HB ALA 19 4.479 -5.252 2.660
144 2HB ALA 19 2HB ALA 19 5.183 -6.218 3.956
145 3HB ALA 19 1HB ALA 19 5.200 -6.820 2.298
146 H VAL 20 H VAL 20 4.661 -7.309 5.376
147 HA VAL 20 HA VAL 20 5.130 -10.019 5.538
148 HB VAL 20 HB VAL 20 5.676 -8.077 7.145
149 1HG1 VAL 20 1HG1 VAL 20 2.971 -8.951 8.199
150 2HG1 VAL 20 3HG1 VAL 20 4.136 -8.026 9.146
151 3HG1 VAL 20 2HG1 VAL 20 3.444 -7.333 7.681
152 1HG2 VAL 20 3HG2 VAL 20 5.786 -10.807 7.428
153 2HG2 VAL 20 2HG2 VAL 20 6.479 -9.656 8.572
154 3HG2 VAL 20 1HG2 VAL 20 4.877 -10.336 8.865
155 H ASP 21 H ASP 21 2.006 -8.441 5.870
156 HA ASP 21 HA ASP 21 0.738 -10.920 6.894
157 1HB ASP 21 2HB ASP 21 0.179 -8.636 7.753
158 2HB ASP 21 1HB ASP 21 -0.408 -8.207 6.145
159 H GLU 22 H GLU 22 -0.328 -8.680 4.284
160 HA GLU 22 HA GLU 22 -1.721 -10.721 2.875
161 1HB GLU 22 2HB GLU 22 -0.551 -8.046 2.103
162 2HB GLU 22 1HB GLU 22 -1.395 -9.039 0.918
163 1HG GLU 22 2HG GLU 22 -2.870 -7.357 2.067
164 2HG GLU 22 1HG GLU 22 -3.416 -9.026 2.236
165 H GLU 23 H GLU 23 1.657 -9.843 2.863
166 HA GLU 23 HA GLU 23 2.354 -11.383 0.489
167 1HB GLU 23 2HB GLU 23 3.625 -9.462 1.693
168 2HB GLU 23 1HB GLU 23 4.163 -10.709 2.817
169 1HG GLU 23 2HG GLU 23 4.537 -11.768 0.219
170 2HG GLU 23 1HG GLU 23 5.158 -10.117 0.179
171 H ASN 24 H ASN 24 2.959 -11.970 3.993
172 HA ASN 24 HA ASN 24 3.712 -14.697 3.740
173 1HB ASN 24 2HB ASN 24 2.248 -13.114 5.876
174 2HB ASN 24 1HB ASN 24 2.728 -14.790 6.121
175 1HD2 ASN 24 2HD2 ASN 24 6.100 -12.713 5.289
176 2HD2 ASN 24 1HD2 ASN 24 4.908 -12.979 4.111
177 H LYS 25 H LYS 25 0.498 -13.244 4.371
178 HA LYS 25 HA LYS 25 -1.076 -15.575 4.243
179 1HB LYS 25 2HB LYS 25 -1.650 -13.078 4.692
180 2HB LYS 25 1HB LYS 25 -1.843 -12.966 2.942
181 1HG LYS 25 2HG LYS 25 -3.400 -14.998 3.145
182 2HG LYS 25 1HG LYS 25 -3.399 -14.682 4.882
183 1HD LYS 25 2HD LYS 25 -4.304 -12.468 4.550
184 2HD LYS 25 1HD LYS 25 -4.115 -12.600 2.801
185 1HE LYS 25 2HE LYS 25 -5.822 -14.296 2.657
186 2HE LYS 25 1HE LYS 25 -5.879 -14.465 4.423
187 1HZ LYS 25 1HZ LYS 25 -6.490 -12.104 4.560
188 2HZ LYS 25 3HZ LYS 25 -6.543 -12.022 2.867
189 3HZ LYS 25 2HZ LYS 25 -7.644 -13.009 3.702
190 H ILE 26 H ILE 26 -0.051 -13.441 1.618
191 HA ILE 26 HA ILE 26 -1.177 -14.825 -0.569
192 HB ILE 26 HB ILE 26 1.007 -12.905 -0.052
193 1HG1 ILE 26 2HG1 ILE 26 -1.101 -12.070 -0.823
194 2HG1 ILE 26 1HG1 ILE 26 0.017 -11.912 -2.178
195 1HG2 ILE 26 2HG2 ILE 26 1.142 -14.737 -2.448
196 2HG2 ILE 26 1HG2 ILE 26 1.876 -13.133 -2.437
197 3HG2 ILE 26 3HG2 ILE 26 2.421 -14.360 -1.294
198 1HD1 ILE 26 2HD1 ILE 26 -0.890 -14.377 -2.706
199 2HD1 ILE 26 1HD1 ILE 26 -2.298 -13.758 -1.845
200 3HD1 ILE 26 3HD1 ILE 26 -1.716 -12.933 -3.291
201 H GLY 27 H GLY 27 1.405 -15.721 1.516
202 1HA GLY 27 2HA GLY 27 2.026 -18.128 1.557
203 2HA GLY 27 1HA GLY 27 1.937 -18.109 -0.206
204 H GLN 28 H GLN 28 3.323 -15.375 1.403
205 HA GLN 28 HA GLN 28 6.053 -16.287 0.556
206 1HB GLN 28 2HB GLN 28 4.634 -14.337 -0.600
207 2HB GLN 28 1HB GLN 28 5.285 -13.400 0.745
208 1HG GLN 28 2HG GLN 28 7.078 -13.120 -0.634
209 2HG GLN 28 1HG GLN 28 7.519 -14.733 -0.074
210 1HE2 GLN 28 2HE2 GLN 28 6.997 -16.235 -3.223
211 2HE2 GLN 28 1HE2 GLN 28 7.509 -16.426 -1.615
212 H TYR 29 H TYR 29 5.715 -17.086 2.981
213 HA TYR 29 HA TYR 29 6.133 -14.959 4.986
214 1HB TYR 29 2HB TYR 29 4.642 -16.797 5.506
215 2HB TYR 29 1HB TYR 29 5.880 -17.978 5.077
216 HD1 TYR 29 HD2 TYR 29 6.471 -14.822 6.936
217 HD2 TYR 29 HD1 TYR 29 6.101 -19.094 7.192
218 HE1 TYR 29 HE2 TYR 29 7.338 -14.758 9.260
219 HE2 TYR 29 HE1 TYR 29 6.967 -19.030 9.515
220 HH TYR 29 HH TYR 29 7.887 -15.940 11.049
221 H GLY 30 H GLY 30 8.142 -15.757 2.813
222 1HA GLY 30 2HA GLY 30 10.354 -17.165 3.598
223 2HA GLY 30 1HA GLY 30 10.510 -15.607 2.785
224 H ARG 31 H ARG 31 9.914 -13.713 4.519
225 HA ARG 31 HA ARG 31 10.803 -14.230 7.241
226 1HB ARG 31 2HB ARG 31 12.685 -13.406 5.084
227 2HB ARG 31 1HB ARG 31 12.872 -12.603 6.642
228 1HG ARG 31 2HG ARG 31 12.620 -15.134 7.513
229 2HG ARG 31 1HG ARG 31 13.305 -15.460 5.919
230 1HD ARG 31 2HD ARG 31 14.755 -13.270 7.073
231 2HD ARG 31 1HD ARG 31 14.697 -14.595 8.253
232 HE ARG 31 HE ARG 31 16.009 -15.889 6.773
233 1HH1 ARG 31 2HH1 ARG 31 14.599 -16.246 4.395
234 2HH1 ARG 31 1HH1 ARG 31 15.354 -15.216 3.225
235 1HH2 ARG 31 1HH2 ARG 31 16.958 -13.256 5.594
236 2HH2 ARG 31 2HH2 ARG 31 16.690 -13.524 3.903
237 H LEU 32 H LEU 32 11.892 -11.291 5.732
238 HA LEU 32 HA LEU 32 9.597 -9.847 7.010
239 1HB LEU 32 2HB LEU 32 12.334 -8.778 6.276
240 2HB LEU 32 1HB LEU 32 11.171 -8.082 7.406
241 HG LEU 32 HG LEU 32 11.483 -10.558 8.488
242 1HD1 LEU 32 2HD1 LEU 32 13.423 -10.598 6.578
243 2HD1 LEU 32 1HD1 LEU 32 14.324 -9.924 7.936
244 3HD1 LEU 32 3HD1 LEU 32 13.530 -11.491 8.095
245 1HD2 LEU 32 1HD2 LEU 32 12.855 -7.922 8.917
246 2HD2 LEU 32 3HD2 LEU 32 11.675 -8.742 9.937
247 3HD2 LEU 32 2HD2 LEU 32 13.345 -9.309 9.889
248 H THR 33 H THR 33 9.582 -7.477 5.839
249 HA THR 33 HA THR 33 9.876 -7.695 2.910
250 HB THR 33 HB THR 33 7.176 -6.859 3.584
251 HG1 THR 33 HG1 THR 33 6.814 -9.311 4.055
252 1HG2 THR 33 1HG2 THR 33 8.587 -8.735 1.769
253 2HG2 THR 33 3HG2 THR 33 6.903 -9.114 2.125
254 3HG2 THR 33 2HG2 THR 33 7.324 -7.559 1.410
255 H PHE 34 H PHE 34 11.222 -5.958 4.575
256 HA PHE 34 HA PHE 34 10.591 -3.376 3.501
257 1HB PHE 34 2HB PHE 34 9.709 -2.345 5.590
258 2HB PHE 34 1HB PHE 34 8.643 -3.612 4.986
259 HD1 PHE 34 HD2 PHE 34 8.649 -5.871 6.052
260 HD2 PHE 34 HD1 PHE 34 10.871 -2.575 7.679
261 HE1 PHE 34 HE2 PHE 34 8.868 -7.082 8.205
262 HE2 PHE 34 HE1 PHE 34 11.089 -3.786 9.833
263 HZ PHE 34 HZ PHE 34 10.087 -6.040 10.095
264 H ASN 35 H ASN 35 13.002 -4.606 3.612
265 HA ASN 35 HA ASN 35 14.491 -3.825 6.028
266 1HB ASN 35 2HB ASN 35 15.026 -5.901 4.918
267 2HB ASN 35 1HB ASN 35 15.202 -5.084 3.365
268 1HD2 ASN 35 2HD2 ASN 35 18.197 -4.690 6.158
269 2HD2 ASN 35 1HD2 ASN 35 16.635 -5.112 6.672
270 H LYS 36 H LYS 36 14.720 -2.999 2.529
271 HA LYS 36 HA LYS 36 16.563 -0.827 2.975
272 1HB LYS 36 2HB LYS 36 14.886 -1.906 0.746
273 2HB LYS 36 1HB LYS 36 15.608 -0.308 0.548
274 1HG LYS 36 2HG LYS 36 17.507 -2.207 1.669
275 2HG LYS 36 1HG LYS 36 16.881 -2.758 0.116
276 1HD LYS 36 2HD LYS 36 18.614 -1.412 -0.619
277 2HD LYS 36 1HD LYS 36 17.316 -0.219 -0.560
278 1HE LYS 36 2HE LYS 36 18.616 -0.520 2.041
279 2HE LYS 36 1HE LYS 36 19.756 -0.018 0.778
280 1HZ LYS 36 1HZ LYS 36 17.079 1.201 1.191
281 2HZ LYS 36 3HZ LYS 36 18.522 1.866 1.783
282 3HZ LYS 36 2HZ LYS 36 18.279 1.722 0.109
283 H VAL 37 H VAL 37 13.933 0.295 1.042
284 HA VAL 37 HA VAL 37 12.579 1.719 3.245
285 HB VAL 37 HB VAL 37 14.678 2.886 1.444
286 1HG1 VAL 37 3HG1 VAL 37 12.632 4.223 1.015
287 2HG1 VAL 37 2HG1 VAL 37 12.447 4.477 2.751
288 3HG1 VAL 37 1HG1 VAL 37 13.839 5.150 1.905
289 1HG2 VAL 37 1HG2 VAL 37 13.990 2.833 4.361
290 2HG2 VAL 37 3HG2 VAL 37 15.535 2.514 3.570
291 3HG2 VAL 37 2HG2 VAL 37 14.953 4.172 3.735
292 H ILE 38 H ILE 38 11.005 3.400 2.287
293 HA ILE 38 HA ILE 38 9.950 2.461 -0.358
294 HB ILE 38 HB ILE 38 7.718 2.867 0.587
295 1HG1 ILE 38 2HG1 ILE 38 8.231 3.219 3.329
296 2HG1 ILE 38 1HG1 ILE 38 9.250 4.398 2.503
297 1HG2 ILE 38 3HG2 ILE 38 9.388 0.811 1.296
298 2HG2 ILE 38 2HG2 ILE 38 8.882 1.417 2.874
299 3HG2 ILE 38 1HG2 ILE 38 7.673 0.888 1.703
300 1HD1 ILE 38 1HD1 ILE 38 6.283 4.014 2.000
301 2HD1 ILE 38 3HD1 ILE 38 6.978 5.293 2.994
302 3HD1 ILE 38 2HD1 ILE 38 7.311 5.243 1.264
303 H ARG 39 H ARG 39 10.841 4.154 -1.632
304 HA ARG 39 HA ARG 39 10.347 6.949 -0.744
305 1HB ARG 39 2HB ARG 39 12.366 5.560 -2.176
306 2HB ARG 39 1HB ARG 39 11.625 6.686 -3.313
307 1HG ARG 39 2HG ARG 39 11.939 8.013 -0.792
308 2HG ARG 39 1HG ARG 39 13.479 7.275 -1.235
309 1HD ARG 39 2HD ARG 39 12.170 8.551 -3.526
310 2HD ARG 39 1HD ARG 39 12.535 9.695 -2.218
311 HE ARG 39 HE ARG 39 14.884 8.819 -2.265
312 1HH1 ARG 39 2HH1 ARG 39 15.583 6.694 -3.618
313 2HH1 ARG 39 1HH1 ARG 39 15.618 7.054 -5.312
314 1HH2 ARG 39 1HH2 ARG 39 13.707 9.932 -5.012
315 2HH2 ARG 39 2HH2 ARG 39 14.556 8.886 -6.101
316 HA PRO 40 HA PRO 40 7.868 6.844 -4.728
317 1HB PRO 40 2HB PRO 40 8.021 4.697 -6.419
318 2HB PRO 40 1HB PRO 40 9.171 6.045 -6.455
319 1HG PRO 40 2HG PRO 40 9.557 3.305 -5.532
320 2HG PRO 40 1HG PRO 40 10.751 4.519 -5.984
321 1HD PRO 40 2HD PRO 40 9.947 3.727 -3.346
322 2HD PRO 40 1HD PRO 40 11.164 4.929 -3.817
323 H CYS 41 H CYS 41 6.864 5.905 -2.383
324 HA CYS 41 HA CYS 41 5.227 3.485 -2.883
325 1HB CYS 41 2HB CYS 41 6.213 3.684 -0.713
326 2HB CYS 41 1HB CYS 41 5.715 5.370 -0.564
327 HG CYS 41 HG CYS 41 3.937 4.077 0.767
328 H MET 42 H MET 42 3.745 4.237 -4.507
329 HA MET 42 HA MET 42 2.129 6.659 -3.968
330 1HB MET 42 2HB MET 42 2.923 4.982 -6.206
331 2HB MET 42 1HB MET 42 1.182 5.266 -6.222
332 1HG MET 42 2HG MET 42 1.743 7.220 -7.245
333 2HG MET 42 1HG MET 42 2.114 7.761 -5.609
334 1HE MET 42 2HE MET 42 3.062 5.863 -8.499
335 2HE MET 42 1HE MET 42 4.434 6.748 -9.162
336 3HE MET 42 3HE MET 42 4.701 5.324 -8.144
337 H LYS 43 H LYS 43 0.182 6.523 -2.911
338 HA LYS 43 HA LYS 43 -1.189 3.854 -2.838
339 1HB LYS 43 2HB LYS 43 -0.260 4.312 -0.685
340 2HB LYS 43 1HB LYS 43 -0.763 6.001 -0.751
341 1HG LYS 43 2HG LYS 43 -2.905 3.943 -0.992
342 2HG LYS 43 1HG LYS 43 -2.169 4.154 0.597
343 1HD LYS 43 2HD LYS 43 -2.534 6.706 0.142
344 2HD LYS 43 1HD LYS 43 -3.708 6.145 -1.051
345 1HE LYS 43 2HE LYS 43 -4.878 6.498 1.062
346 2HE LYS 43 1HE LYS 43 -4.769 4.748 0.785
347 1HZ LYS 43 1HZ LYS 43 -2.628 6.196 2.214
348 2HZ LYS 43 3HZ LYS 43 -4.002 5.654 3.047
349 3HZ LYS 43 2HZ LYS 43 -2.998 4.539 2.251
350 H LYS 44 H LYS 44 -3.546 3.958 -2.771
351 HA LYS 44 HA LYS 44 -4.904 6.533 -3.048
352 1HB LYS 44 2HB LYS 44 -5.681 5.849 -5.424
353 2HB LYS 44 1HB LYS 44 -4.033 6.456 -5.260
354 1HG LYS 44 2HG LYS 44 -3.082 4.356 -5.541
355 2HG LYS 44 1HG LYS 44 -4.529 3.513 -4.987
356 1HD LYS 44 2HD LYS 44 -4.505 3.154 -7.329
357 2HD LYS 44 1HD LYS 44 -5.668 4.459 -7.099
358 1HE LYS 44 2HE LYS 44 -4.408 5.494 -8.723
359 2HE LYS 44 1HE LYS 44 -3.346 5.888 -7.357
360 1HZ LYS 44 3HZ LYS 44 -2.510 3.458 -7.804
361 2HZ LYS 44 2HZ LYS 44 -3.073 3.777 -9.374
362 3HZ LYS 44 1HZ LYS 44 -1.879 4.766 -8.680
363 H THR 45 H THR 45 -7.301 6.085 -3.685
364 HA THR 45 HA THR 45 -8.287 3.366 -3.117
365 HB THR 45 HB THR 45 -8.595 5.738 -1.249
366 HG1 THR 45 HG1 THR 45 -7.751 3.061 -0.852
367 1HG2 THR 45 2HG2 THR 45 -10.746 4.322 -1.790
368 2HG2 THR 45 1HG2 THR 45 -9.967 3.101 -0.795
369 3HG2 THR 45 3HG2 THR 45 -10.347 4.680 -0.117
370 H ILE 46 H ILE 46 -10.626 3.245 -3.506
371 HA ILE 46 HA ILE 46 -11.686 5.588 -5.049
372 HB ILE 46 HB ILE 46 -12.795 3.900 -6.429
373 1HG1 ILE 46 2HG1 ILE 46 -11.377 1.688 -4.995
374 2HG1 ILE 46 1HG1 ILE 46 -12.843 2.328 -4.257
375 1HG2 ILE 46 1HG2 ILE 46 -10.400 4.528 -6.860
376 2HG2 ILE 46 3HG2 ILE 46 -9.913 3.103 -5.943
377 3HG2 ILE 46 2HG2 ILE 46 -10.822 2.918 -7.442
378 1HD1 ILE 46 2HD1 ILE 46 -13.293 1.990 -7.071
379 2HD1 ILE 46 1HD1 ILE 46 -12.654 0.487 -6.406
380 3HD1 ILE 46 3HD1 ILE 46 -14.113 1.202 -5.723
381 H TYR 47 H TYR 47 -11.990 5.517 -2.349
382 HA TYR 47 HA TYR 47 -14.773 4.529 -1.922
383 1HB TYR 47 2HB TYR 47 -14.134 3.910 0.224
384 2HB TYR 47 1HB TYR 47 -12.614 3.696 -0.632
385 HD1 TYR 47 HD1 TYR 47 -11.918 6.669 -0.955
386 HD2 TYR 47 HD2 TYR 47 -13.306 4.389 2.405
387 HE1 TYR 47 HE1 TYR 47 -10.832 8.276 0.584
388 HE2 TYR 47 HE2 TYR 47 -12.227 6.001 3.945
389 HH TYR 47 HH TYR 47 -11.306 8.982 3.136
390 H GLU 48 H GLU 48 -16.084 5.879 -0.392
391 HA GLU 48 HA GLU 48 -15.747 8.747 -1.035
392 1HB GLU 48 2HB GLU 48 -17.873 7.236 -1.159
393 2HB GLU 48 1HB GLU 48 -17.952 7.478 0.585
394 1HG GLU 48 2HG GLU 48 -18.972 9.447 0.200
395 2HG GLU 48 1HG GLU 48 -17.467 10.028 -0.511
396 H ASN 49 H ASN 49 -17.437 8.832 1.746
397 HA ASN 49 HA ASN 49 -15.645 8.378 3.881
398 1HB ASN 49 2HB ASN 49 -14.850 10.456 2.068
399 2HB ASN 49 1HB ASN 49 -15.239 11.190 3.624
400 1HD2 ASN 49 2HD2 ASN 49 -12.796 8.751 5.186
401 2HD2 ASN 49 1HD2 ASN 49 -14.485 8.895 5.271
402 H GLU 50 H GLU 50 -18.162 10.375 2.465
403 HA GLU 50 HA GLU 50 -19.297 10.782 5.214
404 1HB GLU 50 2HB GLU 50 -19.556 12.691 2.879
405 2HB GLU 50 1HB GLU 50 -19.877 13.014 4.583
406 1HG GLU 50 2HG GLU 50 -17.773 13.949 4.424
407 2HG GLU 50 1HG GLU 50 -17.315 12.291 4.815
408 H ARG 51 H ARG 51 -19.720 9.367 2.207
409 HA ARG 51 HA ARG 51 -22.700 9.331 2.564
410 1HB ARG 51 2HB ARG 51 -21.679 10.729 0.649
411 2HB ARG 51 1HB ARG 51 -21.240 9.184 -0.080
412 1HG ARG 51 2HG ARG 51 -23.444 10.068 -0.887
413 2HG ARG 51 1HG ARG 51 -23.565 8.482 -0.125
414 1HD ARG 51 2HD ARG 51 -23.858 10.779 1.730
415 2HD ARG 51 1HD ARG 51 -25.171 10.576 0.552
416 HE ARG 51 HE ARG 51 -24.631 7.998 1.490
417 1HH1 ARG 51 2HH1 ARG 51 -24.682 10.764 3.420
418 2HH1 ARG 51 1HH1 ARG 51 -25.945 10.213 4.470
419 1HH2 ARG 51 1HH2 ARG 51 -26.645 7.390 2.583
420 2HH2 ARG 51 2HH2 ARG 51 -27.056 8.303 3.996
421 H GLU 52 H GLU 52 -19.767 7.593 1.616
422 HA GLU 52 HA GLU 52 -20.938 5.032 2.359
423 1HB GLU 52 2HB GLU 52 -20.952 4.112 0.057
424 2HB GLU 52 1HB GLU 52 -22.059 5.478 0.209
425 1HG GLU 52 2HG GLU 52 -20.298 6.978 -0.702
426 2HG GLU 52 1HG GLU 52 -19.247 5.578 -0.922
427 H ILE 53 H ILE 53 -19.341 3.319 0.924
428 HA ILE 53 HA ILE 53 -16.547 4.284 1.008
429 HB ILE 53 HB ILE 53 -17.519 3.566 3.330
430 1HG1 ILE 53 2HG1 ILE 53 -14.978 2.172 2.526
431 2HG1 ILE 53 1HG1 ILE 53 -15.078 3.930 2.539
432 1HG2 ILE 53 1HG2 ILE 53 -18.467 1.418 2.396
433 2HG2 ILE 53 3HG2 ILE 53 -16.810 0.845 2.218
434 3HG2 ILE 53 2HG2 ILE 53 -17.445 1.216 3.819
435 1HD1 ILE 53 3HD1 ILE 53 -15.828 2.204 4.909
436 2HD1 ILE 53 2HD1 ILE 53 -14.233 2.923 4.696
437 3HD1 ILE 53 1HD1 ILE 53 -15.648 3.958 4.879
438 H LYS 54 H LYS 54 -16.027 3.595 -1.048
439 HA LYS 54 HA LYS 54 -17.100 1.110 -2.155
440 1HB LYS 54 2HB LYS 54 -15.889 3.543 -3.047
441 2HB LYS 54 1HB LYS 54 -15.017 2.179 -3.747
442 1HG LYS 54 2HG LYS 54 -16.856 1.414 -4.912
443 2HG LYS 54 1HG LYS 54 -18.001 2.071 -3.743
444 1HD LYS 54 2HD LYS 54 -16.389 4.127 -5.088
445 2HD LYS 54 1HD LYS 54 -17.417 3.208 -6.187
446 1HE LYS 54 2HE LYS 54 -19.386 3.698 -4.783
447 2HE LYS 54 1HE LYS 54 -18.360 4.609 -3.658
448 1HZ LYS 54 2HZ LYS 54 -18.132 5.248 -6.497
449 2HZ LYS 54 1HZ LYS 54 -19.544 5.769 -5.709
450 3HZ LYS 54 3HZ LYS 54 -18.025 6.271 -5.145
451 H GLY 55 H GLY 55 -13.600 2.096 -2.267
452 1HA GLY 55 2HA GLY 55 -12.789 -0.220 -0.722
453 2HA GLY 55 1HA GLY 55 -12.704 -0.571 -2.444
454 H TYR 56 H TYR 56 -10.396 -0.733 -1.157
455 HA TYR 56 HA TYR 56 -8.961 1.842 -1.691
456 1HB TYR 56 2HB TYR 56 -8.679 -0.398 0.295
457 2HB TYR 56 1HB TYR 56 -7.264 0.570 -0.122
458 HD1 TYR 56 HD1 TYR 56 -10.895 1.113 0.684
459 HD2 TYR 56 HD2 TYR 56 -6.839 2.426 1.208
460 HE1 TYR 56 HE1 TYR 56 -11.673 2.906 2.210
461 HE2 TYR 56 HE2 TYR 56 -7.617 4.220 2.734
462 HH TYR 56 HH TYR 56 -9.395 5.282 3.560
463 H GLU 57 H GLU 57 -6.506 1.215 -2.085
464 HA GLU 57 HA GLU 57 -5.684 -1.167 -3.356
465 1HB GLU 57 2HB GLU 57 -5.937 -0.306 -5.771
466 2HB GLU 57 1HB GLU 57 -7.424 -0.832 -4.983
467 1HG GLU 57 2HG GLU 57 -7.811 1.569 -4.301
468 2HG GLU 57 1HG GLU 57 -6.442 2.013 -5.323
469 H TYR 58 H TYR 58 -3.417 -0.893 -3.722
470 HA TYR 58 HA TYR 58 -2.484 1.898 -4.205
471 1HB TYR 58 2HB TYR 58 -1.652 2.231 -2.124
472 2HB TYR 58 1HB TYR 58 -2.822 1.003 -1.674
473 HD1 TYR 58 HD1 TYR 58 -1.410 -1.453 -2.822
474 HD2 TYR 58 HD2 TYR 58 0.082 1.880 -0.562
475 HE1 TYR 58 HE1 TYR 58 0.387 -2.875 -1.899
476 HE2 TYR 58 HE2 TYR 58 1.874 0.454 0.356
477 HH TYR 58 HH TYR 58 2.344 -1.891 0.734
478 H GLN 59 H GLN 59 -0.097 2.040 -4.306
479 HA GLN 59 HA GLN 59 1.197 -0.413 -5.428
480 1HB GLN 59 2HB GLN 59 0.998 2.428 -6.463
481 2HB GLN 59 1HB GLN 59 2.300 1.359 -6.986
482 1HG GLN 59 2HG GLN 59 0.921 0.336 -8.436
483 2HG GLN 59 1HG GLN 59 -0.192 -0.065 -7.128
484 1HE2 GLN 59 2HE2 GLN 59 -1.705 2.344 -9.719
485 2HE2 GLN 59 1HE2 GLN 59 -0.741 0.967 -9.952
486 H LEU 60 H LEU 60 3.060 -0.794 -4.241
487 HA LEU 60 HA LEU 60 4.241 1.520 -2.748
488 1HB LEU 60 2HB LEU 60 3.164 -0.153 -1.341
489 2HB LEU 60 1HB LEU 60 4.068 -1.444 -2.116
490 HG LEU 60 HG LEU 60 6.183 -0.207 -1.328
491 1HD1 LEU 60 2HD1 LEU 60 4.009 1.277 0.144
492 2HD1 LEU 60 1HD1 LEU 60 5.620 1.117 0.840
493 3HD1 LEU 60 3HD1 LEU 60 5.406 1.932 -0.709
494 1HD2 LEU 60 2HD2 LEU 60 4.924 -2.260 -0.255
495 2HD2 LEU 60 1HD2 LEU 60 6.202 -1.454 0.652
496 3HD2 LEU 60 3HD2 LEU 60 4.512 -1.102 1.007
497 H TYR 61 H TYR 61 5.408 1.738 -4.940
498 HA TYR 61 HA TYR 61 7.355 -0.251 -5.702
499 1HB TYR 61 2HB TYR 61 6.573 1.287 -7.315
500 2HB TYR 61 1HB TYR 61 6.818 2.662 -6.242
501 HD1 TYR 61 HD2 TYR 61 9.383 0.069 -6.338
502 HD2 TYR 61 HD1 TYR 61 8.122 3.798 -8.055
503 HE1 TYR 61 HE2 TYR 61 11.651 0.400 -7.284
504 HE2 TYR 61 HE1 TYR 61 10.390 4.130 -9.001
505 HH TYR 61 HH TYR 61 12.987 1.755 -8.417
506 H VAL 62 H VAL 62 8.862 -0.807 -4.149
507 HA VAL 62 HA VAL 62 10.658 1.301 -3.088
508 HB VAL 62 HB VAL 62 10.115 0.727 -0.780
509 1HG1 VAL 62 3HG1 VAL 62 8.639 2.395 -1.965
510 2HG1 VAL 62 2HG1 VAL 62 7.504 1.080 -2.277
511 3HG1 VAL 62 1HG1 VAL 62 7.853 1.565 -0.625
512 1HG2 VAL 62 1HG2 VAL 62 8.315 -1.326 -2.079
513 2HG2 VAL 62 3HG2 VAL 62 9.661 -1.615 -0.976
514 3HG2 VAL 62 2HG2 VAL 62 8.179 -0.867 -0.381
515 H TYR 63 H TYR 63 11.791 -0.250 -1.089
516 HA TYR 63 HA TYR 63 12.499 -2.837 -2.382
517 1HB TYR 63 2HB TYR 63 14.078 -1.012 -3.090
518 2HB TYR 63 1HB TYR 63 14.510 -0.791 -1.395
519 HD1 TYR 63 HD2 TYR 63 13.678 -4.178 -2.490
520 HD2 TYR 63 HD1 TYR 63 16.872 -1.346 -2.007
521 HE1 TYR 63 HE2 TYR 63 15.329 -6.013 -2.658
522 HE2 TYR 63 HE1 TYR 63 18.524 -3.186 -2.182
523 HH TYR 63 HH TYR 63 18.446 -5.776 -1.704
524 H ALA 64 H ALA 64 12.862 -4.444 -0.857
525 HA ALA 64 HA ALA 64 13.063 -3.621 2.013
526 1HB ALA 64 2HB ALA 64 11.215 -5.559 0.615
527 2HB ALA 64 1HB ALA 64 11.486 -5.625 2.356
528 3HB ALA 64 3HB ALA 64 10.780 -4.182 1.626
529 H SER 65 H SER 65 12.634 -6.928 1.649
530 HA SER 65 HA SER 65 15.586 -7.400 1.789
531 1HB SER 65 2HB SER 65 13.368 -8.159 3.379
532 2HB SER 65 1HB SER 65 13.891 -9.624 2.552
533 HG SER 65 HG SER 65 16.086 -8.889 3.243
534 H ASP 66 H ASP 66 12.586 -8.283 0.186
535 HA ASP 66 HA ASP 66 14.150 -9.656 -1.950
536 1HB ASP 66 2HB ASP 66 12.001 -10.752 -0.157
537 2HB ASP 66 1HB ASP 66 12.113 -11.348 -1.814
538 H LYS 67 H LYS 67 12.261 -7.176 -1.284
539 HA LYS 67 HA LYS 67 10.405 -7.505 -3.620
540 1HB LYS 67 2HB LYS 67 9.156 -7.064 -1.696
541 2HB LYS 67 1HB LYS 67 10.388 -6.000 -1.022
542 1HG LYS 67 2HG LYS 67 9.451 -4.948 -3.550
543 2HG LYS 67 1HG LYS 67 8.089 -5.237 -2.470
544 1HD LYS 67 2HD LYS 67 10.538 -3.919 -1.360
545 2HD LYS 67 1HD LYS 67 9.428 -2.959 -2.340
546 1HE LYS 67 2HE LYS 67 8.559 -4.633 0.042
547 2HE LYS 67 1HE LYS 67 8.860 -2.886 0.108
548 1HZ LYS 67 2HZ LYS 67 7.283 -3.542 -2.159
549 2HZ LYS 67 1HZ LYS 67 6.544 -4.135 -0.749
550 3HZ LYS 67 3HZ LYS 67 6.923 -2.488 -0.877
551 H LEU 68 H LEU 68 12.067 -6.912 -5.144
552 HA LEU 68 HA LEU 68 13.284 -4.210 -4.942
553 1HB LEU 68 2HB LEU 68 13.508 -6.516 -6.904
554 2HB LEU 68 1HB LEU 68 14.449 -5.027 -7.016
555 HG LEU 68 HG LEU 68 14.558 -6.168 -4.340
556 1HD1 LEU 68 3HD1 LEU 68 14.290 -8.209 -5.942
557 2HD1 LEU 68 2HD1 LEU 68 15.932 -7.816 -6.450
558 3HD1 LEU 68 1HD1 LEU 68 15.603 -8.225 -4.766
559 1HD2 LEU 68 3HD2 LEU 68 16.389 -5.121 -6.458
560 2HD2 LEU 68 2HD2 LEU 68 16.234 -4.634 -4.771
561 3HD2 LEU 68 1HD2 LEU 68 17.092 -6.118 -5.185
562 H PHE 69 H PHE 69 10.731 -3.587 -5.125
563 HA PHE 69 HA PHE 69 10.360 -2.187 -7.525
564 1HB PHE 69 2HB PHE 69 8.603 -3.846 -8.533
565 2HB PHE 69 1HB PHE 69 10.305 -4.112 -8.821
566 HD1 PHE 69 HD2 PHE 69 8.438 -4.759 -5.647
567 HD2 PHE 69 HD1 PHE 69 10.441 -6.461 -9.047
568 HE1 PHE 69 HE2 PHE 69 8.303 -6.999 -4.604
569 HE2 PHE 69 HE1 PHE 69 10.308 -8.704 -7.998
570 HZ PHE 69 HZ PHE 69 9.238 -8.973 -5.777
571 H ARG 70 H ARG 70 7.382 -3.708 -7.279
572 HA ARG 70 HA ARG 70 6.546 -1.789 -5.133
573 1HB ARG 70 2HB ARG 70 5.943 -1.139 -7.438
574 2HB ARG 70 1HB ARG 70 5.104 -2.677 -7.638
575 1HG ARG 70 2HG ARG 70 3.633 -2.056 -5.668
576 2HG ARG 70 1HG ARG 70 4.382 -0.457 -5.681
577 1HD ARG 70 2HD ARG 70 2.164 -0.729 -6.993
578 2HD ARG 70 1HD ARG 70 3.508 0.044 -7.855
579 HE ARG 70 HE ARG 70 3.728 -1.911 -9.191
580 1HH1 ARG 70 2HH1 ARG 70 3.829 -4.004 -7.139
581 2HH1 ARG 70 1HH1 ARG 70 2.335 -4.853 -7.360
582 1HH2 ARG 70 1HH2 ARG 70 0.857 -2.313 -9.200
583 2HH2 ARG 70 2HH2 ARG 70 0.653 -3.896 -8.526
584 H ALA 71 H ALA 71 5.007 -2.426 -3.703
585 HA ALA 71 HA ALA 71 4.156 -5.294 -3.763
586 1HB ALA 71 3HB ALA 71 5.120 -3.399 -1.722
587 2HB ALA 71 2HB ALA 71 3.649 -4.244 -1.239
588 3HB ALA 71 1HB ALA 71 5.091 -5.161 -1.674
589 H ASP 72 H ASP 72 2.135 -5.197 -4.796
590 HA ASP 72 HA ASP 72 0.431 -2.829 -4.484
591 1HB ASP 72 2HB ASP 72 0.645 -4.000 -6.617
592 2HB ASP 72 1HB ASP 72 0.097 -5.504 -5.876
593 H ILE 73 H ILE 73 -1.811 -2.999 -3.722
594 HA ILE 73 HA ILE 73 -2.619 -5.343 -2.173
595 HB ILE 73 HB ILE 73 -0.929 -3.681 -0.885
596 1HG1 ILE 73 2HG1 ILE 73 -1.952 -5.824 -0.082
597 2HG1 ILE 73 1HG1 ILE 73 -1.797 -4.604 1.182
598 1HG2 ILE 73 1HG2 ILE 73 -2.664 -1.794 -1.199
599 2HG2 ILE 73 3HG2 ILE 73 -3.621 -2.645 0.010
600 3HG2 ILE 73 2HG2 ILE 73 -2.021 -2.031 0.422
601 1HD1 ILE 73 3HD1 ILE 73 -4.318 -5.118 -0.422
602 2HD1 ILE 73 2HD1 ILE 73 -4.026 -5.712 1.212
603 3HD1 ILE 73 1HD1 ILE 73 -4.145 -3.978 0.912
604 H SER 74 H SER 74 -4.764 -5.468 -2.642
605 HA SER 74 HA SER 74 -6.243 -2.918 -3.162
606 1HB SER 74 2HB SER 74 -5.908 -5.207 -4.656
607 2HB SER 74 1HB SER 74 -7.434 -5.548 -3.846
608 HG SER 74 HG SER 74 -6.929 -3.058 -5.084
609 H GLU 75 H GLU 75 -8.404 -2.710 -2.136
610 HA GLU 75 HA GLU 75 -9.130 -4.784 -0.140
611 1HB GLU 75 2HB GLU 75 -7.675 -2.353 0.429
612 2HB GLU 75 1HB GLU 75 -9.226 -2.337 1.269
613 1HG GLU 75 2HG GLU 75 -8.688 -4.714 2.029
614 2HG GLU 75 1HG GLU 75 -7.050 -4.431 1.437
615 H ASP 76 H ASP 76 -11.183 -5.089 -0.898
616 HA ASP 76 HA ASP 76 -12.968 -3.131 -1.949
617 1HB ASP 76 2HB ASP 76 -14.592 -4.956 -1.656
618 2HB ASP 76 1HB ASP 76 -13.055 -5.605 -2.229
619 H TYR 77 H TYR 77 -15.142 -2.648 -0.890
620 HA TYR 77 HA TYR 77 -15.100 -2.475 2.076
621 1HB TYR 77 2HB TYR 77 -14.216 -0.394 0.433
622 2HB TYR 77 1HB TYR 77 -15.872 0.057 0.833
623 HD1 TYR 77 HD1 TYR 77 -16.341 -0.856 3.493
624 HD2 TYR 77 HD2 TYR 77 -12.712 0.718 1.817
625 HE1 TYR 77 HE1 TYR 77 -15.595 -0.167 5.756
626 HE2 TYR 77 HE2 TYR 77 -11.966 1.407 4.080
627 HH TYR 77 HH TYR 77 -12.802 0.333 6.698
628 H LYS 78 H LYS 78 -16.990 -0.760 -0.422
629 HA LYS 78 HA LYS 78 -19.413 -2.283 0.492
630 1HB LYS 78 2HB LYS 78 -19.181 0.227 1.003
631 2HB LYS 78 1HB LYS 78 -19.334 0.487 -0.736
632 1HG LYS 78 2HG LYS 78 -21.486 -0.831 -0.661
633 2HG LYS 78 1HG LYS 78 -21.355 -0.829 1.099
634 1HD LYS 78 2HD LYS 78 -22.055 1.317 1.249
635 2HD LYS 78 1HD LYS 78 -20.991 1.835 -0.060
636 1HE LYS 78 2HE LYS 78 -23.537 0.279 -0.593
637 2HE LYS 78 1HE LYS 78 -23.503 2.053 -0.531
638 1HZ LYS 78 3HZ LYS 78 -21.381 1.638 -2.025
639 2HZ LYS 78 2HZ LYS 78 -22.245 0.237 -2.447
640 3HZ LYS 78 1HZ LYS 78 -22.931 1.771 -2.700
641 H THR 79 H THR 79 -17.621 -0.901 -2.225
642 HA THR 79 HA THR 79 -19.500 -2.014 -4.219
643 HB THR 79 HB THR 79 -16.936 -0.406 -4.260
644 HG1 THR 79 HG1 THR 79 -19.433 0.201 -5.409
645 1HG2 THR 79 2HG2 THR 79 -18.236 -1.959 -6.435
646 2HG2 THR 79 1HG2 THR 79 -17.734 -0.315 -6.833
647 3HG2 THR 79 3HG2 THR 79 -16.548 -1.482 -6.246
648 H ARG 80 H ARG 80 -17.479 -3.472 -2.240
649 HA ARG 80 HA ARG 80 -16.280 -5.482 -2.277
650 1HB ARG 80 2HB ARG 80 -17.920 -5.523 -4.806
651 2HB ARG 80 1HB ARG 80 -16.845 -6.863 -4.413
652 1HG ARG 80 2HG ARG 80 -18.889 -7.513 -3.444
653 2HG ARG 80 1HG ARG 80 -18.001 -6.820 -2.087
654 1HD ARG 80 2HD ARG 80 -20.351 -5.972 -2.191
655 2HD ARG 80 1HD ARG 80 -19.174 -4.662 -2.419
656 HE ARG 80 HE ARG 80 -19.803 -5.851 -4.957
657 1HH1 ARG 80 1HH2 ARG 80 -22.266 -5.086 -2.999
658 2HH1 ARG 80 2HH2 ARG 80 -22.786 -3.656 -3.825
659 1HH2 ARG 80 2HH1 ARG 80 -19.954 -3.451 -5.814
660 2HH2 ARG 80 1HH1 ARG 80 -21.478 -2.730 -5.418
661 H GLY 81 H GLY 81 -14.599 -3.436 -2.801
662 1HA GLY 81 2HA GLY 81 -13.254 -3.341 -5.281
663 2HA GLY 81 1HA GLY 81 -12.476 -3.030 -3.727
664 H ARG 82 H ARG 82 -11.102 -4.590 -2.894
665 HA ARG 82 HA ARG 82 -11.229 -7.361 -3.908
666 1HB ARG 82 2HB ARG 82 -9.275 -5.268 -4.708
667 2HB ARG 82 1HB ARG 82 -8.621 -6.875 -4.390
668 1HG ARG 82 2HG ARG 82 -10.938 -7.342 -5.892
669 2HG ARG 82 1HG ARG 82 -10.181 -5.948 -6.662
670 1HD ARG 82 2HD ARG 82 -8.476 -8.311 -5.904
671 2HD ARG 82 1HD ARG 82 -9.428 -8.354 -7.401
672 HE ARG 82 HE ARG 82 -7.344 -6.307 -6.772
673 1HH1 ARG 82 2HH1 ARG 82 -9.149 -4.985 -8.544
674 2HH1 ARG 82 1HH1 ARG 82 -8.686 -5.513 -10.126
675 1HH2 ARG 82 1HH2 ARG 82 -6.894 -8.251 -8.979
676 2HH2 ARG 82 2HH2 ARG 82 -7.409 -7.362 -10.373
677 H LYS 83 H LYS 83 -8.877 -8.326 -3.039
678 HA LYS 83 HA LYS 83 -8.109 -7.312 -0.397
679 1HB LYS 83 2HB LYS 83 -10.138 -9.435 -0.837
680 2HB LYS 83 1HB LYS 83 -8.892 -9.831 0.347
681 1HG LYS 83 2HG LYS 83 -9.450 -7.308 1.126
682 2HG LYS 83 1HG LYS 83 -11.020 -7.759 0.461
683 1HD LYS 83 2HD LYS 83 -10.828 -9.902 1.848
684 2HD LYS 83 1HD LYS 83 -9.481 -9.122 2.677
685 1HE LYS 83 2HE LYS 83 -12.364 -8.177 2.561
686 2HE LYS 83 1HE LYS 83 -11.425 -8.626 3.999
687 1HZ LYS 83 2HZ LYS 83 -9.791 -6.847 3.077
688 2HZ LYS 83 1HZ LYS 83 -11.170 -6.248 2.286
689 3HZ LYS 83 3HZ LYS 83 -11.145 -6.356 3.979
690 H LEU 84 H LEU 84 -6.075 -7.418 -1.687
691 HA LEU 84 HA LEU 84 -4.643 -9.922 -1.314
692 1HB LEU 84 2HB LEU 84 -6.209 -10.235 -3.316
693 2HB LEU 84 1HB LEU 84 -5.250 -9.011 -4.143
694 HG LEU 84 HG LEU 84 -3.296 -10.364 -4.112
695 1HD1 LEU 84 3HD1 LEU 84 -4.746 -11.763 -1.910
696 2HD1 LEU 84 2HD1 LEU 84 -3.657 -12.733 -2.902
697 3HD1 LEU 84 1HD1 LEU 84 -3.041 -11.328 -2.032
698 1HD2 LEU 84 2HD2 LEU 84 -5.574 -11.186 -5.390
699 2HD2 LEU 84 1HD2 LEU 84 -3.989 -11.928 -5.617
700 3HD2 LEU 84 3HD2 LEU 84 -5.142 -12.640 -4.489
701 H LEU 85 H LEU 85 -2.438 -9.666 -2.635
702 HA LEU 85 HA LEU 85 -1.674 -6.863 -3.108
703 1HB LEU 85 2HB LEU 85 -0.591 -6.553 -1.116
704 2HB LEU 85 1HB LEU 85 -1.562 -7.905 -0.555
705 HG LEU 85 HG LEU 85 1.173 -8.200 -1.821
706 1HD1 LEU 85 3HD1 LEU 85 0.620 -7.114 0.661
707 2HD1 LEU 85 2HD1 LEU 85 0.847 -8.822 1.031
708 3HD1 LEU 85 1HD1 LEU 85 2.125 -7.921 0.220
709 1HD2 LEU 85 2HD2 LEU 85 -0.555 -10.101 -1.892
710 2HD2 LEU 85 1HD2 LEU 85 1.001 -10.490 -1.165
711 3HD2 LEU 85 3HD2 LEU 85 -0.395 -10.167 -0.141
712 H ARG 86 H ARG 86 0.724 -6.819 -3.857
713 HA ARG 86 HA ARG 86 1.562 -9.469 -4.973
714 1HB ARG 86 2HB ARG 86 1.496 -6.890 -6.554
715 2HB ARG 86 1HB ARG 86 1.705 -8.530 -7.169
716 1HG ARG 86 2HG ARG 86 -0.613 -9.038 -6.242
717 2HG ARG 86 1HG ARG 86 -0.796 -7.301 -5.993
718 1HD ARG 86 2HD ARG 86 -0.941 -6.856 -8.254
719 2HD ARG 86 1HD ARG 86 0.133 -8.199 -8.691
720 HE ARG 86 HE ARG 86 -2.726 -8.530 -7.874
721 1HH1 ARG 86 1HH2 ARG 86 -0.482 -9.071 -10.290
722 2HH1 ARG 86 2HH2 ARG 86 -0.878 -10.738 -10.539
723 1HH2 ARG 86 2HH1 ARG 86 -2.958 -10.931 -7.770
724 2HH2 ARG 86 1HH1 ARG 86 -2.279 -11.792 -9.111
725 H PHE 87 H PHE 87 3.767 -8.993 -6.241
726 HA PHE 87 HA PHE 87 5.509 -6.988 -4.928
727 1HB PHE 87 2HB PHE 87 6.190 -9.929 -4.752
728 2HB PHE 87 1HB PHE 87 6.901 -8.590 -3.854
729 HD1 PHE 87 HD2 PHE 87 5.560 -7.428 -2.078
730 HD2 PHE 87 HD1 PHE 87 4.206 -11.029 -3.993
731 HE1 PHE 87 HE2 PHE 87 3.934 -7.800 -0.240
732 HE2 PHE 87 HE1 PHE 87 2.581 -11.397 -2.150
733 HZ PHE 87 HZ PHE 87 2.456 -9.774 -0.282
734 H ASN 88 H ASN 88 5.613 -6.369 -7.316
735 HA ASN 88 HA ASN 88 7.841 -7.797 -8.587
736 1HB ASN 88 2HB ASN 88 6.166 -7.934 -10.704
737 2HB ASN 88 1HB ASN 88 6.445 -9.268 -9.590
738 1HD2 ASN 88 2HD2 ASN 88 3.036 -9.348 -8.714
739 2HD2 ASN 88 1HD2 ASN 88 4.480 -10.199 -8.982
740 H GLY 89 H GLY 89 7.577 -6.881 -11.177
741 1HA GLY 89 2HA GLY 89 7.675 -4.908 -12.501
742 2HA GLY 89 1HA GLY 89 7.045 -3.987 -11.120
743 HA PRO 90 HA PRO 90 11.492 -5.061 -9.752
744 1HB PRO 90 2HB PRO 90 13.080 -6.330 -11.605
745 2HB PRO 90 1HB PRO 90 12.107 -7.171 -10.379
746 1HG PRO 90 2HG PRO 90 11.442 -6.596 -13.241
747 2HG PRO 90 1HG PRO 90 11.252 -8.105 -12.327
748 1HD PRO 90 2HD PRO 90 9.159 -6.512 -12.741
749 2HD PRO 90 1HD PRO 90 9.381 -7.323 -11.171
750 H VAL 91 HN VAL 91 13.309 -3.678 -9.973
751 HA VAL 91 HA VAL 91 13.268 -1.902 -12.391
752 HB VAL 91 HB VAL 91 12.616 -0.679 -10.458
753 1HG1 VAL 91 3HG1 VAL 91 14.621 -2.443 -9.109
754 2HG1 VAL 91 2HG1 VAL 91 14.314 -0.852 -8.411
755 3HG1 VAL 91 1HG1 VAL 91 12.991 -2.003 -8.597
756 1HG2 VAL 91 1HG2 VAL 91 14.448 0.401 -11.748
757 2HG2 VAL 91 3HG2 VAL 91 14.497 0.841 -10.042
758 3HG2 VAL 91 2HG2 VAL 91 15.626 -0.355 -10.677
No H/Q in entry = 758
Start of MODEL 13
1 1H GLY 1 3H GLY 1 -11.163 7.797 -9.317
2 2H GLY 1 2H GLY 1 -11.334 6.127 -9.580
3 3H GLY 1 1H GLY 1 -12.600 7.013 -8.874
4 1HA GLY 1 2HA GLY 1 -11.809 6.520 -6.882
5 2HA GLY 1 1HA GLY 1 -10.410 5.743 -7.622
6 H GLU 2 H GLU 2 -9.330 6.771 -5.666
7 HA GLU 2 HA GLU 2 -8.396 9.519 -6.408
8 1HB GLU 2 2HB GLU 2 -9.238 8.466 -3.688
9 2HB GLU 2 1HB GLU 2 -8.500 10.044 -3.961
10 1HG GLU 2 2HG GLU 2 -10.959 9.240 -5.499
11 2HG GLU 2 1HG GLU 2 -11.106 9.877 -3.860
12 H TRP 3 H TRP 3 -6.175 9.727 -6.268
13 HA TRP 3 HA TRP 3 -4.662 7.439 -5.050
14 1HB TRP 3 2HB TRP 3 -2.949 8.017 -6.749
15 2HB TRP 3 1HB TRP 3 -4.506 7.675 -7.503
16 HD1 TRP 3 HD1 TRP 3 -5.899 9.734 -8.465
17 HE1 TRP 3 HE1 TRP 3 -5.178 12.106 -9.177
18 HE3 TRP 3 HE3 TRP 3 -1.304 9.963 -6.247
19 HZ2 TRP 3 HZ2 TRP 3 -2.949 13.866 -8.848
20 HZ3 TRP 3 HZ3 TRP 3 0.096 11.996 -6.463
21 HH2 TRP 3 HH2 TRP 3 -0.719 13.947 -7.758
22 H GLU 4 H GLU 4 -2.744 7.989 -3.846
23 HA GLU 4 HA GLU 4 -2.012 10.794 -3.398
24 1HB GLU 4 2HB GLU 4 -2.816 10.924 -1.137
25 2HB GLU 4 1HB GLU 4 -4.162 10.318 -2.102
26 1HG GLU 4 2HG GLU 4 -3.049 7.966 -1.474
27 2HG GLU 4 1HG GLU 4 -2.485 8.896 -0.085
28 H ILE 5 H ILE 5 0.146 10.829 -2.779
29 HA ILE 5 HA ILE 5 1.534 8.299 -2.364
30 HB ILE 5 HB ILE 5 3.461 9.700 -2.602
31 1HG1 ILE 5 2HG1 ILE 5 1.619 12.050 -2.099
32 2HG1 ILE 5 1HG1 ILE 5 2.769 11.401 -0.930
33 1HG2 ILE 5 1HG2 ILE 5 1.298 9.791 -4.408
34 2HG2 ILE 5 3HG2 ILE 5 1.949 11.429 -4.339
35 3HG2 ILE 5 2HG2 ILE 5 3.001 10.079 -4.768
36 1HD1 ILE 5 1HD1 ILE 5 4.616 11.859 -2.538
37 2HD1 ILE 5 3HD1 ILE 5 3.445 12.591 -3.637
38 3HD1 ILE 5 2HD1 ILE 5 3.760 13.327 -2.064
39 H ILE 6 H ILE 6 3.283 8.353 -0.513
40 HA ILE 6 HA ILE 6 1.904 9.230 2.007
41 HB ILE 6 HB ILE 6 3.785 7.370 2.770
42 1HG1 ILE 6 2HG1 ILE 6 4.217 6.941 0.289
43 2HG1 ILE 6 1HG1 ILE 6 3.832 5.523 1.259
44 1HG2 ILE 6 2HG2 ILE 6 1.003 7.652 2.727
45 2HG2 ILE 6 1HG2 ILE 6 1.310 6.056 2.048
46 3HG2 ILE 6 3HG2 ILE 6 1.937 6.469 3.643
47 1HD1 ILE 6 2HD1 ILE 6 1.336 6.166 0.466
48 2HD1 ILE 6 1HD1 ILE 6 2.231 6.857 -0.880
49 3HD1 ILE 6 3HD1 ILE 6 2.394 5.148 -0.504
50 H ASP 7 H ASP 7 4.130 8.930 3.745
51 HA ASP 7 HA ASP 7 6.118 10.870 2.630
52 1HB ASP 7 2HB ASP 7 4.030 11.513 4.305
53 2HB ASP 7 1HB ASP 7 5.351 11.256 5.445
54 H ILE 8 H ILE 8 6.744 8.191 2.848
55 HA ILE 8 HA ILE 8 8.140 6.617 3.934
56 HB ILE 8 HB ILE 8 9.579 8.426 2.927
57 1HG1 ILE 8 2HG1 ILE 8 10.599 7.154 5.486
58 2HG1 ILE 8 1HG1 ILE 8 10.564 6.385 3.899
59 1HG2 ILE 8 3HG2 ILE 8 9.232 9.532 5.701
60 2HG2 ILE 8 2HG2 ILE 8 10.722 9.843 4.814
61 3HG2 ILE 8 1HG2 ILE 8 9.176 10.373 4.154
62 1HD1 ILE 8 1HD1 ILE 8 11.885 9.033 3.988
63 2HD1 ILE 8 3HD1 ILE 8 12.716 7.746 4.863
64 3HD1 ILE 8 2HD1 ILE 8 12.367 7.562 3.144
65 H GLY 9 H GLY 9 6.023 7.329 5.569
66 1HA GLY 9 2HA GLY 9 7.331 7.243 8.255
67 2HA GLY 9 1HA GLY 9 5.927 8.274 7.990
68 HA PRO 10 HA PRO 10 3.353 4.826 8.699
69 1HB PRO 10 2HB PRO 10 1.284 5.210 6.950
70 2HB PRO 10 1HB PRO 10 1.579 6.251 8.354
71 1HG PRO 10 2HG PRO 10 1.965 6.809 5.513
72 2HG PRO 10 1HG PRO 10 1.829 7.928 6.873
73 1HD PRO 10 2HD PRO 10 4.200 7.052 5.516
74 2HD PRO 10 1HD PRO 10 4.072 8.212 6.856
75 H PHE 11 H PHE 11 3.170 5.123 5.114
76 HA PHE 11 HA PHE 11 2.740 2.416 4.546
77 1HB PHE 11 2HB PHE 11 4.067 4.719 3.161
78 2HB PHE 11 1HB PHE 11 4.155 3.118 2.420
79 HD1 PHE 11 HD1 PHE 11 1.383 4.383 4.543
80 HD2 PHE 11 HD2 PHE 11 2.679 3.430 0.561
81 HE1 PHE 11 HE1 PHE 11 -0.946 4.612 3.732
82 HE2 PHE 11 HE2 PHE 11 0.348 3.662 -0.250
83 HZ PHE 11 HZ PHE 11 -1.463 4.252 1.338
84 H THR 12 H THR 12 5.753 4.036 5.440
85 HA THR 12 HA THR 12 7.584 1.941 4.798
86 HB THR 12 HB THR 12 9.046 3.153 6.222
87 HG1 THR 12 HG1 THR 12 6.962 4.429 7.557
88 1HG2 THR 12 1HG2 THR 12 7.924 4.563 4.371
89 2HG2 THR 12 3HG2 THR 12 7.056 5.328 5.690
90 3HG2 THR 12 2HG2 THR 12 8.811 5.411 5.627
91 H GLN 13 H GLN 13 6.071 2.816 7.880
92 HA GLN 13 HA GLN 13 6.683 0.318 9.200
93 1HB GLN 13 2HB GLN 13 5.897 2.756 9.993
94 2HB GLN 13 1HB GLN 13 4.315 1.978 9.957
95 1HG GLN 13 2HG GLN 13 4.987 0.313 11.530
96 2HG GLN 13 1HG GLN 13 6.690 0.746 11.366
97 1HE2 GLN 13 2HE2 GLN 13 4.444 3.647 13.212
98 2HE2 GLN 13 1HE2 GLN 13 3.905 2.979 11.747
99 H ASN 14 H ASN 14 4.284 1.294 6.955
100 HA ASN 14 HA ASN 14 2.300 -0.747 7.590
101 1HB ASN 14 2HB ASN 14 2.226 1.610 6.324
102 2HB ASN 14 1HB ASN 14 2.497 0.574 4.923
103 1HD2 ASN 14 2HD2 ASN 14 -1.153 0.639 5.214
104 2HD2 ASN 14 1HD2 ASN 14 0.106 1.643 4.676
105 H LEU 15 H LEU 15 4.472 -0.226 4.848
106 HA LEU 15 HA LEU 15 4.195 -2.545 3.382
107 1HB LEU 15 2HB LEU 15 5.744 -0.961 2.610
108 2HB LEU 15 1HB LEU 15 6.520 -0.810 4.183
109 HG LEU 15 HG LEU 15 7.496 -3.064 3.921
110 1HD1 LEU 15 1HD1 LEU 15 5.787 -3.005 1.467
111 2HD1 LEU 15 3HD1 LEU 15 7.318 -3.877 1.397
112 3HD1 LEU 15 2HD1 LEU 15 6.099 -4.333 2.585
113 1HD2 LEU 15 1HD2 LEU 15 8.532 -0.884 2.949
114 2HD2 LEU 15 3HD2 LEU 15 9.199 -2.427 2.418
115 3HD2 LEU 15 2HD2 LEU 15 8.078 -1.547 1.380
116 H GLY 16 H GLY 16 6.721 -2.270 5.908
117 1HA GLY 16 2HA GLY 16 7.372 -4.968 6.143
118 2HA GLY 16 1HA GLY 16 7.416 -3.857 7.513
119 H LYS 17 H LYS 17 4.688 -3.257 7.753
120 HA LYS 17 HA LYS 17 3.723 -5.546 9.213
121 1HB LYS 17 2HB LYS 17 2.997 -2.770 8.630
122 2HB LYS 17 1HB LYS 17 1.595 -3.820 8.839
123 1HG LYS 17 2HG LYS 17 1.905 -3.538 11.062
124 2HG LYS 17 1HG LYS 17 3.284 -4.624 10.883
125 1HD LYS 17 2HD LYS 17 4.741 -2.668 10.415
126 2HD LYS 17 1HD LYS 17 3.360 -1.600 10.667
127 1HE LYS 17 2HE LYS 17 4.826 -1.845 12.710
128 2HE LYS 17 1HE LYS 17 3.150 -2.358 12.990
129 1HZ LYS 17 3HZ LYS 17 5.193 -4.254 12.007
130 2HZ LYS 17 2HZ LYS 17 4.995 -3.968 13.670
131 3HZ LYS 17 1HZ LYS 17 3.708 -4.593 12.753
132 H PHE 18 H PHE 18 1.614 -3.927 6.967
133 HA PHE 18 HA PHE 18 -0.045 -5.939 6.185
134 1HB PHE 18 2HB PHE 18 1.080 -3.523 4.927
135 2HB PHE 18 1HB PHE 18 0.342 -4.665 3.803
136 HD1 PHE 18 HD2 PHE 18 -0.284 -2.837 7.004
137 HD2 PHE 18 HD1 PHE 18 -2.001 -4.790 3.585
138 HE1 PHE 18 HE2 PHE 18 -2.537 -2.063 7.693
139 HE2 PHE 18 HE1 PHE 18 -4.254 -4.015 4.274
140 HZ PHE 18 HZ PHE 18 -4.522 -2.652 6.328
141 H ALA 19 H ALA 19 2.973 -5.261 4.462
142 HA ALA 19 HA ALA 19 2.988 -7.270 2.559
143 1HB ALA 19 3HB ALA 19 4.738 -5.510 3.092
144 2HB ALA 19 2HB ALA 19 5.344 -6.598 4.340
145 3HB ALA 19 1HB ALA 19 5.387 -7.087 2.646
146 H VAL 20 H VAL 20 4.713 -7.787 5.662
147 HA VAL 20 HA VAL 20 5.024 -10.533 5.581
148 HB VAL 20 HB VAL 20 4.362 -8.593 7.793
149 1HG1 VAL 20 3HG1 VAL 20 4.701 -11.578 7.949
150 2HG1 VAL 20 2HG1 VAL 20 5.277 -10.563 9.272
151 3HG1 VAL 20 1HG1 VAL 20 3.571 -10.542 8.823
152 1HG2 VAL 20 1HG2 VAL 20 6.822 -10.019 6.775
153 2HG2 VAL 20 3HG2 VAL 20 6.547 -8.283 6.923
154 3HG2 VAL 20 2HG2 VAL 20 6.786 -9.266 8.369
155 H ASP 21 H ASP 21 2.002 -8.792 6.021
156 HA ASP 21 HA ASP 21 0.551 -11.273 6.762
157 1HB ASP 21 2HB ASP 21 0.183 -8.363 6.890
158 2HB ASP 21 1HB ASP 21 -1.270 -9.209 6.356
159 H GLU 22 H GLU 22 -0.074 -8.717 4.297
160 HA GLU 22 HA GLU 22 -1.632 -10.451 2.654
161 1HB GLU 22 2HB GLU 22 0.037 -8.086 1.774
162 2HB GLU 22 1HB GLU 22 -1.449 -8.672 1.024
163 1HG GLU 22 2HG GLU 22 -1.847 -8.143 3.851
164 2HG GLU 22 1HG GLU 22 -1.242 -6.711 3.019
165 H GLU 23 H GLU 23 1.818 -9.702 2.627
166 HA GLU 23 HA GLU 23 2.533 -11.242 0.325
167 1HB GLU 23 2HB GLU 23 3.829 -9.533 1.888
168 2HB GLU 23 1HB GLU 23 4.295 -11.004 2.743
169 1HG GLU 23 2HG GLU 23 4.683 -11.668 0.075
170 2HG GLU 23 1HG GLU 23 5.217 -9.991 0.159
171 H ASN 24 H ASN 24 2.646 -12.092 3.806
172 HA ASN 24 HA ASN 24 3.259 -14.865 3.351
173 1HB ASN 24 2HB ASN 24 3.453 -13.601 5.515
174 2HB ASN 24 1HB ASN 24 1.691 -13.551 5.605
175 1HD2 ASN 24 2HD2 ASN 24 3.539 -16.761 7.044
176 2HD2 ASN 24 1HD2 ASN 24 4.282 -15.257 6.787
177 H LYS 25 H LYS 25 0.184 -13.123 3.846
178 HA LYS 25 HA LYS 25 -1.583 -15.323 3.589
179 1HB LYS 25 2HB LYS 25 -1.971 -12.850 4.218
180 2HB LYS 25 1HB LYS 25 -2.071 -12.562 2.481
181 1HG LYS 25 2HG LYS 25 -4.170 -13.376 2.401
182 2HG LYS 25 1HG LYS 25 -3.678 -14.857 3.225
183 1HD LYS 25 2HD LYS 25 -3.610 -13.105 5.301
184 2HD LYS 25 1HD LYS 25 -4.905 -12.398 4.333
185 1HE LYS 25 2HE LYS 25 -5.911 -14.757 4.210
186 2HE LYS 25 1HE LYS 25 -4.768 -15.192 5.497
187 1HZ LYS 25 1HZ LYS 25 -5.626 -12.972 6.527
188 2HZ LYS 25 3HZ LYS 25 -6.987 -13.265 5.559
189 3HZ LYS 25 2HZ LYS 25 -6.518 -14.404 6.729
190 H ILE 26 H ILE 26 -0.334 -13.146 1.084
191 HA ILE 26 HA ILE 26 -1.619 -14.395 -1.131
192 HB ILE 26 HB ILE 26 -0.232 -12.146 -0.823
193 1HG1 ILE 26 2HG1 ILE 26 -1.541 -12.471 -2.770
194 2HG1 ILE 26 1HG1 ILE 26 0.087 -12.133 -3.356
195 1HG2 ILE 26 1HG2 ILE 26 1.885 -13.938 -0.834
196 2HG2 ILE 26 3HG2 ILE 26 1.841 -13.359 -2.495
197 3HG2 ILE 26 2HG2 ILE 26 2.002 -12.216 -1.168
198 1HD1 ILE 26 1HD1 ILE 26 0.473 -14.624 -3.476
199 2HD1 ILE 26 3HD1 ILE 26 -1.238 -14.848 -3.108
200 3HD1 ILE 26 2HD1 ILE 26 -0.755 -14.030 -4.595
201 H GLY 27 H GLY 27 1.061 -15.388 0.784
202 1HA GLY 27 2HA GLY 27 1.545 -17.871 0.535
203 2HA GLY 27 1HA GLY 27 1.660 -17.556 -1.197
204 H GLN 28 H GLN 28 2.894 -15.276 1.155
205 HA GLN 28 HA GLN 28 5.686 -16.086 0.410
206 1HB GLN 28 2HB GLN 28 4.379 -13.887 -0.484
207 2HB GLN 28 1HB GLN 28 5.046 -13.247 1.018
208 1HG GLN 28 2HG GLN 28 6.604 -12.906 -0.878
209 2HG GLN 28 1HG GLN 28 7.298 -13.974 0.344
210 1HE2 GLN 28 2HE2 GLN 28 7.626 -16.671 -1.891
211 2HE2 GLN 28 1HE2 GLN 28 8.011 -15.997 -0.381
212 H TYR 29 H TYR 29 5.089 -17.267 2.622
213 HA TYR 29 HA TYR 29 5.269 -15.515 4.990
214 1HB TYR 29 2HB TYR 29 4.953 -17.642 6.174
215 2HB TYR 29 1HB TYR 29 3.802 -17.530 4.842
216 HD1 TYR 29 HD2 TYR 29 7.043 -19.014 5.898
217 HD2 TYR 29 HD1 TYR 29 3.868 -19.057 3.005
218 HE1 TYR 29 HE2 TYR 29 7.948 -21.113 4.937
219 HE2 TYR 29 HE1 TYR 29 4.772 -21.156 2.043
220 HH TYR 29 HH TYR 29 7.671 -22.711 3.427
221 H GLY 30 H GLY 30 7.521 -16.044 2.894
222 1HA GLY 30 2HA GLY 30 9.646 -17.531 3.831
223 2HA GLY 30 1HA GLY 30 9.875 -15.945 3.095
224 H ARG 31 H ARG 31 9.211 -14.086 4.762
225 HA ARG 31 HA ARG 31 9.726 -14.660 7.575
226 1HB ARG 31 2HB ARG 31 11.888 -13.871 5.671
227 2HB ARG 31 1HB ARG 31 11.914 -13.127 7.271
228 1HG ARG 31 2HG ARG 31 11.475 -15.659 8.028
229 2HG ARG 31 1HG ARG 31 12.301 -15.984 6.503
230 1HD ARG 31 2HD ARG 31 13.836 -13.959 7.670
231 2HD ARG 31 1HD ARG 31 13.423 -15.033 9.021
232 HE ARG 31 HE ARG 31 14.082 -16.830 7.075
233 1HH1 ARG 31 2HH1 ARG 31 15.731 -14.930 5.601
234 2HH1 ARG 31 1HH1 ARG 31 17.270 -15.025 6.390
235 1HH2 ARG 31 1HH2 ARG 31 16.009 -16.544 9.242
236 2HH2 ARG 31 2HH2 ARG 31 17.428 -15.940 8.452
237 H LEU 32 H LEU 32 11.020 -11.810 5.991
238 HA LEU 32 HA LEU 32 8.670 -10.240 7.000
239 1HB LEU 32 2HB LEU 32 11.565 -9.367 6.777
240 2HB LEU 32 1HB LEU 32 10.261 -8.526 7.616
241 HG LEU 32 HG LEU 32 10.141 -10.964 8.823
242 1HD1 LEU 32 2HD1 LEU 32 12.428 -11.226 7.368
243 2HD1 LEU 32 1HD1 LEU 32 13.074 -10.551 8.864
244 3HD1 LEU 32 3HD1 LEU 32 12.147 -12.051 8.902
245 1HD2 LEU 32 1HD2 LEU 32 11.868 -8.574 9.537
246 2HD2 LEU 32 3HD2 LEU 32 10.186 -8.836 10.000
247 3HD2 LEU 32 2HD2 LEU 32 11.455 -9.866 10.664
248 H THR 33 H THR 33 8.904 -7.899 5.848
249 HA THR 33 HA THR 33 9.563 -8.278 2.963
250 HB THR 33 HB THR 33 7.150 -6.781 3.199
251 HG1 THR 33 HG1 THR 33 6.640 -9.295 4.243
252 1HG2 THR 33 1HG2 THR 33 7.839 -9.540 2.177
253 2HG2 THR 33 3HG2 THR 33 6.236 -8.829 1.984
254 3HG2 THR 33 2HG2 THR 33 7.638 -8.059 1.241
255 H PHE 34 H PHE 34 11.205 -6.850 4.606
256 HA PHE 34 HA PHE 34 11.041 -4.150 3.515
257 1HB PHE 34 2HB PHE 34 10.613 -3.009 5.599
258 2HB PHE 34 1HB PHE 34 9.368 -4.245 5.427
259 HD1 PHE 34 HD1 PHE 34 12.454 -3.284 7.203
260 HD2 PHE 34 HD2 PHE 34 9.349 -6.229 6.836
261 HE1 PHE 34 HE1 PHE 34 13.164 -4.302 9.351
262 HE2 PHE 34 HE2 PHE 34 10.060 -7.248 8.983
263 HZ PHE 34 HZ PHE 34 11.967 -6.284 10.240
264 H ASN 35 H ASN 35 13.153 -3.500 3.284
265 HA ASN 35 HA ASN 35 15.157 -4.194 5.349
266 1HB ASN 35 2HB ASN 35 14.746 -5.992 3.415
267 2HB ASN 35 1HB ASN 35 15.818 -4.912 2.521
268 1HD2 ASN 35 2HD2 ASN 35 18.657 -6.260 4.085
269 2HD2 ASN 35 1HD2 ASN 35 17.964 -5.545 2.710
270 H LYS 36 H LYS 36 15.208 -3.136 1.913
271 HA LYS 36 HA LYS 36 17.269 -1.181 2.373
272 1HB LYS 36 2HB LYS 36 15.499 -2.122 0.206
273 2HB LYS 36 1HB LYS 36 16.064 -0.460 0.030
274 1HG LYS 36 2HG LYS 36 18.204 -2.217 0.918
275 2HG LYS 36 1HG LYS 36 17.505 -2.772 -0.602
276 1HD LYS 36 2HD LYS 36 18.964 -1.244 -1.490
277 2HD LYS 36 1HD LYS 36 17.655 -0.121 -1.117
278 1HE LYS 36 2HE LYS 36 19.370 0.977 -0.013
279 2HE LYS 36 1HE LYS 36 18.912 -0.146 1.285
280 1HZ LYS 36 2HZ LYS 36 20.458 -1.748 -0.068
281 2HZ LYS 36 1HZ LYS 36 21.165 -0.293 -0.589
282 3HZ LYS 36 3HZ LYS 36 21.115 -0.665 1.065
283 H VAL 37 H VAL 37 14.409 0.050 0.740
284 HA VAL 37 HA VAL 37 13.635 1.727 3.051
285 HB VAL 37 HB VAL 37 15.184 2.654 0.637
286 1HG1 VAL 37 1HG1 VAL 37 13.519 4.359 2.514
287 2HG1 VAL 37 3HG1 VAL 37 14.669 4.983 1.330
288 3HG1 VAL 37 2HG1 VAL 37 13.226 4.123 0.791
289 1HG2 VAL 37 1HG2 VAL 37 15.459 2.817 3.634
290 2HG2 VAL 37 3HG2 VAL 37 16.614 2.198 2.454
291 3HG2 VAL 37 2HG2 VAL 37 16.333 3.933 2.584
292 H ILE 38 H ILE 38 11.934 3.376 2.336
293 HA ILE 38 HA ILE 38 10.270 2.375 0.038
294 HB ILE 38 HB ILE 38 9.327 1.557 2.122
295 1HG1 ILE 38 2HG1 ILE 38 8.016 3.728 0.612
296 2HG1 ILE 38 1HG1 ILE 38 7.422 2.126 1.006
297 1HG2 ILE 38 2HG2 ILE 38 10.604 3.095 3.609
298 2HG2 ILE 38 1HG2 ILE 38 9.515 4.406 3.161
299 3HG2 ILE 38 3HG2 ILE 38 8.904 3.010 4.044
300 1HD1 ILE 38 1HD1 ILE 38 7.081 3.069 3.397
301 2HD1 ILE 38 3HD1 ILE 38 7.234 4.650 2.635
302 3HD1 ILE 38 2HD1 ILE 38 5.947 3.554 2.140
303 H ARG 39 H ARG 39 11.176 4.187 -1.203
304 HA ARG 39 HA ARG 39 10.448 6.898 -0.184
305 1HB ARG 39 2HB ARG 39 12.676 5.774 -1.511
306 2HB ARG 39 1HB ARG 39 11.904 6.847 -2.680
307 1HG ARG 39 2HG ARG 39 12.007 8.709 -1.145
308 2HG ARG 39 1HG ARG 39 12.557 7.663 0.164
309 1HD ARG 39 2HD ARG 39 14.717 7.619 -0.609
310 2HD ARG 39 1HD ARG 39 14.210 7.612 -2.310
311 HE ARG 39 HE ARG 39 13.456 10.113 -1.183
312 1HH1 ARG 39 1HH2 ARG 39 15.630 8.778 -3.280
313 2HH1 ARG 39 2HH2 ARG 39 16.892 9.938 -3.030
314 1HH2 ARG 39 2HH1 ARG 39 15.355 11.414 -0.296
315 2HH2 ARG 39 1HH1 ARG 39 16.736 11.431 -1.341
316 HA PRO 40 HA PRO 40 8.274 6.782 -4.337
317 1HB PRO 40 2HB PRO 40 8.602 4.645 -6.019
318 2HB PRO 40 1HB PRO 40 9.688 6.043 -5.989
319 1HG PRO 40 2HG PRO 40 10.165 3.317 -5.073
320 2HG PRO 40 1HG PRO 40 11.315 4.608 -5.417
321 1HD PRO 40 2HD PRO 40 10.357 3.724 -2.854
322 2HD PRO 40 1HD PRO 40 11.562 4.974 -3.217
323 H CYS 41 H CYS 41 7.176 5.797 -2.055
324 HA CYS 41 HA CYS 41 5.455 3.485 -2.849
325 1HB CYS 41 2HB CYS 41 4.957 3.456 -0.387
326 2HB CYS 41 1HB CYS 41 6.673 3.271 -0.744
327 HG CYS 41 HG CYS 41 7.126 5.631 0.100
328 H MET 42 H MET 42 3.467 4.027 -3.634
329 HA MET 42 HA MET 42 2.237 6.612 -2.735
330 1HB MET 42 2HB MET 42 2.510 5.186 -5.342
331 2HB MET 42 1HB MET 42 1.034 6.117 -5.078
332 1HG MET 42 2HG MET 42 2.551 8.049 -4.364
333 2HG MET 42 1HG MET 42 3.890 7.110 -5.022
334 1HE MET 42 1HE MET 42 4.007 6.213 -7.429
335 2HE MET 42 3HE MET 42 3.852 7.503 -8.631
336 3HE MET 42 2HE MET 42 4.773 7.777 -7.154
337 H LYS 43 H LYS 43 -0.289 6.465 -3.203
338 HA LYS 43 HA LYS 43 -1.328 3.765 -2.445
339 1HB LYS 43 2HB LYS 43 -1.027 5.044 -0.395
340 2HB LYS 43 1HB LYS 43 -1.861 6.429 -1.095
341 1HG LYS 43 2HG LYS 43 -3.583 4.186 -1.388
342 2HG LYS 43 1HG LYS 43 -2.998 4.178 0.274
343 1HD LYS 43 2HD LYS 43 -3.640 6.571 0.487
344 2HD LYS 43 1HD LYS 43 -4.292 6.521 -1.151
345 1HE LYS 43 2HE LYS 43 -6.216 5.568 -0.425
346 2HE LYS 43 1HE LYS 43 -5.322 4.319 0.466
347 1HZ LYS 43 3HZ LYS 43 -5.612 7.131 1.379
348 2HZ LYS 43 2HZ LYS 43 -6.588 5.853 1.927
349 3HZ LYS 43 1HZ LYS 43 -4.918 5.846 2.242
350 H LYS 44 H LYS 44 -3.524 3.419 -3.095
351 HA LYS 44 HA LYS 44 -4.895 5.584 -4.598
352 1HB LYS 44 2HB LYS 44 -3.338 3.455 -5.745
353 2HB LYS 44 1HB LYS 44 -5.032 3.206 -6.167
354 1HG LYS 44 2HG LYS 44 -5.175 5.525 -6.992
355 2HG LYS 44 1HG LYS 44 -3.481 5.780 -6.571
356 1HD LYS 44 2HD LYS 44 -3.255 3.534 -8.070
357 2HD LYS 44 1HD LYS 44 -4.660 4.273 -8.839
358 1HE LYS 44 2HE LYS 44 -3.068 6.459 -8.623
359 2HE LYS 44 1HE LYS 44 -1.834 5.196 -8.798
360 1HZ LYS 44 2HZ LYS 44 -4.215 5.040 -10.494
361 2HZ LYS 44 1HZ LYS 44 -3.045 6.206 -10.891
362 3HZ LYS 44 3HZ LYS 44 -2.617 4.566 -10.827
363 H THR 45 H THR 45 -6.777 5.534 -3.373
364 HA THR 45 HA THR 45 -8.046 2.862 -2.877
365 HB THR 45 HB THR 45 -8.001 5.522 -1.448
366 HG1 THR 45 HG1 THR 45 -7.877 3.098 -0.136
367 1HG2 THR 45 3HG2 THR 45 -10.242 3.658 -1.607
368 2HG2 THR 45 2HG2 THR 45 -9.685 3.881 0.043
369 3HG2 THR 45 1HG2 THR 45 -10.185 5.273 -0.918
370 H ILE 46 H ILE 46 -10.334 2.683 -3.276
371 HA ILE 46 HA ILE 46 -11.484 4.847 -5.019
372 HB ILE 46 HB ILE 46 -10.904 2.755 -6.228
373 1HG1 ILE 46 2HG1 ILE 46 -13.570 2.118 -6.522
374 2HG1 ILE 46 1HG1 ILE 46 -13.651 3.752 -5.862
375 1HG2 ILE 46 2HG2 ILE 46 -12.169 1.603 -3.821
376 2HG2 ILE 46 1HG2 ILE 46 -12.643 0.834 -5.336
377 3HG2 ILE 46 3HG2 ILE 46 -10.941 0.917 -4.884
378 1HD1 ILE 46 1HD1 ILE 46 -11.661 3.263 -8.026
379 2HD1 ILE 46 3HD1 ILE 46 -13.362 3.297 -8.491
380 3HD1 ILE 46 2HD1 ILE 46 -12.637 4.695 -7.697
381 H TYR 47 H TYR 47 -11.597 4.792 -2.222
382 HA TYR 47 HA TYR 47 -14.031 3.496 -1.307
383 1HB TYR 47 2HB TYR 47 -13.368 4.386 0.815
384 2HB TYR 47 1HB TYR 47 -11.903 3.882 -0.016
385 HD1 TYR 47 HD2 TYR 47 -12.433 6.560 -1.941
386 HD2 TYR 47 HD1 TYR 47 -11.745 5.751 2.225
387 HE1 TYR 47 HE2 TYR 47 -11.495 8.828 -1.655
388 HE2 TYR 47 HE1 TYR 47 -10.804 8.026 2.505
389 HH TYR 47 HH TYR 47 -11.298 10.456 0.676
390 H GLU 48 H GLU 48 -14.816 5.558 0.447
391 HA GLU 48 HA GLU 48 -16.897 6.811 -1.060
392 1HB GLU 48 2HB GLU 48 -17.625 7.349 1.077
393 2HB GLU 48 1HB GLU 48 -16.483 6.064 1.423
394 1HG GLU 48 2HG GLU 48 -15.910 9.026 1.631
395 2HG GLU 48 1HG GLU 48 -16.106 7.904 2.975
396 H ASN 49 H ASN 49 -17.148 9.293 -0.065
397 HA ASN 49 HA ASN 49 -14.805 10.857 -1.119
398 1HB ASN 49 2HB ASN 49 -17.189 10.540 -2.394
399 2HB ASN 49 1HB ASN 49 -17.573 11.927 -1.376
400 1HD2 ASN 49 2HD2 ASN 49 -16.175 13.781 -4.094
401 2HD2 ASN 49 1HD2 ASN 49 -17.629 13.273 -3.380
402 H GLU 50 H GLU 50 -17.701 10.775 0.909
403 HA GLU 50 HA GLU 50 -16.427 12.010 3.171
404 1HB GLU 50 2HB GLU 50 -16.541 13.955 1.660
405 2HB GLU 50 1HB GLU 50 -18.274 13.703 1.452
406 1HG GLU 50 2HG GLU 50 -18.785 14.483 3.560
407 2HG GLU 50 1HG GLU 50 -17.247 13.953 4.243
408 H ARG 51 H ARG 51 -18.349 9.787 2.346
409 HA ARG 51 HA ARG 51 -20.156 10.038 4.611
410 1HB ARG 51 2HB ARG 51 -21.046 11.594 2.803
411 2HB ARG 51 1HB ARG 51 -21.404 10.146 1.861
412 1HG ARG 51 2HG ARG 51 -22.557 9.382 4.136
413 2HG ARG 51 1HG ARG 51 -22.667 11.124 4.388
414 1HD ARG 51 2HD ARG 51 -23.882 11.411 2.298
415 2HD ARG 51 1HD ARG 51 -23.649 9.700 1.888
416 HE ARG 51 HE ARG 51 -24.819 9.569 4.373
417 1HH1 ARG 51 2HH1 ARG 51 -25.669 12.221 2.609
418 2HH1 ARG 51 1HH1 ARG 51 -27.323 11.776 2.351
419 1HH2 ARG 51 1HH2 ARG 51 -26.916 8.545 3.545
420 2HH2 ARG 51 2HH2 ARG 51 -28.029 9.695 2.881
421 H GLU 52 H GLU 52 -19.157 8.238 1.704
422 HA GLU 52 HA GLU 52 -20.583 5.838 2.833
423 1HB GLU 52 2HB GLU 52 -20.796 5.073 0.578
424 2HB GLU 52 1HB GLU 52 -21.244 6.776 0.574
425 1HG GLU 52 2HG GLU 52 -18.394 6.007 0.021
426 2HG GLU 52 1HG GLU 52 -19.595 5.854 -1.254
427 H ILE 53 H ILE 53 -19.091 4.172 0.931
428 HA ILE 53 HA ILE 53 -16.245 4.243 1.590
429 HB ILE 53 HB ILE 53 -17.424 3.587 3.739
430 1HG1 ILE 53 2HG1 ILE 53 -15.809 1.252 2.758
431 2HG1 ILE 53 1HG1 ILE 53 -15.047 2.840 2.863
432 1HG2 ILE 53 1HG2 ILE 53 -18.874 1.949 2.002
433 2HG2 ILE 53 3HG2 ILE 53 -17.825 0.833 2.878
434 3HG2 ILE 53 2HG2 ILE 53 -18.919 1.897 3.764
435 1HD1 ILE 53 1HD1 ILE 53 -16.326 2.726 5.272
436 2HD1 ILE 53 3HD1 ILE 53 -15.926 1.026 5.027
437 3HD1 ILE 53 2HD1 ILE 53 -14.649 2.243 5.025
438 H LYS 54 H LYS 54 -15.108 2.781 0.213
439 HA LYS 54 HA LYS 54 -16.806 0.806 -1.259
440 1HB LYS 54 2HB LYS 54 -15.628 3.265 -2.238
441 2HB LYS 54 1HB LYS 54 -15.065 1.861 -3.150
442 1HG LYS 54 2HG LYS 54 -17.082 1.524 -4.097
443 2HG LYS 54 1HG LYS 54 -17.922 1.740 -2.562
444 1HD LYS 54 2HD LYS 54 -17.929 4.122 -2.792
445 2HD LYS 54 1HD LYS 54 -16.791 4.062 -4.139
446 1HE LYS 54 2HE LYS 54 -19.204 2.454 -4.618
447 2HE LYS 54 1HE LYS 54 -19.541 4.185 -4.413
448 1HZ LYS 54 2HZ LYS 54 -17.435 4.442 -5.879
449 2HZ LYS 54 1HZ LYS 54 -17.791 2.856 -6.374
450 3HZ LYS 54 3HZ LYS 54 -18.924 4.094 -6.618
451 H GLY 55 H GLY 55 -13.332 1.826 -1.738
452 1HA GLY 55 2HA GLY 55 -12.550 -0.852 -0.713
453 2HA GLY 55 1HA GLY 55 -12.218 -0.528 -2.414
454 H TYR 56 H TYR 56 -10.036 -1.054 -0.950
455 HA TYR 56 HA TYR 56 -8.680 1.580 -0.864
456 1HB TYR 56 2HB TYR 56 -9.677 1.021 1.395
457 2HB TYR 56 1HB TYR 56 -8.606 -0.380 1.446
458 HD1 TYR 56 HD2 TYR 56 -6.057 0.148 0.909
459 HD2 TYR 56 HD1 TYR 56 -8.920 3.030 2.304
460 HE1 TYR 56 HE2 TYR 56 -4.210 1.588 1.724
461 HE2 TYR 56 HE1 TYR 56 -7.074 4.470 3.119
462 HH TYR 56 HH TYR 56 -4.799 4.377 3.717
463 H GLU 57 H GLU 57 -7.298 0.939 -2.561
464 HA GLU 57 HA GLU 57 -5.517 -1.411 -1.986
465 1HB GLU 57 2HB GLU 57 -5.413 -1.703 -4.407
466 2HB GLU 57 1HB GLU 57 -7.110 -1.597 -3.938
467 1HG GLU 57 2HG GLU 57 -7.176 0.763 -4.568
468 2HG GLU 57 1HG GLU 57 -5.454 0.732 -4.951
469 H TYR 58 H TYR 58 -3.294 -1.024 -3.230
470 HA TYR 58 HA TYR 58 -2.624 1.836 -3.521
471 1HB TYR 58 2HB TYR 58 -1.488 2.138 -1.540
472 2HB TYR 58 1HB TYR 58 -2.698 0.983 -1.009
473 HD1 TYR 58 HD1 TYR 58 -1.426 -1.498 -2.386
474 HD2 TYR 58 HD2 TYR 58 0.233 1.627 0.046
475 HE1 TYR 58 HE1 TYR 58 0.344 -3.037 -1.607
476 HE2 TYR 58 HE2 TYR 58 2.000 0.085 0.821
477 HH TYR 58 HH TYR 58 2.920 -1.923 0.580
478 H GLN 59 H GLN 59 -0.160 2.106 -3.658
479 HA GLN 59 HA GLN 59 1.153 -0.194 -5.037
480 1HB GLN 59 2HB GLN 59 0.569 2.609 -5.984
481 2HB GLN 59 1HB GLN 59 2.018 1.790 -6.568
482 1HG GLN 59 2HG GLN 59 0.826 0.420 -7.916
483 2HG GLN 59 1HG GLN 59 -0.358 0.081 -6.654
484 1HE2 GLN 59 2HE2 GLN 59 -1.567 2.385 -9.590
485 2HE2 GLN 59 1HE2 GLN 59 -0.383 1.172 -9.679
486 H LEU 60 H LEU 60 2.994 -0.527 -3.814
487 HA LEU 60 HA LEU 60 4.271 1.862 -2.532
488 1HB LEU 60 2HB LEU 60 3.216 0.147 -1.057
489 2HB LEU 60 1HB LEU 60 4.292 -1.070 -1.733
490 HG LEU 60 HG LEU 60 6.075 0.886 -1.007
491 1HD1 LEU 60 2HD1 LEU 60 3.830 1.847 0.139
492 2HD1 LEU 60 1HD1 LEU 60 4.344 0.744 1.416
493 3HD1 LEU 60 3HD1 LEU 60 5.421 2.033 0.878
494 1HD2 LEU 60 1HD2 LEU 60 5.001 -1.396 0.687
495 2HD2 LEU 60 3HD2 LEU 60 6.287 -1.510 -0.514
496 3HD2 LEU 60 2HD2 LEU 60 6.537 -0.573 0.958
497 H TYR 61 H TYR 61 5.303 1.983 -4.787
498 HA TYR 61 HA TYR 61 7.188 -0.038 -5.609
499 1HB TYR 61 2HB TYR 61 6.326 1.403 -7.241
500 2HB TYR 61 1HB TYR 61 6.540 2.826 -6.231
501 HD1 TYR 61 HD2 TYR 61 9.216 0.323 -6.446
502 HD2 TYR 61 HD1 TYR 61 7.722 4.016 -8.050
503 HE1 TYR 61 HE2 TYR 61 11.413 0.748 -7.516
504 HE2 TYR 61 HE1 TYR 61 9.917 4.440 -9.121
505 HH TYR 61 HH TYR 61 11.935 2.699 -9.925
506 H VAL 62 H VAL 62 8.892 -0.540 -4.286
507 HA VAL 62 HA VAL 62 10.703 1.614 -3.322
508 HB VAL 62 HB VAL 62 10.410 0.839 -0.992
509 1HG1 VAL 62 3HG1 VAL 62 9.009 2.697 -2.051
510 2HG1 VAL 62 2HG1 VAL 62 7.714 1.507 -2.175
511 3HG1 VAL 62 1HG1 VAL 62 8.350 1.954 -0.604
512 1HG2 VAL 62 3HG2 VAL 62 8.487 -1.023 -2.351
513 2HG2 VAL 62 2HG2 VAL 62 9.688 -1.375 -1.107
514 3HG2 VAL 62 1HG2 VAL 62 8.199 -0.532 -0.682
515 H TYR 63 H TYR 63 12.004 -0.016 -1.457
516 HA TYR 63 HA TYR 63 12.774 -2.494 -2.897
517 1HB TYR 63 2HB TYR 63 14.226 -0.645 -3.685
518 2HB TYR 63 1HB TYR 63 14.685 -0.311 -2.016
519 HD1 TYR 63 HD2 TYR 63 14.096 -3.814 -2.802
520 HD2 TYR 63 HD1 TYR 63 17.058 -0.703 -2.796
521 HE1 TYR 63 HE2 TYR 63 15.890 -5.518 -2.956
522 HE2 TYR 63 HE1 TYR 63 18.851 -2.409 -2.952
523 HH TYR 63 HH TYR 63 18.406 -5.459 -3.902
524 H ALA 64 H ALA 64 12.883 -4.106 -1.410
525 HA ALA 64 HA ALA 64 13.422 -3.361 1.442
526 1HB ALA 64 3HB ALA 64 11.091 -4.079 0.680
527 2HB ALA 64 2HB ALA 64 11.789 -5.672 0.389
528 3HB ALA 64 1HB ALA 64 11.778 -4.998 2.018
529 H SER 65 H SER 65 13.256 -6.460 1.778
530 HA SER 65 HA SER 65 16.142 -6.940 1.367
531 1HB SER 65 2HB SER 65 15.617 -7.931 3.354
532 2HB SER 65 1HB SER 65 13.898 -7.958 2.973
533 HG SER 65 HG SER 65 14.274 -10.026 2.750
534 H ASP 66 H ASP 66 13.055 -7.788 -0.022
535 HA ASP 66 HA ASP 66 14.427 -9.218 -2.237
536 1HB ASP 66 2HB ASP 66 13.066 -10.462 -0.058
537 2HB ASP 66 1HB ASP 66 12.060 -10.665 -1.493
538 H LYS 67 H LYS 67 12.628 -6.731 -1.505
539 HA LYS 67 HA LYS 67 10.579 -7.136 -3.674
540 1HB LYS 67 2HB LYS 67 9.500 -6.827 -1.592
541 2HB LYS 67 1HB LYS 67 10.645 -5.583 -1.091
542 1HG LYS 67 2HG LYS 67 9.408 -4.801 -3.571
543 2HG LYS 67 1HG LYS 67 8.162 -5.198 -2.392
544 1HD LYS 67 2HD LYS 67 10.504 -3.487 -1.608
545 2HD LYS 67 1HD LYS 67 9.117 -2.779 -2.431
546 1HE LYS 67 2HE LYS 67 9.087 -4.286 0.205
547 2HE LYS 67 1HE LYS 67 8.708 -2.573 -0.053
548 1HZ LYS 67 2HZ LYS 67 7.115 -3.739 -1.854
549 2HZ LYS 67 1HZ LYS 67 7.109 -4.923 -0.635
550 3HZ LYS 67 3HZ LYS 67 6.616 -3.340 -0.281
551 H LEU 68 H LEU 68 12.372 -6.445 -5.140
552 HA LEU 68 HA LEU 68 13.243 -3.612 -4.977
553 1HB LEU 68 2HB LEU 68 13.703 -5.696 -7.135
554 2HB LEU 68 1HB LEU 68 14.661 -4.247 -6.832
555 HG LEU 68 HG LEU 68 14.673 -5.564 -4.381
556 1HD1 LEU 68 2HD1 LEU 68 14.183 -7.466 -6.521
557 2HD1 LEU 68 1HD1 LEU 68 15.728 -7.784 -5.733
558 3HD1 LEU 68 3HD1 LEU 68 14.244 -7.741 -4.781
559 1HD2 LEU 68 2HD2 LEU 68 16.651 -5.511 -6.675
560 2HD2 LEU 68 1HD2 LEU 68 16.598 -4.434 -5.279
561 3HD2 LEU 68 3HD2 LEU 68 17.054 -6.125 -5.071
562 H PHE 69 H PHE 69 10.564 -3.486 -5.148
563 HA PHE 69 HA PHE 69 10.084 -2.270 -7.705
564 1HB PHE 69 2HB PHE 69 8.332 -4.108 -8.322
565 2HB PHE 69 1HB PHE 69 10.018 -4.411 -8.639
566 HD1 PHE 69 HD2 PHE 69 8.278 -4.545 -5.320
567 HD2 PHE 69 HD1 PHE 69 10.193 -6.740 -8.479
568 HE1 PHE 69 HE2 PHE 69 8.223 -6.592 -3.931
569 HE2 PHE 69 HE1 PHE 69 10.142 -8.787 -7.083
570 HZ PHE 69 HZ PHE 69 9.156 -8.714 -4.810
571 H ARG 70 H ARG 70 7.130 -3.661 -7.002
572 HA ARG 70 HA ARG 70 6.548 -1.621 -4.890
573 1HB ARG 70 2HB ARG 70 5.919 -0.727 -7.059
574 2HB ARG 70 1HB ARG 70 5.057 -2.214 -7.456
575 1HG ARG 70 2HG ARG 70 3.609 -1.755 -5.368
576 2HG ARG 70 1HG ARG 70 4.312 -0.135 -5.374
577 1HD ARG 70 2HD ARG 70 3.015 -1.310 -7.846
578 2HD ARG 70 1HD ARG 70 2.099 -0.382 -6.643
579 HE ARG 70 HE ARG 70 3.932 1.415 -7.007
580 1HH1 ARG 70 2HH1 ARG 70 5.056 -0.568 -9.175
581 2HH1 ARG 70 1HH1 ARG 70 4.568 0.273 -10.608
582 1HH2 ARG 70 1HH2 ARG 70 2.378 2.383 -8.941
583 2HH2 ARG 70 2HH2 ARG 70 3.052 1.944 -10.475
584 H ALA 71 H ALA 71 5.549 -2.522 -3.188
585 HA ALA 71 HA ALA 71 4.334 -5.197 -3.387
586 1HB ALA 71 1HB ALA 71 5.051 -3.177 -1.296
587 2HB ALA 71 3HB ALA 71 3.764 -4.315 -0.900
588 3HB ALA 71 2HB ALA 71 5.368 -4.912 -1.322
589 H ASP 72 H ASP 72 2.403 -5.045 -4.571
590 HA ASP 72 HA ASP 72 0.624 -2.723 -4.197
591 1HB ASP 72 2HB ASP 72 1.258 -4.547 -6.224
592 2HB ASP 72 1HB ASP 72 -0.388 -4.975 -5.751
593 H ILE 73 H ILE 73 -1.604 -2.982 -3.502
594 HA ILE 73 HA ILE 73 -2.462 -5.519 -2.336
595 HB ILE 73 HB ILE 73 -0.830 -4.202 -0.735
596 1HG1 ILE 73 2HG1 ILE 73 -2.137 -6.256 -0.198
597 2HG1 ILE 73 1HG1 ILE 73 -1.997 -5.161 1.178
598 1HG2 ILE 73 1HG2 ILE 73 -2.678 -2.205 -1.046
599 2HG2 ILE 73 3HG2 ILE 73 -3.250 -2.978 0.431
600 3HG2 ILE 73 2HG2 ILE 73 -1.604 -2.352 0.341
601 1HD1 ILE 73 1HD1 ILE 73 -4.288 -4.288 -0.162
602 2HD1 ILE 73 3HD1 ILE 73 -4.386 -6.047 -0.233
603 3HD1 ILE 73 2HD1 ILE 73 -4.247 -5.235 1.325
604 H SER 74 H SER 74 -4.697 -5.585 -2.150
605 HA SER 74 HA SER 74 -6.151 -3.019 -2.697
606 1HB SER 74 2HB SER 74 -5.798 -5.130 -4.421
607 2HB SER 74 1HB SER 74 -7.309 -5.588 -3.641
608 HG SER 74 HG SER 74 -7.120 -3.974 -5.594
609 H GLU 75 H GLU 75 -8.313 -2.945 -1.643
610 HA GLU 75 HA GLU 75 -9.077 -5.222 0.069
611 1HB GLU 75 2HB GLU 75 -7.352 -3.173 0.982
612 2HB GLU 75 1HB GLU 75 -8.915 -2.875 1.743
613 1HG GLU 75 2HG GLU 75 -8.602 -5.640 1.917
614 2HG GLU 75 1HG GLU 75 -6.991 -5.008 2.254
615 H ASP 76 H ASP 76 -11.163 -5.290 -0.617
616 HA ASP 76 HA ASP 76 -12.886 -3.296 -1.498
617 1HB ASP 76 2HB ASP 76 -14.648 -4.888 -0.567
618 2HB ASP 76 1HB ASP 76 -13.428 -5.634 -1.599
619 H TYR 77 H TYR 77 -15.051 -2.857 -0.075
620 HA TYR 77 HA TYR 77 -14.562 -2.228 2.747
621 1HB TYR 77 2HB TYR 77 -13.630 -0.435 0.830
622 2HB TYR 77 1HB TYR 77 -15.187 0.245 1.302
623 HD1 TYR 77 HD2 TYR 77 -15.072 -1.065 4.153
624 HD2 TYR 77 HD1 TYR 77 -12.351 1.371 1.892
625 HE1 TYR 77 HE2 TYR 77 -14.069 -0.227 6.261
626 HE2 TYR 77 HE1 TYR 77 -11.348 2.209 4.000
627 HH TYR 77 HH TYR 77 -12.769 1.508 7.114
628 H LYS 78 H LYS 78 -16.508 -1.682 -0.160
629 HA LYS 78 HA LYS 78 -18.977 -2.280 1.371
630 1HB LYS 78 2HB LYS 78 -18.171 0.295 1.118
631 2HB LYS 78 1HB LYS 78 -19.073 0.119 -0.387
632 1HG LYS 78 2HG LYS 78 -20.777 -1.078 1.381
633 2HG LYS 78 1HG LYS 78 -20.051 0.164 2.404
634 1HD LYS 78 2HD LYS 78 -21.813 1.351 1.450
635 2HD LYS 78 1HD LYS 78 -20.508 1.719 0.322
636 1HE LYS 78 2HE LYS 78 -21.315 0.190 -1.299
637 2HE LYS 78 1HE LYS 78 -22.328 -0.659 -0.114
638 1HZ LYS 78 1HZ LYS 78 -23.413 1.616 0.221
639 2HZ LYS 78 3HZ LYS 78 -22.706 2.039 -1.262
640 3HZ LYS 78 2HZ LYS 78 -23.815 0.754 -1.187
641 H THR 79 H THR 79 -17.515 -1.355 -1.740
642 HA THR 79 HA THR 79 -19.617 -2.811 -3.245
643 HB THR 79 HB THR 79 -17.250 -1.747 -4.649
644 HG1 THR 79 HG1 THR 79 -17.173 -0.185 -3.163
645 1HG2 THR 79 2HG2 THR 79 -20.032 -2.140 -5.070
646 2HG2 THR 79 1HG2 THR 79 -19.722 -0.411 -5.225
647 3HG2 THR 79 3HG2 THR 79 -18.835 -1.560 -6.228
648 H ARG 80 H ARG 80 -17.355 -3.950 -1.424
649 HA ARG 80 HA ARG 80 -16.008 -5.863 -1.401
650 1HB ARG 80 2HB ARG 80 -17.894 -6.229 -3.716
651 2HB ARG 80 1HB ARG 80 -16.648 -7.438 -3.409
652 1HG ARG 80 2HG ARG 80 -18.884 -7.873 -2.275
653 2HG ARG 80 1HG ARG 80 -17.484 -7.867 -1.203
654 1HD ARG 80 2HD ARG 80 -18.029 -5.766 -0.289
655 2HD ARG 80 1HD ARG 80 -19.060 -5.333 -1.668
656 HE ARG 80 HE ARG 80 -20.796 -6.349 -0.439
657 1HH1 ARG 80 2HH1 ARG 80 -17.816 -7.519 0.720
658 2HH1 ARG 80 1HH1 ARG 80 -18.476 -8.965 1.409
659 1HH2 ARG 80 1HH2 ARG 80 -21.663 -8.422 0.155
660 2HH2 ARG 80 2HH2 ARG 80 -20.654 -9.476 1.089
661 H GLY 81 H GLY 81 -14.618 -3.695 -2.305
662 1HA GLY 81 2HA GLY 81 -13.502 -3.616 -4.842
663 2HA GLY 81 1HA GLY 81 -12.561 -3.296 -3.384
664 H ARG 82 H ARG 82 -11.241 -4.960 -2.532
665 HA ARG 82 HA ARG 82 -11.288 -7.643 -3.723
666 1HB ARG 82 2HB ARG 82 -9.687 -5.444 -4.729
667 2HB ARG 82 1HB ARG 82 -8.659 -6.770 -4.183
668 1HG ARG 82 2HG ARG 82 -10.941 -7.802 -5.635
669 2HG ARG 82 1HG ARG 82 -10.072 -6.621 -6.616
670 1HD ARG 82 2HD ARG 82 -8.686 -8.374 -7.111
671 2HD ARG 82 1HD ARG 82 -8.006 -8.083 -5.496
672 HE ARG 82 HE ARG 82 -9.435 -9.842 -4.618
673 1HH1 ARG 82 2HH1 ARG 82 -11.795 -10.428 -5.573
674 2HH1 ARG 82 1HH1 ARG 82 -11.637 -11.448 -6.964
675 1HH2 ARG 82 1HH2 ARG 82 -8.293 -10.685 -7.474
676 2HH2 ARG 82 2HH2 ARG 82 -9.656 -11.594 -8.040
677 H LYS 83 H LYS 83 -8.817 -8.517 -3.060
678 HA LYS 83 HA LYS 83 -7.912 -7.632 -0.426
679 1HB LYS 83 2HB LYS 83 -9.962 -9.728 -0.807
680 2HB LYS 83 1HB LYS 83 -8.612 -10.224 0.215
681 1HG LYS 83 2HG LYS 83 -9.057 -7.762 1.233
682 2HG LYS 83 1HG LYS 83 -10.691 -8.154 0.696
683 1HD LYS 83 2HD LYS 83 -10.758 -10.135 2.034
684 2HD LYS 83 1HD LYS 83 -9.026 -10.058 2.355
685 1HE LYS 83 2HE LYS 83 -9.356 -7.945 3.617
686 2HE LYS 83 1HE LYS 83 -11.104 -8.062 3.329
687 1HZ LYS 83 1HZ LYS 83 -10.857 -10.417 4.243
688 2HZ LYS 83 3HZ LYS 83 -9.367 -9.900 4.862
689 3HZ LYS 83 2HZ LYS 83 -10.801 -9.139 5.360
690 H LEU 84 H LEU 84 -5.921 -7.644 -1.722
691 HA LEU 84 HA LEU 84 -4.476 -10.168 -1.649
692 1HB LEU 84 2HB LEU 84 -6.111 -10.274 -3.625
693 2HB LEU 84 1HB LEU 84 -5.164 -8.982 -4.355
694 HG LEU 84 HG LEU 84 -3.232 -10.348 -4.536
695 1HD1 LEU 84 2HD1 LEU 84 -4.670 -12.118 -2.559
696 2HD1 LEU 84 1HD1 LEU 84 -3.349 -12.743 -3.546
697 3HD1 LEU 84 3HD1 LEU 84 -3.060 -11.408 -2.429
698 1HD2 LEU 84 1HD2 LEU 84 -5.311 -10.913 -5.998
699 2HD2 LEU 84 3HD2 LEU 84 -3.965 -12.051 -5.982
700 3HD2 LEU 84 2HD2 LEU 84 -5.406 -12.376 -5.018
701 H LEU 85 H LEU 85 -2.299 -9.749 -3.037
702 HA LEU 85 HA LEU 85 -1.605 -6.905 -3.237
703 1HB LEU 85 2HB LEU 85 -0.627 -6.723 -1.201
704 2HB LEU 85 1HB LEU 85 -1.364 -8.266 -0.802
705 HG LEU 85 HG LEU 85 1.302 -8.159 -2.213
706 1HD1 LEU 85 2HD1 LEU 85 0.779 -7.039 0.323
707 2HD1 LEU 85 1HD1 LEU 85 1.536 -8.603 0.627
708 3HD1 LEU 85 3HD1 LEU 85 2.355 -7.408 -0.378
709 1HD2 LEU 85 1HD2 LEU 85 -0.473 -10.176 -1.161
710 2HD2 LEU 85 3HD2 LEU 85 1.039 -10.396 -2.043
711 3HD2 LEU 85 2HD2 LEU 85 1.057 -10.232 -0.287
712 H ARG 86 H ARG 86 0.835 -6.736 -3.877
713 HA ARG 86 HA ARG 86 1.733 -9.165 -5.364
714 1HB ARG 86 2HB ARG 86 1.592 -6.406 -6.598
715 2HB ARG 86 1HB ARG 86 1.830 -7.948 -7.418
716 1HG ARG 86 2HG ARG 86 -0.521 -8.492 -6.269
717 2HG ARG 86 1HG ARG 86 -0.680 -6.737 -6.349
718 1HD ARG 86 2HD ARG 86 -0.794 -6.718 -8.649
719 2HD ARG 86 1HD ARG 86 0.312 -8.097 -8.814
720 HE ARG 86 HE ARG 86 -1.977 -9.103 -7.534
721 1HH1 ARG 86 2HH1 ARG 86 -0.776 -9.760 -10.336
722 2HH1 ARG 86 1HH1 ARG 86 -2.188 -9.558 -11.319
723 1HH2 ARG 86 1HH2 ARG 86 -3.982 -7.886 -8.867
724 2HH2 ARG 86 2HH2 ARG 86 -4.002 -8.497 -10.487
725 H PHE 87 H PHE 87 3.916 -8.402 -6.555
726 HA PHE 87 HA PHE 87 5.583 -6.565 -4.927
727 1HB PHE 87 2HB PHE 87 6.226 -9.518 -5.214
728 2HB PHE 87 1HB PHE 87 7.090 -8.331 -4.236
729 HD1 PHE 87 HD2 PHE 87 5.880 -7.229 -2.280
730 HD2 PHE 87 HD1 PHE 87 4.319 -10.654 -4.361
731 HE1 PHE 87 HE2 PHE 87 4.347 -7.696 -0.382
732 HE2 PHE 87 HE1 PHE 87 2.789 -11.111 -2.459
733 HZ PHE 87 HZ PHE 87 2.817 -9.621 -0.484
734 H ASN 88 H ASN 88 5.149 -5.872 -7.432
735 HA ASN 88 HA ASN 88 7.642 -6.618 -8.843
736 1HB ASN 88 2HB ASN 88 5.069 -6.831 -10.355
737 2HB ASN 88 1HB ASN 88 6.635 -7.549 -10.717
738 1HD2 ASN 88 2HD2 ASN 88 3.986 -9.586 -8.421
739 2HD2 ASN 88 1HD2 ASN 88 3.603 -8.074 -9.090
740 H GLY 89 H GLY 89 6.826 -5.571 -11.364
741 1HA GLY 89 2HA GLY 89 6.640 -3.496 -12.473
742 2HA GLY 89 1HA GLY 89 5.738 -2.900 -11.065
743 HA PRO 90 HA PRO 90 10.186 -2.763 -9.498
744 1HB PRO 90 2HB PRO 90 12.199 -3.698 -11.111
745 2HB PRO 90 1HB PRO 90 11.312 -4.712 -9.955
746 1HG PRO 90 2HG PRO 90 10.926 -4.418 -12.897
747 2HG PRO 90 1HG PRO 90 10.874 -5.876 -11.893
748 1HD PRO 90 2HD PRO 90 8.636 -4.628 -12.763
749 2HD PRO 90 1HD PRO 90 8.710 -5.494 -11.212
750 H VAL 91 HN VAL 91 12.444 -1.657 -10.298
751 HA VAL 91 HA VAL 91 11.725 0.855 -11.487
752 HB VAL 91 HB VAL 91 14.209 1.163 -11.254
753 1HG1 VAL 91 3HG1 VAL 91 12.261 0.712 -9.254
754 2HG1 VAL 91 2HG1 VAL 91 13.734 -0.081 -8.700
755 3HG1 VAL 91 1HG1 VAL 91 13.755 1.636 -9.099
756 1HG2 VAL 91 2HG2 VAL 91 14.126 -1.686 -11.394
757 2HG2 VAL 91 1HG2 VAL 91 15.547 -0.648 -11.273
758 3HG2 VAL 91 3HG2 VAL 91 14.761 -1.241 -9.809
No H/Q in entry = 758
Start of MODEL 14
1 1H GLY 1 1H GLY 1 -7.839 8.244 -0.789
2 2H GLY 1 3H GLY 1 -8.983 8.649 0.396
3 3H GLY 1 2H GLY 1 -9.010 7.106 -0.318
4 1HA GLY 1 2HA GLY 1 -10.448 7.846 -1.807
5 2HA GLY 1 1HA GLY 1 -10.279 9.484 -1.173
6 H GLU 2 H GLU 2 -10.043 7.888 -3.973
7 HA GLU 2 HA GLU 2 -8.997 8.422 -6.024
8 1HB GLU 2 2HB GLU 2 -7.931 10.823 -4.518
9 2HB GLU 2 1HB GLU 2 -8.329 10.710 -6.233
10 1HG GLU 2 2HG GLU 2 -10.733 10.097 -5.290
11 2HG GLU 2 1HG GLU 2 -10.155 10.980 -3.876
12 H TRP 3 H TRP 3 -6.330 10.214 -5.265
13 HA TRP 3 HA TRP 3 -4.638 7.762 -4.913
14 1HB TRP 3 2HB TRP 3 -3.018 8.919 -6.337
15 2HB TRP 3 1HB TRP 3 -4.587 8.907 -7.145
16 HD1 TRP 3 HD1 TRP 3 -6.016 11.197 -7.086
17 HE1 TRP 3 HE1 TRP 3 -5.246 13.651 -6.905
18 HE3 TRP 3 HE3 TRP 3 -1.261 10.504 -5.356
19 HZ2 TRP 3 HZ2 TRP 3 -2.920 15.125 -6.128
20 HZ3 TRP 3 HZ3 TRP 3 0.208 12.448 -4.905
21 HH2 TRP 3 HH2 TRP 3 -0.615 14.755 -5.288
22 H GLU 4 H GLU 4 -2.425 8.368 -3.922
23 HA GLU 4 HA GLU 4 -2.008 10.768 -2.442
24 1HB GLU 4 2HB GLU 4 -3.932 10.325 -1.170
25 2HB GLU 4 1HB GLU 4 -3.649 8.585 -1.175
26 1HG GLU 4 2HG GLU 4 -2.407 8.695 0.704
27 2HG GLU 4 1HG GLU 4 -1.446 10.030 0.069
28 H ILE 5 H ILE 5 0.206 10.610 -2.394
29 HA ILE 5 HA ILE 5 1.564 8.033 -2.183
30 HB ILE 5 HB ILE 5 3.478 9.373 -2.667
31 1HG1 ILE 5 2HG1 ILE 5 1.830 11.790 -1.888
32 2HG1 ILE 5 1HG1 ILE 5 3.066 11.052 -0.869
33 1HG2 ILE 5 1HG2 ILE 5 1.397 9.322 -4.324
34 2HG2 ILE 5 3HG2 ILE 5 1.425 11.059 -4.017
35 3HG2 ILE 5 2HG2 ILE 5 2.842 10.260 -4.699
36 1HD1 ILE 5 2HD1 ILE 5 4.568 11.363 -3.031
37 2HD1 ILE 5 1HD1 ILE 5 3.385 12.618 -3.402
38 3HD1 ILE 5 3HD1 ILE 5 4.321 12.702 -1.909
39 H ILE 6 H ILE 6 3.648 8.269 -0.569
40 HA ILE 6 HA ILE 6 2.485 8.985 2.107
41 HB ILE 6 HB ILE 6 3.377 7.011 2.944
42 1HG1 ILE 6 2HG1 ILE 6 5.714 7.432 2.410
43 2HG1 ILE 6 1HG1 ILE 6 5.296 5.806 1.882
44 1HG2 ILE 6 1HG2 ILE 6 1.799 6.624 0.951
45 2HG2 ILE 6 3HG2 ILE 6 3.245 6.185 0.043
46 3HG2 ILE 6 2HG2 ILE 6 2.782 5.259 1.465
47 1HD1 ILE 6 3HD1 ILE 6 5.385 8.257 0.099
48 2HD1 ILE 6 2HD1 ILE 6 6.602 6.985 0.155
49 3HD1 ILE 6 1HD1 ILE 6 4.977 6.623 -0.415
50 H ASP 7 H ASP 7 4.831 8.810 3.639
51 HA ASP 7 HA ASP 7 6.665 10.810 2.378
52 1HB ASP 7 2HB ASP 7 5.057 10.948 4.914
53 2HB ASP 7 1HB ASP 7 6.569 11.847 4.787
54 H ILE 8 H ILE 8 7.390 8.153 2.572
55 HA ILE 8 HA ILE 8 8.905 6.633 3.576
56 HB ILE 8 HB ILE 8 10.207 8.474 2.447
57 1HG1 ILE 8 2HG1 ILE 8 11.615 7.500 4.939
58 2HG1 ILE 8 1HG1 ILE 8 11.207 6.412 3.613
59 1HG2 ILE 8 3HG2 ILE 8 10.051 9.594 5.240
60 2HG2 ILE 8 2HG2 ILE 8 11.414 9.984 4.193
61 3HG2 ILE 8 1HG2 ILE 8 9.775 10.413 3.703
62 1HD1 ILE 8 1HD1 ILE 8 12.758 8.976 3.197
63 2HD1 ILE 8 3HD1 ILE 8 13.543 7.429 3.518
64 3HD1 ILE 8 2HD1 ILE 8 12.562 7.636 2.067
65 H GLY 9 H GLY 9 6.873 7.354 5.361
66 1HA GLY 9 2HA GLY 9 8.354 7.116 7.928
67 2HA GLY 9 1HA GLY 9 7.177 8.420 7.795
68 HA PRO 10 HA PRO 10 3.950 5.717 8.862
69 1HB PRO 10 2HB PRO 10 1.928 6.326 7.122
70 2HB PRO 10 1HB PRO 10 2.446 7.405 8.431
71 1HG PRO 10 2HG PRO 10 3.033 7.537 5.527
72 2HG PRO 10 1HG PRO 10 2.785 8.844 6.693
73 1HD PRO 10 2HD PRO 10 5.241 8.015 5.757
74 2HD PRO 10 1HD PRO 10 4.987 8.895 7.277
75 H PHE 11 H PHE 11 2.974 5.672 5.471
76 HA PHE 11 HA PHE 11 2.368 3.025 5.165
77 1HB PHE 11 2HB PHE 11 3.614 5.084 3.384
78 2HB PHE 11 1HB PHE 11 3.380 3.450 2.763
79 HD1 PHE 11 HD2 PHE 11 1.098 2.448 2.681
80 HD2 PHE 11 HD1 PHE 11 1.745 6.543 3.805
81 HE1 PHE 11 HE2 PHE 11 -1.308 2.928 2.318
82 HE2 PHE 11 HE1 PHE 11 -0.660 7.023 3.442
83 HZ PHE 11 HZ PHE 11 -2.187 5.216 2.698
84 H THR 12 H THR 12 5.667 4.324 5.320
85 HA THR 12 HA THR 12 7.131 2.100 4.382
86 HB THR 12 HB THR 12 8.915 3.122 5.576
87 HG1 THR 12 HG1 THR 12 7.083 4.458 7.215
88 1HG2 THR 12 1HG2 THR 12 7.558 4.604 3.915
89 2HG2 THR 12 3HG2 THR 12 7.082 5.479 5.367
90 3HG2 THR 12 2HG2 THR 12 8.785 5.361 4.929
91 H GLN 13 H GLN 13 6.249 2.946 7.722
92 HA GLN 13 HA GLN 13 7.016 0.493 8.941
93 1HB GLN 13 2HB GLN 13 5.702 1.295 10.790
94 2HB GLN 13 1HB GLN 13 6.337 2.728 9.982
95 1HG GLN 13 2HG GLN 13 4.232 3.465 9.701
96 2HG GLN 13 1HG GLN 13 3.907 2.068 8.675
97 1HE2 GLN 13 2HE2 GLN 13 2.891 1.809 12.661
98 2HE2 GLN 13 1HE2 GLN 13 4.190 2.802 12.206
99 H ASN 14 H ASN 14 4.406 1.237 6.857
100 HA ASN 14 HA ASN 14 2.633 -0.933 7.673
101 1HB ASN 14 2HB ASN 14 2.661 1.362 5.935
102 2HB ASN 14 1HB ASN 14 2.076 -0.045 5.048
103 1HD2 ASN 14 2HD2 ASN 14 -1.041 -0.040 6.678
104 2HD2 ASN 14 1HD2 ASN 14 -0.085 -0.616 5.398
105 H LEU 15 H LEU 15 4.403 -0.300 4.677
106 HA LEU 15 HA LEU 15 4.151 -2.695 3.343
107 1HB LEU 15 2HB LEU 15 6.083 -2.028 2.176
108 2HB LEU 15 1HB LEU 15 5.531 -0.514 2.888
109 HG LEU 15 HG LEU 15 7.082 -1.288 4.900
110 1HD1 LEU 15 1HD1 LEU 15 7.807 -3.037 2.626
111 2HD1 LEU 15 3HD1 LEU 15 9.164 -2.264 3.445
112 3HD1 LEU 15 2HD1 LEU 15 8.048 -3.281 4.355
113 1HD2 LEU 15 1HD2 LEU 15 7.265 0.563 2.870
114 2HD2 LEU 15 3HD2 LEU 15 8.410 0.423 4.204
115 3HD2 LEU 15 2HD2 LEU 15 8.755 -0.358 2.661
116 H GLY 16 H GLY 16 6.068 -2.084 6.239
117 1HA GLY 16 2HA GLY 16 7.472 -4.624 6.181
118 2HA GLY 16 1HA GLY 16 7.340 -3.552 7.577
119 H LYS 17 H LYS 17 4.648 -3.391 7.998
120 HA LYS 17 HA LYS 17 4.027 -5.933 9.224
121 1HB LYS 17 2HB LYS 17 3.308 -3.274 9.472
122 2HB LYS 17 1HB LYS 17 1.843 -4.024 8.839
123 1HG LYS 17 2HG LYS 17 1.776 -4.132 11.264
124 2HG LYS 17 1HG LYS 17 2.025 -5.761 10.636
125 1HD LYS 17 2HD LYS 17 4.450 -5.551 11.031
126 2HD LYS 17 1HD LYS 17 4.207 -3.919 11.657
127 1HE LYS 17 2HE LYS 17 2.527 -5.065 13.311
128 2HE LYS 17 1HE LYS 17 3.409 -6.548 12.893
129 1HZ LYS 17 1HZ LYS 17 5.491 -5.213 13.286
130 2HZ LYS 17 3HZ LYS 17 4.510 -4.029 14.003
131 3HZ LYS 17 2HZ LYS 17 4.590 -5.588 14.676
132 H PHE 18 H PHE 18 2.049 -4.113 6.947
133 HA PHE 18 HA PHE 18 0.276 -6.002 6.054
134 1HB PHE 18 2HB PHE 18 1.637 -3.650 4.935
135 2HB PHE 18 1HB PHE 18 0.984 -4.744 3.715
136 HD1 PHE 18 HD2 PHE 18 -0.096 -3.504 7.096
137 HD2 PHE 18 HD1 PHE 18 -1.151 -4.190 2.989
138 HE1 PHE 18 HE2 PHE 18 -2.378 -2.640 7.538
139 HE2 PHE 18 HE1 PHE 18 -3.434 -3.326 3.432
140 HZ PHE 18 HZ PHE 18 -4.047 -2.550 5.706
141 H ALA 19 H ALA 19 3.311 -5.445 4.321
142 HA ALA 19 HA ALA 19 3.329 -7.577 2.566
143 1HB ALA 19 1HB ALA 19 5.071 -5.809 2.834
144 2HB ALA 19 3HB ALA 19 5.653 -6.635 4.279
145 3HB ALA 19 2HB ALA 19 5.774 -7.420 2.705
146 H VAL 20 H VAL 20 5.175 -7.861 5.612
147 HA VAL 20 HA VAL 20 5.541 -10.570 5.781
148 HB VAL 20 HB VAL 20 4.787 -8.493 7.831
149 1HG1 VAL 20 1HG1 VAL 20 4.851 -11.405 8.170
150 2HG1 VAL 20 3HG1 VAL 20 5.958 -10.562 9.254
151 3HG1 VAL 20 2HG1 VAL 20 4.239 -10.163 9.262
152 1HG2 VAL 20 2HG2 VAL 20 7.295 -9.860 6.878
153 2HG2 VAL 20 1HG2 VAL 20 6.964 -8.134 7.020
154 3HG2 VAL 20 3HG2 VAL 20 7.243 -9.101 8.469
155 H ASP 21 H ASP 21 2.436 -8.931 6.106
156 HA ASP 21 HA ASP 21 1.118 -11.449 6.979
157 1HB ASP 21 2HB ASP 21 -0.002 -8.679 6.434
158 2HB ASP 21 1HB ASP 21 -0.800 -9.979 7.321
159 H GLU 22 H GLU 22 0.155 -8.985 4.535
160 HA GLU 22 HA GLU 22 -1.317 -10.855 2.973
161 1HB GLU 22 2HB GLU 22 0.100 -8.432 1.846
162 2HB GLU 22 1HB GLU 22 -1.468 -9.091 1.381
163 1HG GLU 22 2HG GLU 22 -1.596 -8.517 4.165
164 2HG GLU 22 1HG GLU 22 -0.900 -7.105 3.370
165 H GLU 23 H GLU 23 2.085 -10.175 3.119
166 HA GLU 23 HA GLU 23 2.771 -11.563 0.645
167 1HB GLU 23 2HB GLU 23 4.071 -9.782 2.102
168 2HB GLU 23 1HB GLU 23 4.626 -11.203 2.986
169 1HG GLU 23 2HG GLU 23 5.001 -12.016 0.403
170 2HG GLU 23 1HG GLU 23 5.323 -10.287 0.267
171 H ASN 24 H ASN 24 3.271 -12.413 4.116
172 HA ASN 24 HA ASN 24 3.889 -15.158 3.621
173 1HB ASN 24 2HB ASN 24 2.651 -13.611 5.904
174 2HB ASN 24 1HB ASN 24 2.857 -15.355 6.016
175 1HD2 ASN 24 2HD2 ASN 24 6.356 -13.235 5.549
176 2HD2 ASN 24 1HD2 ASN 24 5.011 -12.816 4.606
177 H LYS 25 H LYS 25 0.796 -13.490 4.219
178 HA LYS 25 HA LYS 25 -0.937 -15.722 4.090
179 1HB LYS 25 2HB LYS 25 -1.317 -13.202 4.615
180 2HB LYS 25 1HB LYS 25 -1.553 -13.039 2.875
181 1HG LYS 25 2HG LYS 25 -3.727 -13.501 3.461
182 2HG LYS 25 1HG LYS 25 -3.145 -15.160 3.311
183 1HD LYS 25 2HD LYS 25 -2.459 -14.289 5.923
184 2HD LYS 25 1HD LYS 25 -4.137 -13.819 5.654
185 1HE LYS 25 2HE LYS 25 -3.655 -16.492 4.617
186 2HE LYS 25 1HE LYS 25 -3.232 -16.388 6.337
187 1HZ LYS 25 2HZ LYS 25 -5.357 -15.158 6.659
188 2HZ LYS 25 1HZ LYS 25 -5.777 -15.549 5.060
189 3HZ LYS 25 3HZ LYS 25 -5.564 -16.782 6.204
190 H ILE 26 H ILE 26 0.050 -13.556 1.456
191 HA ILE 26 HA ILE 26 -1.218 -15.049 -0.635
192 HB ILE 26 HB ILE 26 -0.198 -12.629 -0.543
193 1HG1 ILE 26 2HG1 ILE 26 0.089 -12.684 -3.034
194 2HG1 ILE 26 1HG1 ILE 26 -0.012 -14.442 -2.958
195 1HG2 ILE 26 3HG2 ILE 26 2.177 -14.124 -0.454
196 2HG2 ILE 26 2HG2 ILE 26 2.083 -13.510 -2.100
197 3HG2 ILE 26 1HG2 ILE 26 2.027 -12.395 -0.741
198 1HD1 ILE 26 3HD1 ILE 26 -2.199 -13.465 -1.452
199 2HD1 ILE 26 2HD1 ILE 26 -2.158 -12.514 -2.937
200 3HD1 ILE 26 1HD1 ILE 26 -2.255 -14.273 -3.018
201 H GLY 27 H GLY 27 1.541 -15.762 1.229
202 1HA GLY 27 2HA GLY 27 2.426 -18.077 0.991
203 2HA GLY 27 1HA GLY 27 2.312 -17.867 -0.757
204 H GLN 28 H GLN 28 3.776 -16.064 1.972
205 HA GLN 28 HA GLN 28 6.437 -16.286 0.731
206 1HB GLN 28 2HB GLN 28 4.667 -14.177 0.075
207 2HB GLN 28 1HB GLN 28 5.873 -13.483 1.159
208 1HG GLN 28 2HG GLN 28 6.385 -14.996 -1.416
209 2HG GLN 28 1HG GLN 28 6.730 -13.296 -1.091
210 1HE2 GLN 28 2HE2 GLN 28 9.666 -15.795 -0.410
211 2HE2 GLN 28 1HE2 GLN 28 8.442 -15.953 -1.575
212 H TYR 29 H TYR 29 6.641 -17.306 2.925
213 HA TYR 29 HA TYR 29 6.669 -15.347 5.180
214 1HB TYR 29 2HB TYR 29 6.647 -17.368 6.563
215 2HB TYR 29 1HB TYR 29 5.385 -17.492 5.339
216 HD1 TYR 29 HD2 TYR 29 8.684 -18.719 6.422
217 HD2 TYR 29 HD1 TYR 29 5.595 -19.032 3.454
218 HE1 TYR 29 HE2 TYR 29 9.706 -20.815 5.580
219 HE2 TYR 29 HE1 TYR 29 6.616 -21.130 2.612
220 HH TYR 29 HH TYR 29 8.861 -22.889 4.309
221 H GLY 30 H GLY 30 8.748 -15.576 3.000
222 1HA GLY 30 2HA GLY 30 11.089 -16.884 3.618
223 2HA GLY 30 1HA GLY 30 11.087 -15.227 3.013
224 H ARG 31 H ARG 31 10.149 -13.723 5.038
225 HA ARG 31 HA ARG 31 10.927 -14.346 7.690
226 1HB ARG 31 2HB ARG 31 13.083 -13.956 5.796
227 2HB ARG 31 1HB ARG 31 13.161 -12.735 7.068
228 1HG ARG 31 2HG ARG 31 13.366 -14.339 8.772
229 2HG ARG 31 1HG ARG 31 12.710 -15.629 7.765
230 1HD ARG 31 2HD ARG 31 14.755 -16.124 6.893
231 2HD ARG 31 1HD ARG 31 15.157 -14.410 6.662
232 HE ARG 31 HE ARG 31 15.534 -15.936 9.190
233 1HH1 ARG 31 2HH1 ARG 31 15.289 -12.860 7.713
234 2HH1 ARG 31 1HH1 ARG 31 16.575 -12.154 8.632
235 1HH2 ARG 31 1HH2 ARG 31 17.416 -15.116 10.227
236 2HH2 ARG 31 2HH2 ARG 31 17.780 -13.431 10.055
237 H LEU 32 H LEU 32 11.922 -11.548 5.689
238 HA LEU 32 HA LEU 32 9.878 -9.895 7.128
239 1HB LEU 32 2HB LEU 32 11.683 -8.164 7.336
240 2HB LEU 32 1HB LEU 32 12.043 -9.642 8.227
241 HG LEU 32 HG LEU 32 12.967 -9.692 5.437
242 1HD1 LEU 32 1HD1 LEU 32 13.538 -7.381 7.136
243 2HD1 LEU 32 3HD1 LEU 32 15.003 -8.229 6.642
244 3HD1 LEU 32 2HD1 LEU 32 13.881 -7.624 5.423
245 1HD2 LEU 32 3HD2 LEU 32 13.567 -10.851 7.973
246 2HD2 LEU 32 2HD2 LEU 32 14.277 -11.247 6.407
247 3HD2 LEU 32 1HD2 LEU 32 15.015 -10.007 7.421
248 H THR 33 H THR 33 9.490 -7.791 5.966
249 HA THR 33 HA THR 33 10.156 -7.923 3.049
250 HB THR 33 HB THR 33 7.532 -6.856 3.444
251 HG1 THR 33 HG1 THR 33 6.834 -9.123 4.254
252 1HG2 THR 33 3HG2 THR 33 8.380 -8.030 1.437
253 2HG2 THR 33 2HG2 THR 33 8.440 -9.534 2.355
254 3HG2 THR 33 1HG2 THR 33 6.890 -8.760 2.033
255 H PHE 34 H PHE 34 11.647 -6.269 4.595
256 HA PHE 34 HA PHE 34 11.023 -3.628 3.598
257 1HB PHE 34 2HB PHE 34 10.333 -2.582 5.653
258 2HB PHE 34 1HB PHE 34 9.341 -4.028 5.471
259 HD1 PHE 34 HD1 PHE 34 10.313 -6.222 6.561
260 HD2 PHE 34 HD2 PHE 34 11.486 -2.237 7.656
261 HE1 PHE 34 HE1 PHE 34 11.135 -7.063 8.744
262 HE2 PHE 34 HE2 PHE 34 12.311 -3.080 9.838
263 HZ PHE 34 HZ PHE 34 12.135 -5.493 10.382
264 H ASN 35 H ASN 35 13.353 -4.831 3.222
265 HA ASN 35 HA ASN 35 15.249 -4.271 5.416
266 1HB ASN 35 2HB ASN 35 15.016 -6.022 3.188
267 2HB ASN 35 1HB ASN 35 16.458 -5.039 2.923
268 1HD2 ASN 35 2HD2 ASN 35 18.264 -7.075 5.145
269 2HD2 ASN 35 1HD2 ASN 35 18.210 -6.256 3.660
270 H LYS 36 H LYS 36 15.032 -3.325 1.940
271 HA LYS 36 HA LYS 36 17.042 -1.274 2.202
272 1HB LYS 36 2HB LYS 36 16.412 -2.482 0.123
273 2HB LYS 36 1HB LYS 36 14.864 -1.641 0.128
274 1HG LYS 36 2HG LYS 36 16.447 -0.495 -1.360
275 2HG LYS 36 1HG LYS 36 16.054 0.529 0.021
276 1HD LYS 36 2HD LYS 36 18.244 0.659 0.514
277 2HD LYS 36 1HD LYS 36 18.256 -1.082 0.799
278 1HE LYS 36 2HE LYS 36 19.538 -1.359 -1.043
279 2HE LYS 36 1HE LYS 36 18.251 -0.648 -2.038
280 1HZ LYS 36 2HZ LYS 36 20.027 1.033 -0.372
281 2HZ LYS 36 1HZ LYS 36 20.469 0.586 -1.950
282 3HZ LYS 36 3HZ LYS 36 19.062 1.497 -1.691
283 H VAL 37 H VAL 37 14.296 0.073 0.641
284 HA VAL 37 HA VAL 37 13.308 1.504 3.029
285 HB VAL 37 HB VAL 37 15.209 2.606 0.976
286 1HG1 VAL 37 3HG1 VAL 37 13.237 4.092 0.909
287 2HG1 VAL 37 2HG1 VAL 37 13.295 4.248 2.665
288 3HG1 VAL 37 1HG1 VAL 37 14.607 4.892 1.679
289 1HG2 VAL 37 1HG2 VAL 37 14.988 2.405 3.951
290 2HG2 VAL 37 3HG2 VAL 37 16.379 2.111 2.907
291 3HG2 VAL 37 2HG2 VAL 37 15.884 3.765 3.272
292 H ILE 38 H ILE 38 11.741 3.314 2.286
293 HA ILE 38 HA ILE 38 10.316 2.476 -0.211
294 HB ILE 38 HB ILE 38 8.888 1.803 1.491
295 1HG1 ILE 38 2HG1 ILE 38 7.938 3.756 0.015
296 2HG1 ILE 38 1HG1 ILE 38 7.018 3.197 1.407
297 1HG2 ILE 38 2HG2 ILE 38 10.352 2.633 3.322
298 2HG2 ILE 38 1HG2 ILE 38 9.653 4.239 3.121
299 3HG2 ILE 38 3HG2 ILE 38 8.642 2.895 3.644
300 1HD1 ILE 38 2HD1 ILE 38 8.825 5.223 2.316
301 2HD1 ILE 38 1HD1 ILE 38 8.013 5.825 0.875
302 3HD1 ILE 38 3HD1 ILE 38 7.066 5.278 2.255
303 H ARG 39 H ARG 39 10.451 4.032 -1.714
304 HA ARG 39 HA ARG 39 10.433 6.890 -0.816
305 1HB ARG 39 2HB ARG 39 12.354 5.369 -2.297
306 2HB ARG 39 1HB ARG 39 11.662 6.579 -3.378
307 1HG ARG 39 2HG ARG 39 12.318 8.371 -1.990
308 2HG ARG 39 1HG ARG 39 12.562 7.317 -0.596
309 1HD ARG 39 2HD ARG 39 14.747 7.148 -1.164
310 2HD ARG 39 1HD ARG 39 14.262 6.359 -2.677
311 HE ARG 39 HE ARG 39 13.869 8.798 -3.503
312 1HH1 ARG 39 2HH1 ARG 39 15.154 9.431 -0.644
313 2HH1 ARG 39 1HH1 ARG 39 16.684 10.039 -1.181
314 1HH2 ARG 39 1HH2 ARG 39 16.297 8.898 -4.432
315 2HH2 ARG 39 2HH2 ARG 39 17.331 9.738 -3.326
316 HA PRO 40 HA PRO 40 7.873 6.755 -4.732
317 1HB PRO 40 2HB PRO 40 7.957 4.608 -6.423
318 2HB PRO 40 1HB PRO 40 9.132 5.934 -6.482
319 1HG PRO 40 2HG PRO 40 9.484 3.186 -5.565
320 2HG PRO 40 1HG PRO 40 10.695 4.381 -6.034
321 1HD PRO 40 2HD PRO 40 9.904 3.601 -3.388
322 2HD PRO 40 1HD PRO 40 11.149 4.769 -3.869
323 H CYS 41 H CYS 41 7.017 5.716 -2.314
324 HA CYS 41 HA CYS 41 5.232 3.417 -2.875
325 1HB CYS 41 2HB CYS 41 6.310 3.342 -0.770
326 2HB CYS 41 1HB CYS 41 6.038 5.057 -0.471
327 HG CYS 41 HG CYS 41 4.210 3.901 0.908
328 H MET 42 H MET 42 3.121 3.723 -3.470
329 HA MET 42 HA MET 42 1.927 6.446 -3.060
330 1HB MET 42 2HB MET 42 2.098 4.556 -5.363
331 2HB MET 42 1HB MET 42 0.614 5.496 -5.201
332 1HG MET 42 2HG MET 42 2.115 7.553 -4.941
333 2HG MET 42 1HG MET 42 3.442 6.528 -5.485
334 1HE MET 42 1HE MET 42 3.410 5.157 -7.691
335 2HE MET 42 3HE MET 42 3.194 6.209 -9.096
336 3HE MET 42 2HE MET 42 4.195 6.733 -7.744
337 H LYS 43 H LYS 43 -0.468 6.408 -2.908
338 HA LYS 43 HA LYS 43 -1.681 3.801 -2.136
339 1HB LYS 43 2HB LYS 43 -0.686 4.896 -0.116
340 2HB LYS 43 1HB LYS 43 -1.695 6.311 -0.422
341 1HG LYS 43 2HG LYS 43 -3.224 3.815 -0.427
342 2HG LYS 43 1HG LYS 43 -2.423 4.119 1.114
343 1HD LYS 43 2HD LYS 43 -3.820 5.822 1.612
344 2HD LYS 43 1HD LYS 43 -3.632 6.537 0.010
345 1HE LYS 43 2HE LYS 43 -5.759 5.860 -0.414
346 2HE LYS 43 1HE LYS 43 -5.139 4.197 -0.418
347 1HZ LYS 43 3HZ LYS 43 -5.302 4.274 2.059
348 2HZ LYS 43 2HZ LYS 43 -6.144 5.742 1.910
349 3HZ LYS 43 1HZ LYS 43 -6.799 4.314 1.262
350 H LYS 44 H LYS 44 -3.488 3.742 -3.445
351 HA LYS 44 HA LYS 44 -5.011 6.308 -3.797
352 1HB LYS 44 2HB LYS 44 -4.392 4.041 -5.715
353 2HB LYS 44 1HB LYS 44 -5.562 5.313 -6.069
354 1HG LYS 44 2HG LYS 44 -3.945 6.886 -6.413
355 2HG LYS 44 1HG LYS 44 -2.920 6.255 -5.123
356 1HD LYS 44 2HD LYS 44 -1.670 5.125 -6.612
357 2HD LYS 44 1HD LYS 44 -3.103 4.307 -7.238
358 1HE LYS 44 2HE LYS 44 -2.321 5.485 -9.130
359 2HE LYS 44 1HE LYS 44 -3.531 6.602 -8.468
360 1HZ LYS 44 1HZ LYS 44 -0.765 6.679 -7.465
361 2HZ LYS 44 3HZ LYS 44 -1.138 7.457 -8.924
362 3HZ LYS 44 2HZ LYS 44 -1.930 7.915 -7.493
363 H THR 45 H THR 45 -7.321 6.071 -3.876
364 HA THR 45 HA THR 45 -8.438 3.372 -3.315
365 HB THR 45 HB THR 45 -8.417 5.790 -1.510
366 HG1 THR 45 HG1 THR 45 -8.336 3.173 -0.611
367 1HG2 THR 45 1HG2 THR 45 -10.644 3.956 -1.991
368 2HG2 THR 45 3HG2 THR 45 -10.134 3.978 -0.306
369 3HG2 THR 45 2HG2 THR 45 -10.621 5.475 -1.103
370 H ILE 46 H ILE 46 -10.705 3.249 -3.764
371 HA ILE 46 HA ILE 46 -11.873 5.646 -5.147
372 HB ILE 46 HB ILE 46 -11.200 3.829 -6.697
373 1HG1 ILE 46 2HG1 ILE 46 -13.837 3.177 -7.176
374 2HG1 ILE 46 1HG1 ILE 46 -13.986 4.662 -6.236
375 1HG2 ILE 46 2HG2 ILE 46 -12.219 2.215 -4.534
376 2HG2 ILE 46 1HG2 ILE 46 -13.058 1.798 -6.028
377 3HG2 ILE 46 3HG2 ILE 46 -11.298 1.706 -5.949
378 1HD1 ILE 46 2HD1 ILE 46 -11.880 4.765 -8.288
379 2HD1 ILE 46 1HD1 ILE 46 -13.507 4.569 -8.943
380 3HD1 ILE 46 3HD1 ILE 46 -13.135 5.943 -7.901
381 H TYR 47 H TYR 47 -12.037 5.075 -2.416
382 HA TYR 47 HA TYR 47 -14.477 3.613 -1.794
383 1HB TYR 47 2HB TYR 47 -13.777 3.966 0.429
384 2HB TYR 47 1HB TYR 47 -12.272 3.865 -0.480
385 HD1 TYR 47 HD2 TYR 47 -12.689 6.705 -1.804
386 HD2 TYR 47 HD1 TYR 47 -12.788 5.261 2.242
387 HE1 TYR 47 HE2 TYR 47 -12.058 8.955 -0.986
388 HE2 TYR 47 HE1 TYR 47 -12.155 7.514 3.059
389 HH TYR 47 HH TYR 47 -12.386 10.254 1.255
390 H GLU 48 H GLU 48 -15.072 5.552 0.347
391 HA GLU 48 HA GLU 48 -17.267 6.913 -0.844
392 1HB GLU 48 2HB GLU 48 -17.692 7.472 1.367
393 2HB GLU 48 1HB GLU 48 -16.573 6.135 1.578
394 1HG GLU 48 2HG GLU 48 -14.730 7.982 1.528
395 2HG GLU 48 1HG GLU 48 -16.062 9.075 1.906
396 H ASN 49 H ASN 49 -17.323 9.394 0.239
397 HA ASN 49 HA ASN 49 -15.008 11.012 -0.592
398 1HB ASN 49 2HB ASN 49 -16.612 12.236 -2.228
399 2HB ASN 49 1HB ASN 49 -15.965 10.681 -2.750
400 1HD2 ASN 49 2HD2 ASN 49 -19.955 11.103 -2.164
401 2HD2 ASN 49 1HD2 ASN 49 -18.885 12.400 -1.928
402 H GLU 50 H GLU 50 -18.482 10.963 0.101
403 HA GLU 50 HA GLU 50 -18.128 13.368 1.852
404 1HB GLU 50 2HB GLU 50 -19.606 13.295 -0.308
405 2HB GLU 50 1HB GLU 50 -20.737 12.400 0.709
406 1HG GLU 50 2HG GLU 50 -19.581 14.906 1.838
407 2HG GLU 50 1HG GLU 50 -20.786 15.076 0.560
408 H ARG 51 H ARG 51 -19.672 10.132 1.624
409 HA ARG 51 HA ARG 51 -19.515 9.803 4.516
410 1HB ARG 51 2HB ARG 51 -21.512 11.445 3.699
411 2HB ARG 51 1HB ARG 51 -22.349 9.892 3.654
412 1HG ARG 51 2HG ARG 51 -22.063 9.520 5.943
413 2HG ARG 51 1HG ARG 51 -20.680 10.609 6.048
414 1HD ARG 51 2HD ARG 51 -22.805 11.543 7.069
415 2HD ARG 51 1HD ARG 51 -22.134 12.555 5.776
416 HE ARG 51 HE ARG 51 -23.814 10.774 4.454
417 1HH1 ARG 51 1HH2 ARG 51 -25.424 10.849 6.999
418 2HH1 ARG 51 2HH2 ARG 51 -26.500 12.173 6.698
419 1HH2 ARG 51 2HH1 ARG 51 -24.632 13.438 4.065
420 2HH2 ARG 51 1HH1 ARG 51 -26.052 13.639 5.037
421 H GLU 52 H GLU 52 -19.282 8.320 1.751
422 HA GLU 52 HA GLU 52 -20.854 5.887 2.554
423 1HB GLU 52 2HB GLU 52 -20.970 5.402 0.179
424 2HB GLU 52 1HB GLU 52 -21.495 7.065 0.438
425 1HG GLU 52 2HG GLU 52 -18.978 7.650 0.031
426 2HG GLU 52 1HG GLU 52 -18.916 6.060 -0.729
427 H ILE 53 H ILE 53 -19.331 4.499 0.401
428 HA ILE 53 HA ILE 53 -16.515 4.410 1.097
429 HB ILE 53 HB ILE 53 -17.860 3.478 3.120
430 1HG1 ILE 53 2HG1 ILE 53 -16.164 1.580 3.356
431 2HG1 ILE 53 1HG1 ILE 53 -15.611 2.002 1.734
432 1HG2 ILE 53 2HG2 ILE 53 -19.198 2.023 1.344
433 2HG2 ILE 53 1HG2 ILE 53 -17.856 0.906 1.588
434 3HG2 ILE 53 3HG2 ILE 53 -18.857 1.393 2.955
435 1HD1 ILE 53 2HD1 ILE 53 -15.794 4.008 3.996
436 2HD1 ILE 53 1HD1 ILE 53 -14.323 3.112 3.615
437 3HD1 ILE 53 3HD1 ILE 53 -15.010 4.224 2.431
438 H LYS 54 H LYS 54 -15.388 2.733 -0.216
439 HA LYS 54 HA LYS 54 -17.131 1.124 -2.001
440 1HB LYS 54 2HB LYS 54 -16.037 3.678 -2.701
441 2HB LYS 54 1HB LYS 54 -15.355 2.422 -3.737
442 1HG LYS 54 2HG LYS 54 -17.421 1.803 -4.594
443 2HG LYS 54 1HG LYS 54 -18.296 2.404 -3.186
444 1HD LYS 54 2HD LYS 54 -18.438 4.519 -4.019
445 2HD LYS 54 1HD LYS 54 -16.804 4.468 -4.682
446 1HE LYS 54 2HE LYS 54 -17.610 3.061 -6.560
447 2HE LYS 54 1HE LYS 54 -19.257 3.154 -5.906
448 1HZ LYS 54 1HZ LYS 54 -18.718 5.690 -5.856
449 2HZ LYS 54 3HZ LYS 54 -17.598 5.285 -7.064
450 3HZ LYS 54 2HZ LYS 54 -19.250 4.962 -7.295
451 H GLY 55 H GLY 55 -13.663 2.168 -2.403
452 1HA GLY 55 2HA GLY 55 -12.876 -0.616 -1.745
453 2HA GLY 55 1HA GLY 55 -12.563 -0.071 -3.391
454 H TYR 56 H TYR 56 -10.361 -0.782 -2.087
455 HA TYR 56 HA TYR 56 -8.943 1.783 -1.701
456 1HB TYR 56 2HB TYR 56 -9.690 1.434 0.524
457 2HB TYR 56 1HB TYR 56 -9.430 -0.306 0.426
458 HD1 TYR 56 HD2 TYR 56 -6.942 2.004 -0.972
459 HD2 TYR 56 HD1 TYR 56 -8.062 -0.296 2.479
460 HE1 TYR 56 HE2 TYR 56 -4.663 2.293 -0.041
461 HE2 TYR 56 HE1 TYR 56 -5.781 -0.009 3.409
462 HH TYR 56 HH TYR 56 -3.446 0.448 2.442
463 H GLU 57 H GLU 57 -7.445 1.328 -3.327
464 HA GLU 57 HA GLU 57 -6.061 -1.320 -3.249
465 1HB GLU 57 2HB GLU 57 -5.418 -0.713 -5.563
466 2HB GLU 57 1HB GLU 57 -7.165 -0.586 -5.349
467 1HG GLU 57 2HG GLU 57 -7.159 1.703 -5.513
468 2HG GLU 57 1HG GLU 57 -5.571 1.857 -4.759
469 H TYR 58 H TYR 58 -3.693 -1.323 -3.248
470 HA TYR 58 HA TYR 58 -2.488 1.315 -2.434
471 1HB TYR 58 2HB TYR 58 -2.873 -0.183 -0.543
472 2HB TYR 58 1HB TYR 58 -1.995 -1.471 -1.364
473 HD1 TYR 58 HD2 TYR 58 -1.130 2.155 -1.282
474 HD2 TYR 58 HD1 TYR 58 -0.115 -1.802 0.047
475 HE1 TYR 58 HE2 TYR 58 0.966 3.026 -0.291
476 HE2 TYR 58 HE1 TYR 58 1.979 -0.929 1.038
477 HH TYR 58 HH TYR 58 2.568 2.401 1.454
478 H GLN 59 H GLN 59 -0.371 1.721 -3.076
479 HA GLN 59 HA GLN 59 0.989 -0.306 -4.798
480 1HB GLN 59 2HB GLN 59 0.330 2.604 -5.335
481 2HB GLN 59 1HB GLN 59 1.621 1.777 -6.207
482 1HG GLN 59 2HG GLN 59 0.155 0.353 -7.309
483 2HG GLN 59 1HG GLN 59 -1.070 0.470 -6.044
484 1HE2 GLN 59 2HE2 GLN 59 -0.840 3.491 -8.835
485 2HE2 GLN 59 1HE2 GLN 59 0.542 2.560 -8.509
486 H LEU 60 H LEU 60 2.794 -0.722 -3.547
487 HA LEU 60 HA LEU 60 4.171 1.584 -2.221
488 1HB LEU 60 2HB LEU 60 3.284 -0.007 -0.648
489 2HB LEU 60 1HB LEU 60 3.891 -1.366 -1.583
490 HG LEU 60 HG LEU 60 6.165 0.167 -1.084
491 1HD1 LEU 60 1HD1 LEU 60 4.378 0.061 1.367
492 2HD1 LEU 60 3HD1 LEU 60 6.097 0.457 1.395
493 3HD1 LEU 60 2HD1 LEU 60 4.963 1.516 0.562
494 1HD2 LEU 60 3HD2 LEU 60 5.046 -2.208 0.442
495 2HD2 LEU 60 2HD2 LEU 60 5.999 -2.290 -1.039
496 3HD2 LEU 60 1HD2 LEU 60 6.734 -1.699 0.450
497 H TYR 61 H TYR 61 5.165 1.757 -4.545
498 HA TYR 61 HA TYR 61 6.993 -0.339 -5.368
499 1HB TYR 61 2HB TYR 61 6.092 1.062 -7.027
500 2HB TYR 61 1HB TYR 61 6.400 2.518 -6.089
501 HD1 TYR 61 HD2 TYR 61 8.955 -0.102 -6.258
502 HD2 TYR 61 HD1 TYR 61 7.574 3.570 -8.008
503 HE1 TYR 61 HE2 TYR 61 11.136 0.173 -7.405
504 HE2 TYR 61 HE1 TYR 61 9.753 3.843 -9.156
505 HH TYR 61 HH TYR 61 11.654 2.700 -9.786
506 H VAL 62 H VAL 62 8.664 -0.810 -4.002
507 HA VAL 62 HA VAL 62 10.618 1.293 -3.291
508 HB VAL 62 HB VAL 62 10.348 0.798 -0.875
509 1HG1 VAL 62 1HG1 VAL 62 9.002 2.623 -2.055
510 2HG1 VAL 62 3HG1 VAL 62 7.646 1.494 -2.046
511 3HG1 VAL 62 2HG1 VAL 62 8.341 2.048 -0.526
512 1HG2 VAL 62 3HG2 VAL 62 8.041 -0.901 -1.862
513 2HG2 VAL 62 2HG2 VAL 62 9.507 -1.478 -1.069
514 3HG2 VAL 62 1HG2 VAL 62 8.344 -0.507 -0.169
515 H TYR 63 H TYR 63 11.906 -0.220 -1.298
516 HA TYR 63 HA TYR 63 12.451 -2.837 -2.651
517 1HB TYR 63 2HB TYR 63 14.038 -0.939 -3.267
518 2HB TYR 63 1HB TYR 63 14.573 -0.958 -1.586
519 HD1 TYR 63 HD2 TYR 63 15.039 -3.469 -0.666
520 HD2 TYR 63 HD1 TYR 63 15.275 -2.210 -4.765
521 HE1 TYR 63 HE2 TYR 63 16.541 -5.377 -1.167
522 HE2 TYR 63 HE1 TYR 63 16.775 -4.118 -5.267
523 HH TYR 63 HH TYR 63 17.310 -6.680 -2.994
524 H ALA 64 H ALA 64 12.908 -4.511 -1.219
525 HA ALA 64 HA ALA 64 13.262 -3.834 1.670
526 1HB ALA 64 2HB ALA 64 11.320 -5.805 0.424
527 2HB ALA 64 1HB ALA 64 11.581 -5.610 2.157
528 3HB ALA 64 3HB ALA 64 10.894 -4.289 1.217
529 H SER 65 H SER 65 12.689 -7.090 1.387
530 HA SER 65 HA SER 65 15.607 -7.691 1.272
531 1HB SER 65 2HB SER 65 14.339 -8.426 3.235
532 2HB SER 65 1HB SER 65 13.161 -9.233 2.205
533 HG SER 65 HG SER 65 15.932 -9.835 2.198
534 H ASP 66 H ASP 66 12.547 -8.292 -0.321
535 HA ASP 66 HA ASP 66 13.965 -9.505 -2.631
536 1HB ASP 66 2HB ASP 66 11.832 -10.790 -0.909
537 2HB ASP 66 1HB ASP 66 12.125 -11.320 -2.566
538 H LYS 67 H LYS 67 12.234 -7.084 -1.710
539 HA LYS 67 HA LYS 67 10.058 -7.260 -3.766
540 1HB LYS 67 2HB LYS 67 9.275 -6.812 -1.560
541 2HB LYS 67 1HB LYS 67 10.562 -5.642 -1.274
542 1HG LYS 67 2HG LYS 67 9.289 -4.651 -3.538
543 2HG LYS 67 1HG LYS 67 7.963 -5.256 -2.548
544 1HD LYS 67 2HD LYS 67 10.094 -3.265 -1.734
545 2HD LYS 67 1HD LYS 67 8.361 -2.973 -1.885
546 1HE LYS 67 2HE LYS 67 7.879 -4.405 0.004
547 2HE LYS 67 1HE LYS 67 9.562 -4.955 0.079
548 1HZ LYS 67 1HZ LYS 67 10.166 -2.539 0.301
549 2HZ LYS 67 3HZ LYS 67 8.522 -2.225 0.573
550 3HZ LYS 67 2HZ LYS 67 9.384 -3.221 1.645
551 H LEU 68 H LEU 68 11.783 -6.811 -5.407
552 HA LEU 68 HA LEU 68 13.051 -4.143 -5.401
553 1HB LEU 68 2HB LEU 68 12.907 -6.447 -7.378
554 2HB LEU 68 1HB LEU 68 13.873 -4.993 -7.634
555 HG LEU 68 HG LEU 68 14.796 -5.592 -5.214
556 1HD1 LEU 68 2HD1 LEU 68 13.353 -8.007 -6.125
557 2HD1 LEU 68 1HD1 LEU 68 14.993 -8.295 -5.542
558 3HD1 LEU 68 3HD1 LEU 68 13.808 -7.515 -4.493
559 1HD2 LEU 68 1HD2 LEU 68 15.544 -6.668 -7.916
560 2HD2 LEU 68 3HD2 LEU 68 16.385 -5.481 -6.920
561 3HD2 LEU 68 2HD2 LEU 68 16.455 -7.192 -6.500
562 H PHE 69 H PHE 69 10.413 -3.566 -5.232
563 HA PHE 69 HA PHE 69 9.797 -2.022 -7.491
564 1HB PHE 69 2HB PHE 69 7.990 -3.665 -8.443
565 2HB PHE 69 1HB PHE 69 9.657 -3.870 -8.901
566 HD1 PHE 69 HD2 PHE 69 7.962 -4.767 -5.684
567 HD2 PHE 69 HD1 PHE 69 9.969 -6.168 -9.214
568 HE1 PHE 69 HE2 PHE 69 7.984 -7.063 -4.761
569 HE2 PHE 69 HE1 PHE 69 9.989 -8.468 -8.289
570 HZ PHE 69 HZ PHE 69 8.996 -8.915 -6.062
571 H ARG 70 H ARG 70 6.837 -3.469 -7.163
572 HA ARG 70 HA ARG 70 6.274 -1.900 -4.674
573 1HB ARG 70 2HB ARG 70 5.544 -0.669 -6.590
574 2HB ARG 70 1HB ARG 70 4.808 -2.103 -7.302
575 1HG ARG 70 2HG ARG 70 3.626 -1.820 -4.736
576 2HG ARG 70 1HG ARG 70 3.629 -0.208 -5.448
577 1HD ARG 70 2HD ARG 70 2.638 -2.688 -6.900
578 2HD ARG 70 1HD ARG 70 1.584 -1.538 -6.055
579 HE ARG 70 HE ARG 70 2.816 0.214 -7.583
580 1HH1 ARG 70 2HH1 ARG 70 1.354 -2.779 -8.329
581 2HH1 ARG 70 1HH1 ARG 70 1.540 -2.612 -10.042
582 1HH2 ARG 70 1HH2 ARG 70 3.363 0.329 -9.826
583 2HH2 ARG 70 2HH2 ARG 70 2.677 -0.853 -10.891
584 H ALA 71 H ALA 71 4.815 -2.680 -3.263
585 HA ALA 71 HA ALA 71 3.595 -5.366 -3.790
586 1HB ALA 71 2HB ALA 71 5.334 -5.108 -1.935
587 2HB ALA 71 1HB ALA 71 4.220 -3.993 -1.144
588 3HB ALA 71 3HB ALA 71 3.762 -5.681 -1.378
589 H ASP 72 H ASP 72 1.457 -4.911 -4.383
590 HA ASP 72 HA ASP 72 0.194 -2.462 -3.242
591 1HB ASP 72 2HB ASP 72 -0.215 -2.407 -5.489
592 2HB ASP 72 1HB ASP 72 -0.011 -4.141 -5.667
593 H ILE 73 H ILE 73 -2.200 -2.721 -2.710
594 HA ILE 73 HA ILE 73 -3.007 -5.374 -1.717
595 HB ILE 73 HB ILE 73 -1.534 -3.831 -0.051
596 1HG1 ILE 73 2HG1 ILE 73 -2.618 -5.059 1.812
597 2HG1 ILE 73 1HG1 ILE 73 -3.943 -5.495 0.734
598 1HG2 ILE 73 1HG2 ILE 73 -3.333 -2.018 -0.188
599 2HG2 ILE 73 3HG2 ILE 73 -4.368 -3.114 0.721
600 3HG2 ILE 73 2HG2 ILE 73 -2.868 -2.522 1.431
601 1HD1 ILE 73 3HD1 ILE 73 -1.725 -6.231 -0.722
602 2HD1 ILE 73 2HD1 ILE 73 -1.242 -6.627 0.925
603 3HD1 ILE 73 1HD1 ILE 73 -2.709 -7.329 0.242
604 H SER 74 H SER 74 -5.014 -5.497 -2.594
605 HA SER 74 HA SER 74 -6.634 -3.017 -2.861
606 1HB SER 74 2HB SER 74 -6.209 -4.613 -4.767
607 2HB SER 74 1HB SER 74 -7.104 -5.842 -3.877
608 HG SER 74 HG SER 74 -8.297 -3.344 -4.213
609 H GLU 75 H GLU 75 -8.809 -2.943 -1.954
610 HA GLU 75 HA GLU 75 -9.571 -5.197 -0.155
611 1HB GLU 75 2HB GLU 75 -8.396 -2.643 0.619
612 2HB GLU 75 1HB GLU 75 -9.946 -2.926 1.415
613 1HG GLU 75 2HG GLU 75 -9.149 -4.680 2.635
614 2HG GLU 75 1HG GLU 75 -8.138 -5.267 1.314
615 H ASP 76 H ASP 76 -11.613 -5.619 -0.909
616 HA ASP 76 HA ASP 76 -13.432 -3.860 -2.157
617 1HB ASP 76 2HB ASP 76 -14.838 -5.704 -1.996
618 2HB ASP 76 1HB ASP 76 -13.311 -6.478 -1.590
619 H TYR 77 H TYR 77 -15.387 -2.776 -1.307
620 HA TYR 77 HA TYR 77 -15.544 -2.407 1.643
621 1HB TYR 77 2HB TYR 77 -14.170 -0.616 -0.016
622 2HB TYR 77 1HB TYR 77 -15.747 0.138 0.217
623 HD1 TYR 77 HD2 TYR 77 -16.211 -1.254 2.982
624 HD2 TYR 77 HD1 TYR 77 -12.977 1.042 1.331
625 HE1 TYR 77 HE2 TYR 77 -15.540 -0.556 5.265
626 HE2 TYR 77 HE1 TYR 77 -12.307 1.740 3.614
627 HH TYR 77 HH TYR 77 -14.161 1.650 6.181
628 H LYS 78 H LYS 78 -16.853 -0.735 -1.232
629 HA LYS 78 HA LYS 78 -19.587 -1.694 -0.447
630 1HB LYS 78 2HB LYS 78 -18.856 0.795 -0.072
631 2HB LYS 78 1HB LYS 78 -19.036 0.929 -1.821
632 1HG LYS 78 2HG LYS 78 -21.359 -0.069 -1.542
633 2HG LYS 78 1HG LYS 78 -21.154 0.152 0.196
634 1HD LYS 78 2HD LYS 78 -20.739 2.572 -0.179
635 2HD LYS 78 1HD LYS 78 -21.022 2.336 -1.904
636 1HE LYS 78 2HE LYS 78 -23.035 1.816 0.317
637 2HE LYS 78 1HE LYS 78 -23.094 3.137 -0.867
638 1HZ LYS 78 1HZ LYS 78 -22.933 1.334 -2.609
639 2HZ LYS 78 3HZ LYS 78 -23.288 0.225 -1.376
640 3HZ LYS 78 2HZ LYS 78 -24.412 1.433 -1.777
641 H THR 79 H THR 79 -17.374 -0.685 -3.025
642 HA THR 79 HA THR 79 -19.158 -1.479 -5.202
643 HB THR 79 HB THR 79 -17.477 0.227 -5.565
644 HG1 THR 79 HG1 THR 79 -16.084 -1.011 -7.129
645 1HG2 THR 79 1HG2 THR 79 -15.849 -1.621 -4.000
646 2HG2 THR 79 3HG2 THR 79 -15.003 -1.037 -5.432
647 3HG2 THR 79 2HG2 THR 79 -15.642 0.111 -4.256
648 H ARG 80 H ARG 80 -17.484 -3.157 -2.878
649 HA ARG 80 HA ARG 80 -17.128 -5.443 -2.593
650 1HB ARG 80 2HB ARG 80 -17.983 -5.764 -5.478
651 2HB ARG 80 1HB ARG 80 -18.127 -6.932 -4.169
652 1HG ARG 80 2HG ARG 80 -19.724 -4.404 -4.594
653 2HG ARG 80 1HG ARG 80 -20.313 -6.054 -4.409
654 1HD ARG 80 2HD ARG 80 -18.893 -4.499 -2.216
655 2HD ARG 80 1HD ARG 80 -20.652 -4.705 -2.331
656 HE ARG 80 HE ARG 80 -18.983 -7.159 -2.395
657 1HH1 ARG 80 2HH1 ARG 80 -20.580 -4.912 -0.376
658 2HH1 ARG 80 1HH1 ARG 80 -21.282 -6.113 0.655
659 1HH2 ARG 80 1HH2 ARG 80 -20.133 -8.785 -1.233
660 2HH2 ARG 80 2HH2 ARG 80 -21.029 -8.306 0.170
661 H GLY 81 H GLY 81 -14.945 -3.814 -3.225
662 1HA GLY 81 2HA GLY 81 -13.381 -4.792 -5.434
663 2HA GLY 81 1HA GLY 81 -12.724 -3.990 -3.999
664 H ARG 82 H ARG 82 -11.177 -5.394 -3.121
665 HA ARG 82 HA ARG 82 -12.078 -7.898 -2.013
666 1HB ARG 82 2HB ARG 82 -11.120 -9.434 -3.534
667 2HB ARG 82 1HB ARG 82 -11.970 -8.258 -4.535
668 1HG ARG 82 2HG ARG 82 -10.049 -7.830 -5.621
669 2HG ARG 82 1HG ARG 82 -9.353 -7.239 -4.112
670 1HD ARG 82 2HD ARG 82 -8.055 -9.143 -5.196
671 2HD ARG 82 1HD ARG 82 -8.574 -9.474 -3.531
672 HE ARG 82 HE ARG 82 -10.333 -10.315 -5.786
673 1HH1 ARG 82 2HH1 ARG 82 -11.383 -11.324 -3.406
674 2HH1 ARG 82 1HH1 ARG 82 -10.565 -12.823 -3.115
675 1HH2 ARG 82 1HH2 ARG 82 -7.947 -12.118 -5.275
676 2HH2 ARG 82 2HH2 ARG 82 -8.621 -13.272 -4.174
677 H LYS 83 H LYS 83 -10.105 -9.259 -1.278
678 HA LYS 83 HA LYS 83 -8.004 -7.383 -0.276
679 1HB LYS 83 2HB LYS 83 -9.648 -9.164 1.001
680 2HB LYS 83 1HB LYS 83 -8.217 -10.162 0.739
681 1HG LYS 83 2HG LYS 83 -6.856 -8.225 1.696
682 2HG LYS 83 1HG LYS 83 -8.393 -7.526 2.209
683 1HD LYS 83 2HD LYS 83 -8.900 -9.505 3.537
684 2HD LYS 83 1HD LYS 83 -7.439 -10.305 2.956
685 1HE LYS 83 2HE LYS 83 -6.037 -9.005 4.272
686 2HE LYS 83 1HE LYS 83 -7.154 -7.625 4.276
687 1HZ LYS 83 1HZ LYS 83 -8.714 -9.331 5.444
688 2HZ LYS 83 3HZ LYS 83 -7.262 -10.103 5.856
689 3HZ LYS 83 2HZ LYS 83 -7.539 -8.501 6.349
690 H LEU 84 H LEU 84 -5.989 -7.563 -1.233
691 HA LEU 84 HA LEU 84 -4.859 -10.133 -1.987
692 1HB LEU 84 2HB LEU 84 -6.709 -9.150 -3.738
693 2HB LEU 84 1HB LEU 84 -5.235 -8.425 -4.381
694 HG LEU 84 HG LEU 84 -4.176 -10.704 -4.333
695 1HD1 LEU 84 2HD1 LEU 84 -6.981 -11.424 -3.478
696 2HD1 LEU 84 1HD1 LEU 84 -5.933 -12.597 -4.275
697 3HD1 LEU 84 3HD1 LEU 84 -5.453 -11.893 -2.731
698 1HD2 LEU 84 1HD2 LEU 84 -6.154 -9.652 -6.123
699 2HD2 LEU 84 3HD2 LEU 84 -4.784 -10.696 -6.502
700 3HD2 LEU 84 2HD2 LEU 84 -6.337 -11.405 -6.057
701 H LEU 85 H LEU 85 -2.944 -9.407 -3.768
702 HA LEU 85 HA LEU 85 -1.813 -6.791 -3.287
703 1HB LEU 85 2HB LEU 85 -0.423 -7.219 -1.500
704 2HB LEU 85 1HB LEU 85 -1.668 -8.404 -1.132
705 HG LEU 85 HG LEU 85 0.991 -8.864 -2.502
706 1HD1 LEU 85 2HD1 LEU 85 -0.313 -9.750 0.079
707 2HD1 LEU 85 1HD1 LEU 85 1.094 -10.577 -0.587
708 3HD1 LEU 85 3HD1 LEU 85 1.206 -8.877 -0.129
709 1HD2 LEU 85 3HD2 LEU 85 -1.343 -10.174 -3.199
710 2HD2 LEU 85 2HD2 LEU 85 0.273 -10.851 -3.353
711 3HD2 LEU 85 1HD2 LEU 85 -0.702 -11.210 -1.929
712 H ARG 86 H ARG 86 0.712 -6.944 -3.899
713 HA ARG 86 HA ARG 86 1.468 -9.128 -5.663
714 1HB ARG 86 2HB ARG 86 1.379 -7.559 -7.726
715 2HB ARG 86 1HB ARG 86 -0.135 -8.264 -7.163
716 1HG ARG 86 2HG ARG 86 -0.513 -6.169 -5.812
717 2HG ARG 86 1HG ARG 86 0.895 -5.473 -6.615
718 1HD ARG 86 2HD ARG 86 -1.711 -6.355 -7.890
719 2HD ARG 86 1HD ARG 86 -0.970 -4.743 -7.921
720 HE ARG 86 HE ARG 86 0.759 -5.617 -9.405
721 1HH1 ARG 86 1HH2 ARG 86 -2.227 -6.975 -9.756
722 2HH1 ARG 86 2HH2 ARG 86 -1.698 -8.435 -10.524
723 1HH2 ARG 86 2HH1 ARG 86 1.662 -7.866 -9.889
724 2HH2 ARG 86 1HH1 ARG 86 0.504 -8.939 -10.600
725 H PHE 87 H PHE 87 3.611 -9.135 -5.152
726 HA PHE 87 HA PHE 87 5.093 -6.600 -4.712
727 1HB PHE 87 2HB PHE 87 6.170 -9.423 -4.691
728 2HB PHE 87 1HB PHE 87 6.745 -8.029 -3.780
729 HD1 PHE 87 HD2 PHE 87 5.592 -7.266 -1.766
730 HD2 PHE 87 HD1 PHE 87 4.188 -10.668 -3.983
731 HE1 PHE 87 HE2 PHE 87 4.151 -7.925 0.142
732 HE2 PHE 87 HE1 PHE 87 2.750 -11.325 -2.069
733 HZ PHE 87 HZ PHE 87 2.747 -9.937 -0.007
734 H ASN 88 H ASN 88 5.057 -5.840 -7.029
735 HA ASN 88 HA ASN 88 7.305 -7.014 -8.497
736 1HB ASN 88 2HB ASN 88 5.616 -7.189 -10.552
737 2HB ASN 88 1HB ASN 88 5.929 -8.540 -9.465
738 1HD2 ASN 88 2HD2 ASN 88 2.410 -6.456 -8.892
739 2HD2 ASN 88 1HD2 ASN 88 3.793 -5.613 -9.400
740 H GLY 89 H GLY 89 7.050 -6.006 -10.924
741 1HA GLY 89 2HA GLY 89 6.818 -3.975 -12.197
742 2HA GLY 89 1HA GLY 89 6.354 -3.128 -10.706
743 HA PRO 90 HA PRO 90 10.956 -4.299 -10.037
744 1HB PRO 90 2HB PRO 90 12.312 -5.195 -12.251
745 2HB PRO 90 1HB PRO 90 11.525 -6.256 -11.062
746 1HG PRO 90 2HG PRO 90 10.475 -5.265 -13.688
747 2HG PRO 90 1HG PRO 90 10.441 -6.907 -13.014
748 1HD PRO 90 2HD PRO 90 8.276 -5.366 -12.890
749 2HD PRO 90 1HD PRO 90 8.733 -6.396 -11.510
750 H VAL 91 HN VAL 91 12.059 -2.429 -9.894
751 HA VAL 91 HA VAL 91 11.769 -0.264 -11.781
752 HB VAL 91 HB VAL 91 12.113 0.148 -9.434
753 1HG1 VAL 91 2HG1 VAL 91 14.394 -1.762 -9.821
754 2HG1 VAL 91 1HG1 VAL 91 14.504 -0.550 -8.544
755 3HG1 VAL 91 3HG1 VAL 91 13.180 -1.716 -8.541
756 1HG2 VAL 91 2HG2 VAL 91 13.408 1.540 -11.247
757 2HG2 VAL 91 1HG2 VAL 91 13.792 1.775 -9.541
758 3HG2 VAL 91 3HG2 VAL 91 14.835 0.774 -10.549
No H/Q in entry = 758
Start of MODEL 15
1 1H GLY 1 1H GLY 1 -12.302 9.302 -8.782
2 2H GLY 1 3H GLY 1 -11.097 8.532 -9.693
3 3H GLY 1 2H GLY 1 -12.545 7.717 -9.343
4 1HA GLY 1 2HA GLY 1 -12.016 7.691 -6.997
5 2HA GLY 1 1HA GLY 1 -10.740 6.920 -7.941
6 H GLU 2 H GLU 2 -9.750 7.663 -5.663
7 HA GLU 2 HA GLU 2 -8.538 10.380 -6.079
8 1HB GLU 2 2HB GLU 2 -10.134 9.885 -4.107
9 2HB GLU 2 1HB GLU 2 -8.821 8.905 -3.456
10 1HG GLU 2 2HG GLU 2 -8.593 11.097 -2.496
11 2HG GLU 2 1HG GLU 2 -7.320 10.932 -3.706
12 H TRP 3 H TRP 3 -6.276 10.553 -5.250
13 HA TRP 3 HA TRP 3 -4.801 8.018 -4.855
14 1HB TRP 3 2HB TRP 3 -3.442 8.325 -6.831
15 2HB TRP 3 1HB TRP 3 -5.128 8.431 -7.336
16 HD1 TRP 3 HD1 TRP 3 -1.971 10.485 -6.953
17 HE1 TRP 3 HE1 TRP 3 -2.334 12.806 -8.015
18 HE3 TRP 3 HE3 TRP 3 -6.989 10.259 -7.870
19 HZ2 TRP 3 HZ2 TRP 3 -4.472 14.362 -9.109
20 HZ3 TRP 3 HZ3 TRP 3 -8.162 12.172 -8.923
21 HH2 TRP 3 HH2 TRP 3 -6.911 14.221 -9.542
22 H GLU 4 H GLU 4 -2.786 8.379 -3.828
23 HA GLU 4 HA GLU 4 -1.728 11.123 -3.561
24 1HB GLU 4 2HB GLU 4 -2.947 9.535 -1.281
25 2HB GLU 4 1HB GLU 4 -1.959 10.978 -1.050
26 1HG GLU 4 2HG GLU 4 -3.581 12.176 -2.612
27 2HG GLU 4 1HG GLU 4 -4.630 10.768 -2.447
28 H ILE 5 H ILE 5 0.088 10.878 -1.645
29 HA ILE 5 HA ILE 5 1.576 8.344 -2.241
30 HB ILE 5 HB ILE 5 2.808 9.952 -3.352
31 1HG1 ILE 5 2HG1 ILE 5 3.814 10.160 -0.505
32 2HG1 ILE 5 1HG1 ILE 5 4.321 8.981 -1.716
33 1HG2 ILE 5 3HG2 ILE 5 2.035 11.918 -1.181
34 2HG2 ILE 5 2HG2 ILE 5 3.067 12.302 -2.558
35 3HG2 ILE 5 1HG2 ILE 5 1.380 11.859 -2.818
36 1HD1 ILE 5 1HD1 ILE 5 4.723 11.358 -3.038
37 2HD1 ILE 5 3HD1 ILE 5 5.135 11.789 -1.378
38 3HD1 ILE 5 2HD1 ILE 5 5.977 10.463 -2.179
39 H ILE 6 H ILE 6 3.313 7.976 -0.524
40 HA ILE 6 HA ILE 6 1.994 7.971 2.107
41 HB ILE 6 HB ILE 6 3.662 6.433 2.685
42 1HG1 ILE 6 2HG1 ILE 6 5.571 7.938 2.249
43 2HG1 ILE 6 1HG1 ILE 6 5.873 6.329 1.625
44 1HG2 ILE 6 2HG2 ILE 6 2.270 5.787 0.652
45 2HG2 ILE 6 1HG2 ILE 6 3.680 6.187 -0.321
46 3HG2 ILE 6 3HG2 ILE 6 3.775 4.894 0.867
47 1HD1 ILE 6 3HD1 ILE 6 4.992 7.212 -0.617
48 2HD1 ILE 6 2HD1 ILE 6 5.131 8.819 0.092
49 3HD1 ILE 6 1HD1 ILE 6 6.566 7.813 -0.100
50 H ASP 7 H ASP 7 4.123 8.231 3.875
51 HA ASP 7 HA ASP 7 5.315 10.916 3.437
52 1HB ASP 7 2HB ASP 7 2.931 10.880 4.542
53 2HB ASP 7 1HB ASP 7 3.807 10.340 5.975
54 H ILE 8 H ILE 8 6.679 8.486 3.520
55 HA ILE 8 HA ILE 8 8.316 7.237 4.687
56 HB ILE 8 HB ILE 8 9.266 9.498 4.085
57 1HG1 ILE 8 2HG1 ILE 8 10.560 8.843 6.668
58 2HG1 ILE 8 1HG1 ILE 8 10.354 7.486 5.561
59 1HG2 ILE 8 3HG2 ILE 8 8.273 10.076 6.871
60 2HG2 ILE 8 2HG2 ILE 8 9.661 10.945 6.216
61 3HG2 ILE 8 1HG2 ILE 8 8.097 11.046 5.408
62 1HD1 ILE 8 3HD1 ILE 8 11.362 8.970 3.751
63 2HD1 ILE 8 2HD1 ILE 8 11.799 10.093 5.039
64 3HD1 ILE 8 1HD1 ILE 8 12.473 8.462 5.023
65 H GLY 9 H GLY 9 5.820 7.227 6.022
66 1HA GLY 9 2HA GLY 9 6.790 6.901 8.811
67 2HA GLY 9 1HA GLY 9 5.404 7.958 8.562
68 HA PRO 10 HA PRO 10 2.801 4.466 8.512
69 1HB PRO 10 2HB PRO 10 0.985 4.988 6.535
70 2HB PRO 10 1HB PRO 10 1.058 5.891 8.059
71 1HG PRO 10 2HG PRO 10 1.859 6.711 5.362
72 2HG PRO 10 1HG PRO 10 1.426 7.697 6.762
73 1HD PRO 10 2HD PRO 10 4.032 7.124 5.775
74 2HD PRO 10 1HD PRO 10 3.606 8.040 7.234
75 H PHE 11 H PHE 11 2.583 4.926 4.984
76 HA PHE 11 HA PHE 11 2.491 2.317 4.151
77 1HB PHE 11 2HB PHE 11 4.010 4.669 3.009
78 2HB PHE 11 1HB PHE 11 3.748 3.174 2.111
79 HD1 PHE 11 HD2 PHE 11 2.106 6.117 3.625
80 HD2 PHE 11 HD1 PHE 11 1.542 2.539 1.317
81 HE1 PHE 11 HE2 PHE 11 -0.174 6.872 3.016
82 HE2 PHE 11 HE1 PHE 11 -0.740 3.295 0.707
83 HZ PHE 11 HZ PHE 11 -1.597 5.461 1.557
84 H THR 12 H THR 12 5.417 4.014 5.242
85 HA THR 12 HA THR 12 7.344 2.043 4.521
86 HB THR 12 HB THR 12 8.724 3.296 6.001
87 HG1 THR 12 HG1 THR 12 6.520 4.406 7.309
88 1HG2 THR 12 1HG2 THR 12 7.207 4.613 4.186
89 2HG2 THR 12 3HG2 THR 12 6.778 5.492 5.651
90 3HG2 THR 12 2HG2 THR 12 8.464 5.395 5.142
91 H GLN 13 H GLN 13 5.846 2.700 7.686
92 HA GLN 13 HA GLN 13 6.639 0.198 8.878
93 1HB GLN 13 2HB GLN 13 6.081 2.216 10.157
94 2HB GLN 13 1HB GLN 13 4.435 2.183 9.522
95 1HG GLN 13 2HG GLN 13 4.005 0.055 10.633
96 2HG GLN 13 1HG GLN 13 5.678 -0.026 11.186
97 1HE2 GLN 13 2HE2 GLN 13 2.998 2.067 13.339
98 2HE2 GLN 13 1HE2 GLN 13 2.549 1.086 12.028
99 H ASN 14 H ASN 14 4.190 1.037 6.659
100 HA ASN 14 HA ASN 14 2.296 -1.073 7.342
101 1HB ASN 14 2HB ASN 14 2.676 0.623 4.863
102 2HB ASN 14 1HB ASN 14 1.237 -0.325 5.238
103 1HD2 ASN 14 2HD2 ASN 14 0.509 3.110 6.425
104 2HD2 ASN 14 1HD2 ASN 14 0.741 2.345 4.926
105 H LEU 15 H LEU 15 4.408 -0.520 4.558
106 HA LEU 15 HA LEU 15 4.221 -2.914 3.192
107 1HB LEU 15 2HB LEU 15 5.659 -1.278 2.309
108 2HB LEU 15 1HB LEU 15 6.483 -1.037 3.847
109 HG LEU 15 HG LEU 15 7.731 -2.318 1.954
110 1HD1 LEU 15 3HD1 LEU 15 8.038 -2.230 4.632
111 2HD1 LEU 15 2HD1 LEU 15 7.743 -3.956 4.432
112 3HD1 LEU 15 1HD1 LEU 15 9.083 -3.187 3.583
113 1HD2 LEU 15 2HD2 LEU 15 5.483 -3.892 2.007
114 2HD2 LEU 15 1HD2 LEU 15 7.048 -4.413 1.383
115 3HD2 LEU 15 3HD2 LEU 15 6.582 -4.812 3.035
116 H GLY 16 H GLY 16 6.394 -2.296 5.977
117 1HA GLY 16 2HA GLY 16 7.488 -4.876 6.232
118 2HA GLY 16 1HA GLY 16 7.203 -3.800 7.602
119 H LYS 17 H LYS 17 4.585 -3.628 7.926
120 HA LYS 17 HA LYS 17 3.777 -6.181 8.970
121 1HB LYS 17 2HB LYS 17 2.949 -3.427 8.940
122 2HB LYS 17 1HB LYS 17 1.551 -4.462 8.648
123 1HG LYS 17 2HG LYS 17 1.483 -4.852 10.866
124 2HG LYS 17 1HG LYS 17 2.990 -5.751 10.683
125 1HD LYS 17 2HD LYS 17 4.314 -3.891 11.274
126 2HD LYS 17 1HD LYS 17 3.005 -2.750 10.967
127 1HE LYS 17 2HE LYS 17 3.520 -3.279 13.445
128 2HE LYS 17 1HE LYS 17 1.824 -3.431 12.945
129 1HZ LYS 17 1HZ LYS 17 3.586 -5.741 12.574
130 2HZ LYS 17 3HZ LYS 17 3.058 -5.402 14.150
131 3HZ LYS 17 2HZ LYS 17 1.924 -5.694 12.920
132 H PHE 18 H PHE 18 1.805 -4.306 6.769
133 HA PHE 18 HA PHE 18 0.133 -6.117 5.656
134 1HB PHE 18 2HB PHE 18 1.795 -4.051 4.198
135 2HB PHE 18 1HB PHE 18 0.325 -4.774 3.551
136 HD1 PHE 18 HD1 PHE 18 -0.485 -4.802 6.827
137 HD2 PHE 18 HD2 PHE 18 0.324 -1.915 3.748
138 HE1 PHE 18 HE1 PHE 18 -1.847 -3.124 8.042
139 HE2 PHE 18 HE2 PHE 18 -1.038 -0.238 4.967
140 HZ PHE 18 HZ PHE 18 -2.123 -0.842 7.113
141 H ALA 19 H ALA 19 3.215 -5.518 4.036
142 HA ALA 19 HA ALA 19 3.275 -7.548 2.186
143 1HB ALA 19 3HB ALA 19 5.014 -5.792 2.673
144 2HB ALA 19 2HB ALA 19 5.580 -6.794 4.008
145 3HB ALA 19 1HB ALA 19 5.691 -7.387 2.350
146 H VAL 20 H VAL 20 5.011 -8.040 5.278
147 HA VAL 20 HA VAL 20 5.338 -10.770 5.244
148 HB VAL 20 HB VAL 20 4.596 -8.828 7.427
149 1HG1 VAL 20 2HG1 VAL 20 4.973 -11.810 7.621
150 2HG1 VAL 20 1HG1 VAL 20 5.447 -10.766 8.961
151 3HG1 VAL 20 3HG1 VAL 20 3.770 -10.795 8.416
152 1HG2 VAL 20 2HG2 VAL 20 6.861 -8.921 6.182
153 2HG2 VAL 20 1HG2 VAL 20 6.906 -8.912 7.945
154 3HG2 VAL 20 3HG2 VAL 20 7.134 -10.423 7.065
155 H ASP 21 H ASP 21 2.272 -9.088 5.644
156 HA ASP 21 HA ASP 21 0.866 -11.617 6.305
157 1HB ASP 21 2HB ASP 21 0.520 -9.114 7.174
158 2HB ASP 21 1HB ASP 21 -0.498 -9.010 5.737
159 H GLU 22 H GLU 22 0.069 -9.015 3.952
160 HA GLU 22 HA GLU 22 -1.382 -10.704 2.206
161 1HB GLU 22 2HB GLU 22 -0.914 -8.905 0.532
162 2HB GLU 22 1HB GLU 22 -1.400 -8.252 2.097
163 1HG GLU 22 2HG GLU 22 1.324 -8.473 2.403
164 2HG GLU 22 1HG GLU 22 1.183 -8.039 0.698
165 H GLU 23 H GLU 23 2.051 -10.241 2.562
166 HA GLU 23 HA GLU 23 2.791 -11.572 0.084
167 1HB GLU 23 2HB GLU 23 4.127 -9.951 1.626
168 2HB GLU 23 1HB GLU 23 4.464 -11.385 2.596
169 1HG GLU 23 2HG GLU 23 5.006 -12.272 0.046
170 2HG GLU 23 1HG GLU 23 5.552 -10.597 -0.020
171 H ASN 24 H ASN 24 3.070 -12.631 3.529
172 HA ASN 24 HA ASN 24 3.488 -15.385 2.861
173 1HB ASN 24 2HB ASN 24 3.421 -15.682 5.161
174 2HB ASN 24 1HB ASN 24 3.622 -13.934 5.118
175 1HD2 ASN 24 2HD2 ASN 24 0.710 -13.559 7.041
176 2HD2 ASN 24 1HD2 ASN 24 2.325 -13.117 6.762
177 H LYS 25 H LYS 25 0.569 -13.468 3.407
178 HA LYS 25 HA LYS 25 -1.345 -15.572 3.251
179 1HB LYS 25 2HB LYS 25 -1.555 -13.077 3.887
180 2HB LYS 25 1HB LYS 25 -1.697 -12.787 2.153
181 1HG LYS 25 2HG LYS 25 -3.935 -13.012 2.923
182 2HG LYS 25 1HG LYS 25 -3.553 -14.562 2.174
183 1HD LYS 25 2HD LYS 25 -4.590 -15.080 4.269
184 2HD LYS 25 1HD LYS 25 -2.864 -15.368 4.493
185 1HE LYS 25 2HE LYS 25 -2.876 -13.899 6.215
186 2HE LYS 25 1HE LYS 25 -3.358 -12.614 5.089
187 1HZ LYS 25 2HZ LYS 25 -5.325 -14.596 6.046
188 2HZ LYS 25 1HZ LYS 25 -4.963 -13.227 6.985
189 3HZ LYS 25 3HZ LYS 25 -5.597 -13.039 5.424
190 H ILE 26 H ILE 26 -0.055 -13.463 0.705
191 HA ILE 26 HA ILE 26 -1.470 -14.714 -1.452
192 HB ILE 26 HB ILE 26 -0.183 -12.444 -1.278
193 1HG1 ILE 26 2HG1 ILE 26 -1.382 -12.965 -3.268
194 2HG1 ILE 26 1HG1 ILE 26 0.245 -12.523 -3.786
195 1HG2 ILE 26 1HG2 ILE 26 2.019 -14.390 -1.889
196 2HG2 ILE 26 3HG2 ILE 26 2.052 -12.788 -2.615
197 3HG2 ILE 26 2HG2 ILE 26 2.038 -12.959 -0.867
198 1HD1 ILE 26 1HD1 ILE 26 0.746 -15.072 -3.605
199 2HD1 ILE 26 3HD1 ILE 26 -1.007 -15.258 -3.644
200 3HD1 ILE 26 2HD1 ILE 26 -0.172 -14.493 -4.996
201 H GLY 27 H GLY 27 1.590 -15.461 0.084
202 1HA GLY 27 2HA GLY 27 1.909 -18.067 -0.184
203 2HA GLY 27 1HA GLY 27 2.048 -17.644 -1.890
204 H GLN 28 H GLN 28 3.298 -15.882 0.929
205 HA GLN 28 HA GLN 28 6.084 -16.627 0.223
206 1HB GLN 28 2HB GLN 28 4.709 -14.068 -0.343
207 2HB GLN 28 1HB GLN 28 6.278 -13.896 0.444
208 1HG GLN 28 2HG GLN 28 6.257 -15.882 -1.725
209 2HG GLN 28 1HG GLN 28 5.909 -14.238 -2.262
210 1HE2 GLN 28 2HE2 GLN 28 9.336 -13.468 -2.197
211 2HE2 GLN 28 1HE2 GLN 28 7.846 -13.352 -3.002
212 H TYR 29 H TYR 29 5.710 -17.625 2.394
213 HA TYR 29 HA TYR 29 5.260 -15.874 4.695
214 1HB TYR 29 2HB TYR 29 5.525 -18.023 5.912
215 2HB TYR 29 1HB TYR 29 4.396 -18.167 4.564
216 HD1 TYR 29 HD2 TYR 29 7.987 -18.675 5.478
217 HD2 TYR 29 HD1 TYR 29 4.751 -19.762 2.871
218 HE1 TYR 29 HE2 TYR 29 9.383 -20.475 4.497
219 HE2 TYR 29 HE1 TYR 29 6.147 -21.561 1.888
220 HH TYR 29 HH TYR 29 8.480 -22.145 1.636
221 H GLY 30 H GLY 30 7.795 -15.797 2.842
222 1HA GLY 30 2HA GLY 30 10.124 -16.585 4.113
223 2HA GLY 30 1HA GLY 30 9.989 -15.029 3.289
224 H ARG 31 H ARG 31 7.804 -14.212 5.194
225 HA ARG 31 HA ARG 31 7.546 -13.285 7.363
226 1HB ARG 31 2HB ARG 31 9.371 -15.403 7.676
227 2HB ARG 31 1HB ARG 31 10.156 -14.014 8.428
228 1HG ARG 31 2HG ARG 31 8.417 -13.707 9.974
229 2HG ARG 31 1HG ARG 31 7.258 -14.605 8.993
230 1HD ARG 31 2HD ARG 31 8.175 -15.819 11.078
231 2HD ARG 31 1HD ARG 31 8.289 -16.709 9.546
232 HE ARG 31 HE ARG 31 10.552 -15.332 10.905
233 1HH1 ARG 31 1HH2 ARG 31 12.010 -14.998 8.865
234 2HH1 ARG 31 2HH2 ARG 31 12.349 -16.491 8.055
235 1HH2 ARG 31 1HH1 ARG 31 11.098 -18.323 8.491
236 2HH2 ARG 31 2HH1 ARG 31 9.800 -18.233 9.634
237 H LEU 32 H LEU 32 9.967 -12.657 5.124
238 HA LEU 32 HA LEU 32 10.762 -10.166 6.581
239 1HB LEU 32 2HB LEU 32 12.314 -11.701 4.480
240 2HB LEU 32 1HB LEU 32 12.918 -10.416 5.530
241 HG LEU 32 HG LEU 32 12.039 -13.197 6.335
242 1HD1 LEU 32 1HD1 LEU 32 14.603 -11.673 6.181
243 2HD1 LEU 32 3HD1 LEU 32 14.414 -12.851 7.480
244 3HD1 LEU 32 2HD1 LEU 32 14.277 -13.364 5.798
245 1HD2 LEU 32 1HD2 LEU 32 12.006 -10.679 7.842
246 2HD2 LEU 32 3HD2 LEU 32 11.299 -12.240 8.256
247 3HD2 LEU 32 2HD2 LEU 32 12.995 -11.920 8.608
248 H THR 33 H THR 33 10.222 -8.329 5.587
249 HA THR 33 HA THR 33 10.071 -8.079 2.676
250 HB THR 33 HB THR 33 7.496 -7.346 3.822
251 HG1 THR 33 HG1 THR 33 7.603 -10.069 3.740
252 1HG2 THR 33 3HG2 THR 33 8.464 -9.170 1.618
253 2HG2 THR 33 2HG2 THR 33 6.752 -8.984 1.997
254 3HG2 THR 33 1HG2 THR 33 7.693 -7.592 1.462
255 H PHE 34 H PHE 34 11.570 -6.744 4.653
256 HA PHE 34 HA PHE 34 10.998 -3.981 4.047
257 1HB PHE 34 2HB PHE 34 10.403 -3.337 6.410
258 2HB PHE 34 1HB PHE 34 9.181 -4.336 5.626
259 HD1 PHE 34 HD2 PHE 34 9.060 -6.791 6.141
260 HD2 PHE 34 HD1 PHE 34 11.602 -4.112 8.332
261 HE1 PHE 34 HE2 PHE 34 9.269 -8.472 7.951
262 HE2 PHE 34 HE1 PHE 34 11.808 -5.791 10.145
263 HZ PHE 34 HZ PHE 34 10.642 -7.971 9.954
264 H ASN 35 H ASN 35 13.223 -3.812 3.617
265 HA ASN 35 HA ASN 35 15.008 -3.900 6.007
266 1HB ASN 35 2HB ASN 35 14.899 -5.947 4.265
267 2HB ASN 35 1HB ASN 35 16.039 -4.915 3.400
268 1HD2 ASN 35 1HD2 ASN 35 16.490 -7.519 4.942
269 2HD2 ASN 35 2HD2 ASN 35 17.720 -7.145 6.051
270 H LYS 36 H LYS 36 14.972 -3.107 2.490
271 HA LYS 36 HA LYS 36 17.071 -1.138 2.726
272 1HB LYS 36 2HB LYS 36 15.162 -2.154 0.705
273 2HB LYS 36 1HB LYS 36 15.795 -0.535 0.409
274 1HG LYS 36 2HG LYS 36 18.028 -1.985 1.223
275 2HG LYS 36 1HG LYS 36 17.145 -3.112 0.192
276 1HD LYS 36 2HD LYS 36 17.732 -1.973 -1.660
277 2HD LYS 36 1HD LYS 36 17.137 -0.461 -0.973
278 1HE LYS 36 2HE LYS 36 19.524 -1.048 0.430
279 2HE LYS 36 1HE LYS 36 19.875 -1.327 -1.287
280 1HZ LYS 36 3HZ LYS 36 18.425 1.055 -0.267
281 2HZ LYS 36 2HZ LYS 36 20.096 1.038 -0.578
282 3HZ LYS 36 1HZ LYS 36 18.991 0.796 -1.845
283 H VAL 37 H VAL 37 14.220 0.075 1.123
284 HA VAL 37 HA VAL 37 13.399 1.787 3.367
285 HB VAL 37 HB VAL 37 15.560 2.426 1.587
286 1HG1 VAL 37 1HG1 VAL 37 13.634 3.450 0.233
287 2HG1 VAL 37 3HG1 VAL 37 13.439 4.580 1.573
288 3HG1 VAL 37 2HG1 VAL 37 14.952 4.534 0.673
289 1HG2 VAL 37 2HG2 VAL 37 14.434 3.214 4.131
290 2HG2 VAL 37 1HG2 VAL 37 16.104 3.323 3.574
291 3HG2 VAL 37 3HG2 VAL 37 14.974 4.634 3.234
292 H ILE 38 H ILE 38 11.985 3.696 2.272
293 HA ILE 38 HA ILE 38 10.400 2.634 -0.037
294 HB ILE 38 HB ILE 38 9.134 1.817 1.764
295 1HG1 ILE 38 2HG1 ILE 38 7.931 3.585 0.285
296 2HG1 ILE 38 1HG1 ILE 38 7.134 3.043 1.756
297 1HG2 ILE 38 3HG2 ILE 38 10.542 2.807 3.541
298 2HG2 ILE 38 2HG2 ILE 38 9.744 4.360 3.299
299 3HG2 ILE 38 1HG2 ILE 38 8.825 2.982 3.901
300 1HD1 ILE 38 3HD1 ILE 38 8.797 5.242 2.473
301 2HD1 ILE 38 2HD1 ILE 38 7.922 5.705 1.019
302 3HD1 ILE 38 1HD1 ILE 38 7.038 5.176 2.448
303 H ARG 39 H ARG 39 10.188 4.242 -1.484
304 HA ARG 39 HA ARG 39 9.902 7.045 -0.516
305 1HB ARG 39 2HB ARG 39 12.147 5.803 -1.892
306 2HB ARG 39 1HB ARG 39 11.513 7.180 -2.796
307 1HG ARG 39 2HG ARG 39 11.511 8.365 -0.451
308 2HG ARG 39 1HG ARG 39 12.677 7.111 -0.027
309 1HD ARG 39 2HD ARG 39 14.306 7.968 -1.414
310 2HD ARG 39 1HD ARG 39 13.126 8.533 -2.614
311 HE ARG 39 HE ARG 39 12.595 10.072 -0.360
312 1HH1 ARG 39 1HH2 ARG 39 15.071 9.580 -2.685
313 2HH1 ARG 39 2HH2 ARG 39 15.944 11.016 -2.268
314 1HH2 ARG 39 1HH1 ARG 39 15.242 12.305 -0.548
315 2HH2 ARG 39 2HH1 ARG 39 13.832 11.855 0.353
316 HA PRO 40 HA PRO 40 8.095 6.889 -4.821
317 1HB PRO 40 2HB PRO 40 8.574 4.791 -6.516
318 2HB PRO 40 1HB PRO 40 9.643 6.196 -6.365
319 1HG PRO 40 2HG PRO 40 10.032 3.455 -5.430
320 2HG PRO 40 1HG PRO 40 11.219 4.727 -5.721
321 1HD PRO 40 2HD PRO 40 10.159 3.864 -3.218
322 2HD PRO 40 1HD PRO 40 11.322 5.169 -3.518
323 H CYS 41 H CYS 41 6.998 5.610 -2.552
324 HA CYS 41 HA CYS 41 5.185 3.535 -3.720
325 1HB CYS 41 2HB CYS 41 4.640 3.148 -1.298
326 2HB CYS 41 1HB CYS 41 6.351 2.930 -1.665
327 HG CYS 41 HG CYS 41 5.631 4.637 0.461
328 H MET 42 H MET 42 3.092 4.134 -4.196
329 HA MET 42 HA MET 42 2.109 6.741 -3.077
330 1HB MET 42 2HB MET 42 2.151 5.500 -5.789
331 2HB MET 42 1HB MET 42 0.746 6.483 -5.376
332 1HG MET 42 2HG MET 42 2.018 8.252 -5.998
333 2HG MET 42 1HG MET 42 2.840 8.027 -4.453
334 1HE MET 42 2HE MET 42 2.331 6.660 -7.788
335 2HE MET 42 1HE MET 42 3.894 6.616 -8.600
336 3HE MET 42 3HE MET 42 3.389 5.268 -7.571
337 H LYS 43 H LYS 43 -0.276 6.879 -2.922
338 HA LYS 43 HA LYS 43 -1.532 4.215 -2.341
339 1HB LYS 43 2HB LYS 43 -1.011 5.703 -0.401
340 2HB LYS 43 1HB LYS 43 -2.024 6.953 -1.120
341 1HG LYS 43 2HG LYS 43 -3.731 4.828 -1.172
342 2HG LYS 43 1HG LYS 43 -2.806 4.473 0.288
343 1HD LYS 43 2HD LYS 43 -3.925 6.064 1.416
344 2HD LYS 43 1HD LYS 43 -3.424 7.278 0.238
345 1HE LYS 43 2HE LYS 43 -5.393 7.116 -0.973
346 2HE LYS 43 1HE LYS 43 -5.642 5.415 -0.533
347 1HZ LYS 43 1HZ LYS 43 -5.571 7.278 1.687
348 2HZ LYS 43 3HZ LYS 43 -6.909 7.449 0.659
349 3HZ LYS 43 2HZ LYS 43 -6.603 5.956 1.411
350 H LYS 44 H LYS 44 -3.824 4.055 -2.871
351 HA LYS 44 HA LYS 44 -5.116 6.246 -4.352
352 1HB LYS 44 2HB LYS 44 -3.632 4.051 -5.607
353 2HB LYS 44 1HB LYS 44 -5.291 4.176 -6.195
354 1HG LYS 44 2HG LYS 44 -4.923 6.606 -6.615
355 2HG LYS 44 1HG LYS 44 -3.240 6.408 -6.127
356 1HD LYS 44 2HD LYS 44 -2.773 4.959 -7.964
357 2HD LYS 44 1HD LYS 44 -4.486 4.759 -8.332
358 1HE LYS 44 2HE LYS 44 -4.563 7.267 -8.798
359 2HE LYS 44 1HE LYS 44 -2.790 7.240 -8.727
360 1HZ LYS 44 2HZ LYS 44 -4.161 5.186 -10.308
361 2HZ LYS 44 1HZ LYS 44 -4.040 6.747 -10.965
362 3HZ LYS 44 3HZ LYS 44 -2.635 5.894 -10.549
363 H THR 45 H THR 45 -7.185 6.126 -3.572
364 HA THR 45 HA THR 45 -8.356 3.403 -3.092
365 HB THR 45 HB THR 45 -8.482 6.034 -1.627
366 HG1 THR 45 HG1 THR 45 -8.464 3.521 -0.439
367 1HG2 THR 45 3HG2 THR 45 -10.728 4.260 -2.074
368 2HG2 THR 45 2HG2 THR 45 -10.292 4.279 -0.369
369 3HG2 THR 45 1HG2 THR 45 -10.678 5.785 -1.198
370 H ILE 46 H ILE 46 -10.526 3.099 -3.759
371 HA ILE 46 HA ILE 46 -11.574 5.177 -5.650
372 HB ILE 46 HB ILE 46 -10.969 2.865 -6.472
373 1HG1 ILE 46 2HG1 ILE 46 -13.515 4.307 -6.753
374 2HG1 ILE 46 1HG1 ILE 46 -12.462 3.647 -8.000
375 1HG2 ILE 46 2HG2 ILE 46 -11.878 1.908 -4.191
376 2HG2 ILE 46 1HG2 ILE 46 -13.425 1.888 -5.034
377 3HG2 ILE 46 3HG2 ILE 46 -12.065 0.960 -5.666
378 1HD1 ILE 46 3HD1 ILE 46 -14.445 2.049 -6.350
379 2HD1 ILE 46 2HD1 ILE 46 -14.680 2.555 -8.024
380 3HD1 ILE 46 1HD1 ILE 46 -13.407 1.403 -7.621
381 H TYR 47 H TYR 47 -12.015 5.655 -2.975
382 HA TYR 47 HA TYR 47 -14.761 4.647 -2.424
383 1HB TYR 47 2HB TYR 47 -14.181 4.743 -0.189
384 2HB TYR 47 1HB TYR 47 -12.576 4.546 -0.883
385 HD1 TYR 47 HD2 TYR 47 -12.037 7.229 -2.004
386 HD2 TYR 47 HD1 TYR 47 -13.895 6.104 1.703
387 HE1 TYR 47 HE2 TYR 47 -11.351 9.391 -1.003
388 HE2 TYR 47 HE1 TYR 47 -13.208 8.266 2.702
389 HH TYR 47 HH TYR 47 -11.284 9.983 2.222
390 H GLU 48 H GLU 48 -16.195 6.307 -1.279
391 HA GLU 48 HA GLU 48 -16.422 8.690 -2.928
392 1HB GLU 48 2HB GLU 48 -18.359 7.471 -2.096
393 2HB GLU 48 1HB GLU 48 -17.833 7.714 -0.430
394 1HG GLU 48 2HG GLU 48 -19.311 9.472 -0.583
395 2HG GLU 48 1HG GLU 48 -17.871 10.277 -1.210
396 H ASN 49 H ASN 49 -17.063 9.294 0.385
397 HA ASN 49 HA ASN 49 -14.531 10.318 1.258
398 1HB ASN 49 2HB ASN 49 -15.385 11.719 -0.859
399 2HB ASN 49 1HB ASN 49 -16.299 12.569 0.387
400 1HD2 ASN 49 2HD2 ASN 49 -12.940 13.151 2.096
401 2HD2 ASN 49 1HD2 ASN 49 -14.231 12.120 2.485
402 H GLU 50 H GLU 50 -18.016 11.098 1.234
403 HA GLU 50 HA GLU 50 -18.063 10.853 4.195
404 1HB GLU 50 2HB GLU 50 -17.536 13.250 3.301
405 2HB GLU 50 1HB GLU 50 -19.238 13.278 2.837
406 1HG GLU 50 2HG GLU 50 -19.532 12.383 5.345
407 2HG GLU 50 1HG GLU 50 -18.016 13.261 5.557
408 H ARG 51 H ARG 51 -19.294 9.842 1.422
409 HA ARG 51 HA ARG 51 -22.123 9.795 2.410
410 1HB ARG 51 2HB ARG 51 -21.378 11.084 0.244
411 2HB ARG 51 1HB ARG 51 -21.295 9.472 -0.467
412 1HG ARG 51 2HG ARG 51 -23.605 9.061 -0.069
413 2HG ARG 51 1HG ARG 51 -23.738 10.437 1.027
414 1HD ARG 51 2HD ARG 51 -22.760 11.249 -1.606
415 2HD ARG 51 1HD ARG 51 -24.356 10.477 -1.691
416 HE ARG 51 HE ARG 51 -23.814 12.633 0.312
417 1HH1 ARG 51 2HH1 ARG 51 -26.431 12.022 0.756
418 2HH1 ARG 51 1HH1 ARG 51 -27.368 12.806 -0.472
419 1HH2 ARG 51 1HH2 ARG 51 -24.666 13.306 -2.586
420 2HH2 ARG 51 2HH2 ARG 51 -26.368 13.532 -2.364
421 H GLU 52 H GLU 52 -19.370 8.004 1.170
422 HA GLU 52 HA GLU 52 -20.494 5.485 2.105
423 1HB GLU 52 2HB GLU 52 -20.726 4.478 -0.155
424 2HB GLU 52 1HB GLU 52 -21.815 5.847 0.063
425 1HG GLU 52 2HG GLU 52 -20.143 7.314 -1.063
426 2HG GLU 52 1HG GLU 52 -19.140 5.894 -1.362
427 H ILE 53 H ILE 53 -19.055 3.605 1.092
428 HA ILE 53 HA ILE 53 -16.235 4.539 0.718
429 HB ILE 53 HB ILE 53 -16.873 3.996 3.122
430 1HG1 ILE 53 2HG1 ILE 53 -14.925 2.144 3.196
431 2HG1 ILE 53 1HG1 ILE 53 -14.684 2.729 1.549
432 1HG2 ILE 53 3HG2 ILE 53 -18.246 1.924 2.063
433 2HG2 ILE 53 2HG2 ILE 53 -16.740 1.102 2.466
434 3HG2 ILE 53 1HG2 ILE 53 -17.655 1.930 3.724
435 1HD1 ILE 53 2HD1 ILE 53 -15.062 5.054 3.035
436 2HD1 ILE 53 1HD1 ILE 53 -14.072 4.038 4.083
437 3HD1 ILE 53 3HD1 ILE 53 -13.516 4.433 2.456
438 H LYS 54 H LYS 54 -15.643 3.630 -1.233
439 HA LYS 54 HA LYS 54 -16.950 1.122 -2.122
440 1HB LYS 54 2HB LYS 54 -15.896 3.503 -3.304
441 2HB LYS 54 1HB LYS 54 -15.069 2.111 -4.001
442 1HG LYS 54 2HG LYS 54 -17.125 1.103 -4.674
443 2HG LYS 54 1HG LYS 54 -18.074 2.236 -3.713
444 1HD LYS 54 2HD LYS 54 -16.295 3.550 -5.647
445 2HD LYS 54 1HD LYS 54 -17.518 2.527 -6.399
446 1HE LYS 54 2HE LYS 54 -18.751 4.485 -6.176
447 2HE LYS 54 1HE LYS 54 -19.086 3.763 -4.589
448 1HZ LYS 54 3HZ LYS 54 -16.640 5.352 -4.994
449 2HZ LYS 54 2HZ LYS 54 -18.113 6.147 -4.706
450 3HZ LYS 54 1HZ LYS 54 -17.496 5.054 -3.561
451 H GLY 55 H GLY 55 -13.515 2.204 -2.535
452 1HA GLY 55 2HA GLY 55 -12.674 -0.357 -1.289
453 2HA GLY 55 1HA GLY 55 -12.271 -0.138 -2.988
454 H TYR 56 H TYR 56 -10.092 -0.477 -1.726
455 HA TYR 56 HA TYR 56 -8.759 2.135 -1.657
456 1HB TYR 56 2HB TYR 56 -9.595 2.176 0.566
457 2HB TYR 56 1HB TYR 56 -9.309 0.452 0.791
458 HD1 TYR 56 HD2 TYR 56 -6.787 2.516 -0.898
459 HD2 TYR 56 HD1 TYR 56 -8.037 0.864 2.866
460 HE1 TYR 56 HE2 TYR 56 -4.554 3.009 0.061
461 HE2 TYR 56 HE1 TYR 56 -5.803 1.356 3.822
462 HH TYR 56 HH TYR 56 -3.225 1.730 2.369
463 H GLU 57 H GLU 57 -7.123 1.487 -3.042
464 HA GLU 57 HA GLU 57 -5.544 -0.929 -2.239
465 1HB GLU 57 2HB GLU 57 -5.316 -1.456 -4.585
466 2HB GLU 57 1HB GLU 57 -7.027 -1.131 -4.305
467 1HG GLU 57 2HG GLU 57 -6.754 0.252 -6.109
468 2HG GLU 57 1HG GLU 57 -6.181 1.373 -4.873
469 H TYR 58 H TYR 58 -3.239 -0.721 -3.450
470 HA TYR 58 HA TYR 58 -2.384 2.078 -3.810
471 1HB TYR 58 2HB TYR 58 -1.472 2.442 -1.759
472 2HB TYR 58 1HB TYR 58 -2.629 1.219 -1.259
473 HD1 TYR 58 HD1 TYR 58 -1.264 -1.261 -2.408
474 HD2 TYR 58 HD2 TYR 58 0.324 2.110 -0.265
475 HE1 TYR 58 HE1 TYR 58 0.567 -2.669 -1.529
476 HE2 TYR 58 HE2 TYR 58 2.150 0.696 0.603
477 HH TYR 58 HH TYR 58 3.205 -1.287 0.373
478 H GLN 59 H GLN 59 0.019 2.251 -3.992
479 HA GLN 59 HA GLN 59 1.309 -0.217 -5.090
480 1HB GLN 59 2HB GLN 59 1.028 2.582 -6.215
481 2HB GLN 59 1HB GLN 59 2.333 1.519 -6.742
482 1HG GLN 59 2HG GLN 59 0.785 -0.116 -7.572
483 2HG GLN 59 1HG GLN 59 -0.578 0.692 -6.800
484 1HE2 GLN 59 2HE2 GLN 59 1.060 2.912 -9.835
485 2HE2 GLN 59 1HE2 GLN 59 2.058 2.305 -8.605
486 H LEU 60 H LEU 60 3.235 -0.530 -3.964
487 HA LEU 60 HA LEU 60 4.455 1.872 -2.648
488 1HB LEU 60 2HB LEU 60 3.424 0.375 -1.050
489 2HB LEU 60 1HB LEU 60 4.211 -1.022 -1.771
490 HG LEU 60 HG LEU 60 6.309 0.734 -1.184
491 1HD1 LEU 60 2HD1 LEU 60 4.700 2.044 0.203
492 2HD1 LEU 60 1HD1 LEU 60 4.367 0.592 1.146
493 3HD1 LEU 60 3HD1 LEU 60 5.977 1.313 1.174
494 1HD2 LEU 60 3HD2 LEU 60 5.178 -1.694 0.231
495 2HD2 LEU 60 2HD2 LEU 60 6.517 -1.639 -0.915
496 3HD2 LEU 60 1HD2 LEU 60 6.708 -0.952 0.698
497 H TYR 61 H TYR 61 5.632 1.956 -4.803
498 HA TYR 61 HA TYR 61 7.503 -0.162 -5.457
499 1HB TYR 61 2HB TYR 61 6.383 1.558 -6.942
500 2HB TYR 61 1HB TYR 61 7.489 2.747 -6.259
501 HD1 TYR 61 HD2 TYR 61 10.056 1.723 -6.127
502 HD2 TYR 61 HD1 TYR 61 7.032 0.710 -9.003
503 HE1 TYR 61 HE2 TYR 61 11.813 0.992 -7.717
504 HE2 TYR 61 HE1 TYR 61 8.788 -0.023 -10.592
505 HH TYR 61 HH TYR 61 11.669 -0.855 -9.890
506 H VAL 62 H VAL 62 9.134 -0.596 -4.044
507 HA VAL 62 HA VAL 62 11.008 1.550 -3.243
508 HB VAL 62 HB VAL 62 10.680 1.126 -0.875
509 1HG1 VAL 62 1HG1 VAL 62 9.183 2.786 -2.049
510 2HG1 VAL 62 3HG1 VAL 62 7.956 1.523 -2.130
511 3HG1 VAL 62 2HG1 VAL 62 8.509 2.114 -0.567
512 1HG2 VAL 62 1HG2 VAL 62 10.064 -1.256 -1.088
513 2HG2 VAL 62 3HG2 VAL 62 8.922 -0.373 -0.075
514 3HG2 VAL 62 2HG2 VAL 62 8.496 -0.778 -1.738
515 H TYR 63 H TYR 63 12.121 -0.031 -1.165
516 HA TYR 63 HA TYR 63 12.854 -2.597 -2.500
517 1HB TYR 63 2HB TYR 63 14.431 -0.599 -2.977
518 2HB TYR 63 1HB TYR 63 14.909 -0.750 -1.283
519 HD1 TYR 63 HD2 TYR 63 15.175 -3.444 -0.606
520 HD2 TYR 63 HD1 TYR 63 15.857 -1.657 -4.450
521 HE1 TYR 63 HE2 TYR 63 16.686 -5.314 -1.208
522 HE2 TYR 63 HE1 TYR 63 17.370 -3.528 -5.054
523 HH TYR 63 HH TYR 63 18.731 -5.548 -2.925
524 H ALA 64 H ALA 64 13.005 -4.234 -1.017
525 HA ALA 64 HA ALA 64 13.194 -3.456 1.861
526 1HB ALA 64 3HB ALA 64 10.899 -4.011 0.954
527 2HB ALA 64 2HB ALA 64 11.491 -5.646 0.658
528 3HB ALA 64 1HB ALA 64 11.416 -5.018 2.306
529 H SER 65 H SER 65 12.715 -6.650 1.925
530 HA SER 65 HA SER 65 15.637 -7.252 1.863
531 1HB SER 65 2HB SER 65 13.758 -9.227 2.973
532 2HB SER 65 1HB SER 65 15.188 -8.507 3.708
533 HG SER 65 HG SER 65 13.191 -7.897 4.723
534 H ASP 66 H ASP 66 12.503 -8.316 0.586
535 HA ASP 66 HA ASP 66 13.979 -10.059 -1.359
536 1HB ASP 66 2HB ASP 66 11.986 -11.613 -1.096
537 2HB ASP 66 1HB ASP 66 13.006 -11.476 0.337
538 H LYS 67 H LYS 67 12.037 -7.406 -0.979
539 HA LYS 67 HA LYS 67 10.598 -7.858 -3.572
540 1HB LYS 67 2HB LYS 67 8.835 -7.348 -2.256
541 2HB LYS 67 1HB LYS 67 9.883 -6.857 -0.934
542 1HG LYS 67 2HG LYS 67 9.770 -4.905 -3.151
543 2HG LYS 67 1HG LYS 67 8.237 -5.166 -2.334
544 1HD LYS 67 2HD LYS 67 9.775 -5.007 -0.167
545 2HD LYS 67 1HD LYS 67 10.774 -4.041 -1.257
546 1HE LYS 67 2HE LYS 67 9.090 -2.653 -0.030
547 2HE LYS 67 1HE LYS 67 8.842 -2.618 -1.789
548 1HZ LYS 67 2HZ LYS 67 7.583 -4.810 -0.357
549 2HZ LYS 67 1HZ LYS 67 6.910 -3.272 -0.091
550 3HZ LYS 67 3HZ LYS 67 7.008 -3.893 -1.666
551 H LEU 68 H LEU 68 11.988 -7.002 -5.079
552 HA LEU 68 HA LEU 68 13.318 -4.376 -4.561
553 1HB LEU 68 2HB LEU 68 13.606 -6.238 -6.931
554 2HB LEU 68 1HB LEU 68 14.765 -5.047 -6.342
555 HG LEU 68 HG LEU 68 13.982 -7.664 -5.040
556 1HD1 LEU 68 2HD1 LEU 68 16.586 -6.476 -6.039
557 2HD1 LEU 68 1HD1 LEU 68 16.481 -7.970 -5.108
558 3HD1 LEU 68 3HD1 LEU 68 15.732 -7.871 -6.701
559 1HD2 LEU 68 1HD2 LEU 68 14.945 -5.151 -3.850
560 2HD2 LEU 68 3HD2 LEU 68 14.230 -6.562 -3.069
561 3HD2 LEU 68 2HD2 LEU 68 15.950 -6.547 -3.462
562 H PHE 69 H PHE 69 10.831 -3.587 -4.807
563 HA PHE 69 HA PHE 69 10.577 -2.061 -7.133
564 1HB PHE 69 2HB PHE 69 8.800 -3.599 -8.281
565 2HB PHE 69 1HB PHE 69 10.499 -3.907 -8.539
566 HD1 PHE 69 HD1 PHE 69 8.564 -4.672 -5.435
567 HD2 PHE 69 HD2 PHE 69 10.530 -6.251 -8.914
568 HE1 PHE 69 HE1 PHE 69 8.350 -6.958 -4.517
569 HE2 PHE 69 HE2 PHE 69 10.314 -8.541 -7.991
570 HZ PHE 69 HZ PHE 69 9.225 -8.895 -5.793
571 H ARG 70 H ARG 70 7.550 -3.552 -7.025
572 HA ARG 70 HA ARG 70 6.723 -1.674 -4.840
573 1HB ARG 70 2HB ARG 70 6.068 -0.969 -7.098
574 2HB ARG 70 1HB ARG 70 5.289 -2.528 -7.364
575 1HG ARG 70 2HG ARG 70 3.893 -1.976 -5.232
576 2HG ARG 70 1HG ARG 70 4.439 -0.315 -5.470
577 1HD ARG 70 2HD ARG 70 2.895 -2.014 -7.463
578 2HD ARG 70 1HD ARG 70 2.323 -0.557 -6.626
579 HE ARG 70 HE ARG 70 4.193 0.670 -7.824
580 1HH1 ARG 70 2HH1 ARG 70 5.639 -1.596 -9.019
581 2HH1 ARG 70 1HH1 ARG 70 4.992 -1.675 -10.624
582 1HH2 ARG 70 1HH2 ARG 70 2.207 0.252 -9.878
583 2HH2 ARG 70 2HH2 ARG 70 3.048 -0.628 -11.110
584 H ALA 71 H ALA 71 5.140 -2.287 -3.458
585 HA ALA 71 HA ALA 71 4.258 -5.150 -3.513
586 1HB ALA 71 1HB ALA 71 5.127 -3.214 -1.389
587 2HB ALA 71 3HB ALA 71 3.877 -4.382 -0.963
588 3HB ALA 71 2HB ALA 71 5.455 -4.942 -1.516
589 H ASP 72 H ASP 72 2.191 -4.981 -4.462
590 HA ASP 72 HA ASP 72 0.590 -2.553 -3.991
591 1HB ASP 72 2HB ASP 72 0.766 -3.633 -6.202
592 2HB ASP 72 1HB ASP 72 0.075 -5.114 -5.536
593 H ILE 73 H ILE 73 -1.723 -2.812 -3.350
594 HA ILE 73 HA ILE 73 -2.555 -5.186 -1.902
595 HB ILE 73 HB ILE 73 -0.800 -3.714 -0.508
596 1HG1 ILE 73 2HG1 ILE 73 -1.785 -4.635 1.524
597 2HG1 ILE 73 1HG1 ILE 73 -3.339 -4.832 0.713
598 1HG2 ILE 73 1HG2 ILE 73 -2.399 -1.695 -0.746
599 2HG2 ILE 73 3HG2 ILE 73 -3.408 -2.523 0.434
600 3HG2 ILE 73 2HG2 ILE 73 -1.767 -2.042 0.860
601 1HD1 ILE 73 3HD1 ILE 73 -0.850 -6.126 -0.389
602 2HD1 ILE 73 2HD1 ILE 73 -1.785 -6.900 0.887
603 3HD1 ILE 73 1HD1 ILE 73 -2.536 -6.563 -0.668
604 H SER 74 H SER 74 -4.635 -5.192 -2.601
605 HA SER 74 HA SER 74 -6.076 -2.578 -2.746
606 1HB SER 74 2HB SER 74 -7.150 -3.468 -4.592
607 2HB SER 74 1HB SER 74 -5.668 -4.417 -4.660
608 HG SER 74 HG SER 74 -7.978 -5.420 -4.592
609 H GLU 75 H GLU 75 -8.397 -2.674 -2.070
610 HA GLU 75 HA GLU 75 -9.402 -4.905 -0.481
611 1HB GLU 75 2HB GLU 75 -7.746 -2.786 0.698
612 2HB GLU 75 1HB GLU 75 -9.300 -2.977 1.510
613 1HG GLU 75 2HG GLU 75 -8.544 -5.590 1.155
614 2HG GLU 75 1HG GLU 75 -6.989 -4.804 1.431
615 H ASP 76 H ASP 76 -11.595 -4.719 -1.009
616 HA ASP 76 HA ASP 76 -12.808 -2.339 -2.007
617 1HB ASP 76 2HB ASP 76 -13.505 -5.009 -1.402
618 2HB ASP 76 1HB ASP 76 -14.662 -3.995 -0.542
619 H TYR 77 H TYR 77 -15.168 -2.233 -0.302
620 HA TYR 77 HA TYR 77 -14.368 -1.453 2.389
621 1HB TYR 77 2HB TYR 77 -14.085 0.380 0.188
622 2HB TYR 77 1HB TYR 77 -15.306 0.993 1.298
623 HD1 TYR 77 HD2 TYR 77 -14.259 -0.219 3.856
624 HD2 TYR 77 HD1 TYR 77 -12.254 1.823 0.652
625 HE1 TYR 77 HE2 TYR 77 -12.466 0.476 5.422
626 HE2 TYR 77 HE1 TYR 77 -10.460 2.518 2.218
627 HH TYR 77 HH TYR 77 -10.751 2.445 5.494
628 H LYS 78 H LYS 78 -16.799 -0.411 -0.069
629 HA LYS 78 HA LYS 78 -19.013 -0.226 1.695
630 1HB LYS 78 2HB LYS 78 -19.158 0.583 -0.570
631 2HB LYS 78 1HB LYS 78 -18.716 -0.993 -1.226
632 1HG LYS 78 2HG LYS 78 -20.919 -1.432 -1.399
633 2HG LYS 78 1HG LYS 78 -20.969 -1.495 0.362
634 1HD LYS 78 2HD LYS 78 -20.957 1.253 -0.418
635 2HD LYS 78 1HD LYS 78 -22.192 0.424 -1.365
636 1HE LYS 78 2HE LYS 78 -23.401 -0.231 0.541
637 2HE LYS 78 1HE LYS 78 -21.992 -0.061 1.606
638 1HZ LYS 78 1HZ LYS 78 -21.998 2.341 1.063
639 2HZ LYS 78 3HZ LYS 78 -23.462 2.125 0.234
640 3HZ LYS 78 2HZ LYS 78 -23.386 1.844 1.908
641 H THR 79 H THR 79 -17.793 -2.942 -0.221
642 HA THR 79 HA THR 79 -19.434 -4.841 1.411
643 HB THR 79 HB THR 79 -18.447 -6.292 -0.657
644 HG1 THR 79 HG1 THR 79 -17.470 -4.944 -1.931
645 1HG2 THR 79 1HG2 THR 79 -20.876 -4.654 -0.238
646 2HG2 THR 79 3HG2 THR 79 -20.583 -5.165 -1.900
647 3HG2 THR 79 2HG2 THR 79 -20.725 -6.369 -0.620
648 H ARG 80 H ARG 80 -16.333 -3.543 1.014
649 HA ARG 80 HA ARG 80 -14.222 -4.150 1.865
650 1HB ARG 80 2HB ARG 80 -16.081 -5.907 3.499
651 2HB ARG 80 1HB ARG 80 -14.390 -5.598 3.901
652 1HG ARG 80 2HG ARG 80 -15.279 -3.883 5.123
653 2HG ARG 80 1HG ARG 80 -15.269 -3.053 3.566
654 1HD ARG 80 2HD ARG 80 -17.493 -2.903 4.720
655 2HD ARG 80 1HD ARG 80 -17.603 -3.745 3.161
656 HE ARG 80 HE ARG 80 -17.862 -5.821 4.332
657 1HH1 ARG 80 1HH2 ARG 80 -15.969 -5.839 6.464
658 2HH1 ARG 80 2HH2 ARG 80 -16.896 -5.504 7.888
659 1HH2 ARG 80 2HH1 ARG 80 -19.605 -4.222 6.143
660 2HH2 ARG 80 1HH1 ARG 80 -18.954 -4.589 7.706
661 H GLY 81 H GLY 81 -15.344 -5.657 -0.480
662 1HA GLY 81 2HA GLY 81 -13.764 -8.159 -0.066
663 2HA GLY 81 1HA GLY 81 -15.271 -8.162 -0.972
664 H ARG 82 H ARG 82 -11.965 -6.947 -0.973
665 HA ARG 82 HA ARG 82 -11.650 -7.440 -3.808
666 1HB ARG 82 2HB ARG 82 -12.314 -4.701 -2.791
667 2HB ARG 82 1HB ARG 82 -11.154 -4.841 -4.105
668 1HG ARG 82 2HG ARG 82 -13.012 -6.493 -5.076
669 2HG ARG 82 1HG ARG 82 -14.066 -5.491 -4.082
670 1HD ARG 82 2HD ARG 82 -12.911 -3.466 -5.198
671 2HD ARG 82 1HD ARG 82 -12.315 -4.637 -6.392
672 HE ARG 82 HE ARG 82 -15.127 -5.044 -5.938
673 1HH1 ARG 82 2HH1 ARG 82 -12.736 -3.357 -7.730
674 2HH1 ARG 82 1HH1 ARG 82 -13.866 -2.639 -8.829
675 1HH2 ARG 82 1HH2 ARG 82 -16.654 -3.933 -7.227
676 2HH2 ARG 82 2HH2 ARG 82 -16.083 -2.965 -8.544
677 H LYS 83 H LYS 83 -9.916 -8.576 -2.556
678 HA LYS 83 HA LYS 83 -7.779 -6.798 -1.501
679 1HB LYS 83 2HB LYS 83 -8.928 -9.192 -0.681
680 2HB LYS 83 1HB LYS 83 -7.385 -9.692 -1.376
681 1HG LYS 83 2HG LYS 83 -6.139 -8.474 0.165
682 2HG LYS 83 1HG LYS 83 -7.445 -7.328 0.468
683 1HD LYS 83 2HD LYS 83 -7.035 -8.936 2.365
684 2HD LYS 83 1HD LYS 83 -8.684 -8.970 1.737
685 1HE LYS 83 2HE LYS 83 -7.740 -11.271 2.074
686 2HE LYS 83 1HE LYS 83 -8.140 -10.955 0.374
687 1HZ LYS 83 2HZ LYS 83 -5.503 -10.108 1.274
688 2HZ LYS 83 1HZ LYS 83 -5.741 -11.785 1.142
689 3HZ LYS 83 3HZ LYS 83 -5.976 -10.788 -0.210
690 H LEU 84 H LEU 84 -5.663 -6.845 -2.392
691 HA LEU 84 HA LEU 84 -4.914 -8.710 -4.499
692 1HB LEU 84 2HB LEU 84 -6.658 -6.794 -5.307
693 2HB LEU 84 1HB LEU 84 -5.134 -5.946 -5.564
694 HG LEU 84 HG LEU 84 -4.316 -7.978 -6.822
695 1HD1 LEU 84 2HD1 LEU 84 -6.214 -9.392 -5.705
696 2HD1 LEU 84 1HD1 LEU 84 -7.212 -8.773 -7.022
697 3HD1 LEU 84 3HD1 LEU 84 -5.774 -9.728 -7.380
698 1HD2 LEU 84 2HD2 LEU 84 -5.179 -5.972 -7.982
699 2HD2 LEU 84 1HD2 LEU 84 -5.603 -7.441 -8.862
700 3HD2 LEU 84 3HD2 LEU 84 -6.817 -6.621 -7.882
701 H LEU 85 H LEU 85 -2.736 -8.842 -4.251
702 HA LEU 85 HA LEU 85 -1.256 -6.343 -3.538
703 1HB LEU 85 2HB LEU 85 -0.332 -7.416 -1.746
704 2HB LEU 85 1HB LEU 85 -1.707 -8.500 -1.918
705 HG LEU 85 HG LEU 85 1.059 -8.911 -3.097
706 1HD1 LEU 85 3HD1 LEU 85 0.754 -9.294 -0.623
707 2HD1 LEU 85 2HD1 LEU 85 -0.458 -10.511 -1.018
708 3HD1 LEU 85 1HD1 LEU 85 1.215 -10.740 -1.520
709 1HD2 LEU 85 1HD2 LEU 85 -1.214 -9.760 -4.273
710 2HD2 LEU 85 3HD2 LEU 85 0.257 -10.724 -4.268
711 3HD2 LEU 85 2HD2 LEU 85 -1.019 -11.046 -3.094
712 H ARG 86 H ARG 86 1.157 -6.533 -4.154
713 HA ARG 86 HA ARG 86 1.736 -8.430 -6.349
714 1HB ARG 86 2HB ARG 86 1.458 -5.437 -6.748
715 2HB ARG 86 1HB ARG 86 2.093 -6.551 -7.956
716 1HG ARG 86 2HG ARG 86 -0.111 -7.843 -7.671
717 2HG ARG 86 1HG ARG 86 -0.705 -6.403 -6.842
718 1HD ARG 86 2HD ARG 86 0.524 -6.338 -9.618
719 2HD ARG 86 1HD ARG 86 -1.223 -6.430 -9.317
720 HE ARG 86 HE ARG 86 -0.468 -4.333 -7.720
721 1HH1 ARG 86 2HH1 ARG 86 -0.873 -4.993 -11.013
722 2HH1 ARG 86 1HH1 ARG 86 -0.327 -3.443 -11.560
723 1HH2 ARG 86 1HH2 ARG 86 0.671 -2.389 -8.411
724 2HH2 ARG 86 2HH2 ARG 86 0.547 -1.969 -10.086
725 H PHE 87 H PHE 87 3.823 -9.017 -5.953
726 HA PHE 87 HA PHE 87 5.746 -6.979 -4.864
727 1HB PHE 87 2HB PHE 87 6.026 -9.996 -5.041
728 2HB PHE 87 1HB PHE 87 6.979 -8.891 -4.055
729 HD1 PHE 87 HD2 PHE 87 4.953 -7.163 -2.825
730 HD2 PHE 87 HD1 PHE 87 4.878 -11.392 -3.572
731 HE1 PHE 87 HE2 PHE 87 3.357 -7.471 -0.953
732 HE2 PHE 87 HE1 PHE 87 3.288 -11.698 -1.702
733 HZ PHE 87 HZ PHE 87 2.533 -9.735 -0.387
734 H ASN 88 H ASN 88 5.683 -6.238 -7.348
735 HA ASN 88 HA ASN 88 7.954 -7.639 -8.649
736 1HB ASN 88 2HB ASN 88 5.563 -7.190 -10.358
737 2HB ASN 88 1HB ASN 88 6.829 -8.406 -10.493
738 1HD2 ASN 88 2HD2 ASN 88 3.507 -9.189 -8.248
739 2HD2 ASN 88 1HD2 ASN 88 3.759 -7.642 -8.901
740 H GLY 89 H GLY 89 7.701 -6.500 -11.174
741 1HA GLY 89 2HA GLY 89 7.982 -4.455 -12.339
742 2HA GLY 89 1HA GLY 89 7.331 -3.605 -10.924
743 HA PRO 90 HA PRO 90 11.673 -4.879 -9.439
744 1HB PRO 90 2HB PRO 90 13.285 -6.188 -11.238
745 2HB PRO 90 1HB PRO 90 12.218 -7.004 -10.075
746 1HG PRO 90 2HG PRO 90 11.728 -6.365 -12.957
747 2HG PRO 90 1HG PRO 90 11.407 -7.867 -12.069
748 1HD PRO 90 2HD PRO 90 9.438 -6.138 -12.588
749 2HD PRO 90 1HD PRO 90 9.506 -7.006 -11.036
750 H VAL 91 HN VAL 91 13.741 -3.785 -9.672
751 HA VAL 91 HA VAL 91 13.622 -1.388 -11.284
752 HB VAL 91 HB VAL 91 16.053 -2.548 -9.909
753 1HG1 VAL 91 1HG1 VAL 91 15.867 -0.266 -11.239
754 2HG1 VAL 91 3HG1 VAL 91 15.107 0.290 -9.747
755 3HG1 VAL 91 2HG1 VAL 91 16.752 -0.344 -9.717
756 1HG2 VAL 91 2HG2 VAL 91 13.480 -1.548 -8.723
757 2HG2 VAL 91 1HG2 VAL 91 14.511 -2.875 -8.189
758 3HG2 VAL 91 3HG2 VAL 91 14.996 -1.206 -7.890
No H/Q in entry = 758
Start of MODEL 16
1 1H GLY 1 2H GLY 1 -10.914 7.239 -9.129
2 2H GLY 1 1H GLY 1 -12.469 6.706 -8.697
3 3H GLY 1 3H GLY 1 -12.195 8.350 -9.010
4 1HA GLY 1 2HA GLY 1 -12.349 8.022 -6.648
5 2HA GLY 1 1HA GLY 1 -11.096 6.783 -6.740
6 H GLU 2 H GLU 2 -9.344 7.700 -5.744
7 HA GLU 2 HA GLU 2 -8.213 10.163 -6.967
8 1HB GLU 2 2HB GLU 2 -8.016 11.211 -4.748
9 2HB GLU 2 1HB GLU 2 -9.705 10.829 -5.087
10 1HG GLU 2 2HG GLU 2 -7.952 8.863 -3.626
11 2HG GLU 2 1HG GLU 2 -8.742 10.179 -2.758
12 H TRP 3 H TRP 3 -5.973 10.577 -5.797
13 HA TRP 3 HA TRP 3 -4.705 8.015 -4.948
14 1HB TRP 3 2HB TRP 3 -2.839 8.654 -6.613
15 2HB TRP 3 1HB TRP 3 -4.337 8.030 -7.301
16 HD1 TRP 3 HD1 TRP 3 -6.021 9.806 -8.407
17 HE1 TRP 3 HE1 TRP 3 -5.585 12.126 -9.445
18 HE3 TRP 3 HE3 TRP 3 -1.391 10.779 -6.483
19 HZ2 TRP 3 HZ2 TRP 3 -3.544 14.129 -9.456
20 HZ3 TRP 3 HZ3 TRP 3 -0.226 12.898 -7.023
21 HH2 TRP 3 HH2 TRP 3 -1.295 14.573 -8.505
22 H GLU 4 H GLU 4 -2.821 8.345 -3.646
23 HA GLU 4 HA GLU 4 -1.900 11.122 -3.165
24 1HB GLU 4 2HB GLU 4 -3.458 9.387 -1.262
25 2HB GLU 4 1HB GLU 4 -2.332 10.598 -0.643
26 1HG GLU 4 2HG GLU 4 -3.475 12.308 -2.055
27 2HG GLU 4 1HG GLU 4 -4.664 11.084 -2.504
28 H ILE 5 H ILE 5 0.256 11.126 -2.598
29 HA ILE 5 HA ILE 5 1.677 8.594 -2.556
30 HB ILE 5 HB ILE 5 3.551 9.941 -2.837
31 1HG1 ILE 5 2HG1 ILE 5 3.253 11.177 -0.682
32 2HG1 ILE 5 1HG1 ILE 5 3.787 12.220 -2.000
33 1HG2 ILE 5 2HG2 ILE 5 1.395 10.500 -4.372
34 2HG2 ILE 5 1HG2 ILE 5 1.758 12.107 -3.744
35 3HG2 ILE 5 3HG2 ILE 5 2.986 11.211 -4.639
36 1HD1 ILE 5 2HD1 ILE 5 1.326 12.757 -2.400
37 2HD1 ILE 5 1HD1 ILE 5 0.997 11.958 -0.862
38 3HD1 ILE 5 3HD1 ILE 5 2.016 13.397 -0.908
39 H ILE 6 H ILE 6 3.632 8.712 -0.753
40 HA ILE 6 HA ILE 6 2.202 8.873 1.880
41 HB ILE 6 HB ILE 6 3.211 6.868 2.448
42 1HG1 ILE 6 2HG1 ILE 6 5.518 7.622 2.321
43 2HG1 ILE 6 1HG1 ILE 6 5.378 6.083 1.481
44 1HG2 ILE 6 2HG2 ILE 6 3.270 6.811 -0.582
45 2HG2 ILE 6 1HG2 ILE 6 3.340 5.384 0.453
46 3HG2 ILE 6 3HG2 ILE 6 1.900 6.401 0.449
47 1HD1 ILE 6 2HD1 ILE 6 5.025 7.489 -0.652
48 2HD1 ILE 6 1HD1 ILE 6 5.649 8.841 0.288
49 3HD1 ILE 6 3HD1 ILE 6 6.655 7.422 0.010
50 H ASP 7 H ASP 7 4.361 8.739 3.616
51 HA ASP 7 HA ASP 7 6.127 11.027 2.835
52 1HB ASP 7 2HB ASP 7 4.133 11.793 4.111
53 2HB ASP 7 1HB ASP 7 4.584 10.710 5.428
54 H ILE 8 H ILE 8 7.042 8.421 2.816
55 HA ILE 8 HA ILE 8 8.547 6.892 3.823
56 HB ILE 8 HB ILE 8 9.789 8.966 3.056
57 1HG1 ILE 8 2HG1 ILE 8 11.069 7.755 5.509
58 2HG1 ILE 8 1HG1 ILE 8 10.820 6.810 4.040
59 1HG2 ILE 8 3HG2 ILE 8 9.435 9.627 5.987
60 2HG2 ILE 8 2HG2 ILE 8 10.707 10.347 5.001
61 3HG2 ILE 8 1HG2 ILE 8 9.014 10.622 4.593
62 1HD1 ILE 8 3HD1 ILE 8 11.928 9.277 3.211
63 2HD1 ILE 8 2HD1 ILE 8 12.875 8.753 4.604
64 3HD1 ILE 8 1HD1 ILE 8 12.710 7.696 3.202
65 H GLY 9 H GLY 9 6.244 7.591 5.489
66 1HA GLY 9 2HA GLY 9 7.498 7.069 8.147
67 2HA GLY 9 1HA GLY 9 6.279 8.329 8.008
68 HA PRO 10 HA PRO 10 3.168 5.299 8.403
69 1HB PRO 10 2HB PRO 10 1.252 6.007 6.585
70 2HB PRO 10 1HB PRO 10 1.626 6.962 8.030
71 1HG PRO 10 2HG PRO 10 2.236 7.514 5.220
72 2HG PRO 10 1HG PRO 10 2.140 8.621 6.594
73 1HD PRO 10 2HD PRO 10 4.479 7.547 5.366
74 2HD PRO 10 1HD PRO 10 4.390 8.623 6.777
75 H PHE 11 H PHE 11 3.372 5.701 4.829
76 HA PHE 11 HA PHE 11 2.530 3.039 4.229
77 1HB PHE 11 2HB PHE 11 4.057 5.221 2.829
78 2HB PHE 11 1HB PHE 11 3.856 3.651 2.048
79 HD1 PHE 11 HD1 PHE 11 1.716 5.988 4.080
80 HD2 PHE 11 HD2 PHE 11 2.052 3.512 0.586
81 HE1 PHE 11 HE1 PHE 11 -0.588 6.611 3.419
82 HE2 PHE 11 HE2 PHE 11 -0.256 4.140 -0.076
83 HZ PHE 11 HZ PHE 11 -1.575 5.687 1.341
84 H THR 12 H THR 12 5.648 4.357 5.168
85 HA THR 12 HA THR 12 7.320 2.188 4.326
86 HB THR 12 HB THR 12 8.906 3.287 5.719
87 HG1 THR 12 HG1 THR 12 6.892 4.644 7.104
88 1HG2 THR 12 3HG2 THR 12 7.698 4.710 3.890
89 2HG2 THR 12 2HG2 THR 12 7.033 5.578 5.269
90 3HG2 THR 12 1HG2 THR 12 8.779 5.509 5.029
91 H GLN 13 H GLN 13 6.088 3.024 7.567
92 HA GLN 13 HA GLN 13 6.723 0.541 8.816
93 1HB GLN 13 2HB GLN 13 6.117 2.713 9.915
94 2HB GLN 13 1HB GLN 13 4.447 2.460 9.404
95 1HG GLN 13 2HG GLN 13 4.252 0.470 10.741
96 2HG GLN 13 1HG GLN 13 5.983 0.465 11.086
97 1HE2 GLN 13 2HE2 GLN 13 3.690 2.312 13.686
98 2HE2 GLN 13 1HE2 GLN 13 3.237 1.015 12.689
99 H ASN 14 H ASN 14 4.235 1.438 6.630
100 HA ASN 14 HA ASN 14 2.309 -0.622 7.268
101 1HB ASN 14 2HB ASN 14 2.851 1.379 5.138
102 2HB ASN 14 1HB ASN 14 1.824 0.018 4.688
103 1HD2 ASN 14 2HD2 ASN 14 0.351 1.928 7.987
104 2HD2 ASN 14 1HD2 ASN 14 1.923 1.289 8.000
105 H LEU 15 H LEU 15 4.601 -0.266 4.600
106 HA LEU 15 HA LEU 15 4.410 -2.705 3.311
107 1HB LEU 15 2HB LEU 15 5.946 -0.788 2.800
108 2HB LEU 15 1HB LEU 15 6.969 -1.292 4.145
109 HG LEU 15 HG LEU 15 6.261 -3.123 1.839
110 1HD1 LEU 15 1HD1 LEU 15 7.715 -0.871 1.497
111 2HD1 LEU 15 3HD1 LEU 15 8.983 -1.952 2.078
112 3HD1 LEU 15 2HD1 LEU 15 8.061 -2.370 0.634
113 1HD2 LEU 15 3HD2 LEU 15 8.050 -3.233 4.243
114 2HD2 LEU 15 2HD2 LEU 15 7.032 -4.496 3.549
115 3HD2 LEU 15 1HD2 LEU 15 8.560 -4.071 2.777
116 H GLY 16 H GLY 16 6.803 -2.137 5.918
117 1HA GLY 16 2HA GLY 16 7.647 -4.712 6.408
118 2HA GLY 16 1HA GLY 16 7.407 -3.555 7.717
119 H LYS 17 H LYS 17 4.630 -3.271 7.656
120 HA LYS 17 HA LYS 17 3.797 -5.773 8.928
121 1HB LYS 17 2HB LYS 17 2.958 -2.966 8.705
122 2HB LYS 17 1HB LYS 17 1.616 -4.106 8.812
123 1HG LYS 17 2HG LYS 17 2.311 -3.387 11.059
124 2HG LYS 17 1HG LYS 17 2.641 -5.105 10.834
125 1HD LYS 17 2HD LYS 17 4.931 -3.733 9.898
126 2HD LYS 17 1HD LYS 17 4.495 -2.979 11.433
127 1HE LYS 17 2HE LYS 17 5.067 -4.834 12.632
128 2HE LYS 17 1HE LYS 17 4.329 -5.931 11.447
129 1HZ LYS 17 2HZ LYS 17 6.844 -4.427 10.965
130 2HZ LYS 17 1HZ LYS 17 6.803 -6.036 11.508
131 3HZ LYS 17 3HZ LYS 17 6.170 -5.640 9.985
132 H PHE 18 H PHE 18 1.829 -3.839 6.782
133 HA PHE 18 HA PHE 18 0.115 -5.665 5.729
134 1HB PHE 18 2HB PHE 18 1.550 -3.302 4.598
135 2HB PHE 18 1HB PHE 18 0.539 -4.254 3.512
136 HD1 PHE 18 HD2 PHE 18 -0.038 -3.771 7.149
137 HD2 PHE 18 HD1 PHE 18 -1.263 -2.711 3.170
138 HE1 PHE 18 HE2 PHE 18 -2.063 -2.669 8.065
139 HE2 PHE 18 HE1 PHE 18 -3.287 -1.609 4.087
140 HZ PHE 18 HZ PHE 18 -3.687 -1.589 6.534
141 H ALA 19 H ALA 19 3.504 -5.447 4.924
142 HA ALA 19 HA ALA 19 3.358 -7.296 2.671
143 1HB ALA 19 3HB ALA 19 5.086 -5.515 2.973
144 2HB ALA 19 2HB ALA 19 5.707 -6.392 4.371
145 3HB ALA 19 1HB ALA 19 5.801 -7.112 2.765
146 H VAL 20 H VAL 20 5.311 -7.692 5.636
147 HA VAL 20 HA VAL 20 5.692 -10.392 5.712
148 HB VAL 20 HB VAL 20 4.963 -8.396 7.849
149 1HG1 VAL 20 3HG1 VAL 20 5.603 -11.335 8.183
150 2HG1 VAL 20 2HG1 VAL 20 5.844 -10.159 9.476
151 3HG1 VAL 20 1HG1 VAL 20 4.226 -10.447 8.836
152 1HG2 VAL 20 3HG2 VAL 20 7.153 -8.287 6.624
153 2HG2 VAL 20 2HG2 VAL 20 7.334 -8.545 8.359
154 3HG2 VAL 20 1HG2 VAL 20 7.528 -9.896 7.241
155 H ASP 21 H ASP 21 2.586 -8.789 6.233
156 HA ASP 21 HA ASP 21 1.305 -11.357 7.004
157 1HB ASP 21 2HB ASP 21 0.757 -9.251 8.179
158 2HB ASP 21 1HB ASP 21 0.257 -8.526 6.651
159 H GLU 22 H GLU 22 0.017 -8.849 4.819
160 HA GLU 22 HA GLU 22 -1.374 -10.598 3.137
161 1HB GLU 22 2HB GLU 22 0.052 -8.086 2.228
162 2HB GLU 22 1HB GLU 22 -1.462 -8.739 1.604
163 1HG GLU 22 2HG GLU 22 -1.765 -8.414 4.419
164 2HG GLU 22 1HG GLU 22 -1.084 -6.917 3.781
165 H GLU 23 H GLU 23 2.043 -9.974 3.242
166 HA GLU 23 HA GLU 23 2.605 -11.223 0.645
167 1HB GLU 23 2HB GLU 23 4.026 -9.489 1.880
168 2HB GLU 23 1HB GLU 23 4.472 -10.780 2.996
169 1HG GLU 23 2HG GLU 23 5.793 -11.841 1.461
170 2HG GLU 23 1HG GLU 23 4.750 -11.405 0.107
171 H ASN 24 H ASN 24 3.448 -12.185 4.011
172 HA ASN 24 HA ASN 24 4.030 -14.896 3.484
173 1HB ASN 24 2HB ASN 24 2.694 -13.475 5.811
174 2HB ASN 24 1HB ASN 24 3.118 -15.183 5.880
175 1HD2 ASN 24 2HD2 ASN 24 6.641 -13.504 5.131
176 2HD2 ASN 24 1HD2 ASN 24 5.492 -13.883 3.944
177 H LYS 25 H LYS 25 0.885 -13.364 4.250
178 HA LYS 25 HA LYS 25 -0.759 -15.656 3.962
179 1HB LYS 25 2HB LYS 25 -1.003 -12.711 3.783
180 2HB LYS 25 1HB LYS 25 -2.274 -13.615 2.962
181 1HG LYS 25 2HG LYS 25 -2.859 -13.128 5.329
182 2HG LYS 25 1HG LYS 25 -2.756 -14.860 5.016
183 1HD LYS 25 2HD LYS 25 -0.155 -13.852 5.750
184 2HD LYS 25 1HD LYS 25 -1.339 -13.385 6.971
185 1HE LYS 25 2HE LYS 25 -2.137 -15.805 6.971
186 2HE LYS 25 1HE LYS 25 -0.705 -16.185 5.994
187 1HZ LYS 25 2HZ LYS 25 -0.266 -14.483 8.310
188 2HZ LYS 25 1HZ LYS 25 -0.655 -16.102 8.653
189 3HZ LYS 25 3HZ LYS 25 0.694 -15.741 7.691
190 H ILE 26 H ILE 26 0.180 -13.240 1.551
191 HA ILE 26 HA ILE 26 -0.990 -14.349 -0.740
192 HB ILE 26 HB ILE 26 1.162 -12.502 -0.067
193 1HG1 ILE 26 2HG1 ILE 26 -0.892 -11.673 -0.967
194 2HG1 ILE 26 1HG1 ILE 26 0.319 -11.444 -2.228
195 1HG2 ILE 26 1HG2 ILE 26 1.561 -14.282 -2.460
196 2HG2 ILE 26 3HG2 ILE 26 2.171 -12.627 -2.438
197 3HG2 ILE 26 2HG2 ILE 26 2.738 -13.793 -1.242
198 1HD1 ILE 26 2HD1 ILE 26 -0.670 -14.039 -2.636
199 2HD1 ILE 26 1HD1 ILE 26 -2.091 -13.051 -2.295
200 3HD1 ILE 26 3HD1 ILE 26 -1.009 -12.613 -3.617
201 H GLY 27 H GLY 27 1.712 -15.492 1.098
202 1HA GLY 27 2HA GLY 27 2.208 -17.937 0.889
203 2HA GLY 27 1HA GLY 27 2.043 -17.736 -0.857
204 H GLN 28 H GLN 28 3.593 -15.209 0.918
205 HA GLN 28 HA GLN 28 6.230 -16.065 -0.218
206 1HB GLN 28 2HB GLN 28 4.661 -13.617 -0.228
207 2HB GLN 28 1HB GLN 28 6.266 -13.331 0.446
208 1HG GLN 28 2HG GLN 28 6.411 -15.053 -1.888
209 2HG GLN 28 1HG GLN 28 5.613 -13.528 -2.274
210 1HE2 GLN 28 2HE2 GLN 28 9.560 -13.502 -1.148
211 2HE2 GLN 28 1HE2 GLN 28 8.610 -14.874 -0.842
212 H TYR 29 H TYR 29 5.931 -17.320 2.046
213 HA TYR 29 HA TYR 29 6.648 -15.669 4.384
214 1HB TYR 29 2HB TYR 29 6.281 -17.724 5.584
215 2HB TYR 29 1HB TYR 29 5.039 -17.650 4.334
216 HD1 TYR 29 HD2 TYR 29 8.202 -19.249 5.365
217 HD2 TYR 29 HD1 TYR 29 5.082 -19.140 2.415
218 HE1 TYR 29 HE2 TYR 29 9.012 -21.399 4.430
219 HE2 TYR 29 HE1 TYR 29 5.891 -21.290 1.480
220 HH TYR 29 HH TYR 29 8.482 -22.485 1.596
221 H GLY 30 H GLY 30 8.454 -16.156 1.944
222 1HA GLY 30 2HA GLY 30 10.592 -17.820 2.236
223 2HA GLY 30 1HA GLY 30 10.825 -16.131 1.783
224 H ARG 31 H ARG 31 10.242 -14.766 4.089
225 HA ARG 31 HA ARG 31 11.328 -15.901 6.492
226 1HB ARG 31 2HB ARG 31 13.177 -15.089 4.410
227 2HB ARG 31 1HB ARG 31 13.444 -14.148 5.877
228 1HG ARG 31 2HG ARG 31 13.934 -16.037 7.162
229 2HG ARG 31 1HG ARG 31 13.081 -17.125 6.067
230 1HD ARG 31 2HD ARG 31 15.130 -17.609 5.200
231 2HD ARG 31 1HD ARG 31 15.078 -15.994 4.466
232 HE ARG 31 HE ARG 31 15.868 -15.668 7.169
233 1HH1 ARG 31 1HH2 ARG 31 17.122 -15.489 4.141
234 2HH1 ARG 31 2HH2 ARG 31 18.731 -15.989 4.547
235 1HH2 ARG 31 1HH1 ARG 31 19.165 -16.848 6.592
236 2HH2 ARG 31 2HH1 ARG 31 17.890 -17.008 7.753
237 H LEU 32 H LEU 32 12.363 -12.763 5.239
238 HA LEU 32 HA LEU 32 10.403 -11.466 7.106
239 1HB LEU 32 2HB LEU 32 13.164 -10.470 6.370
240 2HB LEU 32 1HB LEU 32 12.150 -9.950 7.717
241 HG LEU 32 HG LEU 32 12.334 -12.641 8.187
242 1HD1 LEU 32 1HD1 LEU 32 14.174 -12.333 6.219
243 2HD1 LEU 32 3HD1 LEU 32 15.175 -11.986 7.630
244 3HD1 LEU 32 2HD1 LEU 32 14.331 -13.529 7.506
245 1HD2 LEU 32 3HD2 LEU 32 12.717 -10.604 9.694
246 2HD2 LEU 32 2HD2 LEU 32 13.715 -12.018 10.034
247 3HD2 LEU 32 1HD2 LEU 32 14.395 -10.648 9.155
248 H THR 33 H THR 33 10.399 -8.965 6.484
249 HA THR 33 HA THR 33 10.619 -8.403 3.613
250 HB THR 33 HB THR 33 7.880 -7.944 4.514
251 HG1 THR 33 HG1 THR 33 7.503 -10.334 4.308
252 1HG2 THR 33 2HG2 THR 33 9.362 -8.818 2.166
253 2HG2 THR 33 1HG2 THR 33 7.903 -9.778 2.411
254 3HG2 THR 33 3HG2 THR 33 7.789 -8.025 2.262
255 H PHE 34 H PHE 34 11.938 -7.063 5.595
256 HA PHE 34 HA PHE 34 10.725 -4.388 5.468
257 1HB PHE 34 2HB PHE 34 10.372 -4.151 7.822
258 2HB PHE 34 1HB PHE 34 9.654 -5.701 7.380
259 HD1 PHE 34 HD2 PHE 34 11.537 -7.695 7.338
260 HD2 PHE 34 HD1 PHE 34 11.633 -4.157 9.772
261 HE1 PHE 34 HE2 PHE 34 13.032 -8.844 8.952
262 HE2 PHE 34 HE1 PHE 34 13.126 -5.306 11.385
263 HZ PHE 34 HZ PHE 34 13.826 -7.649 10.974
264 H ASN 35 H ASN 35 13.316 -5.688 4.665
265 HA ASN 35 HA ASN 35 15.269 -4.366 6.521
266 1HB ASN 35 2HB ASN 35 15.365 -6.752 5.385
267 2HB ASN 35 1HB ASN 35 15.954 -5.845 3.990
268 1HD2 ASN 35 2HD2 ASN 35 18.880 -4.653 5.896
269 2HD2 ASN 35 1HD2 ASN 35 17.649 -3.976 4.944
270 H LYS 36 H LYS 36 13.635 -3.965 3.577
271 HA LYS 36 HA LYS 36 15.273 -2.369 1.938
272 1HB LYS 36 2HB LYS 36 13.218 -2.123 0.873
273 2HB LYS 36 1HB LYS 36 13.151 -3.647 1.721
274 1HG LYS 36 2HG LYS 36 11.766 -1.058 2.476
275 2HG LYS 36 1HG LYS 36 11.040 -2.629 2.276
276 1HD LYS 36 2HD LYS 36 12.059 -3.432 4.328
277 2HD LYS 36 1HD LYS 36 12.945 -1.921 4.519
278 1HE LYS 36 2HE LYS 36 10.026 -1.589 4.172
279 2HE LYS 36 1HE LYS 36 10.520 -2.390 5.677
280 1HZ LYS 36 2HZ LYS 36 12.134 -0.630 6.047
281 2HZ LYS 36 1HZ LYS 36 11.646 0.149 4.618
282 3HZ LYS 36 3HZ LYS 36 10.570 0.021 5.923
283 H VAL 37 H VAL 37 13.173 -0.447 1.384
284 HA VAL 37 HA VAL 37 13.066 1.606 3.468
285 HB VAL 37 HB VAL 37 15.136 1.426 1.365
286 1HG1 VAL 37 3HG1 VAL 37 13.529 3.145 0.391
287 2HG1 VAL 37 2HG1 VAL 37 13.868 4.140 1.807
288 3HG1 VAL 37 1HG1 VAL 37 15.166 3.725 0.691
289 1HG2 VAL 37 2HG2 VAL 37 15.497 1.626 3.839
290 2HG2 VAL 37 1HG2 VAL 37 16.347 2.851 2.897
291 3HG2 VAL 37 3HG2 VAL 37 14.861 3.269 3.751
292 H ILE 38 H ILE 38 12.102 3.703 2.036
293 HA ILE 38 HA ILE 38 10.418 2.714 -0.209
294 HB ILE 38 HB ILE 38 8.969 2.093 1.503
295 1HG1 ILE 38 2HG1 ILE 38 8.120 4.061 -0.048
296 2HG1 ILE 38 1HG1 ILE 38 7.120 3.470 1.274
297 1HG2 ILE 38 1HG2 ILE 38 10.443 3.001 3.322
298 2HG2 ILE 38 3HG2 ILE 38 9.675 4.572 3.092
299 3HG2 ILE 38 2HG2 ILE 38 8.721 3.192 3.633
300 1HD1 ILE 38 3HD1 ILE 38 8.939 5.548 2.197
301 2HD1 ILE 38 2HD1 ILE 38 7.955 6.116 0.852
302 3HD1 ILE 38 1HD1 ILE 38 7.181 5.477 2.299
303 H ARG 39 H ARG 39 10.501 4.260 -1.718
304 HA ARG 39 HA ARG 39 10.594 7.126 -0.854
305 1HB ARG 39 2HB ARG 39 12.409 5.510 -2.442
306 2HB ARG 39 1HB ARG 39 11.816 6.883 -3.379
307 1HG ARG 39 2HG ARG 39 12.614 7.447 -0.569
308 2HG ARG 39 1HG ARG 39 13.918 7.073 -1.696
309 1HD ARG 39 2HD ARG 39 12.358 8.813 -3.175
310 2HD ARG 39 1HD ARG 39 12.245 9.483 -1.535
311 HE ARG 39 HE ARG 39 14.603 9.554 -3.149
312 1HH1 ARG 39 1HH2 ARG 39 13.392 9.194 0.047
313 2HH1 ARG 39 2HH2 ARG 39 14.937 9.398 0.802
314 1HH2 ARG 39 2HH1 ARG 39 16.669 9.638 -2.192
315 2HH2 ARG 39 1HH1 ARG 39 16.791 9.649 -0.464
316 HA PRO 40 HA PRO 40 8.044 7.036 -4.776
317 1HB PRO 40 2HB PRO 40 8.030 4.848 -6.430
318 2HB PRO 40 1HB PRO 40 9.237 6.143 -6.523
319 1HG PRO 40 2HG PRO 40 9.536 3.403 -5.578
320 2HG PRO 40 1HG PRO 40 10.767 4.569 -6.060
321 1HD PRO 40 2HD PRO 40 9.974 3.832 -3.401
322 2HD PRO 40 1HD PRO 40 11.245 4.964 -3.901
323 H CYS 41 H CYS 41 7.165 6.082 -2.335
324 HA CYS 41 HA CYS 41 5.265 3.863 -2.742
325 1HB CYS 41 2HB CYS 41 6.651 4.984 -0.628
326 2HB CYS 41 1HB CYS 41 5.018 5.589 -0.374
327 HG CYS 41 HG CYS 41 4.233 3.007 -0.552
328 H MET 42 H MET 42 3.153 4.191 -3.427
329 HA MET 42 HA MET 42 2.018 6.953 -3.174
330 1HB MET 42 2HB MET 42 2.393 5.150 -5.531
331 2HB MET 42 1HB MET 42 0.954 6.171 -5.494
332 1HG MET 42 2HG MET 42 2.451 8.143 -5.045
333 2HG MET 42 1HG MET 42 3.838 7.084 -5.302
334 1HE MET 42 2HE MET 42 3.583 5.317 -6.969
335 2HE MET 42 1HE MET 42 2.713 5.393 -8.498
336 3HE MET 42 3HE MET 42 4.324 6.110 -8.356
337 H LYS 43 H LYS 43 -0.402 6.959 -3.262
338 HA LYS 43 HA LYS 43 -1.599 4.311 -2.492
339 1HB LYS 43 2HB LYS 43 -1.110 5.922 -0.595
340 2HB LYS 43 1HB LYS 43 -2.264 7.033 -1.332
341 1HG LYS 43 2HG LYS 43 -3.796 4.832 -1.304
342 2HG LYS 43 1HG LYS 43 -2.753 4.446 0.065
343 1HD LYS 43 2HD LYS 43 -4.486 5.649 1.085
344 2HD LYS 43 1HD LYS 43 -3.266 6.895 0.823
345 1HE LYS 43 2HE LYS 43 -4.461 7.294 -1.456
346 2HE LYS 43 1HE LYS 43 -5.815 6.411 -0.720
347 1HZ LYS 43 1HZ LYS 43 -5.392 7.920 1.282
348 2HZ LYS 43 3HZ LYS 43 -4.523 8.902 0.208
349 3HZ LYS 43 2HZ LYS 43 -6.173 8.602 -0.064
350 H LYS 44 H LYS 44 -3.896 4.124 -3.030
351 HA LYS 44 HA LYS 44 -5.160 6.252 -4.630
352 1HB LYS 44 2HB LYS 44 -3.488 4.318 -5.819
353 2HB LYS 44 1HB LYS 44 -5.135 3.808 -6.190
354 1HG LYS 44 2HG LYS 44 -5.435 6.403 -6.717
355 2HG LYS 44 1HG LYS 44 -3.696 6.300 -6.993
356 1HD LYS 44 2HD LYS 44 -4.173 5.511 -9.051
357 2HD LYS 44 1HD LYS 44 -4.737 4.036 -8.264
358 1HE LYS 44 2HE LYS 44 -6.995 5.231 -7.969
359 2HE LYS 44 1HE LYS 44 -6.381 6.427 -9.129
360 1HZ LYS 44 3HZ LYS 44 -5.925 3.647 -9.825
361 2HZ LYS 44 2HZ LYS 44 -7.550 4.141 -9.863
362 3HZ LYS 44 1HZ LYS 44 -6.391 4.947 -10.810
363 H THR 45 H THR 45 -7.186 6.185 -3.720
364 HA THR 45 HA THR 45 -8.445 3.487 -3.315
365 HB THR 45 HB THR 45 -8.581 6.071 -1.740
366 HG1 THR 45 HG1 THR 45 -8.162 3.616 -0.556
367 1HG2 THR 45 3HG2 THR 45 -10.836 4.810 -2.101
368 2HG2 THR 45 2HG2 THR 45 -10.138 3.587 -1.043
369 3HG2 THR 45 1HG2 THR 45 -10.366 5.232 -0.456
370 H ILE 46 H ILE 46 -10.727 3.377 -3.751
371 HA ILE 46 HA ILE 46 -11.806 5.640 -5.408
372 HB ILE 46 HB ILE 46 -11.245 3.719 -6.795
373 1HG1 ILE 46 2HG1 ILE 46 -14.000 2.956 -6.756
374 2HG1 ILE 46 1HG1 ILE 46 -13.912 4.677 -6.380
375 1HG2 ILE 46 1HG2 ILE 46 -12.773 2.178 -4.680
376 2HG2 ILE 46 3HG2 ILE 46 -12.303 1.492 -6.235
377 3HG2 ILE 46 2HG2 ILE 46 -11.067 2.014 -5.091
378 1HD1 ILE 46 1HD1 ILE 46 -12.304 4.865 -8.374
379 2HD1 ILE 46 3HD1 ILE 46 -12.851 3.249 -8.821
380 3HD1 ILE 46 2HD1 ILE 46 -14.003 4.583 -8.751
381 H TYR 47 H TYR 47 -12.403 6.029 -2.944
382 HA TYR 47 HA TYR 47 -14.786 4.459 -2.164
383 1HB TYR 47 2HB TYR 47 -14.339 5.312 0.035
384 2HB TYR 47 1HB TYR 47 -12.780 4.876 -0.663
385 HD1 TYR 47 HD2 TYR 47 -11.281 6.645 -1.586
386 HD2 TYR 47 HD1 TYR 47 -14.905 7.599 0.512
387 HE1 TYR 47 HE2 TYR 47 -10.496 8.979 -1.293
388 HE2 TYR 47 HE1 TYR 47 -14.121 9.933 0.805
389 HH TYR 47 HH TYR 47 -12.417 11.481 -0.548
390 H GLU 48 H GLU 48 -16.391 5.962 -0.834
391 HA GLU 48 HA GLU 48 -17.658 7.716 -2.741
392 1HB GLU 48 2HB GLU 48 -18.860 6.402 -1.057
393 2HB GLU 48 1HB GLU 48 -18.051 7.292 0.232
394 1HG GLU 48 2HG GLU 48 -20.213 8.298 -0.035
395 2HG GLU 48 1HG GLU 48 -19.049 9.409 -0.758
396 H ASN 49 H ASN 49 -17.427 9.027 0.458
397 HA ASN 49 HA ASN 49 -15.302 10.947 -0.226
398 1HB ASN 49 2HB ASN 49 -18.084 11.389 -0.877
399 2HB ASN 49 1HB ASN 49 -17.537 12.600 0.283
400 1HD2 ASN 49 2HD2 ASN 49 -15.087 13.991 -1.968
401 2HD2 ASN 49 1HD2 ASN 49 -15.387 13.714 -0.321
402 H GLU 50 H GLU 50 -18.245 10.906 1.805
403 HA GLU 50 HA GLU 50 -16.571 10.812 4.251
404 1HB GLU 50 2HB GLU 50 -17.617 13.206 3.063
405 2HB GLU 50 1HB GLU 50 -18.474 12.920 4.578
406 1HG GLU 50 2HG GLU 50 -16.686 13.731 5.677
407 2HG GLU 50 1HG GLU 50 -15.762 12.342 5.107
408 H ARG 51 H ARG 51 -18.950 9.481 2.649
409 HA ARG 51 HA ARG 51 -20.741 9.172 5.030
410 1HB ARG 51 2HB ARG 51 -21.744 10.396 3.122
411 2HB ARG 51 1HB ARG 51 -21.370 9.036 2.061
412 1HG ARG 51 2HG ARG 51 -22.818 7.568 3.375
413 2HG ARG 51 1HG ARG 51 -23.143 8.874 4.516
414 1HD ARG 51 2HD ARG 51 -23.704 9.874 1.898
415 2HD ARG 51 1HD ARG 51 -24.520 8.307 2.071
416 HE ARG 51 HE ARG 51 -25.370 10.654 3.390
417 1HH1 ARG 51 1HH1 ARG 51 -26.040 7.245 5.218
418 2HH1 ARG 51 2HH1 ARG 51 -25.538 7.315 3.562
419 1HH2 ARG 51 1HH2 ARG 51 -25.537 10.627 5.792
420 2HH2 ARG 51 2HH2 ARG 51 -26.040 9.119 6.481
421 H GLU 52 H GLU 52 -18.827 7.627 2.521
422 HA GLU 52 HA GLU 52 -19.083 5.056 3.934
423 1HB GLU 52 2HB GLU 52 -20.112 3.914 1.967
424 2HB GLU 52 1HB GLU 52 -21.171 5.139 2.667
425 1HG GLU 52 2HG GLU 52 -19.925 6.703 0.905
426 2HG GLU 52 1HG GLU 52 -19.696 5.167 0.069
427 H ILE 53 H ILE 53 -17.828 3.312 2.750
428 HA ILE 53 HA ILE 53 -15.595 4.501 1.135
429 HB ILE 53 HB ILE 53 -15.427 2.145 3.031
430 1HG1 ILE 53 2HG1 ILE 53 -16.233 4.166 4.248
431 2HG1 ILE 53 1HG1 ILE 53 -14.602 3.705 4.736
432 1HG2 ILE 53 2HG2 ILE 53 -13.389 4.063 1.858
433 2HG2 ILE 53 1HG2 ILE 53 -13.019 2.803 3.035
434 3HG2 ILE 53 3HG2 ILE 53 -13.596 2.366 1.427
435 1HD1 ILE 53 2HD1 ILE 53 -13.718 5.370 3.062
436 2HD1 ILE 53 1HD1 ILE 53 -15.376 5.915 2.814
437 3HD1 ILE 53 3HD1 ILE 53 -14.616 6.097 4.395
438 H LYS 54 H LYS 54 -15.204 3.436 -0.797
439 HA LYS 54 HA LYS 54 -16.845 1.006 -1.355
440 1HB LYS 54 2HB LYS 54 -16.122 3.420 -2.766
441 2HB LYS 54 1HB LYS 54 -15.723 1.995 -3.722
442 1HG LYS 54 2HG LYS 54 -17.915 2.068 -4.317
443 2HG LYS 54 1HG LYS 54 -18.180 1.306 -2.748
444 1HD LYS 54 2HD LYS 54 -19.581 3.103 -2.465
445 2HD LYS 54 1HD LYS 54 -18.080 3.881 -1.962
446 1HE LYS 54 2HE LYS 54 -18.709 5.421 -3.564
447 2HE LYS 54 1HE LYS 54 -17.925 4.259 -4.654
448 1HZ LYS 54 1HZ LYS 54 -20.186 3.073 -4.576
449 2HZ LYS 54 3HZ LYS 54 -20.794 4.559 -4.029
450 3HZ LYS 54 2HZ LYS 54 -20.041 4.459 -5.549
451 H GLY 55 H GLY 55 -13.557 2.236 -2.309
452 1HA GLY 55 2HA GLY 55 -12.561 -0.522 -1.844
453 2HA GLY 55 1HA GLY 55 -12.401 0.124 -3.476
454 H TYR 56 H TYR 56 -10.567 -0.444 -0.940
455 HA TYR 56 HA TYR 56 -9.019 2.109 -1.210
456 1HB TYR 56 2HB TYR 56 -10.093 1.627 1.014
457 2HB TYR 56 1HB TYR 56 -9.116 0.162 1.115
458 HD1 TYR 56 HD2 TYR 56 -6.535 0.462 0.799
459 HD2 TYR 56 HD1 TYR 56 -9.227 3.653 1.813
460 HE1 TYR 56 HE2 TYR 56 -4.632 1.789 1.674
461 HE2 TYR 56 HE1 TYR 56 -7.323 4.980 2.688
462 HH TYR 56 HH TYR 56 -4.818 4.164 3.682
463 H GLU 57 H GLU 57 -7.545 1.469 -2.806
464 HA GLU 57 HA GLU 57 -5.856 -0.922 -2.158
465 1HB GLU 57 2HB GLU 57 -7.165 -1.404 -4.104
466 2HB GLU 57 1HB GLU 57 -6.905 0.213 -4.762
467 1HG GLU 57 2HG GLU 57 -4.549 -0.258 -5.128
468 2HG GLU 57 1HG GLU 57 -4.703 -1.826 -4.334
469 H TYR 58 H TYR 58 -3.586 -0.619 -3.338
470 HA TYR 58 HA TYR 58 -2.815 2.201 -3.710
471 1HB TYR 58 2HB TYR 58 -1.894 2.601 -1.668
472 2HB TYR 58 1HB TYR 58 -3.032 1.364 -1.156
473 HD1 TYR 58 HD1 TYR 58 -1.589 -1.088 -2.335
474 HD2 TYR 58 HD2 TYR 58 -0.130 2.294 -0.120
475 HE1 TYR 58 HE1 TYR 58 0.270 -2.453 -1.449
476 HE2 TYR 58 HE2 TYR 58 1.721 0.923 0.759
477 HH TYR 58 HH TYR 58 2.074 -1.649 1.158
478 H GLN 59 H GLN 59 -0.394 2.430 -3.857
479 HA GLN 59 HA GLN 59 0.915 -0.002 -5.005
480 1HB GLN 59 2HB GLN 59 1.957 1.769 -6.596
481 2HB GLN 59 1HB GLN 59 0.273 1.328 -6.879
482 1HG GLN 59 2HG GLN 59 -0.474 3.297 -5.613
483 2HG GLN 59 1HG GLN 59 1.202 3.731 -5.280
484 1HE2 GLN 59 1HE2 GLN 59 0.386 2.365 -8.420
485 2HE2 GLN 59 2HE2 GLN 59 0.556 3.806 -9.299
486 H LEU 60 H LEU 60 2.793 -0.370 -3.871
487 HA LEU 60 HA LEU 60 4.040 1.931 -2.412
488 1HB LEU 60 2HB LEU 60 3.026 0.327 -0.925
489 2HB LEU 60 1HB LEU 60 3.723 -1.024 -1.806
490 HG LEU 60 HG LEU 60 5.828 0.752 -0.969
491 1HD1 LEU 60 3HD1 LEU 60 3.917 1.210 0.775
492 2HD1 LEU 60 2HD1 LEU 60 4.325 -0.398 1.373
493 3HD1 LEU 60 1HD1 LEU 60 5.547 0.874 1.359
494 1HD2 LEU 60 1HD2 LEU 60 5.644 -1.826 -1.474
495 2HD2 LEU 60 3HD2 LEU 60 6.789 -1.257 -0.264
496 3HD2 LEU 60 2HD2 LEU 60 5.243 -1.935 0.239
497 H TYR 61 H TYR 61 5.112 2.147 -4.636
498 HA TYR 61 HA TYR 61 6.931 0.105 -5.539
499 1HB TYR 61 2HB TYR 61 5.736 2.065 -6.710
500 2HB TYR 61 1HB TYR 61 7.051 3.057 -6.087
501 HD1 TYR 61 HD2 TYR 61 9.421 1.437 -6.299
502 HD2 TYR 61 HD1 TYR 61 6.073 1.666 -8.980
503 HE1 TYR 61 HE2 TYR 61 10.865 0.677 -8.168
504 HE2 TYR 61 HE1 TYR 61 7.516 0.906 -10.848
505 HH TYR 61 HH TYR 61 9.634 0.521 -11.492
506 H VAL 62 H VAL 62 8.539 -0.495 -4.136
507 HA VAL 62 HA VAL 62 10.643 1.416 -3.379
508 HB VAL 62 HB VAL 62 10.336 1.096 -0.983
509 1HG1 VAL 62 2HG1 VAL 62 9.000 2.907 -2.106
510 2HG1 VAL 62 1HG1 VAL 62 7.629 1.796 -2.133
511 3HG1 VAL 62 3HG1 VAL 62 8.308 2.319 -0.597
512 1HG2 VAL 62 3HG2 VAL 62 8.116 -0.743 -1.863
513 2HG2 VAL 62 2HG2 VAL 62 9.498 -1.112 -0.830
514 3HG2 VAL 62 1HG2 VAL 62 8.198 -0.085 -0.230
515 H TYR 63 H TYR 63 11.312 -0.436 -1.190
516 HA TYR 63 HA TYR 63 11.866 -2.967 -2.659
517 1HB TYR 63 2HB TYR 63 13.868 -1.601 -2.839
518 2HB TYR 63 1HB TYR 63 13.784 -1.181 -1.128
519 HD1 TYR 63 HD1 TYR 63 13.519 -4.399 -3.048
520 HD2 TYR 63 HD2 TYR 63 15.473 -2.216 0.092
521 HE1 TYR 63 HE1 TYR 63 14.848 -6.413 -2.476
522 HE2 TYR 63 HE2 TYR 63 16.803 -4.230 0.662
523 HH TYR 63 HH TYR 63 17.523 -6.281 -0.269
524 H ALA 64 H ALA 64 12.310 -4.759 -1.025
525 HA ALA 64 HA ALA 64 11.407 -4.174 1.778
526 1HB ALA 64 2HB ALA 64 9.638 -5.124 0.096
527 2HB ALA 64 1HB ALA 64 10.531 -6.631 0.281
528 3HB ALA 64 3HB ALA 64 9.780 -5.871 1.683
529 H SER 65 H SER 65 11.459 -7.223 2.064
530 HA SER 65 HA SER 65 14.352 -7.426 2.606
531 1HB SER 65 2HB SER 65 12.539 -8.197 4.182
532 2HB SER 65 1HB SER 65 12.075 -9.407 2.989
533 HG SER 65 HG SER 65 14.662 -9.135 4.133
534 H ASP 66 H ASP 66 12.359 -7.846 -0.024
535 HA ASP 66 HA ASP 66 14.273 -9.144 -1.688
536 1HB ASP 66 2HB ASP 66 13.012 -10.860 0.113
537 2HB ASP 66 1HB ASP 66 12.108 -11.095 -1.384
538 H LYS 67 H LYS 67 12.257 -6.973 -1.677
539 HA LYS 67 HA LYS 67 10.644 -7.775 -4.090
540 1HB LYS 67 2HB LYS 67 8.975 -7.606 -2.540
541 2HB LYS 67 1HB LYS 67 9.934 -6.597 -1.467
542 1HG LYS 67 2HG LYS 67 9.243 -5.228 -3.967
543 2HG LYS 67 1HG LYS 67 7.830 -5.720 -3.045
544 1HD LYS 67 2HD LYS 67 8.477 -4.488 -1.159
545 2HD LYS 67 1HD LYS 67 10.145 -4.337 -1.719
546 1HE LYS 67 2HE LYS 67 9.323 -2.245 -2.290
547 2HE LYS 67 1HE LYS 67 8.935 -3.123 -3.779
548 1HZ LYS 67 1HZ LYS 67 7.138 -2.943 -1.432
549 2HZ LYS 67 3HZ LYS 67 7.003 -1.940 -2.794
550 3HZ LYS 67 2HZ LYS 67 6.775 -3.618 -2.945
551 H LEU 68 H LEU 68 12.164 -6.765 -5.505
552 HA LEU 68 HA LEU 68 12.956 -3.945 -5.086
553 1HB LEU 68 2HB LEU 68 13.663 -6.256 -6.782
554 2HB LEU 68 1HB LEU 68 13.767 -4.699 -7.601
555 HG LEU 68 HG LEU 68 15.919 -5.131 -6.610
556 1HD1 LEU 68 2HD1 LEU 68 14.404 -2.881 -6.051
557 2HD1 LEU 68 1HD1 LEU 68 15.018 -3.346 -4.465
558 3HD1 LEU 68 3HD1 LEU 68 16.141 -3.034 -5.788
559 1HD2 LEU 68 1HD2 LEU 68 14.290 -5.750 -4.140
560 2HD2 LEU 68 3HD2 LEU 68 15.418 -6.807 -4.989
561 3HD2 LEU 68 2HD2 LEU 68 16.023 -5.429 -4.068
562 H PHE 69 H PHE 69 10.498 -3.256 -5.230
563 HA PHE 69 HA PHE 69 9.998 -1.972 -7.675
564 1HB PHE 69 2HB PHE 69 8.050 -3.697 -8.324
565 2HB PHE 69 1HB PHE 69 9.670 -3.828 -8.964
566 HD1 PHE 69 HD2 PHE 69 8.102 -4.772 -5.666
567 HD2 PHE 69 HD1 PHE 69 10.371 -6.026 -9.092
568 HE1 PHE 69 HE2 PHE 69 8.361 -7.028 -4.673
569 HE2 PHE 69 HE1 PHE 69 10.635 -8.279 -8.092
570 HZ PHE 69 HZ PHE 69 9.629 -8.779 -5.882
571 H ARG 70 H ARG 70 7.126 -3.688 -6.779
572 HA ARG 70 HA ARG 70 6.440 -1.527 -4.824
573 1HB ARG 70 2HB ARG 70 5.679 -0.885 -7.057
574 2HB ARG 70 1HB ARG 70 4.867 -2.439 -7.240
575 1HG ARG 70 2HG ARG 70 3.495 -1.837 -5.153
576 2HG ARG 70 1HG ARG 70 4.144 -0.202 -5.300
577 1HD ARG 70 2HD ARG 70 2.512 -1.692 -7.388
578 2HD ARG 70 1HD ARG 70 2.019 -0.255 -6.473
579 HE ARG 70 HE ARG 70 4.092 0.847 -7.574
580 1HH1 ARG 70 1HH2 ARG 70 5.209 -1.098 -9.288
581 2HH1 ARG 70 2HH2 ARG 70 4.323 -0.973 -10.771
582 1HH2 ARG 70 2HH1 ARG 70 1.668 0.746 -9.348
583 2HH2 ARG 70 1HH1 ARG 70 2.318 0.072 -10.805
584 H ALA 71 H ALA 71 4.917 -2.064 -3.303
585 HA ALA 71 HA ALA 71 4.046 -4.923 -3.208
586 1HB ALA 71 3HB ALA 71 5.504 -3.812 -1.368
587 2HB ALA 71 2HB ALA 71 4.056 -2.897 -0.955
588 3HB ALA 71 1HB ALA 71 4.054 -4.656 -0.830
589 H ASP 72 H ASP 72 2.045 -4.810 -4.306
590 HA ASP 72 HA ASP 72 0.317 -2.459 -4.000
591 1HB ASP 72 2HB ASP 72 0.780 -4.399 -5.907
592 2HB ASP 72 1HB ASP 72 -0.763 -4.913 -5.221
593 H ILE 73 H ILE 73 -1.945 -2.686 -3.238
594 HA ILE 73 HA ILE 73 -2.689 -5.039 -1.690
595 HB ILE 73 HB ILE 73 -0.965 -3.357 -0.432
596 1HG1 ILE 73 2HG1 ILE 73 -1.886 -5.604 0.271
597 2HG1 ILE 73 1HG1 ILE 73 -1.614 -4.471 1.594
598 1HG2 ILE 73 3HG2 ILE 73 -2.699 -1.509 -0.511
599 2HG2 ILE 73 2HG2 ILE 73 -3.691 -2.493 0.562
600 3HG2 ILE 73 1HG2 ILE 73 -2.117 -1.910 1.104
601 1HD1 ILE 73 2HD1 ILE 73 -4.296 -4.589 0.238
602 2HD1 ILE 73 1HD1 ILE 73 -3.885 -5.759 1.492
603 3HD1 ILE 73 3HD1 ILE 73 -3.901 -4.034 1.864
604 H SER 74 H SER 74 -4.741 -5.133 -2.455
605 HA SER 74 HA SER 74 -6.346 -2.613 -2.570
606 1HB SER 74 2HB SER 74 -5.868 -4.371 -4.516
607 2HB SER 74 1HB SER 74 -7.185 -5.250 -3.744
608 HG SER 74 HG SER 74 -8.529 -3.542 -4.107
609 H GLU 75 H GLU 75 -8.591 -2.763 -1.639
610 HA GLU 75 HA GLU 75 -9.171 -5.173 -0.016
611 1HB GLU 75 2HB GLU 75 -8.473 -2.450 1.088
612 2HB GLU 75 1HB GLU 75 -9.355 -3.647 2.037
613 1HG GLU 75 2HG GLU 75 -7.454 -5.275 1.431
614 2HG GLU 75 1HG GLU 75 -6.557 -3.844 0.921
615 H ASP 76 H ASP 76 -11.216 -5.483 -0.871
616 HA ASP 76 HA ASP 76 -13.134 -3.746 -1.790
617 1HB ASP 76 2HB ASP 76 -14.697 -5.464 -1.195
618 2HB ASP 76 1HB ASP 76 -13.156 -6.291 -1.408
619 H TYR 77 H TYR 77 -15.080 -2.770 -0.738
620 HA TYR 77 HA TYR 77 -14.833 -2.184 2.165
621 1HB TYR 77 2HB TYR 77 -13.892 -0.472 0.101
622 2HB TYR 77 1HB TYR 77 -15.364 0.263 0.735
623 HD1 TYR 77 HD1 TYR 77 -15.481 -0.244 3.497
624 HD2 TYR 77 HD2 TYR 77 -11.975 0.389 1.097
625 HE1 TYR 77 HE1 TYR 77 -14.238 0.499 5.510
626 HE2 TYR 77 HE2 TYR 77 -10.731 1.133 3.109
627 HH TYR 77 HH TYR 77 -11.007 1.863 5.274
628 H LYS 78 H LYS 78 -16.654 -0.596 -0.463
629 HA LYS 78 HA LYS 78 -19.178 -1.621 0.799
630 1HB LYS 78 2HB LYS 78 -18.917 0.790 1.034
631 2HB LYS 78 1HB LYS 78 -18.548 0.954 -0.683
632 1HG LYS 78 2HG LYS 78 -20.790 1.469 -0.755
633 2HG LYS 78 1HG LYS 78 -20.908 -0.284 -0.912
634 1HD LYS 78 2HD LYS 78 -21.131 -0.431 1.585
635 2HD LYS 78 1HD LYS 78 -21.195 1.331 1.635
636 1HE LYS 78 2HE LYS 78 -23.201 1.321 0.202
637 2HE LYS 78 1HE LYS 78 -23.134 -0.451 0.115
638 1HZ LYS 78 1HZ LYS 78 -23.299 1.124 2.631
639 2HZ LYS 78 3HZ LYS 78 -24.609 0.332 1.902
640 3HZ LYS 78 2HZ LYS 78 -23.301 -0.571 2.502
641 H THR 79 H THR 79 -17.438 -0.945 -2.208
642 HA THR 79 HA THR 79 -19.582 -2.089 -3.886
643 HB THR 79 HB THR 79 -17.575 -1.736 -5.580
644 HG1 THR 79 HG1 THR 79 -16.805 0.111 -3.623
645 1HG2 THR 79 1HG2 THR 79 -19.097 0.455 -4.157
646 2HG2 THR 79 3HG2 THR 79 -18.140 0.735 -5.612
647 3HG2 THR 79 2HG2 THR 79 -19.529 -0.351 -5.666
648 H ARG 80 H ARG 80 -17.502 -3.433 -1.803
649 HA ARG 80 HA ARG 80 -16.699 -5.621 -1.542
650 1HB ARG 80 2HB ARG 80 -18.023 -6.140 -4.217
651 2HB ARG 80 1HB ARG 80 -17.746 -7.289 -2.909
652 1HG ARG 80 2HG ARG 80 -19.719 -6.747 -1.979
653 2HG ARG 80 1HG ARG 80 -19.225 -5.058 -1.871
654 1HD ARG 80 2HD ARG 80 -19.860 -4.865 -4.355
655 2HD ARG 80 1HD ARG 80 -20.668 -6.432 -4.150
656 HE ARG 80 HE ARG 80 -21.296 -4.103 -2.374
657 1HH1 ARG 80 1HH2 ARG 80 -22.696 -6.374 -1.431
658 2HH1 ARG 80 2HH2 ARG 80 -24.148 -6.440 -2.373
659 1HH2 ARG 80 2HH1 ARG 80 -22.944 -4.351 -4.865
660 2HH2 ARG 80 1HH1 ARG 80 -24.289 -5.295 -4.316
661 H GLY 81 H GLY 81 -14.825 -3.852 -2.485
662 1HA GLY 81 2HA GLY 81 -13.597 -4.514 -4.980
663 2HA GLY 81 1HA GLY 81 -12.753 -3.794 -3.606
664 H ARG 82 H ARG 82 -11.120 -5.099 -2.773
665 HA ARG 82 HA ARG 82 -11.602 -7.896 -2.221
666 1HB ARG 82 2HB ARG 82 -10.390 -8.892 -3.989
667 2HB ARG 82 1HB ARG 82 -11.419 -7.683 -4.755
668 1HG ARG 82 2HG ARG 82 -9.495 -6.079 -4.680
669 2HG ARG 82 1HG ARG 82 -8.480 -7.388 -4.075
670 1HD ARG 82 2HD ARG 82 -9.980 -7.426 -6.721
671 2HD ARG 82 1HD ARG 82 -8.234 -7.172 -6.529
672 HE ARG 82 HE ARG 82 -8.142 -9.451 -5.478
673 1HH1 ARG 82 1HH2 ARG 82 -10.409 -10.690 -4.832
674 2HH1 ARG 82 2HH2 ARG 82 -11.117 -11.353 -6.268
675 1HH2 ARG 82 2HH1 ARG 82 -9.260 -9.367 -8.419
676 2HH2 ARG 82 1HH1 ARG 82 -10.467 -10.603 -8.298
677 H LYS 83 H LYS 83 -9.757 -8.962 -1.257
678 HA LYS 83 HA LYS 83 -7.705 -7.062 -0.202
679 1HB LYS 83 2HB LYS 83 -9.405 -8.744 1.073
680 2HB LYS 83 1HB LYS 83 -8.038 -9.833 0.838
681 1HG LYS 83 2HG LYS 83 -6.769 -7.560 1.681
682 2HG LYS 83 1HG LYS 83 -8.279 -7.470 2.589
683 1HD LYS 83 2HD LYS 83 -6.582 -8.725 3.858
684 2HD LYS 83 1HD LYS 83 -7.923 -9.778 3.403
685 1HE LYS 83 2HE LYS 83 -5.916 -9.748 1.304
686 2HE LYS 83 1HE LYS 83 -5.201 -10.229 2.855
687 1HZ LYS 83 2HZ LYS 83 -7.841 -11.278 2.102
688 2HZ LYS 83 1HZ LYS 83 -6.455 -11.982 1.414
689 3HZ LYS 83 3HZ LYS 83 -6.653 -11.972 3.098
690 H LEU 84 H LEU 84 -5.747 -7.199 -1.287
691 HA LEU 84 HA LEU 84 -4.464 -9.766 -1.770
692 1HB LEU 84 2HB LEU 84 -6.399 -9.110 -3.567
693 2HB LEU 84 1HB LEU 84 -5.004 -8.334 -4.316
694 HG LEU 84 HG LEU 84 -5.149 -10.585 -5.175
695 1HD1 LEU 84 3HD1 LEU 84 -2.902 -9.542 -4.184
696 2HD1 LEU 84 2HD1 LEU 84 -3.022 -10.933 -3.107
697 3HD1 LEU 84 1HD1 LEU 84 -2.940 -11.173 -4.852
698 1HD2 LEU 84 1HD2 LEU 84 -6.449 -11.303 -3.001
699 2HD2 LEU 84 3HD2 LEU 84 -5.479 -12.494 -3.867
700 3HD2 LEU 84 2HD2 LEU 84 -4.841 -11.728 -2.412
701 H LEU 85 H LEU 85 -2.247 -9.450 -2.269
702 HA LEU 85 HA LEU 85 -1.381 -6.658 -2.847
703 1HB LEU 85 2HB LEU 85 -0.568 -6.464 -0.743
704 2HB LEU 85 1HB LEU 85 -1.253 -8.036 -0.361
705 HG LEU 85 HG LEU 85 1.432 -7.758 -1.716
706 1HD1 LEU 85 1HD1 LEU 85 0.791 -6.879 0.885
707 2HD1 LEU 85 3HD1 LEU 85 1.565 -8.449 1.092
708 3HD1 LEU 85 2HD1 LEU 85 2.403 -7.159 0.229
709 1HD2 LEU 85 3HD2 LEU 85 -0.288 -9.913 -1.029
710 2HD2 LEU 85 2HD2 LEU 85 1.343 -10.004 -1.689
711 3HD2 LEU 85 1HD2 LEU 85 1.098 -9.992 0.056
712 H ARG 86 H ARG 86 0.830 -6.587 -3.798
713 HA ARG 86 HA ARG 86 1.841 -9.226 -4.777
714 1HB ARG 86 2HB ARG 86 1.589 -6.907 -6.670
715 2HB ARG 86 1HB ARG 86 1.584 -8.634 -7.022
716 1HG ARG 86 2HG ARG 86 -0.651 -8.751 -5.807
717 2HG ARG 86 1HG ARG 86 -0.650 -6.987 -5.817
718 1HD ARG 86 2HD ARG 86 -1.273 -6.923 -7.999
719 2HD ARG 86 1HD ARG 86 -0.024 -8.099 -8.455
720 HE ARG 86 HE ARG 86 -1.918 -9.588 -7.049
721 1HH1 ARG 86 1HH2 ARG 86 -3.935 -7.691 -8.166
722 2HH1 ARG 86 2HH2 ARG 86 -4.329 -8.425 -9.686
723 1HH2 ARG 86 2HH1 ARG 86 -1.535 -10.477 -9.724
724 2HH2 ARG 86 1HH1 ARG 86 -2.971 -10.001 -10.567
725 H PHE 87 H PHE 87 4.064 -9.230 -5.249
726 HA PHE 87 HA PHE 87 5.592 -6.725 -4.566
727 1HB PHE 87 2HB PHE 87 6.557 -9.577 -4.276
728 2HB PHE 87 1HB PHE 87 7.165 -8.131 -3.469
729 HD1 PHE 87 HD1 PHE 87 5.840 -7.045 -1.663
730 HD2 PHE 87 HD2 PHE 87 4.627 -10.757 -3.452
731 HE1 PHE 87 HE1 PHE 87 4.256 -7.433 0.201
732 HE2 PHE 87 HE2 PHE 87 3.043 -11.144 -1.585
733 HZ PHE 87 HZ PHE 87 2.865 -9.467 0.240
734 H ASN 88 H ASN 88 5.580 -6.163 -6.936
735 HA ASN 88 HA ASN 88 7.873 -7.343 -8.269
736 1HB ASN 88 2HB ASN 88 6.173 -7.967 -10.264
737 2HB ASN 88 1HB ASN 88 6.731 -9.125 -9.060
738 1HD2 ASN 88 2HD2 ASN 88 2.820 -8.012 -9.129
739 2HD2 ASN 88 1HD2 ASN 88 3.940 -7.367 -10.230
740 H GLY 89 H GLY 89 7.418 -6.736 -10.862
741 1HA GLY 89 2HA GLY 89 7.035 -4.927 -12.378
742 2HA GLY 89 1HA GLY 89 6.389 -3.971 -11.027
743 HA PRO 90 HA PRO 90 11.057 -4.258 -10.052
744 1HB PRO 90 2HB PRO 90 12.654 -5.423 -11.964
745 2HB PRO 90 1HB PRO 90 11.931 -6.305 -10.601
746 1HG PRO 90 2HG PRO 90 10.950 -6.057 -13.418
747 2HG PRO 90 1HG PRO 90 11.069 -7.501 -12.392
748 1HD PRO 90 2HD PRO 90 8.731 -6.261 -12.718
749 2HD PRO 90 1HD PRO 90 9.202 -6.926 -11.134
750 H VAL 91 HN VAL 91 12.649 -2.660 -10.588
751 HA VAL 91 HA VAL 91 11.859 -0.653 -12.487
752 HB VAL 91 HB VAL 91 14.066 0.295 -11.721
753 1HG1 VAL 91 2HG1 VAL 91 11.850 -0.601 -9.972
754 2HG1 VAL 91 1HG1 VAL 91 13.314 -0.070 -9.145
755 3HG1 VAL 91 3HG1 VAL 91 12.478 1.025 -10.246
756 1HG2 VAL 91 1HG2 VAL 91 14.665 -2.388 -11.275
757 2HG2 VAL 91 3HG2 VAL 91 15.628 -1.012 -10.739
758 3HG2 VAL 91 2HG2 VAL 91 14.436 -1.729 -9.654
No H/Q in entry = 758
Start of MODEL 17
1 1H GLY 1 3H GLY 1 -12.214 8.381 -8.861
2 2H GLY 1 2H GLY 1 -11.832 7.272 -10.091
3 3H GLY 1 1H GLY 1 -13.044 6.904 -8.958
4 1HA GLY 1 2HA GLY 1 -11.601 6.250 -7.387
5 2HA GLY 1 1HA GLY 1 -10.539 6.016 -8.777
6 H GLU 2 H GLU 2 -10.012 6.913 -5.913
7 HA GLU 2 HA GLU 2 -8.751 9.567 -6.509
8 1HB GLU 2 2HB GLU 2 -9.578 8.178 -3.941
9 2HB GLU 2 1HB GLU 2 -8.750 9.735 -3.995
10 1HG GLU 2 2HG GLU 2 -11.316 9.251 -5.513
11 2HG GLU 2 1HG GLU 2 -11.319 9.792 -3.833
12 H TRP 3 H TRP 3 -6.521 9.833 -6.048
13 HA TRP 3 HA TRP 3 -5.021 7.401 -5.155
14 1HB TRP 3 2HB TRP 3 -3.403 7.929 -7.014
15 2HB TRP 3 1HB TRP 3 -5.002 7.450 -7.587
16 HD1 TRP 3 HD1 TRP 3 -6.512 9.275 -8.729
17 HE1 TRP 3 HE1 TRP 3 -6.015 11.634 -9.644
18 HE3 TRP 3 HE3 TRP 3 -1.929 10.089 -6.629
19 HZ2 TRP 3 HZ2 TRP 3 -3.948 13.606 -9.503
20 HZ3 TRP 3 HZ3 TRP 3 -0.720 12.214 -7.035
21 HH2 TRP 3 HH2 TRP 3 -1.722 13.972 -8.468
22 H GLU 4 H GLU 4 -2.816 7.957 -4.375
23 HA GLU 4 HA GLU 4 -1.987 10.714 -4.043
24 1HB GLU 4 2HB GLU 4 -2.382 10.601 -1.489
25 2HB GLU 4 1HB GLU 4 -3.794 10.882 -2.508
26 1HG GLU 4 2HG GLU 4 -3.104 8.041 -1.975
27 2HG GLU 4 1HG GLU 4 -3.724 8.966 -0.607
28 H ILE 5 H ILE 5 -0.140 10.789 -2.332
29 HA ILE 5 HA ILE 5 1.335 8.180 -2.395
30 HB ILE 5 HB ILE 5 2.589 9.542 -3.769
31 1HG1 ILE 5 2HG1 ILE 5 3.525 10.347 -1.005
32 2HG1 ILE 5 1HG1 ILE 5 4.111 8.991 -1.970
33 1HG2 ILE 5 3HG2 ILE 5 1.063 11.480 -3.605
34 2HG2 ILE 5 2HG2 ILE 5 1.814 11.932 -2.074
35 3HG2 ILE 5 1HG2 ILE 5 2.751 11.989 -3.566
36 1HD1 ILE 5 2HD1 ILE 5 4.310 11.331 -3.580
37 2HD1 ILE 5 1HD1 ILE 5 5.005 11.713 -2.005
38 3HD1 ILE 5 3HD1 ILE 5 5.622 10.346 -2.933
39 H ILE 6 H ILE 6 3.119 8.205 -0.628
40 HA ILE 6 HA ILE 6 1.875 9.181 1.923
41 HB ILE 6 HB ILE 6 3.876 7.148 2.344
42 1HG1 ILE 6 2HG1 ILE 6 3.369 6.507 -0.037
43 2HG1 ILE 6 1HG1 ILE 6 2.894 5.274 1.126
44 1HG2 ILE 6 2HG2 ILE 6 1.780 7.837 3.665
45 2HG2 ILE 6 1HG2 ILE 6 0.880 6.835 2.527
46 3HG2 ILE 6 3HG2 ILE 6 2.122 6.111 3.548
47 1HD1 ILE 6 1HD1 ILE 6 0.838 7.317 0.507
48 2HD1 ILE 6 3HD1 ILE 6 1.233 6.202 -0.801
49 3HD1 ILE 6 2HD1 ILE 6 0.664 5.580 0.747
50 H ASP 7 H ASP 7 4.329 8.586 3.450
51 HA ASP 7 HA ASP 7 6.245 10.556 2.280
52 1HB ASP 7 2HB ASP 7 4.397 10.906 4.488
53 2HB ASP 7 1HB ASP 7 6.062 11.125 5.028
54 H ILE 8 H ILE 8 6.737 7.825 2.373
55 HA ILE 8 HA ILE 8 8.162 6.165 3.292
56 HB ILE 8 HB ILE 8 10.403 7.031 3.380
57 1HG1 ILE 8 2HG1 ILE 8 9.297 9.832 3.661
58 2HG1 ILE 8 1HG1 ILE 8 9.731 8.864 5.068
59 1HG2 ILE 8 1HG2 ILE 8 8.908 7.336 1.248
60 2HG2 ILE 8 3HG2 ILE 8 9.032 9.054 1.629
61 3HG2 ILE 8 2HG2 ILE 8 10.489 8.113 1.310
62 1HD1 ILE 8 2HD1 ILE 8 12.011 8.533 4.030
63 2HD1 ILE 8 1HD1 ILE 8 11.552 9.717 2.805
64 3HD1 ILE 8 3HD1 ILE 8 11.657 10.196 4.499
65 H GLY 9 H GLY 9 6.251 7.195 5.153
66 1HA GLY 9 2HA GLY 9 7.793 6.830 7.686
67 2HA GLY 9 1HA GLY 9 6.557 8.079 7.574
68 HA PRO 10 HA PRO 10 3.526 5.074 8.500
69 1HB PRO 10 2HB PRO 10 1.426 5.687 6.859
70 2HB PRO 10 1HB PRO 10 1.949 6.723 8.198
71 1HG PRO 10 2HG PRO 10 2.248 7.113 5.316
72 2HG PRO 10 1HG PRO 10 2.314 8.296 6.627
73 1HD PRO 10 2HD PRO 10 4.491 7.109 5.206
74 2HD PRO 10 1HD PRO 10 4.571 8.287 6.533
75 H PHE 11 H PHE 11 3.007 5.268 4.941
76 HA PHE 11 HA PHE 11 2.255 2.616 4.527
77 1HB PHE 11 2HB PHE 11 3.428 4.819 2.979
78 2HB PHE 11 1HB PHE 11 3.795 3.225 2.310
79 HD1 PHE 11 HD1 PHE 11 0.816 4.295 4.273
80 HD2 PHE 11 HD2 PHE 11 2.317 3.031 0.452
81 HE1 PHE 11 HE1 PHE 11 -1.505 4.094 3.429
82 HE2 PHE 11 HE2 PHE 11 -0.009 2.829 -0.389
83 HZ PHE 11 HZ PHE 11 -1.918 3.361 1.098
84 H THR 12 H THR 12 5.488 3.919 5.073
85 HA THR 12 HA THR 12 7.066 1.658 4.385
86 HB THR 12 HB THR 12 8.688 2.807 5.743
87 HG1 THR 12 HG1 THR 12 7.524 4.646 7.039
88 1HG2 THR 12 2HG2 THR 12 7.478 4.029 3.735
89 2HG2 THR 12 1HG2 THR 12 6.937 5.108 5.015
90 3HG2 THR 12 3HG2 THR 12 8.661 4.884 4.724
91 H GLN 13 H GLN 13 5.873 2.736 7.562
92 HA GLN 13 HA GLN 13 6.512 0.325 8.973
93 1HB GLN 13 2HB GLN 13 5.194 2.857 9.390
94 2HB GLN 13 1HB GLN 13 4.250 1.571 10.142
95 1HG GLN 13 2HG GLN 13 5.712 1.879 11.870
96 2HG GLN 13 1HG GLN 13 6.747 0.829 10.902
97 1HE2 GLN 13 2HE2 GLN 13 7.996 4.541 11.643
98 2HE2 GLN 13 1HE2 GLN 13 6.765 3.759 12.513
99 H ASN 14 H ASN 14 3.855 1.221 6.943
100 HA ASN 14 HA ASN 14 2.057 -0.912 7.775
101 1HB ASN 14 2HB ASN 14 2.191 1.284 5.806
102 2HB ASN 14 1HB ASN 14 1.205 -0.095 5.318
103 1HD2 ASN 14 2HD2 ASN 14 -0.003 1.250 8.970
104 2HD2 ASN 14 1HD2 ASN 14 1.576 0.672 8.738
105 H LEU 15 H LEU 15 4.072 -0.337 4.923
106 HA LEU 15 HA LEU 15 3.652 -2.617 3.413
107 1HB LEU 15 2HB LEU 15 5.215 -0.828 2.828
108 2HB LEU 15 1HB LEU 15 6.262 -1.262 4.178
109 HG LEU 15 HG LEU 15 6.925 -2.125 1.836
110 1HD1 LEU 15 1HD1 LEU 15 7.463 -3.027 4.319
111 2HD1 LEU 15 3HD1 LEU 15 6.661 -4.456 3.664
112 3HD1 LEU 15 2HD1 LEU 15 8.094 -3.806 2.867
113 1HD2 LEU 15 2HD2 LEU 15 4.662 -4.036 2.506
114 2HD2 LEU 15 1HD2 LEU 15 4.683 -2.894 1.162
115 3HD2 LEU 15 3HD2 LEU 15 5.815 -4.246 1.188
116 H GLY 16 H GLY 16 6.252 -2.446 5.882
117 1HA GLY 16 2HA GLY 16 6.852 -5.173 6.004
118 2HA GLY 16 1HA GLY 16 6.992 -4.093 7.393
119 H LYS 17 H LYS 17 4.268 -3.409 7.714
120 HA LYS 17 HA LYS 17 3.297 -5.664 9.201
121 1HB LYS 17 2HB LYS 17 2.959 -3.173 9.577
122 2HB LYS 17 1HB LYS 17 1.786 -3.224 8.261
123 1HG LYS 17 2HG LYS 17 0.601 -3.478 10.360
124 2HG LYS 17 1HG LYS 17 0.560 -5.018 9.501
125 1HD LYS 17 2HD LYS 17 2.402 -5.868 10.854
126 2HD LYS 17 1HD LYS 17 2.564 -4.308 11.662
127 1HE LYS 17 2HE LYS 17 1.150 -5.191 13.224
128 2HE LYS 17 1HE LYS 17 -0.124 -4.908 12.020
129 1HZ LYS 17 3HZ LYS 17 0.680 -7.104 11.017
130 2HZ LYS 17 2HZ LYS 17 1.423 -7.376 12.521
131 3HZ LYS 17 1HZ LYS 17 -0.262 -7.183 12.426
132 H PHE 18 H PHE 18 1.628 -3.991 6.577
133 HA PHE 18 HA PHE 18 -0.229 -6.017 5.962
134 1HB PHE 18 2HB PHE 18 1.085 -3.981 4.143
135 2HB PHE 18 1HB PHE 18 -0.444 -4.797 3.819
136 HD1 PHE 18 HD1 PHE 18 -0.987 -4.692 7.036
137 HD2 PHE 18 HD2 PHE 18 -0.220 -1.820 3.934
138 HE1 PHE 18 HE1 PHE 18 -2.188 -2.961 8.342
139 HE2 PHE 18 HE2 PHE 18 -1.419 -0.089 5.242
140 HZ PHE 18 HZ PHE 18 -2.403 -0.658 7.446
141 H ALA 19 H ALA 19 3.047 -5.564 4.793
142 HA ALA 19 HA ALA 19 3.069 -7.488 2.701
143 1HB ALA 19 1HB ALA 19 5.186 -6.553 4.664
144 2HB ALA 19 3HB ALA 19 5.544 -7.528 3.239
145 3HB ALA 19 2HB ALA 19 4.873 -5.908 3.053
146 H VAL 20 H VAL 20 4.817 -8.114 5.727
147 HA VAL 20 HA VAL 20 4.958 -10.844 5.717
148 HB VAL 20 HB VAL 20 5.738 -9.174 7.456
149 1HG1 VAL 20 3HG1 VAL 20 2.852 -9.496 8.303
150 2HG1 VAL 20 2HG1 VAL 20 4.108 -8.925 9.403
151 3HG1 VAL 20 1HG1 VAL 20 3.717 -7.999 7.954
152 1HG2 VAL 20 1HG2 VAL 20 4.441 -11.797 8.190
153 2HG2 VAL 20 3HG2 VAL 20 6.155 -11.439 7.983
154 3HG2 VAL 20 2HG2 VAL 20 5.294 -10.835 9.398
155 H ASP 21 H ASP 21 1.997 -8.988 6.217
156 HA ASP 21 HA ASP 21 0.486 -11.381 7.072
157 1HB ASP 21 2HB ASP 21 0.261 -8.525 7.195
158 2HB ASP 21 1HB ASP 21 -1.166 -9.150 6.366
159 H GLU 22 H GLU 22 -0.388 -9.021 4.514
160 HA GLU 22 HA GLU 22 -1.795 -10.975 2.999
161 1HB GLU 22 2HB GLU 22 -0.491 -8.353 2.227
162 2HB GLU 22 1HB GLU 22 -1.603 -9.234 1.178
163 1HG GLU 22 2HG GLU 22 -2.616 -8.863 3.910
164 2HG GLU 22 1HG GLU 22 -2.347 -7.347 3.048
165 H GLU 23 H GLU 23 1.574 -9.954 2.891
166 HA GLU 23 HA GLU 23 2.339 -11.416 0.545
167 1HB GLU 23 2HB GLU 23 3.620 -9.618 1.839
168 2HB GLU 23 1HB GLU 23 4.023 -10.878 3.006
169 1HG GLU 23 2HG GLU 23 4.674 -12.122 0.668
170 2HG GLU 23 1HG GLU 23 5.058 -10.447 0.272
171 H ASN 24 H ASN 24 2.498 -12.291 4.012
172 HA ASN 24 HA ASN 24 3.332 -15.020 3.457
173 1HB ASN 24 2HB ASN 24 3.619 -13.650 5.599
174 2HB ASN 24 1HB ASN 24 1.903 -13.920 5.900
175 1HD2 ASN 24 2HD2 ASN 24 4.354 -16.700 7.191
176 2HD2 ASN 24 1HD2 ASN 24 4.698 -15.045 7.019
177 H LYS 25 H LYS 25 0.234 -13.444 4.266
178 HA LYS 25 HA LYS 25 -1.411 -15.758 4.197
179 1HB LYS 25 2HB LYS 25 -1.787 -12.823 3.658
180 2HB LYS 25 1HB LYS 25 -3.143 -13.938 3.497
181 1HG LYS 25 2HG LYS 25 -1.447 -13.967 5.983
182 2HG LYS 25 1HG LYS 25 -2.743 -12.785 5.805
183 1HD LYS 25 2HD LYS 25 -4.206 -14.845 5.153
184 2HD LYS 25 1HD LYS 25 -2.935 -15.785 5.937
185 1HE LYS 25 2HE LYS 25 -3.344 -14.817 8.047
186 2HE LYS 25 1HE LYS 25 -4.179 -13.417 7.344
187 1HZ LYS 25 2HZ LYS 25 -5.129 -16.228 7.162
188 2HZ LYS 25 1HZ LYS 25 -5.740 -15.071 8.247
189 3HZ LYS 25 3HZ LYS 25 -5.935 -14.852 6.576
190 H ILE 26 H ILE 26 -0.310 -13.640 1.593
191 HA ILE 26 HA ILE 26 -1.884 -14.924 -0.475
192 HB ILE 26 HB ILE 26 -0.709 -12.574 -0.383
193 1HG1 ILE 26 2HG1 ILE 26 -0.730 -12.460 -2.804
194 2HG1 ILE 26 1HG1 ILE 26 -0.560 -14.211 -2.925
195 1HG2 ILE 26 1HG2 ILE 26 1.562 -14.204 -0.410
196 2HG2 ILE 26 3HG2 ILE 26 1.438 -13.594 -2.058
197 3HG2 ILE 26 2HG2 ILE 26 1.518 -12.469 -0.707
198 1HD1 ILE 26 1HD1 ILE 26 -2.837 -13.280 -1.278
199 2HD1 ILE 26 3HD1 ILE 26 -2.958 -12.922 -3.001
200 3HD1 ILE 26 2HD1 ILE 26 -2.761 -14.589 -2.459
201 H GLY 27 H GLY 27 0.981 -15.789 1.172
202 1HA GLY 27 2HA GLY 27 1.847 -18.076 0.918
203 2HA GLY 27 1HA GLY 27 1.423 -17.996 -0.793
204 H GLN 28 H GLN 28 3.298 -15.890 1.412
205 HA GLN 28 HA GLN 28 5.803 -16.376 0.026
206 1HB GLN 28 2HB GLN 28 4.268 -14.974 -1.531
207 2HB GLN 28 1HB GLN 28 4.564 -13.653 -0.401
208 1HG GLN 28 2HG GLN 28 6.240 -13.423 -2.076
209 2HG GLN 28 1HG GLN 28 7.061 -14.163 -0.701
210 1HE2 GLN 28 2HE2 GLN 28 8.084 -16.886 -2.669
211 2HE2 GLN 28 1HE2 GLN 28 8.421 -15.810 -1.400
212 H TYR 29 H TYR 29 6.442 -16.587 2.276
213 HA TYR 29 HA TYR 29 6.926 -13.958 3.600
214 1HB TYR 29 2HB TYR 29 6.129 -14.959 5.727
215 2HB TYR 29 1HB TYR 29 4.853 -14.940 4.510
216 HD1 TYR 29 HD2 TYR 29 4.379 -17.044 3.183
217 HD2 TYR 29 HD1 TYR 29 6.943 -17.005 6.629
218 HE1 TYR 29 HE2 TYR 29 4.164 -19.507 3.371
219 HE2 TYR 29 HE1 TYR 29 6.727 -19.468 6.817
220 HH TYR 29 HH TYR 29 6.190 -21.398 5.137
221 H GLY 30 H GLY 30 8.890 -15.318 2.228
222 1HA GLY 30 2HA GLY 30 10.384 -17.344 3.307
223 2HA GLY 30 1HA GLY 30 11.151 -15.892 2.663
224 H ARG 31 H ARG 31 9.874 -14.176 4.733
225 HA ARG 31 HA ARG 31 10.487 -14.998 7.380
226 1HB ARG 31 2HB ARG 31 12.754 -14.418 5.621
227 2HB ARG 31 1HB ARG 31 12.774 -13.429 7.081
228 1HG ARG 31 2HG ARG 31 12.082 -15.914 8.061
229 2HG ARG 31 1HG ARG 31 13.224 -16.315 6.778
230 1HD ARG 31 2HD ARG 31 13.973 -14.055 8.582
231 2HD ARG 31 1HD ARG 31 14.072 -15.699 9.248
232 HE ARG 31 HE ARG 31 15.288 -16.104 6.889
233 1HH1 ARG 31 2HH1 ARG 31 15.793 -13.300 6.288
234 2HH1 ARG 31 1HH1 ARG 31 17.296 -12.973 7.084
235 1HH2 ARG 31 1HH2 ARG 31 17.120 -15.764 9.135
236 2HH2 ARG 31 2HH2 ARG 31 18.048 -14.369 8.696
237 H LEU 32 H LEU 32 11.570 -12.118 5.548
238 HA LEU 32 HA LEU 32 9.543 -10.505 7.057
239 1HB LEU 32 2HB LEU 32 12.430 -9.773 6.470
240 2HB LEU 32 1HB LEU 32 11.286 -8.833 7.427
241 HG LEU 32 HG LEU 32 11.191 -11.337 8.612
242 1HD1 LEU 32 2HD1 LEU 32 13.354 -11.614 7.079
243 2HD1 LEU 32 1HD1 LEU 32 14.112 -10.733 8.406
244 3HD1 LEU 32 3HD1 LEU 32 13.305 -12.270 8.716
245 1HD2 LEU 32 2HD2 LEU 32 12.515 -8.715 9.200
246 2HD2 LEU 32 1HD2 LEU 32 11.194 -9.516 10.051
247 3HD2 LEU 32 3HD2 LEU 32 12.851 -10.081 10.264
248 H THR 33 H THR 33 9.533 -8.182 5.972
249 HA THR 33 HA THR 33 9.965 -8.346 3.031
250 HB THR 33 HB THR 33 7.374 -7.214 3.610
251 HG1 THR 33 HG1 THR 33 6.784 -9.648 4.182
252 1HG2 THR 33 1HG2 THR 33 8.187 -8.211 1.460
253 2HG2 THR 33 3HG2 THR 33 8.131 -9.799 2.224
254 3HG2 THR 33 2HG2 THR 33 6.646 -8.878 1.995
255 H PHE 34 H PHE 34 11.526 -6.788 4.625
256 HA PHE 34 HA PHE 34 11.137 -4.135 3.629
257 1HB PHE 34 2HB PHE 34 10.549 -3.120 5.910
258 2HB PHE 34 1HB PHE 34 9.255 -4.003 5.100
259 HD1 PHE 34 HD2 PHE 34 11.736 -4.102 7.837
260 HD2 PHE 34 HD1 PHE 34 8.459 -6.135 5.946
261 HE1 PHE 34 HE2 PHE 34 11.552 -5.620 9.788
262 HE2 PHE 34 HE1 PHE 34 8.274 -7.652 7.898
263 HZ PHE 34 HZ PHE 34 9.821 -7.395 9.820
264 H ASN 35 H ASN 35 13.300 -3.657 3.440
265 HA ASN 35 HA ASN 35 14.988 -3.753 5.883
266 1HB ASN 35 2HB ASN 35 15.208 -5.956 4.842
267 2HB ASN 35 1HB ASN 35 15.566 -5.210 3.284
268 1HD2 ASN 35 2HD2 ASN 35 18.938 -4.435 4.123
269 2HD2 ASN 35 1HD2 ASN 35 17.668 -4.123 3.041
270 H LYS 36 H LYS 36 15.037 -3.112 2.347
271 HA LYS 36 HA LYS 36 17.210 -1.232 2.475
272 1HB LYS 36 2HB LYS 36 15.134 -2.133 0.532
273 2HB LYS 36 1HB LYS 36 15.986 -0.631 0.170
274 1HG LYS 36 2HG LYS 36 17.655 -2.924 1.068
275 2HG LYS 36 1HG LYS 36 16.948 -3.044 -0.544
276 1HD LYS 36 2HD LYS 36 18.883 -1.902 -1.072
277 2HD LYS 36 1HD LYS 36 17.833 -0.531 -0.714
278 1HE LYS 36 2HE LYS 36 19.134 0.071 1.041
279 2HE LYS 36 1HE LYS 36 19.046 -1.566 1.722
280 1HZ LYS 36 2HZ LYS 36 20.694 -2.290 0.104
281 2HZ LYS 36 1HZ LYS 36 20.803 -0.714 -0.521
282 3HZ LYS 36 3HZ LYS 36 21.315 -1.034 1.064
283 H VAL 37 H VAL 37 14.439 0.125 0.877
284 HA VAL 37 HA VAL 37 13.743 1.904 3.133
285 HB VAL 37 HB VAL 37 15.428 2.656 0.751
286 1HG1 VAL 37 1HG1 VAL 37 13.806 4.536 2.495
287 2HG1 VAL 37 3HG1 VAL 37 15.029 5.035 1.326
288 3HG1 VAL 37 2HG1 VAL 37 13.554 4.243 0.773
289 1HG2 VAL 37 1HG2 VAL 37 15.585 2.960 3.750
290 2HG2 VAL 37 3HG2 VAL 37 16.725 2.157 2.671
291 3HG2 VAL 37 2HG2 VAL 37 16.603 3.917 2.673
292 H ILE 38 H ILE 38 12.170 3.661 2.316
293 HA ILE 38 HA ILE 38 10.557 2.721 -0.027
294 HB ILE 38 HB ILE 38 9.306 1.868 1.753
295 1HG1 ILE 38 2HG1 ILE 38 8.124 4.567 2.121
296 2HG1 ILE 38 1HG1 ILE 38 8.242 4.001 0.458
297 1HG2 ILE 38 1HG2 ILE 38 10.872 2.880 3.487
298 2HG2 ILE 38 3HG2 ILE 38 9.865 4.326 3.429
299 3HG2 ILE 38 2HG2 ILE 38 9.179 2.789 3.955
300 1HD1 ILE 38 2HD1 ILE 38 7.154 2.188 2.597
301 2HD1 ILE 38 1HD1 ILE 38 6.112 3.388 1.832
302 3HD1 ILE 38 3HD1 ILE 38 6.880 2.135 0.856
303 H ARG 39 H ARG 39 11.109 4.440 -1.377
304 HA ARG 39 HA ARG 39 10.679 7.201 -0.315
305 1HB ARG 39 2HB ARG 39 12.659 5.919 -1.940
306 2HB ARG 39 1HB ARG 39 11.865 7.157 -2.912
307 1HG ARG 39 2HG ARG 39 12.583 8.883 -1.560
308 2HG ARG 39 1HG ARG 39 12.620 7.873 -0.114
309 1HD ARG 39 2HD ARG 39 14.897 7.973 -0.470
310 2HD ARG 39 1HD ARG 39 14.551 6.653 -1.605
311 HE ARG 39 HE ARG 39 15.141 9.436 -2.339
312 1HH1 ARG 39 2HH1 ARG 39 12.753 9.095 -3.886
313 2HH1 ARG 39 1HH1 ARG 39 13.261 8.213 -5.287
314 1HH2 ARG 39 1HH2 ARG 39 16.232 7.136 -3.859
315 2HH2 ARG 39 2HH2 ARG 39 15.230 7.104 -5.272
316 HA PRO 40 HA PRO 40 8.112 7.150 -4.244
317 1HB PRO 40 2HB PRO 40 8.212 5.018 -5.960
318 2HB PRO 40 1HB PRO 40 9.344 6.380 -6.020
319 1HG PRO 40 2HG PRO 40 9.799 3.632 -5.147
320 2HG PRO 40 1HG PRO 40 10.959 4.873 -5.619
321 1HD PRO 40 2HD PRO 40 10.257 4.033 -2.971
322 2HD PRO 40 1HD PRO 40 11.438 5.263 -3.460
323 H CYS 41 H CYS 41 7.230 6.118 -1.855
324 HA CYS 41 HA CYS 41 5.533 3.753 -2.273
325 1HB CYS 41 2HB CYS 41 4.756 4.394 0.037
326 2HB CYS 41 1HB CYS 41 6.503 4.215 -0.088
327 HG CYS 41 HG CYS 41 5.980 7.069 -0.601
328 H MET 42 H MET 42 3.346 3.812 -2.842
329 HA MET 42 HA MET 42 2.056 6.515 -3.042
330 1HB MET 42 2HB MET 42 2.606 4.402 -5.042
331 2HB MET 42 1HB MET 42 0.987 5.097 -5.114
332 1HG MET 42 2HG MET 42 1.766 7.212 -5.648
333 2HG MET 42 1HG MET 42 3.315 6.957 -4.844
334 1HE MET 42 1HE MET 42 0.936 5.758 -7.259
335 2HE MET 42 3HE MET 42 1.633 6.503 -8.705
336 3HE MET 42 2HE MET 42 1.806 4.772 -8.431
337 H LYS 43 H LYS 43 -0.386 6.282 -3.274
338 HA LYS 43 HA LYS 43 -1.545 3.793 -2.128
339 1HB LYS 43 2HB LYS 43 -0.859 5.083 -0.184
340 2HB LYS 43 1HB LYS 43 -1.588 6.545 -0.841
341 1HG LYS 43 2HG LYS 43 -3.379 4.188 -0.573
342 2HG LYS 43 1HG LYS 43 -2.863 4.956 0.929
343 1HD LYS 43 2HD LYS 43 -3.554 7.175 -0.107
344 2HD LYS 43 1HD LYS 43 -4.316 6.239 -1.394
345 1HE LYS 43 2HE LYS 43 -6.143 6.047 -0.065
346 2HE LYS 43 1HE LYS 43 -5.167 5.057 1.039
347 1HZ LYS 43 3HZ LYS 43 -5.075 8.021 1.017
348 2HZ LYS 43 2HZ LYS 43 -6.109 7.142 2.040
349 3HZ LYS 43 1HZ LYS 43 -4.425 6.973 2.181
350 H LYS 44 H LYS 44 -3.646 3.514 -2.878
351 HA LYS 44 HA LYS 44 -5.037 5.870 -4.087
352 1HB LYS 44 2HB LYS 44 -3.893 4.704 -5.885
353 2HB LYS 44 1HB LYS 44 -4.493 3.147 -5.313
354 1HG LYS 44 2HG LYS 44 -6.823 3.930 -5.738
355 2HG LYS 44 1HG LYS 44 -6.169 5.426 -6.408
356 1HD LYS 44 2HD LYS 44 -4.920 3.049 -7.566
357 2HD LYS 44 1HD LYS 44 -6.662 3.092 -7.835
358 1HE LYS 44 2HE LYS 44 -4.707 5.326 -8.498
359 2HE LYS 44 1HE LYS 44 -5.543 4.282 -9.665
360 1HZ LYS 44 2HZ LYS 44 -7.596 5.062 -8.198
361 2HZ LYS 44 1HZ LYS 44 -6.609 6.432 -8.009
362 3HZ LYS 44 3HZ LYS 44 -7.074 5.931 -9.561
363 H THR 45 H THR 45 -7.415 5.399 -4.370
364 HA THR 45 HA THR 45 -8.512 3.049 -3.009
365 HB THR 45 HB THR 45 -8.438 5.812 -1.789
366 HG1 THR 45 HG1 THR 45 -8.054 3.295 -0.583
367 1HG2 THR 45 1HG2 THR 45 -10.606 3.873 -1.747
368 2HG2 THR 45 3HG2 THR 45 -9.982 4.183 -0.129
369 3HG2 THR 45 2HG2 THR 45 -10.569 5.519 -1.118
370 H ILE 46 H ILE 46 -10.732 2.819 -3.404
371 HA ILE 46 HA ILE 46 -11.999 4.891 -5.172
372 HB ILE 46 HB ILE 46 -13.104 2.983 -6.251
373 1HG1 ILE 46 2HG1 ILE 46 -11.514 1.153 -4.448
374 2HG1 ILE 46 1HG1 ILE 46 -13.135 1.689 -4.005
375 1HG2 ILE 46 2HG2 ILE 46 -10.553 3.641 -6.625
376 2HG2 ILE 46 1HG2 ILE 46 -10.283 2.019 -5.988
377 3HG2 ILE 46 3HG2 ILE 46 -11.257 2.246 -7.441
378 1HD1 ILE 46 2HD1 ILE 46 -12.663 0.553 -6.740
379 2HD1 ILE 46 1HD1 ILE 46 -12.831 -0.539 -5.365
380 3HD1 ILE 46 3HD1 ILE 46 -14.141 0.566 -5.777
381 H TYR 47 H TYR 47 -12.007 4.925 -2.365
382 HA TYR 47 HA TYR 47 -14.325 3.634 -1.250
383 1HB TYR 47 2HB TYR 47 -13.682 4.825 0.734
384 2HB TYR 47 1HB TYR 47 -12.206 4.329 -0.089
385 HD1 TYR 47 HD1 TYR 47 -13.022 6.679 -2.308
386 HD2 TYR 47 HD2 TYR 47 -12.116 6.483 1.891
387 HE1 TYR 47 HE1 TYR 47 -12.265 9.033 -2.361
388 HE2 TYR 47 HE2 TYR 47 -11.361 8.843 1.832
389 HH TYR 47 HH TYR 47 -11.774 10.833 -1.042
390 H GLU 48 H GLU 48 -15.416 5.651 0.286
391 HA GLU 48 HA GLU 48 -17.512 6.670 -1.386
392 1HB GLU 48 2HB GLU 48 -18.330 7.517 0.675
393 2HB GLU 48 1HB GLU 48 -17.414 6.078 1.098
394 1HG GLU 48 2HG GLU 48 -16.614 8.970 1.469
395 2HG GLU 48 1HG GLU 48 -16.679 7.703 2.670
396 H ASN 49 H ASN 49 -17.628 9.286 0.053
397 HA ASN 49 HA ASN 49 -15.637 10.784 -1.654
398 1HB ASN 49 2HB ASN 49 -18.512 10.824 -1.440
399 2HB ASN 49 1HB ASN 49 -17.876 12.391 -0.938
400 1HD2 ASN 49 2HD2 ASN 49 -17.630 13.276 -4.341
401 2HD2 ASN 49 1HD2 ASN 49 -18.233 13.662 -2.802
402 H GLU 50 H GLU 50 -17.479 10.724 1.354
403 HA GLU 50 HA GLU 50 -15.294 11.707 2.953
404 1HB GLU 50 2HB GLU 50 -16.976 13.598 1.537
405 2HB GLU 50 1HB GLU 50 -17.132 13.827 3.278
406 1HG GLU 50 2HG GLU 50 -14.533 13.676 3.301
407 2HG GLU 50 1HG GLU 50 -14.656 14.003 1.572
408 H ARG 51 H ARG 51 -17.614 9.704 2.840
409 HA ARG 51 HA ARG 51 -18.403 10.032 5.666
410 1HB ARG 51 2HB ARG 51 -20.019 10.861 3.415
411 2HB ARG 51 1HB ARG 51 -20.838 9.588 4.320
412 1HG ARG 51 2HG ARG 51 -20.202 10.944 6.427
413 2HG ARG 51 1HG ARG 51 -19.878 12.272 5.311
414 1HD ARG 51 2HD ARG 51 -22.271 11.692 4.364
415 2HD ARG 51 1HD ARG 51 -22.500 10.947 5.958
416 HE ARG 51 HE ARG 51 -22.021 13.824 5.451
417 1HH1 ARG 51 1HH2 ARG 51 -20.654 14.266 7.601
418 2HH1 ARG 51 2HH2 ARG 51 -21.594 13.908 9.011
419 1HH2 ARG 51 2HH1 ARG 51 -23.942 12.024 7.290
420 2HH2 ARG 51 1HH1 ARG 51 -23.456 12.638 8.835
421 H GLU 52 H GLU 52 -18.508 8.084 2.664
422 HA GLU 52 HA GLU 52 -19.271 5.713 4.365
423 1HB GLU 52 2HB GLU 52 -19.235 5.854 1.354
424 2HB GLU 52 1HB GLU 52 -20.198 4.804 2.391
425 1HG GLU 52 2HG GLU 52 -20.859 7.422 3.172
426 2HG GLU 52 1HG GLU 52 -20.815 7.456 1.408
427 H ILE 53 H ILE 53 -18.430 3.817 2.462
428 HA ILE 53 HA ILE 53 -15.494 4.075 2.132
429 HB ILE 53 HB ILE 53 -16.760 1.860 3.778
430 1HG1 ILE 53 2HG1 ILE 53 -16.778 4.077 4.957
431 2HG1 ILE 53 1HG1 ILE 53 -15.713 2.902 5.720
432 1HG2 ILE 53 2HG2 ILE 53 -14.637 1.441 2.414
433 2HG2 ILE 53 1HG2 ILE 53 -13.846 2.610 3.469
434 3HG2 ILE 53 3HG2 ILE 53 -14.516 1.127 4.145
435 1HD1 ILE 53 1HD1 ILE 53 -14.378 4.463 3.629
436 2HD1 ILE 53 3HD1 ILE 53 -14.971 5.453 4.962
437 3HD1 ILE 53 2HD1 ILE 53 -13.860 4.121 5.279
438 H LYS 54 H LYS 54 -14.876 2.914 0.294
439 HA LYS 54 HA LYS 54 -16.840 0.894 -0.733
440 1HB LYS 54 2HB LYS 54 -16.030 3.439 -1.818
441 2HB LYS 54 1HB LYS 54 -15.602 2.139 -2.932
442 1HG LYS 54 2HG LYS 54 -17.771 2.336 -3.601
443 2HG LYS 54 1HG LYS 54 -18.097 1.354 -2.171
444 1HD LYS 54 2HD LYS 54 -18.197 3.594 -0.888
445 2HD LYS 54 1HD LYS 54 -18.327 4.347 -2.479
446 1HE LYS 54 2HE LYS 54 -20.440 3.480 -2.867
447 2HE LYS 54 1HE LYS 54 -20.141 2.038 -1.876
448 1HZ LYS 54 1HZ LYS 54 -20.016 4.632 -0.542
449 2HZ LYS 54 3HZ LYS 54 -21.557 4.072 -0.979
450 3HZ LYS 54 2HZ LYS 54 -20.573 3.138 0.044
451 H GLY 55 H GLY 55 -13.557 2.076 -1.737
452 1HA GLY 55 2HA GLY 55 -12.627 -0.740 -1.435
453 2HA GLY 55 1HA GLY 55 -12.431 0.050 -2.998
454 H TYR 56 H TYR 56 -10.152 -0.810 -1.810
455 HA TYR 56 HA TYR 56 -8.750 1.729 -1.268
456 1HB TYR 56 2HB TYR 56 -9.776 0.099 0.800
457 2HB TYR 56 1HB TYR 56 -8.036 -0.186 0.779
458 HD1 TYR 56 HD2 TYR 56 -6.447 1.692 1.076
459 HD2 TYR 56 HD1 TYR 56 -10.693 2.248 1.400
460 HE1 TYR 56 HE2 TYR 56 -6.075 3.879 2.184
461 HE2 TYR 56 HE1 TYR 56 -10.323 4.436 2.509
462 HH TYR 56 HH TYR 56 -7.854 5.356 3.975
463 H GLU 57 H GLU 57 -7.390 1.272 -3.078
464 HA GLU 57 HA GLU 57 -5.970 -1.334 -3.138
465 1HB GLU 57 2HB GLU 57 -5.097 -0.335 -5.311
466 2HB GLU 57 1HB GLU 57 -6.846 -0.542 -5.233
467 1HG GLU 57 2HG GLU 57 -5.865 2.047 -4.208
468 2HG GLU 57 1HG GLU 57 -5.614 1.793 -5.935
469 H TYR 58 H TYR 58 -3.539 -1.236 -3.458
470 HA TYR 58 HA TYR 58 -2.296 1.093 -2.010
471 1HB TYR 58 2HB TYR 58 -2.780 -0.721 -0.473
472 2HB TYR 58 1HB TYR 58 -2.060 -1.889 -1.566
473 HD1 TYR 58 HD1 TYR 58 -1.367 0.920 0.716
474 HD2 TYR 58 HD2 TYR 58 0.367 -2.224 -1.644
475 HE1 TYR 58 HE1 TYR 58 0.769 1.200 1.928
476 HE2 TYR 58 HE2 TYR 58 2.511 -1.931 -0.424
477 HH TYR 58 HH TYR 58 2.767 -0.048 2.431
478 H GLN 59 H GLN 59 -0.374 1.741 -2.885
479 HA GLN 59 HA GLN 59 1.068 -0.105 -4.745
480 1HB GLN 59 2HB GLN 59 -0.049 2.656 -5.174
481 2HB GLN 59 1HB GLN 59 1.449 2.220 -5.998
482 1HG GLN 59 2HG GLN 59 0.414 0.412 -7.149
483 2HG GLN 59 1HG GLN 59 -1.006 0.460 -6.104
484 1HE2 GLN 59 2HE2 GLN 59 -0.698 3.727 -8.573
485 2HE2 GLN 59 1HE2 GLN 59 0.644 3.247 -7.651
486 H LEU 60 H LEU 60 2.916 -0.405 -3.510
487 HA LEU 60 HA LEU 60 4.186 2.032 -2.311
488 1HB LEU 60 2HB LEU 60 3.211 0.296 -0.796
489 2HB LEU 60 1HB LEU 60 4.352 -0.871 -1.453
490 HG LEU 60 HG LEU 60 6.036 1.173 -0.800
491 1HD1 LEU 60 2HD1 LEU 60 3.534 1.621 0.617
492 2HD1 LEU 60 1HD1 LEU 60 4.858 1.337 1.746
493 3HD1 LEU 60 3HD1 LEU 60 4.974 2.634 0.558
494 1HD2 LEU 60 1HD2 LEU 60 5.029 -1.065 0.990
495 2HD2 LEU 60 3HD2 LEU 60 6.336 -1.180 -0.187
496 3HD2 LEU 60 2HD2 LEU 60 6.529 -0.172 1.248
497 H TYR 61 H TYR 61 5.259 2.267 -4.450
498 HA TYR 61 HA TYR 61 7.080 0.212 -5.388
499 1HB TYR 61 2HB TYR 61 6.156 1.708 -6.950
500 2HB TYR 61 1HB TYR 61 6.469 3.106 -5.926
501 HD1 TYR 61 HD2 TYR 61 9.050 0.539 -6.240
502 HD2 TYR 61 HD1 TYR 61 7.602 4.252 -7.836
503 HE1 TYR 61 HE2 TYR 61 11.218 0.887 -7.389
504 HE2 TYR 61 HE1 TYR 61 9.771 4.602 -8.987
505 HH TYR 61 HH TYR 61 11.660 3.176 -9.820
506 H VAL 62 H VAL 62 8.787 -0.318 -4.070
507 HA VAL 62 HA VAL 62 10.678 1.790 -3.214
508 HB VAL 62 HB VAL 62 10.421 1.072 -0.821
509 1HG1 VAL 62 3HG1 VAL 62 9.187 3.057 -1.812
510 2HG1 VAL 62 2HG1 VAL 62 7.784 2.002 -1.973
511 3HG1 VAL 62 1HG1 VAL 62 8.443 2.350 -0.380
512 1HG2 VAL 62 1HG2 VAL 62 8.275 -0.605 -2.094
513 2HG2 VAL 62 3HG2 VAL 62 9.496 -1.078 -0.912
514 3HG2 VAL 62 2HG2 VAL 62 8.121 -0.092 -0.414
515 H TYR 63 H TYR 63 11.966 0.197 -1.298
516 HA TYR 63 HA TYR 63 12.597 -2.354 -2.688
517 1HB TYR 63 2HB TYR 63 14.123 -0.529 -3.465
518 2HB TYR 63 1HB TYR 63 14.631 -0.288 -1.793
519 HD1 TYR 63 HD1 TYR 63 13.801 -3.698 -2.805
520 HD2 TYR 63 HD2 TYR 63 16.969 -0.809 -2.526
521 HE1 TYR 63 HE1 TYR 63 15.472 -5.507 -3.053
522 HE2 TYR 63 HE2 TYR 63 18.642 -2.623 -2.776
523 HH TYR 63 HH TYR 63 17.950 -5.827 -2.363
524 H ALA 64 H ALA 64 12.892 -3.990 -1.209
525 HA ALA 64 HA ALA 64 13.376 -3.214 1.641
526 1HB ALA 64 2HB ALA 64 11.424 -5.178 0.416
527 2HB ALA 64 1HB ALA 64 11.749 -5.083 2.146
528 3HB ALA 64 3HB ALA 64 11.035 -3.708 1.308
529 H SER 65 H SER 65 12.899 -6.441 1.657
530 HA SER 65 HA SER 65 15.806 -7.021 1.403
531 1HB SER 65 2HB SER 65 15.059 -7.836 3.442
532 2HB SER 65 1HB SER 65 13.426 -8.115 2.844
533 HG SER 65 HG SER 65 14.016 -10.025 2.091
534 H ASP 66 H ASP 66 12.784 -7.493 -0.181
535 HA ASP 66 HA ASP 66 14.077 -9.026 -2.342
536 1HB ASP 66 2HB ASP 66 12.659 -10.263 -0.187
537 2HB ASP 66 1HB ASP 66 11.677 -10.431 -1.642
538 H LYS 67 H LYS 67 12.449 -6.458 -1.694
539 HA LYS 67 HA LYS 67 10.313 -6.829 -3.778
540 1HB LYS 67 2HB LYS 67 9.319 -6.361 -1.681
541 2HB LYS 67 1HB LYS 67 10.549 -5.165 -1.276
542 1HG LYS 67 2HG LYS 67 9.332 -4.369 -3.735
543 2HG LYS 67 1HG LYS 67 8.047 -4.741 -2.589
544 1HD LYS 67 2HD LYS 67 10.351 -2.820 -2.181
545 2HD LYS 67 1HD LYS 67 8.639 -2.417 -2.305
546 1HE LYS 67 2HE LYS 67 9.207 -4.406 -0.208
547 2HE LYS 67 1HE LYS 67 9.968 -2.829 0.075
548 1HZ LYS 67 2HZ LYS 67 7.304 -2.641 -0.991
549 2HZ LYS 67 1HZ LYS 67 7.355 -3.397 0.530
550 3HZ LYS 67 3HZ LYS 67 7.999 -1.841 0.337
551 H LEU 68 H LEU 68 12.041 -6.310 -5.357
552 HA LEU 68 HA LEU 68 13.235 -3.615 -5.320
553 1HB LEU 68 2HB LEU 68 13.327 -6.100 -6.992
554 2HB LEU 68 1HB LEU 68 13.852 -4.585 -7.728
555 HG LEU 68 HG LEU 68 14.889 -5.129 -5.000
556 1HD1 LEU 68 1HD1 LEU 68 15.188 -7.023 -7.211
557 2HD1 LEU 68 3HD1 LEU 68 16.737 -6.421 -6.621
558 3HD1 LEU 68 2HD1 LEU 68 15.616 -7.209 -5.511
559 1HD2 LEU 68 2HD2 LEU 68 15.395 -3.349 -7.069
560 2HD2 LEU 68 1HD2 LEU 68 16.446 -3.628 -5.680
561 3HD2 LEU 68 3HD2 LEU 68 16.731 -4.493 -7.190
562 H PHE 69 H PHE 69 10.587 -3.081 -5.232
563 HA PHE 69 HA PHE 69 10.020 -1.537 -7.500
564 1HB PHE 69 2HB PHE 69 8.241 -3.211 -8.487
565 2HB PHE 69 1HB PHE 69 9.921 -3.346 -8.937
566 HD1 PHE 69 HD2 PHE 69 8.212 -4.383 -5.762
567 HD2 PHE 69 HD1 PHE 69 10.354 -5.619 -9.276
568 HE1 PHE 69 HE2 PHE 69 8.323 -6.696 -4.881
569 HE2 PHE 69 HE1 PHE 69 10.470 -7.931 -8.389
570 HZ PHE 69 HZ PHE 69 9.454 -8.470 -6.193
571 H ARG 70 H ARG 70 7.110 -3.204 -7.127
572 HA ARG 70 HA ARG 70 6.394 -1.400 -4.836
573 1HB ARG 70 2HB ARG 70 5.562 -0.706 -7.058
574 2HB ARG 70 1HB ARG 70 4.759 -2.265 -7.231
575 1HG ARG 70 2HG ARG 70 3.202 -1.796 -5.493
576 2HG ARG 70 1HG ARG 70 4.186 -0.481 -4.852
577 1HD ARG 70 2HD ARG 70 2.115 0.188 -6.252
578 2HD ARG 70 1HD ARG 70 3.651 0.954 -6.700
579 HE ARG 70 HE ARG 70 2.851 -1.577 -8.058
580 1HH1 ARG 70 1HH2 ARG 70 5.242 0.095 -8.863
581 2HH1 ARG 70 2HH2 ARG 70 4.620 0.950 -10.236
582 1HH2 ARG 70 2HH1 ARG 70 1.303 0.257 -9.499
583 2HH2 ARG 70 1HH1 ARG 70 2.390 1.042 -10.596
584 H ALA 71 H ALA 71 4.951 -2.113 -3.340
585 HA ALA 71 HA ALA 71 4.224 -5.017 -3.382
586 1HB ALA 71 1HB ALA 71 5.568 -3.413 -1.494
587 2HB ALA 71 3HB ALA 71 3.931 -3.564 -0.857
588 3HB ALA 71 2HB ALA 71 4.884 -5.010 -1.192
589 H ASP 72 H ASP 72 2.148 -4.953 -4.318
590 HA ASP 72 HA ASP 72 0.401 -2.646 -3.829
591 1HB ASP 72 2HB ASP 72 0.127 -5.272 -5.328
592 2HB ASP 72 1HB ASP 72 -1.111 -4.015 -5.334
593 H ILE 73 H ILE 73 -1.848 -2.993 -3.051
594 HA ILE 73 HA ILE 73 -2.465 -5.374 -1.456
595 HB ILE 73 HB ILE 73 -1.268 -2.925 -0.320
596 1HG1 ILE 73 2HG1 ILE 73 -0.366 -5.223 -0.058
597 2HG1 ILE 73 1HG1 ILE 73 -0.712 -4.464 1.494
598 1HG2 ILE 73 3HG2 ILE 73 -3.896 -3.975 0.712
599 2HG2 ILE 73 2HG2 ILE 73 -2.720 -3.254 1.811
600 3HG2 ILE 73 1HG2 ILE 73 -3.391 -2.300 0.488
601 1HD1 ILE 73 1HD1 ILE 73 -2.912 -6.033 0.235
602 2HD1 ILE 73 3HD1 ILE 73 -1.563 -6.941 0.917
603 3HD1 ILE 73 2HD1 ILE 73 -2.495 -5.847 1.938
604 H SER 74 H SER 74 -4.468 -5.549 -2.430
605 HA SER 74 HA SER 74 -6.188 -3.157 -2.758
606 1HB SER 74 2HB SER 74 -5.671 -5.325 -4.301
607 2HB SER 74 1HB SER 74 -7.085 -5.919 -3.435
608 HG SER 74 HG SER 74 -6.817 -3.721 -5.169
609 H GLU 75 H GLU 75 -8.416 -3.184 -1.857
610 HA GLU 75 HA GLU 75 -9.100 -5.253 0.109
611 1HB GLU 75 2HB GLU 75 -7.648 -2.840 0.803
612 2HB GLU 75 1HB GLU 75 -9.195 -2.902 1.651
613 1HG GLU 75 2HG GLU 75 -8.315 -5.496 1.890
614 2HG GLU 75 1HG GLU 75 -6.806 -4.589 1.987
615 H ASP 76 H ASP 76 -11.084 -5.451 -0.957
616 HA ASP 76 HA ASP 76 -12.803 -3.385 -1.837
617 1HB ASP 76 2HB ASP 76 -14.480 -5.147 -1.812
618 2HB ASP 76 1HB ASP 76 -12.933 -5.870 -2.251
619 H TYR 77 H TYR 77 -15.039 -2.988 -0.793
620 HA TYR 77 HA TYR 77 -15.119 -3.026 2.153
621 1HB TYR 77 2HB TYR 77 -13.941 -0.882 0.764
622 2HB TYR 77 1HB TYR 77 -15.549 -0.308 1.205
623 HD1 TYR 77 HD1 TYR 77 -16.190 -1.449 3.718
624 HD2 TYR 77 HD2 TYR 77 -12.346 -0.156 2.299
625 HE1 TYR 77 HE1 TYR 77 -15.431 -1.135 6.059
626 HE2 TYR 77 HE2 TYR 77 -11.588 0.158 4.640
627 HH TYR 77 HH TYR 77 -12.534 0.523 6.844
628 H LYS 78 H LYS 78 -16.626 -0.893 -0.276
629 HA LYS 78 HA LYS 78 -19.268 -2.165 0.367
630 1HB LYS 78 2HB LYS 78 -18.887 0.173 1.204
631 2HB LYS 78 1HB LYS 78 -18.656 0.692 -0.466
632 1HG LYS 78 2HG LYS 78 -20.898 1.068 -0.425
633 2HG LYS 78 1HG LYS 78 -21.016 -0.676 -0.658
634 1HD LYS 78 2HD LYS 78 -20.927 -0.879 1.891
635 2HD LYS 78 1HD LYS 78 -21.192 0.865 1.937
636 1HE LYS 78 2HE LYS 78 -23.235 0.445 0.431
637 2HE LYS 78 1HE LYS 78 -23.043 -1.270 0.849
638 1HZ LYS 78 1HZ LYS 78 -22.944 -0.549 3.218
639 2HZ LYS 78 3HZ LYS 78 -23.396 1.008 2.721
640 3HZ LYS 78 2HZ LYS 78 -24.455 -0.300 2.483
641 H THR 79 H THR 79 -17.145 -0.804 -2.105
642 HA THR 79 HA THR 79 -19.042 -1.444 -4.285
643 HB THR 79 HB THR 79 -16.577 -0.709 -5.358
644 HG1 THR 79 HG1 THR 79 -15.535 0.343 -3.893
645 1HG2 THR 79 1HG2 THR 79 -18.962 0.934 -4.482
646 2HG2 THR 79 3HG2 THR 79 -17.658 1.580 -5.479
647 3HG2 THR 79 2HG2 THR 79 -18.654 0.254 -6.080
648 H ARG 80 H ARG 80 -17.135 -3.280 -2.398
649 HA ARG 80 HA ARG 80 -16.293 -5.464 -2.650
650 1HB ARG 80 2HB ARG 80 -17.221 -5.245 -5.521
651 2HB ARG 80 1HB ARG 80 -17.105 -6.694 -4.524
652 1HG ARG 80 2HG ARG 80 -19.080 -4.419 -4.245
653 2HG ARG 80 1HG ARG 80 -19.427 -6.115 -4.581
654 1HD ARG 80 2HD ARG 80 -18.374 -4.937 -1.989
655 2HD ARG 80 1HD ARG 80 -19.897 -5.811 -2.244
656 HE ARG 80 HE ARG 80 -17.226 -7.031 -2.071
657 1HH1 ARG 80 2HH1 ARG 80 -20.375 -7.268 -3.439
658 2HH1 ARG 80 1HH1 ARG 80 -20.440 -8.995 -3.328
659 1HH2 ARG 80 1HH2 ARG 80 -17.354 -9.279 -1.774
660 2HH2 ARG 80 2HH2 ARG 80 -18.731 -10.134 -2.386
661 H GLY 81 H GLY 81 -14.380 -3.508 -2.801
662 1HA GLY 81 2HA GLY 81 -12.845 -3.357 -5.187
663 2HA GLY 81 1HA GLY 81 -12.177 -3.171 -3.564
664 H ARG 82 H ARG 82 -10.875 -4.826 -2.789
665 HA ARG 82 HA ARG 82 -11.226 -7.589 -3.637
666 1HB ARG 82 2HB ARG 82 -9.616 -5.706 -5.147
667 2HB ARG 82 1HB ARG 82 -8.650 -7.069 -4.584
668 1HG ARG 82 2HG ARG 82 -10.714 -8.485 -5.431
669 2HG ARG 82 1HG ARG 82 -11.017 -7.060 -6.426
670 1HD ARG 82 2HD ARG 82 -8.378 -8.567 -6.333
671 2HD ARG 82 1HD ARG 82 -9.586 -8.705 -7.626
672 HE ARG 82 HE ARG 82 -8.335 -6.079 -6.910
673 1HH1 ARG 82 1HH2 ARG 82 -10.563 -6.011 -8.855
674 2HH1 ARG 82 2HH2 ARG 82 -9.747 -6.125 -10.379
675 1HH2 ARG 82 2HH1 ARG 82 -6.781 -7.280 -9.002
676 2HH2 ARG 82 1HH1 ARG 82 -7.606 -6.843 -10.462
677 H LYS 83 H LYS 83 -9.927 -8.999 -2.385
678 HA LYS 83 HA LYS 83 -8.295 -7.689 -0.237
679 1HB LYS 83 2HB LYS 83 -9.524 -10.463 -0.315
680 2HB LYS 83 1HB LYS 83 -8.912 -9.608 1.101
681 1HG LYS 83 2HG LYS 83 -10.948 -8.714 1.428
682 2HG LYS 83 1HG LYS 83 -10.839 -7.921 -0.144
683 1HD LYS 83 2HD LYS 83 -11.406 -10.701 -0.561
684 2HD LYS 83 1HD LYS 83 -12.558 -10.058 0.610
685 1HE LYS 83 2HE LYS 83 -12.362 -8.050 -1.339
686 2HE LYS 83 1HE LYS 83 -12.414 -9.570 -2.255
687 1HZ LYS 83 3HZ LYS 83 -14.179 -9.270 0.068
688 2HZ LYS 83 2HZ LYS 83 -14.612 -8.475 -1.370
689 3HZ LYS 83 1HZ LYS 83 -14.414 -10.163 -1.355
690 H LEU 84 H LEU 84 -6.262 -7.659 -1.349
691 HA LEU 84 HA LEU 84 -4.810 -10.170 -1.447
692 1HB LEU 84 2HB LEU 84 -6.450 -9.942 -3.511
693 2HB LEU 84 1HB LEU 84 -5.200 -8.860 -4.125
694 HG LEU 84 HG LEU 84 -3.784 -11.055 -3.156
695 1HD1 LEU 84 2HD1 LEU 84 -6.376 -11.949 -3.435
696 2HD1 LEU 84 1HD1 LEU 84 -5.669 -12.354 -4.999
697 3HD1 LEU 84 3HD1 LEU 84 -4.942 -12.973 -3.514
698 1HD2 LEU 84 1HD2 LEU 84 -3.510 -9.630 -5.266
699 2HD2 LEU 84 3HD2 LEU 84 -3.164 -11.351 -5.446
700 3HD2 LEU 84 2HD2 LEU 84 -4.699 -10.696 -6.016
701 H LEU 85 H LEU 85 -2.756 -9.513 -3.137
702 HA LEU 85 HA LEU 85 -1.940 -6.746 -2.980
703 1HB LEU 85 2HB LEU 85 -0.926 -6.716 -0.942
704 2HB LEU 85 1HB LEU 85 -1.889 -8.143 -0.606
705 HG LEU 85 HG LEU 85 0.859 -8.284 -1.862
706 1HD1 LEU 85 2HD1 LEU 85 0.221 -7.468 0.757
707 2HD1 LEU 85 1HD1 LEU 85 0.702 -9.158 0.895
708 3HD1 LEU 85 3HD1 LEU 85 1.796 -7.985 0.165
709 1HD2 LEU 85 3HD2 LEU 85 -1.249 -10.153 -1.411
710 2HD2 LEU 85 2HD2 LEU 85 0.378 -10.487 -2.003
711 3HD2 LEU 85 1HD2 LEU 85 0.042 -10.541 -0.273
712 H ARG 86 H ARG 86 0.528 -6.614 -3.547
713 HA ARG 86 HA ARG 86 1.460 -9.043 -5.009
714 1HB ARG 86 2HB ARG 86 1.358 -6.305 -6.289
715 2HB ARG 86 1HB ARG 86 1.594 -7.865 -7.077
716 1HG ARG 86 2HG ARG 86 -0.763 -8.430 -6.089
717 2HG ARG 86 1HG ARG 86 -0.932 -6.680 -5.959
718 1HD ARG 86 2HD ARG 86 -0.211 -6.583 -8.430
719 2HD ARG 86 1HD ARG 86 -0.520 -8.331 -8.461
720 HE ARG 86 HE ARG 86 -2.674 -6.711 -7.280
721 1HH1 ARG 86 1HH1 ARG 86 -3.372 -9.011 -10.316
722 2HH1 ARG 86 2HH1 ARG 86 -2.286 -9.408 -9.025
723 1HH2 ARG 86 1HH2 ARG 86 -3.676 -5.683 -9.393
724 2HH2 ARG 86 2HH2 ARG 86 -4.157 -6.902 -10.524
725 H PHE 87 H PHE 87 3.715 -8.509 -6.002
726 HA PHE 87 HA PHE 87 5.294 -6.513 -4.466
727 1HB PHE 87 2HB PHE 87 6.155 -9.404 -4.504
728 2HB PHE 87 1HB PHE 87 6.653 -8.124 -3.403
729 HD1 PHE 87 HD2 PHE 87 3.777 -10.291 -4.368
730 HD2 PHE 87 HD1 PHE 87 5.486 -7.726 -1.375
731 HE1 PHE 87 HE2 PHE 87 2.017 -10.985 -2.764
732 HE2 PHE 87 HE1 PHE 87 3.727 -8.425 0.226
733 HZ PHE 87 HZ PHE 87 2.000 -10.048 -0.479
734 H ASN 88 H ASN 88 5.176 -5.915 -6.982
735 HA ASN 88 HA ASN 88 7.697 -6.923 -8.138
736 1HB ASN 88 2HB ASN 88 5.376 -7.035 -9.985
737 2HB ASN 88 1HB ASN 88 6.829 -8.029 -9.940
738 1HD2 ASN 88 2HD2 ASN 88 3.514 -9.198 -7.858
739 2HD2 ASN 88 1HD2 ASN 88 3.561 -7.682 -8.618
740 H GLY 89 H GLY 89 7.125 -6.007 -10.765
741 1HA GLY 89 2HA GLY 89 6.814 -3.997 -12.019
742 2HA GLY 89 1HA GLY 89 6.434 -3.147 -10.512
743 HA PRO 90 HA PRO 90 11.134 -3.843 -10.122
744 1HB PRO 90 2HB PRO 90 12.411 -5.137 -12.173
745 2HB PRO 90 1HB PRO 90 11.745 -5.964 -10.748
746 1HG PRO 90 2HG PRO 90 10.533 -5.612 -13.460
747 2HG PRO 90 1HG PRO 90 10.603 -7.061 -12.439
748 1HD PRO 90 2HD PRO 90 8.382 -5.573 -12.578
749 2HD PRO 90 1HD PRO 90 8.898 -6.329 -11.050
750 H VAL 91 HN VAL 91 12.540 -2.170 -10.671
751 HA VAL 91 HA VAL 91 11.775 -0.285 -12.700
752 HB VAL 91 HB VAL 91 13.938 0.750 -11.918
753 1HG1 VAL 91 1HG1 VAL 91 11.935 -0.268 -9.899
754 2HG1 VAL 91 3HG1 VAL 91 13.185 0.906 -9.490
755 3HG1 VAL 91 2HG1 VAL 91 11.958 1.307 -10.692
756 1HG2 VAL 91 2HG2 VAL 91 14.383 -1.973 -11.098
757 2HG2 VAL 91 1HG2 VAL 91 15.510 -0.618 -11.064
758 3HG2 VAL 91 3HG2 VAL 91 14.449 -0.916 -9.687
No H/Q in entry = 758
Start of MODEL 18
1 1H GLY 1 3H GLY 1 -10.105 8.461 -9.343
2 2H GLY 1 2H GLY 1 -9.416 6.909 -9.407
3 3H GLY 1 1H GLY 1 -11.105 7.094 -9.408
4 1HA GLY 1 2HA GLY 1 -11.224 7.568 -7.188
5 2HA GLY 1 1HA GLY 1 -9.872 6.436 -7.231
6 H GLU 2 H GLU 2 -9.722 7.983 -5.113
7 HA GLU 2 HA GLU 2 -8.319 10.515 -5.675
8 1HB GLU 2 2HB GLU 2 -10.002 9.905 -3.781
9 2HB GLU 2 1HB GLU 2 -8.613 9.138 -3.008
10 1HG GLU 2 2HG GLU 2 -7.855 11.744 -3.978
11 2HG GLU 2 1HG GLU 2 -9.297 11.885 -2.970
12 H TRP 3 H TRP 3 -6.136 10.896 -4.736
13 HA TRP 3 HA TRP 3 -4.486 8.391 -4.646
14 1HB TRP 3 2HB TRP 3 -2.805 9.607 -5.895
15 2HB TRP 3 1HB TRP 3 -4.344 9.830 -6.727
16 HD1 TRP 3 HD1 TRP 3 -2.150 11.654 -4.119
17 HE1 TRP 3 HE1 TRP 3 -2.489 14.192 -4.418
18 HE3 TRP 3 HE3 TRP 3 -5.716 11.642 -7.774
19 HZ2 TRP 3 HZ2 TRP 3 -4.066 15.980 -5.999
20 HZ3 TRP 3 HZ3 TRP 3 -6.618 13.774 -8.657
21 HH2 TRP 3 HH2 TRP 3 -5.799 15.942 -7.775
22 H GLU 4 H GLU 4 -2.318 8.840 -3.512
23 HA GLU 4 HA GLU 4 -1.922 11.043 -1.745
24 1HB GLU 4 2HB GLU 4 -3.917 10.427 -0.625
25 2HB GLU 4 1HB GLU 4 -3.552 8.707 -0.750
26 1HG GLU 4 2HG GLU 4 -2.414 8.738 1.192
27 2HG GLU 4 1HG GLU 4 -1.431 10.100 0.649
28 H ILE 5 H ILE 5 0.287 10.821 -1.795
29 HA ILE 5 HA ILE 5 1.542 8.156 -1.642
30 HB ILE 5 HB ILE 5 3.554 9.567 -2.120
31 1HG1 ILE 5 2HG1 ILE 5 2.145 11.976 -2.805
32 2HG1 ILE 5 1HG1 ILE 5 1.876 11.604 -1.102
33 1HG2 ILE 5 1HG2 ILE 5 1.530 8.840 -3.801
34 2HG2 ILE 5 3HG2 ILE 5 1.599 10.579 -4.079
35 3HG2 ILE 5 2HG2 ILE 5 3.035 9.588 -4.336
36 1HD1 ILE 5 3HD1 ILE 5 4.659 11.259 -2.063
37 2HD1 ILE 5 2HD1 ILE 5 4.071 12.921 -2.008
38 3HD1 ILE 5 1HD1 ILE 5 4.066 11.936 -0.546
39 H ILE 6 H ILE 6 3.682 8.245 -0.219
40 HA ILE 6 HA ILE 6 2.937 9.358 2.469
41 HB ILE 6 HB ILE 6 4.660 7.357 3.050
42 1HG1 ILE 6 2HG1 ILE 6 4.769 6.906 0.490
43 2HG1 ILE 6 1HG1 ILE 6 4.535 5.525 1.562
44 1HG2 ILE 6 1HG2 ILE 6 2.319 7.700 3.861
45 2HG2 ILE 6 3HG2 ILE 6 1.738 6.895 2.403
46 3HG2 ILE 6 2HG2 ILE 6 2.720 6.009 3.567
47 1HD1 ILE 6 2HD1 ILE 6 1.994 6.750 0.842
48 2HD1 ILE 6 1HD1 ILE 6 2.897 6.255 -0.590
49 3HD1 ILE 6 3HD1 ILE 6 2.515 5.075 0.663
50 H ASP 7 H ASP 7 5.386 9.021 3.759
51 HA ASP 7 HA ASP 7 7.315 10.551 2.060
52 1HB ASP 7 2HB ASP 7 5.924 11.274 4.578
53 2HB ASP 7 1HB ASP 7 7.637 11.689 4.507
54 H ILE 8 H ILE 8 7.464 7.783 2.668
55 HA ILE 8 HA ILE 8 9.031 6.202 3.452
56 HB ILE 8 HB ILE 8 10.718 8.661 3.943
57 1HG1 ILE 8 2HG1 ILE 8 9.888 7.292 1.379
58 2HG1 ILE 8 1HG1 ILE 8 9.817 9.009 1.770
59 1HG2 ILE 8 1HG2 ILE 8 11.155 5.885 4.160
60 2HG2 ILE 8 3HG2 ILE 8 11.958 6.378 2.670
61 3HG2 ILE 8 2HG2 ILE 8 12.375 7.158 4.196
62 1HD1 ILE 8 3HD1 ILE 8 12.462 8.617 2.088
63 2HD1 ILE 8 2HD1 ILE 8 12.138 7.363 0.892
64 3HD1 ILE 8 1HD1 ILE 8 11.753 9.045 0.532
65 H GLY 9 H GLY 9 7.203 6.724 5.282
66 1HA GLY 9 2HA GLY 9 8.704 6.497 7.810
67 2HA GLY 9 1HA GLY 9 7.577 7.848 7.726
68 HA PRO 10 HA PRO 10 4.258 5.243 8.761
69 1HB PRO 10 2HB PRO 10 2.253 5.862 7.007
70 2HB PRO 10 1HB PRO 10 2.798 6.956 8.292
71 1HG PRO 10 2HG PRO 10 3.352 7.030 5.387
72 2HG PRO 10 1HG PRO 10 3.192 8.357 6.544
73 1HD PRO 10 2HD PRO 10 5.582 7.363 5.556
74 2HD PRO 10 1HD PRO 10 5.412 8.348 7.022
75 H PHE 11 H PHE 11 3.509 5.171 5.272
76 HA PHE 11 HA PHE 11 2.781 2.484 5.140
77 1HB PHE 11 2HB PHE 11 3.918 4.494 3.232
78 2HB PHE 11 1HB PHE 11 3.709 2.829 2.678
79 HD1 PHE 11 HD1 PHE 11 1.663 4.731 5.153
80 HD2 PHE 11 HD2 PHE 11 1.808 2.939 1.252
81 HE1 PHE 11 HE1 PHE 11 -0.771 5.114 4.890
82 HE2 PHE 11 HE2 PHE 11 -0.634 3.324 0.993
83 HZ PHE 11 HZ PHE 11 -1.918 4.411 2.810
84 H THR 12 H THR 12 6.040 3.803 5.319
85 HA THR 12 HA THR 12 7.564 1.606 4.393
86 HB THR 12 HB THR 12 9.290 2.660 5.705
87 HG1 THR 12 HG1 THR 12 8.313 4.408 7.196
88 1HG2 THR 12 3HG2 THR 12 8.123 3.996 3.827
89 2HG2 THR 12 2HG2 THR 12 7.421 4.937 5.134
90 3HG2 THR 12 1HG2 THR 12 9.168 4.881 4.934
91 H GLN 13 H GLN 13 6.630 2.464 7.722
92 HA GLN 13 HA GLN 13 7.368 -0.044 8.903
93 1HB GLN 13 2HB GLN 13 5.977 2.440 9.592
94 2HB GLN 13 1HB GLN 13 5.328 1.043 10.451
95 1HG GLN 13 2HG GLN 13 8.303 1.433 10.289
96 2HG GLN 13 1HG GLN 13 7.367 2.346 11.473
97 1HE2 GLN 13 2HE2 GLN 13 8.217 -1.506 12.220
98 2HE2 GLN 13 1HE2 GLN 13 8.934 -0.630 10.955
99 H ASN 14 H ASN 14 4.592 1.019 7.146
100 HA ASN 14 HA ASN 14 2.755 -1.059 7.981
101 1HB ASN 14 2HB ASN 14 2.503 1.297 6.741
102 2HB ASN 14 1HB ASN 14 2.599 0.266 5.312
103 1HD2 ASN 14 2HD2 ASN 14 -0.698 -0.905 5.671
104 2HD2 ASN 14 1HD2 ASN 14 0.683 -0.768 4.693
105 H LEU 15 H LEU 15 4.552 -0.543 4.975
106 HA LEU 15 HA LEU 15 4.064 -2.881 3.592
107 1HB LEU 15 2HB LEU 15 5.530 -1.003 2.888
108 2HB LEU 15 1HB LEU 15 6.744 -1.528 4.051
109 HG LEU 15 HG LEU 15 7.075 -2.298 1.622
110 1HD1 LEU 15 2HD1 LEU 15 7.940 -3.338 3.897
111 2HD1 LEU 15 1HD1 LEU 15 6.869 -4.664 3.448
112 3HD1 LEU 15 3HD1 LEU 15 8.185 -4.192 2.374
113 1HD2 LEU 15 2HD2 LEU 15 4.795 -4.126 2.446
114 2HD2 LEU 15 1HD2 LEU 15 4.742 -2.926 1.158
115 3HD2 LEU 15 3HD2 LEU 15 5.788 -4.335 1.006
116 H GLY 16 H GLY 16 7.035 -2.634 5.566
117 1HA GLY 16 2HA GLY 16 7.688 -5.301 5.775
118 2HA GLY 16 1HA GLY 16 7.927 -4.185 7.121
119 H LYS 17 H LYS 17 5.146 -3.632 7.599
120 HA LYS 17 HA LYS 17 4.473 -5.949 9.226
121 1HB LYS 17 2HB LYS 17 3.733 -3.159 8.881
122 2HB LYS 17 1HB LYS 17 2.315 -4.175 9.145
123 1HG LYS 17 2HG LYS 17 2.994 -4.819 11.259
124 2HG LYS 17 1HG LYS 17 4.706 -4.627 10.883
125 1HD LYS 17 2HD LYS 17 4.508 -2.207 10.959
126 2HD LYS 17 1HD LYS 17 2.759 -2.321 11.168
127 1HE LYS 17 2HE LYS 17 3.531 -2.007 13.381
128 2HE LYS 17 1HE LYS 17 3.377 -3.772 13.277
129 1HZ LYS 17 2HZ LYS 17 5.863 -2.482 12.383
130 2HZ LYS 17 1HZ LYS 17 5.616 -2.727 14.046
131 3HZ LYS 17 3HZ LYS 17 5.624 -4.052 12.987
132 H PHE 18 H PHE 18 2.109 -4.264 7.290
133 HA PHE 18 HA PHE 18 0.416 -6.380 6.759
134 1HB PHE 18 2HB PHE 18 -0.660 -4.761 5.597
135 2HB PHE 18 1HB PHE 18 0.686 -3.719 6.037
136 HD1 PHE 18 HD2 PHE 18 -0.823 -5.756 3.370
137 HD2 PHE 18 HD1 PHE 18 2.458 -3.201 4.436
138 HE1 PHE 18 HE2 PHE 18 -0.221 -5.531 0.977
139 HE2 PHE 18 HE1 PHE 18 3.061 -2.977 2.037
140 HZ PHE 18 HZ PHE 18 1.721 -4.143 0.309
141 H ALA 19 H ALA 19 3.469 -5.731 5.201
142 HA ALA 19 HA ALA 19 3.153 -7.437 2.911
143 1HB ALA 19 2HB ALA 19 4.967 -5.765 3.269
144 2HB ALA 19 1HB ALA 19 5.633 -6.787 4.541
145 3HB ALA 19 3HB ALA 19 5.612 -7.356 2.873
146 H VAL 20 H VAL 20 5.236 -8.191 5.719
147 HA VAL 20 HA VAL 20 5.501 -10.917 5.424
148 HB VAL 20 HB VAL 20 6.504 -9.523 7.202
149 1HG1 VAL 20 3HG1 VAL 20 3.633 -9.330 8.022
150 2HG1 VAL 20 2HG1 VAL 20 4.860 -9.343 9.289
151 3HG1 VAL 20 1HG1 VAL 20 4.892 -8.094 8.043
152 1HG2 VAL 20 3HG2 VAL 20 6.306 -12.035 7.424
153 2HG2 VAL 20 2HG2 VAL 20 6.439 -11.177 8.960
154 3HG2 VAL 20 1HG2 VAL 20 4.871 -11.771 8.414
155 H ASP 21 H ASP 21 2.562 -9.208 6.340
156 HA ASP 21 HA ASP 21 1.195 -11.718 7.123
157 1HB ASP 21 2HB ASP 21 0.964 -8.928 7.630
158 2HB ASP 21 1HB ASP 21 -0.518 -9.419 6.808
159 H GLU 22 H GLU 22 0.160 -9.110 4.870
160 HA GLU 22 HA GLU 22 -1.480 -10.860 3.336
161 1HB GLU 22 2HB GLU 22 -0.113 -8.232 2.705
162 2HB GLU 22 1HB GLU 22 -1.311 -8.973 1.642
163 1HG GLU 22 2HG GLU 22 -2.206 -8.863 4.424
164 2HG GLU 22 1HG GLU 22 -1.860 -7.264 3.764
165 H GLU 23 H GLU 23 1.897 -9.937 2.981
166 HA GLU 23 HA GLU 23 2.385 -11.246 0.474
167 1HB GLU 23 2HB GLU 23 3.792 -9.548 1.851
168 2HB GLU 23 1HB GLU 23 4.370 -10.962 2.732
169 1HG GLU 23 2HG GLU 23 4.524 -11.630 -0.011
170 2HG GLU 23 1HG GLU 23 5.177 -9.998 0.134
171 H ASN 24 H ASN 24 2.968 -12.338 3.835
172 HA ASN 24 HA ASN 24 3.676 -15.032 3.050
173 1HB ASN 24 2HB ASN 24 4.166 -13.800 5.233
174 2HB ASN 24 1HB ASN 24 2.476 -14.060 5.667
175 1HD2 ASN 24 2HD2 ASN 24 5.039 -16.977 6.447
176 2HD2 ASN 24 1HD2 ASN 24 5.460 -15.348 6.226
177 H LYS 25 H LYS 25 0.670 -13.488 4.194
178 HA LYS 25 HA LYS 25 -0.995 -15.791 4.147
179 1HB LYS 25 2HB LYS 25 -1.438 -13.476 5.088
180 2HB LYS 25 1HB LYS 25 -1.751 -12.952 3.433
181 1HG LYS 25 2HG LYS 25 -3.846 -13.757 3.551
182 2HG LYS 25 1HG LYS 25 -3.221 -15.365 3.917
183 1HD LYS 25 2HD LYS 25 -4.087 -15.145 5.985
184 2HD LYS 25 1HD LYS 25 -2.884 -13.892 6.286
185 1HE LYS 25 2HE LYS 25 -4.823 -12.556 4.804
186 2HE LYS 25 1HE LYS 25 -5.767 -13.611 5.874
187 1HZ LYS 25 2HZ LYS 25 -3.428 -12.139 6.905
188 2HZ LYS 25 1HZ LYS 25 -4.936 -11.364 6.790
189 3HZ LYS 25 3HZ LYS 25 -4.767 -12.748 7.757
190 H ILE 26 H ILE 26 -0.237 -13.454 1.598
191 HA ILE 26 HA ILE 26 -1.948 -14.619 -0.397
192 HB ILE 26 HB ILE 26 -0.715 -12.301 -0.252
193 1HG1 ILE 26 2HG1 ILE 26 -2.268 -13.010 -2.048
194 2HG1 ILE 26 1HG1 ILE 26 -0.932 -12.042 -2.675
195 1HG2 ILE 26 2HG2 ILE 26 1.502 -13.960 -0.622
196 2HG2 ILE 26 1HG2 ILE 26 1.225 -13.247 -2.208
197 3HG2 ILE 26 3HG2 ILE 26 1.470 -12.209 -0.807
198 1HD1 ILE 26 3HD1 ILE 26 0.185 -14.473 -2.906
199 2HD1 ILE 26 2HD1 ILE 26 -1.510 -14.942 -3.046
200 3HD1 ILE 26 1HD1 ILE 26 -0.819 -13.779 -4.178
201 H GLY 27 H GLY 27 1.152 -15.505 0.832
202 1HA GLY 27 2HA GLY 27 1.788 -17.896 0.353
203 2HA GLY 27 1HA GLY 27 1.383 -17.565 -1.332
204 H GLN 28 H GLN 28 3.119 -15.366 0.821
205 HA GLN 28 HA GLN 28 5.620 -15.860 -0.751
206 1HB GLN 28 2HB GLN 28 3.895 -13.478 -0.534
207 2HB GLN 28 1HB GLN 28 5.604 -13.147 -0.253
208 1HG GLN 28 2HG GLN 28 4.497 -14.631 -2.655
209 2HG GLN 28 1HG GLN 28 5.004 -12.941 -2.655
210 1HE2 GLN 28 2HE2 GLN 28 7.817 -15.894 -2.744
211 2HE2 GLN 28 1HE2 GLN 28 6.175 -16.275 -2.538
212 H TYR 29 H TYR 29 5.902 -17.095 1.408
213 HA TYR 29 HA TYR 29 6.596 -15.306 3.685
214 1HB TYR 29 2HB TYR 29 5.123 -17.155 4.178
215 2HB TYR 29 1HB TYR 29 6.182 -18.290 3.342
216 HD1 TYR 29 HD1 TYR 29 7.320 -15.539 5.554
217 HD2 TYR 29 HD2 TYR 29 6.671 -19.768 5.172
218 HE1 TYR 29 HE1 TYR 29 8.577 -15.922 7.657
219 HE2 TYR 29 HE2 TYR 29 7.928 -20.151 7.276
220 HH TYR 29 HH TYR 29 9.937 -18.497 8.541
221 H GLY 30 H GLY 30 8.241 -15.637 1.181
222 1HA GLY 30 2HA GLY 30 10.457 -17.244 1.271
223 2HA GLY 30 1HA GLY 30 10.590 -15.537 0.844
224 H ARG 31 H ARG 31 9.870 -14.442 3.378
225 HA ARG 31 HA ARG 31 11.199 -15.465 5.640
226 1HB ARG 31 2HB ARG 31 12.940 -14.525 3.483
227 2HB ARG 31 1HB ARG 31 13.269 -13.704 5.009
228 1HG ARG 31 2HG ARG 31 12.877 -16.656 5.122
229 2HG ARG 31 1HG ARG 31 14.378 -16.073 4.401
230 1HD ARG 31 2HD ARG 31 14.704 -14.629 6.462
231 2HD ARG 31 1HD ARG 31 13.336 -15.492 7.192
232 HE ARG 31 HE ARG 31 14.940 -17.530 6.237
233 1HH1 ARG 31 1HH2 ARG 31 14.517 -16.365 9.161
234 2HH1 ARG 31 2HH2 ARG 31 16.164 -16.387 9.697
235 1HH2 ARG 31 2HH1 ARG 31 17.469 -16.877 6.522
236 2HH2 ARG 31 1HH1 ARG 31 17.836 -16.677 8.203
237 H LEU 32 H LEU 32 12.170 -12.320 4.391
238 HA LEU 32 HA LEU 32 10.238 -11.038 6.297
239 1HB LEU 32 2HB LEU 32 12.923 -9.952 5.429
240 2HB LEU 32 1HB LEU 32 11.971 -9.496 6.842
241 HG LEU 32 HG LEU 32 12.324 -12.214 7.199
242 1HD1 LEU 32 2HD1 LEU 32 13.987 -11.989 5.238
243 2HD1 LEU 32 1HD1 LEU 32 15.007 -11.103 6.371
244 3HD1 LEU 32 3HD1 LEU 32 14.572 -12.779 6.702
245 1HD2 LEU 32 2HD2 LEU 32 13.680 -9.740 8.234
246 2HD2 LEU 32 1HD2 LEU 32 12.563 -10.824 9.064
247 3HD2 LEU 32 3HD2 LEU 32 14.231 -11.325 8.779
248 H THR 33 H THR 33 10.204 -8.518 5.605
249 HA THR 33 HA THR 33 10.199 -8.160 2.673
250 HB THR 33 HB THR 33 7.633 -7.367 3.774
251 HG1 THR 33 HG1 THR 33 7.203 -9.872 3.821
252 1HG2 THR 33 1HG2 THR 33 8.189 -7.749 1.372
253 2HG2 THR 33 3HG2 THR 33 8.364 -9.470 1.718
254 3HG2 THR 33 2HG2 THR 33 6.794 -8.688 1.902
255 H PHE 34 H PHE 34 11.806 -6.862 4.503
256 HA PHE 34 HA PHE 34 11.245 -4.087 4.037
257 1HB PHE 34 2HB PHE 34 9.516 -4.970 5.822
258 2HB PHE 34 1HB PHE 34 10.880 -4.829 6.929
259 HD1 PHE 34 HD2 PHE 34 9.797 -2.749 4.001
260 HD2 PHE 34 HD1 PHE 34 10.610 -2.900 8.216
261 HE1 PHE 34 HE2 PHE 34 9.422 -0.303 4.160
262 HE2 PHE 34 HE1 PHE 34 10.234 -0.455 8.376
263 HZ PHE 34 HZ PHE 34 9.640 0.844 6.349
264 H ASN 35 H ASN 35 13.464 -3.808 3.650
265 HA ASN 35 HA ASN 35 15.227 -3.859 6.027
266 1HB ASN 35 2HB ASN 35 15.163 -6.147 4.871
267 2HB ASN 35 1HB ASN 35 15.968 -5.366 3.510
268 1HD2 ASN 35 2HD2 ASN 35 18.774 -6.608 5.496
269 2HD2 ASN 35 1HD2 ASN 35 17.611 -7.192 4.407
270 H LYS 36 H LYS 36 15.174 -3.460 2.462
271 HA LYS 36 HA LYS 36 17.408 -1.643 2.398
272 1HB LYS 36 2HB LYS 36 15.271 -2.645 0.580
273 2HB LYS 36 1HB LYS 36 16.133 -1.187 0.084
274 1HG LYS 36 2HG LYS 36 17.444 -3.799 0.895
275 2HG LYS 36 1HG LYS 36 17.240 -3.240 -0.764
276 1HD LYS 36 2HD LYS 36 19.214 -2.173 -0.551
277 2HD LYS 36 1HD LYS 36 18.412 -1.076 0.575
278 1HE LYS 36 2HE LYS 36 19.261 -2.157 2.448
279 2HE LYS 36 1HE LYS 36 19.376 -3.721 1.617
280 1HZ LYS 36 2HZ LYS 36 21.014 -1.336 0.940
281 2HZ LYS 36 1HZ LYS 36 21.558 -2.623 1.907
282 3HZ LYS 36 3HZ LYS 36 21.166 -2.894 0.280
283 H VAL 37 H VAL 37 14.613 -0.343 0.780
284 HA VAL 37 HA VAL 37 14.052 1.619 2.924
285 HB VAL 37 HB VAL 37 15.619 2.161 0.405
286 1HG1 VAL 37 1HG1 VAL 37 14.154 4.175 2.139
287 2HG1 VAL 37 3HG1 VAL 37 15.330 4.584 0.890
288 3HG1 VAL 37 2HG1 VAL 37 13.808 3.811 0.448
289 1HG2 VAL 37 1HG2 VAL 37 16.001 2.441 3.364
290 2HG2 VAL 37 3HG2 VAL 37 17.120 1.830 2.145
291 3HG2 VAL 37 2HG2 VAL 37 16.841 3.565 2.296
292 H ILE 38 H ILE 38 12.484 3.341 2.066
293 HA ILE 38 HA ILE 38 10.757 2.323 -0.159
294 HB ILE 38 HB ILE 38 9.637 1.539 1.765
295 1HG1 ILE 38 2HG1 ILE 38 8.271 4.121 2.015
296 2HG1 ILE 38 1HG1 ILE 38 8.507 3.631 0.341
297 1HG2 ILE 38 2HG2 ILE 38 11.212 2.823 3.331
298 2HG2 ILE 38 1HG2 ILE 38 10.077 4.167 3.195
299 3HG2 ILE 38 3HG2 ILE 38 9.549 2.630 3.872
300 1HD1 ILE 38 2HD1 ILE 38 7.653 1.428 2.076
301 2HD1 ILE 38 1HD1 ILE 38 6.476 2.738 1.986
302 3HD1 ILE 38 3HD1 ILE 38 7.016 1.935 0.512
303 H ARG 39 H ARG 39 11.508 4.035 -1.511
304 HA ARG 39 HA ARG 39 10.996 6.814 -0.534
305 1HB ARG 39 2HB ARG 39 13.046 5.511 -2.034
306 2HB ARG 39 1HB ARG 39 12.275 6.690 -3.095
307 1HG ARG 39 2HG ARG 39 12.480 8.321 -1.092
308 2HG ARG 39 1HG ARG 39 13.639 7.159 -0.446
309 1HD ARG 39 2HD ARG 39 15.162 7.503 -2.206
310 2HD ARG 39 1HD ARG 39 13.912 8.162 -3.281
311 HE ARG 39 HE ARG 39 13.786 10.097 -1.589
312 1HH1 ARG 39 1HH2 ARG 39 15.573 9.666 0.490
313 2HH1 ARG 39 2HH2 ARG 39 17.120 10.205 -0.071
314 1HH2 ARG 39 2HH1 ARG 39 16.224 10.142 -3.420
315 2HH2 ARG 39 1HH1 ARG 39 17.489 10.474 -2.285
316 HA PRO 40 HA PRO 40 8.573 6.667 -4.557
317 1HB PRO 40 2HB PRO 40 8.709 4.465 -6.185
318 2HB PRO 40 1HB PRO 40 9.858 5.813 -6.259
319 1HG PRO 40 2HG PRO 40 10.251 3.100 -5.259
320 2HG PRO 40 1HG PRO 40 11.441 4.307 -5.745
321 1HD PRO 40 2HD PRO 40 10.647 3.585 -3.089
322 2HD PRO 40 1HD PRO 40 11.852 4.787 -3.589
323 H CYS 41 H CYS 41 7.610 5.761 -2.161
324 HA CYS 41 HA CYS 41 5.716 3.537 -2.800
325 1HB CYS 41 2HB CYS 41 5.398 3.572 -0.310
326 2HB CYS 41 1HB CYS 41 7.069 3.279 -0.788
327 HG CYS 41 HG CYS 41 6.418 6.237 -0.251
328 H MET 42 H MET 42 3.732 4.222 -3.498
329 HA MET 42 HA MET 42 2.629 6.775 -2.363
330 1HB MET 42 2HB MET 42 2.338 5.616 -5.155
331 2HB MET 42 1HB MET 42 1.682 7.156 -4.603
332 1HG MET 42 2HG MET 42 3.964 7.974 -4.146
333 2HG MET 42 1HG MET 42 4.625 6.433 -4.692
334 1HE MET 42 3HE MET 42 3.971 5.342 -6.611
335 2HE MET 42 2HE MET 42 3.483 6.010 -8.167
336 3HE MET 42 1HE MET 42 5.164 6.130 -7.653
337 H LYS 43 H LYS 43 0.114 6.788 -2.806
338 HA LYS 43 HA LYS 43 -1.097 4.085 -2.731
339 1HB LYS 43 2HB LYS 43 -0.433 4.481 -0.433
340 2HB LYS 43 1HB LYS 43 -1.152 6.090 -0.458
341 1HG LYS 43 2HG LYS 43 -3.069 4.052 -1.262
342 2HG LYS 43 1HG LYS 43 -2.419 3.734 0.346
343 1HD LYS 43 2HD LYS 43 -2.938 6.092 0.981
344 2HD LYS 43 1HD LYS 43 -3.691 6.320 -0.598
345 1HE LYS 43 2HE LYS 43 -5.147 4.263 0.003
346 2HE LYS 43 1HE LYS 43 -4.603 4.542 1.669
347 1HZ LYS 43 2HZ LYS 43 -5.173 6.993 1.109
348 2HZ LYS 43 1HZ LYS 43 -6.166 6.312 -0.090
349 3HZ LYS 43 3HZ LYS 43 -6.423 5.928 1.542
350 H LYS 44 H LYS 44 -3.210 4.115 -3.481
351 HA LYS 44 HA LYS 44 -4.580 6.757 -3.771
352 1HB LYS 44 2HB LYS 44 -4.277 4.622 -5.911
353 2HB LYS 44 1HB LYS 44 -5.080 6.181 -6.101
354 1HG LYS 44 2HG LYS 44 -2.790 7.175 -5.332
355 2HG LYS 44 1HG LYS 44 -2.145 5.598 -5.790
356 1HD LYS 44 2HD LYS 44 -2.773 5.859 -8.046
357 2HD LYS 44 1HD LYS 44 -3.919 7.147 -7.671
358 1HE LYS 44 2HE LYS 44 -2.310 8.734 -7.873
359 2HE LYS 44 1HE LYS 44 -1.206 7.831 -6.817
360 1HZ LYS 44 3HZ LYS 44 -1.776 6.799 -9.507
361 2HZ LYS 44 2HZ LYS 44 -0.672 8.080 -9.345
362 3HZ LYS 44 1HZ LYS 44 -0.387 6.603 -8.554
363 H THR 45 H THR 45 -6.582 6.543 -2.846
364 HA THR 45 HA THR 45 -7.789 3.805 -2.685
365 HB THR 45 HB THR 45 -7.997 6.351 -1.062
366 HG1 THR 45 HG1 THR 45 -7.614 3.826 0.016
367 1HG2 THR 45 3HG2 THR 45 -10.247 4.954 -1.508
368 2HG2 THR 45 2HG2 THR 45 -9.551 3.931 -0.259
369 3HG2 THR 45 1HG2 THR 45 -9.874 5.627 0.073
370 H ILE 46 H ILE 46 -10.052 3.574 -3.137
371 HA ILE 46 HA ILE 46 -11.243 5.793 -4.767
372 HB ILE 46 HB ILE 46 -10.561 3.731 -6.038
373 1HG1 ILE 46 2HG1 ILE 46 -13.519 4.298 -5.706
374 2HG1 ILE 46 1HG1 ILE 46 -12.429 4.949 -6.930
375 1HG2 ILE 46 3HG2 ILE 46 -11.349 2.392 -3.775
376 2HG2 ILE 46 2HG2 ILE 46 -12.716 2.106 -4.850
377 3HG2 ILE 46 1HG2 ILE 46 -11.091 1.633 -5.345
378 1HD1 ILE 46 3HD1 ILE 46 -12.061 2.544 -7.696
379 2HD1 ILE 46 2HD1 ILE 46 -13.417 2.102 -6.658
380 3HD1 ILE 46 1HD1 ILE 46 -13.664 3.208 -8.009
381 H TYR 47 H TYR 47 -12.543 6.701 -3.129
382 HA TYR 47 HA TYR 47 -14.106 4.774 -1.474
383 1HB TYR 47 2HB TYR 47 -14.292 6.811 0.027
384 2HB TYR 47 1HB TYR 47 -12.660 6.191 -0.208
385 HD1 TYR 47 HD2 TYR 47 -15.070 8.658 -1.675
386 HD2 TYR 47 HD1 TYR 47 -10.969 7.645 -0.904
387 HE1 TYR 47 HE2 TYR 47 -14.359 10.862 -2.563
388 HE2 TYR 47 HE1 TYR 47 -10.258 9.850 -1.788
389 HH TYR 47 HH TYR 47 -11.205 12.084 -2.129
390 H GLU 48 H GLU 48 -16.095 6.129 -0.553
391 HA GLU 48 HA GLU 48 -18.053 6.229 -2.644
392 1HB GLU 48 2HB GLU 48 -19.498 6.654 -0.772
393 2HB GLU 48 1HB GLU 48 -18.209 5.593 -0.211
394 1HG GLU 48 2HG GLU 48 -17.692 8.513 0.047
395 2HG GLU 48 1HG GLU 48 -18.922 7.843 1.109
396 H ASN 49 H ASN 49 -19.448 8.538 -1.286
397 HA ASN 49 HA ASN 49 -17.878 10.854 -2.365
398 1HB ASN 49 2HB ASN 49 -19.715 9.626 -3.894
399 2HB ASN 49 1HB ASN 49 -20.801 10.659 -2.964
400 1HD2 ASN 49 2HD2 ASN 49 -20.090 13.281 -5.209
401 2HD2 ASN 49 1HD2 ASN 49 -21.271 12.330 -4.446
402 H GLU 50 H GLU 50 -20.721 9.695 -0.607
403 HA GLU 50 HA GLU 50 -20.318 11.346 1.685
404 1HB GLU 50 2HB GLU 50 -20.793 13.160 0.111
405 2HB GLU 50 1HB GLU 50 -22.264 12.347 -0.423
406 1HG GLU 50 2HG GLU 50 -22.271 12.618 2.455
407 2HG GLU 50 1HG GLU 50 -22.017 14.191 1.697
408 H ARG 51 H ARG 51 -21.209 8.632 0.824
409 HA ARG 51 HA ARG 51 -23.477 8.375 2.660
410 1HB ARG 51 2HB ARG 51 -24.259 9.219 0.321
411 2HB ARG 51 1HB ARG 51 -23.962 7.559 -0.196
412 1HG ARG 51 2HG ARG 51 -25.746 6.742 0.962
413 2HG ARG 51 1HG ARG 51 -25.486 7.832 2.324
414 1HD ARG 51 2HD ARG 51 -26.284 9.697 0.655
415 2HD ARG 51 1HD ARG 51 -27.003 8.334 -0.228
416 HE ARG 51 HE ARG 51 -27.800 9.258 2.452
417 1HH1 ARG 51 2HH1 ARG 51 -28.975 7.831 -0.252
418 2HH1 ARG 51 1HH1 ARG 51 -29.830 6.547 0.535
419 1HH2 ARG 51 1HH2 ARG 51 -28.391 7.132 3.635
420 2HH2 ARG 51 2HH2 ARG 51 -29.500 6.152 2.735
421 H GLU 52 H GLU 52 -21.200 6.861 0.370
422 HA GLU 52 HA GLU 52 -21.642 4.279 1.872
423 1HB GLU 52 2HB GLU 52 -21.399 3.117 -0.241
424 2HB GLU 52 1HB GLU 52 -22.623 4.371 -0.439
425 1HG GLU 52 2HG GLU 52 -21.016 5.849 -1.501
426 2HG GLU 52 1HG GLU 52 -19.706 4.711 -1.184
427 H ILE 53 H ILE 53 -19.586 2.977 0.343
428 HA ILE 53 HA ILE 53 -17.066 4.452 0.733
429 HB ILE 53 HB ILE 53 -18.047 2.259 2.565
430 1HG1 ILE 53 2HG1 ILE 53 -16.935 5.053 2.874
431 2HG1 ILE 53 1HG1 ILE 53 -18.486 4.428 3.431
432 1HG2 ILE 53 2HG2 ILE 53 -15.792 1.653 1.650
433 2HG2 ILE 53 1HG2 ILE 53 -15.177 3.192 2.255
434 3HG2 ILE 53 3HG2 ILE 53 -15.771 1.975 3.385
435 1HD1 ILE 53 3HD1 ILE 53 -17.020 2.791 4.855
436 2HD1 ILE 53 2HD1 ILE 53 -15.747 3.979 4.584
437 3HD1 ILE 53 1HD1 ILE 53 -17.232 4.452 5.407
438 H LYS 54 H LYS 54 -15.746 3.743 -0.904
439 HA LYS 54 HA LYS 54 -16.446 1.238 -2.300
440 1HB LYS 54 2HB LYS 54 -14.993 3.748 -2.828
441 2HB LYS 54 1HB LYS 54 -14.356 2.323 -3.652
442 1HG LYS 54 2HG LYS 54 -16.471 1.862 -4.684
443 2HG LYS 54 1HG LYS 54 -17.292 3.053 -3.675
444 1HD LYS 54 2HD LYS 54 -15.835 4.826 -4.724
445 2HD LYS 54 1HD LYS 54 -15.249 3.597 -5.845
446 1HE LYS 54 2HE LYS 54 -18.215 3.890 -5.551
447 2HE LYS 54 1HE LYS 54 -17.342 5.124 -6.482
448 1HZ LYS 54 1HZ LYS 54 -16.651 2.307 -6.902
449 2HZ LYS 54 3HZ LYS 54 -18.084 2.883 -7.602
450 3HZ LYS 54 2HZ LYS 54 -16.597 3.606 -7.995
451 H GLY 55 H GLY 55 -13.081 2.498 -1.711
452 1HA GLY 55 2HA GLY 55 -12.370 0.337 0.037
453 2HA GLY 55 1HA GLY 55 -12.031 -0.147 -1.625
454 H TYR 56 H TYR 56 -9.822 -0.069 -0.237
455 HA TYR 56 HA TYR 56 -8.541 2.545 -0.955
456 1HB TYR 56 2HB TYR 56 -8.129 0.850 1.530
457 2HB TYR 56 1HB TYR 56 -7.273 2.346 1.163
458 HD1 TYR 56 HD2 TYR 56 -10.755 0.994 1.516
459 HD2 TYR 56 HD1 TYR 56 -8.145 4.384 1.907
460 HE1 TYR 56 HE2 TYR 56 -12.606 2.305 2.519
461 HE2 TYR 56 HE1 TYR 56 -9.996 5.694 2.910
462 HH TYR 56 HH TYR 56 -12.462 5.678 2.919
463 H GLU 57 H GLU 57 -6.981 2.123 -2.459
464 HA GLU 57 HA GLU 57 -5.438 -0.434 -2.208
465 1HB GLU 57 2HB GLU 57 -6.184 1.088 -4.725
466 2HB GLU 57 1HB GLU 57 -5.409 -0.495 -4.647
467 1HG GLU 57 2HG GLU 57 -7.409 -1.510 -4.479
468 2HG GLU 57 1HG GLU 57 -7.818 -0.532 -3.069
469 H TYR 58 H TYR 58 -3.175 -0.226 -3.139
470 HA TYR 58 HA TYR 58 -2.199 2.543 -3.470
471 1HB TYR 58 2HB TYR 58 -1.224 2.789 -1.420
472 2HB TYR 58 1HB TYR 58 -2.475 1.652 -0.944
473 HD1 TYR 58 HD1 TYR 58 -1.325 -0.894 -2.156
474 HD2 TYR 58 HD2 TYR 58 0.549 2.272 0.059
475 HE1 TYR 58 HE1 TYR 58 0.385 -2.472 -1.323
476 HE2 TYR 58 HE2 TYR 58 2.246 0.687 0.889
477 HH TYR 58 HH TYR 58 3.180 -1.387 0.466
478 H GLN 59 H GLN 59 0.135 2.642 -3.848
479 HA GLN 59 HA GLN 59 1.266 0.106 -4.973
480 1HB GLN 59 2HB GLN 59 2.247 1.586 -6.734
481 2HB GLN 59 1HB GLN 59 0.485 1.676 -6.730
482 1HG GLN 59 2HG GLN 59 0.662 3.717 -5.269
483 2HG GLN 59 1HG GLN 59 2.411 3.665 -5.496
484 1HE2 GLN 59 2HE2 GLN 59 1.704 4.076 -9.214
485 2HE2 GLN 59 1HE2 GLN 59 2.254 2.749 -8.310
486 H LEU 60 H LEU 60 3.080 -0.380 -3.791
487 HA LEU 60 HA LEU 60 4.513 1.857 -2.418
488 1HB LEU 60 2HB LEU 60 3.257 0.025 -1.149
489 2HB LEU 60 1HB LEU 60 4.487 -1.091 -1.725
490 HG LEU 60 HG LEU 60 6.080 0.882 -0.759
491 1HD1 LEU 60 3HD1 LEU 60 3.583 1.720 0.076
492 2HD1 LEU 60 2HD1 LEU 60 4.159 0.818 1.477
493 3HD1 LEU 60 1HD1 LEU 60 5.100 2.169 0.849
494 1HD2 LEU 60 1HD2 LEU 60 5.826 -1.668 -0.204
495 2HD2 LEU 60 3HD2 LEU 60 6.569 -0.606 0.993
496 3HD2 LEU 60 2HD2 LEU 60 4.884 -1.094 1.171
497 H TYR 61 H TYR 61 5.483 1.904 -4.753
498 HA TYR 61 HA TYR 61 7.276 -0.197 -5.557
499 1HB TYR 61 2HB TYR 61 6.150 1.645 -6.892
500 2HB TYR 61 1HB TYR 61 7.336 2.751 -6.206
501 HD1 TYR 61 HD1 TYR 61 9.859 1.574 -6.248
502 HD2 TYR 61 HD2 TYR 61 6.659 0.938 -9.041
503 HE1 TYR 61 HE1 TYR 61 11.500 0.868 -7.966
504 HE2 TYR 61 HE2 TYR 61 8.301 0.231 -10.760
505 HH TYR 61 HH TYR 61 10.614 0.436 -11.280
506 H VAL 62 H VAL 62 8.905 -0.754 -4.151
507 HA VAL 62 HA VAL 62 10.879 1.301 -3.331
508 HB VAL 62 HB VAL 62 10.517 0.693 -0.930
509 1HG1 VAL 62 3HG1 VAL 62 9.371 2.666 -2.061
510 2HG1 VAL 62 2HG1 VAL 62 7.939 1.643 -2.195
511 3HG1 VAL 62 1HG1 VAL 62 8.579 2.057 -0.608
512 1HG2 VAL 62 1HG2 VAL 62 8.373 -0.982 -2.207
513 2HG2 VAL 62 3HG2 VAL 62 9.531 -1.426 -0.956
514 3HG2 VAL 62 2HG2 VAL 62 8.163 -0.387 -0.560
515 H TYR 63 H TYR 63 12.009 -0.308 -1.304
516 HA TYR 63 HA TYR 63 12.512 -2.956 -2.533
517 1HB TYR 63 2HB TYR 63 14.058 -1.269 -3.557
518 2HB TYR 63 1HB TYR 63 14.698 -0.940 -1.948
519 HD1 TYR 63 HD2 TYR 63 13.646 -4.371 -2.500
520 HD2 TYR 63 HD1 TYR 63 16.922 -1.630 -2.946
521 HE1 TYR 63 HE2 TYR 63 15.210 -6.276 -2.733
522 HE2 TYR 63 HE1 TYR 63 18.488 -3.538 -3.184
523 HH TYR 63 HH TYR 63 17.327 -6.902 -2.945
524 H ALA 64 H ALA 64 12.719 -4.451 -0.923
525 HA ALA 64 HA ALA 64 13.463 -3.483 1.812
526 1HB ALA 64 1HB ALA 64 11.384 -5.481 0.883
527 2HB ALA 64 3HB ALA 64 11.779 -5.176 2.573
528 3HB ALA 64 2HB ALA 64 11.074 -3.895 1.589
529 H SER 65 H SER 65 12.839 -6.677 2.099
530 HA SER 65 HA SER 65 15.700 -7.410 1.859
531 1HB SER 65 2HB SER 65 14.898 -9.414 3.112
532 2HB SER 65 1HB SER 65 14.429 -7.912 3.904
533 HG SER 65 HG SER 65 12.841 -9.541 2.201
534 H ASP 66 H ASP 66 12.554 -8.169 0.448
535 HA ASP 66 HA ASP 66 13.924 -9.597 -1.779
536 1HB ASP 66 2HB ASP 66 12.585 -10.842 0.379
537 2HB ASP 66 1HB ASP 66 11.490 -10.956 -0.999
538 H LYS 67 H LYS 67 12.139 -7.092 -1.023
539 HA LYS 67 HA LYS 67 10.022 -7.454 -3.119
540 1HB LYS 67 2HB LYS 67 9.129 -6.847 -1.016
541 2HB LYS 67 1HB LYS 67 10.424 -5.692 -0.708
542 1HG LYS 67 2HG LYS 67 9.217 -4.868 -3.126
543 2HG LYS 67 1HG LYS 67 7.895 -5.261 -2.030
544 1HD LYS 67 2HD LYS 67 10.213 -3.401 -1.434
545 2HD LYS 67 1HD LYS 67 8.537 -2.923 -1.716
546 1HE LYS 67 2HE LYS 67 7.805 -4.067 0.298
547 2HE LYS 67 1HE LYS 67 9.421 -4.756 0.543
548 1HZ LYS 67 3HZ LYS 67 10.244 -2.389 0.484
549 2HZ LYS 67 2HZ LYS 67 8.623 -1.903 0.635
550 3HZ LYS 67 1HZ LYS 67 9.355 -2.822 1.862
551 H LEU 68 H LEU 68 11.805 -7.109 -4.726
552 HA LEU 68 HA LEU 68 12.954 -4.382 -4.907
553 1HB LEU 68 2HB LEU 68 13.480 -7.054 -5.897
554 2HB LEU 68 1HB LEU 68 13.455 -5.902 -7.231
555 HG LEU 68 HG LEU 68 14.862 -4.790 -4.955
556 1HD1 LEU 68 2HD1 LEU 68 15.917 -7.399 -6.089
557 2HD1 LEU 68 1HD1 LEU 68 16.800 -6.322 -5.007
558 3HD1 LEU 68 3HD1 LEU 68 15.352 -7.151 -4.436
559 1HD2 LEU 68 1HD2 LEU 68 15.412 -5.402 -7.856
560 2HD2 LEU 68 3HD2 LEU 68 15.253 -3.831 -7.069
561 3HD2 LEU 68 2HD2 LEU 68 16.699 -4.805 -6.808
562 H PHE 69 H PHE 69 10.497 -3.669 -5.054
563 HA PHE 69 HA PHE 69 9.960 -2.743 -7.667
564 1HB PHE 69 2HB PHE 69 7.997 -4.437 -8.061
565 2HB PHE 69 1HB PHE 69 9.627 -4.915 -8.462
566 HD1 PHE 69 HD1 PHE 69 8.098 -4.661 -5.051
567 HD2 PHE 69 HD2 PHE 69 9.607 -7.242 -8.137
568 HE1 PHE 69 HE1 PHE 69 7.940 -6.591 -3.512
569 HE2 PHE 69 HE2 PHE 69 9.451 -9.174 -6.592
570 HZ PHE 69 HZ PHE 69 8.617 -8.849 -4.280
571 H ARG 70 H ARG 70 6.950 -3.881 -6.749
572 HA ARG 70 HA ARG 70 6.559 -1.668 -4.779
573 1HB ARG 70 2HB ARG 70 5.913 -0.819 -6.940
574 2HB ARG 70 1HB ARG 70 5.011 -2.290 -7.302
575 1HG ARG 70 2HG ARG 70 3.685 -1.629 -5.076
576 2HG ARG 70 1HG ARG 70 4.264 -0.013 -5.482
577 1HD ARG 70 2HD ARG 70 2.600 -1.851 -7.237
578 2HD ARG 70 1HD ARG 70 2.132 -0.271 -6.579
579 HE ARG 70 HE ARG 70 4.335 0.451 -7.931
580 1HH1 ARG 70 1HH2 ARG 70 4.907 -1.398 -9.812
581 2HH1 ARG 70 2HH2 ARG 70 3.710 -1.288 -11.059
582 1HH2 ARG 70 2HH1 ARG 70 1.443 0.454 -9.095
583 2HH2 ARG 70 1HH1 ARG 70 1.748 -0.239 -10.653
584 H ALA 71 H ALA 71 5.541 -2.406 -3.002
585 HA ALA 71 HA ALA 71 4.161 -5.010 -3.024
586 1HB ALA 71 1HB ALA 71 5.642 -3.669 -1.192
587 2HB ALA 71 3HB ALA 71 4.040 -3.102 -0.725
588 3HB ALA 71 2HB ALA 71 4.400 -4.828 -0.722
589 H ASP 72 H ASP 72 2.189 -4.811 -4.137
590 HA ASP 72 HA ASP 72 0.585 -2.348 -3.847
591 1HB ASP 72 2HB ASP 72 0.881 -3.474 -6.014
592 2HB ASP 72 1HB ASP 72 0.185 -4.954 -5.355
593 H ILE 73 H ILE 73 -1.643 -2.439 -3.107
594 HA ILE 73 HA ILE 73 -2.644 -4.831 -1.745
595 HB ILE 73 HB ILE 73 -0.901 -3.322 -0.315
596 1HG1 ILE 73 2HG1 ILE 73 -1.976 -5.475 0.330
597 2HG1 ILE 73 1HG1 ILE 73 -1.883 -4.336 1.674
598 1HG2 ILE 73 1HG2 ILE 73 -2.493 -1.339 -0.515
599 2HG2 ILE 73 3HG2 ILE 73 -3.603 -2.241 0.514
600 3HG2 ILE 73 2HG2 ILE 73 -2.019 -1.769 1.126
601 1HD1 ILE 73 1HD1 ILE 73 -4.317 -3.835 0.266
602 2HD1 ILE 73 3HD1 ILE 73 -4.212 -5.570 0.569
603 3HD1 ILE 73 2HD1 ILE 73 -4.116 -4.431 1.913
604 H SER 74 H SER 74 -4.768 -4.776 -2.368
605 HA SER 74 HA SER 74 -6.046 -2.079 -2.624
606 1HB SER 74 2HB SER 74 -6.023 -2.999 -4.758
607 2HB SER 74 1HB SER 74 -6.153 -4.651 -4.158
608 HG SER 74 HG SER 74 -8.248 -4.476 -4.209
609 H GLU 75 H GLU 75 -8.092 -1.786 -1.703
610 HA GLU 75 HA GLU 75 -9.263 -4.076 -0.149
611 1HB GLU 75 2HB GLU 75 -8.192 -1.488 0.695
612 2HB GLU 75 1HB GLU 75 -9.871 -1.690 1.198
613 1HG GLU 75 2HG GLU 75 -8.975 -4.124 1.861
614 2HG GLU 75 1HG GLU 75 -7.453 -3.243 1.998
615 H ASP 76 H ASP 76 -11.630 -3.797 0.168
616 HA ASP 76 HA ASP 76 -12.867 -1.986 -1.884
617 1HB ASP 76 2HB ASP 76 -13.199 -4.896 -1.254
618 2HB ASP 76 1HB ASP 76 -14.492 -4.010 -2.057
619 H TYR 77 H TYR 77 -15.540 -2.674 -1.352
620 HA TYR 77 HA TYR 77 -16.517 -2.737 1.266
621 1HB TYR 77 2HB TYR 77 -14.987 -0.714 1.555
622 2HB TYR 77 1HB TYR 77 -16.003 0.133 0.395
623 HD1 TYR 77 HD1 TYR 77 -18.631 -0.061 0.918
624 HD2 TYR 77 HD2 TYR 77 -15.482 -0.480 3.810
625 HE1 TYR 77 HE1 TYR 77 -20.227 0.481 2.736
626 HE2 TYR 77 HE2 TYR 77 -17.079 0.066 5.627
627 HH TYR 77 HH TYR 77 -19.163 1.071 6.000
628 H LYS 78 H LYS 78 -16.750 -0.558 -1.560
629 HA LYS 78 HA LYS 78 -19.702 -0.836 -1.634
630 1HB LYS 78 2HB LYS 78 -18.407 1.321 -2.094
631 2HB LYS 78 1HB LYS 78 -17.807 0.555 -3.564
632 1HG LYS 78 2HG LYS 78 -20.756 0.539 -3.066
633 2HG LYS 78 1HG LYS 78 -20.009 2.044 -3.600
634 1HD LYS 78 2HD LYS 78 -19.030 0.885 -5.539
635 2HD LYS 78 1HD LYS 78 -19.752 -0.632 -5.003
636 1HE LYS 78 2HE LYS 78 -22.005 0.729 -5.054
637 2HE LYS 78 1HE LYS 78 -21.106 1.796 -6.151
638 1HZ LYS 78 2HZ LYS 78 -20.443 -0.174 -7.424
639 2HZ LYS 78 1HZ LYS 78 -21.404 -1.149 -6.419
640 3HZ LYS 78 3HZ LYS 78 -22.129 0.022 -7.409
641 H THR 79 H THR 79 -16.832 -1.504 -3.621
642 HA THR 79 HA THR 79 -18.237 -3.119 -5.579
643 HB THR 79 HB THR 79 -15.910 -3.728 -6.209
644 HG1 THR 79 HG1 THR 79 -14.222 -3.016 -4.898
645 1HG2 THR 79 1HG2 THR 79 -16.813 -1.515 -6.881
646 2HG2 THR 79 3HG2 THR 79 -16.139 -0.814 -5.409
647 3HG2 THR 79 2HG2 THR 79 -15.065 -1.473 -6.643
648 H ARG 80 H ARG 80 -16.185 -3.747 -2.728
649 HA ARG 80 HA ARG 80 -17.704 -5.712 -1.539
650 1HB ARG 80 2HB ARG 80 -16.684 -7.840 -2.372
651 2HB ARG 80 1HB ARG 80 -17.585 -6.998 -3.615
652 1HG ARG 80 2HG ARG 80 -14.752 -6.192 -3.418
653 2HG ARG 80 1HG ARG 80 -14.987 -7.876 -3.872
654 1HD ARG 80 2HD ARG 80 -15.865 -5.390 -5.345
655 2HD ARG 80 1HD ARG 80 -14.989 -6.798 -5.961
656 HE ARG 80 HE ARG 80 -17.901 -6.678 -5.432
657 1HH1 ARG 80 2HH1 ARG 80 -16.853 -9.304 -4.487
658 2HH1 ARG 80 1HH1 ARG 80 -16.938 -10.276 -5.918
659 1HH2 ARG 80 1HH2 ARG 80 -17.251 -7.567 -8.060
660 2HH2 ARG 80 2HH2 ARG 80 -17.163 -9.292 -7.941
661 H GLY 81 H GLY 81 -16.653 -4.695 0.238
662 1HA GLY 81 2HA GLY 81 -14.107 -4.303 1.003
663 2HA GLY 81 1HA GLY 81 -15.225 -5.097 2.099
664 H ARG 82 H ARG 82 -12.341 -5.412 0.422
665 HA ARG 82 HA ARG 82 -11.988 -8.179 1.350
666 1HB ARG 82 2HB ARG 82 -12.720 -7.418 -1.367
667 2HB ARG 82 1HB ARG 82 -11.171 -8.261 -1.337
668 1HG ARG 82 2HG ARG 82 -12.283 -10.022 0.117
669 2HG ARG 82 1HG ARG 82 -13.820 -9.238 -0.249
670 1HD ARG 82 2HD ARG 82 -13.705 -9.796 -2.538
671 2HD ARG 82 1HD ARG 82 -11.953 -10.073 -2.473
672 HE ARG 82 HE ARG 82 -13.893 -12.074 -1.930
673 1HH1 ARG 82 2HH1 ARG 82 -13.368 -11.849 0.874
674 2HH1 ARG 82 1HH1 ARG 82 -11.901 -12.737 1.120
675 1HH2 ARG 82 1HH2 ARG 82 -11.009 -12.706 -2.231
676 2HH2 ARG 82 2HH2 ARG 82 -10.565 -13.222 -0.639
677 H LYS 83 H LYS 83 -9.626 -8.848 0.601
678 HA LYS 83 HA LYS 83 -7.893 -6.400 0.557
679 1HB LYS 83 2HB LYS 83 -7.673 -8.929 2.229
680 2HB LYS 83 1HB LYS 83 -6.425 -7.684 2.156
681 1HG LYS 83 2HG LYS 83 -8.082 -6.007 2.945
682 2HG LYS 83 1HG LYS 83 -9.285 -7.291 3.086
683 1HD LYS 83 2HD LYS 83 -8.461 -7.932 5.081
684 2HD LYS 83 1HD LYS 83 -6.829 -8.052 4.421
685 1HE LYS 83 2HE LYS 83 -6.230 -6.112 5.424
686 2HE LYS 83 1HE LYS 83 -7.611 -5.265 4.699
687 1HZ LYS 83 2HZ LYS 83 -8.053 -7.180 6.891
688 2HZ LYS 83 1HZ LYS 83 -7.542 -5.601 7.255
689 3HZ LYS 83 3HZ LYS 83 -8.999 -5.848 6.424
690 H LEU 84 H LEU 84 -5.864 -6.707 -0.533
691 HA LEU 84 HA LEU 84 -5.044 -9.253 -1.658
692 1HB LEU 84 2HB LEU 84 -7.138 -8.608 -2.952
693 2HB LEU 84 1HB LEU 84 -6.245 -7.212 -3.556
694 HG LEU 84 HG LEU 84 -4.458 -9.205 -4.060
695 1HD1 LEU 84 3HD1 LEU 84 -6.301 -10.817 -3.252
696 2HD1 LEU 84 2HD1 LEU 84 -7.140 -10.413 -4.750
697 3HD1 LEU 84 1HD1 LEU 84 -5.550 -11.175 -4.808
698 1HD2 LEU 84 1HD2 LEU 84 -6.207 -7.492 -5.514
699 2HD2 LEU 84 3HD2 LEU 84 -4.739 -8.277 -6.095
700 3HD2 LEU 84 2HD2 LEU 84 -6.296 -9.085 -6.266
701 H LEU 85 H LEU 85 -2.834 -9.002 -1.933
702 HA LEU 85 HA LEU 85 -1.860 -6.255 -2.597
703 1HB LEU 85 2HB LEU 85 -0.602 -6.229 -0.690
704 2HB LEU 85 1HB LEU 85 -1.732 -7.461 -0.149
705 HG LEU 85 HG LEU 85 0.892 -8.036 -1.555
706 1HD1 LEU 85 3HD1 LEU 85 0.334 -7.298 1.156
707 2HD1 LEU 85 2HD1 LEU 85 0.792 -9.000 1.129
708 3HD1 LEU 85 1HD1 LEU 85 1.876 -7.784 0.453
709 1HD2 LEU 85 3HD2 LEU 85 -1.113 -9.677 -1.700
710 2HD2 LEU 85 2HD2 LEU 85 0.428 -10.326 -1.141
711 3HD2 LEU 85 1HD2 LEU 85 -0.843 -9.946 0.021
712 H ARG 86 H ARG 86 0.538 -6.361 -3.324
713 HA ARG 86 HA ARG 86 1.196 -8.898 -4.742
714 1HB ARG 86 2HB ARG 86 1.231 -6.256 -6.196
715 2HB ARG 86 1HB ARG 86 1.158 -7.884 -6.869
716 1HG ARG 86 2HG ARG 86 -1.130 -8.101 -5.759
717 2HG ARG 86 1HG ARG 86 -1.045 -6.364 -5.462
718 1HD ARG 86 2HD ARG 86 -1.695 -5.946 -7.589
719 2HD ARG 86 1HD ARG 86 -0.338 -6.904 -8.213
720 HE ARG 86 HE ARG 86 -2.195 -8.769 -7.238
721 1HH1 ARG 86 2HH1 ARG 86 -1.190 -7.978 -10.152
722 2HH1 ARG 86 1HH1 ARG 86 -2.720 -7.954 -10.962
723 1HH2 ARG 86 1HH2 ARG 86 -4.570 -7.997 -8.030
724 2HH2 ARG 86 2HH2 ARG 86 -4.634 -7.966 -9.760
725 H PHE 87 H PHE 87 3.376 -8.384 -6.039
726 HA PHE 87 HA PHE 87 5.185 -6.507 -4.614
727 1HB PHE 87 2HB PHE 87 5.863 -9.449 -4.759
728 2HB PHE 87 1HB PHE 87 6.559 -8.213 -3.711
729 HD1 PHE 87 HD1 PHE 87 5.362 -7.421 -1.714
730 HD2 PHE 87 HD2 PHE 87 3.713 -10.473 -4.251
731 HE1 PHE 87 HE1 PHE 87 3.686 -7.973 0.030
732 HE2 PHE 87 HE2 PHE 87 2.042 -11.023 -2.503
733 HZ PHE 87 HZ PHE 87 2.031 -9.767 -0.375
734 H ASN 88 H ASN 88 4.784 -5.900 -7.119
735 HA ASN 88 HA ASN 88 7.151 -6.970 -8.542
736 1HB ASN 88 2HB ASN 88 4.627 -6.943 -10.103
737 2HB ASN 88 1HB ASN 88 6.042 -7.977 -10.265
738 1HD2 ASN 88 2HD2 ASN 88 4.896 -10.365 -7.840
739 2HD2 ASN 88 1HD2 ASN 88 6.286 -9.740 -8.588
740 H GLY 89 H GLY 89 6.448 -5.983 -11.086
741 1HA GLY 89 2HA GLY 89 6.462 -3.974 -12.320
742 2HA GLY 89 1HA GLY 89 5.674 -3.188 -10.937
743 HA PRO 90 HA PRO 90 10.117 -3.419 -9.404
744 1HB PRO 90 2HB PRO 90 11.981 -4.830 -10.837
745 2HB PRO 90 1HB PRO 90 10.958 -5.555 -9.581
746 1HG PRO 90 2HG PRO 90 10.630 -5.598 -12.542
747 2HG PRO 90 1HG PRO 90 10.373 -6.892 -11.361
748 1HD PRO 90 2HD PRO 90 8.336 -5.471 -12.437
749 2HD PRO 90 1HD PRO 90 8.282 -6.141 -10.791
750 H VAL 91 HN VAL 91 12.519 -2.783 -10.339
751 HA VAL 91 HA VAL 91 12.086 -0.461 -12.050
752 HB VAL 91 HB VAL 91 14.510 -0.173 -11.498
753 1HG1 VAL 91 3HG1 VAL 91 12.530 -0.811 -9.316
754 2HG1 VAL 91 2HG1 VAL 91 14.138 -0.189 -8.950
755 3HG1 VAL 91 1HG1 VAL 91 13.019 0.775 -9.913
756 1HG2 VAL 91 2HG2 VAL 91 14.538 -2.899 -11.304
757 2HG2 VAL 91 1HG2 VAL 91 15.779 -1.851 -10.619
758 3HG2 VAL 91 3HG2 VAL 91 14.461 -2.435 -9.604
No H/Q in entry = 758
Start of MODEL 19
1 1H GLY 1 1H GLY 1 -12.167 8.528 -8.154
2 2H GLY 1 3H GLY 1 -11.331 7.057 -8.256
3 3H GLY 1 2H GLY 1 -12.995 7.064 -7.912
4 1HA GLY 1 2HA GLY 1 -12.703 7.849 -5.765
5 2HA GLY 1 1HA GLY 1 -11.390 6.691 -5.980
6 H GLU 2 H GLU 2 -9.359 7.425 -5.574
7 HA GLU 2 HA GLU 2 -8.429 10.070 -6.260
8 1HB GLU 2 2HB GLU 2 -8.325 10.950 -3.928
9 2HB GLU 2 1HB GLU 2 -9.984 10.673 -4.459
10 1HG GLU 2 2HG GLU 2 -10.324 9.185 -2.805
11 2HG GLU 2 1HG GLU 2 -8.900 8.262 -3.287
12 H TRP 3 H TRP 3 -6.233 10.488 -5.132
13 HA TRP 3 HA TRP 3 -4.870 7.864 -4.623
14 1HB TRP 3 2HB TRP 3 -2.890 9.086 -5.639
15 2HB TRP 3 1HB TRP 3 -4.233 8.809 -6.748
16 HD1 TRP 3 HD1 TRP 3 -5.571 10.877 -7.614
17 HE1 TRP 3 HE1 TRP 3 -5.196 13.423 -7.447
18 HE3 TRP 3 HE3 TRP 3 -1.929 11.001 -4.036
19 HZ2 TRP 3 HZ2 TRP 3 -3.567 15.267 -5.988
20 HZ3 TRP 3 HZ3 TRP 3 -0.985 13.163 -3.277
21 HH2 TRP 3 HH2 TRP 3 -1.799 15.295 -4.248
22 H GLU 4 H GLU 4 -2.549 8.521 -3.572
23 HA GLU 4 HA GLU 4 -2.366 10.744 -1.798
24 1HB GLU 4 2HB GLU 4 -4.303 9.947 -0.689
25 2HB GLU 4 1HB GLU 4 -3.782 8.267 -0.815
26 1HG GLU 4 2HG GLU 4 -2.625 8.397 1.116
27 2HG GLU 4 1HG GLU 4 -1.823 9.883 0.606
28 H ILE 5 H ILE 5 -0.146 10.733 -1.803
29 HA ILE 5 HA ILE 5 1.386 8.236 -1.778
30 HB ILE 5 HB ILE 5 3.202 9.754 -2.193
31 1HG1 ILE 5 2HG1 ILE 5 2.078 12.324 -2.060
32 2HG1 ILE 5 1HG1 ILE 5 1.582 11.519 -0.570
33 1HG2 ILE 5 3HG2 ILE 5 0.824 9.765 -3.696
34 2HG2 ILE 5 2HG2 ILE 5 1.353 11.446 -3.625
35 3HG2 ILE 5 1HG2 ILE 5 2.436 10.205 -4.260
36 1HD1 ILE 5 1HD1 ILE 5 4.157 10.738 -0.635
37 2HD1 ILE 5 3HD1 ILE 5 4.309 12.264 -1.505
38 3HD1 ILE 5 2HD1 ILE 5 3.647 12.243 0.130
39 H ILE 6 H ILE 6 3.456 8.458 -0.220
40 HA ILE 6 HA ILE 6 2.554 9.328 2.502
41 HB ILE 6 HB ILE 6 3.819 7.108 3.163
42 1HG1 ILE 6 2HG1 ILE 6 4.403 6.854 0.613
43 2HG1 ILE 6 1HG1 ILE 6 3.970 5.429 1.547
44 1HG2 ILE 6 2HG2 ILE 6 1.071 7.741 2.463
45 2HG2 ILE 6 1HG2 ILE 6 1.413 6.023 2.268
46 3HG2 ILE 6 3HG2 ILE 6 1.695 6.806 3.822
47 1HD1 ILE 6 3HD1 ILE 6 1.532 5.921 0.740
48 2HD1 ILE 6 2HD1 ILE 6 2.310 6.929 -0.476
49 3HD1 ILE 6 1HD1 ILE 6 2.668 5.208 -0.399
50 H ASP 7 H ASP 7 4.895 8.435 3.861
51 HA ASP 7 HA ASP 7 7.060 9.976 2.472
52 1HB ASP 7 2HB ASP 7 5.610 10.469 4.904
53 2HB ASP 7 1HB ASP 7 7.296 10.138 5.302
54 H ILE 8 H ILE 8 8.905 9.506 4.556
55 HA ILE 8 HA ILE 8 9.472 6.619 4.114
56 HB ILE 8 HB ILE 8 11.113 8.386 3.438
57 1HG1 ILE 8 2HG1 ILE 8 12.701 7.267 5.566
58 2HG1 ILE 8 1HG1 ILE 8 11.578 6.044 4.972
59 1HG2 ILE 8 2HG2 ILE 8 11.032 8.965 6.410
60 2HG2 ILE 8 1HG2 ILE 8 12.327 9.526 5.352
61 3HG2 ILE 8 3HG2 ILE 8 10.673 10.079 5.090
62 1HD1 ILE 8 3HD1 ILE 8 13.023 7.707 2.954
63 2HD1 ILE 8 2HD1 ILE 8 13.932 6.446 3.787
64 3HD1 ILE 8 1HD1 ILE 8 12.497 6.027 2.852
65 H GLY 9 H GLY 9 7.481 7.522 6.042
66 1HA GLY 9 2HA GLY 9 8.847 6.673 8.569
67 2HA GLY 9 1HA GLY 9 7.650 7.961 8.563
68 HA PRO 10 HA PRO 10 4.493 4.984 8.957
69 1HB PRO 10 2HB PRO 10 2.544 5.679 7.171
70 2HB PRO 10 1HB PRO 10 2.935 6.638 8.609
71 1HG PRO 10 2HG PRO 10 3.527 7.171 5.785
72 2HG PRO 10 1HG PRO 10 3.389 8.293 7.144
73 1HD PRO 10 2HD PRO 10 5.760 7.319 5.944
74 2HD PRO 10 1HD PRO 10 5.631 8.331 7.398
75 H PHE 11 H PHE 11 3.930 5.296 5.448
76 HA PHE 11 HA PHE 11 3.408 2.644 4.872
77 1HB PHE 11 2HB PHE 11 4.555 4.970 3.438
78 2HB PHE 11 1HB PHE 11 4.804 3.403 2.664
79 HD1 PHE 11 HD1 PHE 11 1.969 4.477 4.831
80 HD2 PHE 11 HD2 PHE 11 3.249 3.428 0.867
81 HE1 PHE 11 HE1 PHE 11 -0.392 4.470 4.071
82 HE2 PHE 11 HE2 PHE 11 0.890 3.423 0.107
83 HZ PHE 11 HZ PHE 11 -0.931 3.943 1.708
84 H THR 12 H THR 12 6.565 4.072 5.551
85 HA THR 12 HA THR 12 8.231 1.940 4.639
86 HB THR 12 HB THR 12 9.841 3.041 6.048
87 HG1 THR 12 HG1 THR 12 8.630 4.750 7.487
88 1HG2 THR 12 1HG2 THR 12 8.485 4.373 4.169
89 2HG2 THR 12 3HG2 THR 12 8.068 5.371 5.562
90 3HG2 THR 12 2HG2 THR 12 9.760 5.131 5.124
91 H GLN 13 H GLN 13 7.102 2.739 7.918
92 HA GLN 13 HA GLN 13 7.828 0.230 9.110
93 1HB GLN 13 2HB GLN 13 6.774 2.701 9.870
94 2HB GLN 13 1HB GLN 13 5.490 1.556 10.261
95 1HG GLN 13 2HG GLN 13 6.734 0.499 11.872
96 2HG GLN 13 1HG GLN 13 8.252 0.752 11.012
97 1HE2 GLN 13 2HE2 GLN 13 8.895 3.185 13.526
98 2HE2 GLN 13 1HE2 GLN 13 9.290 1.638 12.951
99 H ASN 14 H ASN 14 5.311 1.109 6.987
100 HA ASN 14 HA ASN 14 3.430 -0.994 7.772
101 1HB ASN 14 2HB ASN 14 3.383 1.415 6.360
102 2HB ASN 14 1HB ASN 14 3.105 0.182 5.130
103 1HD2 ASN 14 2HD2 ASN 14 -0.206 -0.382 6.166
104 2HD2 ASN 14 1HD2 ASN 14 0.979 -0.556 4.962
105 H LEU 15 H LEU 15 5.246 -0.322 4.808
106 HA LEU 15 HA LEU 15 4.881 -2.653 3.379
107 1HB LEU 15 2HB LEU 15 6.850 -2.037 2.240
108 2HB LEU 15 1HB LEU 15 6.350 -0.523 2.988
109 HG LEU 15 HG LEU 15 7.857 -1.392 4.987
110 1HD1 LEU 15 1HD1 LEU 15 8.208 -3.518 3.377
111 2HD1 LEU 15 3HD1 LEU 15 9.521 -2.503 2.783
112 3HD1 LEU 15 2HD1 LEU 15 9.461 -2.960 4.486
113 1HD2 LEU 15 3HD2 LEU 15 8.118 0.518 3.071
114 2HD2 LEU 15 2HD2 LEU 15 9.333 0.221 4.314
115 3HD2 LEU 15 1HD2 LEU 15 9.522 -0.485 2.708
116 H GLY 16 H GLY 16 6.844 -2.228 6.282
117 1HA GLY 16 2HA GLY 16 8.125 -4.830 6.116
118 2HA GLY 16 1HA GLY 16 8.073 -3.795 7.545
119 H LYS 17 H LYS 17 5.534 -3.563 8.255
120 HA LYS 17 HA LYS 17 4.807 -6.161 9.269
121 1HB LYS 17 2HB LYS 17 3.981 -3.361 9.445
122 2HB LYS 17 1HB LYS 17 2.626 -4.484 9.575
123 1HG LYS 17 2HG LYS 17 3.281 -4.461 11.785
124 2HG LYS 17 1HG LYS 17 4.333 -5.751 11.201
125 1HD LYS 17 2HD LYS 17 5.849 -3.567 10.610
126 2HD LYS 17 1HD LYS 17 5.018 -3.003 12.060
127 1HE LYS 17 2HE LYS 17 6.332 -5.728 11.976
128 2HE LYS 17 1HE LYS 17 7.238 -4.270 12.429
129 1HZ LYS 17 2HZ LYS 17 5.502 -3.759 14.053
130 2HZ LYS 17 1HZ LYS 17 4.701 -5.206 13.664
131 3HZ LYS 17 3HZ LYS 17 6.235 -5.256 14.385
132 H PHE 18 H PHE 18 2.835 -4.002 7.300
133 HA PHE 18 HA PHE 18 0.826 -5.645 6.440
134 1HB PHE 18 2HB PHE 18 0.528 -3.633 5.436
135 2HB PHE 18 1HB PHE 18 2.255 -3.296 5.480
136 HD1 PHE 18 HD2 PHE 18 3.732 -4.084 3.636
137 HD2 PHE 18 HD1 PHE 18 -0.536 -4.505 3.456
138 HE1 PHE 18 HE2 PHE 18 3.876 -4.480 1.193
139 HE2 PHE 18 HE1 PHE 18 -0.392 -4.904 1.013
140 HZ PHE 18 HZ PHE 18 1.813 -4.890 -0.119
141 H ALA 19 H ALA 19 3.994 -5.469 4.871
142 HA ALA 19 HA ALA 19 3.604 -7.394 2.854
143 1HB ALA 19 1HB ALA 19 6.023 -6.713 4.553
144 2HB ALA 19 3HB ALA 19 6.100 -7.678 3.078
145 3HB ALA 19 2HB ALA 19 5.581 -5.995 3.003
146 H VAL 20 H VAL 20 5.587 -8.210 5.690
147 HA VAL 20 HA VAL 20 5.489 -10.940 5.659
148 HB VAL 20 HB VAL 20 5.425 -8.870 7.819
149 1HG1 VAL 20 1HG1 VAL 20 4.933 -11.798 8.185
150 2HG1 VAL 20 3HG1 VAL 20 6.003 -10.992 9.333
151 3HG1 VAL 20 2HG1 VAL 20 4.340 -10.437 9.137
152 1HG2 VAL 20 3HG2 VAL 20 7.350 -10.536 6.388
153 2HG2 VAL 20 2HG2 VAL 20 7.615 -9.046 7.294
154 3HG2 VAL 20 1HG2 VAL 20 7.583 -10.596 8.135
155 H ASP 21 H ASP 21 2.734 -8.859 6.416
156 HA ASP 21 HA ASP 21 1.120 -11.168 7.338
157 1HB ASP 21 2HB ASP 21 0.905 -8.189 7.206
158 2HB ASP 21 1HB ASP 21 -0.602 -9.106 7.223
159 H GLU 22 H GLU 22 0.276 -8.604 4.963
160 HA GLU 22 HA GLU 22 -1.466 -10.328 3.517
161 1HB GLU 22 2HB GLU 22 0.058 -7.999 2.346
162 2HB GLU 22 1HB GLU 22 -1.572 -8.536 1.939
163 1HG GLU 22 2HG GLU 22 -1.505 -8.027 4.744
164 2HG GLU 22 1HG GLU 22 -0.775 -6.641 3.933
165 H GLU 23 H GLU 23 1.994 -9.787 3.248
166 HA GLU 23 HA GLU 23 2.405 -11.175 0.762
167 1HB GLU 23 2HB GLU 23 3.958 -9.667 2.278
168 2HB GLU 23 1HB GLU 23 4.360 -11.196 3.055
169 1HG GLU 23 2HG GLU 23 4.602 -11.902 0.440
170 2HG GLU 23 1HG GLU 23 5.070 -10.204 0.358
171 H ASN 24 H ASN 24 2.845 -12.300 4.145
172 HA ASN 24 HA ASN 24 3.098 -15.077 3.422
173 1HB ASN 24 2HB ASN 24 2.098 -13.694 5.942
174 2HB ASN 24 1HB ASN 24 2.522 -15.402 5.849
175 1HD2 ASN 24 2HD2 ASN 24 5.803 -14.508 6.772
176 2HD2 ASN 24 1HD2 ASN 24 4.433 -15.447 7.106
177 H LYS 25 H LYS 25 0.332 -13.089 4.507
178 HA LYS 25 HA LYS 25 -1.682 -15.070 4.391
179 1HB LYS 25 2HB LYS 25 -1.668 -12.598 5.181
180 2HB LYS 25 1HB LYS 25 -2.064 -12.219 3.505
181 1HG LYS 25 2HG LYS 25 -4.209 -12.841 3.801
182 2HG LYS 25 1HG LYS 25 -3.717 -14.391 4.483
183 1HD LYS 25 2HD LYS 25 -3.275 -12.088 6.270
184 2HD LYS 25 1HD LYS 25 -4.971 -12.405 5.901
185 1HE LYS 25 2HE LYS 25 -4.778 -14.701 6.671
186 2HE LYS 25 1HE LYS 25 -3.024 -14.522 6.882
187 1HZ LYS 25 1HZ LYS 25 -5.030 -12.796 8.226
188 2HZ LYS 25 3HZ LYS 25 -4.334 -14.159 8.955
189 3HZ LYS 25 2HZ LYS 25 -3.357 -12.841 8.512
190 H ILE 26 H ILE 26 -0.414 -13.012 1.808
191 HA ILE 26 HA ILE 26 -2.251 -13.998 -0.207
192 HB ILE 26 HB ILE 26 -0.812 -11.801 -0.074
193 1HG1 ILE 26 2HG1 ILE 26 -0.983 -11.532 -2.470
194 2HG1 ILE 26 1HG1 ILE 26 -1.009 -13.280 -2.706
195 1HG2 ILE 26 1HG2 ILE 26 1.250 -13.683 -0.387
196 2HG2 ILE 26 3HG2 ILE 26 1.093 -12.901 -1.956
197 3HG2 ILE 26 2HG2 ILE 26 1.387 -11.935 -0.517
198 1HD1 ILE 26 1HD1 ILE 26 -3.073 -12.027 -0.926
199 2HD1 ILE 26 3HD1 ILE 26 -3.271 -11.914 -2.675
200 3HD1 ILE 26 2HD1 ILE 26 -3.182 -13.494 -1.897
201 H GLY 27 H GLY 27 0.476 -15.369 1.271
202 1HA GLY 27 2HA GLY 27 1.109 -17.675 0.820
203 2HA GLY 27 1HA GLY 27 0.558 -17.466 -0.844
204 H GLN 28 H GLN 28 2.782 -15.596 1.225
205 HA GLN 28 HA GLN 28 5.138 -16.316 -0.308
206 1HB GLN 28 2HB GLN 28 4.041 -14.941 -1.981
207 2HB GLN 28 1HB GLN 28 3.712 -13.680 -0.793
208 1HG GLN 28 2HG GLN 28 5.618 -12.863 -1.896
209 2HG GLN 28 1HG GLN 28 6.299 -13.642 -0.467
210 1HE2 GLN 28 2HE2 GLN 28 7.868 -16.256 -2.304
211 2HE2 GLN 28 1HE2 GLN 28 7.377 -15.738 -0.764
212 H TYR 29 H TYR 29 5.924 -16.573 1.873
213 HA TYR 29 HA TYR 29 5.815 -14.493 3.852
214 1HB TYR 29 2HB TYR 29 6.106 -16.789 4.472
215 2HB TYR 29 1HB TYR 29 7.499 -16.958 3.409
216 HD1 TYR 29 HD1 TYR 29 7.150 -13.861 5.305
217 HD2 TYR 29 HD2 TYR 29 8.815 -17.819 5.350
218 HE1 TYR 29 HE1 TYR 29 8.643 -13.212 7.175
219 HE2 TYR 29 HE2 TYR 29 10.306 -17.172 7.221
220 HH TYR 29 HH TYR 29 11.308 -14.901 8.072
221 H GLY 30 H GLY 30 8.108 -15.330 1.349
222 1HA GLY 30 2HA GLY 30 10.166 -14.324 0.734
223 2HA GLY 30 1HA GLY 30 9.208 -12.849 0.874
224 H ARG 31 H ARG 31 9.768 -14.877 3.654
225 HA ARG 31 HA ARG 31 11.017 -14.518 5.619
226 1HB ARG 31 2HB ARG 31 12.653 -12.626 3.914
227 2HB ARG 31 1HB ARG 31 13.194 -13.587 5.289
228 1HG ARG 31 2HG ARG 31 12.337 -15.597 3.763
229 2HG ARG 31 1HG ARG 31 12.663 -14.438 2.474
230 1HD ARG 31 2HD ARG 31 14.907 -14.195 4.088
231 2HD ARG 31 1HD ARG 31 14.562 -15.936 4.132
232 HE ARG 31 HE ARG 31 14.230 -15.040 1.450
233 1HH1 ARG 31 2HH1 ARG 31 16.803 -14.448 3.552
234 2HH1 ARG 31 1HH1 ARG 31 18.009 -15.190 2.553
235 1HH2 ARG 31 1HH2 ARG 31 15.724 -16.450 0.271
236 2HH2 ARG 31 2HH2 ARG 31 17.397 -16.323 0.696
237 H LEU 32 H LEU 32 12.390 -11.860 6.038
238 HA LEU 32 HA LEU 32 10.030 -10.441 7.073
239 1HB LEU 32 2HB LEU 32 11.927 -8.919 7.978
240 2HB LEU 32 1HB LEU 32 11.782 -10.544 8.624
241 HG LEU 32 HG LEU 32 14.123 -9.615 7.928
242 1HD1 LEU 32 2HD1 LEU 32 12.955 -12.241 7.953
243 2HD1 LEU 32 1HD1 LEU 32 14.270 -12.171 6.780
244 3HD1 LEU 32 3HD1 LEU 32 14.564 -11.731 8.463
245 1HD2 LEU 32 3HD2 LEU 32 12.927 -10.335 5.251
246 2HD2 LEU 32 2HD2 LEU 32 13.820 -8.893 5.705
247 3HD2 LEU 32 1HD2 LEU 32 14.657 -10.434 5.544
248 H THR 33 H THR 33 9.276 -9.946 4.808
249 HA THR 33 HA THR 33 10.443 -8.442 2.831
250 HB THR 33 HB THR 33 7.973 -7.296 3.074
251 HG1 THR 33 HG1 THR 33 6.808 -9.279 3.936
252 1HG2 THR 33 2HG2 THR 33 8.938 -8.839 1.278
253 2HG2 THR 33 1HG2 THR 33 8.329 -10.177 2.251
254 3HG2 THR 33 3HG2 THR 33 7.208 -8.991 1.584
255 H PHE 34 H PHE 34 12.071 -7.032 3.783
256 HA PHE 34 HA PHE 34 11.508 -4.310 4.019
257 1HB PHE 34 2HB PHE 34 10.107 -4.636 5.900
258 2HB PHE 34 1HB PHE 34 11.158 -5.879 6.577
259 HD1 PHE 34 HD1 PHE 34 12.136 -2.553 5.205
260 HD2 PHE 34 HD2 PHE 34 11.700 -4.994 8.712
261 HE1 PHE 34 HE1 PHE 34 13.299 -0.825 6.552
262 HE2 PHE 34 HE2 PHE 34 12.864 -3.267 10.059
263 HZ PHE 34 HZ PHE 34 13.663 -1.182 8.979
264 H ASN 35 H ASN 35 13.584 -3.673 3.469
265 HA ASN 35 HA ASN 35 15.809 -4.248 5.280
266 1HB ASN 35 2HB ASN 35 15.165 -6.105 3.291
267 2HB ASN 35 1HB ASN 35 16.533 -5.210 2.629
268 1HD2 ASN 35 2HD2 ASN 35 18.805 -6.312 5.193
269 2HD2 ASN 35 1HD2 ASN 35 18.494 -5.028 4.127
270 H LYS 36 H LYS 36 15.374 -3.452 1.783
271 HA LYS 36 HA LYS 36 17.537 -1.544 1.798
272 1HB LYS 36 2HB LYS 36 16.713 -2.784 -0.177
273 2HB LYS 36 1HB LYS 36 15.198 -1.890 -0.097
274 1HG LYS 36 2HG LYS 36 16.716 -0.879 -1.753
275 2HG LYS 36 1HG LYS 36 16.424 0.229 -0.411
276 1HD LYS 36 2HD LYS 36 18.821 0.165 -0.983
277 2HD LYS 36 1HD LYS 36 18.547 -0.480 0.635
278 1HE LYS 36 2HE LYS 36 20.108 -1.907 -0.720
279 2HE LYS 36 1HE LYS 36 18.638 -2.782 -0.244
280 1HZ LYS 36 1HZ LYS 36 18.729 -1.232 -2.754
281 2HZ LYS 36 3HZ LYS 36 19.320 -2.821 -2.707
282 3HZ LYS 36 2HZ LYS 36 17.694 -2.509 -2.328
283 H VAL 37 H VAL 37 14.717 -0.141 0.382
284 HA VAL 37 HA VAL 37 14.088 1.531 2.735
285 HB VAL 37 HB VAL 37 15.717 2.383 0.350
286 1HG1 VAL 37 3HG1 VAL 37 14.151 4.195 2.213
287 2HG1 VAL 37 2HG1 VAL 37 15.342 4.736 1.032
288 3HG1 VAL 37 1HG1 VAL 37 13.847 3.974 0.490
289 1HG2 VAL 37 1HG2 VAL 37 15.966 2.383 3.336
290 2HG2 VAL 37 3HG2 VAL 37 17.147 1.906 2.117
291 3HG2 VAL 37 2HG2 VAL 37 16.827 3.615 2.415
292 H ILE 38 H ILE 38 12.511 3.322 2.056
293 HA ILE 38 HA ILE 38 10.746 2.410 -0.196
294 HB ILE 38 HB ILE 38 9.542 1.812 1.695
295 1HG1 ILE 38 2HG1 ILE 38 8.449 3.776 0.329
296 2HG1 ILE 38 1HG1 ILE 38 7.714 3.245 1.838
297 1HG2 ILE 38 2HG2 ILE 38 11.274 2.639 3.286
298 2HG2 ILE 38 1HG2 ILE 38 10.571 4.252 3.166
299 3HG2 ILE 38 3HG2 ILE 38 9.629 2.928 3.849
300 1HD1 ILE 38 1HD1 ILE 38 9.674 5.243 2.459
301 2HD1 ILE 38 3HD1 ILE 38 8.652 5.849 1.160
302 3HD1 ILE 38 2HD1 ILE 38 7.930 5.314 2.673
303 H ARG 39 H ARG 39 10.751 3.951 -1.752
304 HA ARG 39 HA ARG 39 10.860 6.818 -0.893
305 1HB ARG 39 2HB ARG 39 11.833 6.307 -3.602
306 2HB ARG 39 1HB ARG 39 12.611 7.170 -2.284
307 1HG ARG 39 2HG ARG 39 13.089 4.821 -1.292
308 2HG ARG 39 1HG ARG 39 12.718 4.222 -2.909
309 1HD ARG 39 2HD ARG 39 14.923 6.140 -2.105
310 2HD ARG 39 1HD ARG 39 15.079 4.578 -2.933
311 HE ARG 39 HE ARG 39 14.516 7.068 -4.241
312 1HH1 ARG 39 2HH1 ARG 39 14.366 3.678 -4.443
313 2HH1 ARG 39 1HH1 ARG 39 13.495 3.650 -5.940
314 1HH2 ARG 39 1HH2 ARG 39 13.038 7.085 -6.045
315 2HH2 ARG 39 2HH2 ARG 39 12.744 5.579 -6.847
316 HA PRO 40 HA PRO 40 7.951 6.701 -4.546
317 1HB PRO 40 2HB PRO 40 7.800 4.516 -6.187
318 2HB PRO 40 1HB PRO 40 8.991 5.812 -6.396
319 1HG PRO 40 2HG PRO 40 9.381 3.073 -5.475
320 2HG PRO 40 1HG PRO 40 10.562 4.240 -6.070
321 1HD PRO 40 2HD PRO 40 10.006 3.510 -3.348
322 2HD PRO 40 1HD PRO 40 11.233 4.632 -3.960
323 H CYS 41 H CYS 41 7.324 5.737 -2.033
324 HA CYS 41 HA CYS 41 5.408 3.501 -2.307
325 1HB CYS 41 2HB CYS 41 6.932 4.846 -0.254
326 2HB CYS 41 1HB CYS 41 5.230 4.789 0.211
327 HG CYS 41 HG CYS 41 5.387 2.132 -0.336
328 H MET 42 H MET 42 3.373 3.972 -3.061
329 HA MET 42 HA MET 42 2.169 6.615 -2.302
330 1HB MET 42 2HB MET 42 2.763 5.392 -4.865
331 2HB MET 42 1HB MET 42 1.036 5.721 -4.719
332 1HG MET 42 2HG MET 42 2.240 7.999 -3.657
333 2HG MET 42 1HG MET 42 3.248 7.594 -5.045
334 1HE MET 42 1HE MET 42 3.052 9.261 -6.225
335 2HE MET 42 3HE MET 42 1.853 9.457 -7.510
336 3HE MET 42 2HE MET 42 1.715 10.391 -6.023
337 H LYS 43 H LYS 43 -0.346 6.426 -2.832
338 HA LYS 43 HA LYS 43 -1.496 3.759 -2.321
339 1HB LYS 43 2HB LYS 43 -0.812 4.444 -0.093
340 2HB LYS 43 1HB LYS 43 -1.539 6.035 -0.314
341 1HG LYS 43 2HG LYS 43 -3.577 4.162 -0.878
342 2HG LYS 43 1HG LYS 43 -2.784 3.595 0.592
343 1HD LYS 43 2HD LYS 43 -2.935 6.235 1.155
344 2HD LYS 43 1HD LYS 43 -4.360 6.069 0.127
345 1HE LYS 43 2HE LYS 43 -5.419 4.595 1.600
346 2HE LYS 43 1HE LYS 43 -3.888 4.060 2.319
347 1HZ LYS 43 3HZ LYS 43 -4.919 6.836 2.523
348 2HZ LYS 43 2HZ LYS 43 -5.164 5.658 3.723
349 3HZ LYS 43 1HZ LYS 43 -3.590 6.172 3.343
350 H LYS 44 H LYS 44 -3.546 3.700 -3.246
351 HA LYS 44 HA LYS 44 -4.981 6.288 -3.654
352 1HB LYS 44 2HB LYS 44 -3.556 5.710 -5.627
353 2HB LYS 44 1HB LYS 44 -4.444 4.194 -5.782
354 1HG LYS 44 2HG LYS 44 -6.566 5.664 -5.865
355 2HG LYS 44 1HG LYS 44 -5.464 7.007 -6.167
356 1HD LYS 44 2HD LYS 44 -4.678 4.855 -7.863
357 2HD LYS 44 1HD LYS 44 -6.423 5.055 -8.029
358 1HE LYS 44 2HE LYS 44 -6.105 6.916 -9.277
359 2HE LYS 44 1HE LYS 44 -5.172 7.658 -7.960
360 1HZ LYS 44 2HZ LYS 44 -4.114 5.646 -9.878
361 2HZ LYS 44 1HZ LYS 44 -3.817 7.317 -9.965
362 3HZ LYS 44 3HZ LYS 44 -3.234 6.421 -8.648
363 H THR 45 H THR 45 -7.042 6.027 -2.928
364 HA THR 45 HA THR 45 -8.193 3.272 -2.793
365 HB THR 45 HB THR 45 -8.814 5.932 -1.475
366 HG1 THR 45 HG1 THR 45 -8.396 3.612 -0.045
367 1HG2 THR 45 3HG2 THR 45 -10.797 4.227 -2.115
368 2HG2 THR 45 2HG2 THR 45 -10.238 3.452 -0.637
369 3HG2 THR 45 1HG2 THR 45 -10.783 5.127 -0.602
370 H ILE 46 H ILE 46 -10.286 2.877 -3.703
371 HA ILE 46 HA ILE 46 -11.109 4.862 -5.788
372 HB ILE 46 HB ILE 46 -10.438 2.601 -6.532
373 1HG1 ILE 46 2HG1 ILE 46 -13.052 2.015 -7.222
374 2HG1 ILE 46 1HG1 ILE 46 -13.128 3.740 -6.861
375 1HG2 ILE 46 2HG2 ILE 46 -11.780 1.847 -4.154
376 2HG2 ILE 46 1HG2 ILE 46 -12.698 1.140 -5.485
377 3HG2 ILE 46 3HG2 ILE 46 -10.980 0.783 -5.310
378 1HD1 ILE 46 2HD1 ILE 46 -10.936 3.848 -8.311
379 2HD1 ILE 46 1HD1 ILE 46 -11.522 2.318 -8.961
380 3HD1 ILE 46 3HD1 ILE 46 -12.507 3.772 -9.108
381 H TYR 47 H TYR 47 -11.805 5.380 -3.157
382 HA TYR 47 HA TYR 47 -14.642 4.494 -2.910
383 1HB TYR 47 2HB TYR 47 -14.295 4.541 -0.622
384 2HB TYR 47 1HB TYR 47 -12.656 4.200 -1.163
385 HD1 TYR 47 HD2 TYR 47 -11.854 6.902 -2.209
386 HD2 TYR 47 HD1 TYR 47 -13.973 5.790 1.356
387 HE1 TYR 47 HE2 TYR 47 -11.067 8.968 -1.098
388 HE2 TYR 47 HE1 TYR 47 -13.185 7.860 2.468
389 HH TYR 47 HH TYR 47 -11.983 9.708 2.269
390 H GLU 48 H GLU 48 -16.087 6.195 -1.867
391 HA GLU 48 HA GLU 48 -15.828 8.730 -3.351
392 1HB GLU 48 2HB GLU 48 -17.963 7.610 -3.298
393 2HB GLU 48 1HB GLU 48 -17.913 7.499 -1.538
394 1HG GLU 48 2HG GLU 48 -19.304 9.351 -1.863
395 2HG GLU 48 1HG GLU 48 -17.728 10.113 -1.645
396 H ASN 49 H ASN 49 -17.207 8.582 -0.158
397 HA ASN 49 HA ASN 49 -14.963 9.672 1.300
398 1HB ASN 49 2HB ASN 49 -15.774 11.435 -0.493
399 2HB ASN 49 1HB ASN 49 -17.049 11.745 0.685
400 1HD2 ASN 49 1HD2 ASN 49 -13.577 10.933 1.202
401 2HD2 ASN 49 2HD2 ASN 49 -13.234 12.325 2.112
402 H GLU 50 H GLU 50 -18.511 10.093 1.052
403 HA GLU 50 HA GLU 50 -18.827 8.892 3.747
404 1HB GLU 50 2HB GLU 50 -20.216 10.962 4.359
405 2HB GLU 50 1HB GLU 50 -18.470 11.197 4.289
406 1HG GLU 50 2HG GLU 50 -19.486 11.606 1.661
407 2HG GLU 50 1HG GLU 50 -20.500 12.529 2.768
408 H ARG 51 H ARG 51 -19.688 8.765 0.694
409 HA ARG 51 HA ARG 51 -22.589 8.291 1.272
410 1HB ARG 51 2HB ARG 51 -21.516 10.232 -0.328
411 2HB ARG 51 1HB ARG 51 -21.738 8.924 -1.491
412 1HG ARG 51 2HG ARG 51 -24.110 8.732 -0.316
413 2HG ARG 51 1HG ARG 51 -23.790 10.417 0.095
414 1HD ARG 51 2HD ARG 51 -23.064 10.108 -2.636
415 2HD ARG 51 1HD ARG 51 -24.654 9.346 -2.431
416 HE ARG 51 HE ARG 51 -24.018 12.167 -1.675
417 1HH1 ARG 51 2HH1 ARG 51 -26.228 10.900 -0.081
418 2HH1 ARG 51 1HH1 ARG 51 -27.627 11.316 -1.015
419 1HH2 ARG 51 1HH2 ARG 51 -25.813 12.141 -3.853
420 2HH2 ARG 51 2HH2 ARG 51 -27.392 12.018 -3.151
421 H GLU 52 H GLU 52 -19.605 7.149 -0.192
422 HA GLU 52 HA GLU 52 -20.687 4.439 -0.383
423 1HB GLU 52 2HB GLU 52 -20.511 4.345 -2.868
424 2HB GLU 52 1HB GLU 52 -21.731 5.501 -2.326
425 1HG GLU 52 2HG GLU 52 -19.798 7.223 -2.386
426 2HG GLU 52 1HG GLU 52 -18.981 6.040 -3.406
427 H ILE 53 H ILE 53 -18.694 4.371 0.949
428 HA ILE 53 HA ILE 53 -16.062 4.844 -0.141
429 HB ILE 53 HB ILE 53 -16.909 2.943 2.062
430 1HG1 ILE 53 2HG1 ILE 53 -16.253 5.360 3.248
431 2HG1 ILE 53 1HG1 ILE 53 -17.179 5.855 1.831
432 1HG2 ILE 53 3HG2 ILE 53 -14.391 3.764 1.044
433 2HG2 ILE 53 2HG2 ILE 53 -14.598 4.572 2.597
434 3HG2 ILE 53 1HG2 ILE 53 -14.703 2.820 2.496
435 1HD1 ILE 53 2HD1 ILE 53 -18.503 3.610 2.984
436 2HD1 ILE 53 1HD1 ILE 53 -18.154 4.749 4.283
437 3HD1 ILE 53 3HD1 ILE 53 -19.079 5.273 2.876
438 H LYS 54 H LYS 54 -16.205 3.785 -2.232
439 HA LYS 54 HA LYS 54 -16.955 1.136 -2.790
440 1HB LYS 54 2HB LYS 54 -15.623 3.339 -4.002
441 2HB LYS 54 1HB LYS 54 -14.721 1.870 -4.378
442 1HG LYS 54 2HG LYS 54 -16.422 0.971 -5.611
443 2HG LYS 54 1HG LYS 54 -17.674 1.670 -4.581
444 1HD LYS 54 2HD LYS 54 -16.114 3.696 -6.017
445 2HD LYS 54 1HD LYS 54 -16.974 2.596 -7.095
446 1HE LYS 54 2HE LYS 54 -18.805 3.198 -5.031
447 2HE LYS 54 1HE LYS 54 -18.058 4.743 -5.488
448 1HZ LYS 54 2HZ LYS 54 -18.391 4.094 -7.839
449 2HZ LYS 54 1HZ LYS 54 -19.277 2.742 -7.315
450 3HZ LYS 54 3HZ LYS 54 -19.850 4.305 -6.995
451 H GLY 55 H GLY 55 -13.455 2.064 -2.734
452 1HA GLY 55 2HA GLY 55 -12.864 -0.199 -0.961
453 2HA GLY 55 1HA GLY 55 -12.413 -0.486 -2.640
454 H TYR 56 H TYR 56 -10.505 -0.416 -0.603
455 HA TYR 56 HA TYR 56 -9.049 2.134 -1.211
456 1HB TYR 56 2HB TYR 56 -9.578 2.241 1.071
457 2HB TYR 56 1HB TYR 56 -9.447 0.497 1.281
458 HD1 TYR 56 HD2 TYR 56 -6.931 2.538 -0.516
459 HD2 TYR 56 HD1 TYR 56 -7.927 0.549 3.158
460 HE1 TYR 56 HE2 TYR 56 -4.593 2.805 0.263
461 HE2 TYR 56 HE1 TYR 56 -5.589 0.816 3.937
462 HH TYR 56 HH TYR 56 -3.089 2.162 1.817
463 H GLU 57 H GLU 57 -7.551 1.517 -2.745
464 HA GLU 57 HA GLU 57 -6.009 -1.008 -2.254
465 1HB GLU 57 2HB GLU 57 -6.314 0.521 -4.852
466 2HB GLU 57 1HB GLU 57 -5.798 -1.151 -4.639
467 1HG GLU 57 2HG GLU 57 -8.017 -1.463 -5.256
468 2HG GLU 57 1HG GLU 57 -8.170 -1.409 -3.500
469 H TYR 58 H TYR 58 -3.642 -0.804 -2.920
470 HA TYR 58 HA TYR 58 -2.676 2.009 -3.007
471 1HB TYR 58 2HB TYR 58 -1.991 2.086 -0.862
472 2HB TYR 58 1HB TYR 58 -3.042 0.700 -0.615
473 HD1 TYR 58 HD1 TYR 58 -1.627 -1.555 -1.801
474 HD2 TYR 58 HD2 TYR 58 -0.026 1.804 0.344
475 HE1 TYR 58 HE1 TYR 58 0.307 -2.918 -1.092
476 HE2 TYR 58 HE2 TYR 58 1.909 0.437 1.043
477 HH TYR 58 HH TYR 58 2.651 -1.731 1.232
478 H GLN 59 H GLN 59 -0.354 2.193 -3.317
479 HA GLN 59 HA GLN 59 0.915 -0.212 -4.573
480 1HB GLN 59 2HB GLN 59 0.906 2.694 -5.473
481 2HB GLN 59 1HB GLN 59 1.811 1.399 -6.258
482 1HG GLN 59 2HG GLN 59 -0.305 0.195 -6.701
483 2HG GLN 59 1HG GLN 59 -1.204 1.509 -5.939
484 1HE2 GLN 59 2HE2 GLN 59 0.154 3.747 -8.695
485 2HE2 GLN 59 1HE2 GLN 59 0.496 3.659 -7.035
486 H LEU 60 H LEU 60 2.784 -0.654 -3.454
487 HA LEU 60 HA LEU 60 4.150 1.605 -2.031
488 1HB LEU 60 2HB LEU 60 3.244 0.050 -0.470
489 2HB LEU 60 1HB LEU 60 3.732 -1.335 -1.441
490 HG LEU 60 HG LEU 60 6.066 0.223 -0.822
491 1HD1 LEU 60 1HD1 LEU 60 4.273 0.740 1.122
492 2HD1 LEU 60 3HD1 LEU 60 4.888 -0.802 1.719
493 3HD1 LEU 60 2HD1 LEU 60 5.994 0.548 1.458
494 1HD2 LEU 60 1HD2 LEU 60 5.049 -2.512 0.006
495 2HD2 LEU 60 3HD2 LEU 60 6.154 -2.145 -1.319
496 3HD2 LEU 60 2HD2 LEU 60 6.679 -1.936 0.350
497 H TYR 61 H TYR 61 5.114 1.778 -4.363
498 HA TYR 61 HA TYR 61 6.944 -0.270 -5.262
499 1HB TYR 61 2HB TYR 61 5.994 1.238 -6.823
500 2HB TYR 61 1HB TYR 61 6.417 2.638 -5.844
501 HD1 TYR 61 HD2 TYR 61 8.897 -0.012 -6.103
502 HD2 TYR 61 HD1 TYR 61 7.485 3.624 -7.899
503 HE1 TYR 61 HE2 TYR 61 11.034 0.205 -7.341
504 HE2 TYR 61 HE1 TYR 61 9.622 3.841 -9.139
505 HH TYR 61 HH TYR 61 11.866 3.093 -9.074
506 H VAL 62 H VAL 62 8.651 -0.806 -3.952
507 HA VAL 62 HA VAL 62 10.629 1.265 -3.244
508 HB VAL 62 HB VAL 62 10.441 0.629 -0.800
509 1HG1 VAL 62 3HG1 VAL 62 9.360 2.685 -1.806
510 2HG1 VAL 62 2HG1 VAL 62 7.862 1.758 -1.905
511 3HG1 VAL 62 1HG1 VAL 62 8.595 2.084 -0.336
512 1HG2 VAL 62 2HG2 VAL 62 9.095 -1.505 -1.537
513 2HG2 VAL 62 1HG2 VAL 62 8.692 -0.706 -0.017
514 3HG2 VAL 62 3HG2 VAL 62 7.704 -0.424 -1.450
515 H TYR 63 H TYR 63 12.051 -0.193 -1.382
516 HA TYR 63 HA TYR 63 12.470 -2.869 -2.650
517 1HB TYR 63 2HB TYR 63 14.026 -0.983 -3.452
518 2HB TYR 63 1HB TYR 63 14.712 -1.017 -1.826
519 HD1 TYR 63 HD1 TYR 63 15.110 -3.582 -0.947
520 HD2 TYR 63 HD2 TYR 63 15.134 -2.263 -5.034
521 HE1 TYR 63 HE1 TYR 63 16.488 -5.547 -1.574
522 HE2 TYR 63 HE2 TYR 63 16.513 -4.227 -5.662
523 HH TYR 63 HH TYR 63 16.993 -6.478 -4.814
524 H ALA 64 H ALA 64 12.886 -4.464 -1.162
525 HA ALA 64 HA ALA 64 13.499 -3.640 1.644
526 1HB ALA 64 2HB ALA 64 11.071 -4.053 1.226
527 2HB ALA 64 1HB ALA 64 11.474 -5.688 0.705
528 3HB ALA 64 3HB ALA 64 11.761 -5.200 2.372
529 H SER 65 H SER 65 12.982 -6.675 2.140
530 HA SER 65 HA SER 65 15.766 -7.507 1.707
531 1HB SER 65 2HB SER 65 13.717 -7.998 3.535
532 2HB SER 65 1HB SER 65 13.849 -9.511 2.644
533 HG SER 65 HG SER 65 15.486 -9.825 3.933
534 H ASP 66 H ASP 66 12.544 -8.362 0.472
535 HA ASP 66 HA ASP 66 13.867 -9.812 -1.786
536 1HB ASP 66 2HB ASP 66 11.871 -10.753 0.238
537 2HB ASP 66 1HB ASP 66 11.731 -11.369 -1.409
538 H LYS 67 H LYS 67 12.014 -7.281 -0.960
539 HA LYS 67 HA LYS 67 10.022 -7.592 -3.177
540 1HB LYS 67 2HB LYS 67 8.830 -6.968 -1.324
541 2HB LYS 67 1HB LYS 67 10.218 -6.207 -0.559
542 1HG LYS 67 2HG LYS 67 9.283 -4.827 -2.992
543 2HG LYS 67 1HG LYS 67 8.114 -4.841 -1.674
544 1HD LYS 67 2HD LYS 67 10.903 -4.251 -0.880
545 2HD LYS 67 1HD LYS 67 10.127 -3.020 -1.873
546 1HE LYS 67 2HE LYS 67 9.826 -2.773 0.663
547 2HE LYS 67 1HE LYS 67 8.330 -2.762 -0.289
548 1HZ LYS 67 3HZ LYS 67 9.514 -5.232 0.850
549 2HZ LYS 67 2HZ LYS 67 8.325 -4.325 1.652
550 3HZ LYS 67 1HZ LYS 67 7.978 -5.050 0.157
551 H LEU 68 H LEU 68 11.354 -7.059 -4.933
552 HA LEU 68 HA LEU 68 12.732 -4.399 -4.915
553 1HB LEU 68 2HB LEU 68 13.362 -5.454 -7.313
554 2HB LEU 68 1HB LEU 68 14.268 -5.840 -5.856
555 HG LEU 68 HG LEU 68 11.876 -7.490 -6.649
556 1HD1 LEU 68 2HD1 LEU 68 14.175 -7.158 -8.254
557 2HD1 LEU 68 1HD1 LEU 68 14.384 -8.701 -7.424
558 3HD1 LEU 68 3HD1 LEU 68 12.944 -8.413 -8.402
559 1HD2 LEU 68 2HD2 LEU 68 13.315 -7.539 -4.400
560 2HD2 LEU 68 1HD2 LEU 68 12.722 -9.030 -5.133
561 3HD2 LEU 68 3HD2 LEU 68 14.391 -8.523 -5.393
562 H PHE 69 H PHE 69 10.222 -3.732 -4.923
563 HA PHE 69 HA PHE 69 9.645 -2.576 -7.439
564 1HB PHE 69 2HB PHE 69 7.730 -4.293 -7.979
565 2HB PHE 69 1HB PHE 69 9.368 -4.683 -8.426
566 HD1 PHE 69 HD1 PHE 69 7.717 -4.785 -5.059
567 HD2 PHE 69 HD2 PHE 69 9.579 -6.995 -8.237
568 HE1 PHE 69 HE1 PHE 69 7.661 -6.834 -3.668
569 HE2 PHE 69 HE2 PHE 69 9.522 -9.044 -6.845
570 HZ PHE 69 HZ PHE 69 8.565 -8.964 -4.561
571 H ARG 70 H ARG 70 6.648 -3.775 -6.753
572 HA ARG 70 HA ARG 70 6.189 -1.773 -4.578
573 1HB ARG 70 2HB ARG 70 5.533 -0.835 -6.710
574 2HB ARG 70 1HB ARG 70 4.651 -2.303 -7.127
575 1HG ARG 70 2HG ARG 70 3.265 -1.831 -4.960
576 2HG ARG 70 1HG ARG 70 3.925 -0.199 -5.077
577 1HD ARG 70 2HD ARG 70 1.692 -0.505 -6.244
578 2HD ARG 70 1HD ARG 70 2.983 0.078 -7.311
579 HE ARG 70 HE ARG 70 2.809 -2.839 -7.177
580 1HH1 ARG 70 1HH1 ARG 70 0.452 -1.346 -9.851
581 2HH1 ARG 70 2HH1 ARG 70 0.299 -1.074 -8.148
582 1HH2 ARG 70 1HH2 ARG 70 3.629 -2.714 -9.617
583 2HH2 ARG 70 2HH2 ARG 70 2.337 -2.274 -10.682
584 H ALA 71 H ALA 71 5.254 -2.716 -2.850
585 HA ALA 71 HA ALA 71 3.890 -5.315 -3.101
586 1HB ALA 71 1HB ALA 71 5.368 -4.016 -1.156
587 2HB ALA 71 3HB ALA 71 3.718 -3.770 -0.587
588 3HB ALA 71 2HB ALA 71 4.325 -5.405 -0.848
589 H ASP 72 H ASP 72 1.866 -5.052 -4.090
590 HA ASP 72 HA ASP 72 0.293 -2.605 -3.595
591 1HB ASP 72 2HB ASP 72 0.579 -3.744 -5.820
592 2HB ASP 72 1HB ASP 72 -0.348 -5.106 -5.187
593 H ILE 73 H ILE 73 -2.125 -2.952 -3.136
594 HA ILE 73 HA ILE 73 -2.968 -5.325 -1.716
595 HB ILE 73 HB ILE 73 -1.255 -3.848 -0.262
596 1HG1 ILE 73 2HG1 ILE 73 -2.290 -5.990 0.393
597 2HG1 ILE 73 1HG1 ILE 73 -2.300 -4.845 1.736
598 1HG2 ILE 73 3HG2 ILE 73 -2.910 -1.871 -0.451
599 2HG2 ILE 73 2HG2 ILE 73 -3.918 -2.775 0.675
600 3HG2 ILE 73 1HG2 ILE 73 -2.301 -2.262 1.154
601 1HD1 ILE 73 1HD1 ILE 73 -4.665 -4.192 0.753
602 2HD1 ILE 73 3HD1 ILE 73 -4.585 -5.808 0.049
603 3HD1 ILE 73 2HD1 ILE 73 -4.498 -5.603 1.799
604 H SER 74 H SER 74 -5.105 -5.354 -2.236
605 HA SER 74 HA SER 74 -6.537 -2.732 -2.453
606 1HB SER 74 2HB SER 74 -6.291 -5.048 -4.113
607 2HB SER 74 1HB SER 74 -7.965 -4.968 -3.571
608 HG SER 74 HG SER 74 -6.473 -3.172 -5.116
609 H GLU 75 H GLU 75 -8.781 -2.713 -1.515
610 HA GLU 75 HA GLU 75 -9.424 -5.010 0.270
611 1HB GLU 75 2HB GLU 75 -8.016 -2.768 1.124
612 2HB GLU 75 1HB GLU 75 -9.673 -2.438 1.633
613 1HG GLU 75 2HG GLU 75 -8.544 -5.170 2.117
614 2HG GLU 75 1HG GLU 75 -8.053 -3.852 3.181
615 H ASP 76 H ASP 76 -11.481 -5.475 -0.363
616 HA ASP 76 HA ASP 76 -13.383 -3.863 -1.614
617 1HB ASP 76 2HB ASP 76 -14.814 -5.649 -1.120
618 2HB ASP 76 1HB ASP 76 -13.246 -6.398 -0.842
619 H TYR 77 H TYR 77 -15.168 -2.538 -0.852
620 HA TYR 77 HA TYR 77 -15.279 -1.974 2.064
621 1HB TYR 77 2HB TYR 77 -13.593 -0.477 0.736
622 2HB TYR 77 1HB TYR 77 -15.040 0.326 0.140
623 HD1 TYR 77 HD1 TYR 77 -16.890 0.650 2.154
624 HD2 TYR 77 HD2 TYR 77 -12.617 0.535 2.581
625 HE1 TYR 77 HE1 TYR 77 -17.068 1.895 4.292
626 HE2 TYR 77 HE2 TYR 77 -12.795 1.782 4.717
627 HH TYR 77 HH TYR 77 -15.475 3.451 5.650
628 H LYS 78 H LYS 78 -16.554 -0.222 -0.805
629 HA LYS 78 HA LYS 78 -19.305 -0.817 0.233
630 1HB LYS 78 2HB LYS 78 -18.774 1.544 0.206
631 2HB LYS 78 1HB LYS 78 -18.165 1.437 -1.444
632 1HG LYS 78 2HG LYS 78 -20.952 0.506 -1.003
633 2HG LYS 78 1HG LYS 78 -20.674 2.243 -0.878
634 1HD LYS 78 2HD LYS 78 -20.045 2.445 -3.097
635 2HD LYS 78 1HD LYS 78 -19.466 0.780 -3.192
636 1HE LYS 78 2HE LYS 78 -21.886 0.027 -2.995
637 2HE LYS 78 1HE LYS 78 -22.349 1.728 -3.203
638 1HZ LYS 78 1HZ LYS 78 -20.895 1.747 -5.209
639 2HZ LYS 78 3HZ LYS 78 -20.735 0.065 -5.062
640 3HZ LYS 78 2HZ LYS 78 -22.262 0.750 -5.359
641 H THR 79 H THR 79 -17.277 -0.701 -2.686
642 HA THR 79 HA THR 79 -19.426 -1.850 -4.357
643 HB THR 79 HB THR 79 -16.633 -0.799 -4.694
644 HG1 THR 79 HG1 THR 79 -18.851 0.250 -4.972
645 1HG2 THR 79 3HG2 THR 79 -18.014 -2.763 -6.513
646 2HG2 THR 79 2HG2 THR 79 -16.913 -1.552 -7.171
647 3HG2 THR 79 1HG2 THR 79 -16.327 -2.732 -5.997
648 H ARG 80 H ARG 80 -17.646 -3.104 -1.989
649 HA ARG 80 HA ARG 80 -17.064 -5.294 -1.414
650 1HB ARG 80 2HB ARG 80 -18.240 -6.068 -4.091
651 2HB ARG 80 1HB ARG 80 -18.216 -7.012 -2.604
652 1HG ARG 80 2HG ARG 80 -19.621 -4.358 -2.587
653 2HG ARG 80 1HG ARG 80 -20.412 -5.728 -3.353
654 1HD ARG 80 2HD ARG 80 -20.808 -5.281 -0.789
655 2HD ARG 80 1HD ARG 80 -20.536 -6.945 -1.339
656 HE ARG 80 HE ARG 80 -18.137 -6.647 -0.691
657 1HH1 ARG 80 2HH1 ARG 80 -18.580 -3.576 -0.429
658 2HH1 ARG 80 1HH1 ARG 80 -18.477 -3.404 1.292
659 1HH2 ARG 80 1HH2 ARG 80 -18.828 -6.797 1.917
660 2HH2 ARG 80 2HH2 ARG 80 -18.617 -5.228 2.619
661 H GLY 81 H GLY 81 -14.995 -3.803 -2.492
662 1HA GLY 81 2HA GLY 81 -13.696 -4.992 -4.757
663 2HA GLY 81 1HA GLY 81 -12.877 -4.071 -3.490
664 H ARG 82 H ARG 82 -11.272 -5.345 -2.550
665 HA ARG 82 HA ARG 82 -11.996 -7.837 -1.280
666 1HB ARG 82 2HB ARG 82 -11.008 -9.385 -2.781
667 2HB ARG 82 1HB ARG 82 -11.989 -8.315 -3.781
668 1HG ARG 82 2HG ARG 82 -10.014 -7.009 -4.385
669 2HG ARG 82 1HG ARG 82 -9.010 -7.988 -3.315
670 1HD ARG 82 2HD ARG 82 -8.969 -8.619 -5.817
671 2HD ARG 82 1HD ARG 82 -9.303 -9.944 -4.684
672 HE ARG 82 HE ARG 82 -11.486 -8.433 -6.076
673 1HH1 ARG 82 2HH1 ARG 82 -13.323 -9.746 -5.013
674 2HH1 ARG 82 1HH1 ARG 82 -13.213 -11.444 -5.336
675 1HH2 ARG 82 1HH2 ARG 82 -9.919 -11.296 -6.409
676 2HH2 ARG 82 2HH2 ARG 82 -11.286 -12.323 -6.127
677 H LYS 83 H LYS 83 -10.037 -8.996 -0.416
678 HA LYS 83 HA LYS 83 -7.897 -7.037 0.288
679 1HB LYS 83 2HB LYS 83 -9.261 -9.367 1.523
680 2HB LYS 83 1HB LYS 83 -7.534 -9.246 1.859
681 1HG LYS 83 2HG LYS 83 -7.792 -7.010 2.741
682 2HG LYS 83 1HG LYS 83 -9.479 -6.953 2.229
683 1HD LYS 83 2HD LYS 83 -8.511 -9.097 4.112
684 2HD LYS 83 1HD LYS 83 -8.986 -7.509 4.716
685 1HE LYS 83 2HE LYS 83 -10.755 -9.275 2.985
686 2HE LYS 83 1HE LYS 83 -10.893 -9.127 4.748
687 1HZ LYS 83 2HZ LYS 83 -10.876 -6.612 4.250
688 2HZ LYS 83 1HZ LYS 83 -11.333 -7.072 2.679
689 3HZ LYS 83 3HZ LYS 83 -12.316 -7.480 4.000
690 H LEU 84 H LEU 84 -6.012 -7.257 -0.894
691 HA LEU 84 HA LEU 84 -4.779 -9.844 -1.353
692 1HB LEU 84 2HB LEU 84 -6.504 -10.068 -3.009
693 2HB LEU 84 1HB LEU 84 -6.278 -8.407 -3.560
694 HG LEU 84 HG LEU 84 -3.823 -10.013 -3.680
695 1HD1 LEU 84 2HD1 LEU 84 -6.208 -11.295 -4.494
696 2HD1 LEU 84 1HD1 LEU 84 -5.414 -10.754 -5.973
697 3HD1 LEU 84 3HD1 LEU 84 -4.553 -11.797 -4.841
698 1HD2 LEU 84 1HD2 LEU 84 -5.360 -8.044 -5.326
699 2HD2 LEU 84 3HD2 LEU 84 -3.663 -8.018 -4.845
700 3HD2 LEU 84 2HD2 LEU 84 -4.193 -9.074 -6.154
701 H LEU 85 H LEU 85 -2.595 -9.413 -1.514
702 HA LEU 85 HA LEU 85 -1.826 -6.659 -2.395
703 1HB LEU 85 2HB LEU 85 -0.701 -6.525 -0.431
704 2HB LEU 85 1HB LEU 85 -1.453 -8.045 0.026
705 HG LEU 85 HG LEU 85 1.070 -7.998 -1.630
706 1HD1 LEU 85 2HD1 LEU 85 0.814 -6.965 0.985
707 2HD1 LEU 85 1HD1 LEU 85 1.539 -8.562 1.158
708 3HD1 LEU 85 3HD1 LEU 85 2.306 -7.353 0.130
709 1HD2 LEU 85 3HD2 LEU 85 -0.700 -9.982 -0.551
710 2HD2 LEU 85 2HD2 LEU 85 0.765 -10.230 -1.498
711 3HD2 LEU 85 1HD2 LEU 85 0.858 -10.130 0.259
712 H ARG 86 H ARG 86 0.475 -6.613 -3.330
713 HA ARG 86 HA ARG 86 1.141 -9.151 -4.772
714 1HB ARG 86 2HB ARG 86 1.111 -6.405 -6.044
715 2HB ARG 86 1HB ARG 86 1.182 -7.972 -6.851
716 1HG ARG 86 2HG ARG 86 -1.088 -8.496 -6.085
717 2HG ARG 86 1HG ARG 86 -1.164 -6.962 -5.217
718 1HD ARG 86 2HD ARG 86 -1.579 -5.770 -7.123
719 2HD ARG 86 1HD ARG 86 -0.434 -6.731 -8.080
720 HE ARG 86 HE ARG 86 -2.606 -8.422 -7.377
721 1HH1 ARG 86 1HH2 ARG 86 -1.359 -7.370 -10.113
722 2HH1 ARG 86 2HH2 ARG 86 -2.828 -6.911 -10.910
723 1HH2 ARG 86 2HH1 ARG 86 -4.755 -7.082 -8.034
724 2HH2 ARG 86 1HH1 ARG 86 -4.749 -6.749 -9.733
725 H PHE 87 H PHE 87 3.297 -8.412 -6.175
726 HA PHE 87 HA PHE 87 5.152 -6.727 -4.602
727 1HB PHE 87 2HB PHE 87 5.598 -9.712 -4.942
728 2HB PHE 87 1HB PHE 87 6.619 -8.590 -4.047
729 HD1 PHE 87 HD2 PHE 87 5.635 -7.396 -2.008
730 HD2 PHE 87 HD1 PHE 87 3.733 -10.745 -3.918
731 HE1 PHE 87 HE2 PHE 87 4.247 -7.773 0.015
732 HE2 PHE 87 HE1 PHE 87 2.351 -11.117 -1.890
733 HZ PHE 87 HZ PHE 87 2.620 -9.619 0.064
734 H ASN 88 H ASN 88 4.663 -5.972 -7.097
735 HA ASN 88 HA ASN 88 7.060 -6.857 -8.590
736 1HB ASN 88 2HB ASN 88 4.501 -6.904 -10.106
737 2HB ASN 88 1HB ASN 88 5.987 -7.809 -10.378
738 1HD2 ASN 88 2HD2 ASN 88 5.042 -10.523 -8.286
739 2HD2 ASN 88 1HD2 ASN 88 6.301 -9.803 -9.167
740 H GLY 89 H GLY 89 6.358 -5.782 -11.075
741 1HA GLY 89 2HA GLY 89 6.258 -3.715 -12.207
742 2HA GLY 89 1HA GLY 89 5.382 -3.058 -10.811
743 HA PRO 90 HA PRO 90 9.808 -3.111 -9.196
744 1HB PRO 90 2HB PRO 90 11.791 -4.235 -10.722
745 2HB PRO 90 1HB PRO 90 10.809 -5.153 -9.564
746 1HG PRO 90 2HG PRO 90 10.504 -4.919 -12.520
747 2HG PRO 90 1HG PRO 90 10.350 -6.345 -11.480
748 1HD PRO 90 2HD PRO 90 8.202 -5.001 -12.422
749 2HD PRO 90 1HD PRO 90 8.205 -5.816 -10.841
750 H VAL 91 HN VAL 91 12.158 -2.200 -10.022
751 HA VAL 91 HA VAL 91 11.616 0.314 -11.301
752 HB VAL 91 HB VAL 91 14.124 0.444 -11.086
753 1HG1 VAL 91 1HG1 VAL 91 12.148 0.047 -9.012
754 2HG1 VAL 91 3HG1 VAL 91 13.732 -0.506 -8.468
755 3HG1 VAL 91 2HG1 VAL 91 13.524 1.151 -9.033
756 1HG2 VAL 91 2HG2 VAL 91 13.928 -2.333 -11.234
757 2HG2 VAL 91 1HG2 VAL 91 15.378 -1.418 -10.822
758 3HG2 VAL 91 3HG2 VAL 91 14.321 -2.020 -9.543
No H/Q in entry = 758
Start of MODEL 20
1 1H GLY 1 3H GLY 1 -12.809 9.880 -5.726
2 2H GLY 1 2H GLY 1 -13.286 8.251 -5.802
3 3H GLY 1 1H GLY 1 -12.276 8.786 -4.545
4 1HA GLY 1 2HA GLY 1 -10.958 7.597 -6.140
5 2HA GLY 1 1HA GLY 1 -11.580 8.630 -7.427
6 H GLU 2 H GLU 2 -9.006 8.214 -5.349
7 HA GLU 2 HA GLU 2 -7.833 10.784 -6.098
8 1HB GLU 2 2HB GLU 2 -7.773 11.714 -3.835
9 2HB GLU 2 1HB GLU 2 -9.446 11.367 -4.274
10 1HG GLU 2 2HG GLU 2 -9.575 9.514 -2.864
11 2HG GLU 2 1HG GLU 2 -7.828 9.266 -2.864
12 H TRP 3 H TRP 3 -5.565 10.915 -5.393
13 HA TRP 3 HA TRP 3 -4.517 8.368 -4.235
14 1HB TRP 3 2HB TRP 3 -2.935 8.188 -5.979
15 2HB TRP 3 1HB TRP 3 -4.409 8.686 -6.804
16 HD1 TRP 3 HD1 TRP 3 -4.605 11.584 -6.850
17 HE1 TRP 3 HE1 TRP 3 -2.757 13.187 -7.664
18 HE3 TRP 3 HE3 TRP 3 -0.529 8.541 -6.389
19 HZ2 TRP 3 HZ2 TRP 3 0.075 13.179 -8.067
20 HZ3 TRP 3 HZ3 TRP 3 1.730 9.363 -6.995
21 HH2 TRP 3 HH2 TRP 3 2.036 11.677 -7.833
22 H GLU 4 H GLU 4 -2.147 8.672 -3.544
23 HA GLU 4 HA GLU 4 -1.035 11.257 -3.017
24 1HB GLU 4 2HB GLU 4 -2.831 11.761 -1.603
25 2HB GLU 4 1HB GLU 4 -3.027 10.085 -1.095
26 1HG GLU 4 2HG GLU 4 -2.106 11.295 0.769
27 2HG GLU 4 1HG GLU 4 -0.815 10.289 0.115
28 H ILE 5 H ILE 5 0.873 11.061 -1.551
29 HA ILE 5 HA ILE 5 1.744 8.209 -1.224
30 HB ILE 5 HB ILE 5 3.172 9.050 -2.830
31 1HG1 ILE 5 2HG1 ILE 5 4.445 9.987 -0.249
32 2HG1 ILE 5 1HG1 ILE 5 4.627 8.401 -1.002
33 1HG2 ILE 5 1HG2 ILE 5 2.888 11.741 -1.478
34 2HG2 ILE 5 3HG2 ILE 5 3.979 11.445 -2.832
35 3HG2 ILE 5 2HG2 ILE 5 2.237 11.260 -3.045
36 1HD1 ILE 5 2HD1 ILE 5 5.295 10.202 -3.027
37 2HD1 ILE 5 1HD1 ILE 5 6.033 10.885 -1.578
38 3HD1 ILE 5 3HD1 ILE 5 6.424 9.238 -2.075
39 H ILE 6 H ILE 6 3.576 8.076 0.475
40 HA ILE 6 HA ILE 6 2.656 9.546 2.916
41 HB ILE 6 HB ILE 6 3.575 7.648 4.109
42 1HG1 ILE 6 2HG1 ILE 6 4.446 5.905 2.069
43 2HG1 ILE 6 1HG1 ILE 6 5.206 7.458 1.722
44 1HG2 ILE 6 3HG2 ILE 6 1.606 7.433 2.057
45 2HG2 ILE 6 2HG2 ILE 6 2.530 5.932 2.066
46 3HG2 ILE 6 1HG2 ILE 6 1.733 6.487 3.539
47 1HD1 ILE 6 1HD1 ILE 6 5.973 7.558 4.104
48 2HD1 ILE 6 3HD1 ILE 6 5.321 5.941 4.343
49 3HD1 ILE 6 2HD1 ILE 6 6.654 6.196 3.220
50 H ASP 7 H ASP 7 5.005 9.113 4.471
51 HA ASP 7 HA ASP 7 7.062 10.710 2.981
52 1HB ASP 7 2HB ASP 7 7.310 11.938 5.208
53 2HB ASP 7 1HB ASP 7 5.808 12.234 4.332
54 H ILE 8 H ILE 8 7.572 8.058 3.114
55 HA ILE 8 HA ILE 8 8.942 6.371 4.040
56 HB ILE 8 HB ILE 8 10.435 8.128 3.035
57 1HG1 ILE 8 2HG1 ILE 8 11.753 6.989 5.494
58 2HG1 ILE 8 1HG1 ILE 8 11.174 5.923 4.213
59 1HG2 ILE 8 2HG2 ILE 8 10.308 9.140 5.868
60 2HG2 ILE 8 1HG2 ILE 8 11.738 9.434 4.880
61 3HG2 ILE 8 3HG2 ILE 8 10.167 10.045 4.361
62 1HD1 ILE 8 1HD1 ILE 8 12.595 8.098 3.005
63 2HD1 ILE 8 3HD1 ILE 8 13.602 7.414 4.281
64 3HD1 ILE 8 2HD1 ILE 8 12.999 6.382 2.983
65 H GLY 9 H GLY 9 6.965 7.053 5.812
66 1HA GLY 9 2HA GLY 9 8.395 6.823 8.426
67 2HA GLY 9 1HA GLY 9 7.016 7.909 8.270
68 HA PRO 10 HA PRO 10 4.333 4.529 8.953
69 1HB PRO 10 2HB PRO 10 2.247 4.986 7.247
70 2HB PRO 10 1HB PRO 10 2.587 5.999 8.662
71 1HG PRO 10 2HG PRO 10 2.992 6.569 5.813
72 2HG PRO 10 1HG PRO 10 2.797 7.681 7.172
73 1HD PRO 10 2HD PRO 10 5.209 6.942 5.872
74 2HD PRO 10 1HD PRO 10 5.034 7.966 7.308
75 H PHE 11 H PHE 11 3.871 4.851 5.400
76 HA PHE 11 HA PHE 11 3.458 2.182 4.763
77 1HB PHE 11 2HB PHE 11 4.841 4.472 3.396
78 2HB PHE 11 1HB PHE 11 4.822 2.892 2.617
79 HD1 PHE 11 HD1 PHE 11 2.185 4.302 4.831
80 HD2 PHE 11 HD2 PHE 11 3.325 3.290 0.817
81 HE1 PHE 11 HE1 PHE 11 -0.141 4.692 4.076
82 HE2 PHE 11 HE2 PHE 11 0.998 3.677 0.062
83 HZ PHE 11 HZ PHE 11 -0.736 4.379 1.691
84 H THR 12 H THR 12 6.470 3.739 5.662
85 HA THR 12 HA THR 12 8.297 1.686 4.871
86 HB THR 12 HB THR 12 9.779 2.938 6.276
87 HG1 THR 12 HG1 THR 12 8.380 4.565 7.670
88 1HG2 THR 12 2HG2 THR 12 8.469 4.162 4.341
89 2HG2 THR 12 1HG2 THR 12 7.779 5.076 5.678
90 3HG2 THR 12 3HG2 THR 12 9.521 5.081 5.415
91 H GLN 13 H GLN 13 6.958 2.497 8.071
92 HA GLN 13 HA GLN 13 7.740 0.021 9.319
93 1HB GLN 13 2HB GLN 13 7.259 2.064 10.571
94 2HB GLN 13 1HB GLN 13 5.606 2.081 9.954
95 1HG GLN 13 2HG GLN 13 5.456 -0.305 11.019
96 2HG GLN 13 1HG GLN 13 6.853 0.219 11.961
97 1HE2 GLN 13 2HE2 GLN 13 4.619 3.147 13.033
98 2HE2 GLN 13 1HE2 GLN 13 5.895 3.091 11.915
99 H ASN 14 H ASN 14 5.030 1.013 7.407
100 HA ASN 14 HA ASN 14 3.264 -1.192 8.074
101 1HB ASN 14 2HB ASN 14 3.177 1.243 6.689
102 2HB ASN 14 1HB ASN 14 2.885 0.012 5.458
103 1HD2 ASN 14 2HD2 ASN 14 -0.414 -0.524 6.534
104 2HD2 ASN 14 1HD2 ASN 14 0.740 -0.639 5.294
105 H LEU 15 H LEU 15 5.162 -0.411 5.200
106 HA LEU 15 HA LEU 15 4.897 -2.584 3.563
107 1HB LEU 15 2HB LEU 15 6.404 -0.794 3.048
108 2HB LEU 15 1HB LEU 15 7.355 -1.085 4.502
109 HG LEU 15 HG LEU 15 7.080 -3.250 2.434
110 1HD1 LEU 15 2HD1 LEU 15 8.299 -0.667 2.026
111 2HD1 LEU 15 1HD1 LEU 15 9.545 -1.914 2.044
112 3HD1 LEU 15 3HD1 LEU 15 8.200 -2.027 0.910
113 1HD2 LEU 15 1HD2 LEU 15 8.720 -2.630 4.815
114 2HD2 LEU 15 3HD2 LEU 15 8.279 -4.195 4.130
115 3HD2 LEU 15 2HD2 LEU 15 9.625 -3.282 3.448
116 H GLY 16 H GLY 16 7.212 -2.485 6.298
117 1HA GLY 16 2HA GLY 16 8.061 -5.176 6.136
118 2HA GLY 16 1HA GLY 16 8.066 -4.225 7.621
119 H LYS 17 H LYS 17 5.359 -3.771 8.018
120 HA LYS 17 HA LYS 17 4.490 -6.322 9.075
121 1HB LYS 17 2HB LYS 17 4.043 -3.635 9.533
122 2HB LYS 17 1HB LYS 17 2.504 -4.184 8.866
123 1HG LYS 17 2HG LYS 17 2.070 -5.576 10.639
124 2HG LYS 17 1HG LYS 17 3.776 -5.930 10.915
125 1HD LYS 17 2HD LYS 17 4.107 -4.028 12.199
126 2HD LYS 17 1HD LYS 17 2.801 -3.143 11.409
127 1HE LYS 17 2HE LYS 17 2.164 -3.772 13.723
128 2HE LYS 17 1HE LYS 17 1.142 -4.622 12.546
129 1HZ LYS 17 3HZ LYS 17 2.739 -6.477 12.619
130 2HZ LYS 17 2HZ LYS 17 3.593 -5.681 13.854
131 3HZ LYS 17 1HZ LYS 17 2.000 -6.207 14.121
132 H PHE 18 H PHE 18 2.597 -4.184 7.013
133 HA PHE 18 HA PHE 18 0.681 -5.876 6.046
134 1HB PHE 18 2HB PHE 18 2.029 -3.467 5.193
135 2HB PHE 18 1HB PHE 18 1.555 -4.433 3.795
136 HD1 PHE 18 HD1 PHE 18 0.306 -2.788 6.881
137 HD2 PHE 18 HD2 PHE 18 -0.745 -4.713 3.188
138 HE1 PHE 18 HE1 PHE 18 -2.046 -2.058 7.170
139 HE2 PHE 18 HE2 PHE 18 -3.097 -3.983 3.477
140 HZ PHE 18 HZ PHE 18 -3.748 -2.656 5.469
141 H ALA 19 H ALA 19 3.894 -5.553 4.628
142 HA ALA 19 HA ALA 19 3.666 -7.408 2.522
143 1HB ALA 19 3HB ALA 19 5.532 -5.817 2.964
144 2HB ALA 19 2HB ALA 19 6.055 -6.839 4.303
145 3HB ALA 19 1HB ALA 19 6.112 -7.452 2.651
146 H VAL 20 H VAL 20 5.555 -8.233 5.454
147 HA VAL 20 HA VAL 20 5.586 -10.972 5.198
148 HB VAL 20 HB VAL 20 5.903 -10.976 7.601
149 1HG1 VAL 20 2HG1 VAL 20 7.149 -9.064 5.835
150 2HG1 VAL 20 1HG1 VAL 20 7.148 -8.467 7.495
151 3HG1 VAL 20 3HG1 VAL 20 7.876 -10.027 7.118
152 1HG2 VAL 20 2HG2 VAL 20 3.828 -9.471 7.944
153 2HG2 VAL 20 1HG2 VAL 20 5.187 -9.251 9.047
154 3HG2 VAL 20 3HG2 VAL 20 4.944 -8.127 7.711
155 H ASP 21 H ASP 21 2.802 -8.996 6.010
156 HA ASP 21 HA ASP 21 1.230 -11.331 6.922
157 1HB ASP 21 2HB ASP 21 1.080 -8.388 6.930
158 2HB ASP 21 1HB ASP 21 -0.472 -9.170 6.628
159 H GLU 22 H GLU 22 0.339 -8.804 4.530
160 HA GLU 22 HA GLU 22 -1.360 -10.544 3.073
161 1HB GLU 22 2HB GLU 22 0.174 -8.070 2.231
162 2HB GLU 22 1HB GLU 22 -1.136 -8.786 1.289
163 1HG GLU 22 2HG GLU 22 -1.625 -8.160 4.177
164 2HG GLU 22 1HG GLU 22 -1.622 -6.832 3.015
165 H GLU 23 H GLU 23 2.089 -9.886 2.726
166 HA GLU 23 HA GLU 23 2.476 -11.395 0.309
167 1HB GLU 23 2HB GLU 23 4.011 -9.713 1.541
168 2HB GLU 23 1HB GLU 23 4.470 -11.078 2.561
169 1HG GLU 23 2HG GLU 23 4.571 -11.949 -0.153
170 2HG GLU 23 1HG GLU 23 5.442 -10.419 -0.045
171 H ASN 24 H ASN 24 2.915 -12.295 3.757
172 HA ASN 24 HA ASN 24 3.459 -15.078 3.189
173 1HB ASN 24 2HB ASN 24 4.002 -13.913 5.320
174 2HB ASN 24 1HB ASN 24 2.278 -13.708 5.636
175 1HD2 ASN 24 2HD2 ASN 24 3.426 -16.798 7.413
176 2HD2 ASN 24 1HD2 ASN 24 3.852 -15.156 7.484
177 H LYS 25 H LYS 25 0.527 -13.272 4.128
178 HA LYS 25 HA LYS 25 -1.303 -15.449 4.083
179 1HB LYS 25 2HB LYS 25 -1.438 -12.895 4.777
180 2HB LYS 25 1HB LYS 25 -2.056 -12.712 3.135
181 1HG LYS 25 2HG LYS 25 -4.054 -13.577 3.713
182 2HG LYS 25 1HG LYS 25 -3.289 -14.982 4.456
183 1HD LYS 25 2HD LYS 25 -3.051 -13.891 6.546
184 2HD LYS 25 1HD LYS 25 -3.335 -12.300 5.839
185 1HE LYS 25 2HE LYS 25 -5.315 -13.270 7.126
186 2HE LYS 25 1HE LYS 25 -5.676 -12.821 5.446
187 1HZ LYS 25 3HZ LYS 25 -4.654 -15.511 6.088
188 2HZ LYS 25 2HZ LYS 25 -6.312 -15.173 6.251
189 3HZ LYS 25 1HZ LYS 25 -5.552 -15.007 4.740
190 H ILE 26 H ILE 26 -0.231 -13.286 1.497
191 HA ILE 26 HA ILE 26 -1.949 -14.480 -0.519
192 HB ILE 26 HB ILE 26 -0.784 -12.124 -0.392
193 1HG1 ILE 26 2HG1 ILE 26 -0.955 -11.915 -2.813
194 2HG1 ILE 26 1HG1 ILE 26 -0.848 -13.666 -2.997
195 1HG2 ILE 26 1HG2 ILE 26 1.346 -13.852 -1.667
196 2HG2 ILE 26 3HG2 ILE 26 1.266 -12.104 -1.862
197 3HG2 ILE 26 2HG2 ILE 26 1.507 -12.798 -0.269
198 1HD1 ILE 26 3HD1 ILE 26 -2.983 -12.540 -1.223
199 2HD1 ILE 26 2HD1 ILE 26 -3.208 -12.461 -2.970
200 3HD1 ILE 26 1HD1 ILE 26 -2.990 -14.023 -2.179
201 H GLY 27 H GLY 27 0.950 -15.439 0.968
202 1HA GLY 27 2HA GLY 27 2.095 -17.497 0.632
203 2HA GLY 27 1HA GLY 27 1.175 -17.735 -0.854
204 H GLN 28 H GLN 28 3.907 -15.951 0.539
205 HA GLN 28 HA GLN 28 5.141 -15.912 -2.183
206 1HB GLN 28 2HB GLN 28 3.946 -13.729 -0.917
207 2HB GLN 28 1HB GLN 28 5.668 -13.512 -0.598
208 1HG GLN 28 2HG GLN 28 4.364 -13.895 -3.308
209 2HG GLN 28 1HG GLN 28 5.128 -12.424 -2.704
210 1HE2 GLN 28 2HE2 GLN 28 7.439 -15.447 -4.175
211 2HE2 GLN 28 1HE2 GLN 28 5.763 -15.651 -3.996
212 H TYR 29 H TYR 29 6.061 -14.507 0.972
213 HA TYR 29 HA TYR 29 8.496 -16.250 0.923
214 1HB TYR 29 2HB TYR 29 8.077 -13.409 1.063
215 2HB TYR 29 1HB TYR 29 8.873 -13.947 2.540
216 HD1 TYR 29 HD2 TYR 29 10.664 -16.003 1.909
217 HD2 TYR 29 HD1 TYR 29 9.568 -12.657 -0.552
218 HE1 TYR 29 HE2 TYR 29 12.804 -16.211 0.673
219 HE2 TYR 29 HE1 TYR 29 11.708 -12.865 -1.787
220 HH TYR 29 HH TYR 29 14.102 -13.874 -1.158
221 H GLY 30 H GLY 30 5.798 -15.098 2.736
222 1HA GLY 30 2HA GLY 30 5.141 -15.436 4.985
223 2HA GLY 30 1HA GLY 30 5.583 -17.100 4.600
224 H ARG 31 H ARG 31 7.971 -14.523 4.622
225 HA ARG 31 HA ARG 31 8.963 -15.446 7.283
226 1HB ARG 31 2HB ARG 31 10.407 -15.459 4.623
227 2HB ARG 31 1HB ARG 31 11.260 -15.556 6.164
228 1HG ARG 31 2HG ARG 31 10.049 -17.586 6.759
229 2HG ARG 31 1HG ARG 31 9.074 -17.469 5.294
230 1HD ARG 31 2HD ARG 31 10.685 -18.481 4.062
231 2HD ARG 31 1HD ARG 31 11.926 -17.373 4.680
232 HE ARG 31 HE ARG 31 11.012 -19.831 6.126
233 1HH1 ARG 31 1HH2 ARG 31 13.619 -18.275 4.714
234 2HH1 ARG 31 2HH2 ARG 31 14.705 -18.502 6.044
235 1HH2 ARG 31 2HH1 ARG 31 12.260 -19.720 8.179
236 2HH2 ARG 31 1HH1 ARG 31 13.937 -19.319 8.006
237 H LEU 32 H LEU 32 10.229 -13.372 4.645
238 HA LEU 32 HA LEU 32 10.085 -11.043 6.519
239 1HB LEU 32 2HB LEU 32 12.481 -11.685 4.791
240 2HB LEU 32 1HB LEU 32 12.392 -10.571 6.155
241 HG LEU 32 HG LEU 32 12.056 -13.578 6.346
242 1HD1 LEU 32 2HD1 LEU 32 14.396 -12.320 5.874
243 2HD1 LEU 32 1HD1 LEU 32 14.324 -12.143 7.627
244 3HD1 LEU 32 3HD1 LEU 32 14.274 -13.749 6.900
245 1HD2 LEU 32 3HD2 LEU 32 11.157 -11.559 8.045
246 2HD2 LEU 32 2HD2 LEU 32 11.405 -13.247 8.487
247 3HD2 LEU 32 1HD2 LEU 32 12.684 -12.066 8.768
248 H THR 33 H THR 33 10.249 -8.967 5.385
249 HA THR 33 HA THR 33 10.149 -8.868 2.464
250 HB THR 33 HB THR 33 7.663 -7.806 3.640
251 HG1 THR 33 HG1 THR 33 6.772 -9.796 4.046
252 1HG2 THR 33 1HG2 THR 33 8.555 -9.362 1.245
253 2HG2 THR 33 3HG2 THR 33 6.850 -9.410 1.693
254 3HG2 THR 33 2HG2 THR 33 7.621 -7.867 1.325
255 H PHE 34 H PHE 34 11.891 -7.576 4.128
256 HA PHE 34 HA PHE 34 11.500 -4.788 3.506
257 1HB PHE 34 2HB PHE 34 10.882 -3.936 5.638
258 2HB PHE 34 1HB PHE 34 9.847 -5.346 5.419
259 HD1 PHE 34 HD1 PHE 34 11.376 -7.643 6.064
260 HD2 PHE 34 HD2 PHE 34 11.604 -3.737 7.838
261 HE1 PHE 34 HE1 PHE 34 12.302 -8.638 8.135
262 HE2 PHE 34 HE2 PHE 34 12.530 -4.734 9.911
263 HZ PHE 34 HZ PHE 34 12.879 -7.184 10.060
264 H ASN 35 H ASN 35 13.610 -4.124 3.241
265 HA ASN 35 HA ASN 35 15.621 -4.725 5.311
266 1HB ASN 35 2HB ASN 35 15.203 -6.427 3.097
267 2HB ASN 35 1HB ASN 35 16.689 -5.539 2.753
268 1HD2 ASN 35 2HD2 ASN 35 18.511 -7.597 4.937
269 2HD2 ASN 35 1HD2 ASN 35 18.462 -6.703 3.494
270 H LYS 36 H LYS 36 15.536 -3.737 1.839
271 HA LYS 36 HA LYS 36 17.682 -1.848 2.156
272 1HB LYS 36 2HB LYS 36 15.808 -2.788 0.103
273 2HB LYS 36 1HB LYS 36 16.277 -1.101 -0.105
274 1HG LYS 36 2HG LYS 36 18.118 -1.951 -1.120
275 2HG LYS 36 1HG LYS 36 18.680 -2.255 0.524
276 1HD LYS 36 2HD LYS 36 16.942 -4.265 -0.891
277 2HD LYS 36 1HD LYS 36 18.683 -4.235 -1.169
278 1HE LYS 36 2HE LYS 36 17.807 -4.142 1.680
279 2HE LYS 36 1HE LYS 36 17.594 -5.684 0.826
280 1HZ LYS 36 2HZ LYS 36 19.954 -5.138 -0.072
281 2HZ LYS 36 1HZ LYS 36 20.064 -4.161 1.314
282 3HZ LYS 36 3HZ LYS 36 19.785 -5.825 1.473
283 H VAL 37 H VAL 37 14.815 -0.440 0.690
284 HA VAL 37 HA VAL 37 14.179 1.184 3.071
285 HB VAL 37 HB VAL 37 15.846 2.085 0.735
286 1HG1 VAL 37 1HG1 VAL 37 13.927 3.640 0.816
287 2HG1 VAL 37 3HG1 VAL 37 14.213 3.901 2.537
288 3HG1 VAL 37 2HG1 VAL 37 15.409 4.431 1.355
289 1HG2 VAL 37 1HG2 VAL 37 15.993 2.087 3.724
290 2HG2 VAL 37 3HG2 VAL 37 17.233 1.665 2.541
291 3HG2 VAL 37 2HG2 VAL 37 16.841 3.359 2.844
292 H ILE 38 H ILE 38 12.600 2.994 2.417
293 HA ILE 38 HA ILE 38 10.859 2.152 0.123
294 HB ILE 38 HB ILE 38 9.725 1.433 2.071
295 1HG1 ILE 38 2HG1 ILE 38 8.570 4.149 2.256
296 2HG1 ILE 38 1HG1 ILE 38 8.652 3.492 0.621
297 1HG2 ILE 38 2HG2 ILE 38 11.320 2.463 3.671
298 2HG2 ILE 38 1HG2 ILE 38 10.561 4.032 3.398
299 3HG2 ILE 38 3HG2 ILE 38 9.646 2.729 4.155
300 1HD1 ILE 38 2HD1 ILE 38 7.457 2.039 2.997
301 2HD1 ILE 38 1HD1 ILE 38 6.520 2.917 1.787
302 3HD1 ILE 38 3HD1 ILE 38 7.450 1.493 1.319
303 H ARG 39 H ARG 39 11.124 3.821 -1.355
304 HA ARG 39 HA ARG 39 11.063 6.613 -0.266
305 1HB ARG 39 2HB ARG 39 12.848 5.205 -2.030
306 2HB ARG 39 1HB ARG 39 12.113 6.552 -2.901
307 1HG ARG 39 2HG ARG 39 12.915 7.252 -0.168
308 2HG ARG 39 1HG ARG 39 14.270 6.752 -1.180
309 1HD ARG 39 2HD ARG 39 13.512 8.377 -2.932
310 2HD ARG 39 1HD ARG 39 12.259 8.942 -1.809
311 HE ARG 39 HE ARG 39 13.956 10.096 -0.649
312 1HH1 ARG 39 1HH1 ARG 39 17.100 8.332 -0.228
313 2HH1 ARG 39 2HH1 ARG 39 15.635 8.469 0.686
314 1HH2 ARG 39 1HH2 ARG 39 15.680 9.477 -3.178
315 2HH2 ARG 39 2HH2 ARG 39 17.126 8.904 -2.415
316 HA PRO 40 HA PRO 40 8.299 6.853 -4.026
317 1HB PRO 40 2HB PRO 40 8.200 4.841 -5.874
318 2HB PRO 40 1HB PRO 40 9.399 6.144 -5.915
319 1HG PRO 40 2HG PRO 40 9.738 3.326 -5.205
320 2HG PRO 40 1HG PRO 40 10.936 4.511 -5.726
321 1HD PRO 40 2HD PRO 40 10.437 3.598 -3.070
322 2HD PRO 40 1HD PRO 40 11.588 4.839 -3.604
323 H CYS 41 H CYS 41 7.584 5.611 -1.642
324 HA CYS 41 HA CYS 41 5.644 3.457 -2.261
325 1HB CYS 41 2HB CYS 41 5.293 3.589 0.229
326 2HB CYS 41 1HB CYS 41 6.975 3.319 -0.225
327 HG CYS 41 HG CYS 41 6.356 5.437 1.550
328 H MET 42 H MET 42 3.991 4.439 -3.475
329 HA MET 42 HA MET 42 2.739 6.942 -2.470
330 1HB MET 42 2HB MET 42 3.043 5.454 -4.992
331 2HB MET 42 1HB MET 42 1.433 6.140 -4.767
332 1HG MET 42 2HG MET 42 2.957 7.724 -5.917
333 2HG MET 42 1HG MET 42 2.407 8.355 -4.366
334 1HE MET 42 2HE MET 42 4.793 9.400 -6.034
335 2HE MET 42 1HE MET 42 6.405 8.801 -5.648
336 3HE MET 42 3HE MET 42 5.304 7.822 -6.627
337 H LYS 43 H LYS 43 0.194 6.829 -2.983
338 HA LYS 43 HA LYS 43 -1.096 4.281 -2.294
339 1HB LYS 43 2HB LYS 43 -0.440 4.842 -0.098
340 2HB LYS 43 1HB LYS 43 -0.707 6.563 -0.357
341 1HG LYS 43 2HG LYS 43 -3.015 4.647 -0.559
342 2HG LYS 43 1HG LYS 43 -2.461 5.185 1.027
343 1HD LYS 43 2HD LYS 43 -2.561 7.511 -0.555
344 2HD LYS 43 1HD LYS 43 -4.038 6.623 -0.933
345 1HE LYS 43 2HE LYS 43 -4.838 6.754 1.252
346 2HE LYS 43 1HE LYS 43 -3.211 6.911 1.945
347 1HZ LYS 43 2HZ LYS 43 -4.534 8.932 0.212
348 2HZ LYS 43 1HZ LYS 43 -4.395 9.046 1.901
349 3HZ LYS 43 3HZ LYS 43 -3.003 9.078 0.933
350 H LYS 44 H LYS 44 -3.455 4.476 -2.492
351 HA LYS 44 HA LYS 44 -4.701 7.038 -3.023
352 1HB LYS 44 2HB LYS 44 -4.866 6.913 -5.400
353 2HB LYS 44 1HB LYS 44 -3.187 6.510 -5.039
354 1HG LYS 44 2HG LYS 44 -3.924 4.062 -5.036
355 2HG LYS 44 1HG LYS 44 -5.438 4.621 -5.747
356 1HD LYS 44 2HD LYS 44 -3.243 5.837 -7.148
357 2HD LYS 44 1HD LYS 44 -2.992 4.092 -7.087
358 1HE LYS 44 2HE LYS 44 -5.744 4.456 -7.648
359 2HE LYS 44 1HE LYS 44 -4.863 5.570 -8.712
360 1HZ LYS 44 1HZ LYS 44 -4.154 2.713 -8.297
361 2HZ LYS 44 3HZ LYS 44 -5.008 3.304 -9.637
362 3HZ LYS 44 2HZ LYS 44 -3.404 3.794 -9.371
363 H THR 45 H THR 45 -6.813 6.750 -2.480
364 HA THR 45 HA THR 45 -7.967 3.991 -2.696
365 HB THR 45 HB THR 45 -8.461 6.337 -0.841
366 HG1 THR 45 HG1 THR 45 -7.311 3.793 -0.691
367 1HG2 THR 45 2HG2 THR 45 -10.516 4.814 -1.679
368 2HG2 THR 45 1HG2 THR 45 -9.873 3.736 -0.443
369 3HG2 THR 45 3HG2 THR 45 -10.384 5.366 -0.014
370 H ILE 46 H ILE 46 -10.133 3.813 -3.480
371 HA ILE 46 HA ILE 46 -11.173 6.247 -4.883
372 HB ILE 46 HB ILE 46 -10.639 3.434 -5.729
373 1HG1 ILE 46 2HG1 ILE 46 -10.750 6.083 -7.198
374 2HG1 ILE 46 1HG1 ILE 46 -9.294 5.342 -6.531
375 1HG2 ILE 46 1HG2 ILE 46 -13.145 4.946 -6.395
376 2HG2 ILE 46 3HG2 ILE 46 -12.390 3.950 -7.640
377 3HG2 ILE 46 2HG2 ILE 46 -12.925 3.217 -6.129
378 1HD1 ILE 46 3HD1 ILE 46 -10.952 3.665 -8.350
379 2HD1 ILE 46 2HD1 ILE 46 -10.035 4.979 -9.087
380 3HD1 ILE 46 1HD1 ILE 46 -9.199 3.729 -8.166
381 H TYR 47 H TYR 47 -13.190 6.771 -4.122
382 HA TYR 47 HA TYR 47 -14.967 4.599 -3.160
383 1HB TYR 47 2HB TYR 47 -15.304 6.033 -1.053
384 2HB TYR 47 1HB TYR 47 -13.777 5.162 -1.175
385 HD1 TYR 47 HD1 TYR 47 -15.370 8.469 -1.850
386 HD2 TYR 47 HD2 TYR 47 -11.718 6.322 -1.155
387 HE1 TYR 47 HE1 TYR 47 -14.139 10.616 -1.706
388 HE2 TYR 47 HE2 TYR 47 -10.485 8.468 -1.010
389 HH TYR 47 HH TYR 47 -10.873 10.786 -0.587
390 H GLU 48 H GLU 48 -17.210 5.430 -2.800
391 HA GLU 48 HA GLU 48 -18.018 7.286 -4.871
392 1HB GLU 48 2HB GLU 48 -19.199 5.263 -3.619
393 2HB GLU 48 1HB GLU 48 -19.749 6.538 -2.535
394 1HG GLU 48 2HG GLU 48 -21.381 6.161 -4.346
395 2HG GLU 48 1HG GLU 48 -20.681 7.777 -4.456
396 H ASN 49 H ASN 49 -20.025 8.344 -2.582
397 HA ASN 49 HA ASN 49 -18.675 10.035 -0.797
398 1HB ASN 49 2HB ASN 49 -18.221 10.704 -3.563
399 2HB ASN 49 1HB ASN 49 -19.092 12.024 -2.782
400 1HD2 ASN 49 2HD2 ASN 49 -16.424 12.423 -0.271
401 2HD2 ASN 49 1HD2 ASN 49 -18.112 12.250 -0.290
402 H GLU 50 H GLU 50 -21.371 9.510 -2.931
403 HA GLU 50 HA GLU 50 -23.047 11.277 -1.177
404 1HB GLU 50 2HB GLU 50 -22.954 10.813 -4.156
405 2HB GLU 50 1HB GLU 50 -24.438 11.384 -3.390
406 1HG GLU 50 2HG GLU 50 -22.340 12.942 -2.305
407 2HG GLU 50 1HG GLU 50 -22.060 12.878 -4.045
408 H ARG 51 H ARG 51 -22.344 8.259 -1.264
409 HA ARG 51 HA ARG 51 -25.023 7.319 -0.628
410 1HB ARG 51 2HB ARG 51 -23.958 7.162 -3.335
411 2HB ARG 51 1HB ARG 51 -24.358 5.563 -2.707
412 1HG ARG 51 2HG ARG 51 -26.592 5.993 -2.687
413 2HG ARG 51 1HG ARG 51 -26.366 7.649 -2.124
414 1HD ARG 51 2HD ARG 51 -26.369 8.494 -4.247
415 2HD ARG 51 1HD ARG 51 -25.407 7.144 -4.882
416 HE ARG 51 HE ARG 51 -28.033 6.238 -4.098
417 1HH1 ARG 51 1HH2 ARG 51 -26.593 5.388 -6.591
418 2HH1 ARG 51 2HH2 ARG 51 -27.555 6.122 -7.830
419 1HH2 ARG 51 2HH1 ARG 51 -29.154 8.307 -5.663
420 2HH2 ARG 51 1HH1 ARG 51 -29.005 7.775 -7.304
421 H GLU 52 H GLU 52 -21.609 6.529 -1.343
422 HA GLU 52 HA GLU 52 -21.506 4.774 0.997
423 1HB GLU 52 2HB GLU 52 -21.173 2.697 -0.384
424 2HB GLU 52 1HB GLU 52 -22.794 3.383 -0.514
425 1HG GLU 52 2HG GLU 52 -22.292 4.400 -2.628
426 2HG GLU 52 1HG GLU 52 -20.572 4.044 -2.460
427 H ILE 53 H ILE 53 -19.483 3.080 0.250
428 HA ILE 53 HA ILE 53 -17.195 4.865 -0.530
429 HB ILE 53 HB ILE 53 -17.554 4.219 1.929
430 1HG1 ILE 53 2HG1 ILE 53 -15.121 3.588 2.213
431 2HG1 ILE 53 1HG1 ILE 53 -15.014 3.487 0.454
432 1HG2 ILE 53 3HG2 ILE 53 -17.667 1.621 0.719
433 2HG2 ILE 53 2HG2 ILE 53 -16.280 1.684 1.804
434 3HG2 ILE 53 1HG2 ILE 53 -17.890 2.057 2.411
435 1HD1 ILE 53 1HD1 ILE 53 -16.157 5.899 0.634
436 2HD1 ILE 53 3HD1 ILE 53 -15.353 5.882 2.204
437 3HD1 ILE 53 2HD1 ILE 53 -14.407 5.694 0.727
438 H LYS 54 H LYS 54 -15.435 3.645 -1.684
439 HA LYS 54 HA LYS 54 -16.556 1.176 -2.961
440 1HB LYS 54 2HB LYS 54 -16.036 3.491 -4.160
441 2HB LYS 54 1HB LYS 54 -14.426 2.782 -4.270
442 1HG LYS 54 2HG LYS 54 -15.075 1.324 -5.862
443 2HG LYS 54 1HG LYS 54 -16.504 0.855 -4.940
444 1HD LYS 54 2HD LYS 54 -16.631 3.564 -6.107
445 2HD LYS 54 1HD LYS 54 -16.590 2.254 -7.288
446 1HE LYS 54 2HE LYS 54 -18.423 1.152 -5.781
447 2HE LYS 54 1HE LYS 54 -18.645 2.796 -5.151
448 1HZ LYS 54 2HZ LYS 54 -18.528 3.407 -7.664
449 2HZ LYS 54 1HZ LYS 54 -19.011 1.795 -7.890
450 3HZ LYS 54 3HZ LYS 54 -19.989 2.854 -6.996
451 H GLY 55 H GLY 55 -13.170 2.545 -2.537
452 1HA GLY 55 2HA GLY 55 -12.378 0.103 -1.169
453 2HA GLY 55 1HA GLY 55 -11.932 0.043 -2.865
454 H TYR 56 H TYR 56 -10.004 -0.098 -0.964
455 HA TYR 56 HA TYR 56 -8.621 2.555 -1.169
456 1HB TYR 56 2HB TYR 56 -9.525 1.760 1.110
457 2HB TYR 56 1HB TYR 56 -8.299 0.496 1.029
458 HD1 TYR 56 HD1 TYR 56 -5.893 1.538 0.146
459 HD2 TYR 56 HD2 TYR 56 -8.926 3.602 2.382
460 HE1 TYR 56 HE1 TYR 56 -4.191 3.139 0.979
461 HE2 TYR 56 HE2 TYR 56 -7.225 5.202 3.214
462 HH TYR 56 HH TYR 56 -4.834 5.335 3.540
463 H GLU 57 H GLU 57 -7.241 2.054 -2.918
464 HA GLU 57 HA GLU 57 -5.686 -0.499 -2.783
465 1HB GLU 57 2HB GLU 57 -5.288 -0.052 -5.160
466 2HB GLU 57 1HB GLU 57 -7.013 0.106 -4.823
467 1HG GLU 57 2HG GLU 57 -6.850 2.514 -4.751
468 2HG GLU 57 1HG GLU 57 -5.090 2.446 -4.842
469 H TYR 58 H TYR 58 -3.337 -0.377 -2.950
470 HA TYR 58 HA TYR 58 -2.194 2.373 -2.683
471 1HB TYR 58 2HB TYR 58 -1.761 2.083 -0.498
472 2HB TYR 58 1HB TYR 58 -2.716 0.611 -0.564
473 HD1 TYR 58 HD2 TYR 58 -1.161 -1.380 -1.895
474 HD2 TYR 58 HD1 TYR 58 0.248 1.792 0.627
475 HE1 TYR 58 HE2 TYR 58 0.821 -2.722 -1.300
476 HE2 TYR 58 HE1 TYR 58 2.228 0.448 1.219
477 HH TYR 58 HH TYR 58 3.116 -1.640 1.151
478 H GLN 59 H GLN 59 0.041 2.532 -3.128
479 HA GLN 59 HA GLN 59 1.269 0.165 -4.499
480 1HB GLN 59 2HB GLN 59 2.292 2.017 -5.978
481 2HB GLN 59 1HB GLN 59 0.569 1.712 -6.197
482 1HG GLN 59 2HG GLN 59 0.031 3.585 -4.696
483 2HG GLN 59 1HG GLN 59 1.751 3.884 -4.441
484 1HE2 GLN 59 2HE2 GLN 59 2.105 4.846 -8.026
485 2HE2 GLN 59 1HE2 GLN 59 2.798 3.671 -7.016
486 H LEU 60 H LEU 60 3.195 -0.344 -3.502
487 HA LEU 60 HA LEU 60 4.575 1.807 -1.937
488 1HB LEU 60 2HB LEU 60 3.484 0.130 -0.540
489 2HB LEU 60 1HB LEU 60 4.249 -1.172 -1.442
490 HG LEU 60 HG LEU 60 6.411 0.367 -0.689
491 1HD1 LEU 60 1HD1 LEU 60 4.235 0.530 1.398
492 2HD1 LEU 60 3HD1 LEU 60 5.936 0.553 1.861
493 3HD1 LEU 60 2HD1 LEU 60 5.292 1.813 0.811
494 1HD2 LEU 60 2HD2 LEU 60 5.120 -2.154 0.158
495 2HD2 LEU 60 1HD2 LEU 60 6.794 -1.847 -0.297
496 3HD2 LEU 60 3HD2 LEU 60 6.241 -1.474 1.335
497 H TYR 61 H TYR 61 5.541 2.021 -4.244
498 HA TYR 61 HA TYR 61 7.302 -0.025 -5.243
499 1HB TYR 61 2HB TYR 61 6.225 1.872 -6.476
500 2HB TYR 61 1HB TYR 61 7.318 2.973 -5.638
501 HD1 TYR 61 HD1 TYR 61 7.779 -0.403 -7.203
502 HD2 TYR 61 HD2 TYR 61 8.993 3.715 -7.098
503 HE1 TYR 61 HE1 TYR 61 9.536 -0.876 -8.888
504 HE2 TYR 61 HE2 TYR 61 10.749 3.242 -8.782
505 HH TYR 61 HH TYR 61 11.514 -0.021 -9.757
506 H VAL 62 H VAL 62 9.001 -0.709 -3.975
507 HA VAL 62 HA VAL 62 10.995 1.275 -3.072
508 HB VAL 62 HB VAL 62 10.775 0.497 -0.708
509 1HG1 VAL 62 3HG1 VAL 62 9.524 2.517 -1.647
510 2HG1 VAL 62 2HG1 VAL 62 8.103 1.477 -1.732
511 3HG1 VAL 62 1HG1 VAL 62 8.855 1.816 -0.174
512 1HG2 VAL 62 1HG2 VAL 62 8.626 -1.157 -1.989
513 2HG2 VAL 62 3HG2 VAL 62 9.808 -1.618 -0.763
514 3HG2 VAL 62 2HG2 VAL 62 8.417 -0.629 -0.319
515 H TYR 63 H TYR 63 12.344 -0.401 -1.314
516 HA TYR 63 HA TYR 63 12.787 -2.944 -2.794
517 1HB TYR 63 2HB TYR 63 14.289 -1.211 -3.719
518 2HB TYR 63 1HB TYR 63 14.918 -0.905 -2.100
519 HD1 TYR 63 HD2 TYR 63 13.994 -4.345 -2.817
520 HD2 TYR 63 HD1 TYR 63 17.182 -1.477 -3.060
521 HE1 TYR 63 HE2 TYR 63 15.631 -6.186 -3.101
522 HE2 TYR 63 HE1 TYR 63 18.819 -3.318 -3.348
523 HH TYR 63 HH TYR 63 18.561 -5.871 -4.305
524 H ALA 64 H ALA 64 12.927 -4.573 -1.336
525 HA ALA 64 HA ALA 64 13.771 -3.898 1.453
526 1HB ALA 64 3HB ALA 64 11.821 -5.947 0.373
527 2HB ALA 64 2HB ALA 64 12.204 -5.722 2.077
528 3HB ALA 64 1HB ALA 64 11.391 -4.439 1.179
529 H SER 65 H SER 65 13.432 -7.050 1.630
530 HA SER 65 HA SER 65 16.277 -7.620 1.108
531 1HB SER 65 2HB SER 65 15.755 -9.673 2.309
532 2HB SER 65 1HB SER 65 14.976 -8.335 3.149
533 HG SER 65 HG SER 65 13.889 -10.461 1.785
534 H ASP 66 H ASP 66 13.148 -8.197 -0.331
535 HA ASP 66 HA ASP 66 14.437 -9.420 -2.700
536 1HB ASP 66 2HB ASP 66 13.128 -10.887 -0.602
537 2HB ASP 66 1HB ASP 66 12.164 -11.021 -2.074
538 H LYS 67 H LYS 67 12.653 -7.040 -1.703
539 HA LYS 67 HA LYS 67 10.412 -7.338 -3.683
540 1HB LYS 67 2HB LYS 67 9.628 -6.934 -1.481
541 2HB LYS 67 1HB LYS 67 10.876 -5.726 -1.183
542 1HG LYS 67 2HG LYS 67 9.478 -4.845 -3.474
543 2HG LYS 67 1HG LYS 67 8.254 -5.356 -2.316
544 1HD LYS 67 2HD LYS 67 10.517 -3.415 -1.782
545 2HD LYS 67 1HD LYS 67 8.807 -3.009 -1.928
546 1HE LYS 67 2HE LYS 67 9.896 -4.925 0.164
547 2HE LYS 67 1HE LYS 67 9.573 -3.208 0.467
548 1HZ LYS 67 3HZ LYS 67 7.304 -3.631 -0.483
549 2HZ LYS 67 2HZ LYS 67 7.649 -5.293 -0.401
550 3HZ LYS 67 1HZ LYS 67 7.597 -4.361 1.019
551 H LEU 68 H LEU 68 12.197 -6.800 -5.291
552 HA LEU 68 HA LEU 68 13.194 -4.021 -5.319
553 1HB LEU 68 2HB LEU 68 13.749 -6.576 -6.561
554 2HB LEU 68 1HB LEU 68 13.594 -5.325 -7.795
555 HG LEU 68 HG LEU 68 15.366 -5.143 -5.342
556 1HD1 LEU 68 1HD1 LEU 68 15.860 -5.898 -8.212
557 2HD1 LEU 68 3HD1 LEU 68 17.136 -5.127 -7.268
558 3HD1 LEU 68 2HD1 LEU 68 16.460 -6.669 -6.745
559 1HD2 LEU 68 2HD2 LEU 68 15.054 -3.327 -7.755
560 2HD2 LEU 68 1HD2 LEU 68 14.513 -2.960 -6.117
561 3HD2 LEU 68 3HD2 LEU 68 16.236 -3.114 -6.463
562 H PHE 69 H PHE 69 10.666 -3.445 -5.256
563 HA PHE 69 HA PHE 69 9.982 -2.294 -7.751
564 1HB PHE 69 2HB PHE 69 8.071 -4.017 -8.215
565 2HB PHE 69 1HB PHE 69 9.698 -4.407 -8.708
566 HD1 PHE 69 HD1 PHE 69 8.277 -4.491 -5.241
567 HD2 PHE 69 HD2 PHE 69 9.767 -6.747 -8.580
568 HE1 PHE 69 HE1 PHE 69 8.226 -6.552 -3.871
569 HE2 PHE 69 HE2 PHE 69 9.719 -8.809 -7.205
570 HZ PHE 69 HZ PHE 69 8.948 -8.711 -4.851
571 H ARG 70 H ARG 70 7.051 -3.602 -6.828
572 HA ARG 70 HA ARG 70 6.656 -1.595 -4.643
573 1HB ARG 70 2HB ARG 70 5.975 -0.561 -6.727
574 2HB ARG 70 1HB ARG 70 5.055 -1.995 -7.181
575 1HG ARG 70 2HG ARG 70 3.594 -1.636 -5.148
576 2HG ARG 70 1HG ARG 70 4.447 -0.120 -4.863
577 1HD ARG 70 2HD ARG 70 2.238 0.012 -6.207
578 2HD ARG 70 1HD ARG 70 3.645 0.839 -6.902
579 HE ARG 70 HE ARG 70 3.959 -1.093 -8.399
580 1HH1 ARG 70 2HH1 ARG 70 2.718 -3.330 -7.073
581 2HH1 ARG 70 1HH1 ARG 70 1.154 -3.450 -7.808
582 1HH2 ARG 70 1HH2 ARG 70 1.232 -0.238 -9.115
583 2HH2 ARG 70 2HH2 ARG 70 0.313 -1.699 -8.965
584 H ALA 71 H ALA 71 5.652 -2.520 -2.943
585 HA ALA 71 HA ALA 71 4.288 -5.117 -3.240
586 1HB ALA 71 2HB ALA 71 5.499 -3.474 -1.169
587 2HB ALA 71 1HB ALA 71 3.878 -3.966 -0.679
588 3HB ALA 71 3HB ALA 71 5.079 -5.186 -1.102
589 H ASP 72 H ASP 72 2.226 -4.917 -4.166
590 HA ASP 72 HA ASP 72 0.707 -2.413 -3.750
591 1HB ASP 72 2HB ASP 72 1.095 -3.981 -5.879
592 2HB ASP 72 1HB ASP 72 -0.343 -4.779 -5.242
593 H ILE 73 H ILE 73 -1.636 -2.594 -3.201
594 HA ILE 73 HA ILE 73 -2.569 -4.954 -1.758
595 HB ILE 73 HB ILE 73 -0.941 -3.292 -0.351
596 1HG1 ILE 73 2HG1 ILE 73 -1.952 -5.503 0.307
597 2HG1 ILE 73 1HG1 ILE 73 -1.839 -4.341 1.629
598 1HG2 ILE 73 2HG2 ILE 73 -2.636 -1.416 -0.642
599 2HG2 ILE 73 1HG2 ILE 73 -3.732 -2.360 0.364
600 3HG2 ILE 73 3HG2 ILE 73 -2.205 -1.782 1.027
601 1HD1 ILE 73 1HD1 ILE 73 -4.334 -4.530 -0.050
602 2HD1 ILE 73 3HD1 ILE 73 -4.080 -5.613 1.319
603 3HD1 ILE 73 2HD1 ILE 73 -4.147 -3.869 1.574
604 H SER 74 H SER 74 -4.691 -5.014 -2.414
605 HA SER 74 HA SER 74 -6.115 -2.385 -2.683
606 1HB SER 74 2HB SER 74 -5.493 -4.442 -4.571
607 2HB SER 74 1HB SER 74 -7.240 -4.432 -4.346
608 HG SER 74 HG SER 74 -7.113 -2.800 -5.682
609 H GLU 75 H GLU 75 -8.208 -2.312 -1.814
610 HA GLU 75 HA GLU 75 -9.554 -4.807 -0.938
611 1HB GLU 75 2HB GLU 75 -8.245 -2.755 0.818
612 2HB GLU 75 1HB GLU 75 -9.741 -3.501 1.380
613 1HG GLU 75 2HG GLU 75 -8.761 -5.731 1.105
614 2HG GLU 75 1HG GLU 75 -7.273 -5.016 0.484
615 H ASP 76 H ASP 76 -11.751 -4.539 -1.200
616 HA ASP 76 HA ASP 76 -12.870 -2.186 -2.349
617 1HB ASP 76 2HB ASP 76 -13.664 -4.780 -1.427
618 2HB ASP 76 1HB ASP 76 -14.864 -3.599 -0.899
619 H TYR 77 H TYR 77 -15.221 -1.786 -0.660
620 HA TYR 77 HA TYR 77 -14.254 -0.774 1.931
621 1HB TYR 77 2HB TYR 77 -13.789 0.774 -0.246
622 2HB TYR 77 1HB TYR 77 -15.403 1.331 0.182
623 HD1 TYR 77 HD1 TYR 77 -15.000 0.629 3.215
624 HD2 TYR 77 HD2 TYR 77 -12.737 2.909 0.364
625 HE1 TYR 77 HE1 TYR 77 -14.041 1.982 5.060
626 HE2 TYR 77 HE2 TYR 77 -11.777 4.263 2.210
627 HH TYR 77 HH TYR 77 -13.033 4.214 5.368
628 H LYS 78 H LYS 78 -16.904 -0.425 -0.477
629 HA LYS 78 HA LYS 78 -18.997 0.293 1.270
630 1HB LYS 78 2HB LYS 78 -20.429 -0.501 -0.499
631 2HB LYS 78 1HB LYS 78 -18.957 0.069 -1.283
632 1HG LYS 78 2HG LYS 78 -18.092 -2.260 -1.307
633 2HG LYS 78 1HG LYS 78 -19.611 -2.810 -0.597
634 1HD LYS 78 2HD LYS 78 -20.748 -2.608 -2.558
635 2HD LYS 78 1HD LYS 78 -19.914 -1.117 -2.999
636 1HE LYS 78 2HE LYS 78 -19.371 -3.075 -4.511
637 2HE LYS 78 1HE LYS 78 -17.945 -2.380 -3.716
638 1HZ LYS 78 2HZ LYS 78 -19.403 -4.393 -2.208
639 2HZ LYS 78 1HZ LYS 78 -18.562 -4.963 -3.569
640 3HZ LYS 78 3HZ LYS 78 -17.728 -4.140 -2.343
641 H THR 79 H THR 79 -17.719 -2.870 0.422
642 HA THR 79 HA THR 79 -18.940 -4.018 2.896
643 HB THR 79 HB THR 79 -20.211 -4.511 0.726
644 HG1 THR 79 HG1 THR 79 -20.609 -5.995 2.208
645 1HG2 THR 79 1HG2 THR 79 -17.990 -4.686 -0.565
646 2HG2 THR 79 3HG2 THR 79 -17.865 -6.308 0.117
647 3HG2 THR 79 2HG2 THR 79 -19.225 -5.893 -0.927
648 H ARG 80 H ARG 80 -16.222 -3.064 1.585
649 HA ARG 80 HA ARG 80 -13.973 -3.680 1.888
650 1HB ARG 80 2HB ARG 80 -15.049 -6.096 3.365
651 2HB ARG 80 1HB ARG 80 -13.534 -5.240 3.643
652 1HG ARG 80 2HG ARG 80 -16.338 -4.301 4.276
653 2HG ARG 80 1HG ARG 80 -14.994 -4.534 5.394
654 1HD ARG 80 2HD ARG 80 -15.262 -2.384 3.267
655 2HD ARG 80 1HD ARG 80 -15.124 -2.162 5.023
656 HE ARG 80 HE ARG 80 -12.923 -3.443 3.449
657 1HH1 ARG 80 2HH1 ARG 80 -13.784 -0.443 4.579
658 2HH1 ARG 80 1HH1 ARG 80 -12.398 -0.210 5.590
659 1HH2 ARG 80 1HH2 ARG 80 -11.275 -3.475 5.258
660 2HH2 ARG 80 2HH2 ARG 80 -10.977 -1.927 5.975
661 H GLY 81 H GLY 81 -16.041 -4.955 -0.076
662 1HA GLY 81 2HA GLY 81 -16.124 -7.014 -1.399
663 2HA GLY 81 1HA GLY 81 -14.923 -5.966 -2.137
664 H ARG 82 H ARG 82 -12.598 -6.330 -1.373
665 HA ARG 82 HA ARG 82 -12.126 -9.051 -0.276
666 1HB ARG 82 2HB ARG 82 -12.057 -8.220 -3.082
667 2HB ARG 82 1HB ARG 82 -10.562 -8.997 -2.560
668 1HG ARG 82 2HG ARG 82 -12.813 -10.436 -1.485
669 2HG ARG 82 1HG ARG 82 -13.007 -10.256 -3.229
670 1HD ARG 82 2HD ARG 82 -11.568 -12.006 -3.435
671 2HD ARG 82 1HD ARG 82 -10.294 -10.896 -2.892
672 HE ARG 82 HE ARG 82 -10.543 -11.750 -0.655
673 1HH1 ARG 82 2HH1 ARG 82 -13.624 -12.110 -1.208
674 2HH1 ARG 82 1HH1 ARG 82 -13.762 -13.815 -0.930
675 1HH2 ARG 82 1HH2 ARG 82 -10.340 -14.375 -1.027
676 2HH2 ARG 82 2HH2 ARG 82 -11.902 -15.096 -0.827
677 H LYS 83 H LYS 83 -9.552 -9.404 -0.726
678 HA LYS 83 HA LYS 83 -8.037 -6.908 -0.148
679 1HB LYS 83 2HB LYS 83 -7.772 -9.411 1.534
680 2HB LYS 83 1HB LYS 83 -7.190 -7.788 1.903
681 1HG LYS 83 2HG LYS 83 -9.104 -7.818 3.202
682 2HG LYS 83 1HG LYS 83 -9.776 -7.194 1.695
683 1HD LYS 83 2HD LYS 83 -11.087 -9.009 1.461
684 2HD LYS 83 1HD LYS 83 -9.700 -10.086 1.634
685 1HE LYS 83 2HE LYS 83 -10.725 -10.721 3.580
686 2HE LYS 83 1HE LYS 83 -10.068 -9.203 4.226
687 1HZ LYS 83 2HZ LYS 83 -12.075 -8.086 3.296
688 2HZ LYS 83 1HZ LYS 83 -12.724 -9.621 2.966
689 3HZ LYS 83 3HZ LYS 83 -12.411 -9.161 4.568
690 H LEU 84 H LEU 84 -5.860 -7.084 -0.902
691 HA LEU 84 HA LEU 84 -4.643 -9.623 -1.604
692 1HB LEU 84 2HB LEU 84 -6.471 -9.400 -3.295
693 2HB LEU 84 1HB LEU 84 -5.765 -7.870 -3.817
694 HG LEU 84 HG LEU 84 -3.665 -9.779 -3.791
695 1HD1 LEU 84 2HD1 LEU 84 -6.042 -11.156 -4.063
696 2HD1 LEU 84 1HD1 LEU 84 -5.583 -10.855 -5.740
697 3HD1 LEU 84 3HD1 LEU 84 -4.478 -11.709 -4.664
698 1HD2 LEU 84 3HD2 LEU 84 -5.109 -8.031 -5.693
699 2HD2 LEU 84 2HD2 LEU 84 -3.375 -8.236 -5.448
700 3HD2 LEU 84 1HD2 LEU 84 -4.270 -9.397 -6.427
701 H LEU 85 H LEU 85 -2.463 -9.262 -2.465
702 HA LEU 85 HA LEU 85 -1.616 -6.419 -2.673
703 1HB LEU 85 2HB LEU 85 -0.447 -6.485 -0.723
704 2HB LEU 85 1HB LEU 85 -1.401 -7.913 -0.350
705 HG LEU 85 HG LEU 85 1.200 -8.083 -1.885
706 1HD1 LEU 85 3HD1 LEU 85 0.985 -7.150 0.707
707 2HD1 LEU 85 2HD1 LEU 85 1.244 -8.878 0.932
708 3HD1 LEU 85 1HD1 LEU 85 2.410 -7.926 0.018
709 1HD2 LEU 85 1HD2 LEU 85 -0.852 -9.930 -0.929
710 2HD2 LEU 85 3HD2 LEU 85 0.472 -10.223 -2.056
711 3HD2 LEU 85 2HD2 LEU 85 0.746 -10.358 -0.320
712 H ARG 86 H ARG 86 0.686 -6.301 -3.565
713 HA ARG 86 HA ARG 86 1.368 -8.726 -5.188
714 1HB ARG 86 2HB ARG 86 1.151 -5.837 -6.087
715 2HB ARG 86 1HB ARG 86 1.739 -7.159 -7.095
716 1HG ARG 86 2HG ARG 86 -0.845 -7.714 -5.808
717 2HG ARG 86 1HG ARG 86 -0.887 -6.358 -6.934
718 1HD ARG 86 2HD ARG 86 -0.185 -7.696 -8.760
719 2HD ARG 86 1HD ARG 86 0.411 -8.984 -7.693
720 HE ARG 86 HE ARG 86 -2.382 -8.539 -7.199
721 1HH1 ARG 86 1HH2 ARG 86 -1.635 -11.272 -7.307
722 2HH1 ARG 86 2HH2 ARG 86 -2.109 -11.813 -8.883
723 1HH2 ARG 86 2HH1 ARG 86 -2.373 -8.612 -10.191
724 2HH2 ARG 86 1HH1 ARG 86 -2.527 -10.306 -10.516
725 H PHE 87 H PHE 87 3.547 -7.996 -6.453
726 HA PHE 87 HA PHE 87 5.453 -6.467 -4.785
727 1HB PHE 87 2HB PHE 87 5.893 -9.420 -5.324
728 2HB PHE 87 1HB PHE 87 6.818 -8.373 -4.251
729 HD1 PHE 87 HD1 PHE 87 3.684 -10.250 -4.690
730 HD2 PHE 87 HD2 PHE 87 5.947 -7.724 -2.051
731 HE1 PHE 87 HE1 PHE 87 2.163 -10.834 -2.824
732 HE2 PHE 87 HE2 PHE 87 4.420 -8.316 -0.183
733 HZ PHE 87 HZ PHE 87 2.534 -9.863 -0.581
734 H ASN 88 H ASN 88 4.879 -5.641 -7.276
735 HA ASN 88 HA ASN 88 7.264 -6.476 -8.824
736 1HB ASN 88 2HB ASN 88 4.607 -6.471 -10.198
737 2HB ASN 88 1HB ASN 88 6.107 -7.260 -10.680
738 1HD2 ASN 88 2HD2 ASN 88 3.490 -9.240 -8.302
739 2HD2 ASN 88 1HD2 ASN 88 3.149 -7.689 -8.904
740 H GLY 89 H GLY 89 6.409 -5.304 -11.265
741 1HA GLY 89 2HA GLY 89 6.316 -3.193 -12.315
742 2HA GLY 89 1HA GLY 89 5.575 -2.553 -10.833
743 HA PRO 90 HA PRO 90 10.096 -2.827 -9.531
744 1HB PRO 90 2HB PRO 90 11.912 -4.033 -11.192
745 2HB PRO 90 1HB PRO 90 10.968 -4.911 -9.972
746 1HG PRO 90 2HG PRO 90 10.489 -4.647 -12.903
747 2HG PRO 90 1HG PRO 90 10.325 -6.069 -11.857
748 1HD PRO 90 2HD PRO 90 8.198 -4.608 -12.663
749 2HD PRO 90 1HD PRO 90 8.255 -5.438 -11.092
750 H VAL 91 HN VAL 91 12.470 -2.149 -10.614
751 HA VAL 91 HA VAL 91 12.036 0.447 -11.771
752 HB VAL 91 HB VAL 91 14.562 0.324 -11.850
753 1HG1 VAL 91 2HG1 VAL 91 13.235 -0.616 -9.292
754 2HG1 VAL 91 1HG1 VAL 91 14.822 0.148 -9.400
755 3HG1 VAL 91 3HG1 VAL 91 13.372 1.062 -9.820
756 1HG2 VAL 91 1HG2 VAL 91 13.986 -2.461 -11.822
757 2HG2 VAL 91 3HG2 VAL 91 15.570 -1.689 -11.865
758 3HG2 VAL 91 2HG2 VAL 91 14.824 -2.086 -10.317
No H/Q in entry = 758
Start of MODEL 21
1 1H GLY 1 3H GLY 1 -12.354 9.075 -8.096
2 2H GLY 1 2H GLY 1 -12.929 7.556 -8.591
3 3H GLY 1 1H GLY 1 -12.997 7.999 -6.953
4 1HA GLY 1 2HA GLY 1 -11.128 6.778 -6.807
5 2HA GLY 1 1HA GLY 1 -10.765 6.994 -8.519
6 H GLU 2 H GLU 2 -9.383 7.594 -5.722
7 HA GLU 2 HA GLU 2 -8.219 10.192 -6.650
8 1HB GLU 2 2HB GLU 2 -8.845 9.499 -3.770
9 2HB GLU 2 1HB GLU 2 -8.427 11.080 -4.434
10 1HG GLU 2 2HG GLU 2 -10.917 9.532 -5.202
11 2HG GLU 2 1HG GLU 2 -10.885 10.794 -3.970
12 H TRP 3 H TRP 3 -5.988 10.453 -6.069
13 HA TRP 3 HA TRP 3 -4.676 7.994 -4.954
14 1HB TRP 3 2HB TRP 3 -2.811 8.646 -6.563
15 2HB TRP 3 1HB TRP 3 -4.307 8.113 -7.331
16 HD1 TRP 3 HD1 TRP 3 -2.848 11.488 -6.097
17 HE1 TRP 3 HE1 TRP 3 -3.438 13.294 -7.840
18 HE3 TRP 3 HE3 TRP 3 -5.494 8.666 -9.431
19 HZ2 TRP 3 HZ2 TRP 3 -4.845 13.512 -10.319
20 HZ3 TRP 3 HZ3 TRP 3 -6.447 9.697 -11.473
21 HH2 TRP 3 HH2 TRP 3 -6.127 12.114 -11.921
22 H GLU 4 H GLU 4 -2.680 8.424 -3.766
23 HA GLU 4 HA GLU 4 -1.833 11.167 -3.216
24 1HB GLU 4 2HB GLU 4 -2.695 11.315 -0.985
25 2HB GLU 4 1HB GLU 4 -4.043 10.771 -1.982
26 1HG GLU 4 2HG GLU 4 -3.122 8.370 -1.355
27 2HG GLU 4 1HG GLU 4 -2.424 9.234 0.016
28 H ILE 5 H ILE 5 0.328 11.017 -2.702
29 HA ILE 5 HA ILE 5 1.582 8.444 -2.275
30 HB ILE 5 HB ILE 5 3.572 9.770 -2.383
31 1HG1 ILE 5 2HG1 ILE 5 1.777 12.117 -1.720
32 2HG1 ILE 5 1HG1 ILE 5 3.011 11.420 -0.671
33 1HG2 ILE 5 3HG2 ILE 5 1.483 10.040 -4.252
34 2HG2 ILE 5 2HG2 ILE 5 2.184 11.647 -4.072
35 3HG2 ILE 5 1HG2 ILE 5 3.206 10.288 -4.539
36 1HD1 ILE 5 3HD1 ILE 5 3.655 12.523 -3.411
37 2HD1 ILE 5 2HD1 ILE 5 3.695 13.522 -1.958
38 3HD1 ILE 5 1HD1 ILE 5 4.778 12.138 -2.107
39 H ILE 6 H ILE 6 3.290 8.376 -0.363
40 HA ILE 6 HA ILE 6 1.817 9.132 2.143
41 HB ILE 6 HB ILE 6 3.698 7.233 2.863
42 1HG1 ILE 6 2HG1 ILE 6 4.162 6.893 0.380
43 2HG1 ILE 6 1HG1 ILE 6 3.698 5.442 1.264
44 1HG2 ILE 6 1HG2 ILE 6 0.912 7.540 2.785
45 2HG2 ILE 6 3HG2 ILE 6 1.231 5.966 2.057
46 3HG2 ILE 6 2HG2 ILE 6 1.828 6.325 3.677
47 1HD1 ILE 6 2HD1 ILE 6 1.247 6.274 0.453
48 2HD1 ILE 6 1HD1 ILE 6 2.223 6.930 -0.853
49 3HD1 ILE 6 3HD1 ILE 6 2.260 5.207 -0.512
50 H ASP 7 H ASP 7 3.982 8.736 3.945
51 HA ASP 7 HA ASP 7 6.000 10.743 3.019
52 1HB ASP 7 2HB ASP 7 3.832 11.301 4.623
53 2HB ASP 7 1HB ASP 7 5.102 10.999 5.810
54 H ILE 8 H ILE 8 6.611 8.050 3.154
55 HA ILE 8 HA ILE 8 7.962 6.432 4.235
56 HB ILE 8 HB ILE 8 9.437 8.279 3.354
57 1HG1 ILE 8 2HG1 ILE 8 10.352 6.892 5.893
58 2HG1 ILE 8 1HG1 ILE 8 10.394 6.205 4.269
59 1HG2 ILE 8 3HG2 ILE 8 9.005 9.266 6.164
60 2HG2 ILE 8 2HG2 ILE 8 10.509 9.628 5.321
61 3HG2 ILE 8 1HG2 ILE 8 8.971 10.172 4.652
62 1HD1 ILE 8 1HD1 ILE 8 11.708 8.849 4.624
63 2HD1 ILE 8 3HD1 ILE 8 12.513 7.465 5.362
64 3HD1 ILE 8 2HD1 ILE 8 12.192 7.477 3.628
65 H GLY 9 H GLY 9 5.776 7.119 5.817
66 1HA GLY 9 2HA GLY 9 6.985 6.909 8.543
67 2HA GLY 9 1HA GLY 9 5.610 7.973 8.268
68 HA PRO 10 HA PRO 10 2.953 4.551 8.770
69 1HB PRO 10 2HB PRO 10 0.957 5.020 6.958
70 2HB PRO 10 1HB PRO 10 1.218 6.017 8.400
71 1HG PRO 10 2HG PRO 10 1.718 6.648 5.593
72 2HG PRO 10 1HG PRO 10 1.550 7.730 6.979
73 1HD PRO 10 2HD PRO 10 3.955 6.849 5.684
74 2HD PRO 10 1HD PRO 10 3.797 7.975 7.049
75 H PHE 11 H PHE 11 2.970 4.962 5.189
76 HA PHE 11 HA PHE 11 2.485 2.269 4.534
77 1HB PHE 11 2HB PHE 11 3.918 4.579 3.263
78 2HB PHE 11 1HB PHE 11 3.977 2.999 2.478
79 HD1 PHE 11 HD2 PHE 11 1.150 4.196 4.554
80 HD2 PHE 11 HD1 PHE 11 2.607 3.518 0.574
81 HE1 PHE 11 HE2 PHE 11 -1.135 4.542 3.662
82 HE2 PHE 11 HE1 PHE 11 0.322 3.865 -0.319
83 HZ PHE 11 HZ PHE 11 -1.550 4.379 1.224
84 H THR 12 H THR 12 5.492 3.833 5.544
85 HA THR 12 HA THR 12 7.323 1.744 4.913
86 HB THR 12 HB THR 12 8.742 2.895 6.434
87 HG1 THR 12 HG1 THR 12 6.607 4.150 7.709
88 1HG2 THR 12 1HG2 THR 12 7.697 4.353 4.571
89 2HG2 THR 12 3HG2 THR 12 6.800 5.106 5.878
90 3HG2 THR 12 2HG2 THR 12 8.558 5.164 5.869
91 H GLN 13 H GLN 13 5.697 2.534 7.960
92 HA GLN 13 HA GLN 13 6.258 0.003 9.234
93 1HB GLN 13 2HB GLN 13 5.094 2.512 9.835
94 2HB GLN 13 1HB GLN 13 3.858 1.305 10.189
95 1HG GLN 13 2HG GLN 13 5.532 0.036 11.535
96 2HG GLN 13 1HG GLN 13 6.699 1.328 11.250
97 1HE2 GLN 13 2HE2 GLN 13 4.553 3.694 13.160
98 2HE2 GLN 13 1HE2 GLN 13 5.198 3.634 11.590
99 H ASN 14 H ASN 14 3.972 1.022 6.894
100 HA ASN 14 HA ASN 14 1.948 -1.015 7.400
101 1HB ASN 14 2HB ASN 14 1.862 1.337 6.218
102 2HB ASN 14 1HB ASN 14 2.359 0.416 4.798
103 1HD2 ASN 14 2HD2 ASN 14 -1.448 0.473 5.252
104 2HD2 ASN 14 1HD2 ASN 14 -0.307 1.724 5.379
105 H LEU 15 H LEU 15 4.062 -0.472 4.620
106 HA LEU 15 HA LEU 15 3.862 -2.834 3.228
107 1HB LEU 15 2HB LEU 15 5.321 -1.298 2.297
108 2HB LEU 15 1HB LEU 15 6.017 -0.863 3.852
109 HG LEU 15 HG LEU 15 7.357 -2.891 3.879
110 1HD1 LEU 15 1HD1 LEU 15 5.686 -3.569 1.467
111 2HD1 LEU 15 3HD1 LEU 15 7.280 -4.290 1.685
112 3HD1 LEU 15 2HD1 LEU 15 6.022 -4.552 2.891
113 1HD2 LEU 15 1HD2 LEU 15 7.968 -0.807 2.428
114 2HD2 LEU 15 3HD2 LEU 15 8.894 -2.293 2.205
115 3HD2 LEU 15 2HD2 LEU 15 7.623 -1.865 1.060
116 H GLY 16 H GLY 16 6.403 -2.388 5.719
117 1HA GLY 16 2HA GLY 16 7.248 -5.027 5.963
118 2HA GLY 16 1HA GLY 16 7.207 -3.913 7.332
119 H LYS 17 H LYS 17 4.483 -3.508 7.641
120 HA LYS 17 HA LYS 17 3.668 -5.914 9.018
121 1HB LYS 17 2HB LYS 17 2.834 -3.145 8.631
122 2HB LYS 17 1HB LYS 17 1.458 -4.246 8.737
123 1HG LYS 17 2HG LYS 17 1.729 -4.338 10.966
124 2HG LYS 17 1HG LYS 17 3.323 -5.052 10.725
125 1HD LYS 17 2HD LYS 17 4.409 -2.965 10.817
126 2HD LYS 17 1HD LYS 17 2.921 -2.074 10.498
127 1HE LYS 17 2HE LYS 17 3.744 -2.033 12.932
128 2HE LYS 17 1HE LYS 17 2.065 -2.561 12.705
129 1HZ LYS 17 3HZ LYS 17 4.375 -4.424 12.737
130 2HZ LYS 17 2HZ LYS 17 3.441 -4.077 14.114
131 3HZ LYS 17 1HZ LYS 17 2.727 -4.826 12.766
132 H PHE 18 H PHE 18 1.495 -4.251 6.864
133 HA PHE 18 HA PHE 18 -0.112 -6.279 5.996
134 1HB PHE 18 2HB PHE 18 0.979 -3.800 4.777
135 2HB PHE 18 1HB PHE 18 0.114 -4.898 3.700
136 HD1 PHE 18 HD1 PHE 18 -0.492 -4.341 7.334
137 HD2 PHE 18 HD2 PHE 18 -1.929 -3.740 3.332
138 HE1 PHE 18 HE1 PHE 18 -2.653 -3.525 8.233
139 HE2 PHE 18 HE2 PHE 18 -4.090 -2.922 4.230
140 HZ PHE 18 HZ PHE 18 -4.452 -2.813 6.682
141 H ALA 19 H ALA 19 2.665 -5.315 4.025
142 HA ALA 19 HA ALA 19 2.738 -7.375 2.188
143 1HB ALA 19 2HB ALA 19 4.316 -5.312 2.753
144 2HB ALA 19 1HB ALA 19 5.296 -6.558 3.525
145 3HB ALA 19 3HB ALA 19 4.922 -6.671 1.805
146 H VAL 20 H VAL 20 4.879 -7.536 5.059
147 HA VAL 20 HA VAL 20 5.586 -10.194 5.040
148 HB VAL 20 HB VAL 20 4.766 -8.366 7.309
149 1HG1 VAL 20 3HG1 VAL 20 6.007 -11.125 7.395
150 2HG1 VAL 20 2HG1 VAL 20 6.130 -9.981 8.731
151 3HG1 VAL 20 1HG1 VAL 20 4.550 -10.572 8.220
152 1HG2 VAL 20 3HG2 VAL 20 6.764 -7.857 5.801
153 2HG2 VAL 20 2HG2 VAL 20 7.122 -7.975 7.523
154 3HG2 VAL 20 1HG2 VAL 20 7.510 -9.319 6.449
155 H ASP 21 H ASP 21 2.396 -8.908 5.783
156 HA ASP 21 HA ASP 21 1.421 -11.549 6.715
157 1HB ASP 21 2HB ASP 21 0.821 -8.828 7.174
158 2HB ASP 21 1HB ASP 21 -0.580 -9.488 6.330
159 H GLU 22 H GLU 22 0.126 -9.173 4.339
160 HA GLU 22 HA GLU 22 -1.388 -11.129 2.922
161 1HB GLU 22 2HB GLU 22 -0.215 -8.542 1.873
162 2HB GLU 22 1HB GLU 22 -1.671 -9.348 1.290
163 1HG GLU 22 2HG GLU 22 -1.990 -9.012 4.086
164 2HG GLU 22 1HG GLU 22 -1.401 -7.473 3.455
165 H GLU 23 H GLU 23 1.953 -10.123 2.617
166 HA GLU 23 HA GLU 23 2.426 -11.557 0.110
167 1HB GLU 23 2HB GLU 23 3.788 -9.628 0.977
168 2HB GLU 23 1HB GLU 23 4.341 -10.652 2.292
169 1HG GLU 23 2HG GLU 23 5.758 -10.346 0.034
170 2HG GLU 23 1HG GLU 23 5.779 -11.841 0.956
171 H ASN 24 H ASN 24 3.521 -12.176 3.487
172 HA ASN 24 HA ASN 24 4.351 -14.855 3.097
173 1HB ASN 24 2HB ASN 24 4.637 -13.456 5.162
174 2HB ASN 24 1HB ASN 24 2.909 -13.619 5.478
175 1HD2 ASN 24 2HD2 ASN 24 5.212 -16.406 6.996
176 2HD2 ASN 24 1HD2 ASN 24 5.638 -14.790 6.699
177 H LYS 25 H LYS 25 1.147 -13.549 4.001
178 HA LYS 25 HA LYS 25 -0.292 -15.998 3.985
179 1HB LYS 25 2HB LYS 25 -1.027 -13.674 4.728
180 2HB LYS 25 1HB LYS 25 -1.247 -13.290 3.020
181 1HG LYS 25 2HG LYS 25 -3.069 -14.696 2.794
182 2HG LYS 25 1HG LYS 25 -2.524 -15.780 4.075
183 1HD LYS 25 2HD LYS 25 -2.958 -13.788 5.670
184 2HD LYS 25 1HD LYS 25 -3.892 -13.105 4.339
185 1HE LYS 25 2HE LYS 25 -5.253 -15.204 4.258
186 2HE LYS 25 1HE LYS 25 -4.372 -15.787 5.685
187 1HZ LYS 25 1HZ LYS 25 -4.986 -13.344 6.487
188 2HZ LYS 25 3HZ LYS 25 -6.309 -13.619 5.463
189 3HZ LYS 25 2HZ LYS 25 -6.008 -14.674 6.759
190 H ILE 26 H ILE 26 0.350 -13.660 1.417
191 HA ILE 26 HA ILE 26 -0.944 -14.905 -0.738
192 HB ILE 26 HB ILE 26 1.315 -13.040 -0.306
193 1HG1 ILE 26 2HG1 ILE 26 -0.889 -12.172 -0.757
194 2HG1 ILE 26 1HG1 ILE 26 0.110 -11.840 -2.172
195 1HG2 ILE 26 3HG2 ILE 26 1.138 -14.646 -2.864
196 2HG2 ILE 26 2HG2 ILE 26 1.905 -13.060 -2.785
197 3HG2 ILE 26 1HG2 ILE 26 2.550 -14.399 -1.837
198 1HD1 ILE 26 1HD1 ILE 26 -0.913 -14.361 -2.705
199 2HD1 ILE 26 3HD1 ILE 26 -2.267 -13.525 -1.943
200 3HD1 ILE 26 2HD1 ILE 26 -1.506 -12.844 -3.381
201 H GLY 27 H GLY 27 1.884 -15.860 1.004
202 1HA GLY 27 2HA GLY 27 2.378 -18.338 0.859
203 2HA GLY 27 1HA GLY 27 2.272 -18.146 -0.892
204 H GLN 28 H GLN 28 3.739 -15.636 1.023
205 HA GLN 28 HA GLN 28 6.443 -16.520 0.068
206 1HB GLN 28 2HB GLN 28 5.136 -14.524 -1.041
207 2HB GLN 28 1HB GLN 28 5.620 -13.645 0.411
208 1HG GLN 28 2HG GLN 28 7.248 -13.387 -1.472
209 2HG GLN 28 1HG GLN 28 7.968 -14.109 -0.032
210 1HE2 GLN 28 2HE2 GLN 28 9.169 -16.683 -2.135
211 2HE2 GLN 28 1HE2 GLN 28 9.561 -15.418 -1.075
212 H TYR 29 H TYR 29 6.121 -17.458 2.441
213 HA TYR 29 HA TYR 29 6.572 -15.449 4.566
214 1HB TYR 29 2HB TYR 29 6.397 -17.467 6.004
215 2HB TYR 29 1HB TYR 29 5.042 -17.362 4.881
216 HD1 TYR 29 HD2 TYR 29 8.327 -19.000 5.484
217 HD2 TYR 29 HD1 TYR 29 4.691 -19.018 3.197
218 HE1 TYR 29 HE2 TYR 29 8.922 -21.221 4.555
219 HE2 TYR 29 HE1 TYR 29 5.284 -21.240 2.270
220 HH TYR 29 HH TYR 29 7.882 -23.123 3.536
221 H GLY 30 H GLY 30 8.563 -16.182 2.338
222 1HA GLY 30 2HA GLY 30 10.743 -17.680 3.093
223 2HA GLY 30 1HA GLY 30 10.929 -16.123 2.285
224 H ARG 31 H ARG 31 10.302 -14.251 4.081
225 HA ARG 31 HA ARG 31 11.380 -14.845 6.746
226 1HB ARG 31 2HB ARG 31 12.960 -13.527 4.550
227 2HB ARG 31 1HB ARG 31 13.256 -13.070 6.227
228 1HG ARG 31 2HG ARG 31 13.217 -15.793 6.434
229 2HG ARG 31 1HG ARG 31 13.901 -15.588 4.822
230 1HD ARG 31 2HD ARG 31 15.751 -14.352 5.632
231 2HD ARG 31 1HD ARG 31 14.946 -14.000 7.174
232 HE ARG 31 HE ARG 31 15.036 -16.788 7.029
233 1HH1 ARG 31 1HH2 ARG 31 17.581 -14.988 5.865
234 2HH1 ARG 31 2HH2 ARG 31 18.743 -15.523 7.034
235 1HH2 ARG 31 2HH1 ARG 31 16.401 -17.142 9.013
236 2HH2 ARG 31 1HH1 ARG 31 18.075 -16.743 8.815
237 H LEU 32 H LEU 32 11.908 -11.771 5.143
238 HA LEU 32 HA LEU 32 9.532 -10.644 6.588
239 1HB LEU 32 2HB LEU 32 12.266 -9.393 6.179
240 2HB LEU 32 1HB LEU 32 10.948 -8.738 7.151
241 HG LEU 32 HG LEU 32 11.143 -11.162 8.295
242 1HD1 LEU 32 2HD1 LEU 32 13.293 -11.223 6.565
243 2HD1 LEU 32 1HD1 LEU 32 14.036 -10.700 8.077
244 3HD1 LEU 32 3HD1 LEU 32 13.133 -12.213 8.015
245 1HD2 LEU 32 3HD2 LEU 32 11.312 -8.903 9.373
246 2HD2 LEU 32 2HD2 LEU 32 12.434 -10.079 10.057
247 3HD2 LEU 32 1HD2 LEU 32 13.017 -8.859 8.924
248 H THR 33 H THR 33 9.319 -8.204 5.645
249 HA THR 33 HA THR 33 9.773 -8.184 2.708
250 HB THR 33 HB THR 33 7.075 -7.352 3.302
251 HG1 THR 33 HG1 THR 33 7.427 -10.066 3.861
252 1HG2 THR 33 2HG2 THR 33 8.211 -8.290 1.162
253 2HG2 THR 33 1HG2 THR 33 7.876 -9.873 1.865
254 3HG2 THR 33 3HG2 THR 33 6.548 -8.770 1.502
255 H PHE 34 H PHE 34 11.114 -6.588 4.491
256 HA PHE 34 HA PHE 34 10.611 -3.938 3.586
257 1HB PHE 34 2HB PHE 34 8.564 -3.986 4.808
258 2HB PHE 34 1HB PHE 34 9.319 -4.782 6.189
259 HD1 PHE 34 HD2 PHE 34 10.192 -1.766 4.127
260 HD2 PHE 34 HD1 PHE 34 9.399 -3.364 8.034
261 HE1 PHE 34 HE2 PHE 34 10.687 0.446 5.132
262 HE2 PHE 34 HE1 PHE 34 9.893 -1.151 9.039
263 HZ PHE 34 HZ PHE 34 10.538 0.754 7.588
264 H ASN 35 H ASN 35 13.000 -4.465 3.555
265 HA ASN 35 HA ASN 35 14.263 -3.988 6.237
266 1HB ASN 35 2HB ASN 35 14.545 -6.253 5.151
267 2HB ASN 35 1HB ASN 35 15.398 -5.448 3.834
268 1HD2 ASN 35 2HD2 ASN 35 18.427 -5.435 5.609
269 2HD2 ASN 35 1HD2 ASN 35 17.627 -5.421 4.112
270 H LYS 36 H LYS 36 14.644 -3.445 2.712
271 HA LYS 36 HA LYS 36 16.826 -1.585 2.975
272 1HB LYS 36 2HB LYS 36 14.948 -2.579 0.911
273 2HB LYS 36 1HB LYS 36 15.679 -1.008 0.582
274 1HG LYS 36 2HG LYS 36 17.530 -3.076 1.608
275 2HG LYS 36 1HG LYS 36 16.883 -3.375 -0.004
276 1HD LYS 36 2HD LYS 36 18.742 -2.073 -0.516
277 2HD LYS 36 1HD LYS 36 17.496 -0.832 -0.382
278 1HE LYS 36 2HE LYS 36 18.549 0.120 1.386
279 2HE LYS 36 1HE LYS 36 18.664 -1.442 2.221
280 1HZ LYS 36 1HZ LYS 36 20.352 -0.894 -0.131
281 2HZ LYS 36 3HZ LYS 36 20.823 -0.314 1.391
282 3HZ LYS 36 2HZ LYS 36 20.618 -1.982 1.147
283 H VAL 37 H VAL 37 14.068 -0.311 1.229
284 HA VAL 37 HA VAL 37 13.358 1.568 3.400
285 HB VAL 37 HB VAL 37 14.980 2.247 0.948
286 1HG1 VAL 37 3HG1 VAL 37 13.401 4.142 2.715
287 2HG1 VAL 37 2HG1 VAL 37 14.597 4.641 1.518
288 3HG1 VAL 37 1HG1 VAL 37 13.115 3.835 1.002
289 1HG2 VAL 37 1HG2 VAL 37 15.270 2.478 3.929
290 2HG2 VAL 37 3HG2 VAL 37 16.425 1.871 2.743
291 3HG2 VAL 37 2HG2 VAL 37 16.137 3.606 2.887
292 H ILE 38 H ILE 38 11.757 3.242 2.552
293 HA ILE 38 HA ILE 38 10.116 2.245 0.242
294 HB ILE 38 HB ILE 38 9.131 1.394 2.289
295 1HG1 ILE 38 2HG1 ILE 38 7.852 3.565 0.764
296 2HG1 ILE 38 1HG1 ILE 38 7.235 1.973 1.170
297 1HG2 ILE 38 2HG2 ILE 38 10.398 2.938 3.799
298 2HG2 ILE 38 1HG2 ILE 38 9.270 4.226 3.381
299 3HG2 ILE 38 3HG2 ILE 38 8.700 2.796 4.234
300 1HD1 ILE 38 1HD1 ILE 38 6.837 2.912 3.531
301 2HD1 ILE 38 3HD1 ILE 38 7.088 4.501 2.807
302 3HD1 ILE 38 2HD1 ILE 38 5.768 3.476 2.248
303 H ARG 39 H ARG 39 11.025 4.076 -0.966
304 HA ARG 39 HA ARG 39 10.294 6.768 0.110
305 1HB ARG 39 2HB ARG 39 12.579 5.686 -1.107
306 2HB ARG 39 1HB ARG 39 11.859 6.725 -2.336
307 1HG ARG 39 2HG ARG 39 11.708 8.550 -0.618
308 2HG ARG 39 1HG ARG 39 12.601 7.512 0.494
309 1HD ARG 39 2HD ARG 39 14.575 7.615 -0.792
310 2HD ARG 39 1HD ARG 39 13.703 8.122 -2.252
311 HE ARG 39 HE ARG 39 13.271 10.032 -0.147
312 1HH1 ARG 39 2HH1 ARG 39 15.139 9.165 -2.869
313 2HH1 ARG 39 1HH1 ARG 39 16.188 10.540 -2.774
314 1HH2 ARG 39 1HH2 ARG 39 14.832 11.701 0.199
315 2HH2 ARG 39 2HH2 ARG 39 16.015 11.975 -1.037
316 HA PRO 40 HA PRO 40 8.314 6.844 -4.134
317 1HB PRO 40 2HB PRO 40 8.666 4.768 -5.885
318 2HB PRO 40 1HB PRO 40 9.778 6.142 -5.755
319 1HG PRO 40 2HG PRO 40 10.151 3.372 -4.911
320 2HG PRO 40 1HG PRO 40 11.346 4.635 -5.195
321 1HD PRO 40 2HD PRO 40 10.333 3.713 -2.680
322 2HD PRO 40 1HD PRO 40 11.536 4.980 -2.986
323 H CYS 41 H CYS 41 7.138 5.759 -1.919
324 HA CYS 41 HA CYS 41 5.376 3.549 -2.892
325 1HB CYS 41 2HB CYS 41 4.796 3.405 -0.450
326 2HB CYS 41 1HB CYS 41 6.515 3.182 -0.766
327 HG CYS 41 HG CYS 41 6.862 5.721 -0.038
328 H MET 42 H MET 42 3.425 4.180 -3.698
329 HA MET 42 HA MET 42 2.236 6.753 -2.713
330 1HB MET 42 2HB MET 42 2.570 5.454 -5.377
331 2HB MET 42 1HB MET 42 1.092 6.382 -5.117
332 1HG MET 42 2HG MET 42 2.625 8.251 -4.231
333 2HG MET 42 1HG MET 42 3.952 7.342 -4.957
334 1HE MET 42 1HE MET 42 3.916 6.358 -7.002
335 2HE MET 42 3HE MET 42 3.040 6.817 -8.469
336 3HE MET 42 2HE MET 42 4.429 7.761 -7.937
337 H LYS 43 H LYS 43 -0.275 6.702 -3.236
338 HA LYS 43 HA LYS 43 -1.425 3.998 -2.674
339 1HB LYS 43 2HB LYS 43 -1.122 5.043 -0.523
340 2HB LYS 43 1HB LYS 43 -1.777 6.570 -1.110
341 1HG LYS 43 2HG LYS 43 -3.590 4.286 -1.484
342 2HG LYS 43 1HG LYS 43 -3.234 4.641 0.206
343 1HD LYS 43 2HD LYS 43 -3.812 7.036 -0.220
344 2HD LYS 43 1HD LYS 43 -4.288 6.594 -1.860
345 1HE LYS 43 2HE LYS 43 -6.354 6.214 -0.976
346 2HE LYS 43 1HE LYS 43 -5.647 4.746 -0.273
347 1HZ LYS 43 1HZ LYS 43 -4.842 6.161 1.584
348 2HZ LYS 43 3HZ LYS 43 -5.745 7.450 0.953
349 3HZ LYS 43 2HZ LYS 43 -6.535 6.050 1.504
350 H LYS 44 H LYS 44 -3.682 3.831 -3.298
351 HA LYS 44 HA LYS 44 -4.928 6.164 -4.644
352 1HB LYS 44 2HB LYS 44 -3.314 4.454 -6.054
353 2HB LYS 44 1HB LYS 44 -4.892 3.693 -6.270
354 1HG LYS 44 2HG LYS 44 -5.309 6.471 -6.590
355 2HG LYS 44 1HG LYS 44 -3.857 6.082 -7.513
356 1HD LYS 44 2HD LYS 44 -5.715 3.985 -7.977
357 2HD LYS 44 1HD LYS 44 -6.595 5.502 -8.165
358 1HE LYS 44 2HE LYS 44 -5.651 5.731 -10.212
359 2HE LYS 44 1HE LYS 44 -4.066 5.864 -9.423
360 1HZ LYS 44 2HZ LYS 44 -5.454 3.312 -10.056
361 2HZ LYS 44 1HZ LYS 44 -4.160 3.963 -10.945
362 3HZ LYS 44 3HZ LYS 44 -3.920 3.467 -9.341
363 H THR 45 H THR 45 -6.750 6.032 -3.289
364 HA THR 45 HA THR 45 -8.125 3.408 -2.986
365 HB THR 45 HB THR 45 -8.191 6.113 -1.653
366 HG1 THR 45 HG1 THR 45 -8.192 3.636 -0.372
367 1HG2 THR 45 3HG2 THR 45 -10.466 4.352 -2.000
368 2HG2 THR 45 2HG2 THR 45 -10.023 4.460 -0.300
369 3HG2 THR 45 1HG2 THR 45 -10.391 5.924 -1.210
370 H ILE 46 H ILE 46 -10.307 3.132 -3.661
371 HA ILE 46 HA ILE 46 -11.312 5.201 -5.592
372 HB ILE 46 HB ILE 46 -10.660 3.014 -6.561
373 1HG1 ILE 46 2HG1 ILE 46 -13.308 2.412 -7.069
374 2HG1 ILE 46 1HG1 ILE 46 -13.394 4.100 -6.564
375 1HG2 ILE 46 2HG2 ILE 46 -12.661 1.965 -4.541
376 2HG2 ILE 46 1HG2 ILE 46 -12.011 1.007 -5.871
377 3HG2 ILE 46 3HG2 ILE 46 -10.936 1.605 -4.607
378 1HD1 ILE 46 1HD1 ILE 46 -11.337 3.187 -8.568
379 2HD1 ILE 46 3HD1 ILE 46 -12.971 3.616 -9.074
380 3HD1 ILE 46 2HD1 ILE 46 -11.948 4.816 -8.283
381 H TYR 47 H TYR 47 -11.757 5.437 -2.834
382 HA TYR 47 HA TYR 47 -14.322 4.257 -2.121
383 1HB TYR 47 2HB TYR 47 -13.884 5.228 -0.011
384 2HB TYR 47 1HB TYR 47 -12.282 4.872 -0.650
385 HD1 TYR 47 HD2 TYR 47 -12.355 7.205 -2.751
386 HD2 TYR 47 HD1 TYR 47 -13.149 7.004 1.468
387 HE1 TYR 47 HE2 TYR 47 -11.742 9.592 -2.521
388 HE2 TYR 47 HE1 TYR 47 -12.536 9.394 1.694
389 HH TYR 47 HH TYR 47 -10.802 11.046 -0.322
390 H GLU 48 H GLU 48 -15.889 6.052 -1.031
391 HA GLU 48 HA GLU 48 -17.005 7.552 -3.235
392 1HB GLU 48 2HB GLU 48 -18.290 6.540 -1.381
393 2HB GLU 48 1HB GLU 48 -17.525 7.657 -0.253
394 1HG GLU 48 2HG GLU 48 -19.417 8.886 -0.690
395 2HG GLU 48 1HG GLU 48 -18.436 9.441 -2.047
396 H ASN 49 H ASN 49 -16.891 9.417 -0.331
397 HA ASN 49 HA ASN 49 -14.510 10.953 -0.897
398 1HB ASN 49 2HB ASN 49 -15.972 11.380 -2.911
399 2HB ASN 49 1HB ASN 49 -17.132 12.153 -1.830
400 1HD2 ASN 49 2HD2 ASN 49 -15.376 15.164 -2.458
401 2HD2 ASN 49 1HD2 ASN 49 -16.834 14.316 -2.642
402 H GLU 50 H GLU 50 -17.897 11.509 0.138
403 HA GLU 50 HA GLU 50 -16.901 12.302 2.827
404 1HB GLU 50 2HB GLU 50 -16.899 14.317 1.362
405 2HB GLU 50 1HB GLU 50 -18.613 14.058 1.035
406 1HG GLU 50 2HG GLU 50 -19.077 15.267 2.876
407 2HG GLU 50 1HG GLU 50 -18.366 13.971 3.837
408 H ARG 51 H ARG 51 -18.821 10.340 1.232
409 HA ARG 51 HA ARG 51 -21.118 10.634 3.129
410 1HB ARG 51 2HB ARG 51 -21.764 11.177 0.846
411 2HB ARG 51 1HB ARG 51 -20.994 9.709 0.241
412 1HG ARG 51 2HG ARG 51 -22.990 8.688 0.494
413 2HG ARG 51 1HG ARG 51 -22.730 8.804 2.235
414 1HD ARG 51 2HD ARG 51 -23.641 11.315 1.746
415 2HD ARG 51 1HD ARG 51 -24.512 10.416 0.488
416 HE ARG 51 HE ARG 51 -24.540 9.071 3.080
417 1HH1 ARG 51 1HH2 ARG 51 -26.594 9.546 0.686
418 2HH1 ARG 51 2HH2 ARG 51 -27.888 10.259 1.591
419 1HH2 ARG 51 2HH1 ARG 51 -25.961 10.806 4.421
420 2HH2 ARG 51 1HH1 ARG 51 -27.529 10.972 3.705
421 H GLU 52 H GLU 52 -18.778 8.506 1.550
422 HA GLU 52 HA GLU 52 -19.103 6.507 3.650
423 1HB GLU 52 2HB GLU 52 -19.940 4.757 1.947
424 2HB GLU 52 1HB GLU 52 -21.112 5.941 2.524
425 1HG GLU 52 2HG GLU 52 -21.056 7.165 0.522
426 2HG GLU 52 1HG GLU 52 -19.498 6.489 0.045
427 H ILE 53 H ILE 53 -18.174 4.264 2.386
428 HA ILE 53 HA ILE 53 -15.588 5.126 1.130
429 HB ILE 53 HB ILE 53 -15.619 4.414 3.600
430 1HG1 ILE 53 2HG1 ILE 53 -13.599 2.921 3.270
431 2HG1 ILE 53 1HG1 ILE 53 -13.933 2.972 1.539
432 1HG2 ILE 53 3HG2 ILE 53 -17.251 2.478 2.982
433 2HG2 ILE 53 2HG2 ILE 53 -15.789 1.619 2.494
434 3HG2 ILE 53 1HG2 ILE 53 -15.978 2.162 4.161
435 1HD1 ILE 53 2HD1 ILE 53 -14.052 5.646 2.388
436 2HD1 ILE 53 1HD1 ILE 53 -12.649 4.963 3.211
437 3HD1 ILE 53 3HD1 ILE 53 -12.761 4.893 1.453
438 H LYS 54 H LYS 54 -14.739 3.596 -0.441
439 HA LYS 54 HA LYS 54 -16.685 1.467 -1.266
440 1HB LYS 54 2HB LYS 54 -16.096 3.875 -2.565
441 2HB LYS 54 1HB LYS 54 -15.224 2.641 -3.475
442 1HG LYS 54 2HG LYS 54 -17.151 1.567 -4.132
443 2HG LYS 54 1HG LYS 54 -18.025 2.013 -2.667
444 1HD LYS 54 2HD LYS 54 -18.453 4.209 -3.455
445 2HD LYS 54 1HD LYS 54 -17.239 4.074 -4.729
446 1HE LYS 54 2HE LYS 54 -18.985 1.942 -5.230
447 2HE LYS 54 1HE LYS 54 -20.047 3.298 -4.796
448 1HZ LYS 54 2HZ LYS 54 -18.327 4.607 -6.261
449 2HZ LYS 54 1HZ LYS 54 -18.109 3.084 -6.985
450 3HZ LYS 54 3HZ LYS 54 -19.644 3.804 -6.973
451 H GLY 55 H GLY 55 -13.382 2.543 -2.349
452 1HA GLY 55 2HA GLY 55 -12.513 -0.253 -1.761
453 2HA GLY 55 1HA GLY 55 -12.181 0.450 -3.339
454 H TYR 56 H TYR 56 -10.014 -0.382 -2.045
455 HA TYR 56 HA TYR 56 -8.598 2.131 -1.412
456 1HB TYR 56 2HB TYR 56 -9.757 1.073 0.666
457 2HB TYR 56 1HB TYR 56 -8.502 -0.160 0.551
458 HD1 TYR 56 HD2 TYR 56 -6.037 0.816 0.206
459 HD2 TYR 56 HD1 TYR 56 -9.320 2.960 1.960
460 HE1 TYR 56 HE2 TYR 56 -4.438 2.337 1.338
461 HE2 TYR 56 HE1 TYR 56 -7.721 4.480 3.092
462 HH TYR 56 HH TYR 56 -5.373 4.459 3.829
463 H GLU 57 H GLU 57 -7.624 1.293 -3.510
464 HA GLU 57 HA GLU 57 -5.822 -1.057 -3.152
465 1HB GLU 57 2HB GLU 57 -5.664 -0.946 -5.585
466 2HB GLU 57 1HB GLU 57 -7.363 -0.803 -5.134
467 1HG GLU 57 2HG GLU 57 -7.294 1.605 -5.398
468 2HG GLU 57 1HG GLU 57 -5.549 1.567 -5.662
469 H TYR 58 H TYR 58 -3.501 -0.689 -4.055
470 HA TYR 58 HA TYR 58 -2.619 2.110 -4.117
471 1HB TYR 58 2HB TYR 58 -1.940 2.343 -1.968
472 2HB TYR 58 1HB TYR 58 -3.043 1.015 -1.655
473 HD1 TYR 58 HD2 TYR 58 -1.464 -1.306 -2.786
474 HD2 TYR 58 HD1 TYR 58 -0.205 2.045 -0.423
475 HE1 TYR 58 HE2 TYR 58 0.390 -2.649 -1.858
476 HE2 TYR 58 HE1 TYR 58 1.642 0.700 0.509
477 HH TYR 58 HH TYR 58 1.970 -2.002 0.822
478 H GLN 59 H GLN 59 -0.215 2.291 -4.155
479 HA GLN 59 HA GLN 59 1.144 -0.107 -5.305
480 1HB GLN 59 2HB GLN 59 0.799 2.695 -6.391
481 2HB GLN 59 1HB GLN 59 2.181 1.713 -6.876
482 1HG GLN 59 2HG GLN 59 0.912 0.426 -8.233
483 2HG GLN 59 1HG GLN 59 -0.331 0.224 -6.998
484 1HE2 GLN 59 2HE2 GLN 59 -1.069 2.706 -10.027
485 2HE2 GLN 59 1HE2 GLN 59 0.152 1.526 -10.040
486 H LEU 60 H LEU 60 3.000 -0.418 -4.105
487 HA LEU 60 HA LEU 60 4.192 1.963 -2.736
488 1HB LEU 60 2HB LEU 60 3.028 0.355 -1.267
489 2HB LEU 60 1HB LEU 60 4.030 -0.949 -1.887
490 HG LEU 60 HG LEU 60 5.869 1.001 -1.101
491 1HD1 LEU 60 2HD1 LEU 60 3.718 1.957 0.078
492 2HD1 LEU 60 1HD1 LEU 60 3.985 0.636 1.216
493 3HD1 LEU 60 3HD1 LEU 60 5.231 1.861 0.980
494 1HD2 LEU 60 1HD2 LEU 60 4.815 -1.483 0.285
495 2HD2 LEU 60 3HD2 LEU 60 6.221 -1.363 -0.773
496 3HD2 LEU 60 2HD2 LEU 60 6.252 -0.612 0.822
497 H TYR 61 H TYR 61 5.411 2.060 -4.868
498 HA TYR 61 HA TYR 61 7.270 -0.023 -5.589
499 1HB TYR 61 2HB TYR 61 6.602 1.497 -7.245
500 2HB TYR 61 1HB TYR 61 6.804 2.884 -6.181
501 HD1 TYR 61 HD1 TYR 61 9.354 0.240 -6.284
502 HD2 TYR 61 HD2 TYR 61 8.193 4.071 -7.840
503 HE1 TYR 61 HE1 TYR 61 11.649 0.579 -7.162
504 HE2 TYR 61 HE2 TYR 61 10.487 4.411 -8.716
505 HH TYR 61 HH TYR 61 12.420 3.058 -9.373
506 H VAL 62 H VAL 62 8.859 -0.623 -4.162
507 HA VAL 62 HA VAL 62 10.668 1.441 -3.022
508 HB VAL 62 HB VAL 62 10.178 0.655 -0.730
509 1HG1 VAL 62 3HG1 VAL 62 8.883 2.551 -1.836
510 2HG1 VAL 62 2HG1 VAL 62 7.584 1.386 -2.096
511 3HG1 VAL 62 1HG1 VAL 62 8.098 1.781 -0.465
512 1HG2 VAL 62 3HG2 VAL 62 8.298 -1.147 -2.239
513 2HG2 VAL 62 2HG2 VAL 62 9.451 -1.566 -0.973
514 3HG2 VAL 62 1HG2 VAL 62 7.965 -0.710 -0.564
515 H TYR 63 H TYR 63 11.737 -0.297 -1.086
516 HA TYR 63 HA TYR 63 12.516 -2.780 -2.488
517 1HB TYR 63 2HB TYR 63 14.067 -0.983 -3.223
518 2HB TYR 63 1HB TYR 63 14.466 -0.657 -1.537
519 HD1 TYR 63 HD2 TYR 63 13.789 -4.135 -2.436
520 HD2 TYR 63 HD1 TYR 63 16.855 -1.140 -2.115
521 HE1 TYR 63 HE2 TYR 63 15.524 -5.901 -2.504
522 HE2 TYR 63 HE1 TYR 63 18.589 -2.911 -2.186
523 HH TYR 63 HH TYR 63 18.066 -5.953 -3.233
524 H ALA 64 H ALA 64 12.640 -4.399 -0.985
525 HA ALA 64 HA ALA 64 12.985 -3.616 1.886
526 1HB ALA 64 3HB ALA 64 10.683 -4.251 1.134
527 2HB ALA 64 2HB ALA 64 11.313 -5.831 0.668
528 3HB ALA 64 1HB ALA 64 11.328 -5.341 2.360
529 H SER 65 H SER 65 12.687 -6.861 1.926
530 HA SER 65 HA SER 65 15.626 -7.286 1.840
531 1HB SER 65 2HB SER 65 14.601 -8.067 3.834
532 2HB SER 65 1HB SER 65 13.210 -8.710 2.967
533 HG SER 65 HG SER 65 14.295 -10.475 2.551
534 H ASP 66 H ASP 66 12.672 -8.054 0.176
535 HA ASP 66 HA ASP 66 14.190 -9.395 -1.987
536 1HB ASP 66 2HB ASP 66 12.788 -10.775 0.064
537 2HB ASP 66 1HB ASP 66 11.809 -10.914 -1.396
538 H LYS 67 H LYS 67 12.349 -6.959 -1.305
539 HA LYS 67 HA LYS 67 10.344 -7.356 -3.510
540 1HB LYS 67 2HB LYS 67 9.268 -6.970 -1.430
541 2HB LYS 67 1HB LYS 67 10.425 -5.718 -0.978
542 1HG LYS 67 2HG LYS 67 9.251 -4.941 -3.463
543 2HG LYS 67 1HG LYS 67 7.949 -5.413 -2.378
544 1HD LYS 67 2HD LYS 67 10.177 -3.533 -1.580
545 2HD LYS 67 1HD LYS 67 8.614 -2.992 -2.195
546 1HE LYS 67 2HE LYS 67 8.819 -4.878 0.164
547 2HE LYS 67 1HE LYS 67 8.828 -3.118 0.364
548 1HZ LYS 67 2HZ LYS 67 6.814 -3.913 -1.485
549 2HZ LYS 67 1HZ LYS 67 6.608 -4.724 -0.008
550 3HZ LYS 67 3HZ LYS 67 6.655 -3.031 -0.043
551 H LEU 68 H LEU 68 12.184 -6.753 -4.961
552 HA LEU 68 HA LEU 68 13.126 -3.946 -4.866
553 1HB LEU 68 2HB LEU 68 13.560 -6.330 -6.690
554 2HB LEU 68 1HB LEU 68 14.279 -4.749 -7.002
555 HG LEU 68 HG LEU 68 14.626 -5.894 -4.267
556 1HD1 LEU 68 1HD1 LEU 68 15.730 -7.065 -6.784
557 2HD1 LEU 68 3HD1 LEU 68 16.810 -6.936 -5.396
558 3HD1 LEU 68 2HD1 LEU 68 15.313 -7.859 -5.267
559 1HD2 LEU 68 2HD2 LEU 68 16.248 -4.239 -6.214
560 2HD2 LEU 68 1HD2 LEU 68 15.571 -3.734 -4.666
561 3HD2 LEU 68 3HD2 LEU 68 16.928 -4.861 -4.711
562 H PHE 69 H PHE 69 10.553 -3.506 -5.049
563 HA PHE 69 HA PHE 69 10.093 -2.396 -7.625
564 1HB PHE 69 2HB PHE 69 8.307 -4.182 -8.268
565 2HB PHE 69 1HB PHE 69 9.985 -4.558 -8.527
566 HD1 PHE 69 HD1 PHE 69 8.113 -4.589 -5.268
567 HD2 PHE 69 HD2 PHE 69 10.091 -6.877 -8.318
568 HE1 PHE 69 HE1 PHE 69 7.931 -6.617 -3.865
569 HE2 PHE 69 HE2 PHE 69 9.912 -8.906 -6.907
570 HZ PHE 69 HZ PHE 69 8.832 -8.775 -4.681
571 H ARG 70 H ARG 70 7.081 -3.654 -7.018
572 HA ARG 70 HA ARG 70 6.494 -1.575 -4.945
573 1HB ARG 70 2HB ARG 70 5.936 -0.731 -7.147
574 2HB ARG 70 1HB ARG 70 5.087 -2.223 -7.545
575 1HG ARG 70 2HG ARG 70 3.596 -1.668 -5.463
576 2HG ARG 70 1HG ARG 70 4.244 -0.036 -5.637
577 1HD ARG 70 2HD ARG 70 2.980 -1.543 -7.948
578 2HD ARG 70 1HD ARG 70 2.073 -0.441 -6.894
579 HE ARG 70 HE ARG 70 3.957 1.252 -7.517
580 1HH1 ARG 70 1HH2 ARG 70 4.270 -1.404 -9.468
581 2HH1 ARG 70 2HH2 ARG 70 4.035 -0.576 -10.971
582 1HH2 ARG 70 2HH1 ARG 70 3.017 2.387 -9.484
583 2HH2 ARG 70 1HH1 ARG 70 3.325 1.570 -10.980
584 H ALA 71 H ALA 71 5.474 -2.441 -3.232
585 HA ALA 71 HA ALA 71 4.204 -5.089 -3.394
586 1HB ALA 71 1HB ALA 71 5.073 -3.113 -1.376
587 2HB ALA 71 3HB ALA 71 3.573 -3.940 -0.953
588 3HB ALA 71 2HB ALA 71 5.037 -4.874 -1.266
589 H ASP 72 H ASP 72 2.241 -5.017 -4.520
590 HA ASP 72 HA ASP 72 0.560 -2.595 -4.364
591 1HB ASP 72 2HB ASP 72 1.162 -4.339 -6.330
592 2HB ASP 72 1HB ASP 72 -0.314 -5.095 -5.729
593 H ILE 73 H ILE 73 -1.765 -2.816 -3.834
594 HA ILE 73 HA ILE 73 -2.659 -5.165 -2.351
595 HB ILE 73 HB ILE 73 -1.101 -3.433 -0.954
596 1HG1 ILE 73 2HG1 ILE 73 -2.051 -5.679 -0.308
597 2HG1 ILE 73 1HG1 ILE 73 -1.937 -4.518 1.015
598 1HG2 ILE 73 1HG2 ILE 73 -2.860 -1.615 -1.249
599 2HG2 ILE 73 3HG2 ILE 73 -3.918 -2.592 -0.234
600 3HG2 ILE 73 2HG2 ILE 73 -2.406 -1.961 0.417
601 1HD1 ILE 73 1HD1 ILE 73 -4.450 -4.085 -0.214
602 2HD1 ILE 73 3HD1 ILE 73 -4.279 -5.830 -0.030
603 3HD1 ILE 73 2HD1 ILE 73 -4.140 -4.777 1.378
604 H SER 74 H SER 74 -4.622 -5.321 -3.302
605 HA SER 74 HA SER 74 -6.200 -2.809 -3.700
606 1HB SER 74 2HB SER 74 -5.466 -4.937 -5.377
607 2HB SER 74 1HB SER 74 -7.162 -5.237 -5.009
608 HG SER 74 HG SER 74 -7.683 -3.256 -5.817
609 H GLU 75 H GLU 75 -7.887 -2.572 -2.265
610 HA GLU 75 HA GLU 75 -9.377 -4.997 -1.360
611 1HB GLU 75 2HB GLU 75 -7.877 -2.966 0.300
612 2HB GLU 75 1HB GLU 75 -9.241 -3.852 0.982
613 1HG GLU 75 2HG GLU 75 -8.143 -5.895 0.875
614 2HG GLU 75 1HG GLU 75 -7.081 -5.376 -0.434
615 H ASP 76 H ASP 76 -11.518 -4.561 -1.705
616 HA ASP 76 HA ASP 76 -12.533 -1.993 -2.431
617 1HB ASP 76 2HB ASP 76 -13.378 -4.573 -2.436
618 2HB ASP 76 1HB ASP 76 -14.332 -3.925 -1.101
619 H TYR 77 H TYR 77 -14.900 -2.251 -0.479
620 HA TYR 77 HA TYR 77 -13.854 -1.653 2.168
621 1HB TYR 77 2HB TYR 77 -13.488 0.315 0.294
622 2HB TYR 77 1HB TYR 77 -15.035 0.787 0.997
623 HD1 TYR 77 HD1 TYR 77 -14.959 0.165 3.749
624 HD2 TYR 77 HD2 TYR 77 -11.717 1.481 1.255
625 HE1 TYR 77 HE1 TYR 77 -13.780 1.045 5.746
626 HE2 TYR 77 HE2 TYR 77 -10.538 2.361 3.252
627 HH TYR 77 HH TYR 77 -12.027 2.839 6.202
628 H LYS 78 H LYS 78 -16.534 -0.454 0.096
629 HA LYS 78 HA LYS 78 -18.474 -0.897 2.260
630 1HB LYS 78 2HB LYS 78 -18.803 1.037 0.925
631 2HB LYS 78 1HB LYS 78 -18.516 0.154 -0.574
632 1HG LYS 78 2HG LYS 78 -20.623 -0.898 -0.500
633 2HG LYS 78 1HG LYS 78 -20.831 -0.562 1.220
634 1HD LYS 78 2HD LYS 78 -20.995 1.858 0.717
635 2HD LYS 78 1HD LYS 78 -20.828 1.503 -1.002
636 1HE LYS 78 2HE LYS 78 -22.886 -0.200 -0.073
637 2HE LYS 78 1HE LYS 78 -23.216 1.400 0.623
638 1HZ LYS 78 1HZ LYS 78 -22.670 2.311 -1.641
639 2HZ LYS 78 3HZ LYS 78 -22.742 0.721 -2.225
640 3HZ LYS 78 2HZ LYS 78 -24.124 1.437 -1.542
641 H THR 79 H THR 79 -18.165 -2.067 -1.117
642 HA THR 79 HA THR 79 -20.048 -4.257 -0.653
643 HB THR 79 HB THR 79 -18.188 -4.288 -2.966
644 HG1 THR 79 HG1 THR 79 -18.600 -2.334 -3.622
645 1HG2 THR 79 2HG2 THR 79 -20.317 -5.632 -2.705
646 2HG2 THR 79 1HG2 THR 79 -21.206 -4.114 -2.836
647 3HG2 THR 79 3HG2 THR 79 -20.221 -4.680 -4.185
648 H ARG 80 H ARG 80 -16.916 -3.780 0.348
649 HA ARG 80 HA ARG 80 -15.225 -5.235 1.095
650 1HB ARG 80 2HB ARG 80 -17.418 -7.317 0.840
651 2HB ARG 80 1HB ARG 80 -16.063 -7.322 1.970
652 1HG ARG 80 2HG ARG 80 -18.296 -5.269 1.928
653 2HG ARG 80 1HG ARG 80 -18.158 -6.602 3.076
654 1HD ARG 80 2HD ARG 80 -16.234 -5.676 4.103
655 2HD ARG 80 1HD ARG 80 -15.921 -4.592 2.732
656 HE ARG 80 HE ARG 80 -17.358 -3.080 3.829
657 1HH1 ARG 80 1HH2 ARG 80 -17.738 -5.962 5.469
658 2HH1 ARG 80 2HH2 ARG 80 -19.398 -5.714 5.898
659 1HH2 ARG 80 2HH1 ARG 80 -19.771 -2.907 3.897
660 2HH2 ARG 80 1HH1 ARG 80 -20.549 -3.985 5.008
661 H GLY 81 H GLY 81 -15.786 -4.858 -1.804
662 1HA GLY 81 2HA GLY 81 -15.719 -6.725 -3.664
663 2HA GLY 81 1HA GLY 81 -14.419 -5.544 -3.649
664 H ARG 82 H ARG 82 -12.467 -6.224 -2.149
665 HA ARG 82 HA ARG 82 -12.187 -9.102 -1.692
666 1HB ARG 82 2HB ARG 82 -11.547 -7.832 -4.247
667 2HB ARG 82 1HB ARG 82 -10.188 -8.733 -3.577
668 1HG ARG 82 2HG ARG 82 -12.344 -10.416 -3.120
669 2HG ARG 82 1HG ARG 82 -12.701 -9.727 -4.705
670 1HD ARG 82 2HD ARG 82 -10.366 -10.334 -5.431
671 2HD ARG 82 1HD ARG 82 -10.163 -11.181 -3.884
672 HE ARG 82 HE ARG 82 -12.304 -12.456 -4.578
673 1HH1 ARG 82 2HH1 ARG 82 -12.885 -11.283 -7.160
674 2HH1 ARG 82 1HH1 ARG 82 -12.021 -12.282 -8.281
675 1HH2 ARG 82 1HH2 ARG 82 -9.960 -13.669 -5.862
676 2HH2 ARG 82 2HH2 ARG 82 -10.365 -13.633 -7.546
677 H LYS 83 H LYS 83 -9.587 -9.506 -1.659
678 HA LYS 83 HA LYS 83 -8.134 -7.224 -0.441
679 1HB LYS 83 2HB LYS 83 -9.168 -9.689 0.929
680 2HB LYS 83 1HB LYS 83 -7.624 -9.022 1.457
681 1HG LYS 83 2HG LYS 83 -8.619 -7.277 2.491
682 2HG LYS 83 1HG LYS 83 -9.667 -6.959 1.110
683 1HD LYS 83 2HD LYS 83 -11.403 -8.006 2.091
684 2HD LYS 83 1HD LYS 83 -10.420 -9.431 2.433
685 1HE LYS 83 2HE LYS 83 -9.585 -7.297 4.179
686 2HE LYS 83 1HE LYS 83 -11.344 -7.504 4.305
687 1HZ LYS 83 1HZ LYS 83 -10.781 -9.997 4.273
688 2HZ LYS 83 3HZ LYS 83 -9.216 -9.510 4.709
689 3HZ LYS 83 2HZ LYS 83 -10.532 -9.136 5.717
690 H LEU 84 H LEU 84 -6.055 -7.341 -1.281
691 HA LEU 84 HA LEU 84 -4.601 -9.857 -1.456
692 1HB LEU 84 2HB LEU 84 -6.408 -9.687 -3.368
693 2HB LEU 84 1HB LEU 84 -5.245 -8.585 -4.105
694 HG LEU 84 HG LEU 84 -3.521 -10.293 -4.078
695 1HD1 LEU 84 2HD1 LEU 84 -5.574 -11.800 -2.462
696 2HD1 LEU 84 1HD1 LEU 84 -4.306 -12.656 -3.338
697 3HD1 LEU 84 3HD1 LEU 84 -3.880 -11.496 -2.079
698 1HD2 LEU 84 1HD2 LEU 84 -5.437 -10.278 -5.840
699 2HD2 LEU 84 3HD2 LEU 84 -4.397 -11.699 -5.755
700 3HD2 LEU 84 2HD2 LEU 84 -5.999 -11.734 -5.018
701 H LEU 85 H LEU 85 -2.480 -9.448 -2.774
702 HA LEU 85 HA LEU 85 -1.721 -6.619 -3.014
703 1HB LEU 85 2HB LEU 85 -0.492 -6.482 -1.080
704 2HB LEU 85 1HB LEU 85 -1.532 -7.795 -0.560
705 HG LEU 85 HG LEU 85 1.086 -8.323 -1.979
706 1HD1 LEU 85 2HD1 LEU 85 0.654 -7.235 0.672
707 2HD1 LEU 85 1HD1 LEU 85 1.399 -8.832 0.762
708 3HD1 LEU 85 3HD1 LEU 85 2.172 -7.550 -0.169
709 1HD2 LEU 85 3HD2 LEU 85 -0.753 -10.088 -1.699
710 2HD2 LEU 85 2HD2 LEU 85 0.832 -10.519 -1.061
711 3HD2 LEU 85 1HD2 LEU 85 -0.443 -9.990 0.033
712 H ARG 86 H ARG 86 0.699 -6.513 -3.731
713 HA ARG 86 HA ARG 86 1.460 -8.976 -5.247
714 1HB ARG 86 2HB ARG 86 1.430 -6.191 -6.430
715 2HB ARG 86 1HB ARG 86 1.589 -7.727 -7.283
716 1HG ARG 86 2HG ARG 86 -0.696 -8.338 -6.704
717 2HG ARG 86 1HG ARG 86 -0.869 -6.884 -5.721
718 1HD ARG 86 2HD ARG 86 -1.045 -5.490 -7.569
719 2HD ARG 86 1HD ARG 86 -0.069 -6.559 -8.595
720 HE ARG 86 HE ARG 86 -2.755 -7.474 -7.669
721 1HH1 ARG 86 1HH2 ARG 86 -0.407 -8.208 -9.840
722 2HH1 ARG 86 2HH2 ARG 86 -1.402 -8.148 -11.257
723 1HH2 ARG 86 2HH1 ARG 86 -4.101 -6.706 -9.627
724 2HH2 ARG 86 1HH1 ARG 86 -3.492 -7.297 -11.137
725 H PHE 87 H PHE 87 3.668 -8.350 -6.450
726 HA PHE 87 HA PHE 87 5.444 -6.625 -4.810
727 1HB PHE 87 2HB PHE 87 5.979 -9.585 -5.202
728 2HB PHE 87 1HB PHE 87 6.854 -8.466 -4.157
729 HD1 PHE 87 HD1 PHE 87 3.731 -10.386 -4.596
730 HD2 PHE 87 HD2 PHE 87 5.937 -7.754 -2.011
731 HE1 PHE 87 HE1 PHE 87 2.158 -10.886 -2.748
732 HE2 PHE 87 HE2 PHE 87 4.362 -8.258 -0.168
733 HZ PHE 87 HZ PHE 87 2.482 -9.818 -0.537
734 H ASN 88 H ASN 88 5.007 -5.865 -7.321
735 HA ASN 88 HA ASN 88 7.473 -6.682 -8.741
736 1HB ASN 88 2HB ASN 88 4.894 -6.768 -10.257
737 2HB ASN 88 1HB ASN 88 6.433 -7.539 -10.632
738 1HD2 ASN 88 2HD2 ASN 88 3.702 -9.533 -8.408
739 2HD2 ASN 88 1HD2 ASN 88 3.371 -8.010 -9.080
740 H GLY 89 H GLY 89 6.684 -5.567 -11.247
741 1HA GLY 89 2HA GLY 89 6.579 -3.470 -12.325
742 2HA GLY 89 1HA GLY 89 5.733 -2.847 -10.894
743 HA PRO 90 HA PRO 90 10.205 -2.933 -9.406
744 1HB PRO 90 2HB PRO 90 12.145 -3.977 -11.038
745 2HB PRO 90 1HB PRO 90 11.220 -4.944 -9.873
746 1HG PRO 90 2HG PRO 90 10.822 -4.635 -12.810
747 2HG PRO 90 1HG PRO 90 10.694 -6.085 -11.800
748 1HD PRO 90 2HD PRO 90 8.527 -4.703 -12.660
749 2HD PRO 90 1HD PRO 90 8.557 -5.584 -11.116
750 H VAL 91 HN VAL 91 12.466 -1.896 -10.158
751 HA VAL 91 HA VAL 91 11.862 0.616 -11.412
752 HB VAL 91 HB VAL 91 14.345 0.852 -11.100
753 1HG1 VAL 91 3HG1 VAL 91 12.345 0.664 -9.199
754 2HG1 VAL 91 2HG1 VAL 91 13.587 -0.419 -8.571
755 3HG1 VAL 91 1HG1 VAL 91 13.974 1.270 -8.902
756 1HG2 VAL 91 2HG2 VAL 91 14.150 -2.015 -11.146
757 2HG2 VAL 91 1HG2 VAL 91 15.604 -1.017 -11.111
758 3HG2 VAL 91 3HG2 VAL 91 14.835 -1.507 -9.602
No H/Q in entry = 758
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