Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
13383 | 1umq RC | 5920 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 22 1H LEU 22 22.592 18.477 14.789
2 H2 LEU 22 3H LEU 22 21.181 18.976 15.581
3 H3 LEU 22 2H LEU 22 22.539 19.987 15.559
4 HA LEU 22 HA LEU 22 23.788 18.388 16.836
5 1HB LEU 22 2HB LEU 22 22.451 18.590 18.978
6 2HB LEU 22 1HB LEU 22 22.815 20.082 18.140
7 HG LEU 22 HG LEU 22 20.424 19.817 17.141
8 1HD1 LEU 22 3HD1 LEU 22 20.196 18.111 19.616
9 2HD1 LEU 22 2HD1 LEU 22 18.852 18.705 18.640
10 3HD1 LEU 22 1HD1 LEU 22 20.002 17.561 17.949
11 1HD2 LEU 22 1HD2 LEU 22 20.894 20.552 20.026
12 2HD2 LEU 22 3HD2 LEU 22 21.105 21.608 18.630
13 3HD2 LEU 22 2HD2 LEU 22 19.498 21.029 19.059
14 H ALA 23 H ALA 23 24.045 16.404 17.684
15 HA ALA 23 HA ALA 23 23.826 14.174 17.950
16 1HB ALA 23 3HB ALA 23 20.873 14.762 18.119
17 2HB ALA 23 2HB ALA 23 21.664 13.264 18.612
18 3HB ALA 23 1HB ALA 23 22.013 14.769 19.467
19 H LYS 24 H LYS 24 22.560 12.181 17.065
20 HA LYS 24 HA LYS 24 21.756 12.583 14.277
21 1HB LYS 24 2HB LYS 24 23.757 10.525 15.239
22 2HB LYS 24 1HB LYS 24 23.044 10.541 13.635
23 1HG LYS 24 2HG LYS 24 24.052 12.794 13.289
24 2HG LYS 24 1HG LYS 24 24.885 12.594 14.832
25 1HD LYS 24 2HD LYS 24 26.384 11.968 13.054
26 2HD LYS 24 1HD LYS 24 25.918 10.516 13.945
27 1HE LYS 24 2HE LYS 24 24.250 10.002 12.221
28 2HE LYS 24 1HE LYS 24 24.730 11.445 11.328
29 1HZ LYS 24 2HZ LYS 24 26.995 10.464 11.193
30 2HZ LYS 24 1HZ LYS 24 26.381 9.035 11.867
31 3HZ LYS 24 3HZ LYS 24 25.813 9.576 10.363
32 H GLY 25 H GLY 25 21.388 9.864 13.687
33 1HA GLY 25 1HA GLY 25 19.959 8.547 15.786
34 2HA GLY 25 2HA GLY 25 20.040 8.046 14.102
35 H GLU 26 H GLU 26 18.144 9.441 16.523
36 HA GLU 26 HA GLU 26 15.978 9.728 14.574
37 1HB GLU 26 2HB GLU 26 14.466 9.584 16.495
38 2HB GLU 26 1HB GLU 26 15.570 8.218 16.446
39 1HG GLU 26 2HG GLU 26 16.942 9.270 18.176
40 2HG GLU 26 1HG GLU 26 15.824 10.634 18.222
41 H SER 27 H SER 27 18.164 11.650 16.175
42 HA SER 27 HA SER 27 16.429 13.897 16.656
43 1HB SER 27 2HB SER 27 19.450 13.693 16.646
44 2HB SER 27 1HB SER 27 18.528 15.104 17.169
45 HG SER 27 HG SER 27 17.873 14.065 18.936
46 H LEU 28 H LEU 28 18.004 12.585 13.958
47 HA LEU 28 HA LEU 28 17.440 15.039 12.447
48 1HB LEU 28 2HB LEU 28 19.954 14.476 12.970
49 2HB LEU 28 1HB LEU 28 19.757 13.291 11.697
50 HG LEU 28 HG LEU 28 19.275 16.250 11.348
51 1HD1 LEU 28 3HD1 LEU 28 21.661 14.574 10.592
52 2HD1 LEU 28 2HD1 LEU 28 21.407 16.263 10.150
53 3HD1 LEU 28 1HD1 LEU 28 21.612 15.813 11.843
54 1HD2 LEU 28 1HD2 LEU 28 18.028 14.852 9.777
55 2HD2 LEU 28 3HD2 LEU 28 19.317 15.737 8.964
56 3HD2 LEU 28 2HD2 LEU 28 19.517 14.022 9.326
57 HA PRO 29 HA PRO 29 14.479 11.993 10.793
58 1HB PRO 29 2HB PRO 29 14.633 14.297 8.886
59 2HB PRO 29 1HB PRO 29 13.221 13.375 9.414
60 1HG PRO 29 2HG PRO 29 13.910 15.756 10.510
61 2HG PRO 29 1HG PRO 29 13.078 14.478 11.413
62 1HD PRO 29 2HD PRO 29 15.781 15.485 11.761
63 2HD PRO 29 1HD PRO 29 14.875 14.346 12.771
64 HA PRO 30 HA PRO 30 17.191 10.318 7.575
65 1HB PRO 30 2HB PRO 30 15.860 7.813 7.941
66 2HB PRO 30 1HB PRO 30 17.473 8.264 8.490
67 1HG PRO 30 2HG PRO 30 15.335 7.733 10.150
68 2HG PRO 30 1HG PRO 30 16.757 8.687 10.607
69 1HD PRO 30 2HD PRO 30 14.050 9.613 9.726
70 2HD PRO 30 1HD PRO 30 15.114 10.272 10.991
71 HA PRO 31 HA PRO 31 14.046 10.642 4.359
72 1HB PRO 31 2HB PRO 31 16.238 9.759 2.602
73 2HB PRO 31 1HB PRO 31 15.318 11.263 2.568
74 1HG PRO 31 2HG PRO 31 17.883 11.206 3.342
75 2HG PRO 31 1HG PRO 31 16.709 12.311 4.082
76 1HD PRO 31 2HD PRO 31 17.777 9.711 5.115
77 2HD PRO 31 1HD PRO 31 17.488 11.233 5.985
78 HA PRO 32 HA PRO 32 12.975 6.391 3.383
79 1HB PRO 32 2HB PRO 32 12.189 6.512 0.798
80 2HB PRO 32 1HB PRO 32 11.216 7.147 2.126
81 1HG PRO 32 2HG PRO 32 13.014 8.606 0.230
82 2HG PRO 32 1HG PRO 32 11.401 9.060 0.815
83 1HD PRO 32 2HD PRO 32 13.670 10.125 1.835
84 2HD PRO 32 1HD PRO 32 12.214 9.865 2.814
85 H GLU 33 H GLU 33 15.608 6.588 3.416
86 HA GLU 33 HA GLU 33 17.058 6.127 1.052
87 1HB GLU 33 2HB GLU 33 17.736 5.157 3.834
88 2HB GLU 33 1HB GLU 33 18.861 5.425 2.511
89 1HG GLU 33 2HG GLU 33 17.205 7.623 3.712
90 2HG GLU 33 1HG GLU 33 18.801 7.181 4.315
91 H ASN 34 H ASN 34 15.353 3.958 3.211
92 HA ASN 34 HA ASN 34 16.507 1.597 1.980
93 1HB ASN 34 2HB ASN 34 14.381 1.846 4.121
94 2HB ASN 34 1HB ASN 34 15.142 0.346 3.610
95 1HD2 ASN 34 1HD2 ASN 34 17.786 1.496 3.343
96 2HD2 ASN 34 2HD2 ASN 34 18.359 1.776 4.955
97 HA PRO 35 HA PRO 35 13.418 1.016 -1.194
98 1HB PRO 35 2HB PRO 35 13.519 -1.797 -0.911
99 2HB PRO 35 1HB PRO 35 14.405 -0.815 -2.079
100 1HG PRO 35 2HG PRO 35 15.291 -1.883 0.558
101 2HG PRO 35 1HG PRO 35 16.222 -1.650 -0.935
102 1HD PRO 35 2HD PRO 35 16.525 0.028 1.101
103 2HD PRO 35 1HD PRO 35 16.456 0.643 -0.567
104 H MET 36 H MET 36 13.331 -1.079 1.688
105 HA MET 36 HA MET 36 10.438 -1.237 1.547
106 1HB MET 36 2HB MET 36 12.420 -2.453 3.473
107 2HB MET 36 1HB MET 36 10.680 -2.678 3.587
108 1HG MET 36 2HG MET 36 10.687 -3.716 1.362
109 2HG MET 36 1HG MET 36 12.440 -3.534 1.303
110 1HE MET 36 2HE MET 36 10.991 -6.277 0.818
111 2HE MET 36 1HE MET 36 12.750 -6.150 0.833
112 3HE MET 36 3HE MET 36 11.950 -7.394 1.792
113 H SER 37 H SER 37 10.288 1.128 1.811
114 HA SER 37 HA SER 37 10.795 2.292 4.369
115 1HB SER 37 2HB SER 37 10.618 3.615 2.256
116 2HB SER 37 1HB SER 37 8.896 3.231 2.195
117 HG SER 37 HG SER 37 8.784 5.042 3.285
118 H ALA 38 H ALA 38 8.944 3.213 5.694
119 HA ALA 38 HA ALA 38 7.550 0.983 6.715
120 1HB ALA 38 2HB ALA 38 8.337 2.821 8.133
121 2HB ALA 38 1HB ALA 38 7.179 3.907 7.360
122 3HB ALA 38 3HB ALA 38 6.604 2.546 8.323
123 H ASP 39 H ASP 39 6.560 3.807 4.835
124 HA ASP 39 HA ASP 39 3.836 2.861 4.817
125 1HB ASP 39 2HB ASP 39 4.735 5.361 4.792
126 2HB ASP 39 1HB ASP 39 4.705 5.091 3.050
127 H ARG 40 H ARG 40 6.652 2.828 2.837
128 HA ARG 40 HA ARG 40 5.534 2.301 0.338
129 1HB ARG 40 2HB ARG 40 7.953 2.830 0.837
130 2HB ARG 40 1HB ARG 40 8.140 1.168 1.372
131 1HG ARG 40 2HG ARG 40 7.138 1.795 -1.379
132 2HG ARG 40 1HG ARG 40 8.863 1.801 -1.011
133 1HD ARG 40 2HD ARG 40 8.707 -0.515 -0.240
134 2HD ARG 40 1HD ARG 40 6.978 -0.520 -0.590
135 HE ARG 40 HE ARG 40 8.497 0.193 -2.884
136 1HH1 ARG 40 1HH1 ARG 40 7.581 -2.571 -0.935
137 2HH1 ARG 40 2HH1 ARG 40 7.667 -3.692 -2.260
138 1HH2 ARG 40 1HH2 ARG 40 8.645 -1.265 -4.610
139 2HH2 ARG 40 2HH2 ARG 40 8.314 -2.957 -4.351
140 H VAL 41 H VAL 41 6.499 0.134 2.960
141 HA VAL 41 HA VAL 41 5.857 -2.297 1.723
142 HB VAL 41 HB VAL 41 5.791 -1.556 4.657
143 1HG1 VAL 41 1HG1 VAL 41 5.745 -4.287 3.378
144 2HG1 VAL 41 3HG1 VAL 41 5.936 -3.968 5.101
145 3HG1 VAL 41 2HG1 VAL 41 4.433 -3.536 4.286
146 1HG2 VAL 41 2HG2 VAL 41 7.983 -1.305 3.590
147 2HG2 VAL 41 1HG2 VAL 41 7.971 -2.629 4.754
148 3HG2 VAL 41 3HG2 VAL 41 7.894 -2.973 3.027
149 H ARG 42 H ARG 42 3.865 0.058 3.427
150 HA ARG 42 HA ARG 42 1.570 -1.589 3.676
151 1HB ARG 42 2HB ARG 42 1.740 1.427 3.575
152 2HB ARG 42 1HB ARG 42 0.327 0.504 4.069
153 1HG ARG 42 2HG ARG 42 1.877 -0.508 5.854
154 2HG ARG 42 1HG ARG 42 2.939 0.856 5.483
155 1HD ARG 42 2HD ARG 42 0.082 0.980 6.442
156 2HD ARG 42 1HD ARG 42 1.526 1.438 7.343
157 HE ARG 42 HE ARG 42 1.480 2.977 5.016
158 1HH1 ARG 42 1HH1 ARG 42 -0.450 2.576 7.926
159 2HH1 ARG 42 2HH1 ARG 42 -1.033 4.214 7.913
160 1HH2 ARG 42 1HH2 ARG 42 0.715 5.119 5.005
161 2HH2 ARG 42 2HH2 ARG 42 -0.382 5.650 6.248
162 H TRP 43 H TRP 43 2.472 0.915 1.293
163 HA TRP 43 HA TRP 43 0.140 0.765 -0.271
164 1HB TRP 43 2HB TRP 43 2.441 2.259 -0.353
165 2HB TRP 43 1HB TRP 43 2.651 1.229 -1.763
166 HD1 TRP 43 HD1 TRP 43 2.157 4.420 -1.876
167 HE1 TRP 43 HE1 TRP 43 0.216 5.323 -3.286
168 HE3 TRP 43 HE3 TRP 43 -0.755 0.227 -2.041
169 HZ2 TRP 43 HZ2 TRP 43 -2.244 4.412 -4.281
170 HZ3 TRP 43 HZ3 TRP 43 -2.898 0.341 -3.224
171 HH2 TRP 43 HH2 TRP 43 -3.626 2.385 -4.305
172 H GLU 44 H GLU 44 3.124 -1.121 -0.347
173 HA GLU 44 HA GLU 44 2.568 -2.567 -2.692
174 1HB GLU 44 2HB GLU 44 4.794 -2.544 -1.693
175 2HB GLU 44 1HB GLU 44 4.183 -3.387 -0.275
176 1HG GLU 44 2HG GLU 44 3.617 -5.314 -1.711
177 2HG GLU 44 1HG GLU 44 4.332 -4.465 -3.081
178 H HIS 45 H HIS 45 1.327 -2.876 0.582
179 HA HIS 45 HA HIS 45 0.523 -5.628 0.142
180 1HB HIS 45 2HB HIS 45 1.290 -4.661 2.395
181 2HB HIS 45 1HB HIS 45 -0.270 -3.855 2.459
182 HD1 HIS 45 HD1 HIS 45 1.392 -6.861 3.443
183 HD2 HIS 45 HD2 HIS 45 -2.505 -5.883 2.300
184 HE1 HIS 45 HE1 HIS 45 -0.058 -8.714 4.319
185 HE2 HIS 45 HE2 HIS 45 -2.413 -7.987 3.825
186 H ILE 46 H ILE 46 -0.710 -2.389 0.137
187 HA ILE 46 HA ILE 46 -3.462 -2.852 0.002
188 HB ILE 46 HB ILE 46 -2.050 -0.668 -1.531
189 1HG1 ILE 46 2HG1 ILE 46 -2.741 -0.750 1.406
190 2HG1 ILE 46 1HG1 ILE 46 -1.131 -0.613 0.711
191 1HG2 ILE 46 3HG2 ILE 46 -4.455 -0.939 -1.896
192 2HG2 ILE 46 2HG2 ILE 46 -4.714 -0.772 -0.157
193 3HG2 ILE 46 1HG2 ILE 46 -4.069 0.585 -1.087
194 1HD1 ILE 46 2HD1 ILE 46 -1.970 1.535 -0.362
195 2HD1 ILE 46 1HD1 ILE 46 -3.331 1.409 0.752
196 3HD1 ILE 46 3HD1 ILE 46 -1.688 1.544 1.388
197 H GLN 47 H GLN 47 -0.951 -2.996 -2.422
198 HA GLN 47 HA GLN 47 -2.749 -3.019 -4.646
199 1HB GLN 47 2HB GLN 47 0.204 -3.538 -4.374
200 2HB GLN 47 1HB GLN 47 -0.639 -3.730 -5.905
201 1HG GLN 47 2HG GLN 47 -0.549 -1.183 -4.297
202 2HG GLN 47 1HG GLN 47 0.482 -1.549 -5.681
203 1HE2 GLN 47 1HE2 GLN 47 -1.410 0.638 -5.372
204 2HE2 GLN 47 2HE2 GLN 47 -2.567 0.465 -6.651
205 H ARG 48 H ARG 48 -0.754 -5.467 -3.025
206 HA ARG 48 HA ARG 48 -1.454 -7.596 -4.704
207 1HB ARG 48 2HB ARG 48 -0.672 -9.056 -2.836
208 2HB ARG 48 1HB ARG 48 0.470 -7.800 -3.300
209 1HG ARG 48 2HG ARG 48 0.599 -7.604 -1.052
210 2HG ARG 48 1HG ARG 48 -0.749 -6.501 -1.344
211 1HD ARG 48 2HD ARG 48 -1.386 -7.899 0.460
212 2HD ARG 48 1HD ARG 48 -2.289 -8.449 -0.955
213 HE ARG 48 HE ARG 48 0.063 -9.805 0.219
214 1HH1 ARG 48 1HH1 ARG 48 -2.803 -9.886 -1.826
215 2HH1 ARG 48 2HH1 ARG 48 -2.763 -11.606 -2.015
216 1HH2 ARG 48 1HH2 ARG 48 0.126 -12.054 -0.071
217 2HH2 ARG 48 2HH2 ARG 48 -1.106 -12.848 -1.014
218 H ILE 49 H ILE 49 -3.152 -6.220 -1.955
219 HA ILE 49 HA ILE 49 -5.045 -8.411 -1.940
220 HB ILE 49 HB ILE 49 -4.664 -7.503 0.205
221 1HG1 ILE 49 2HG1 ILE 49 -6.881 -6.786 0.928
222 2HG1 ILE 49 1HG1 ILE 49 -7.309 -6.382 -0.733
223 1HG2 ILE 49 2HG2 ILE 49 -3.755 -5.368 -0.469
224 2HG2 ILE 49 1HG2 ILE 49 -5.373 -4.813 -0.901
225 3HG2 ILE 49 3HG2 ILE 49 -4.988 -5.178 0.780
226 1HD1 ILE 49 3HD1 ILE 49 -6.537 -9.153 0.103
227 2HD1 ILE 49 2HD1 ILE 49 -8.200 -8.564 0.156
228 3HD1 ILE 49 1HD1 ILE 49 -7.334 -8.641 -1.381
229 H TYR 50 H TYR 50 -4.947 -5.035 -2.987
230 HA TYR 50 HA TYR 50 -7.626 -4.722 -3.687
231 1HB TYR 50 2HB TYR 50 -5.711 -2.992 -3.594
232 2HB TYR 50 1HB TYR 50 -5.361 -3.487 -5.244
233 HD1 TYR 50 HD1 TYR 50 -6.327 -2.286 -6.955
234 HD2 TYR 50 HD2 TYR 50 -8.251 -2.351 -3.162
235 HE1 TYR 50 HE1 TYR 50 -7.992 -0.675 -7.778
236 HE2 TYR 50 HE2 TYR 50 -9.923 -0.743 -3.974
237 HH TYR 50 HH TYR 50 -10.260 0.872 -5.668
238 H GLU 51 H GLU 51 -4.970 -6.240 -5.390
239 HA GLU 51 HA GLU 51 -6.340 -6.628 -7.852
240 1HB GLU 51 2HB GLU 51 -3.975 -8.074 -6.649
241 2HB GLU 51 1HB GLU 51 -4.540 -8.294 -8.299
242 1HG GLU 51 2HG GLU 51 -3.572 -5.685 -7.146
243 2HG GLU 51 1HG GLU 51 -2.596 -6.791 -8.110
244 H MET 52 H MET 52 -5.822 -8.711 -5.003
245 HA MET 52 HA MET 52 -7.007 -10.974 -6.284
246 1HB MET 52 2HB MET 52 -6.633 -12.176 -4.249
247 2HB MET 52 1HB MET 52 -5.230 -11.167 -4.556
248 1HG MET 52 2HG MET 52 -6.030 -9.558 -2.898
249 2HG MET 52 1HG MET 52 -7.437 -10.572 -2.596
250 1HE MET 52 3HE MET 52 -7.241 -13.081 -1.642
251 2HE MET 52 2HE MET 52 -6.005 -13.497 -2.828
252 3HE MET 52 1HE MET 52 -5.724 -13.809 -1.116
253 H CYS 53 H CYS 53 -8.233 -8.486 -4.117
254 HA CYS 53 HA CYS 53 -10.718 -9.956 -3.744
255 1HB CYS 53 2HB CYS 53 -11.384 -8.059 -2.333
256 2HB CYS 53 1HB CYS 53 -9.817 -8.701 -1.849
257 HG CYS 53 HG CYS 53 -8.332 -6.617 -2.522
258 H ASP 54 H ASP 54 -9.464 -8.274 -6.179
259 HA ASP 54 HA ASP 54 -10.192 -7.103 -7.963
260 1HB ASP 54 2HB ASP 54 -11.664 -9.142 -8.120
261 2HB ASP 54 1HB ASP 54 -12.929 -8.207 -7.328
262 H ARG 55 H ARG 55 -9.765 -5.393 -6.184
263 HA ARG 55 HA ARG 55 -10.090 -3.195 -5.791
264 1HB ARG 55 2HB ARG 55 -12.506 -3.557 -7.549
265 2HB ARG 55 1HB ARG 55 -11.942 -2.004 -6.946
266 1HG ARG 55 2HG ARG 55 -9.757 -2.447 -8.059
267 2HG ARG 55 1HG ARG 55 -10.481 -3.884 -8.784
268 1HD ARG 55 2HD ARG 55 -11.592 -1.108 -9.087
269 2HD ARG 55 1HD ARG 55 -10.470 -1.842 -10.231
270 HE ARG 55 HE ARG 55 -12.957 -3.279 -9.658
271 1HH1 ARG 55 1HH1 ARG 55 -11.033 -1.321 -11.832
272 2HH1 ARG 55 2HH1 ARG 55 -12.066 -1.589 -13.202
273 1HH2 ARG 55 1HH2 ARG 55 -14.274 -3.720 -11.490
274 2HH2 ARG 55 2HH2 ARG 55 -13.903 -2.968 -13.013
275 H ASN 56 H ASN 56 -11.509 -5.417 -4.181
276 HA ASN 56 HA ASN 56 -13.656 -3.969 -2.924
277 1HB ASN 56 2HB ASN 56 -13.591 -6.456 -2.937
278 2HB ASN 56 1HB ASN 56 -12.159 -6.405 -1.915
279 1HD2 ASN 56 1HD2 ASN 56 -14.730 -7.636 -1.388
280 2HD2 ASN 56 2HD2 ASN 56 -15.333 -6.901 0.065
281 H VAL 57 H VAL 57 -13.063 -2.098 -2.038
282 HA VAL 57 HA VAL 57 -10.528 -1.559 -0.924
283 HB VAL 57 HB VAL 57 -13.104 -0.043 -0.489
284 1HG1 VAL 57 3HG1 VAL 57 -10.232 0.836 -0.215
285 2HG1 VAL 57 2HG1 VAL 57 -11.643 1.886 -0.082
286 3HG1 VAL 57 1HG1 VAL 57 -11.385 0.602 1.098
287 1HG2 VAL 57 3HG2 VAL 57 -12.611 -0.328 -2.864
288 2HG2 VAL 57 2HG2 VAL 57 -12.393 1.351 -2.365
289 3HG2 VAL 57 1HG2 VAL 57 -10.987 0.312 -2.609
290 H SER 58 H SER 58 -13.469 -2.828 0.446
291 HA SER 58 HA SER 58 -12.881 -2.231 3.162
292 1HB SER 58 2HB SER 58 -14.677 -4.393 2.035
293 2HB SER 58 1HB SER 58 -14.684 -3.796 3.697
294 HG SER 58 HG SER 58 -14.899 -1.760 1.930
295 H GLU 59 H GLU 59 -12.490 -5.194 1.198
296 HA GLU 59 HA GLU 59 -11.256 -6.728 3.217
297 1HB GLU 59 2HB GLU 59 -12.125 -7.675 1.068
298 2HB GLU 59 1HB GLU 59 -10.777 -6.922 0.227
299 1HG GLU 59 2HG GLU 59 -10.276 -9.236 0.563
300 2HG GLU 59 1HG GLU 59 -9.213 -8.285 1.603
301 H THR 60 H THR 60 -9.979 -4.554 0.771
302 HA THR 60 HA THR 60 -7.264 -5.058 1.140
303 HB THR 60 HB THR 60 -8.504 -2.408 0.366
304 HG1 THR 60 HG1 THR 60 -9.304 -3.999 -1.026
305 1HG2 THR 60 3HG2 THR 60 -6.077 -2.358 0.870
306 2HG2 THR 60 2HG2 THR 60 -5.833 -3.639 -0.324
307 3HG2 THR 60 1HG2 THR 60 -6.422 -2.057 -0.839
308 H ALA 61 H ALA 61 -9.263 -2.466 2.583
309 HA ALA 61 HA ALA 61 -7.221 -1.360 4.186
310 1HB ALA 61 3HB ALA 61 -10.216 -1.382 4.626
311 2HB ALA 61 2HB ALA 61 -9.063 -0.311 5.431
312 3HB ALA 61 1HB ALA 61 -9.308 -0.195 3.687
313 H ARG 62 H ARG 62 -9.451 -4.037 4.763
314 HA ARG 62 HA ARG 62 -8.867 -4.204 7.570
315 1HB ARG 62 2HB ARG 62 -11.000 -5.005 6.555
316 2HB ARG 62 1HB ARG 62 -10.101 -6.281 5.750
317 1HG ARG 62 2HG ARG 62 -11.242 -7.098 7.743
318 2HG ARG 62 1HG ARG 62 -9.489 -7.236 7.900
319 1HD ARG 62 2HD ARG 62 -10.391 -4.690 8.887
320 2HD ARG 62 1HD ARG 62 -11.276 -6.002 9.670
321 HE ARG 62 HE ARG 62 -8.645 -6.778 9.739
322 1HH1 ARG 62 1HH1 ARG 62 -10.482 -4.032 10.913
323 2HH1 ARG 62 2HH1 ARG 62 -9.414 -3.738 12.260
324 1HH2 ARG 62 1HH2 ARG 62 -7.243 -6.393 11.495
325 2HH2 ARG 62 2HH2 ARG 62 -7.575 -5.087 12.587
326 H ARG 63 H ARG 63 -7.640 -5.572 4.634
327 HA ARG 63 HA ARG 63 -5.975 -7.541 5.941
328 1HB ARG 63 2HB ARG 63 -7.073 -7.756 3.671
329 2HB ARG 63 1HB ARG 63 -5.903 -6.591 3.078
330 1HG ARG 63 2HG ARG 63 -4.118 -8.079 3.365
331 2HG ARG 63 1HG ARG 63 -5.079 -9.161 4.383
332 1HD ARG 63 2HD ARG 63 -6.500 -9.714 2.507
333 2HD ARG 63 1HD ARG 63 -5.636 -8.567 1.487
334 HE ARG 63 HE ARG 63 -3.925 -10.072 1.259
335 1HH1 ARG 63 1HH1 ARG 63 -6.220 -11.221 3.636
336 2HH1 ARG 63 2HH1 ARG 63 -5.550 -12.825 3.694
337 1HH2 ARG 63 1HH2 ARG 63 -3.060 -12.197 1.307
338 2HH2 ARG 63 2HH2 ARG 63 -3.780 -13.397 2.341
339 H LEU 64 H LEU 64 -5.803 -4.258 5.089
340 HA LEU 64 HA LEU 64 -2.892 -4.126 5.295
341 1HB LEU 64 2HB LEU 64 -5.058 -2.293 4.403
342 2HB LEU 64 1HB LEU 64 -3.637 -1.552 5.106
343 HG LEU 64 HG LEU 64 -3.574 -1.655 2.613
344 1HD1 LEU 64 3HD1 LEU 64 -1.486 -3.262 4.094
345 2HD1 LEU 64 2HD1 LEU 64 -1.288 -2.561 2.489
346 3HD1 LEU 64 1HD1 LEU 64 -1.517 -1.511 3.888
347 1HD2 LEU 64 2HD2 LEU 64 -3.511 -4.626 3.130
348 2HD2 LEU 64 1HD2 LEU 64 -4.727 -3.726 2.225
349 3HD2 LEU 64 3HD2 LEU 64 -3.084 -3.866 1.594
350 H ASN 65 H ASN 65 -5.563 -4.123 7.262
351 HA ASN 65 HA ASN 65 -6.043 -3.569 9.400
352 1HB ASN 65 2HB ASN 65 -3.768 -4.622 9.783
353 2HB ASN 65 1HB ASN 65 -3.098 -2.995 9.779
354 1HD2 ASN 65 1HD2 ASN 65 -3.086 -4.956 11.880
355 2HD2 ASN 65 2HD2 ASN 65 -3.888 -4.235 13.239
356 H MET 66 H MET 66 -7.047 -1.751 8.213
357 HA MET 66 HA MET 66 -6.370 0.770 9.443
358 1HB MET 66 2HB MET 66 -5.653 1.958 7.604
359 2HB MET 66 1HB MET 66 -4.963 0.386 7.231
360 1HG MET 66 2HG MET 66 -7.505 0.314 6.137
361 2HG MET 66 1HG MET 66 -6.899 1.932 5.782
362 1HE MET 66 1HE MET 66 -4.867 2.480 4.318
363 2HE MET 66 3HE MET 66 -3.816 1.606 5.446
364 3HE MET 66 2HE MET 66 -3.722 1.262 3.712
365 H HIS 67 H HIS 67 -7.857 2.492 8.518
366 HA HIS 67 HA HIS 67 -10.553 1.471 8.604
367 1HB HIS 67 2HB HIS 67 -9.212 3.787 9.384
368 2HB HIS 67 1HB HIS 67 -10.247 4.314 8.058
369 HD1 HIS 67 HD1 HIS 67 -10.358 2.972 11.550
370 HD2 HIS 67 HD2 HIS 67 -12.985 4.320 8.630
371 HE1 HIS 67 HE1 HIS 67 -12.581 3.226 12.701
372 HE2 HIS 67 HE2 HIS 67 -14.190 3.825 10.859
373 H ARG 68 H ARG 68 -12.143 1.907 6.944
374 HA ARG 68 HA ARG 68 -11.302 1.295 4.361
375 1HB ARG 68 2HB ARG 68 -13.646 1.130 5.456
376 2HB ARG 68 1HB ARG 68 -13.863 2.783 4.906
377 1HG ARG 68 2HG ARG 68 -13.111 0.564 3.029
378 2HG ARG 68 1HG ARG 68 -14.786 0.925 3.439
379 1HD ARG 68 2HD ARG 68 -12.844 2.911 2.267
380 2HD ARG 68 1HD ARG 68 -14.004 1.977 1.326
381 HE ARG 68 HE ARG 68 -15.194 3.502 3.459
382 1HH1 ARG 68 1HH1 ARG 68 -14.242 3.461 0.092
383 2HH1 ARG 68 2HH1 ARG 68 -15.225 4.827 -0.333
384 1HH2 ARG 68 1HH2 ARG 68 -16.542 5.281 2.874
385 2HH2 ARG 68 2HH2 ARG 68 -16.525 5.852 1.229
386 H ARG 69 H ARG 69 -11.957 4.412 5.864
387 HA ARG 69 HA ARG 69 -11.703 6.054 3.605
388 1HB ARG 69 2HB ARG 69 -10.964 6.672 6.470
389 2HB ARG 69 1HB ARG 69 -11.186 7.863 5.198
390 1HG ARG 69 2HG ARG 69 -13.304 6.015 6.270
391 2HG ARG 69 1HG ARG 69 -13.131 7.729 6.653
392 1HD ARG 69 2HD ARG 69 -13.460 8.270 4.273
393 2HD ARG 69 1HD ARG 69 -13.685 6.554 3.932
394 HE ARG 69 HE ARG 69 -15.556 6.948 5.787
395 1HH1 ARG 69 1HH1 ARG 69 -14.718 8.802 2.949
396 2HH1 ARG 69 2HH1 ARG 69 -16.311 9.464 2.732
397 1HH2 ARG 69 1HH2 ARG 69 -17.674 7.772 5.510
398 2HH2 ARG 69 2HH2 ARG 69 -18.008 8.841 4.180
399 H THR 70 H THR 70 -9.275 4.697 5.773
400 HA THR 70 HA THR 70 -7.040 6.151 4.906
401 HB THR 70 HB THR 70 -6.920 3.278 5.779
402 HG1 THR 70 HG1 THR 70 -7.431 5.638 7.290
403 1HG2 THR 70 3HG2 THR 70 -5.082 5.644 6.202
404 2HG2 THR 70 2HG2 THR 70 -4.808 4.007 6.804
405 3HG2 THR 70 1HG2 THR 70 -4.817 4.318 5.067
406 H LEU 71 H LEU 71 -8.197 2.965 3.877
407 HA LEU 71 HA LEU 71 -6.340 2.540 1.821
408 1HB LEU 71 2HB LEU 71 -8.273 1.064 2.941
409 2HB LEU 71 1HB LEU 71 -9.154 1.584 1.521
410 HG LEU 71 HG LEU 71 -8.162 -0.613 1.198
411 1HD1 LEU 71 1HD1 LEU 71 -8.420 0.809 -0.745
412 2HD1 LEU 71 3HD1 LEU 71 -6.820 1.490 -0.476
413 3HD1 LEU 71 2HD1 LEU 71 -6.993 -0.215 -0.893
414 1HD2 LEU 71 1HD2 LEU 71 -6.228 -0.159 2.756
415 2HD2 LEU 71 3HD2 LEU 71 -5.847 -1.050 1.282
416 3HD2 LEU 71 2HD2 LEU 71 -5.450 0.668 1.405
417 H GLN 72 H GLN 72 -9.537 4.050 1.824
418 HA GLN 72 HA GLN 72 -9.784 4.509 -0.933
419 1HB GLN 72 2HB GLN 72 -11.656 4.689 0.655
420 2HB GLN 72 1HB GLN 72 -10.925 6.137 1.339
421 1HG GLN 72 2HG GLN 72 -11.141 7.259 -0.823
422 2HG GLN 72 1HG GLN 72 -11.893 5.809 -1.486
423 1HE2 GLN 72 1HE2 GLN 72 -13.783 6.819 -1.983
424 2HE2 GLN 72 2HE2 GLN 72 -14.922 7.337 -0.786
425 H ARG 73 H ARG 73 -8.569 6.673 1.620
426 HA ARG 73 HA ARG 73 -8.077 8.837 -0.100
427 1HB ARG 73 2HB ARG 73 -8.161 8.925 2.408
428 2HB ARG 73 1HB ARG 73 -6.558 8.202 2.433
429 1HG ARG 73 2HG ARG 73 -6.500 10.646 2.711
430 2HG ARG 73 1HG ARG 73 -5.634 10.109 1.270
431 1HD ARG 73 2HD ARG 73 -7.021 12.098 0.833
432 2HD ARG 73 1HD ARG 73 -7.517 10.705 -0.129
433 HE ARG 73 HE ARG 73 -8.973 10.978 2.340
434 1HH1 ARG 73 1HH1 ARG 73 -8.858 11.919 -1.045
435 2HH1 ARG 73 2HH1 ARG 73 -10.551 12.312 -1.110
436 1HH2 ARG 73 1HH2 ARG 73 -11.155 11.530 2.254
437 2HH2 ARG 73 2HH2 ARG 73 -11.858 12.125 0.778
438 H ILE 74 H ILE 74 -6.075 6.113 0.866
439 HA ILE 74 HA ILE 74 -3.678 6.923 -0.347
440 HB ILE 74 HB ILE 74 -4.783 4.189 0.278
441 1HG1 ILE 74 2HG1 ILE 74 -2.542 5.718 1.597
442 2HG1 ILE 74 1HG1 ILE 74 -4.218 5.845 2.117
443 1HG2 ILE 74 2HG2 ILE 74 -3.145 4.081 -1.587
444 2HG2 ILE 74 1HG2 ILE 74 -1.941 4.822 -0.527
445 3HG2 ILE 74 3HG2 ILE 74 -2.622 3.238 -0.128
446 1HD1 ILE 74 3HD1 ILE 74 -2.617 3.301 2.058
447 2HD1 ILE 74 2HD1 ILE 74 -2.912 4.295 3.486
448 3HD1 ILE 74 1HD1 ILE 74 -4.262 3.499 2.672
449 H LEU 75 H LEU 75 -6.427 5.059 -1.605
450 HA LEU 75 HA LEU 75 -5.356 4.691 -4.226
451 1HB LEU 75 2HB LEU 75 -8.263 4.835 -3.407
452 2HB LEU 75 1HB LEU 75 -7.628 4.123 -4.873
453 HG LEU 75 HG LEU 75 -7.048 3.063 -2.112
454 1HD1 LEU 75 2HD1 LEU 75 -9.459 2.976 -2.672
455 2HD1 LEU 75 1HD1 LEU 75 -9.058 2.078 -4.138
456 3HD1 LEU 75 3HD1 LEU 75 -8.722 1.374 -2.554
457 1HD2 LEU 75 2HD2 LEU 75 -6.660 1.887 -4.866
458 2HD2 LEU 75 1HD2 LEU 75 -5.384 2.463 -3.794
459 3HD2 LEU 75 3HD2 LEU 75 -6.350 1.059 -3.342
460 H ALA 76 H ALA 76 -7.322 7.125 -2.664
461 HA ALA 76 HA ALA 76 -8.225 8.369 -5.058
462 1HB ALA 76 1HB ALA 76 -9.402 9.852 -3.635
463 2HB ALA 76 3HB ALA 76 -9.433 8.264 -2.852
464 3HB ALA 76 2HB ALA 76 -8.324 9.514 -2.281
465 H LYS 77 H LYS 77 -5.428 8.849 -3.029
466 HA LYS 77 HA LYS 77 -4.901 11.453 -4.143
467 1HB LYS 77 2HB LYS 77 -2.710 11.277 -2.957
468 2HB LYS 77 1HB LYS 77 -4.124 11.147 -1.927
469 1HG LYS 77 2HG LYS 77 -2.733 9.523 -1.087
470 2HG LYS 77 1HG LYS 77 -3.778 8.602 -2.169
471 1HD LYS 77 2HD LYS 77 -2.095 8.432 -3.807
472 2HD LYS 77 1HD LYS 77 -1.117 9.688 -3.046
473 1HE LYS 77 2HE LYS 77 -1.745 7.030 -1.778
474 2HE LYS 77 1HE LYS 77 -0.270 7.370 -2.681
475 1HZ LYS 77 2HZ LYS 77 -1.139 8.871 -0.264
476 2HZ LYS 77 1HZ LYS 77 -0.007 7.607 -0.256
477 3HZ LYS 77 3HZ LYS 77 0.330 9.041 -1.091
478 H ARG 78 H ARG 78 -4.478 8.300 -5.271
479 HA ARG 78 HA ARG 78 -2.356 9.210 -7.099
480 1HB ARG 78 2HB ARG 78 -1.800 6.807 -7.432
481 2HB ARG 78 1HB ARG 78 -1.552 7.365 -5.786
482 1HG ARG 78 2HG ARG 78 -2.545 5.347 -5.409
483 2HG ARG 78 1HG ARG 78 -3.961 6.397 -5.423
484 1HD ARG 78 2HD ARG 78 -4.493 4.498 -6.737
485 2HD ARG 78 1HD ARG 78 -4.227 5.836 -7.854
486 HE ARG 78 HE ARG 78 -2.011 3.990 -7.303
487 1HH1 ARG 78 1HH1 ARG 78 -4.418 5.240 -9.520
488 2HH1 ARG 78 2HH1 ARG 78 -3.706 4.492 -10.923
489 1HH2 ARG 78 1HH2 ARG 78 -1.083 2.991 -9.130
490 2HH2 ARG 78 2HH2 ARG 78 -1.800 3.217 -10.696
491 H SER 79 H SER 79 -5.540 8.937 -7.009
492 HA SER 79 HA SER 79 -5.740 8.666 -9.890
493 1HB SER 79 2HB SER 79 -7.229 6.870 -7.962
494 2HB SER 79 1HB SER 79 -7.755 7.133 -9.623
495 HG SER 79 HG SER 79 -5.608 6.429 -10.255
496 HA PRO 80 HA PRO 80 -8.733 11.886 -9.225
497 1HB PRO 80 2HB PRO 80 -10.172 11.776 -11.485
498 2HB PRO 80 1HB PRO 80 -8.465 12.243 -11.511
499 1HG PRO 80 2HG PRO 80 -9.704 9.575 -12.099
500 2HG PRO 80 1HG PRO 80 -8.478 10.459 -13.029
501 1HD PRO 80 2HD PRO 80 -7.860 8.453 -11.307
502 2HD PRO 80 1HD PRO 80 -6.773 9.826 -11.611
503 H ARG 81 H ARG 81 -9.372 9.193 -8.151
504 HA ARG 81 HA ARG 81 -12.297 9.126 -8.461
505 1HB ARG 81 2HB ARG 81 -11.166 7.097 -9.234
506 2HB ARG 81 1HB ARG 81 -10.363 6.937 -7.677
507 1HG ARG 81 2HG ARG 81 -12.593 6.677 -6.618
508 2HG ARG 81 1HG ARG 81 -13.310 6.680 -8.231
509 1HD ARG 81 2HD ARG 81 -12.981 4.406 -7.378
510 2HD ARG 81 1HD ARG 81 -12.024 4.706 -8.829
511 HE ARG 81 HE ARG 81 -10.629 5.174 -6.335
512 1HH1 ARG 81 1HH1 ARG 81 -11.421 2.864 -8.852
513 2HH1 ARG 81 2HH1 ARG 81 -10.068 1.832 -8.498
514 1HH2 ARG 81 1HH2 ARG 81 -8.825 3.856 -5.911
515 2HH2 ARG 81 2HH2 ARG 81 -8.577 2.407 -6.831
No H/Q in entry = 515
Start of MODEL 2
1 H1 LEU 22 2H LEU 22 24.603 -5.964 4.476
2 H2 LEU 22 1H LEU 22 23.433 -6.565 3.403
3 H3 LEU 22 3H LEU 22 25.076 -6.691 3.018
4 HA LEU 22 HA LEU 22 24.181 -4.957 1.731
5 1HB LEU 22 2HB LEU 22 23.015 -3.080 2.647
6 2HB LEU 22 1HB LEU 22 22.214 -4.544 3.181
7 HG LEU 22 HG LEU 22 24.178 -3.087 4.940
8 1HD1 LEU 22 1HD1 LEU 22 21.202 -2.655 4.729
9 2HD1 LEU 22 3HD1 LEU 22 22.253 -1.992 5.982
10 3HD1 LEU 22 2HD1 LEU 22 22.461 -1.493 4.303
11 1HD2 LEU 22 2HD2 LEU 22 21.893 -4.972 5.524
12 2HD2 LEU 22 1HD2 LEU 22 23.611 -5.367 5.595
13 3HD2 LEU 22 3HD2 LEU 22 22.928 -4.198 6.726
14 H ALA 23 H ALA 23 24.894 -2.456 1.974
15 HA ALA 23 HA ALA 23 27.696 -2.526 2.247
16 1HB ALA 23 1HB ALA 23 25.888 -0.115 2.160
17 2HB ALA 23 2HB ALA 23 26.504 -0.982 0.753
18 3HB ALA 23 3HB ALA 23 27.620 -0.136 1.826
19 H LYS 24 H LYS 24 29.074 -1.784 3.804
20 HA LYS 24 HA LYS 24 27.977 -1.651 6.495
21 1HB LYS 24 2HB LYS 24 30.844 -1.601 5.524
22 2HB LYS 24 1HB LYS 24 30.344 -1.683 7.206
23 1HG LYS 24 2HG LYS 24 29.789 -3.768 5.107
24 2HG LYS 24 1HG LYS 24 31.033 -3.862 6.357
25 1HD LYS 24 2HD LYS 24 29.157 -3.617 8.044
26 2HD LYS 24 1HD LYS 24 28.043 -3.876 6.700
27 1HE LYS 24 2HE LYS 24 28.427 -5.973 7.823
28 2HE LYS 24 1HE LYS 24 29.170 -6.026 6.225
29 1HZ LYS 24 1HZ LYS 24 30.609 -5.475 8.771
30 2HZ LYS 24 3HZ LYS 24 30.613 -6.959 7.943
31 3HZ LYS 24 2HZ LYS 24 31.315 -5.587 7.234
32 H GLY 25 H GLY 25 27.828 0.126 7.719
33 1HA GLY 25 1HA GLY 25 29.368 2.495 7.148
34 2HA GLY 25 2HA GLY 25 28.212 2.291 8.455
35 H GLU 26 H GLU 26 26.761 1.299 5.672
36 HA GLU 26 HA GLU 26 25.807 3.968 4.941
37 1HB GLU 26 2HB GLU 26 25.691 1.314 3.503
38 2HB GLU 26 1HB GLU 26 24.869 2.763 2.931
39 1HG GLU 26 2HG GLU 26 27.832 2.605 3.421
40 2HG GLU 26 1HG GLU 26 27.073 2.315 1.857
41 H SER 27 H SER 27 25.020 2.383 7.299
42 HA SER 27 HA SER 27 23.176 2.338 8.608
43 1HB SER 27 2HB SER 27 22.437 4.363 7.351
44 2HB SER 27 1HB SER 27 21.604 3.305 6.212
45 HG SER 27 HG SER 27 20.476 2.474 8.149
46 H LEU 28 H LEU 28 22.569 0.419 9.205
47 HA LEU 28 HA LEU 28 21.705 -1.603 7.345
48 1HB LEU 28 2HB LEU 28 21.859 -1.516 10.361
49 2HB LEU 28 1HB LEU 28 21.241 -2.899 9.482
50 HG LEU 28 HG LEU 28 23.502 -3.003 8.314
51 1HD1 LEU 28 2HD1 LEU 28 24.263 -1.140 10.562
52 2HD1 LEU 28 1HD1 LEU 28 25.390 -1.991 9.506
53 3HD1 LEU 28 3HD1 LEU 28 24.304 -0.774 8.838
54 1HD2 LEU 28 2HD2 LEU 28 23.343 -3.468 11.286
55 2HD2 LEU 28 1HD2 LEU 28 22.846 -4.584 10.017
56 3HD2 LEU 28 3HD2 LEU 28 24.550 -4.168 10.205
57 HA PRO 29 HA PRO 29 17.306 -1.386 6.977
58 1HB PRO 29 2HB PRO 29 17.272 -3.479 9.121
59 2HB PRO 29 1HB PRO 29 16.294 -3.365 7.651
60 1HG PRO 29 2HG PRO 29 18.521 -4.906 7.811
61 2HG PRO 29 1HG PRO 29 17.972 -4.147 6.310
62 1HD PRO 29 2HD PRO 29 20.352 -3.570 7.868
63 2HD PRO 29 1HD PRO 29 19.881 -2.946 6.276
64 HA PRO 30 HA PRO 30 16.925 1.388 10.544
65 1HB PRO 30 2HB PRO 30 14.993 2.827 8.899
66 2HB PRO 30 1HB PRO 30 16.563 3.362 9.502
67 1HG PRO 30 2HG PRO 30 16.103 2.864 6.880
68 2HG PRO 30 1HG PRO 30 17.685 2.611 7.642
69 1HD PRO 30 2HD PRO 30 15.563 0.602 6.971
70 2HD PRO 30 1HD PRO 30 17.325 0.488 6.772
71 HA PRO 31 HA PRO 31 13.134 -0.474 12.198
72 1HB PRO 31 2HB PRO 31 14.049 1.234 14.452
73 2HB PRO 31 1HB PRO 31 13.533 -0.457 14.451
74 1HG PRO 31 2HG PRO 31 16.110 0.169 14.667
75 2HG PRO 31 1HG PRO 31 15.595 -1.222 13.696
76 1HD PRO 31 2HD PRO 31 16.464 1.496 12.803
77 2HD PRO 31 1HD PRO 31 16.808 -0.091 12.082
78 HA PRO 32 HA PRO 32 11.449 4.167 12.882
79 1HB PRO 32 2HB PRO 32 13.437 5.410 11.037
80 2HB PRO 32 1HB PRO 32 12.621 6.100 12.446
81 1HG PRO 32 2HG PRO 32 15.166 5.357 12.596
82 2HG PRO 32 1HG PRO 32 14.057 5.067 13.949
83 1HD PRO 32 2HD PRO 32 15.122 3.150 11.926
84 2HD PRO 32 1HD PRO 32 14.781 2.901 13.650
85 H GLU 33 H GLU 33 9.700 3.989 11.658
86 HA GLU 33 HA GLU 33 8.308 3.385 9.983
87 1HB GLU 33 2HB GLU 33 10.566 4.468 8.293
88 2HB GLU 33 1HB GLU 33 9.049 3.894 7.611
89 1HG GLU 33 2HG GLU 33 7.872 5.584 9.019
90 2HG GLU 33 1HG GLU 33 9.453 6.226 9.468
91 H ASN 34 H ASN 34 10.336 2.571 7.472
92 HA ASN 34 HA ASN 34 11.061 -0.074 8.380
93 1HB ASN 34 2HB ASN 34 8.971 0.355 6.227
94 2HB ASN 34 1HB ASN 34 9.884 -1.139 6.386
95 1HD2 ASN 34 1HD2 ASN 34 9.482 -2.497 8.150
96 2HD2 ASN 34 2HD2 ASN 34 8.035 -2.351 9.097
97 HA PRO 35 HA PRO 35 14.385 0.494 5.422
98 1HB PRO 35 2HB PRO 35 14.246 -2.126 4.382
99 2HB PRO 35 1HB PRO 35 15.309 -1.559 5.671
100 1HG PRO 35 2HG PRO 35 12.688 -2.956 5.857
101 2HG PRO 35 1HG PRO 35 14.111 -3.085 6.908
102 1HD PRO 35 2HD PRO 35 11.978 -1.718 7.714
103 2HD PRO 35 1HD PRO 35 13.617 -1.096 8.019
104 H MET 36 H MET 36 11.342 -1.022 4.578
105 HA MET 36 HA MET 36 11.638 -0.322 1.749
106 1HB MET 36 2HB MET 36 10.855 -2.611 2.508
107 2HB MET 36 1HB MET 36 9.394 -1.840 3.102
108 1HG MET 36 2HG MET 36 8.872 -2.772 1.004
109 2HG MET 36 1HG MET 36 8.986 -1.029 0.768
110 1HE MET 36 3HE MET 36 11.830 -3.710 1.163
111 2HE MET 36 2HE MET 36 10.628 -4.518 0.158
112 3HE MET 36 1HE MET 36 12.195 -4.078 -0.524
113 H SER 37 H SER 37 11.067 1.539 4.123
114 HA SER 37 HA SER 37 9.875 3.422 4.564
115 1HB SER 37 2HB SER 37 9.885 3.968 2.198
116 2HB SER 37 1HB SER 37 8.546 2.855 1.898
117 HG SER 37 HG SER 37 8.537 5.399 3.058
118 H ALA 38 H ALA 38 8.032 3.913 5.752
119 HA ALA 38 HA ALA 38 6.427 1.668 6.508
120 1HB ALA 38 1HB ALA 38 7.053 3.427 8.120
121 2HB ALA 38 3HB ALA 38 6.066 4.580 7.217
122 3HB ALA 38 2HB ALA 38 5.307 3.206 8.018
123 H ASP 39 H ASP 39 6.108 4.422 4.410
124 HA ASP 39 HA ASP 39 3.303 4.047 3.959
125 1HB ASP 39 2HB ASP 39 4.484 6.262 3.697
126 2HB ASP 39 1HB ASP 39 5.253 5.601 2.253
127 H ARG 40 H ARG 40 6.302 3.386 2.213
128 HA ARG 40 HA ARG 40 5.057 2.346 -0.079
129 1HB ARG 40 2HB ARG 40 7.793 2.583 0.910
130 2HB ARG 40 1HB ARG 40 7.524 1.181 -0.116
131 1HG ARG 40 2HG ARG 40 6.815 4.007 -0.884
132 2HG ARG 40 1HG ARG 40 8.308 3.185 -1.346
133 1HD ARG 40 2HD ARG 40 5.493 2.373 -2.066
134 2HD ARG 40 1HD ARG 40 6.714 3.035 -3.153
135 HE ARG 40 HE ARG 40 7.994 0.889 -2.336
136 1HH1 ARG 40 1HH1 ARG 40 4.631 1.215 -3.297
137 2HH1 ARG 40 2HH1 ARG 40 4.477 -0.455 -3.751
138 1HH2 ARG 40 1HH2 ARG 40 7.787 -1.296 -2.972
139 2HH2 ARG 40 2HH2 ARG 40 6.268 -1.888 -3.577
140 H VAL 41 H VAL 41 6.356 0.746 2.828
141 HA VAL 41 HA VAL 41 5.896 -1.904 1.956
142 HB VAL 41 HB VAL 41 7.222 -1.154 4.035
143 1HG1 VAL 41 2HG1 VAL 41 4.446 -1.177 5.213
144 2HG1 VAL 41 1HG1 VAL 41 5.942 -1.195 6.152
145 3HG1 VAL 41 3HG1 VAL 41 5.560 0.190 5.131
146 1HG2 VAL 41 3HG2 VAL 41 5.300 -3.465 4.248
147 2HG2 VAL 41 2HG2 VAL 41 6.887 -3.488 3.479
148 3HG2 VAL 41 1HG2 VAL 41 6.754 -3.252 5.222
149 H ARG 42 H ARG 42 3.871 0.558 3.267
150 HA ARG 42 HA ARG 42 1.659 -1.126 3.927
151 1HB ARG 42 2HB ARG 42 2.236 1.111 4.951
152 2HB ARG 42 1HB ARG 42 1.655 1.848 3.465
153 1HG ARG 42 2HG ARG 42 -0.544 0.986 3.832
154 2HG ARG 42 1HG ARG 42 0.019 0.065 5.230
155 1HD ARG 42 2HD ARG 42 -1.139 2.158 5.852
156 2HD ARG 42 1HD ARG 42 0.527 2.074 6.423
157 HE ARG 42 HE ARG 42 0.379 3.393 3.914
158 1HH1 ARG 42 1HH1 ARG 42 -0.209 3.859 7.335
159 2HH1 ARG 42 2HH1 ARG 42 0.033 5.585 7.266
160 1HH2 ARG 42 1HH2 ARG 42 0.741 5.657 3.828
161 2HH2 ARG 42 2HH2 ARG 42 0.578 6.598 5.276
162 H TRP 43 H TRP 43 2.415 1.174 1.340
163 HA TRP 43 HA TRP 43 0.095 0.883 -0.192
164 1HB TRP 43 2HB TRP 43 2.569 2.216 -0.422
165 2HB TRP 43 1HB TRP 43 2.432 1.221 -1.868
166 HD1 TRP 43 HD1 TRP 43 2.125 4.538 -1.515
167 HE1 TRP 43 HE1 TRP 43 0.096 5.609 -2.661
168 HE3 TRP 43 HE3 TRP 43 -0.815 0.402 -2.009
169 HZ2 TRP 43 HZ2 TRP 43 -2.425 4.822 -3.617
170 HZ3 TRP 43 HZ3 TRP 43 -3.033 0.651 -3.032
171 HH2 TRP 43 HH2 TRP 43 -3.814 2.813 -3.805
172 H GLU 44 H GLU 44 3.125 -0.938 -0.237
173 HA GLU 44 HA GLU 44 2.595 -2.548 -2.462
174 1HB GLU 44 2HB GLU 44 4.789 -2.288 -1.261
175 2HB GLU 44 1HB GLU 44 4.159 -3.336 0.001
176 1HG GLU 44 2HG GLU 44 5.586 -4.563 -1.521
177 2HG GLU 44 1HG GLU 44 3.923 -5.149 -1.603
178 H HIS 45 H HIS 45 1.255 -2.608 0.739
179 HA HIS 45 HA HIS 45 0.459 -5.399 0.599
180 1HB HIS 45 2HB HIS 45 1.087 -3.987 2.708
181 2HB HIS 45 1HB HIS 45 -0.538 -3.334 2.563
182 HD1 HIS 45 HD1 HIS 45 1.343 -6.063 3.975
183 HD2 HIS 45 HD2 HIS 45 -2.607 -5.424 2.786
184 HE1 HIS 45 HE1 HIS 45 -0.002 -7.847 5.127
185 HE2 HIS 45 HE2 HIS 45 -2.389 -7.340 4.538
186 H ILE 46 H ILE 46 -0.821 -2.171 0.348
187 HA ILE 46 HA ILE 46 -3.542 -2.736 -0.020
188 HB ILE 46 HB ILE 46 -2.098 -0.441 -1.342
189 1HG1 ILE 46 2HG1 ILE 46 -2.939 -0.657 1.540
190 2HG1 ILE 46 1HG1 ILE 46 -1.289 -0.529 0.954
191 1HG2 ILE 46 3HG2 ILE 46 -4.475 -0.759 -1.818
192 2HG2 ILE 46 2HG2 ILE 46 -4.805 -0.655 -0.079
193 3HG2 ILE 46 1HG2 ILE 46 -4.145 0.744 -0.940
194 1HD1 ILE 46 3HD1 ILE 46 -1.850 1.688 0.024
195 2HD1 ILE 46 2HD1 ILE 46 -3.450 1.548 0.747
196 3HD1 ILE 46 1HD1 ILE 46 -2.019 1.599 1.780
197 H GLN 47 H GLN 47 -0.799 -3.004 -2.047
198 HA GLN 47 HA GLN 47 -2.106 -2.726 -4.574
199 1HB GLN 47 2HB GLN 47 0.589 -3.018 -3.600
200 2HB GLN 47 1HB GLN 47 0.304 -4.208 -4.858
201 1HG GLN 47 2HG GLN 47 1.174 -2.394 -5.998
202 2HG GLN 47 1HG GLN 47 -0.562 -2.244 -6.249
203 1HE2 GLN 47 1HE2 GLN 47 -1.635 -0.500 -5.433
204 2HE2 GLN 47 2HE2 GLN 47 -0.837 0.835 -4.664
205 H ARG 48 H ARG 48 -0.853 -5.360 -2.615
206 HA ARG 48 HA ARG 48 -1.416 -7.356 -4.546
207 1HB ARG 48 2HB ARG 48 -0.667 -8.943 -2.871
208 2HB ARG 48 1HB ARG 48 0.430 -7.575 -2.958
209 1HG ARG 48 2HG ARG 48 0.280 -7.985 -0.705
210 2HG ARG 48 1HG ARG 48 -0.903 -6.694 -0.933
211 1HD ARG 48 2HD ARG 48 -1.603 -8.714 0.471
212 2HD ARG 48 1HD ARG 48 -2.702 -8.139 -0.788
213 HE ARG 48 HE ARG 48 -1.801 -9.966 -2.210
214 1HH1 ARG 48 1HH1 ARG 48 -1.541 -10.281 1.276
215 2HH1 ARG 48 2HH1 ARG 48 -1.416 -12.019 1.224
216 1HH2 ARG 48 1HH2 ARG 48 -1.667 -12.205 -2.277
217 2HH2 ARG 48 2HH2 ARG 48 -1.506 -13.119 -0.800
218 H ILE 49 H ILE 49 -3.200 -6.050 -1.838
219 HA ILE 49 HA ILE 49 -5.046 -8.279 -1.810
220 HB ILE 49 HB ILE 49 -4.600 -7.287 0.300
221 1HG1 ILE 49 2HG1 ILE 49 -6.858 -6.620 1.060
222 2HG1 ILE 49 1HG1 ILE 49 -7.366 -6.501 -0.622
223 1HG2 ILE 49 1HG2 ILE 49 -3.879 -5.125 -0.439
224 2HG2 ILE 49 3HG2 ILE 49 -5.539 -4.697 -0.856
225 3HG2 ILE 49 2HG2 ILE 49 -5.100 -4.985 0.828
226 1HD1 ILE 49 1HD1 ILE 49 -6.272 -9.024 0.556
227 2HD1 ILE 49 3HD1 ILE 49 -7.983 -8.608 0.620
228 3HD1 ILE 49 2HD1 ILE 49 -7.184 -8.817 -0.936
229 H TYR 50 H TYR 50 -4.931 -5.044 -3.132
230 HA TYR 50 HA TYR 50 -7.609 -4.620 -3.716
231 1HB TYR 50 2HB TYR 50 -5.588 -3.064 -4.087
232 2HB TYR 50 1HB TYR 50 -5.380 -3.901 -5.621
233 HD1 TYR 50 HD1 TYR 50 -8.006 -2.140 -3.652
234 HD2 TYR 50 HD2 TYR 50 -6.416 -3.020 -7.498
235 HE1 TYR 50 HE1 TYR 50 -9.632 -0.603 -4.662
236 HE2 TYR 50 HE2 TYR 50 -8.045 -1.492 -8.529
237 HH TYR 50 HH TYR 50 -9.876 0.728 -6.710
238 H GLU 51 H GLU 51 -5.163 -6.465 -5.427
239 HA GLU 51 HA GLU 51 -6.824 -7.195 -7.626
240 1HB GLU 51 2HB GLU 51 -4.286 -8.506 -6.663
241 2HB GLU 51 1HB GLU 51 -4.992 -8.621 -8.270
242 1HG GLU 51 2HG GLU 51 -4.632 -6.229 -8.607
243 2HG GLU 51 1HG GLU 51 -3.921 -6.110 -7.000
244 H MET 52 H MET 52 -6.183 -8.571 -4.475
245 HA MET 52 HA MET 52 -6.821 -11.258 -4.933
246 1HB MET 52 2HB MET 52 -7.254 -9.608 -2.444
247 2HB MET 52 1HB MET 52 -7.388 -11.354 -2.506
248 1HG MET 52 2HG MET 52 -4.891 -9.776 -3.072
249 2HG MET 52 1HG MET 52 -5.272 -10.581 -1.546
250 1HE MET 52 2HE MET 52 -5.509 -13.227 -1.293
251 2HE MET 52 1HE MET 52 -6.681 -13.272 -2.612
252 3HE MET 52 3HE MET 52 -5.293 -14.362 -2.626
253 H CYS 53 H CYS 53 -8.915 -8.664 -3.698
254 HA CYS 53 HA CYS 53 -11.206 -10.474 -3.965
255 1HB CYS 53 2HB CYS 53 -10.781 -9.345 -1.786
256 2HB CYS 53 1HB CYS 53 -11.045 -7.792 -2.573
257 HG CYS 53 HG CYS 53 -13.727 -8.446 -3.280
258 H ASP 54 H ASP 54 -9.689 -8.402 -5.881
259 HA ASP 54 HA ASP 54 -10.184 -7.269 -7.765
260 1HB ASP 54 2HB ASP 54 -11.628 -9.122 -8.373
261 2HB ASP 54 1HB ASP 54 -12.941 -8.453 -7.409
262 H ARG 55 H ARG 55 -9.782 -5.418 -6.415
263 HA ARG 55 HA ARG 55 -10.130 -3.199 -6.236
264 1HB ARG 55 2HB ARG 55 -12.519 -3.849 -7.923
265 2HB ARG 55 1HB ARG 55 -11.989 -2.209 -7.547
266 1HG ARG 55 2HG ARG 55 -9.994 -2.452 -8.725
267 2HG ARG 55 1HG ARG 55 -10.116 -4.212 -8.743
268 1HD ARG 55 2HD ARG 55 -10.636 -3.530 -10.904
269 2HD ARG 55 1HD ARG 55 -12.179 -3.902 -10.146
270 HE ARG 55 HE ARG 55 -11.225 -1.125 -10.296
271 1HH1 ARG 55 1HH1 ARG 55 -13.597 -3.581 -11.080
272 2HH1 ARG 55 2HH1 ARG 55 -14.730 -2.447 -11.749
273 1HH2 ARG 55 1HH2 ARG 55 -12.722 0.364 -11.195
274 2HH2 ARG 55 2HH2 ARG 55 -14.234 -0.219 -11.822
275 H ASN 56 H ASN 56 -11.705 -5.245 -4.424
276 HA ASN 56 HA ASN 56 -13.739 -3.501 -3.347
277 1HB ASN 56 2HB ASN 56 -12.727 -6.218 -2.535
278 2HB ASN 56 1HB ASN 56 -13.811 -5.298 -1.499
279 1HD2 ASN 56 1HD2 ASN 56 -15.922 -4.907 -2.179
280 2HD2 ASN 56 2HD2 ASN 56 -16.658 -5.822 -3.457
281 H VAL 57 H VAL 57 -13.254 -1.827 -2.176
282 HA VAL 57 HA VAL 57 -10.713 -1.350 -1.036
283 HB VAL 57 HB VAL 57 -13.335 0.037 -0.435
284 1HG1 VAL 57 2HG1 VAL 57 -11.618 0.508 1.241
285 2HG1 VAL 57 1HG1 VAL 57 -10.499 0.983 -0.036
286 3HG1 VAL 57 3HG1 VAL 57 -11.958 1.931 0.254
287 1HG2 VAL 57 3HG2 VAL 57 -11.212 0.644 -2.490
288 2HG2 VAL 57 2HG2 VAL 57 -12.859 0.099 -2.804
289 3HG2 VAL 57 1HG2 VAL 57 -12.577 1.693 -2.105
290 H SER 58 H SER 58 -13.726 -2.592 0.256
291 HA SER 58 HA SER 58 -13.201 -2.350 2.989
292 1HB SER 58 2HB SER 58 -14.792 -4.552 1.666
293 2HB SER 58 1HB SER 58 -14.968 -3.957 3.318
294 HG SER 58 HG SER 58 -15.996 -2.977 0.985
295 H GLU 59 H GLU 59 -12.603 -5.116 0.805
296 HA GLU 59 HA GLU 59 -11.449 -6.732 2.835
297 1HB GLU 59 2HB GLU 59 -12.442 -7.645 0.734
298 2HB GLU 59 1HB GLU 59 -11.096 -6.957 -0.165
299 1HG GLU 59 2HG GLU 59 -10.632 -9.258 0.141
300 2HG GLU 59 1HG GLU 59 -9.557 -8.375 1.228
301 H THR 60 H THR 60 -10.164 -4.540 0.397
302 HA THR 60 HA THR 60 -7.460 -5.040 0.713
303 HB THR 60 HB THR 60 -8.689 -2.301 0.306
304 HG1 THR 60 HG1 THR 60 -9.442 -3.627 -1.333
305 1HG2 THR 60 1HG2 THR 60 -5.967 -3.428 -0.396
306 2HG2 THR 60 3HG2 THR 60 -6.551 -1.819 -0.832
307 3HG2 THR 60 2HG2 THR 60 -6.292 -2.232 0.870
308 H ALA 61 H ALA 61 -9.454 -2.653 2.432
309 HA ALA 61 HA ALA 61 -7.480 -1.695 4.145
310 1HB ALA 61 2HB ALA 61 -10.456 -1.940 4.630
311 2HB ALA 61 1HB ALA 61 -9.352 -0.896 5.529
312 3HB ALA 61 3HB ALA 61 -9.639 -0.606 3.812
313 H ARG 62 H ARG 62 -9.533 -4.543 4.420
314 HA ARG 62 HA ARG 62 -8.991 -5.167 7.124
315 1HB ARG 62 2HB ARG 62 -10.857 -6.106 5.769
316 2HB ARG 62 1HB ARG 62 -9.685 -7.047 4.860
317 1HG ARG 62 2HG ARG 62 -10.702 -8.459 6.488
318 2HG ARG 62 1HG ARG 62 -9.029 -8.171 6.968
319 1HD ARG 62 2HD ARG 62 -9.702 -6.586 8.626
320 2HD ARG 62 1HD ARG 62 -11.366 -6.608 8.041
321 HE ARG 62 HE ARG 62 -10.123 -9.024 9.191
322 1HH1 ARG 62 1HH1 ARG 62 -12.647 -6.613 9.135
323 2HH1 ARG 62 2HH1 ARG 62 -13.662 -7.449 10.273
324 1HH2 ARG 62 1HH2 ARG 62 -11.460 -10.157 10.672
325 2HH2 ARG 62 2HH2 ARG 62 -12.984 -9.465 11.141
326 H ARG 63 H ARG 63 -7.286 -5.709 4.150
327 HA ARG 63 HA ARG 63 -5.539 -7.757 5.092
328 1HB ARG 63 2HB ARG 63 -6.213 -6.902 2.656
329 2HB ARG 63 1HB ARG 63 -4.753 -5.950 2.863
330 1HG ARG 63 2HG ARG 63 -4.035 -7.850 1.753
331 2HG ARG 63 1HG ARG 63 -3.622 -8.174 3.440
332 1HD ARG 63 2HD ARG 63 -5.365 -9.690 3.703
333 2HD ARG 63 1HD ARG 63 -6.247 -9.048 2.318
334 HE ARG 63 HE ARG 63 -4.314 -10.032 0.981
335 1HH1 ARG 63 1HH1 ARG 63 -5.545 -11.395 3.966
336 2HH1 ARG 63 2HH1 ARG 63 -5.106 -13.027 3.557
337 1HH2 ARG 63 1HH2 ARG 63 -3.759 -12.192 0.427
338 2HH2 ARG 63 2HH2 ARG 63 -4.113 -13.484 1.534
339 H LEU 64 H LEU 64 -5.116 -4.277 4.475
340 HA LEU 64 HA LEU 64 -2.451 -4.385 5.638
341 1HB LEU 64 2HB LEU 64 -2.770 -1.730 5.043
342 2HB LEU 64 1HB LEU 64 -2.033 -2.916 3.997
343 HG LEU 64 HG LEU 64 -3.628 -1.444 2.792
344 1HD1 LEU 64 2HD1 LEU 64 -4.246 -4.360 2.922
345 2HD1 LEU 64 1HD1 LEU 64 -4.989 -3.258 1.766
346 3HD1 LEU 64 3HD1 LEU 64 -3.244 -3.485 1.771
347 1HD2 LEU 64 2HD2 LEU 64 -5.596 -2.605 4.730
348 2HD2 LEU 64 1HD2 LEU 64 -5.178 -0.915 4.476
349 3HD2 LEU 64 3HD2 LEU 64 -6.048 -1.803 3.227
350 H ASN 65 H ASN 65 -5.254 -4.400 6.996
351 HA ASN 65 HA ASN 65 -6.012 -3.960 9.090
352 1HB ASN 65 2HB ASN 65 -3.533 -4.698 9.471
353 2HB ASN 65 1HB ASN 65 -3.270 -3.003 9.865
354 1HD2 ASN 65 1HD2 ASN 65 -4.236 -2.136 11.701
355 2HD2 ASN 65 2HD2 ASN 65 -4.859 -3.140 12.971
356 H MET 66 H MET 66 -6.354 -1.959 7.203
357 HA MET 66 HA MET 66 -5.869 0.540 8.688
358 1HB MET 66 2HB MET 66 -5.739 -0.165 5.816
359 2HB MET 66 1HB MET 66 -6.407 1.413 6.208
360 1HG MET 66 2HG MET 66 -4.429 2.198 7.047
361 2HG MET 66 1HG MET 66 -3.828 0.584 7.437
362 1HE MET 66 1HE MET 66 -4.951 2.806 4.348
363 2HE MET 66 3HE MET 66 -4.208 1.881 3.035
364 3HE MET 66 2HE MET 66 -5.504 1.163 3.988
365 H HIS 67 H HIS 67 -7.409 2.235 8.287
366 HA HIS 67 HA HIS 67 -10.111 1.294 8.647
367 1HB HIS 67 2HB HIS 67 -8.902 3.195 9.898
368 2HB HIS 67 1HB HIS 67 -9.168 4.154 8.450
369 HD1 HIS 67 HD1 HIS 67 -11.089 2.406 11.189
370 HD2 HIS 67 HD2 HIS 67 -11.655 5.289 8.249
371 HE1 HIS 67 HE1 HIS 67 -13.362 3.390 11.637
372 HE2 HIS 67 HE2 HIS 67 -13.735 5.051 9.772
373 H ARG 68 H ARG 68 -11.899 2.057 7.281
374 HA ARG 68 HA ARG 68 -11.444 1.529 4.588
375 1HB ARG 68 2HB ARG 68 -13.660 1.793 6.140
376 2HB ARG 68 1HB ARG 68 -13.776 3.238 5.145
377 1HG ARG 68 2HG ARG 68 -15.000 1.613 3.999
378 2HG ARG 68 1HG ARG 68 -13.451 1.694 3.152
379 1HD ARG 68 2HD ARG 68 -14.103 -0.622 3.466
380 2HD ARG 68 1HD ARG 68 -12.674 -0.264 4.435
381 HE ARG 68 HE ARG 68 -15.151 0.058 5.868
382 1HH1 ARG 68 1HH1 ARG 68 -12.663 -2.224 4.935
383 2HH1 ARG 68 2HH1 ARG 68 -13.008 -3.330 6.226
384 1HH2 ARG 68 1HH2 ARG 68 -15.608 -1.380 7.566
385 2HH2 ARG 68 2HH2 ARG 68 -14.699 -2.855 7.727
386 H ARG 69 H ARG 69 -11.953 4.697 6.146
387 HA ARG 69 HA ARG 69 -11.680 6.234 3.803
388 1HB ARG 69 2HB ARG 69 -11.188 6.981 6.684
389 2HB ARG 69 1HB ARG 69 -11.193 8.136 5.358
390 1HG ARG 69 2HG ARG 69 -13.530 7.363 4.843
391 2HG ARG 69 1HG ARG 69 -13.485 6.487 6.373
392 1HD ARG 69 2HD ARG 69 -12.972 8.616 7.523
393 2HD ARG 69 1HD ARG 69 -13.148 9.453 5.983
394 HE ARG 69 HE ARG 69 -15.437 7.867 6.787
395 1HH1 ARG 69 1HH1 ARG 69 -13.919 11.023 6.803
396 2HH1 ARG 69 2HH1 ARG 69 -15.390 11.880 7.156
397 1HH2 ARG 69 1HH2 ARG 69 -17.375 8.981 7.291
398 2HH2 ARG 69 2HH2 ARG 69 -17.359 10.718 7.434
399 H THR 70 H THR 70 -9.297 4.924 6.011
400 HA THR 70 HA THR 70 -7.025 6.347 5.190
401 HB THR 70 HB THR 70 -6.996 3.446 5.994
402 HG1 THR 70 HG1 THR 70 -6.667 4.769 8.163
403 1HG2 THR 70 3HG2 THR 70 -5.067 5.729 6.441
404 2HG2 THR 70 2HG2 THR 70 -4.860 4.082 7.037
405 3HG2 THR 70 1HG2 THR 70 -4.857 4.401 5.300
406 H LEU 71 H LEU 71 -8.339 3.258 4.056
407 HA LEU 71 HA LEU 71 -6.473 2.792 2.008
408 1HB LEU 71 2HB LEU 71 -8.477 1.365 3.040
409 2HB LEU 71 1HB LEU 71 -9.343 2.014 1.665
410 HG LEU 71 HG LEU 71 -8.499 -0.210 1.178
411 1HD1 LEU 71 1HD1 LEU 71 -7.031 1.929 -0.358
412 2HD1 LEU 71 3HD1 LEU 71 -7.238 0.256 -0.877
413 3HD1 LEU 71 2HD1 LEU 71 -8.644 1.302 -0.698
414 1HD2 LEU 71 1HD2 LEU 71 -6.596 -0.114 2.750
415 2HD2 LEU 71 3HD2 LEU 71 -6.165 -0.746 1.165
416 3HD2 LEU 71 2HD2 LEU 71 -5.737 0.910 1.600
417 H GLN 72 H GLN 72 -9.563 4.495 2.032
418 HA GLN 72 HA GLN 72 -9.868 4.848 -0.729
419 1HB GLN 72 2HB GLN 72 -11.678 5.196 0.923
420 2HB GLN 72 1HB GLN 72 -10.866 6.651 1.485
421 1HG GLN 72 2HG GLN 72 -12.636 7.292 0.025
422 2HG GLN 72 1HG GLN 72 -11.106 7.604 -0.795
423 1HE2 GLN 72 1HE2 GLN 72 -11.926 7.519 -2.847
424 2HE2 GLN 72 2HE2 GLN 72 -12.495 6.046 -3.576
425 H ARG 73 H ARG 73 -8.434 7.055 1.681
426 HA ARG 73 HA ARG 73 -7.882 9.127 -0.158
427 1HB ARG 73 2HB ARG 73 -7.882 9.502 2.265
428 2HB ARG 73 1HB ARG 73 -6.481 8.452 2.440
429 1HG ARG 73 2HG ARG 73 -5.736 10.713 2.530
430 2HG ARG 73 1HG ARG 73 -5.205 10.013 0.999
431 1HD ARG 73 2HD ARG 73 -6.068 12.272 0.680
432 2HD ARG 73 1HD ARG 73 -7.065 11.077 -0.151
433 HE ARG 73 HE ARG 73 -8.097 11.614 2.437
434 1HH1 ARG 73 1HH1 ARG 73 -7.859 12.970 -0.780
435 2HH1 ARG 73 2HH1 ARG 73 -9.293 13.949 -0.607
436 1HH2 ARG 73 1HH2 ARG 73 -9.988 12.880 2.667
437 2HH2 ARG 73 2HH2 ARG 73 -10.515 13.871 1.336
438 H ILE 74 H ILE 74 -5.847 6.561 1.152
439 HA ILE 74 HA ILE 74 -3.483 7.152 -0.212
440 HB ILE 74 HB ILE 74 -4.627 4.594 0.888
441 1HG1 ILE 74 2HG1 ILE 74 -2.290 6.203 1.890
442 2HG1 ILE 74 1HG1 ILE 74 -3.949 6.581 2.347
443 1HG2 ILE 74 1HG2 ILE 74 -1.910 5.012 -0.344
444 2HG2 ILE 74 3HG2 ILE 74 -2.301 3.680 0.744
445 3HG2 ILE 74 2HG2 ILE 74 -3.143 3.823 -0.795
446 1HD1 ILE 74 3HD1 ILE 74 -2.540 3.970 2.832
447 2HD1 ILE 74 2HD1 ILE 74 -2.852 5.227 4.031
448 3HD1 ILE 74 1HD1 ILE 74 -4.202 4.358 3.292
449 H LEU 75 H LEU 75 -6.097 4.920 -1.029
450 HA LEU 75 HA LEU 75 -5.037 3.905 -3.418
451 1HB LEU 75 2HB LEU 75 -6.979 3.087 -1.951
452 2HB LEU 75 1HB LEU 75 -7.963 4.250 -2.812
453 HG LEU 75 HG LEU 75 -7.382 3.063 -4.933
454 1HD1 LEU 75 1HD1 LEU 75 -6.178 1.073 -3.023
455 2HD1 LEU 75 3HD1 LEU 75 -6.512 0.762 -4.728
456 3HD1 LEU 75 2HD1 LEU 75 -5.331 1.989 -4.270
457 1HD2 LEU 75 2HD2 LEU 75 -8.740 1.439 -2.786
458 2HD2 LEU 75 1HD2 LEU 75 -9.496 2.683 -3.786
459 3HD2 LEU 75 3HD2 LEU 75 -8.907 1.193 -4.526
460 H ALA 76 H ALA 76 -7.022 6.726 -2.735
461 HA ALA 76 HA ALA 76 -7.613 7.249 -5.513
462 1HB ALA 76 1HB ALA 76 -8.868 9.124 -4.687
463 2HB ALA 76 3HB ALA 76 -9.195 7.720 -3.667
464 3HB ALA 76 2HB ALA 76 -8.104 8.987 -3.101
465 H LYS 77 H LYS 77 -5.061 7.977 -3.407
466 HA LYS 77 HA LYS 77 -4.500 10.622 -4.369
467 1HB LYS 77 2HB LYS 77 -4.040 9.933 -2.052
468 2HB LYS 77 1HB LYS 77 -2.870 8.760 -2.633
469 1HG LYS 77 2HG LYS 77 -2.460 11.583 -3.421
470 2HG LYS 77 1HG LYS 77 -2.183 11.157 -1.731
471 1HD LYS 77 2HD LYS 77 -0.535 9.543 -2.324
472 2HD LYS 77 1HD LYS 77 -0.943 9.657 -4.042
473 1HE LYS 77 2HE LYS 77 -0.190 12.003 -4.036
474 2HE LYS 77 1HE LYS 77 0.226 11.861 -2.331
475 1HZ LYS 77 3HZ LYS 77 1.423 10.087 -4.370
476 2HZ LYS 77 2HZ LYS 77 2.082 11.612 -4.018
477 3HZ LYS 77 1HZ LYS 77 1.985 10.426 -2.805
478 H ARG 78 H ARG 78 -3.803 7.520 -5.498
479 HA ARG 78 HA ARG 78 -1.167 7.521 -6.225
480 1HB ARG 78 2HB ARG 78 -3.487 6.327 -7.705
481 2HB ARG 78 1HB ARG 78 -1.796 5.939 -8.015
482 1HG ARG 78 2HG ARG 78 -1.582 5.235 -5.655
483 2HG ARG 78 1HG ARG 78 -3.318 5.493 -5.465
484 1HD ARG 78 2HD ARG 78 -2.010 3.594 -7.404
485 2HD ARG 78 1HD ARG 78 -2.820 3.143 -5.905
486 HE ARG 78 HE ARG 78 -4.657 4.589 -7.400
487 1HH1 ARG 78 1HH1 ARG 78 -2.885 1.575 -7.744
488 2HH1 ARG 78 2HH1 ARG 78 -4.116 0.824 -8.719
489 1HH2 ARG 78 1HH2 ARG 78 -6.234 3.623 -8.708
490 2HH2 ARG 78 2HH2 ARG 78 -6.008 1.995 -9.275
491 H SER 79 H SER 79 -0.329 9.361 -6.967
492 HA SER 79 HA SER 79 -0.387 9.737 -9.809
493 1HB SER 79 2HB SER 79 -1.279 11.999 -7.986
494 2HB SER 79 1HB SER 79 -0.864 12.190 -9.689
495 HG SER 79 HG SER 79 -2.711 10.211 -9.172
496 HA PRO 80 HA PRO 80 3.812 11.045 -8.849
497 1HB PRO 80 2HB PRO 80 4.314 12.956 -10.692
498 2HB PRO 80 1HB PRO 80 4.151 11.250 -11.135
499 1HG PRO 80 2HG PRO 80 2.094 13.432 -11.255
500 2HG PRO 80 1HG PRO 80 2.539 12.259 -12.513
501 1HD PRO 80 2HD PRO 80 0.384 11.898 -10.961
502 2HD PRO 80 1HD PRO 80 1.398 10.529 -11.464
503 H ARG 81 H ARG 81 1.655 12.323 -7.392
504 HA ARG 81 HA ARG 81 2.408 15.125 -7.123
505 1HB ARG 81 2HB ARG 81 0.014 14.443 -7.272
506 2HB ARG 81 1HB ARG 81 0.210 13.531 -5.784
507 1HG ARG 81 2HG ARG 81 0.627 15.561 -4.547
508 2HG ARG 81 1HG ARG 81 0.557 16.508 -6.039
509 1HD ARG 81 2HD ARG 81 -1.768 15.725 -6.376
510 2HD ARG 81 1HD ARG 81 -1.681 14.898 -4.823
511 HE ARG 81 HE ARG 81 -1.096 17.394 -4.105
512 1HH1 ARG 81 1HH1 ARG 81 -3.608 16.185 -6.235
513 2HH1 ARG 81 2HH1 ARG 81 -4.732 17.445 -5.817
514 1HH2 ARG 81 1HH2 ARG 81 -2.572 19.046 -3.570
515 2HH2 ARG 81 2HH2 ARG 81 -4.147 19.061 -4.312
No H/Q in entry = 515
Start of MODEL 3
1 H1 LEU 22 2H LEU 22 -3.165 -3.730 23.423
2 H2 LEU 22 1H LEU 22 -3.420 -5.343 22.976
3 H3 LEU 22 3H LEU 22 -2.376 -4.363 22.069
4 HA LEU 22 HA LEU 22 -4.406 -4.606 20.883
5 1HB LEU 22 2HB LEU 22 -5.651 -5.016 23.122
6 2HB LEU 22 1HB LEU 22 -5.829 -3.274 23.176
7 HG LEU 22 HG LEU 22 -7.810 -4.538 22.291
8 1HD1 LEU 22 1HD1 LEU 22 -7.541 -2.165 21.834
9 2HD1 LEU 22 3HD1 LEU 22 -6.562 -2.539 20.415
10 3HD1 LEU 22 2HD1 LEU 22 -8.265 -2.997 20.458
11 1HD2 LEU 22 2HD2 LEU 22 -5.987 -5.005 19.940
12 2HD2 LEU 22 1HD2 LEU 22 -6.628 -6.236 21.026
13 3HD2 LEU 22 3HD2 LEU 22 -7.718 -5.329 19.980
14 H ALA 23 H ALA 23 -3.506 -1.983 23.087
15 HA ALA 23 HA ALA 23 -4.550 0.083 21.416
16 1HB ALA 23 3HB ALA 23 -2.608 0.247 23.718
17 2HB ALA 23 2HB ALA 23 -3.447 1.607 22.974
18 3HB ALA 23 1HB ALA 23 -4.365 0.367 23.832
19 H LYS 24 H LYS 24 -3.453 1.553 20.129
20 HA LYS 24 HA LYS 24 -1.111 0.636 18.791
21 1HB LYS 24 2HB LYS 24 -2.669 3.207 18.718
22 2HB LYS 24 1HB LYS 24 -1.142 3.055 17.858
23 1HG LYS 24 2HG LYS 24 -2.025 1.210 16.560
24 2HG LYS 24 1HG LYS 24 -3.548 1.289 17.453
25 1HD LYS 24 2HD LYS 24 -4.063 3.423 16.551
26 2HD LYS 24 1HD LYS 24 -2.436 3.613 15.898
27 1HE LYS 24 2HE LYS 24 -4.148 3.052 14.185
28 2HE LYS 24 1HE LYS 24 -2.819 1.895 14.271
29 1HZ LYS 24 1HZ LYS 24 -5.431 1.497 15.620
30 2HZ LYS 24 3HZ LYS 24 -5.068 0.888 14.083
31 3HZ LYS 24 2HZ LYS 24 -4.187 0.359 15.430
32 H GLY 25 H GLY 25 -1.680 2.606 21.564
33 1HA GLY 25 1HA GLY 25 -0.254 3.785 22.946
34 2HA GLY 25 2HA GLY 25 0.948 3.766 21.665
35 H GLU 26 H GLU 26 0.565 0.771 21.519
36 HA GLU 26 HA GLU 26 1.518 -0.408 23.900
37 1HB GLU 26 2HB GLU 26 0.492 -1.631 21.977
38 2HB GLU 26 1HB GLU 26 1.939 -1.300 21.036
39 1HG GLU 26 2HG GLU 26 2.039 -3.538 21.854
40 2HG GLU 26 1HG GLU 26 3.253 -2.577 22.698
41 H SER 27 H SER 27 3.104 0.782 20.995
42 HA SER 27 HA SER 27 5.508 1.424 22.442
43 1HB SER 27 2HB SER 27 5.647 -0.565 20.155
44 2HB SER 27 1HB SER 27 7.017 0.091 21.052
45 HG SER 27 HG SER 27 5.402 -0.907 22.854
46 H LEU 28 H LEU 28 3.729 1.186 19.440
47 HA LEU 28 HA LEU 28 3.497 2.517 17.636
48 1HB LEU 28 2HB LEU 28 3.294 4.350 19.293
49 2HB LEU 28 1HB LEU 28 5.032 4.574 19.231
50 HG LEU 28 HG LEU 28 4.858 5.191 16.848
51 1HD1 LEU 28 2HD1 LEU 28 2.852 3.926 16.285
52 2HD1 LEU 28 1HD1 LEU 28 1.884 4.991 17.304
53 3HD1 LEU 28 3HD1 LEU 28 2.669 5.628 15.860
54 1HD2 LEU 28 1HD2 LEU 28 3.081 6.787 18.690
55 2HD2 LEU 28 3HD2 LEU 28 4.833 6.928 18.555
56 3HD2 LEU 28 2HD2 LEU 28 3.805 7.373 17.193
57 HA PRO 29 HA PRO 29 6.889 0.609 15.479
58 1HB PRO 29 2HB PRO 29 5.949 2.791 13.655
59 2HB PRO 29 1HB PRO 29 6.414 1.132 13.261
60 1HG PRO 29 2HG PRO 29 3.827 1.909 13.618
61 2HG PRO 29 1HG PRO 29 4.410 0.267 13.939
62 1HD PRO 29 2HD PRO 29 3.431 2.225 15.827
63 2HD PRO 29 1HD PRO 29 3.933 0.549 16.125
64 HA PRO 30 HA PRO 30 9.925 3.621 17.061
65 1HB PRO 30 2HB PRO 30 11.977 1.853 16.210
66 2HB PRO 30 1HB PRO 30 11.372 2.106 17.847
67 1HG PRO 30 2HG PRO 30 10.732 -0.027 15.908
68 2HG PRO 30 1HG PRO 30 10.671 -0.056 17.677
69 1HD PRO 30 2HD PRO 30 8.450 0.016 16.150
70 2HD PRO 30 1HD PRO 30 8.535 0.800 17.741
71 HA PRO 31 HA PRO 31 11.968 4.196 12.792
72 1HB PRO 31 2HB PRO 31 10.932 2.332 10.850
73 2HB PRO 31 1HB PRO 31 12.595 2.519 11.408
74 1HG PRO 31 2HG PRO 31 11.047 0.325 11.932
75 2HG PRO 31 1HG PRO 31 12.398 0.854 12.950
76 1HD PRO 31 2HD PRO 31 9.456 1.274 13.332
77 2HD PRO 31 1HD PRO 31 10.705 0.877 14.531
78 HA PRO 32 HA PRO 32 8.134 6.321 11.679
79 1HB PRO 32 2HB PRO 32 9.366 8.536 10.695
80 2HB PRO 32 1HB PRO 32 9.100 8.271 12.422
81 1HG PRO 32 2HG PRO 32 11.572 7.820 10.794
82 2HG PRO 32 1HG PRO 32 11.408 8.547 12.405
83 1HD PRO 32 2HD PRO 32 12.205 5.989 12.049
84 2HD PRO 32 1HD PRO 32 11.243 6.498 13.453
85 H GLU 33 H GLU 33 11.001 5.856 9.725
86 HA GLU 33 HA GLU 33 9.509 4.884 7.521
87 1HB GLU 33 2HB GLU 33 10.356 6.599 5.880
88 2HB GLU 33 1HB GLU 33 9.094 7.161 6.965
89 1HG GLU 33 2HG GLU 33 10.401 8.905 7.352
90 2HG GLU 33 1HG GLU 33 11.399 7.812 8.309
91 H ASN 34 H ASN 34 10.860 3.907 5.956
92 HA ASN 34 HA ASN 34 13.685 3.690 6.724
93 1HB ASN 34 2HB ASN 34 13.483 1.204 6.244
94 2HB ASN 34 1HB ASN 34 12.676 1.757 7.704
95 1HD2 ASN 34 1HD2 ASN 34 11.363 -0.063 7.692
96 2HD2 ASN 34 2HD2 ASN 34 10.030 -0.216 6.590
97 HA PRO 35 HA PRO 35 15.053 3.595 2.427
98 1HB PRO 35 2HB PRO 35 15.296 0.736 2.155
99 2HB PRO 35 1HB PRO 35 16.575 1.942 2.292
100 1HG PRO 35 2HG PRO 35 15.365 0.242 4.379
101 2HG PRO 35 1HG PRO 35 16.962 1.009 4.333
102 1HD PRO 35 2HD PRO 35 15.053 1.910 5.970
103 2HD PRO 35 1HD PRO 35 16.150 3.032 5.139
104 H MET 36 H MET 36 12.778 0.959 3.237
105 HA MET 36 HA MET 36 11.749 0.895 0.540
106 1HB MET 36 2HB MET 36 11.324 -0.669 3.015
107 2HB MET 36 1HB MET 36 9.981 -0.613 1.884
108 1HG MET 36 2HG MET 36 12.779 -1.493 1.231
109 2HG MET 36 1HG MET 36 11.409 -2.557 1.538
110 1HE MET 36 2HE MET 36 9.217 -2.591 0.001
111 2HE MET 36 1HE MET 36 9.071 -0.836 0.084
112 3HE MET 36 3HE MET 36 9.047 -1.650 -1.481
113 H SER 37 H SER 37 11.243 2.994 3.002
114 HA SER 37 HA SER 37 9.676 4.540 3.520
115 1HB SER 37 2HB SER 37 8.329 3.682 0.944
116 2HB SER 37 1HB SER 37 7.965 5.140 1.869
117 HG SER 37 HG SER 37 10.360 4.491 0.488
118 H ALA 38 H ALA 38 8.211 4.408 5.091
119 HA ALA 38 HA ALA 38 6.957 1.988 5.779
120 1HB ALA 38 2HB ALA 38 7.457 3.749 7.420
121 2HB ALA 38 1HB ALA 38 6.242 4.784 6.668
122 3HB ALA 38 3HB ALA 38 5.756 3.286 7.458
123 H ASP 39 H ASP 39 6.043 4.693 3.834
124 HA ASP 39 HA ASP 39 3.285 4.052 3.664
125 1HB ASP 39 2HB ASP 39 4.298 6.333 3.206
126 2HB ASP 39 1HB ASP 39 4.865 5.669 1.673
127 H ARG 40 H ARG 40 6.131 3.452 1.641
128 HA ARG 40 HA ARG 40 4.693 2.271 -0.478
129 1HB ARG 40 2HB ARG 40 7.609 2.080 0.259
130 2HB ARG 40 1HB ARG 40 6.928 1.344 -1.184
131 1HG ARG 40 2HG ARG 40 6.183 3.583 -1.925
132 2HG ARG 40 1HG ARG 40 6.989 4.279 -0.518
133 1HD ARG 40 2HD ARG 40 8.443 4.478 -2.417
134 2HD ARG 40 1HD ARG 40 9.120 3.282 -1.313
135 HE ARG 40 HE ARG 40 7.516 2.413 -3.621
136 1HH1 ARG 40 1HH1 ARG 40 10.572 2.497 -1.910
137 2HH1 ARG 40 2HH1 ARG 40 11.305 1.270 -2.907
138 1HH2 ARG 40 1HH2 ARG 40 8.476 0.843 -4.944
139 2HH2 ARG 40 2HH2 ARG 40 10.118 0.338 -4.646
140 H VAL 41 H VAL 41 6.238 1.000 2.419
141 HA VAL 41 HA VAL 41 5.901 -1.739 1.952
142 HB VAL 41 HB VAL 41 5.685 -0.248 4.577
143 1HG1 VAL 41 3HG1 VAL 41 4.628 -2.442 4.743
144 2HG1 VAL 41 2HG1 VAL 41 6.074 -3.201 4.078
145 3HG1 VAL 41 1HG1 VAL 41 6.140 -2.404 5.650
146 1HG2 VAL 41 3HG2 VAL 41 8.000 -1.695 3.293
147 2HG2 VAL 41 2HG2 VAL 41 7.837 0.050 3.488
148 3HG2 VAL 41 1HG2 VAL 41 8.005 -0.983 4.906
149 H ARG 42 H ARG 42 3.635 0.662 3.255
150 HA ARG 42 HA ARG 42 1.489 -1.147 3.661
151 1HB ARG 42 2HB ARG 42 1.467 1.829 3.158
152 2HB ARG 42 1HB ARG 42 0.060 0.888 3.629
153 1HG ARG 42 2HG ARG 42 1.307 0.226 5.694
154 2HG ARG 42 1HG ARG 42 2.545 1.401 5.236
155 1HD ARG 42 2HD ARG 42 -0.367 1.957 5.758
156 2HD ARG 42 1HD ARG 42 0.987 2.401 6.798
157 HE ARG 42 HE ARG 42 1.267 3.486 4.173
158 1HH1 ARG 42 1HH1 ARG 42 -0.384 3.964 7.222
159 2HH1 ARG 42 2HH1 ARG 42 -0.588 5.675 6.987
160 1HH2 ARG 42 1HH2 ARG 42 0.988 5.732 3.850
161 2HH2 ARG 42 2HH2 ARG 42 0.190 6.671 5.085
162 H TRP 43 H TRP 43 2.322 1.059 1.011
163 HA TRP 43 HA TRP 43 0.106 0.640 -0.611
164 1HB TRP 43 2HB TRP 43 2.615 1.952 -0.827
165 2HB TRP 43 1HB TRP 43 2.423 0.954 -2.266
166 HD1 TRP 43 HD1 TRP 43 2.165 4.294 -1.876
167 HE1 TRP 43 HE1 TRP 43 0.147 5.401 -3.004
168 HE3 TRP 43 HE3 TRP 43 -0.832 0.194 -2.379
169 HZ2 TRP 43 HZ2 TRP 43 -2.393 4.656 -3.943
170 HZ3 TRP 43 HZ3 TRP 43 -3.053 0.487 -3.381
171 HH2 TRP 43 HH2 TRP 43 -3.812 2.667 -4.130
172 H GLU 44 H GLU 44 3.148 -1.160 -0.464
173 HA GLU 44 HA GLU 44 2.739 -2.924 -2.575
174 1HB GLU 44 2HB GLU 44 4.859 -2.816 -1.410
175 2HB GLU 44 1HB GLU 44 4.110 -3.367 0.083
176 1HG GLU 44 2HG GLU 44 3.577 -5.510 -1.040
177 2HG GLU 44 1HG GLU 44 4.483 -4.951 -2.446
178 H HIS 45 H HIS 45 1.460 -2.951 0.701
179 HA HIS 45 HA HIS 45 0.435 -5.636 0.502
180 1HB HIS 45 2HB HIS 45 1.164 -4.293 2.633
181 2HB HIS 45 1HB HIS 45 -0.450 -3.599 2.540
182 HD1 HIS 45 HD1 HIS 45 1.315 -6.205 4.141
183 HD2 HIS 45 HD2 HIS 45 -2.498 -5.867 2.480
184 HE1 HIS 45 HE1 HIS 45 -0.029 -8.077 5.141
185 HE2 HIS 45 HE2 HIS 45 -2.371 -7.705 4.313
186 H ILE 46 H ILE 46 -0.706 -2.346 0.140
187 HA ILE 46 HA ILE 46 -3.471 -2.852 -0.006
188 HB ILE 46 HB ILE 46 -2.042 -0.658 -1.513
189 1HG1 ILE 46 2HG1 ILE 46 -2.873 -0.723 1.386
190 2HG1 ILE 46 1HG1 ILE 46 -1.224 -0.623 0.773
191 1HG2 ILE 46 1HG2 ILE 46 -4.426 -0.945 -1.981
192 2HG2 ILE 46 3HG2 ILE 46 -4.769 -0.781 -0.254
193 3HG2 ILE 46 2HG2 ILE 46 -4.085 0.580 -1.155
194 1HD1 ILE 46 1HD1 ILE 46 -1.841 1.535 -0.301
195 2HD1 ILE 46 3HD1 ILE 46 -3.388 1.441 0.541
196 3HD1 ILE 46 2HD1 ILE 46 -1.889 1.547 1.466
197 H GLN 47 H GLN 47 -0.909 -3.050 -2.372
198 HA GLN 47 HA GLN 47 -2.638 -3.109 -4.651
199 1HB GLN 47 2HB GLN 47 0.274 -3.837 -4.312
200 2HB GLN 47 1HB GLN 47 -0.564 -3.909 -5.853
201 1HG GLN 47 2HG GLN 47 -0.128 -1.443 -4.182
202 2HG GLN 47 1HG GLN 47 0.732 -1.876 -5.656
203 1HE2 GLN 47 1HE2 GLN 47 -0.729 0.531 -5.193
204 2HE2 GLN 47 2HE2 GLN 47 -2.036 0.569 -6.325
205 H ARG 48 H ARG 48 -0.769 -5.526 -2.863
206 HA ARG 48 HA ARG 48 -1.478 -7.708 -4.469
207 1HB ARG 48 2HB ARG 48 -0.671 -9.108 -2.593
208 2HB ARG 48 1HB ARG 48 0.448 -7.819 -3.014
209 1HG ARG 48 2HG ARG 48 0.501 -7.706 -0.745
210 2HG ARG 48 1HG ARG 48 -0.785 -6.549 -1.089
211 1HD ARG 48 2HD ARG 48 -1.599 -7.888 0.657
212 2HD ARG 48 1HD ARG 48 -2.399 -8.478 -0.799
213 HE ARG 48 HE ARG 48 -0.289 -9.839 0.715
214 1HH1 ARG 48 1HH1 ARG 48 -2.601 -9.925 -1.936
215 2HH1 ARG 48 2HH1 ARG 48 -2.414 -11.631 -2.196
216 1HH2 ARG 48 1HH2 ARG 48 -0.043 -12.052 0.354
217 2HH2 ARG 48 2HH2 ARG 48 -0.954 -12.843 -0.899
218 H ILE 49 H ILE 49 -3.182 -6.169 -1.817
219 HA ILE 49 HA ILE 49 -5.094 -8.341 -1.718
220 HB ILE 49 HB ILE 49 -4.723 -7.368 0.394
221 1HG1 ILE 49 2HG1 ILE 49 -6.944 -6.605 1.078
222 2HG1 ILE 49 1HG1 ILE 49 -7.367 -6.292 -0.601
223 1HG2 ILE 49 3HG2 ILE 49 -3.800 -5.260 -0.325
224 2HG2 ILE 49 2HG2 ILE 49 -5.408 -4.709 -0.790
225 3HG2 ILE 49 1HG2 ILE 49 -5.047 -5.033 0.904
226 1HD1 ILE 49 2HD1 ILE 49 -6.522 -9.026 0.210
227 2HD1 ILE 49 1HD1 ILE 49 -8.159 -8.465 0.562
228 3HD1 ILE 49 3HD1 ILE 49 -7.580 -8.517 -1.102
229 H TYR 50 H TYR 50 -4.980 -5.011 -2.926
230 HA TYR 50 HA TYR 50 -7.671 -4.755 -3.650
231 1HB TYR 50 2HB TYR 50 -5.796 -2.980 -3.626
232 2HB TYR 50 1HB TYR 50 -5.414 -3.553 -5.245
233 HD1 TYR 50 HD1 TYR 50 -6.768 -2.935 -7.120
234 HD2 TYR 50 HD2 TYR 50 -7.982 -1.913 -3.172
235 HE1 TYR 50 HE1 TYR 50 -8.471 -1.414 -8.042
236 HE2 TYR 50 HE2 TYR 50 -9.683 -0.392 -4.079
237 HH TYR 50 HH TYR 50 -10.037 0.913 -6.215
238 H GLU 51 H GLU 51 -4.968 -6.277 -5.279
239 HA GLU 51 HA GLU 51 -6.335 -6.789 -7.724
240 1HB GLU 51 2HB GLU 51 -3.890 -8.063 -6.491
241 2HB GLU 51 1HB GLU 51 -4.471 -8.416 -8.112
242 1HG GLU 51 2HG GLU 51 -3.607 -5.703 -7.131
243 2HG GLU 51 1HG GLU 51 -2.618 -6.807 -8.085
244 H MET 52 H MET 52 -5.839 -8.677 -4.744
245 HA MET 52 HA MET 52 -6.920 -11.055 -5.931
246 1HB MET 52 2HB MET 52 -6.584 -12.142 -3.823
247 2HB MET 52 1HB MET 52 -5.179 -11.148 -4.162
248 1HG MET 52 2HG MET 52 -6.128 -9.422 -2.641
249 2HG MET 52 1HG MET 52 -7.397 -10.567 -2.219
250 1HE MET 52 2HE MET 52 -5.772 -13.319 -2.278
251 2HE MET 52 1HE MET 52 -5.314 -13.473 -0.581
252 3HE MET 52 3HE MET 52 -6.930 -12.912 -1.011
253 H CYS 53 H CYS 53 -8.215 -8.639 -3.622
254 HA CYS 53 HA CYS 53 -10.732 -10.043 -3.459
255 1HB CYS 53 2HB CYS 53 -11.465 -8.120 -2.119
256 2HB CYS 53 1HB CYS 53 -9.915 -8.736 -1.555
257 HG CYS 53 HG CYS 53 -8.390 -6.688 -2.535
258 H ASP 54 H ASP 54 -9.309 -8.255 -5.789
259 HA ASP 54 HA ASP 54 -9.960 -7.255 -7.697
260 1HB ASP 54 2HB ASP 54 -11.349 -9.330 -7.883
261 2HB ASP 54 1HB ASP 54 -12.693 -8.436 -7.181
262 H ARG 55 H ARG 55 -9.646 -5.283 -6.444
263 HA ARG 55 HA ARG 55 -10.164 -3.083 -6.310
264 1HB ARG 55 2HB ARG 55 -12.660 -3.885 -7.791
265 2HB ARG 55 1HB ARG 55 -12.055 -2.241 -7.602
266 1HG ARG 55 2HG ARG 55 -10.025 -2.840 -8.811
267 2HG ARG 55 1HG ARG 55 -10.618 -4.492 -8.996
268 1HD ARG 55 2HD ARG 55 -12.550 -3.619 -10.242
269 2HD ARG 55 1HD ARG 55 -11.878 -1.996 -10.094
270 HE ARG 55 HE ARG 55 -9.886 -2.980 -11.329
271 1HH1 ARG 55 1HH1 ARG 55 -13.149 -4.192 -11.769
272 2HH1 ARG 55 2HH1 ARG 55 -12.883 -4.679 -13.417
273 1HH2 ARG 55 1HH2 ARG 55 -9.536 -3.632 -13.487
274 2HH2 ARG 55 2HH2 ARG 55 -10.827 -4.355 -14.389
275 H ASN 56 H ASN 56 -11.343 -5.196 -4.374
276 HA ASN 56 HA ASN 56 -13.614 -3.773 -3.267
277 1HB ASN 56 2HB ASN 56 -13.453 -6.287 -3.268
278 2HB ASN 56 1HB ASN 56 -12.135 -6.150 -2.111
279 1HD2 ASN 56 1HD2 ASN 56 -14.597 -7.508 -1.745
280 2HD2 ASN 56 2HD2 ASN 56 -15.433 -6.745 -0.431
281 H VAL 57 H VAL 57 -12.965 -1.848 -2.462
282 HA VAL 57 HA VAL 57 -10.505 -1.342 -1.196
283 HB VAL 57 HB VAL 57 -11.855 0.443 -2.198
284 1HG1 VAL 57 1HG1 VAL 57 -14.074 -0.341 -1.578
285 2HG1 VAL 57 3HG1 VAL 57 -13.740 0.012 0.116
286 3HG1 VAL 57 2HG1 VAL 57 -13.833 1.327 -1.057
287 1HG2 VAL 57 2HG2 VAL 57 -11.373 0.838 0.754
288 2HG2 VAL 57 1HG2 VAL 57 -10.197 1.066 -0.540
289 3HG2 VAL 57 3HG2 VAL 57 -11.600 2.128 -0.428
290 H SER 58 H SER 58 -13.531 -2.546 0.038
291 HA SER 58 HA SER 58 -13.173 -1.870 2.751
292 1HB SER 58 2HB SER 58 -14.779 -4.150 1.573
293 2HB SER 58 1HB SER 58 -14.992 -3.436 3.173
294 HG SER 58 HG SER 58 -16.464 -2.383 1.978
295 H GLU 59 H GLU 59 -12.495 -4.919 0.978
296 HA GLU 59 HA GLU 59 -11.405 -6.110 3.344
297 1HB GLU 59 2HB GLU 59 -12.369 -7.592 1.662
298 2HB GLU 59 1HB GLU 59 -11.234 -7.010 0.448
299 1HG GLU 59 2HG GLU 59 -9.442 -8.157 1.364
300 2HG GLU 59 1HG GLU 59 -10.207 -8.285 2.949
301 H THR 60 H THR 60 -10.084 -4.481 0.539
302 HA THR 60 HA THR 60 -7.389 -4.942 0.939
303 HB THR 60 HB THR 60 -8.611 -2.290 0.132
304 HG1 THR 60 HG1 THR 60 -9.407 -3.875 -1.251
305 1HG2 THR 60 2HG2 THR 60 -6.207 -2.200 0.634
306 2HG2 THR 60 1HG2 THR 60 -5.930 -3.541 -0.484
307 3HG2 THR 60 3HG2 THR 60 -6.515 -1.989 -1.094
308 H ALA 61 H ALA 61 -9.536 -2.633 2.484
309 HA ALA 61 HA ALA 61 -7.695 -1.311 4.133
310 1HB ALA 61 1HB ALA 61 -10.618 -1.949 4.561
311 2HB ALA 61 3HB ALA 61 -9.690 -0.747 5.478
312 3HB ALA 61 2HB ALA 61 -9.959 -0.518 3.746
313 H ARG 62 H ARG 62 -9.808 -4.102 4.833
314 HA ARG 62 HA ARG 62 -9.058 -4.428 7.523
315 1HB ARG 62 2HB ARG 62 -11.068 -5.463 6.727
316 2HB ARG 62 1HB ARG 62 -10.191 -6.365 5.502
317 1HG ARG 62 2HG ARG 62 -10.838 -7.835 7.291
318 2HG ARG 62 1HG ARG 62 -9.084 -7.662 7.272
319 1HD ARG 62 2HD ARG 62 -9.253 -6.009 9.090
320 2HD ARG 62 1HD ARG 62 -11.000 -6.249 9.126
321 HE ARG 62 HE ARG 62 -9.560 -8.704 9.427
322 1HH1 ARG 62 1HH1 ARG 62 -10.738 -5.881 11.154
323 2HH1 ARG 62 2HH1 ARG 62 -10.742 -6.686 12.696
324 1HH2 ARG 62 1HH2 ARG 62 -9.575 -9.750 11.454
325 2HH2 ARG 62 2HH2 ARG 62 -10.101 -8.878 12.865
326 H ARG 63 H ARG 63 -7.814 -5.807 4.552
327 HA ARG 63 HA ARG 63 -5.952 -7.578 5.793
328 1HB ARG 63 2HB ARG 63 -7.013 -7.727 3.479
329 2HB ARG 63 1HB ARG 63 -5.860 -6.501 2.981
330 1HG ARG 63 2HG ARG 63 -4.217 -7.986 2.781
331 2HG ARG 63 1HG ARG 63 -4.613 -8.767 4.318
332 1HD ARG 63 2HD ARG 63 -6.237 -10.132 3.337
333 2HD ARG 63 1HD ARG 63 -6.343 -9.117 1.904
334 HE ARG 63 HE ARG 63 -4.310 -10.052 1.128
335 1HH1 ARG 63 1HH1 ARG 63 -5.523 -11.534 4.047
336 2HH1 ARG 63 2HH1 ARG 63 -4.709 -13.048 3.786
337 1HH2 ARG 63 1HH2 ARG 63 -3.196 -12.043 0.781
338 2HH2 ARG 63 2HH2 ARG 63 -3.374 -13.339 1.927
339 H LEU 64 H LEU 64 -5.995 -4.248 5.073
340 HA LEU 64 HA LEU 64 -3.098 -3.941 5.193
341 1HB LEU 64 2HB LEU 64 -5.398 -2.280 4.380
342 2HB LEU 64 1HB LEU 64 -4.091 -1.411 5.157
343 HG LEU 64 HG LEU 64 -4.023 -1.480 2.624
344 1HD1 LEU 64 1HD1 LEU 64 -2.067 -0.936 4.013
345 2HD1 LEU 64 3HD1 LEU 64 -1.671 -2.650 4.137
346 3HD1 LEU 64 2HD1 LEU 64 -1.600 -1.838 2.573
347 1HD2 LEU 64 3HD2 LEU 64 -3.299 -4.363 3.175
348 2HD2 LEU 64 2HD2 LEU 64 -4.710 -3.781 2.292
349 3HD2 LEU 64 1HD2 LEU 64 -3.094 -3.539 1.631
350 H ASN 65 H ASN 65 -5.498 -4.339 7.378
351 HA ASN 65 HA ASN 65 -5.793 -3.918 9.598
352 1HB ASN 65 2HB ASN 65 -2.957 -2.837 9.552
353 2HB ASN 65 1HB ASN 65 -3.868 -3.314 10.978
354 1HD2 ASN 65 1HD2 ASN 65 -4.977 -5.671 9.526
355 2HD2 ASN 65 2HD2 ASN 65 -3.690 -6.820 9.501
356 H MET 66 H MET 66 -6.416 -2.011 7.541
357 HA MET 66 HA MET 66 -6.098 0.568 8.937
358 1HB MET 66 2HB MET 66 -5.728 -0.220 6.092
359 2HB MET 66 1HB MET 66 -6.440 1.355 6.410
360 1HG MET 66 2HG MET 66 -4.539 2.184 7.349
361 2HG MET 66 1HG MET 66 -3.945 0.595 7.827
362 1HE MET 66 2HE MET 66 -4.922 2.677 4.628
363 2HE MET 66 1HE MET 66 -4.045 1.775 3.386
364 3HE MET 66 3HE MET 66 -5.371 1.009 4.259
365 H HIS 67 H HIS 67 -7.716 2.078 8.666
366 HA HIS 67 HA HIS 67 -10.370 1.032 8.589
367 1HB HIS 67 2HB HIS 67 -9.456 2.995 9.960
368 2HB HIS 67 1HB HIS 67 -9.558 3.934 8.477
369 HD1 HIS 67 HD1 HIS 67 -11.880 1.816 10.624
370 HD2 HIS 67 HD2 HIS 67 -11.942 5.195 8.198
371 HE1 HIS 67 HE1 HIS 67 -14.213 2.743 10.802
372 HE2 HIS 67 HE2 HIS 67 -14.166 4.893 9.488
373 H ARG 68 H ARG 68 -12.018 1.707 7.047
374 HA ARG 68 HA ARG 68 -11.300 1.178 4.425
375 1HB ARG 68 2HB ARG 68 -13.619 1.158 5.651
376 2HB ARG 68 1HB ARG 68 -13.751 2.795 5.022
377 1HG ARG 68 2HG ARG 68 -13.158 0.439 3.255
378 2HG ARG 68 1HG ARG 68 -14.800 0.938 3.654
379 1HD ARG 68 2HD ARG 68 -12.748 2.748 2.395
380 2HD ARG 68 1HD ARG 68 -13.935 1.819 1.482
381 HE ARG 68 HE ARG 68 -14.559 4.012 3.359
382 1HH1 ARG 68 1HH1 ARG 68 -15.407 1.915 0.697
383 2HH1 ARG 68 2HH1 ARG 68 -16.847 2.786 0.276
384 1HH2 ARG 68 1HH2 ARG 68 -16.458 5.185 2.819
385 2HH2 ARG 68 2HH2 ARG 68 -17.454 4.644 1.509
386 H ARG 69 H ARG 69 -11.834 4.314 5.982
387 HA ARG 69 HA ARG 69 -11.599 5.863 3.628
388 1HB ARG 69 2HB ARG 69 -12.615 6.538 5.849
389 2HB ARG 69 1HB ARG 69 -10.965 6.833 6.388
390 1HG ARG 69 2HG ARG 69 -10.639 8.552 4.836
391 2HG ARG 69 1HG ARG 69 -12.055 8.080 3.890
392 1HD ARG 69 2HD ARG 69 -12.043 9.253 6.654
393 2HD ARG 69 1HD ARG 69 -12.550 10.052 5.169
394 HE ARG 69 HE ARG 69 -14.183 7.954 5.198
395 1HH1 ARG 69 1HH1 ARG 69 -13.316 10.204 7.735
396 2HH1 ARG 69 2HH1 ARG 69 -14.840 10.058 8.561
397 1HH2 ARG 69 1HH2 ARG 69 -16.178 7.735 6.279
398 2HH2 ARG 69 2HH2 ARG 69 -16.471 8.644 7.736
399 H THR 70 H THR 70 -9.260 4.692 5.977
400 HA THR 70 HA THR 70 -7.028 6.193 5.199
401 HB THR 70 HB THR 70 -6.902 3.314 6.078
402 HG1 THR 70 HG1 THR 70 -7.393 5.673 7.622
403 1HG2 THR 70 3HG2 THR 70 -4.790 4.367 5.427
404 2HG2 THR 70 2HG2 THR 70 -5.098 5.691 6.551
405 3HG2 THR 70 1HG2 THR 70 -4.832 4.059 7.165
406 H LEU 71 H LEU 71 -8.163 3.029 4.114
407 HA LEU 71 HA LEU 71 -6.220 2.550 2.142
408 1HB LEU 71 2HB LEU 71 -8.155 1.101 3.247
409 2HB LEU 71 1HB LEU 71 -9.049 1.617 1.836
410 HG LEU 71 HG LEU 71 -8.137 -0.581 1.483
411 1HD1 LEU 71 2HD1 LEU 71 -6.655 1.480 -0.128
412 2HD1 LEU 71 1HD1 LEU 71 -6.880 -0.211 -0.575
413 3HD1 LEU 71 3HD1 LEU 71 -8.275 0.863 -0.455
414 1HD2 LEU 71 3HD2 LEU 71 -6.254 -0.386 3.067
415 2HD2 LEU 71 2HD2 LEU 71 -5.777 -1.061 1.510
416 3HD2 LEU 71 1HD2 LEU 71 -5.407 0.621 1.895
417 H GLN 72 H GLN 72 -9.366 4.116 2.041
418 HA GLN 72 HA GLN 72 -9.571 4.461 -0.760
419 1HB GLN 72 2HB GLN 72 -11.475 4.549 0.817
420 2HB GLN 72 1HB GLN 72 -10.850 6.061 1.458
421 1HG GLN 72 2HG GLN 72 -11.163 7.122 -0.711
422 2HG GLN 72 1HG GLN 72 -11.770 5.601 -1.370
423 1HE2 GLN 72 1HE2 GLN 72 -13.769 6.478 -1.880
424 2HE2 GLN 72 2HE2 GLN 72 -14.935 6.894 -0.674
425 H ARG 73 H ARG 73 -8.469 6.670 1.795
426 HA ARG 73 HA ARG 73 -7.972 8.852 0.094
427 1HB ARG 73 2HB ARG 73 -8.111 9.015 2.565
428 2HB ARG 73 1HB ARG 73 -6.584 8.153 2.692
429 1HG ARG 73 2HG ARG 73 -6.634 10.603 1.029
430 2HG ARG 73 1HG ARG 73 -6.738 10.797 2.779
431 1HD ARG 73 2HD ARG 73 -4.652 9.737 3.118
432 2HD ARG 73 1HD ARG 73 -4.614 9.120 1.467
433 HE ARG 73 HE ARG 73 -4.686 11.828 1.172
434 1HH1 ARG 73 1HH1 ARG 73 -2.619 9.670 3.008
435 2HH1 ARG 73 2HH1 ARG 73 -1.181 10.608 2.725
436 1HH2 ARG 73 1HH2 ARG 73 -2.810 13.065 0.816
437 2HH2 ARG 73 2HH2 ARG 73 -1.293 12.553 1.508
438 H ILE 74 H ILE 74 -6.045 6.070 0.991
439 HA ILE 74 HA ILE 74 -3.624 6.928 -0.212
440 HB ILE 74 HB ILE 74 -4.666 4.227 0.602
441 1HG1 ILE 74 2HG1 ILE 74 -2.372 5.862 1.695
442 2HG1 ILE 74 1HG1 ILE 74 -4.022 6.000 2.294
443 1HG2 ILE 74 1HG2 ILE 74 -3.125 4.036 -1.355
444 2HG2 ILE 74 3HG2 ILE 74 -1.863 4.781 -0.368
445 3HG2 ILE 74 2HG2 ILE 74 -2.566 3.228 0.105
446 1HD1 ILE 74 1HD1 ILE 74 -2.352 3.501 2.327
447 2HD1 ILE 74 3HD1 ILE 74 -2.666 4.560 3.703
448 3HD1 ILE 74 2HD1 ILE 74 -3.994 3.669 2.957
449 H LEU 75 H LEU 75 -6.225 4.754 -1.344
450 HA LEU 75 HA LEU 75 -5.251 4.261 -3.928
451 1HB LEU 75 2HB LEU 75 -8.123 4.616 -3.046
452 2HB LEU 75 1HB LEU 75 -7.616 3.901 -4.560
453 HG LEU 75 HG LEU 75 -7.036 2.751 -1.832
454 1HD1 LEU 75 3HD1 LEU 75 -9.081 1.969 -3.907
455 2HD1 LEU 75 2HD1 LEU 75 -8.724 1.076 -2.429
456 3HD1 LEU 75 1HD1 LEU 75 -9.414 2.697 -2.334
457 1HD2 LEU 75 1HD2 LEU 75 -6.592 1.681 -4.618
458 2HD2 LEU 75 3HD2 LEU 75 -5.356 2.102 -3.433
459 3HD2 LEU 75 2HD2 LEU 75 -6.431 0.736 -3.138
460 H ALA 76 H ALA 76 -7.176 6.878 -2.607
461 HA ALA 76 HA ALA 76 -7.732 8.106 -5.126
462 1HB ALA 76 2HB ALA 76 -9.026 9.614 -3.905
463 2HB ALA 76 1HB ALA 76 -9.126 8.111 -2.976
464 3HB ALA 76 3HB ALA 76 -8.053 9.412 -2.448
465 H LYS 77 H LYS 77 -4.980 8.022 -3.274
466 HA LYS 77 HA LYS 77 -4.071 10.715 -3.738
467 1HB LYS 77 2HB LYS 77 -3.313 9.150 -1.864
468 2HB LYS 77 1HB LYS 77 -2.338 8.348 -3.089
469 1HG LYS 77 2HG LYS 77 -1.659 10.955 -3.476
470 2HG LYS 77 1HG LYS 77 -1.924 10.904 -1.731
471 1HD LYS 77 2HD LYS 77 -0.153 9.040 -3.289
472 2HD LYS 77 1HD LYS 77 0.405 10.415 -2.337
473 1HE LYS 77 2HE LYS 77 -0.431 9.396 -0.309
474 2HE LYS 77 1HE LYS 77 -1.135 8.069 -1.230
475 1HZ LYS 77 1HZ LYS 77 1.147 7.505 -1.962
476 2HZ LYS 77 3HZ LYS 77 1.754 8.675 -0.895
477 3HZ LYS 77 2HZ LYS 77 0.912 7.334 -0.292
478 H ARG 78 H ARG 78 -4.066 7.704 -5.449
479 HA ARG 78 HA ARG 78 -1.979 8.490 -7.269
480 1HB ARG 78 2HB ARG 78 -3.783 6.121 -7.083
481 2HB ARG 78 1HB ARG 78 -2.868 6.431 -8.557
482 1HG ARG 78 2HG ARG 78 -0.796 6.415 -7.307
483 2HG ARG 78 1HG ARG 78 -1.682 6.176 -5.801
484 1HD ARG 78 2HD ARG 78 -0.770 4.087 -6.565
485 2HD ARG 78 1HD ARG 78 -2.527 4.054 -6.654
486 HE ARG 78 HE ARG 78 -2.183 4.561 -9.111
487 1HH1 ARG 78 1HH1 ARG 78 0.179 2.804 -7.197
488 2HH1 ARG 78 2HH1 ARG 78 0.790 1.901 -8.549
489 1HH2 ARG 78 1HH2 ARG 78 -1.400 3.385 -10.876
490 2HH2 ARG 78 2HH2 ARG 78 -0.115 2.237 -10.661
491 H SER 79 H SER 79 -2.958 10.516 -7.798
492 HA SER 79 HA SER 79 -4.510 10.440 -10.215
493 1HB SER 79 2HB SER 79 -5.653 11.713 -7.702
494 2HB SER 79 1HB SER 79 -6.310 11.930 -9.323
495 HG SER 79 HG SER 79 -5.980 9.298 -8.634
496 HA PRO 80 HA PRO 80 -2.396 14.387 -10.817
497 1HB PRO 80 2HB PRO 80 -4.269 16.101 -11.729
498 2HB PRO 80 1HB PRO 80 -3.705 14.732 -12.701
499 1HG PRO 80 2HG PRO 80 -6.117 14.896 -10.914
500 2HG PRO 80 1HG PRO 80 -6.048 14.400 -12.621
501 1HD PRO 80 2HD PRO 80 -6.094 12.575 -10.698
502 2HD PRO 80 1HD PRO 80 -5.012 12.366 -12.095
503 H ARG 81 H ARG 81 -3.252 13.925 -8.151
504 HA ARG 81 HA ARG 81 -4.296 16.447 -7.154
505 1HB ARG 81 2HB ARG 81 -3.452 13.943 -5.682
506 2HB ARG 81 1HB ARG 81 -4.263 15.328 -4.967
507 1HG ARG 81 2HG ARG 81 -5.497 13.775 -7.213
508 2HG ARG 81 1HG ARG 81 -5.666 13.274 -5.532
509 1HD ARG 81 2HD ARG 81 -7.585 14.579 -6.170
510 2HD ARG 81 1HD ARG 81 -6.629 15.479 -4.998
511 HE ARG 81 HE ARG 81 -5.768 16.353 -7.455
512 1HH1 ARG 81 1HH1 ARG 81 -8.846 16.164 -5.810
513 2HH1 ARG 81 2HH1 ARG 81 -9.482 17.609 -6.541
514 1HH2 ARG 81 1HH2 ARG 81 -6.591 18.268 -8.432
515 2HH2 ARG 81 2HH2 ARG 81 -8.192 18.814 -8.016
No H/Q in entry = 515
Start of MODEL 4
1 H1 LEU 22 2H LEU 22 -4.926 -16.892 10.752
2 H2 LEU 22 1H LEU 22 -4.623 -18.065 9.565
3 H3 LEU 22 3H LEU 22 -6.199 -17.479 9.806
4 HA LEU 22 HA LEU 22 -6.349 -18.482 11.934
5 1HB LEU 22 2HB LEU 22 -5.163 -20.419 9.938
6 2HB LEU 22 1HB LEU 22 -6.038 -20.882 11.381
7 HG LEU 22 HG LEU 22 -8.000 -19.538 10.376
8 1HD1 LEU 22 2HD1 LEU 22 -6.755 -18.431 8.605
9 2HD1 LEU 22 1HD1 LEU 22 -6.358 -19.994 7.892
10 3HD1 LEU 22 3HD1 LEU 22 -8.032 -19.445 7.939
11 1HD2 LEU 22 2HD2 LEU 22 -7.983 -21.954 10.637
12 2HD2 LEU 22 1HD2 LEU 22 -8.735 -21.493 9.109
13 3HD2 LEU 22 3HD2 LEU 22 -7.088 -22.126 9.128
14 H ALA 23 H ALA 23 -3.166 -19.076 10.473
15 HA ALA 23 HA ALA 23 -2.013 -20.279 12.747
16 1HB ALA 23 3HB ALA 23 -0.642 -18.814 10.494
17 2HB ALA 23 1HB ALA 23 -1.101 -20.519 10.486
18 3HB ALA 23 2HB ALA 23 0.116 -19.939 11.626
19 H LYS 24 H LYS 24 -1.848 -19.315 14.643
20 HA LYS 24 HA LYS 24 -1.057 -16.488 14.712
21 1HB LYS 24 2HB LYS 24 -2.527 -18.154 16.765
22 2HB LYS 24 1HB LYS 24 -1.997 -16.497 17.029
23 1HG LYS 24 2HG LYS 24 -3.404 -15.746 15.179
24 2HG LYS 24 1HG LYS 24 -3.932 -17.406 14.911
25 1HD LYS 24 2HD LYS 24 -4.328 -15.932 17.508
26 2HD LYS 24 1HD LYS 24 -5.529 -15.970 16.216
27 1HE LYS 24 2HE LYS 24 -4.412 -18.389 17.635
28 2HE LYS 24 1HE LYS 24 -5.975 -17.646 17.969
29 1HZ LYS 24 2HZ LYS 24 -6.509 -18.087 15.553
30 2HZ LYS 24 1HZ LYS 24 -5.125 -19.061 15.502
31 3HZ LYS 24 3HZ LYS 24 -6.398 -19.454 16.551
32 H GLY 25 H GLY 25 1.052 -16.335 14.909
33 1HA GLY 25 1HA GLY 25 2.508 -18.339 16.497
34 2HA GLY 25 2HA GLY 25 2.760 -16.627 16.812
35 H GLU 26 H GLU 26 2.987 -19.117 14.309
36 HA GLU 26 HA GLU 26 5.462 -18.219 13.310
37 1HB GLU 26 2HB GLU 26 4.965 -19.726 11.372
38 2HB GLU 26 1HB GLU 26 4.825 -20.501 12.944
39 1HG GLU 26 2HG GLU 26 2.391 -20.251 12.841
40 2HG GLU 26 1HG GLU 26 2.544 -19.494 11.256
41 H SER 27 H SER 27 2.150 -17.549 12.397
42 HA SER 27 HA SER 27 3.116 -15.526 10.507
43 1HB SER 27 2HB SER 27 0.296 -16.583 10.874
44 2HB SER 27 1HB SER 27 0.848 -15.488 9.605
45 HG SER 27 HG SER 27 2.378 -17.271 9.073
46 H LEU 28 H LEU 28 3.718 -13.947 11.945
47 HA LEU 28 HA LEU 28 1.737 -13.048 13.914
48 1HB LEU 28 2HB LEU 28 4.139 -13.670 14.535
49 2HB LEU 28 1HB LEU 28 4.625 -12.211 13.700
50 HG LEU 28 HG LEU 28 2.671 -12.134 15.988
51 1HD1 LEU 28 3HD1 LEU 28 5.678 -11.959 16.107
52 2HD1 LEU 28 2HD1 LEU 28 4.570 -11.630 17.441
53 3HD1 LEU 28 1HD1 LEU 28 4.683 -13.257 16.770
54 1HD2 LEU 28 1HD2 LEU 28 2.836 -10.132 14.574
55 2HD2 LEU 28 3HD2 LEU 28 3.457 -9.837 16.197
56 3HD2 LEU 28 2HD2 LEU 28 4.576 -10.082 14.856
57 HA PRO 29 HA PRO 29 0.214 -9.643 11.499
58 1HB PRO 29 2HB PRO 29 0.736 -8.402 14.178
59 2HB PRO 29 1HB PRO 29 -0.653 -8.202 13.103
60 1HG PRO 29 2HG PRO 29 -0.645 -9.907 15.222
61 2HG PRO 29 1HG PRO 29 -1.612 -10.163 13.759
62 1HD PRO 29 2HD PRO 29 0.640 -11.705 14.726
63 2HD PRO 29 1HD PRO 29 -0.425 -12.030 13.347
64 HA PRO 30 HA PRO 30 4.303 -7.834 10.685
65 1HB PRO 30 2HB PRO 30 3.745 -7.009 8.178
66 2HB PRO 30 1HB PRO 30 4.132 -8.692 8.552
67 1HG PRO 30 2HG PRO 30 1.467 -7.411 8.091
68 2HG PRO 30 1HG PRO 30 2.067 -8.984 7.537
69 1HD PRO 30 2HD PRO 30 0.421 -8.663 9.697
70 2HD PRO 30 1HD PRO 30 1.558 -10.013 9.520
71 HA PRO 31 HA PRO 31 3.073 -3.727 11.996
72 1HB PRO 31 2HB PRO 31 5.925 -3.168 11.387
73 2HB PRO 31 1HB PRO 31 5.018 -2.890 12.878
74 1HG PRO 31 2HG PRO 31 6.794 -4.873 12.709
75 2HG PRO 31 1HG PRO 31 5.270 -5.079 13.594
76 1HD PRO 31 2HD PRO 31 6.027 -6.062 10.870
77 2HD PRO 31 1HD PRO 31 5.099 -6.876 12.148
78 HA PRO 32 HA PRO 32 2.291 -1.918 7.999
79 1HB PRO 32 2HB PRO 32 2.009 0.568 9.603
80 2HB PRO 32 1HB PRO 32 0.875 -0.176 8.470
81 1HG PRO 32 2HG PRO 32 0.458 -0.309 11.095
82 2HG PRO 32 1HG PRO 32 0.089 -1.686 10.040
83 1HD PRO 32 2HD PRO 32 2.415 -1.271 11.874
84 2HD PRO 32 1HD PRO 32 1.495 -2.751 11.532
85 H GLU 33 H GLU 33 4.169 0.011 10.332
86 HA GLU 33 HA GLU 33 5.779 1.064 8.154
87 1HB GLU 33 2HB GLU 33 6.849 2.438 9.955
88 2HB GLU 33 1HB GLU 33 5.124 2.707 9.758
89 1HG GLU 33 2HG GLU 33 4.629 1.441 11.714
90 2HG GLU 33 1HG GLU 33 6.302 0.900 11.849
91 H ASN 34 H ASN 34 6.783 -0.886 7.563
92 HA ASN 34 HA ASN 34 8.414 -2.356 9.411
93 1HB ASN 34 2HB ASN 34 7.339 -3.264 7.276
94 2HB ASN 34 1HB ASN 34 8.591 -2.404 6.389
95 1HD2 ASN 34 1HD2 ASN 34 9.566 -4.198 5.554
96 2HD2 ASN 34 2HD2 ASN 34 10.417 -5.359 6.516
97 HA PRO 35 HA PRO 35 12.102 0.174 9.676
98 1HB PRO 35 2HB PRO 35 13.721 -2.148 9.120
99 2HB PRO 35 1HB PRO 35 13.495 -1.301 10.649
100 1HG PRO 35 2HG PRO 35 12.163 -3.721 9.632
101 2HG PRO 35 1HG PRO 35 12.362 -3.162 11.302
102 1HD PRO 35 2HD PRO 35 9.978 -3.104 10.077
103 2HD PRO 35 1HD PRO 35 10.472 -1.822 11.205
104 H MET 36 H MET 36 11.800 -2.211 7.067
105 HA MET 36 HA MET 36 13.741 -1.114 5.338
106 1HB MET 36 2HB MET 36 12.754 -3.399 5.134
107 2HB MET 36 1HB MET 36 11.249 -2.663 4.591
108 1HG MET 36 2HG MET 36 12.380 -1.748 2.644
109 2HG MET 36 1HG MET 36 13.908 -2.437 3.193
110 1HE MET 36 3HE MET 36 14.284 -5.060 3.497
111 2HE MET 36 2HE MET 36 12.768 -5.248 4.381
112 3HE MET 36 1HE MET 36 13.118 -6.287 2.999
113 H SER 37 H SER 37 10.207 -0.746 5.397
114 HA SER 37 HA SER 37 10.364 1.947 4.386
115 1HB SER 37 2HB SER 37 9.027 -0.230 2.748
116 2HB SER 37 1HB SER 37 8.883 1.499 2.427
117 HG SER 37 HG SER 37 11.486 0.722 2.645
118 H ALA 38 H ALA 38 8.576 3.112 5.069
119 HA ALA 38 HA ALA 38 6.763 1.637 6.796
120 1HB ALA 38 3HB ALA 38 7.052 4.612 6.379
121 2HB ALA 38 2HB ALA 38 6.055 3.831 7.607
122 3HB ALA 38 1HB ALA 38 7.810 3.672 7.664
123 H ASP 39 H ASP 39 6.435 4.147 4.287
124 HA ASP 39 HA ASP 39 3.651 3.443 3.958
125 1HB ASP 39 2HB ASP 39 5.410 5.583 2.812
126 2HB ASP 39 1HB ASP 39 3.819 5.259 2.127
127 H ARG 40 H ARG 40 6.685 2.975 2.326
128 HA ARG 40 HA ARG 40 5.683 2.179 -0.160
129 1HB ARG 40 2HB ARG 40 8.046 2.674 0.169
130 2HB ARG 40 1HB ARG 40 8.206 1.270 1.215
131 1HG ARG 40 2HG ARG 40 7.570 -0.168 -0.706
132 2HG ARG 40 1HG ARG 40 7.579 1.271 -1.727
133 1HD ARG 40 2HD ARG 40 9.934 1.636 -1.190
134 2HD ARG 40 1HD ARG 40 9.927 0.195 -0.172
135 HE ARG 40 HE ARG 40 9.121 -0.184 -2.938
136 1HH1 ARG 40 1HH1 ARG 40 11.702 -0.397 -0.570
137 2HH1 ARG 40 2HH1 ARG 40 12.672 -1.458 -1.544
138 1HH2 ARG 40 1HH2 ARG 40 10.387 -1.547 -4.209
139 2HH2 ARG 40 2HH2 ARG 40 11.916 -2.124 -3.621
140 H VAL 41 H VAL 41 6.427 0.306 2.749
141 HA VAL 41 HA VAL 41 5.726 -2.209 1.657
142 HB VAL 41 HB VAL 41 5.884 -1.280 4.529
143 1HG1 VAL 41 3HG1 VAL 41 5.577 -4.087 3.474
144 2HG1 VAL 41 2HG1 VAL 41 5.909 -3.650 5.149
145 3HG1 VAL 41 1HG1 VAL 41 4.380 -3.185 4.403
146 1HG2 VAL 41 2HG2 VAL 41 7.771 -2.889 2.817
147 2HG2 VAL 41 1HG2 VAL 41 8.008 -1.235 3.380
148 3HG2 VAL 41 3HG2 VAL 41 7.984 -2.563 4.537
149 H ARG 42 H ARG 42 3.896 0.281 3.380
150 HA ARG 42 HA ARG 42 1.540 -1.226 3.729
151 1HB ARG 42 2HB ARG 42 1.952 1.753 3.497
152 2HB ARG 42 1HB ARG 42 0.388 1.026 3.834
153 1HG ARG 42 2HG ARG 42 1.590 -0.113 5.806
154 2HG ARG 42 1HG ARG 42 2.837 1.110 5.547
155 1HD ARG 42 2HD ARG 42 -0.087 1.633 6.082
156 2HD ARG 42 1HD ARG 42 1.226 1.818 7.241
157 HE ARG 42 HE ARG 42 1.832 3.417 5.045
158 1HH1 ARG 42 1HH1 ARG 42 -0.671 3.207 7.494
159 2HH1 ARG 42 2HH1 ARG 42 -0.921 4.928 7.554
160 1HH2 ARG 42 1HH2 ARG 42 1.476 5.700 5.117
161 2HH2 ARG 42 2HH2 ARG 42 0.271 6.326 6.214
162 H TRP 43 H TRP 43 2.504 1.041 1.153
163 HA TRP 43 HA TRP 43 0.138 0.815 -0.374
164 1HB TRP 43 2HB TRP 43 2.534 2.238 -0.566
165 2HB TRP 43 1HB TRP 43 2.553 1.197 -1.982
166 HD1 TRP 43 HD1 TRP 43 2.087 4.487 -1.826
167 HE1 TRP 43 HE1 TRP 43 0.083 5.434 -3.123
168 HE3 TRP 43 HE3 TRP 43 -0.707 0.237 -2.247
169 HZ2 TRP 43 HZ2 TRP 43 -2.359 4.520 -4.162
170 HZ3 TRP 43 HZ3 TRP 43 -2.866 0.364 -3.392
171 HH2 TRP 43 HH2 TRP 43 -3.672 2.456 -4.312
172 H GLU 44 H GLU 44 3.195 -0.970 -0.461
173 HA GLU 44 HA GLU 44 2.677 -2.625 -2.640
174 1HB GLU 44 2HB GLU 44 4.863 -2.445 -1.538
175 2HB GLU 44 1HB GLU 44 4.219 -3.235 -0.108
176 1HG GLU 44 2HG GLU 44 3.897 -4.771 -2.574
177 2HG GLU 44 1HG GLU 44 5.571 -4.467 -2.114
178 H HIS 45 H HIS 45 1.601 -2.813 0.694
179 HA HIS 45 HA HIS 45 0.510 -5.459 0.467
180 1HB HIS 45 2HB HIS 45 1.278 -4.209 2.609
181 2HB HIS 45 1HB HIS 45 -0.285 -3.408 2.536
182 HD1 HIS 45 HD1 HIS 45 1.282 -6.095 4.160
183 HD2 HIS 45 HD2 HIS 45 -2.450 -5.608 2.355
184 HE1 HIS 45 HE1 HIS 45 -0.190 -7.882 5.143
185 HE2 HIS 45 HE2 HIS 45 -2.483 -7.405 4.223
186 H ILE 46 H ILE 46 -0.680 -2.158 0.179
187 HA ILE 46 HA ILE 46 -3.439 -2.725 0.073
188 HB ILE 46 HB ILE 46 -2.136 -0.492 -1.478
189 1HG1 ILE 46 2HG1 ILE 46 -2.804 -0.538 1.469
190 2HG1 ILE 46 1HG1 ILE 46 -1.187 -0.448 0.773
191 1HG2 ILE 46 2HG2 ILE 46 -4.533 -0.832 -1.798
192 2HG2 ILE 46 1HG2 ILE 46 -4.779 -0.698 -0.051
193 3HG2 ILE 46 3HG2 ILE 46 -4.188 0.692 -0.971
194 1HD1 ILE 46 3HD1 ILE 46 -1.994 1.689 -0.369
195 2HD1 ILE 46 2HD1 ILE 46 -3.349 1.613 0.759
196 3HD1 ILE 46 1HD1 ILE 46 -1.704 1.744 1.379
197 H GLN 47 H GLN 47 -0.905 -2.781 -2.339
198 HA GLN 47 HA GLN 47 -2.647 -2.941 -4.596
199 1HB GLN 47 2HB GLN 47 0.303 -3.477 -4.260
200 2HB GLN 47 1HB GLN 47 -0.519 -3.655 -5.801
201 1HG GLN 47 2HG GLN 47 -0.453 -1.103 -4.211
202 2HG GLN 47 1HG GLN 47 0.683 -1.503 -5.496
203 1HE2 GLN 47 1HE2 GLN 47 -1.183 0.722 -5.350
204 2HE2 GLN 47 2HE2 GLN 47 -2.219 0.574 -6.730
205 H ARG 48 H ARG 48 -0.666 -5.322 -2.846
206 HA ARG 48 HA ARG 48 -1.352 -7.509 -4.451
207 1HB ARG 48 2HB ARG 48 -0.628 -8.915 -2.486
208 2HB ARG 48 1HB ARG 48 0.555 -7.762 -3.086
209 1HG ARG 48 2HG ARG 48 0.802 -7.425 -0.874
210 2HG ARG 48 1HG ARG 48 -0.499 -6.273 -1.173
211 1HD ARG 48 2HD ARG 48 -1.022 -7.572 0.781
212 2HD ARG 48 1HD ARG 48 -2.131 -7.993 -0.526
213 HE ARG 48 HE ARG 48 -1.217 -10.112 -0.612
214 1HH1 ARG 48 1HH1 ARG 48 0.823 -8.112 1.449
215 2HH1 ARG 48 2HH1 ARG 48 1.613 -9.474 2.170
216 1HH2 ARG 48 1HH2 ARG 48 -0.158 -11.873 0.355
217 2HH2 ARG 48 2HH2 ARG 48 1.081 -11.591 1.549
218 H ILE 49 H ILE 49 -3.090 -6.037 -1.799
219 HA ILE 49 HA ILE 49 -4.945 -8.257 -1.702
220 HB ILE 49 HB ILE 49 -4.500 -7.233 0.403
221 1HG1 ILE 49 2HG1 ILE 49 -6.725 -6.801 1.193
222 2HG1 ILE 49 1HG1 ILE 49 -7.259 -6.332 -0.417
223 1HG2 ILE 49 3HG2 ILE 49 -3.827 -5.041 -0.432
224 2HG2 ILE 49 2HG2 ILE 49 -5.524 -4.662 -0.741
225 3HG2 ILE 49 1HG2 ILE 49 -4.972 -4.935 0.910
226 1HD1 ILE 49 3HD1 ILE 49 -6.189 -9.071 -0.018
227 2HD1 ILE 49 2HD1 ILE 49 -7.811 -8.698 0.567
228 3HD1 ILE 49 1HD1 ILE 49 -7.412 -8.492 -1.141
229 H TYR 50 H TYR 50 -4.949 -4.900 -2.854
230 HA TYR 50 HA TYR 50 -7.664 -4.663 -3.430
231 1HB TYR 50 2HB TYR 50 -5.785 -2.891 -3.483
232 2HB TYR 50 1HB TYR 50 -5.516 -3.420 -5.139
233 HD1 TYR 50 HD1 TYR 50 -8.182 -2.141 -2.878
234 HD2 TYR 50 HD2 TYR 50 -6.745 -2.448 -6.871
235 HE1 TYR 50 HE1 TYR 50 -9.943 -0.598 -3.623
236 HE2 TYR 50 HE2 TYR 50 -8.505 -0.903 -7.628
237 HH TYR 50 HH TYR 50 -10.274 1.025 -5.566
238 H GLU 51 H GLU 51 -5.024 -5.983 -5.351
239 HA GLU 51 HA GLU 51 -6.583 -6.398 -7.696
240 1HB GLU 51 2HB GLU 51 -3.922 -7.522 -6.820
241 2HB GLU 51 1HB GLU 51 -4.631 -7.804 -8.405
242 1HG GLU 51 2HG GLU 51 -4.064 -5.056 -7.325
243 2HG GLU 51 1HG GLU 51 -2.908 -5.982 -8.283
244 H MET 52 H MET 52 -5.743 -8.458 -4.916
245 HA MET 52 HA MET 52 -6.710 -10.826 -6.225
246 1HB MET 52 2HB MET 52 -6.283 -12.010 -4.161
247 2HB MET 52 1HB MET 52 -4.918 -10.979 -4.552
248 1HG MET 52 2HG MET 52 -5.543 -9.406 -2.876
249 2HG MET 52 1HG MET 52 -7.063 -10.240 -2.580
250 1HE MET 52 2HE MET 52 -3.134 -10.646 -2.457
251 2HE MET 52 1HE MET 52 -2.992 -12.205 -1.646
252 3HE MET 52 3HE MET 52 -3.697 -12.112 -3.258
253 H CYS 53 H CYS 53 -8.102 -8.484 -3.996
254 HA CYS 53 HA CYS 53 -10.486 -10.142 -3.715
255 1HB CYS 53 2HB CYS 53 -9.461 -8.794 -1.804
256 2HB CYS 53 1HB CYS 53 -10.096 -7.363 -2.614
257 HG CYS 53 HG CYS 53 -12.708 -9.055 -2.560
258 H ASP 54 H ASP 54 -9.401 -8.461 -6.137
259 HA ASP 54 HA ASP 54 -10.279 -7.457 -7.962
260 1HB ASP 54 2HB ASP 54 -11.732 -9.460 -7.909
261 2HB ASP 54 1HB ASP 54 -12.903 -8.565 -6.946
262 H ARG 55 H ARG 55 -9.693 -5.549 -6.474
263 HA ARG 55 HA ARG 55 -10.029 -3.342 -6.109
264 1HB ARG 55 2HB ARG 55 -12.448 -3.724 -7.872
265 2HB ARG 55 1HB ARG 55 -11.663 -2.190 -7.498
266 1HG ARG 55 2HG ARG 55 -9.590 -3.063 -8.544
267 2HG ARG 55 1HG ARG 55 -10.489 -4.503 -9.020
268 1HD ARG 55 2HD ARG 55 -12.079 -3.004 -10.231
269 2HD ARG 55 1HD ARG 55 -10.982 -1.666 -9.887
270 HE ARG 55 HE ARG 55 -9.754 -3.940 -11.185
271 1HH1 ARG 55 1HH1 ARG 55 -11.284 -0.826 -11.618
272 2HH1 ARG 55 2HH1 ARG 55 -10.703 -0.616 -13.241
273 1HH2 ARG 55 1HH2 ARG 55 -8.995 -3.695 -13.307
274 2HH2 ARG 55 2HH2 ARG 55 -9.386 -2.258 -14.208
275 H ASN 56 H ASN 56 -11.415 -5.387 -4.378
276 HA ASN 56 HA ASN 56 -13.679 -3.860 -3.374
277 1HB ASN 56 2HB ASN 56 -13.894 -6.300 -3.546
278 2HB ASN 56 1HB ASN 56 -12.538 -6.498 -2.443
279 1HD2 ASN 56 1HD2 ASN 56 -13.819 -7.652 -0.993
280 2HD2 ASN 56 2HD2 ASN 56 -14.985 -6.861 0.014
281 H VAL 57 H VAL 57 -13.327 -2.276 -2.013
282 HA VAL 57 HA VAL 57 -10.756 -1.859 -0.860
283 HB VAL 57 HB VAL 57 -13.316 -0.328 -0.376
284 1HG1 VAL 57 1HG1 VAL 57 -10.437 0.466 0.046
285 2HG1 VAL 57 3HG1 VAL 57 -11.833 1.527 0.232
286 3HG1 VAL 57 2HG1 VAL 57 -11.624 0.147 1.308
287 1HG2 VAL 57 2HG2 VAL 57 -11.135 0.087 -2.417
288 2HG2 VAL 57 1HG2 VAL 57 -12.802 -0.398 -2.737
289 3HG2 VAL 57 3HG2 VAL 57 -12.459 1.210 -2.099
290 H SER 58 H SER 58 -13.727 -3.247 0.330
291 HA SER 58 HA SER 58 -13.337 -2.718 3.066
292 1HB SER 58 2HB SER 58 -14.944 -4.604 3.435
293 2HB SER 58 1HB SER 58 -15.517 -3.383 2.299
294 HG SER 58 HG SER 58 -15.902 -5.205 1.223
295 H GLU 59 H GLU 59 -12.547 -5.645 1.154
296 HA GLU 59 HA GLU 59 -11.212 -6.901 3.332
297 1HB GLU 59 2HB GLU 59 -12.072 -8.176 1.379
298 2HB GLU 59 1HB GLU 59 -10.845 -7.424 0.368
299 1HG GLU 59 2HG GLU 59 -10.120 -9.634 0.949
300 2HG GLU 59 1HG GLU 59 -9.091 -8.475 1.786
301 H THR 60 H THR 60 -10.162 -4.836 0.675
302 HA THR 60 HA THR 60 -7.416 -5.068 1.002
303 HB THR 60 HB THR 60 -8.872 -2.505 0.314
304 HG1 THR 60 HG1 THR 60 -9.531 -4.121 -1.121
305 1HG2 THR 60 3HG2 THR 60 -6.469 -2.239 0.819
306 2HG2 THR 60 2HG2 THR 60 -6.097 -3.494 -0.367
307 3HG2 THR 60 1HG2 THR 60 -6.812 -1.968 -0.894
308 H ALA 61 H ALA 61 -9.633 -2.751 2.536
309 HA ALA 61 HA ALA 61 -7.737 -1.519 4.205
310 1HB ALA 61 1HB ALA 61 -10.702 -1.881 4.626
311 2HB ALA 61 3HB ALA 61 -9.669 -0.717 5.461
312 3HB ALA 61 2HB ALA 61 -9.936 -0.571 3.723
313 H ARG 62 H ARG 62 -9.887 -4.298 4.742
314 HA ARG 62 HA ARG 62 -9.320 -4.597 7.501
315 1HB ARG 62 2HB ARG 62 -11.153 -5.687 5.847
316 2HB ARG 62 1HB ARG 62 -10.004 -7.014 5.911
317 1HG ARG 62 2HG ARG 62 -11.329 -5.730 8.295
318 2HG ARG 62 1HG ARG 62 -11.794 -7.262 7.559
319 1HD ARG 62 2HD ARG 62 -9.094 -6.685 8.774
320 2HD ARG 62 1HD ARG 62 -10.412 -7.512 9.602
321 HE ARG 62 HE ARG 62 -10.114 -9.008 7.384
322 1HH1 ARG 62 1HH1 ARG 62 -7.783 -7.776 9.679
323 2HH1 ARG 62 2HH1 ARG 62 -6.712 -9.138 9.542
324 1HH2 ARG 62 1HH2 ARG 62 -8.717 -10.808 7.191
325 2HH2 ARG 62 2HH2 ARG 62 -7.256 -10.882 8.132
326 H ARG 63 H ARG 63 -7.934 -5.975 4.577
327 HA ARG 63 HA ARG 63 -6.130 -7.712 6.002
328 1HB ARG 63 2HB ARG 63 -7.171 -8.176 3.753
329 2HB ARG 63 1HB ARG 63 -6.115 -6.947 3.081
330 1HG ARG 63 2HG ARG 63 -4.207 -8.239 3.400
331 2HG ARG 63 1HG ARG 63 -5.009 -9.300 4.567
332 1HD ARG 63 2HD ARG 63 -6.403 -10.228 2.836
333 2HD ARG 63 1HD ARG 63 -5.765 -9.084 1.662
334 HE ARG 63 HE ARG 63 -3.882 -10.371 1.443
335 1HH1 ARG 63 1HH1 ARG 63 -5.855 -11.564 4.084
336 2HH1 ARG 63 2HH1 ARG 63 -4.964 -13.049 4.241
337 1HH2 ARG 63 1HH2 ARG 63 -2.718 -12.356 1.641
338 2HH2 ARG 63 2HH2 ARG 63 -3.191 -13.488 2.873
339 H LEU 64 H LEU 64 -6.170 -4.462 5.033
340 HA LEU 64 HA LEU 64 -3.293 -4.104 5.300
341 1HB LEU 64 2HB LEU 64 -5.599 -2.413 4.511
342 2HB LEU 64 1HB LEU 64 -4.311 -1.583 5.359
343 HG LEU 64 HG LEU 64 -4.191 -1.498 2.818
344 1HD1 LEU 64 1HD1 LEU 64 -2.256 -1.042 4.259
345 2HD1 LEU 64 3HD1 LEU 64 -1.864 -2.761 4.278
346 3HD1 LEU 64 2HD1 LEU 64 -1.780 -1.855 2.767
347 1HD2 LEU 64 2HD2 LEU 64 -3.518 -4.408 3.216
348 2HD2 LEU 64 1HD2 LEU 64 -4.885 -3.748 2.321
349 3HD2 LEU 64 3HD2 LEU 64 -3.242 -3.496 1.733
350 H ASN 65 H ASN 65 -5.865 -4.568 7.300
351 HA ASN 65 HA ASN 65 -6.333 -4.326 9.491
352 1HB ASN 65 2HB ASN 65 -3.918 -5.191 9.565
353 2HB ASN 65 1HB ASN 65 -3.450 -3.525 9.882
354 1HD2 ASN 65 1HD2 ASN 65 -2.683 -3.952 11.873
355 2HD2 ASN 65 2HD2 ASN 65 -3.681 -4.358 13.225
356 H MET 66 H MET 66 -6.910 -2.247 7.831
357 HA MET 66 HA MET 66 -6.271 0.183 9.333
358 1HB MET 66 2HB MET 66 -4.500 0.082 7.769
359 2HB MET 66 1HB MET 66 -5.558 -0.480 6.486
360 1HG MET 66 2HG MET 66 -6.297 2.129 7.493
361 2HG MET 66 1HG MET 66 -4.660 2.067 6.843
362 1HE MET 66 1HE MET 66 -4.057 1.115 4.556
363 2HE MET 66 3HE MET 66 -4.976 1.773 3.201
364 3HE MET 66 2HE MET 66 -4.376 2.858 4.457
365 H HIS 67 H HIS 67 -7.562 2.006 8.718
366 HA HIS 67 HA HIS 67 -10.311 1.255 8.282
367 1HB HIS 67 2HB HIS 67 -8.851 3.311 9.582
368 2HB HIS 67 1HB HIS 67 -9.933 4.077 8.419
369 HD1 HIS 67 HD1 HIS 67 -11.123 4.993 10.665
370 HD2 HIS 67 HD2 HIS 67 -11.468 0.913 9.922
371 HE1 HIS 67 HE1 HIS 67 -13.006 4.193 12.126
372 HE2 HIS 67 HE2 HIS 67 -13.320 1.767 11.517
373 H ARG 68 H ARG 68 -11.698 2.164 6.661
374 HA ARG 68 HA ARG 68 -10.511 2.171 4.092
375 1HB ARG 68 2HB ARG 68 -13.297 2.785 5.034
376 2HB ARG 68 1HB ARG 68 -12.840 2.987 3.349
377 1HG ARG 68 2HG ARG 68 -13.743 0.867 3.383
378 2HG ARG 68 1HG ARG 68 -12.011 0.555 3.509
379 1HD ARG 68 2HD ARG 68 -13.005 -0.847 5.102
380 2HD ARG 68 1HD ARG 68 -12.364 0.511 6.026
381 HE ARG 68 HE ARG 68 -14.944 1.234 5.487
382 1HH1 ARG 68 1HH1 ARG 68 -13.371 -1.446 7.090
383 2HH1 ARG 68 2HH1 ARG 68 -14.774 -1.890 8.018
384 1HH2 ARG 68 1HH2 ARG 68 -16.786 0.687 6.738
385 2HH2 ARG 68 2HH2 ARG 68 -16.722 -0.678 7.811
386 H ARG 69 H ARG 69 -11.227 4.723 6.319
387 HA ARG 69 HA ARG 69 -11.247 6.914 4.562
388 1HB ARG 69 2HB ARG 69 -10.180 6.757 7.388
389 2HB ARG 69 1HB ARG 69 -10.503 8.248 6.513
390 1HG ARG 69 2HG ARG 69 -12.534 6.167 7.290
391 2HG ARG 69 1HG ARG 69 -12.299 7.740 8.058
392 1HD ARG 69 2HD ARG 69 -12.926 8.870 6.010
393 2HD ARG 69 1HD ARG 69 -13.054 7.328 5.166
394 HE ARG 69 HE ARG 69 -14.753 7.311 7.414
395 1HH1 ARG 69 1HH1 ARG 69 -14.472 8.757 4.223
396 2HH1 ARG 69 2HH1 ARG 69 -16.191 8.969 4.038
397 1HH2 ARG 69 1HH2 ARG 69 -16.988 7.597 7.167
398 2HH2 ARG 69 2HH2 ARG 69 -17.621 8.305 5.714
399 H THR 70 H THR 70 -8.697 4.946 5.818
400 HA THR 70 HA THR 70 -6.572 6.602 4.798
401 HB THR 70 HB THR 70 -6.376 3.786 5.848
402 HG1 THR 70 HG1 THR 70 -6.542 4.562 7.832
403 1HG2 THR 70 3HG2 THR 70 -4.373 4.696 4.720
404 2HG2 THR 70 2HG2 THR 70 -4.402 6.084 5.807
405 3HG2 THR 70 1HG2 THR 70 -4.102 4.468 6.448
406 H LEU 71 H LEU 71 -7.879 3.376 4.093
407 HA LEU 71 HA LEU 71 -6.304 2.712 1.907
408 1HB LEU 71 2HB LEU 71 -8.250 1.486 3.280
409 2HB LEU 71 1HB LEU 71 -9.188 1.960 1.881
410 HG LEU 71 HG LEU 71 -8.489 -0.291 1.563
411 1HD1 LEU 71 1HD1 LEU 71 -8.426 1.083 -0.434
412 2HD1 LEU 71 3HD1 LEU 71 -6.734 1.476 -0.120
413 3HD1 LEU 71 2HD1 LEU 71 -7.202 -0.186 -0.484
414 1HD2 LEU 71 3HD2 LEU 71 -6.615 -0.281 3.168
415 2HD2 LEU 71 2HD2 LEU 71 -6.204 -1.058 1.640
416 3HD2 LEU 71 1HD2 LEU 71 -5.636 0.576 1.981
417 H GLN 72 H GLN 72 -9.490 4.300 1.898
418 HA GLN 72 HA GLN 72 -9.719 4.556 -0.902
419 1HB GLN 72 2HB GLN 72 -11.040 5.900 1.426
420 2HB GLN 72 1HB GLN 72 -11.342 6.470 -0.210
421 1HG GLN 72 2HG GLN 72 -11.770 3.637 0.709
422 2HG GLN 72 1HG GLN 72 -13.029 4.869 0.643
423 1HE2 GLN 72 1HE2 GLN 72 -13.761 5.588 -1.345
424 2HE2 GLN 72 2HE2 GLN 72 -13.465 4.714 -2.807
425 H ARG 73 H ARG 73 -8.538 6.846 1.538
426 HA ARG 73 HA ARG 73 -8.141 8.974 -0.274
427 1HB ARG 73 2HB ARG 73 -8.321 9.326 2.115
428 2HB ARG 73 1HB ARG 73 -6.869 8.380 2.396
429 1HG ARG 73 2HG ARG 73 -5.477 10.048 1.552
430 2HG ARG 73 1HG ARG 73 -6.812 10.878 0.743
431 1HD ARG 73 2HD ARG 73 -7.697 11.663 2.758
432 2HD ARG 73 1HD ARG 73 -6.748 10.530 3.717
433 HE ARG 73 HE ARG 73 -5.143 12.411 2.244
434 1HH1 ARG 73 1HH1 ARG 73 -6.988 11.884 5.179
435 2HH1 ARG 73 2HH1 ARG 73 -6.054 13.014 6.121
436 1HH2 ARG 73 1HH2 ARG 73 -3.908 13.897 3.484
437 2HH2 ARG 73 2HH2 ARG 73 -4.347 14.188 5.144
438 H ILE 74 H ILE 74 -6.139 6.285 0.708
439 HA ILE 74 HA ILE 74 -3.726 7.119 -0.519
440 HB ILE 74 HB ILE 74 -4.796 4.414 0.271
441 1HG1 ILE 74 2HG1 ILE 74 -2.502 6.015 1.403
442 2HG1 ILE 74 1HG1 ILE 74 -4.153 6.145 2.003
443 1HG2 ILE 74 1HG2 ILE 74 -3.208 4.264 -1.675
444 2HG2 ILE 74 3HG2 ILE 74 -1.965 4.937 -0.617
445 3HG2 ILE 74 2HG2 ILE 74 -2.727 3.389 -0.225
446 1HD1 ILE 74 1HD1 ILE 74 -2.488 3.638 1.987
447 2HD1 ILE 74 3HD1 ILE 74 -2.792 4.672 3.384
448 3HD1 ILE 74 2HD1 ILE 74 -4.127 3.801 2.626
449 H LEU 75 H LEU 75 -6.371 5.004 -1.633
450 HA LEU 75 HA LEU 75 -5.363 4.548 -4.243
451 1HB LEU 75 2HB LEU 75 -8.258 4.663 -3.372
452 2HB LEU 75 1HB LEU 75 -7.633 3.875 -4.806
453 HG LEU 75 HG LEU 75 -6.981 3.017 -1.986
454 1HD1 LEU 75 1HD1 LEU 75 -9.357 2.740 -2.459
455 2HD1 LEU 75 3HD1 LEU 75 -8.966 1.877 -3.946
456 3HD1 LEU 75 2HD1 LEU 75 -8.534 1.181 -2.383
457 1HD2 LEU 75 1HD2 LEU 75 -6.508 1.725 -4.668
458 2HD2 LEU 75 3HD2 LEU 75 -5.282 2.383 -3.587
459 3HD2 LEU 75 2HD2 LEU 75 -6.209 0.962 -3.106
460 H ALA 76 H ALA 76 -7.593 6.920 -2.904
461 HA ALA 76 HA ALA 76 -8.348 8.117 -5.358
462 1HB ALA 76 1HB ALA 76 -9.553 9.669 -4.016
463 2HB ALA 76 3HB ALA 76 -9.649 8.099 -3.205
464 3HB ALA 76 2HB ALA 76 -8.539 9.338 -2.611
465 H LYS 77 H LYS 77 -5.516 8.376 -3.561
466 HA LYS 77 HA LYS 77 -4.893 11.104 -4.074
467 1HB LYS 77 2HB LYS 77 -3.850 9.646 -2.293
468 2HB LYS 77 1HB LYS 77 -2.946 8.850 -3.572
469 1HG LYS 77 2HG LYS 77 -2.793 11.813 -3.316
470 2HG LYS 77 1HG LYS 77 -1.891 10.794 -2.186
471 1HD LYS 77 2HD LYS 77 -0.818 9.670 -4.109
472 2HD LYS 77 1HD LYS 77 -1.684 10.753 -5.204
473 1HE LYS 77 2HE LYS 77 0.340 11.542 -3.101
474 2HE LYS 77 1HE LYS 77 0.578 11.558 -4.849
475 1HZ LYS 77 3HZ LYS 77 -1.155 13.249 -5.025
476 2HZ LYS 77 2HZ LYS 77 -1.347 13.244 -3.343
477 3HZ LYS 77 1HZ LYS 77 0.109 13.770 -4.021
478 H ARG 78 H ARG 78 -4.673 8.153 -5.875
479 HA ARG 78 HA ARG 78 -2.944 9.237 -7.919
480 1HB ARG 78 2HB ARG 78 -4.462 6.683 -7.569
481 2HB ARG 78 1HB ARG 78 -3.883 7.124 -9.168
482 1HG ARG 78 2HG ARG 78 -2.230 5.734 -8.254
483 2HG ARG 78 1HG ARG 78 -1.597 7.375 -8.131
484 1HD ARG 78 2HD ARG 78 -2.117 7.473 -5.799
485 2HD ARG 78 1HD ARG 78 -2.972 5.931 -5.874
486 HE ARG 78 HE ARG 78 -0.951 4.822 -5.892
487 1HH1 ARG 78 1HH1 ARG 78 -0.412 8.266 -6.201
488 2HH1 ARG 78 2HH1 ARG 78 1.293 8.156 -5.900
489 1HH2 ARG 78 1HH2 ARG 78 1.312 4.681 -5.514
490 2HH2 ARG 78 2HH2 ARG 78 2.268 6.132 -5.539
491 H SER 79 H SER 79 -4.877 10.987 -7.498
492 HA SER 79 HA SER 79 -6.196 11.177 -10.056
493 1HB SER 79 2HB SER 79 -7.777 11.218 -7.453
494 2HB SER 79 1HB SER 79 -8.429 11.586 -9.050
495 HG SER 79 HG SER 79 -7.144 9.197 -9.014
496 HA PRO 80 HA PRO 80 -5.597 15.581 -9.279
497 1HB PRO 80 2HB PRO 80 -8.506 16.146 -9.187
498 2HB PRO 80 1HB PRO 80 -7.260 16.836 -10.231
499 1HG PRO 80 2HG PRO 80 -9.046 15.079 -11.169
500 2HG PRO 80 1HG PRO 80 -7.367 15.093 -11.741
501 1HD PRO 80 2HD PRO 80 -8.710 13.230 -9.835
502 2HD PRO 80 1HD PRO 80 -7.473 12.893 -11.062
503 H ARG 81 H ARG 81 -7.956 13.900 -7.383
504 HA ARG 81 HA ARG 81 -8.683 13.986 -5.252
505 1HB ARG 81 2HB ARG 81 -5.979 13.877 -5.127
506 2HB ARG 81 1HB ARG 81 -6.264 15.376 -4.257
507 1HG ARG 81 2HG ARG 81 -7.488 12.709 -3.579
508 2HG ARG 81 1HG ARG 81 -6.098 13.433 -2.775
509 1HD ARG 81 2HD ARG 81 -7.927 13.888 -1.376
510 2HD ARG 81 1HD ARG 81 -7.615 15.393 -2.234
511 HE ARG 81 HE ARG 81 -9.525 14.821 -3.680
512 1HH1 ARG 81 1HH1 ARG 81 -9.271 13.303 -0.540
513 2HH1 ARG 81 2HH1 ARG 81 -10.965 12.919 -0.438
514 1HH2 ARG 81 1HH2 ARG 81 -11.756 14.363 -3.557
515 2HH2 ARG 81 2HH2 ARG 81 -12.383 13.523 -2.164
No H/Q in entry = 515
Start of MODEL 5
1 H1 LEU 22 3H LEU 22 22.493 -5.757 -10.629
2 H2 LEU 22 2H LEU 22 22.480 -5.968 -12.305
3 H3 LEU 22 1H LEU 22 21.146 -5.268 -11.523
4 HA LEU 22 HA LEU 22 20.563 -7.479 -12.044
5 1HB LEU 22 2HB LEU 22 23.092 -8.243 -10.574
6 2HB LEU 22 1HB LEU 22 21.892 -9.371 -11.170
7 HG LEU 22 HG LEU 22 23.628 -7.573 -12.859
8 1HD1 LEU 22 3HD1 LEU 22 24.838 -9.441 -11.877
9 2HD1 LEU 22 2HD1 LEU 22 23.617 -10.564 -12.481
10 3HD1 LEU 22 1HD1 LEU 22 24.631 -9.670 -13.612
11 1HD2 LEU 22 3HD2 LEU 22 21.417 -7.869 -13.853
12 2HD2 LEU 22 2HD2 LEU 22 22.650 -8.737 -14.769
13 3HD2 LEU 22 1HD2 LEU 22 21.572 -9.620 -13.688
14 H ALA 23 H ALA 23 20.516 -9.395 -10.004
15 HA ALA 23 HA ALA 23 18.808 -8.025 -8.130
16 1HB ALA 23 2HB ALA 23 18.206 -10.195 -9.142
17 2HB ALA 23 1HB ALA 23 19.534 -10.950 -8.264
18 3HB ALA 23 3HB ALA 23 18.186 -10.234 -7.379
19 H LYS 24 H LYS 24 19.264 -9.906 -5.953
20 HA LYS 24 HA LYS 24 20.757 -8.308 -4.264
21 1HB LYS 24 2HB LYS 24 19.105 -10.002 -3.552
22 2HB LYS 24 1HB LYS 24 20.237 -11.271 -3.989
23 1HG LYS 24 2HG LYS 24 21.821 -10.357 -2.314
24 2HG LYS 24 1HG LYS 24 20.575 -9.212 -1.822
25 1HD LYS 24 2HD LYS 24 20.254 -12.213 -1.760
26 2HD LYS 24 1HD LYS 24 20.733 -11.238 -0.374
27 1HE LYS 24 2HE LYS 24 18.433 -11.564 -0.095
28 2HE LYS 24 1HE LYS 24 18.566 -9.938 -0.759
29 1HZ LYS 24 2HZ LYS 24 18.068 -12.304 -2.471
30 2HZ LYS 24 1HZ LYS 24 16.805 -11.434 -1.744
31 3HZ LYS 24 3HZ LYS 24 17.834 -10.670 -2.849
32 H GLY 25 H GLY 25 21.782 -11.155 -6.087
33 1HA GLY 25 1HA GLY 25 23.852 -12.027 -6.538
34 2HA GLY 25 2HA GLY 25 24.291 -11.549 -4.906
35 H GLU 26 H GLU 26 23.261 -9.098 -7.104
36 HA GLU 26 HA GLU 26 25.980 -8.370 -7.843
37 1HB GLU 26 2HB GLU 26 24.186 -8.150 -9.503
38 2HB GLU 26 1HB GLU 26 23.323 -7.053 -8.437
39 1HG GLU 26 2HG GLU 26 24.369 -5.733 -10.084
40 2HG GLU 26 1HG GLU 26 25.283 -5.503 -8.595
41 H SER 27 H SER 27 23.238 -6.561 -6.498
42 HA SER 27 HA SER 27 24.448 -5.617 -4.181
43 1HB SER 27 2HB SER 27 26.034 -4.497 -5.741
44 2HB SER 27 1HB SER 27 24.677 -3.676 -6.508
45 HG SER 27 HG SER 27 25.255 -2.209 -5.069
46 H LEU 28 H LEU 28 23.178 -3.755 -3.265
47 HA LEU 28 HA LEU 28 20.400 -4.095 -3.811
48 1HB LEU 28 2HB LEU 28 21.941 -2.222 -2.031
49 2HB LEU 28 1HB LEU 28 20.208 -2.070 -2.222
50 HG LEU 28 HG LEU 28 20.639 -3.277 -0.205
51 1HD1 LEU 28 1HD1 LEU 28 19.729 -5.162 -2.363
52 2HD1 LEU 28 3HD1 LEU 28 19.466 -5.373 -0.631
53 3HD1 LEU 28 2HD1 LEU 28 18.723 -4.014 -1.478
54 1HD2 LEU 28 3HD2 LEU 28 22.261 -5.192 -1.870
55 2HD2 LEU 28 2HD2 LEU 28 22.889 -4.055 -0.674
56 3HD2 LEU 28 1HD2 LEU 28 21.859 -5.395 -0.165
57 HA PRO 29 HA PRO 29 19.432 -1.585 -7.297
58 1HB PRO 29 2HB PRO 29 17.545 -0.473 -5.249
59 2HB PRO 29 1HB PRO 29 17.246 -0.856 -6.951
60 1HG PRO 29 2HG PRO 29 16.604 -2.545 -4.928
61 2HG PRO 29 1HG PRO 29 17.053 -3.100 -6.547
62 1HD PRO 29 2HD PRO 29 18.499 -3.423 -4.053
63 2HD PRO 29 1HD PRO 29 18.856 -4.117 -5.645
64 HA PRO 30 HA PRO 30 22.115 1.937 -6.262
65 1HB PRO 30 2HB PRO 30 21.944 2.858 -8.908
66 2HB PRO 30 1HB PRO 30 23.224 1.868 -8.208
67 1HG PRO 30 2HG PRO 30 20.887 1.061 -9.849
68 2HG PRO 30 1HG PRO 30 22.508 0.351 -9.768
69 1HD PRO 30 2HD PRO 30 20.379 -0.822 -8.626
70 2HD PRO 30 1HD PRO 30 21.999 -0.913 -7.906
71 HA PRO 31 HA PRO 31 18.533 5.042 -8.102
72 1HB PRO 31 2HB PRO 31 16.473 3.135 -7.047
73 2HB PRO 31 1HB PRO 31 16.320 4.368 -8.307
74 1HG PRO 31 2HG PRO 31 16.631 1.817 -8.963
75 2HG PRO 31 1HG PRO 31 17.456 3.092 -9.876
76 1HD PRO 31 2HD PRO 31 18.562 1.133 -7.938
77 2HD PRO 31 1HD PRO 31 19.345 1.924 -9.321
78 HA PRO 32 HA PRO 32 18.770 6.685 -4.030
79 1HB PRO 32 2HB PRO 32 16.871 8.665 -4.265
80 2HB PRO 32 1HB PRO 32 18.525 8.787 -4.868
81 1HG PRO 32 2HG PRO 32 16.019 8.090 -6.340
82 2HG PRO 32 1HG PRO 32 17.367 9.122 -6.849
83 1HD PRO 32 2HD PRO 32 17.109 6.613 -7.752
84 2HD PRO 32 1HD PRO 32 18.705 7.316 -7.409
85 H GLU 33 H GLU 33 17.536 7.132 -2.106
86 HA GLU 33 HA GLU 33 16.122 6.516 -0.448
87 1HB GLU 33 2HB GLU 33 14.168 5.937 -2.688
88 2HB GLU 33 1HB GLU 33 13.763 5.954 -0.979
89 1HG GLU 33 2HG GLU 33 14.441 8.344 -0.907
90 2HG GLU 33 1HG GLU 33 14.659 8.285 -2.656
91 H ASN 34 H ASN 34 14.372 4.423 -0.141
92 HA ASN 34 HA ASN 34 15.977 2.081 -0.934
93 1HB ASN 34 2HB ASN 34 16.067 2.565 1.514
94 2HB ASN 34 1HB ASN 34 14.316 2.397 1.582
95 1HD2 ASN 34 1HD2 ASN 34 14.527 0.706 3.082
96 2HD2 ASN 34 2HD2 ASN 34 15.031 -0.882 2.593
97 HA PRO 35 HA PRO 35 12.584 0.816 -3.520
98 1HB PRO 35 2HB PRO 35 12.989 -1.897 -2.596
99 2HB PRO 35 1HB PRO 35 13.360 -1.196 -4.171
100 1HG PRO 35 2HG PRO 35 15.118 -1.640 -1.858
101 2HG PRO 35 1HG PRO 35 15.539 -1.404 -3.562
102 1HD PRO 35 2HD PRO 35 16.042 0.472 -1.704
103 2HD PRO 35 1HD PRO 35 15.565 0.906 -3.360
104 H MET 36 H MET 36 12.831 -0.498 -0.217
105 HA MET 36 HA MET 36 9.901 -0.579 -0.143
106 1HB MET 36 2HB MET 36 10.153 -1.967 1.906
107 2HB MET 36 1HB MET 36 10.837 -2.703 0.465
108 1HG MET 36 2HG MET 36 13.064 -2.103 1.174
109 2HG MET 36 1HG MET 36 12.415 -1.256 2.577
110 1HE MET 36 1HE MET 36 11.127 -4.656 1.074
111 2HE MET 36 3HE MET 36 12.871 -4.748 0.830
112 3HE MET 36 2HE MET 36 12.082 -5.824 1.985
113 H SER 37 H SER 37 9.712 1.676 0.075
114 HA SER 37 HA SER 37 10.625 3.006 2.452
115 1HB SER 37 2HB SER 37 10.054 4.198 0.323
116 2HB SER 37 1HB SER 37 8.363 3.759 0.568
117 HG SER 37 HG SER 37 9.604 5.875 1.484
118 H ALA 38 H ALA 38 8.934 3.905 4.061
119 HA ALA 38 HA ALA 38 7.473 1.735 5.159
120 1HB ALA 38 3HB ALA 38 7.186 4.675 5.778
121 2HB ALA 38 2HB ALA 38 6.627 3.333 6.777
122 3HB ALA 38 1HB ALA 38 8.355 3.589 6.534
123 H ASP 39 H ASP 39 6.677 4.534 3.223
124 HA ASP 39 HA ASP 39 3.895 4.039 3.122
125 1HB ASP 39 2HB ASP 39 5.729 5.645 1.348
126 2HB ASP 39 1HB ASP 39 3.998 5.523 1.050
127 H ARG 40 H ARG 40 6.647 3.063 1.184
128 HA ARG 40 HA ARG 40 5.195 1.948 -0.948
129 1HB ARG 40 2HB ARG 40 7.565 2.435 -1.203
130 2HB ARG 40 1HB ARG 40 7.968 1.257 0.041
131 1HG ARG 40 2HG ARG 40 8.387 0.350 -2.169
132 2HG ARG 40 1HG ARG 40 7.086 -0.536 -1.368
133 1HD ARG 40 2HD ARG 40 5.553 1.172 -2.618
134 2HD ARG 40 1HD ARG 40 6.957 1.368 -3.666
135 HE ARG 40 HE ARG 40 6.207 -1.382 -3.250
136 1HH1 ARG 40 1HH1 ARG 40 5.713 1.479 -5.219
137 2HH1 ARG 40 2HH1 ARG 40 5.017 0.594 -6.551
138 1HH2 ARG 40 1HH2 ARG 40 5.288 -2.542 -4.958
139 2HH2 ARG 40 2HH2 ARG 40 4.751 -1.700 -6.392
140 H VAL 41 H VAL 41 6.523 0.514 2.022
141 HA VAL 41 HA VAL 41 5.804 -2.140 1.533
142 HB VAL 41 HB VAL 41 5.963 -0.673 4.174
143 1HG1 VAL 41 3HG1 VAL 41 5.827 -3.640 3.634
144 2HG1 VAL 41 2HG1 VAL 41 6.169 -2.905 5.200
145 3HG1 VAL 41 1HG1 VAL 41 4.597 -2.666 4.437
146 1HG2 VAL 41 2HG2 VAL 41 8.060 -0.726 2.918
147 2HG2 VAL 41 1HG2 VAL 41 8.155 -1.736 4.359
148 3HG2 VAL 41 3HG2 VAL 41 7.936 -2.478 2.775
149 H ARG 42 H ARG 42 3.951 0.502 2.991
150 HA ARG 42 HA ARG 42 1.646 -1.012 3.574
151 1HB ARG 42 2HB ARG 42 1.981 1.934 3.010
152 2HB ARG 42 1HB ARG 42 0.473 1.205 3.555
153 1HG ARG 42 2HG ARG 42 1.737 0.352 5.552
154 2HG ARG 42 1HG ARG 42 3.081 1.369 5.032
155 1HD ARG 42 2HD ARG 42 0.306 2.410 5.517
156 2HD ARG 42 1HD ARG 42 1.546 2.361 6.767
157 HE ARG 42 HE ARG 42 2.096 3.808 4.273
158 1HH1 ARG 42 1HH1 ARG 42 1.451 3.823 7.709
159 2HH1 ARG 42 2HH1 ARG 42 1.974 5.463 7.936
160 1HH2 ARG 42 1HH2 ARG 42 2.789 6.002 4.558
161 2HH2 ARG 42 2HH2 ARG 42 2.736 6.701 6.152
162 H TRP 43 H TRP 43 2.487 1.012 0.771
163 HA TRP 43 HA TRP 43 0.112 0.593 -0.674
164 1HB TRP 43 2HB TRP 43 2.620 1.893 -1.088
165 2HB TRP 43 1HB TRP 43 2.286 0.892 -2.498
166 HD1 TRP 43 HD1 TRP 43 2.045 4.263 -1.945
167 HE1 TRP 43 HE1 TRP 43 -0.027 5.378 -2.964
168 HE3 TRP 43 HE3 TRP 43 -0.889 0.136 -2.531
169 HZ2 TRP 43 HZ2 TRP 43 -2.581 4.621 -3.859
170 HZ3 TRP 43 HZ3 TRP 43 -3.143 0.424 -3.454
171 HH2 TRP 43 HH2 TRP 43 -3.963 2.617 -4.088
172 H GLU 44 H GLU 44 3.114 -1.213 -0.523
173 HA GLU 44 HA GLU 44 2.721 -2.970 -2.657
174 1HB GLU 44 2HB GLU 44 4.800 -2.615 -1.192
175 2HB GLU 44 1HB GLU 44 4.048 -3.725 -0.056
176 1HG GLU 44 2HG GLU 44 5.625 -4.913 -1.413
177 2HG GLU 44 1HG GLU 44 3.991 -5.443 -1.821
178 H HIS 45 H HIS 45 1.468 -2.960 0.617
179 HA HIS 45 HA HIS 45 0.452 -5.656 0.458
180 1HB HIS 45 2HB HIS 45 1.231 -4.414 2.571
181 2HB HIS 45 1HB HIS 45 -0.297 -3.549 2.491
182 HD1 HIS 45 HD1 HIS 45 1.202 -6.364 4.040
183 HD2 HIS 45 HD2 HIS 45 -2.580 -5.575 2.481
184 HE1 HIS 45 HE1 HIS 45 -0.344 -7.994 5.162
185 HE2 HIS 45 HE2 HIS 45 -2.642 -7.299 4.415
186 H ILE 46 H ILE 46 -0.654 -2.389 -0.036
187 HA ILE 46 HA ILE 46 -3.441 -2.931 -0.097
188 HB ILE 46 HB ILE 46 -2.058 -0.688 -1.557
189 1HG1 ILE 46 2HG1 ILE 46 -2.971 -0.740 1.320
190 2HG1 ILE 46 1HG1 ILE 46 -1.289 -0.817 0.800
191 1HG2 ILE 46 3HG2 ILE 46 -4.478 -1.063 -1.979
192 2HG2 ILE 46 2HG2 ILE 46 -4.767 -0.834 -0.247
193 3HG2 ILE 46 1HG2 ILE 46 -4.122 0.493 -1.222
194 1HD1 ILE 46 2HD1 ILE 46 -3.147 1.443 0.144
195 2HD1 ILE 46 1HD1 ILE 46 -2.048 1.424 1.530
196 3HD1 ILE 46 3HD1 ILE 46 -1.407 1.370 -0.111
197 H GLN 47 H GLN 47 -0.889 -3.035 -2.480
198 HA GLN 47 HA GLN 47 -2.654 -3.160 -4.733
199 1HB GLN 47 2HB GLN 47 0.273 -3.837 -4.450
200 2HB GLN 47 1HB GLN 47 -0.596 -3.884 -5.976
201 1HG GLN 47 2HG GLN 47 -0.205 -1.452 -4.254
202 2HG GLN 47 1HG GLN 47 0.707 -1.843 -5.707
203 1HE2 GLN 47 1HE2 GLN 47 -0.887 0.494 -5.136
204 2HE2 GLN 47 2HE2 GLN 47 -2.121 0.566 -6.346
205 H ARG 48 H ARG 48 -0.691 -5.511 -2.954
206 HA ARG 48 HA ARG 48 -1.393 -7.740 -4.474
207 1HB ARG 48 2HB ARG 48 -0.676 -9.075 -2.493
208 2HB ARG 48 1HB ARG 48 0.498 -7.877 -3.025
209 1HG ARG 48 2HG ARG 48 0.604 -7.478 -0.820
210 2HG ARG 48 1HG ARG 48 -0.782 -6.445 -1.179
211 1HD ARG 48 2HD ARG 48 -1.389 -7.730 0.700
212 2HD ARG 48 1HD ARG 48 -2.238 -8.435 -0.676
213 HE ARG 48 HE ARG 48 0.086 -9.582 0.713
214 1HH1 ARG 48 1HH1 ARG 48 -2.493 -9.935 -1.649
215 2HH1 ARG 48 2HH1 ARG 48 -2.262 -11.651 -1.816
216 1HH2 ARG 48 1HH2 ARG 48 0.352 -11.824 0.521
217 2HH2 ARG 48 2HH2 ARG 48 -0.685 -12.729 -0.548
218 H ILE 49 H ILE 49 -3.124 -6.163 -1.849
219 HA ILE 49 HA ILE 49 -5.083 -8.311 -1.770
220 HB ILE 49 HB ILE 49 -4.629 -7.236 0.336
221 1HG1 ILE 49 2HG1 ILE 49 -6.871 -6.696 1.066
222 2HG1 ILE 49 1HG1 ILE 49 -7.362 -6.335 -0.587
223 1HG2 ILE 49 3HG2 ILE 49 -3.900 -5.088 -0.552
224 2HG2 ILE 49 2HG2 ILE 49 -5.584 -4.684 -0.907
225 3HG2 ILE 49 1HG2 ILE 49 -5.066 -4.918 0.763
226 1HD1 ILE 49 3HD1 ILE 49 -6.345 -9.045 0.120
227 2HD1 ILE 49 2HD1 ILE 49 -8.018 -8.595 0.466
228 3HD1 ILE 49 1HD1 ILE 49 -7.412 -8.562 -1.193
229 H TYR 50 H TYR 50 -4.799 -5.054 -3.087
230 HA TYR 50 HA TYR 50 -7.446 -4.681 -3.915
231 1HB TYR 50 2HB TYR 50 -5.250 -3.157 -4.001
232 2HB TYR 50 1HB TYR 50 -5.226 -3.729 -5.663
233 HD1 TYR 50 HD1 TYR 50 -6.062 -2.176 -7.139
234 HD2 TYR 50 HD2 TYR 50 -7.883 -2.542 -3.310
235 HE1 TYR 50 HE1 TYR 50 -7.676 -0.422 -7.744
236 HE2 TYR 50 HE2 TYR 50 -9.510 -0.800 -3.909
237 HH TYR 50 HH TYR 50 -9.714 1.072 -5.456
238 H GLU 51 H GLU 51 -4.736 -6.343 -5.389
239 HA GLU 51 HA GLU 51 -6.093 -7.108 -7.777
240 1HB GLU 51 2HB GLU 51 -3.667 -8.299 -6.431
241 2HB GLU 51 1HB GLU 51 -4.201 -8.663 -8.065
242 1HG GLU 51 2HG GLU 51 -3.861 -6.293 -8.672
243 2HG GLU 51 1HG GLU 51 -3.240 -5.989 -7.049
244 H MET 52 H MET 52 -5.756 -8.512 -4.580
245 HA MET 52 HA MET 52 -6.429 -11.168 -5.142
246 1HB MET 52 2HB MET 52 -6.668 -9.482 -2.678
247 2HB MET 52 1HB MET 52 -7.346 -11.101 -2.700
248 1HG MET 52 2HG MET 52 -4.470 -10.395 -3.210
249 2HG MET 52 1HG MET 52 -5.129 -11.040 -1.706
250 1HE MET 52 1HE MET 52 -6.155 -13.479 -1.474
251 2HE MET 52 3HE MET 52 -7.260 -13.151 -2.808
252 3HE MET 52 2HE MET 52 -6.282 -14.621 -2.809
253 H CYS 53 H CYS 53 -8.573 -8.614 -3.883
254 HA CYS 53 HA CYS 53 -10.822 -10.419 -4.444
255 1HB CYS 53 2HB CYS 53 -10.329 -9.519 -2.079
256 2HB CYS 53 1HB CYS 53 -10.958 -7.987 -2.674
257 HG CYS 53 HG CYS 53 -12.696 -10.029 -1.162
258 H ASP 54 H ASP 54 -9.397 -8.464 -6.259
259 HA ASP 54 HA ASP 54 -9.910 -7.138 -8.021
260 1HB ASP 54 2HB ASP 54 -11.403 -9.020 -8.535
261 2HB ASP 54 1HB ASP 54 -12.682 -8.266 -7.592
262 H ARG 55 H ARG 55 -9.468 -5.396 -6.447
263 HA ARG 55 HA ARG 55 -9.805 -3.252 -5.837
264 1HB ARG 55 2HB ARG 55 -12.052 -3.560 -7.802
265 2HB ARG 55 1HB ARG 55 -11.768 -2.048 -6.948
266 1HG ARG 55 2HG ARG 55 -9.412 -2.125 -7.829
267 2HG ARG 55 1HG ARG 55 -9.941 -3.454 -8.867
268 1HD ARG 55 2HD ARG 55 -11.511 -2.076 -9.980
269 2HD ARG 55 1HD ARG 55 -11.328 -0.792 -8.785
270 HE ARG 55 HE ARG 55 -8.847 -0.957 -9.779
271 1HH1 ARG 55 1HH1 ARG 55 -11.950 -0.849 -11.407
272 2HH1 ARG 55 2HH1 ARG 55 -11.329 0.025 -12.779
273 1HH2 ARG 55 1HH2 ARG 55 -8.043 0.190 -11.561
274 2HH2 ARG 55 2HH2 ARG 55 -9.110 0.622 -12.863
275 H ASN 56 H ASN 56 -11.260 -5.524 -4.391
276 HA ASN 56 HA ASN 56 -13.507 -4.217 -3.183
277 1HB ASN 56 2HB ASN 56 -13.326 -6.684 -3.282
278 2HB ASN 56 1HB ASN 56 -11.928 -6.617 -2.216
279 1HD2 ASN 56 1HD2 ASN 56 -14.626 -7.868 -1.968
280 2HD2 ASN 56 2HD2 ASN 56 -15.243 -7.287 -0.457
281 H VAL 57 H VAL 57 -12.944 -2.296 -2.340
282 HA VAL 57 HA VAL 57 -10.558 -1.676 -1.001
283 HB VAL 57 HB VAL 57 -13.239 -0.307 -0.719
284 1HG1 VAL 57 1HG1 VAL 57 -10.442 0.717 -0.248
285 2HG1 VAL 57 3HG1 VAL 57 -11.913 1.686 -0.183
286 3HG1 VAL 57 2HG1 VAL 57 -11.657 0.393 0.987
287 1HG2 VAL 57 2HG2 VAL 57 -12.587 -0.511 -3.063
288 2HG2 VAL 57 1HG2 VAL 57 -12.484 1.164 -2.522
289 3HG2 VAL 57 3HG2 VAL 57 -11.017 0.203 -2.695
290 H SER 58 H SER 58 -13.629 -2.917 0.140
291 HA SER 58 HA SER 58 -13.372 -2.408 2.876
292 1HB SER 58 2HB SER 58 -14.717 -4.796 1.589
293 2HB SER 58 1HB SER 58 -15.068 -4.115 3.179
294 HG SER 58 HG SER 58 -15.573 -3.008 0.621
295 H GLU 59 H GLU 59 -12.507 -5.354 1.043
296 HA GLU 59 HA GLU 59 -11.315 -6.659 3.264
297 1HB GLU 59 2HB GLU 59 -12.051 -7.848 1.192
298 2HB GLU 59 1HB GLU 59 -10.727 -7.089 0.321
299 1HG GLU 59 2HG GLU 59 -9.969 -9.246 0.826
300 2HG GLU 59 1HG GLU 59 -9.168 -8.206 2.004
301 H THR 60 H THR 60 -10.111 -4.542 0.747
302 HA THR 60 HA THR 60 -7.382 -4.897 1.149
303 HB THR 60 HB THR 60 -8.734 -2.316 0.333
304 HG1 THR 60 HG1 THR 60 -9.399 -4.023 -1.024
305 1HG2 THR 60 3HG2 THR 60 -6.341 -2.105 0.868
306 2HG2 THR 60 2HG2 THR 60 -5.983 -3.421 -0.253
307 3HG2 THR 60 1HG2 THR 60 -6.641 -1.900 -0.860
308 H ALA 61 H ALA 61 -9.469 -2.330 2.510
309 HA ALA 61 HA ALA 61 -7.589 -1.154 4.233
310 1HB ALA 61 1HB ALA 61 -10.572 -1.484 4.627
311 2HB ALA 61 3HB ALA 61 -9.534 -0.331 5.473
312 3HB ALA 61 2HB ALA 61 -9.778 -0.185 3.732
313 H ARG 62 H ARG 62 -9.739 -3.945 4.754
314 HA ARG 62 HA ARG 62 -9.166 -4.199 7.525
315 1HB ARG 62 2HB ARG 62 -11.179 -5.179 6.778
316 2HB ARG 62 1HB ARG 62 -10.378 -6.032 5.469
317 1HG ARG 62 2HG ARG 62 -9.587 -6.724 8.246
318 2HG ARG 62 1HG ARG 62 -11.171 -7.255 7.677
319 1HD ARG 62 2HD ARG 62 -10.165 -8.399 5.806
320 2HD ARG 62 1HD ARG 62 -8.576 -7.772 6.236
321 HE ARG 62 HE ARG 62 -8.907 -9.122 8.363
322 1HH1 ARG 62 1HH1 ARG 62 -10.355 -9.992 5.299
323 2HH1 ARG 62 2HH1 ARG 62 -10.329 -11.700 5.633
324 1HH2 ARG 62 1HH2 ARG 62 -8.816 -11.349 8.791
325 2HH2 ARG 62 2HH2 ARG 62 -9.414 -12.482 7.611
326 H ARG 63 H ARG 63 -7.890 -5.732 4.624
327 HA ARG 63 HA ARG 63 -6.124 -7.488 6.046
328 1HB ARG 63 2HB ARG 63 -7.182 -7.871 3.778
329 2HB ARG 63 1HB ARG 63 -6.057 -6.691 3.133
330 1HG ARG 63 2HG ARG 63 -4.246 -8.099 3.366
331 2HG ARG 63 1HG ARG 63 -5.039 -9.082 4.604
332 1HD ARG 63 2HD ARG 63 -6.388 -10.175 3.049
333 2HD ARG 63 1HD ARG 63 -6.160 -8.919 1.840
334 HE ARG 63 HE ARG 63 -3.747 -9.817 1.844
335 1HH1 ARG 63 1HH1 ARG 63 -6.640 -11.742 2.296
336 2HH1 ARG 63 2HH1 ARG 63 -5.952 -13.172 1.581
337 1HH2 ARG 63 1HH2 ARG 63 -2.831 -11.712 0.926
338 2HH2 ARG 63 2HH2 ARG 63 -3.789 -13.159 0.804
339 H LEU 64 H LEU 64 -6.041 -4.262 4.911
340 HA LEU 64 HA LEU 64 -3.168 -3.944 5.113
341 1HB LEU 64 2HB LEU 64 -5.476 -2.314 4.280
342 2HB LEU 64 1HB LEU 64 -4.205 -1.418 5.084
343 HG LEU 64 HG LEU 64 -3.997 -1.371 2.631
344 1HD1 LEU 64 2HD1 LEU 64 -1.802 -2.878 4.069
345 2HD1 LEU 64 1HD1 LEU 64 -1.623 -1.998 2.552
346 3HD1 LEU 64 3HD1 LEU 64 -2.014 -1.127 4.034
347 1HD2 LEU 64 1HD2 LEU 64 -3.788 -4.346 3.008
348 2HD2 LEU 64 3HD2 LEU 64 -4.869 -3.442 1.945
349 3HD2 LEU 64 2HD2 LEU 64 -3.143 -3.525 1.588
350 H ASN 65 H ASN 65 -5.775 -4.041 7.203
351 HA ASN 65 HA ASN 65 -6.021 -3.724 9.428
352 1HB ASN 65 2HB ASN 65 -3.084 -2.984 9.380
353 2HB ASN 65 1HB ASN 65 -4.040 -3.217 10.838
354 1HD2 ASN 65 1HD2 ASN 65 -5.535 -5.461 9.712
355 2HD2 ASN 65 2HD2 ASN 65 -4.443 -6.799 9.703
356 H MET 66 H MET 66 -6.522 -1.694 7.455
357 HA MET 66 HA MET 66 -6.390 0.632 9.234
358 1HB MET 66 2HB MET 66 -6.388 2.031 7.090
359 2HB MET 66 1HB MET 66 -4.883 1.324 7.634
360 1HG MET 66 2HG MET 66 -5.868 -0.534 5.875
361 2HG MET 66 1HG MET 66 -6.341 1.021 5.168
362 1HE MET 66 2HE MET 66 -4.913 2.812 4.402
363 2HE MET 66 1HE MET 66 -3.316 2.476 3.721
364 3HE MET 66 3HE MET 66 -4.718 1.579 3.149
365 H HIS 67 H HIS 67 -7.904 2.335 8.577
366 HA HIS 67 HA HIS 67 -10.554 1.216 8.656
367 1HB HIS 67 2HB HIS 67 -9.492 3.181 9.988
368 2HB HIS 67 1HB HIS 67 -9.823 4.135 8.551
369 HD1 HIS 67 HD1 HIS 67 -11.863 5.458 8.838
370 HD2 HIS 67 HD2 HIS 67 -12.128 1.805 10.801
371 HE1 HIS 67 HE1 HIS 67 -14.127 5.438 9.924
372 HE2 HIS 67 HE2 HIS 67 -14.138 3.348 11.325
373 H ARG 68 H ARG 68 -12.301 2.089 7.235
374 HA ARG 68 HA ARG 68 -11.860 1.652 4.547
375 1HB ARG 68 2HB ARG 68 -14.087 1.693 5.599
376 2HB ARG 68 1HB ARG 68 -13.976 3.440 5.755
377 1HG ARG 68 2HG ARG 68 -15.337 2.984 3.869
378 2HG ARG 68 1HG ARG 68 -13.786 3.564 3.262
379 1HD ARG 68 2HD ARG 68 -14.568 1.652 1.970
380 2HD ARG 68 1HD ARG 68 -13.087 1.258 2.844
381 HE ARG 68 HE ARG 68 -14.357 -0.064 4.355
382 1HH1 ARG 68 1HH1 ARG 68 -16.163 1.126 1.599
383 2HH1 ARG 68 2HH1 ARG 68 -17.513 0.058 1.861
384 1HH2 ARG 68 1HH2 ARG 68 -16.121 -1.474 4.689
385 2HH2 ARG 68 2HH2 ARG 68 -17.469 -1.447 3.600
386 H ARG 69 H ARG 69 -12.108 4.811 6.162
387 HA ARG 69 HA ARG 69 -11.771 6.338 3.822
388 1HB ARG 69 2HB ARG 69 -11.194 7.128 6.680
389 2HB ARG 69 1HB ARG 69 -11.389 8.234 5.325
390 1HG ARG 69 2HG ARG 69 -13.501 6.401 6.448
391 2HG ARG 69 1HG ARG 69 -13.415 8.153 6.644
392 1HD ARG 69 2HD ARG 69 -13.869 8.536 4.368
393 2HD ARG 69 1HD ARG 69 -13.535 6.860 3.934
394 HE ARG 69 HE ARG 69 -15.702 6.989 5.757
395 1HH1 ARG 69 1HH1 ARG 69 -14.907 7.726 2.416
396 2HH1 ARG 69 2HH1 ARG 69 -16.515 7.388 1.832
397 1HH2 ARG 69 1HH2 ARG 69 -17.799 6.540 4.989
398 2HH2 ARG 69 2HH2 ARG 69 -18.149 6.692 3.295
399 H THR 70 H THR 70 -9.502 4.878 6.020
400 HA THR 70 HA THR 70 -7.171 6.227 5.231
401 HB THR 70 HB THR 70 -7.234 3.325 5.993
402 HG1 THR 70 HG1 THR 70 -7.105 4.308 8.217
403 1HG2 THR 70 1HG2 THR 70 -5.068 4.349 5.379
404 2HG2 THR 70 3HG2 THR 70 -5.310 5.571 6.629
405 3HG2 THR 70 2HG2 THR 70 -5.121 3.875 7.079
406 H LEU 71 H LEU 71 -8.401 3.068 4.142
407 HA LEU 71 HA LEU 71 -6.522 2.641 2.119
408 1HB LEU 71 2HB LEU 71 -8.547 1.203 3.159
409 2HB LEU 71 1HB LEU 71 -9.317 1.722 1.674
410 HG LEU 71 HG LEU 71 -8.338 -0.492 1.425
411 1HD1 LEU 71 3HD1 LEU 71 -6.866 1.621 -0.127
412 2HD1 LEU 71 2HD1 LEU 71 -6.950 -0.087 -0.555
413 3HD1 LEU 71 1HD1 LEU 71 -8.416 0.893 -0.545
414 1HD2 LEU 71 3HD2 LEU 71 -6.524 -0.102 3.123
415 2HD2 LEU 71 2HD2 LEU 71 -6.022 -0.948 1.658
416 3HD2 LEU 71 1HD2 LEU 71 -5.643 0.763 1.865
417 H GLN 72 H GLN 72 -9.728 4.180 1.948
418 HA GLN 72 HA GLN 72 -9.783 4.750 -0.787
419 1HB GLN 72 2HB GLN 72 -11.722 5.020 0.706
420 2HB GLN 72 1HB GLN 72 -10.932 6.390 1.475
421 1HG GLN 72 2HG GLN 72 -12.501 7.284 -0.038
422 2HG GLN 72 1HG GLN 72 -10.916 7.512 -0.775
423 1HE2 GLN 72 1HE2 GLN 72 -13.460 7.499 -2.083
424 2HE2 GLN 72 2HE2 GLN 72 -13.449 6.190 -3.215
425 H ARG 73 H ARG 73 -8.438 6.696 1.875
426 HA ARG 73 HA ARG 73 -7.787 8.868 0.166
427 1HB ARG 73 2HB ARG 73 -6.928 8.177 2.956
428 2HB ARG 73 1HB ARG 73 -6.349 9.611 2.113
429 1HG ARG 73 2HG ARG 73 -8.715 10.286 1.777
430 2HG ARG 73 1HG ARG 73 -9.193 8.930 2.800
431 1HD ARG 73 2HD ARG 73 -7.404 11.211 3.598
432 2HD ARG 73 1HD ARG 73 -9.090 11.009 4.067
433 HE ARG 73 HE ARG 73 -7.056 9.022 4.821
434 1HH1 ARG 73 1HH1 ARG 73 -9.575 11.295 5.672
435 2HH1 ARG 73 2HH1 ARG 73 -9.613 10.817 7.351
436 1HH2 ARG 73 1HH2 ARG 73 -7.097 8.388 7.034
437 2HH2 ARG 73 2HH2 ARG 73 -8.224 9.149 8.113
438 H ILE 74 H ILE 74 -6.034 5.987 1.145
439 HA ILE 74 HA ILE 74 -3.551 6.874 0.057
440 HB ILE 74 HB ILE 74 -4.587 4.206 0.921
441 1HG1 ILE 74 2HG1 ILE 74 -2.233 4.355 2.084
442 2HG1 ILE 74 1HG1 ILE 74 -2.375 6.068 1.710
443 1HG2 ILE 74 3HG2 ILE 74 -3.439 3.813 -1.223
444 2HG2 ILE 74 2HG2 ILE 74 -1.981 4.558 -0.557
445 3HG2 ILE 74 1HG2 ILE 74 -2.621 3.071 0.149
446 1HD1 ILE 74 1HD1 ILE 74 -4.480 6.139 2.977
447 2HD1 ILE 74 3HD1 ILE 74 -4.266 4.432 3.391
448 3HD1 ILE 74 2HD1 ILE 74 -3.102 5.637 3.958
449 H LEU 75 H LEU 75 -6.226 4.883 -1.213
450 HA LEU 75 HA LEU 75 -5.180 4.448 -3.797
451 1HB LEU 75 2HB LEU 75 -8.081 4.894 -3.047
452 2HB LEU 75 1HB LEU 75 -7.502 4.141 -4.517
453 HG LEU 75 HG LEU 75 -7.163 3.003 -1.743
454 1HD1 LEU 75 3HD1 LEU 75 -9.498 3.030 -2.450
455 2HD1 LEU 75 2HD1 LEU 75 -9.056 2.230 -3.958
456 3HD1 LEU 75 1HD1 LEU 75 -8.858 1.386 -2.420
457 1HD2 LEU 75 2HD2 LEU 75 -6.513 1.915 -4.477
458 2HD2 LEU 75 1HD2 LEU 75 -5.392 2.250 -3.159
459 3HD2 LEU 75 3HD2 LEU 75 -6.561 0.941 -3.006
460 H ALA 76 H ALA 76 -7.155 7.031 -2.432
461 HA ALA 76 HA ALA 76 -7.460 8.469 -4.882
462 1HB ALA 76 1HB ALA 76 -8.745 9.988 -3.616
463 2HB ALA 76 3HB ALA 76 -9.044 8.401 -2.887
464 3HB ALA 76 2HB ALA 76 -7.936 9.540 -2.114
465 H LYS 77 H LYS 77 -4.951 8.232 -2.653
466 HA LYS 77 HA LYS 77 -3.905 10.867 -2.741
467 1HB LYS 77 2HB LYS 77 -3.331 9.223 -0.998
468 2HB LYS 77 1HB LYS 77 -2.533 8.220 -2.195
469 1HG LYS 77 2HG LYS 77 -1.589 11.017 -1.812
470 2HG LYS 77 1HG LYS 77 -1.172 9.795 -0.608
471 1HD LYS 77 2HD LYS 77 -0.262 8.387 -2.443
472 2HD LYS 77 1HD LYS 77 -0.567 9.720 -3.561
473 1HE LYS 77 2HE LYS 77 0.899 11.151 -2.154
474 2HE LYS 77 1HE LYS 77 1.283 9.730 -1.181
475 1HZ LYS 77 3HZ LYS 77 2.107 8.664 -3.230
476 2HZ LYS 77 2HZ LYS 77 1.856 10.123 -4.068
477 3HZ LYS 77 1HZ LYS 77 2.992 10.049 -2.802
478 H ARG 78 H ARG 78 -4.041 8.348 -4.995
479 HA ARG 78 HA ARG 78 -1.586 8.874 -6.389
480 1HB ARG 78 2HB ARG 78 -3.999 7.241 -7.159
481 2HB ARG 78 1HB ARG 78 -2.463 7.254 -8.021
482 1HG ARG 78 2HG ARG 78 -1.351 6.448 -5.973
483 2HG ARG 78 1HG ARG 78 -2.932 6.338 -5.195
484 1HD ARG 78 2HD ARG 78 -2.110 4.901 -7.700
485 2HD ARG 78 1HD ARG 78 -2.173 4.184 -6.091
486 HE ARG 78 HE ARG 78 -4.685 5.283 -6.646
487 1HH1 ARG 78 1HH1 ARG 78 -2.615 2.677 -7.752
488 2HH1 ARG 78 2HH1 ARG 78 -3.935 1.697 -8.321
489 1HH2 ARG 78 1HH2 ARG 78 -6.437 3.990 -7.387
490 2HH2 ARG 78 2HH2 ARG 78 -6.103 2.451 -8.124
491 H SER 79 H SER 79 -3.142 11.216 -6.135
492 HA SER 79 HA SER 79 -3.275 11.941 -8.924
493 1HB SER 79 2HB SER 79 -5.619 12.430 -7.088
494 2HB SER 79 1HB SER 79 -5.457 13.071 -8.722
495 HG SER 79 HG SER 79 -5.040 10.446 -8.815
496 HA PRO 80 HA PRO 80 -2.928 15.923 -6.238
497 1HB PRO 80 2HB PRO 80 -2.828 15.047 -3.455
498 2HB PRO 80 1HB PRO 80 -3.891 16.234 -4.212
499 1HG PRO 80 2HG PRO 80 -4.780 13.833 -3.327
500 2HG PRO 80 1HG PRO 80 -5.500 14.673 -4.711
501 1HD PRO 80 2HD PRO 80 -3.553 12.399 -4.682
502 2HD PRO 80 1HD PRO 80 -4.964 12.654 -5.730
503 H ARG 81 H ARG 81 -1.320 12.962 -5.426
504 HA ARG 81 HA ARG 81 1.226 14.372 -5.388
505 1HB ARG 81 2HB ARG 81 0.394 14.178 -3.002
506 2HB ARG 81 1HB ARG 81 0.546 12.434 -3.177
507 1HG ARG 81 2HG ARG 81 2.488 13.294 -2.060
508 2HG ARG 81 1HG ARG 81 2.946 12.723 -3.667
509 1HD ARG 81 2HD ARG 81 2.972 14.975 -4.514
510 2HD ARG 81 1HD ARG 81 2.349 15.598 -2.987
511 HE ARG 81 HE ARG 81 4.868 14.166 -2.827
512 1HH1 ARG 81 1HH1 ARG 81 3.250 17.259 -3.098
513 2HH1 ARG 81 2HH1 ARG 81 4.633 18.175 -2.572
514 1HH2 ARG 81 1HH2 ARG 81 6.668 15.335 -2.135
515 2HH2 ARG 81 2HH2 ARG 81 6.595 17.069 -1.997
No H/Q in entry = 515