NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5244 |
1guw   |
cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 8 H1 HIS 8 -24.551 -13.149 14.474
2 H2 HIS 8 H2 HIS 8 -23.949 -13.895 13.081
3 H3 HIS 8 H3 HIS 8 -24.435 -12.275 13.031
4 HA HIS 8 HA HIS 8 -26.224 -13.276 12.072
5 1HB HIS 8 1HB HIS 8 -27.105 -15.470 12.885
6 2HB HIS 8 2HB HIS 8 -25.454 -15.543 12.284
7 HD1 HIS 8 HD1 HIS 8 -25.977 -17.842 13.900
8 HD2 HIS 8 HD2 HIS 8 -25.014 -14.233 15.721
9 HE1 HIS 8 HE1 HIS 8 -25.151 -18.446 16.196
10 HE2 HIS 8 HE2 HIS 8 -24.476 -16.257 17.239
11 H MET 9 H MET 9 -28.330 -12.771 12.499
12 HA MET 9 HA MET 9 -30.088 -11.817 13.575
13 1HB MET 9 1HB MET 9 -29.011 -13.385 15.923
14 2HB MET 9 2HB MET 9 -30.596 -12.628 15.857
15 1HG MET 9 1HG MET 9 -29.617 -14.832 14.057
16 2HG MET 9 2HG MET 9 -30.725 -15.015 15.415
17 1HE MET 9 1HE MET 9 -31.343 -16.296 13.096
18 2HE MET 9 2HE MET 9 -33.016 -16.036 13.591
19 3HE MET 9 3HE MET 9 -32.506 -15.620 11.954
20 H VAL 10 H VAL 10 -28.099 -10.074 13.263
21 HA VAL 10 HA VAL 10 -28.313 -8.429 15.665
22 HB VAL 10 HB VAL 10 -25.910 -7.809 15.548
23 1HG1 VAL 10 1HG1 VAL 10 -26.761 -9.497 17.149
24 2HG1 VAL 10 2HG1 VAL 10 -26.340 -10.761 15.992
25 3HG1 VAL 10 3HG1 VAL 10 -25.076 -9.754 16.700
26 1HG2 VAL 10 1HG2 VAL 10 -25.746 -8.690 13.125
27 2HG2 VAL 10 2HG2 VAL 10 -24.364 -8.902 14.199
28 3HG2 VAL 10 3HG2 VAL 10 -25.449 -10.255 13.881
29 H GLU 11 H GLU 11 -26.224 -6.614 14.483
30 HA GLU 11 HA GLU 11 -27.968 -4.947 13.017
31 1HB GLU 11 1HB GLU 11 -24.958 -4.841 13.274
32 2HB GLU 11 2HB GLU 11 -25.966 -3.546 12.640
33 1HG GLU 11 1HG GLU 11 -27.091 -3.374 14.810
34 2HG GLU 11 2HG GLU 11 -26.052 -4.651 15.440
35 H GLU 12 H GLU 12 -28.322 -4.705 10.887
36 HA GLU 12 HA GLU 12 -27.526 -6.732 9.082
37 1HB GLU 12 1HB GLU 12 -28.733 -4.019 8.508
38 2HB GLU 12 2HB GLU 12 -28.629 -5.349 7.364
39 1HG GLU 12 1HG GLU 12 -30.154 -5.420 9.958
40 2HG GLU 12 2HG GLU 12 -30.858 -5.106 8.373
41 H VAL 13 H VAL 13 -25.801 -6.904 7.791
42 HA VAL 13 HA VAL 13 -23.667 -5.024 7.992
43 HB VAL 13 HB VAL 13 -23.210 -7.403 7.724
44 1HG1 VAL 13 1HG1 VAL 13 -24.964 -7.089 5.402
45 2HG1 VAL 13 2HG1 VAL 13 -23.504 -8.026 5.084
46 3HG1 VAL 13 3HG1 VAL 13 -24.603 -8.520 6.371
47 1HG2 VAL 13 1HG2 VAL 13 -21.909 -5.329 6.458
48 2HG2 VAL 13 2HG2 VAL 13 -21.274 -6.955 6.707
49 3HG2 VAL 13 3HG2 VAL 13 -22.072 -6.543 5.189
50 H LEU 14 H LEU 14 -23.089 -3.401 6.684
51 HA LEU 14 HA LEU 14 -23.670 -3.188 3.946
52 1HB LEU 14 1HB LEU 14 -25.943 -2.738 5.308
53 2HB LEU 14 2HB LEU 14 -25.263 -1.124 5.368
54 HG LEU 14 HG LEU 14 -25.858 -2.690 2.853
55 1HD1 LEU 14 1HD1 LEU 14 -27.495 -1.047 4.533
56 2HD1 LEU 14 2HD1 LEU 14 -27.299 -0.290 2.951
57 3HD1 LEU 14 3HD1 LEU 14 -27.925 -1.933 3.070
58 1HD2 LEU 14 1HD2 LEU 14 -23.902 -1.136 2.704
59 2HD2 LEU 14 2HD2 LEU 14 -25.237 -0.746 1.621
60 3HD2 LEU 14 3HD2 LEU 14 -25.000 0.186 3.099
61 H GLU 15 H GLU 15 -21.399 -2.886 5.391
62 HA GLU 15 HA GLU 15 -20.408 -0.401 4.543
63 1HB GLU 15 1HB GLU 15 -19.951 0.661 6.719
64 2HB GLU 15 2HB GLU 15 -21.674 0.529 6.401
65 1HG GLU 15 1HG GLU 15 -21.801 -1.417 7.867
66 2HG GLU 15 2HG GLU 15 -20.070 -1.296 8.179
67 H GLU 16 H GLU 16 -18.206 -0.384 4.540
68 HA GLU 16 HA GLU 16 -16.068 -1.127 4.733
69 1HB GLU 16 1HB GLU 16 -17.083 -2.544 7.204
70 2HB GLU 16 2HB GLU 16 -15.392 -2.319 6.776
71 1HG GLU 16 1HG GLU 16 -15.663 0.098 6.957
72 2HG GLU 16 2HG GLU 16 -17.362 -0.120 7.371
73 H GLU 17 H GLU 17 -14.945 -2.702 3.741
74 HA GLU 17 HA GLU 17 -15.576 -5.462 3.866
75 1HB GLU 17 1HB GLU 17 -17.459 -4.637 2.428
76 2HB GLU 17 2HB GLU 17 -16.267 -4.112 1.247
77 1HG GLU 17 1HG GLU 17 -17.169 -6.210 0.551
78 2HG GLU 17 2HG GLU 17 -15.497 -6.455 1.050
79 H GLU 18 H GLU 18 -13.280 -3.971 4.250
80 HA GLU 18 HA GLU 18 -11.595 -3.937 1.964
81 1HB GLU 18 1HB GLU 18 -10.962 -3.834 4.889
82 2HB GLU 18 2HB GLU 18 -9.765 -3.622 3.629
83 1HG GLU 18 1HG GLU 18 -10.436 -1.477 4.465
84 2HG GLU 18 2HG GLU 18 -11.018 -1.665 2.811
85 H GLU 19 H GLU 19 -10.042 -5.368 1.285
86 HA GLU 19 HA GLU 19 -9.875 -7.934 2.705
87 1HB GLU 19 1HB GLU 19 -10.203 -7.557 -0.273
88 2HB GLU 19 2HB GLU 19 -9.834 -9.091 0.505
89 1HG GLU 19 1HG GLU 19 -11.955 -8.974 1.722
90 2HG GLU 19 2HG GLU 19 -12.324 -7.448 0.917
91 H GLU 20 H GLU 20 -7.907 -8.945 2.680
92 HA GLU 20 HA GLU 20 -5.625 -7.295 2.303
93 1HB GLU 20 1HB GLU 20 -5.821 -10.251 2.891
94 2HB GLU 20 2HB GLU 20 -4.349 -9.298 2.991
95 1HG GLU 20 1HG GLU 20 -5.334 -7.943 4.756
96 2HG GLU 20 2HG GLU 20 -6.828 -8.871 4.644
97 H TYR 21 H TYR 21 -6.140 -6.919 -0.085
98 HA TYR 21 HA TYR 21 -5.733 -8.944 -1.996
99 1HB TYR 21 1HB TYR 21 -5.518 -5.945 -2.105
100 2HB TYR 21 2HB TYR 21 -5.078 -6.928 -3.495
101 HD1 TYR 21 HD1 TYR 21 -7.906 -6.984 -1.035
102 HD2 TYR 21 HD2 TYR 21 -6.705 -6.901 -5.115
103 HE1 TYR 21 HE1 TYR 21 -10.264 -7.061 -1.727
104 HE2 TYR 21 HE2 TYR 21 -9.059 -6.977 -5.817
105 HH TYR 21 HH TYR 21 -11.230 -6.601 -5.036
106 H VAL 22 H VAL 22 -3.942 -9.724 -2.998
107 HA VAL 22 HA VAL 22 -1.504 -9.769 -1.670
108 HB VAL 22 HB VAL 22 -1.934 -10.248 -4.621
109 1HG1 VAL 22 1HG1 VAL 22 0.438 -10.022 -3.695
110 2HG1 VAL 22 2HG1 VAL 22 0.122 -11.544 -2.860
111 3HG1 VAL 22 3HG1 VAL 22 0.060 -11.473 -4.621
112 1HG2 VAL 22 1HG2 VAL 22 -3.475 -11.521 -3.117
113 2HG2 VAL 22 2HG2 VAL 22 -2.407 -12.528 -4.095
114 3HG2 VAL 22 3HG2 VAL 22 -2.053 -12.265 -2.387
115 H VAL 23 H VAL 23 0.297 -8.547 -1.699
116 HA VAL 23 HA VAL 23 0.342 -6.232 -3.528
117 HB VAL 23 HB VAL 23 1.522 -6.406 -0.751
118 1HG1 VAL 23 1HG1 VAL 23 2.518 -4.882 -2.664
119 2HG1 VAL 23 2HG1 VAL 23 1.162 -3.846 -2.221
120 3HG1 VAL 23 3HG1 VAL 23 2.360 -4.296 -1.008
121 1HG2 VAL 23 1HG2 VAL 23 -1.117 -6.134 -1.368
122 2HG2 VAL 23 2HG2 VAL 23 -0.354 -5.524 0.099
123 3HG2 VAL 23 3HG2 VAL 23 -0.593 -4.452 -1.282
124 H GLU 24 H GLU 24 2.072 -5.981 -4.799
125 HA GLU 24 HA GLU 24 4.095 -8.016 -4.848
126 1HB GLU 24 1HB GLU 24 3.131 -6.925 -6.890
127 2HB GLU 24 2HB GLU 24 3.991 -5.457 -6.444
128 1HG GLU 24 1HG GLU 24 5.308 -6.550 -8.066
129 2HG GLU 24 2HG GLU 24 6.104 -6.793 -6.511
130 H LYS 25 H LYS 25 4.166 -4.483 -4.386
131 HA LYS 25 HA LYS 25 5.963 -4.468 -2.253
132 1HB LYS 25 1HB LYS 25 7.566 -5.377 -3.907
133 2HB LYS 25 2HB LYS 25 7.293 -3.964 -4.919
134 1HG LYS 25 1HG LYS 25 8.168 -2.537 -3.106
135 2HG LYS 25 2HG LYS 25 8.514 -3.989 -2.165
136 1HD LYS 25 1HD LYS 25 10.532 -3.249 -3.263
137 2HD LYS 25 2HD LYS 25 9.999 -4.768 -3.985
138 1HE LYS 25 1HE LYS 25 10.728 -3.181 -5.692
139 2HE LYS 25 2HE LYS 25 9.011 -3.549 -5.850
140 1HZ LYS 25 1HZ LYS 25 8.953 -1.400 -4.256
141 2HZ LYS 25 2HZ LYS 25 10.314 -1.048 -5.198
142 3HZ LYS 25 3HZ LYS 25 8.821 -1.329 -5.941
143 H VAL 26 H VAL 26 6.224 -2.381 -1.445
144 HA VAL 26 HA VAL 26 4.487 -0.397 -2.479
145 HB VAL 26 HB VAL 26 5.127 0.987 -0.701
146 1HG1 VAL 26 1HG1 VAL 26 4.724 -1.761 -0.202
147 2HG1 VAL 26 2HG1 VAL 26 5.892 -1.168 0.978
148 3HG1 VAL 26 3HG1 VAL 26 4.319 -0.386 0.825
149 1HG2 VAL 26 1HG2 VAL 26 7.720 -0.510 -0.593
150 2HG2 VAL 26 2HG2 VAL 26 7.464 1.163 -1.093
151 3HG2 VAL 26 3HG2 VAL 26 7.199 0.692 0.586
152 H LEU 27 H LEU 27 4.826 1.163 -3.953
153 HA LEU 27 HA LEU 27 7.296 1.148 -5.394
154 1HB LEU 27 1HB LEU 27 4.825 2.835 -5.721
155 2HB LEU 27 2HB LEU 27 6.208 2.907 -6.793
156 HG LEU 27 HG LEU 27 5.830 0.468 -7.296
157 1HD1 LEU 27 1HD1 LEU 27 3.607 0.950 -5.416
158 2HD1 LEU 27 2HD1 LEU 27 3.240 -0.011 -6.849
159 3HD1 LEU 27 3HD1 LEU 27 4.520 -0.523 -5.748
160 1HD2 LEU 27 1HD2 LEU 27 4.701 2.727 -8.383
161 2HD2 LEU 27 2HD2 LEU 27 4.710 1.119 -9.107
162 3HD2 LEU 27 3HD2 LEU 27 3.321 1.652 -8.158
163 H ASP 28 H ASP 28 5.641 3.482 -3.284
164 HA ASP 28 HA ASP 28 8.209 4.731 -2.755
165 1HB ASP 28 1HB ASP 28 5.947 6.274 -4.032
166 2HB ASP 28 2HB ASP 28 7.367 7.017 -3.305
167 H ARG 29 H ARG 29 6.767 7.191 -1.835
168 HA ARG 29 HA ARG 29 4.956 6.459 0.237
169 1HB ARG 29 1HB ARG 29 6.910 5.554 1.314
170 2HB ARG 29 2HB ARG 29 7.840 7.003 0.961
171 1HG ARG 29 1HG ARG 29 6.244 8.266 2.428
172 2HG ARG 29 2HG ARG 29 5.564 6.708 2.903
173 1HD ARG 29 1HD ARG 29 7.219 7.470 4.523
174 2HD ARG 29 2HD ARG 29 7.753 5.994 3.718
175 HE ARG 29 HE ARG 29 9.582 7.156 3.040
176 1HH1 ARG 29 1HH1 ARG 29 6.977 9.436 3.477
177 2HH1 ARG 29 2HH1 ARG 29 7.940 10.810 3.050
178 1HH2 ARG 29 1HH2 ARG 29 10.851 8.964 2.482
179 2HH2 ARG 29 2HH2 ARG 29 10.137 10.542 2.483
180 H ARG 30 H ARG 30 3.802 8.237 0.789
181 HA ARG 30 HA ARG 30 5.025 10.852 0.786
182 1HB ARG 30 1HB ARG 30 3.583 11.867 -0.855
183 2HB ARG 30 2HB ARG 30 4.442 10.526 -1.597
184 1HG ARG 30 1HG ARG 30 2.441 9.127 -1.357
185 2HG ARG 30 2HG ARG 30 1.582 10.498 -0.645
186 1HD ARG 30 1HD ARG 30 1.945 11.773 -2.713
187 2HD ARG 30 2HD ARG 30 2.757 10.380 -3.422
188 HE ARG 30 HE ARG 30 0.250 9.529 -2.593
189 1HH1 ARG 30 1HH1 ARG 30 1.588 11.795 -4.879
190 2HH1 ARG 30 2HH1 ARG 30 0.266 11.651 -5.989
191 1HH2 ARG 30 1HH2 ARG 30 -1.491 9.333 -4.050
192 2HH2 ARG 30 2HH2 ARG 30 -1.482 10.250 -5.520
193 H VAL 31 H VAL 31 4.045 12.233 2.153
194 HA VAL 31 HA VAL 31 1.572 11.294 3.435
195 HB VAL 31 HB VAL 31 3.801 13.029 4.495
196 1HG1 VAL 31 1HG1 VAL 31 1.051 12.564 5.639
197 2HG1 VAL 31 2HG1 VAL 31 2.417 13.142 6.594
198 3HG1 VAL 31 3HG1 VAL 31 1.810 14.108 5.248
199 1HG2 VAL 31 1HG2 VAL 31 3.760 10.420 4.521
200 2HG2 VAL 31 2HG2 VAL 31 4.243 11.307 5.966
201 3HG2 VAL 31 3HG2 VAL 31 2.612 10.646 5.841
202 H VAL 32 H VAL 32 -0.154 12.653 3.713
203 HA VAL 32 HA VAL 32 -0.014 15.401 2.801
204 HB VAL 32 HB VAL 32 -0.448 14.326 0.696
205 1HG1 VAL 32 1HG1 VAL 32 -2.265 12.652 2.316
206 2HG1 VAL 32 2HG1 VAL 32 -2.792 13.033 0.677
207 3HG1 VAL 32 3HG1 VAL 32 -1.246 12.224 0.940
208 1HG2 VAL 32 1HG2 VAL 32 -1.841 16.362 1.510
209 2HG2 VAL 32 2HG2 VAL 32 -2.307 15.532 0.027
210 3HG2 VAL 32 3HG2 VAL 32 -3.181 15.216 1.525
211 H LYS 33 H LYS 33 -1.396 16.662 3.885
212 HA LYS 33 HA LYS 33 -3.103 17.347 5.233
213 1HB LYS 33 1HB LYS 33 -4.173 14.522 5.182
214 2HB LYS 33 2HB LYS 33 -5.038 15.979 5.647
215 1HG LYS 33 1HG LYS 33 -4.736 16.784 3.284
216 2HG LYS 33 2HG LYS 33 -4.136 15.168 2.899
217 1HD LYS 33 1HD LYS 33 -6.245 14.198 3.663
218 2HD LYS 33 2HD LYS 33 -6.849 15.809 4.054
219 1HE LYS 33 1HE LYS 33 -6.074 14.813 1.315
220 2HE LYS 33 2HE LYS 33 -7.718 15.048 1.907
221 1HZ LYS 33 1HZ LYS 33 -6.780 17.461 2.329
222 2HZ LYS 33 2HZ LYS 33 -5.743 17.030 1.065
223 3HZ LYS 33 3HZ LYS 33 -7.419 17.004 0.831
224 H GLY 34 H GLY 34 -1.568 14.260 5.961
225 1HA GLY 34 1HA GLY 34 -1.850 14.742 8.835
226 2HA GLY 34 2HA GLY 34 -0.224 14.691 8.167
227 H LYS 35 H LYS 35 -2.354 12.713 6.495
228 HA LYS 35 HA LYS 35 -2.160 10.380 8.159
229 1HB LYS 35 1HB LYS 35 -3.235 9.289 6.148
230 2HB LYS 35 2HB LYS 35 -4.143 10.609 6.870
231 1HG LYS 35 1HG LYS 35 -3.188 12.114 5.124
232 2HG LYS 35 2HG LYS 35 -2.490 10.689 4.357
233 1HD LYS 35 1HD LYS 35 -5.432 11.061 4.903
234 2HD LYS 35 2HD LYS 35 -4.653 11.429 3.364
235 1HE LYS 35 1HE LYS 35 -3.949 9.095 3.162
236 2HE LYS 35 2HE LYS 35 -4.708 8.727 4.710
237 1HZ LYS 35 1HZ LYS 35 -6.790 9.725 3.510
238 2HZ LYS 35 2HZ LYS 35 -5.951 9.270 2.114
239 3HZ LYS 35 3HZ LYS 35 -6.349 8.108 3.277
240 H VAL 36 H VAL 36 -1.803 8.474 6.090
241 HA VAL 36 HA VAL 36 0.894 8.863 5.056
242 HB VAL 36 HB VAL 36 0.240 6.512 6.847
243 1HG1 VAL 36 1HG1 VAL 36 2.738 7.318 5.376
244 2HG1 VAL 36 2HG1 VAL 36 2.703 6.097 6.649
245 3HG1 VAL 36 3HG1 VAL 36 1.783 5.851 5.164
246 1HG2 VAL 36 1HG2 VAL 36 0.535 8.724 8.032
247 2HG2 VAL 36 2HG2 VAL 36 1.634 7.432 8.516
248 3HG2 VAL 36 3HG2 VAL 36 2.198 8.715 7.445
249 H GLU 37 H GLU 37 1.242 7.712 3.185
250 HA GLU 37 HA GLU 37 -0.475 5.476 2.515
251 1HB GLU 37 1HB GLU 37 -1.258 6.463 0.402
252 2HB GLU 37 2HB GLU 37 -1.858 7.334 1.806
253 1HG GLU 37 1HG GLU 37 -0.065 9.006 1.468
254 2HG GLU 37 2HG GLU 37 0.388 8.166 -0.012
255 H TYR 38 H TYR 38 0.563 4.013 1.359
256 HA TYR 38 HA TYR 38 3.081 4.783 0.033
257 1HB TYR 38 1HB TYR 38 2.315 2.264 1.489
258 2HB TYR 38 2HB TYR 38 3.665 2.310 0.361
259 HD1 TYR 38 HD1 TYR 38 2.391 4.294 3.273
260 HD2 TYR 38 HD2 TYR 38 5.748 2.626 1.263
261 HE1 TYR 38 HE1 TYR 38 3.864 5.108 5.064
262 HE2 TYR 38 HE2 TYR 38 7.231 3.434 3.048
263 HH TYR 38 HH TYR 38 6.845 4.013 5.630
264 H LEU 39 H LEU 39 3.277 4.408 -2.077
265 HA LEU 39 HA LEU 39 1.090 3.543 -3.630
266 1HB LEU 39 1HB LEU 39 2.903 5.043 -4.428
267 2HB LEU 39 2HB LEU 39 4.010 3.686 -4.399
268 HG LEU 39 HG LEU 39 2.961 2.646 -6.234
269 1HD1 LEU 39 1HD1 LEU 39 0.656 2.940 -5.473
270 2HD1 LEU 39 2HD1 LEU 39 0.719 4.630 -5.976
271 3HD1 LEU 39 3HD1 LEU 39 0.853 3.346 -7.179
272 1HD2 LEU 39 1HD2 LEU 39 3.270 5.596 -6.498
273 2HD2 LEU 39 2HD2 LEU 39 4.253 4.298 -7.175
274 3HD2 LEU 39 3HD2 LEU 39 2.671 4.659 -7.866
275 H LEU 40 H LEU 40 0.612 1.531 -4.536
276 HA LEU 40 HA LEU 40 2.474 -0.659 -3.982
277 1HB LEU 40 1HB LEU 40 -0.392 -0.564 -3.056
278 2HB LEU 40 2HB LEU 40 0.592 -2.018 -3.057
279 HG LEU 40 HG LEU 40 1.300 0.484 -1.527
280 1HD1 LEU 40 1HD1 LEU 40 -0.208 -1.970 -0.711
281 2HD1 LEU 40 2HD1 LEU 40 0.720 -1.018 0.449
282 3HD1 LEU 40 3HD1 LEU 40 -0.614 -0.275 -0.438
283 1HD2 LEU 40 1HD2 LEU 40 2.787 -1.770 -2.263
284 2HD2 LEU 40 2HD2 LEU 40 3.225 -0.502 -1.115
285 3HD2 LEU 40 3HD2 LEU 40 2.405 -1.958 -0.550
286 H LYS 41 H LYS 41 2.621 -2.103 -5.545
287 HA LYS 41 HA LYS 41 0.895 -1.872 -7.866
288 1HB LYS 41 1HB LYS 41 3.389 -2.196 -8.020
289 2HB LYS 41 2HB LYS 41 3.162 -3.816 -7.380
290 1HG LYS 41 1HG LYS 41 3.382 -3.935 -9.761
291 2HG LYS 41 2HG LYS 41 1.721 -4.339 -9.322
292 1HD LYS 41 1HD LYS 41 1.756 -2.871 -11.262
293 2HD LYS 41 2HD LYS 41 1.030 -2.048 -9.880
294 1HE LYS 41 1HE LYS 41 3.167 -0.916 -9.450
295 2HE LYS 41 2HE LYS 41 3.869 -1.724 -10.852
296 1HZ LYS 41 1HZ LYS 41 1.418 -0.228 -11.321
297 2HZ LYS 41 2HZ LYS 41 2.789 0.693 -10.957
298 3HZ LYS 41 3HZ LYS 41 2.805 -0.363 -12.279
299 H TRP 42 H TRP 42 -0.886 -3.076 -8.143
300 HA TRP 42 HA TRP 42 -1.279 -5.366 -6.360
301 1HB TRP 42 1HB TRP 42 -3.385 -4.030 -8.056
302 2HB TRP 42 2HB TRP 42 -3.618 -5.057 -6.641
303 HD1 TRP 42 HD1 TRP 42 -3.037 -1.478 -7.650
304 HE1 TRP 42 HE1 TRP 42 -2.984 0.020 -5.558
305 HE3 TRP 42 HE3 TRP 42 -2.896 -5.109 -4.054
306 HZ2 TRP 42 HZ2 TRP 42 -2.883 -0.297 -2.753
307 HZ3 TRP 42 HZ3 TRP 42 -2.816 -4.426 -1.692
308 HH2 TRP 42 HH2 TRP 42 -2.808 -2.069 -1.055
309 H LYS 43 H LYS 43 -1.422 -7.386 -7.052
310 HA LYS 43 HA LYS 43 -0.630 -8.082 -9.669
311 1HB LYS 43 1HB LYS 43 -0.163 -9.498 -7.727
312 2HB LYS 43 2HB LYS 43 -1.884 -9.788 -7.513
313 1HG LYS 43 1HG LYS 43 -1.957 -10.906 -9.694
314 2HG LYS 43 2HG LYS 43 -0.222 -10.640 -9.875
315 1HD LYS 43 1HD LYS 43 -1.459 -12.177 -7.595
316 2HD LYS 43 2HD LYS 43 -0.862 -12.928 -9.075
317 1HE LYS 43 1HE LYS 43 0.844 -13.108 -7.409
318 2HE LYS 43 2HE LYS 43 1.371 -11.926 -8.604
319 1HZ LYS 43 1HZ LYS 43 -0.069 -10.882 -6.300
320 2HZ LYS 43 2HZ LYS 43 1.478 -11.496 -5.997
321 3HZ LYS 43 3HZ LYS 43 1.268 -10.248 -7.120
322 H GLY 44 H GLY 44 -1.738 -8.979 -11.374
323 1HA GLY 44 1HA GLY 44 -4.581 -9.436 -11.247
324 2HA GLY 44 2HA GLY 44 -3.554 -9.618 -12.661
325 H PHE 45 H PHE 45 -4.264 -6.827 -10.562
326 HA PHE 45 HA PHE 45 -5.811 -5.523 -12.579
327 1HB PHE 45 1HB PHE 45 -4.649 -4.462 -9.996
328 2HB PHE 45 2HB PHE 45 -5.770 -3.580 -11.026
329 HD1 PHE 45 HD1 PHE 45 -5.507 -6.898 -9.327
330 HD2 PHE 45 HD2 PHE 45 -7.993 -3.641 -10.480
331 HE1 PHE 45 HE1 PHE 45 -7.407 -7.944 -8.169
332 HE2 PHE 45 HE2 PHE 45 -9.897 -4.680 -9.319
333 HZ PHE 45 HZ PHE 45 -9.606 -6.834 -8.161
334 H SER 46 H SER 46 -5.261 -3.915 -13.963
335 HA SER 46 HA SER 46 -2.695 -3.793 -14.998
336 1HB SER 46 1HB SER 46 -3.456 -1.784 -16.217
337 2HB SER 46 2HB SER 46 -4.665 -3.067 -16.255
338 HG SER 46 HG SER 46 -5.603 -1.931 -14.378
339 H ASP 47 H ASP 47 -0.982 -2.382 -14.812
340 HA ASP 47 HA ASP 47 -0.358 -1.382 -12.300
341 1HB ASP 47 1HB ASP 47 1.494 -0.167 -13.447
342 2HB ASP 47 2HB ASP 47 1.385 -1.867 -13.892
343 H GLU 48 H GLU 48 -2.009 0.152 -14.970
344 HA GLU 48 HA GLU 48 -1.766 2.826 -14.236
345 1HB GLU 48 1HB GLU 48 -4.096 1.437 -15.571
346 2HB GLU 48 2HB GLU 48 -3.825 3.172 -15.544
347 1HG GLU 48 1HG GLU 48 -1.742 2.867 -16.785
348 2HG GLU 48 2HG GLU 48 -2.027 1.128 -16.822
349 H ASP 49 H ASP 49 -3.789 0.291 -12.955
350 HA ASP 49 HA ASP 49 -5.557 2.031 -11.522
351 1HB ASP 49 1HB ASP 49 -6.172 -0.270 -12.281
352 2HB ASP 49 2HB ASP 49 -5.056 -0.919 -11.084
353 H ASN 50 H ASN 50 -2.921 2.753 -10.926
354 HA ASN 50 HA ASN 50 -2.023 1.618 -8.475
355 1HB ASN 50 1HB ASN 50 -1.330 4.113 -10.000
356 2HB ASN 50 2HB ASN 50 -0.687 3.843 -8.385
357 1HD2 ASN 50 1HD2 ASN 50 -0.883 0.840 -9.253
358 2HD2 ASN 50 2HD2 ASN 50 0.606 0.607 -10.094
359 H THR 51 H THR 51 -2.244 2.332 -6.387
360 HA THR 51 HA THR 51 -3.683 4.743 -5.768
361 HB THR 51 HB THR 51 -5.599 3.330 -6.214
362 HG1 THR 51 HG1 THR 51 -5.277 4.671 -4.095
363 1HG2 THR 51 1HG2 THR 51 -4.020 1.340 -4.748
364 2HG2 THR 51 2HG2 THR 51 -5.724 1.391 -4.295
365 3HG2 THR 51 3HG2 THR 51 -5.266 1.118 -5.976
366 H TRP 52 H TRP 52 -2.715 5.559 -4.068
367 HA TRP 52 HA TRP 52 -0.943 4.005 -2.440
368 1HB TRP 52 1HB TRP 52 -1.821 6.881 -2.136
369 2HB TRP 52 2HB TRP 52 -0.432 6.124 -1.373
370 HD1 TRP 52 HD1 TRP 52 -1.592 6.387 -5.090
371 HE1 TRP 52 HE1 TRP 52 0.461 7.052 -6.494
372 HE3 TRP 52 HE3 TRP 52 1.869 6.698 -1.361
373 HZ2 TRP 52 HZ2 TRP 52 3.186 7.649 -6.069
374 HZ3 TRP 52 HZ3 TRP 52 4.166 7.319 -1.933
375 HH2 TRP 52 HH2 TRP 52 4.820 7.783 -4.240
376 H GLU 53 H GLU 53 -1.697 2.738 -0.866
377 HA GLU 53 HA GLU 53 -4.178 3.447 0.500
378 1HB GLU 53 1HB GLU 53 -2.534 0.922 0.716
379 2HB GLU 53 2HB GLU 53 -4.146 1.176 1.369
380 1HG GLU 53 1HG GLU 53 -3.401 1.154 -1.546
381 2HG GLU 53 2HG GLU 53 -4.208 -0.142 -0.669
382 HA PRO 54 HA PRO 54 -2.307 5.009 4.166
383 1HB PRO 54 1HB PRO 54 -4.012 3.876 6.039
384 2HB PRO 54 2HB PRO 54 -4.308 5.388 5.176
385 1HG PRO 54 1HG PRO 54 -5.353 2.650 4.622
386 2HG PRO 54 2HG PRO 54 -6.168 4.217 4.468
387 1HD PRO 54 1HD PRO 54 -5.247 2.883 2.327
388 2HD PRO 54 2HD PRO 54 -5.202 4.657 2.413
389 H GLU 55 H GLU 55 -0.646 4.368 5.383
390 HA GLU 55 HA GLU 55 0.439 1.827 5.247
391 1HB GLU 55 1HB GLU 55 1.739 3.801 5.857
392 2HB GLU 55 2HB GLU 55 0.860 3.940 7.373
393 1HG GLU 55 1HG GLU 55 1.772 1.770 8.077
394 2HG GLU 55 2HG GLU 55 2.686 1.686 6.572
395 H GLU 56 H GLU 56 -1.612 3.218 7.788
396 HA GLU 56 HA GLU 56 -1.440 1.173 9.657
397 1HB GLU 56 1HB GLU 56 -3.655 1.936 10.455
398 2HB GLU 56 2HB GLU 56 -2.538 3.265 10.178
399 1HG GLU 56 1HG GLU 56 -3.624 3.732 8.041
400 2HG GLU 56 2HG GLU 56 -4.745 2.402 8.322
401 H ASN 57 H ASN 57 -3.586 1.475 6.860
402 HA ASN 57 HA ASN 57 -5.075 -0.879 7.338
403 1HB ASN 57 1HB ASN 57 -4.546 0.672 4.798
404 2HB ASN 57 2HB ASN 57 -5.665 -0.684 4.897
405 1HD2 ASN 57 1HD2 ASN 57 -7.648 0.068 4.850
406 2HD2 ASN 57 2HD2 ASN 57 -8.246 1.424 5.736
407 H LEU 58 H LEU 58 -2.097 -0.231 5.569
408 HA LEU 58 HA LEU 58 -1.837 -2.642 4.206
409 1HB LEU 58 1HB LEU 58 0.485 -1.155 5.404
410 2HB LEU 58 2HB LEU 58 0.465 -2.127 3.947
411 HG LEU 58 HG LEU 58 -0.750 0.602 4.343
412 1HD1 LEU 58 1HD1 LEU 58 1.771 0.089 3.783
413 2HD1 LEU 58 2HD1 LEU 58 1.120 -0.126 2.157
414 3HD1 LEU 58 3HD1 LEU 58 0.902 1.408 2.998
415 1HD2 LEU 58 1HD2 LEU 58 -2.275 -0.810 3.033
416 2HD2 LEU 58 2HD2 LEU 58 -1.554 0.477 2.066
417 3HD2 LEU 58 3HD2 LEU 58 -0.956 -1.176 1.919
418 H ASP 59 H ASP 59 -1.394 -4.655 4.784
419 HA ASP 59 HA ASP 59 -0.542 -5.161 7.558
420 1HB ASP 59 1HB ASP 59 -2.797 -6.039 6.914
421 2HB ASP 59 2HB ASP 59 -2.017 -7.040 5.694
422 H CYS 60 H CYS 60 1.456 -4.489 5.922
423 HA CYS 60 HA CYS 60 2.974 -6.951 5.717
424 1HB CYS 60 1HB CYS 60 3.704 -6.471 3.396
425 2HB CYS 60 2HB CYS 60 1.985 -6.829 3.502
426 HG CYS 60 HG CYS 60 1.154 -4.665 2.398
427 HA PRO 61 HA PRO 61 5.143 -3.029 7.289
428 1HB PRO 61 1HB PRO 61 6.326 -4.466 9.358
429 2HB PRO 61 2HB PRO 61 4.888 -3.453 9.506
430 1HG PRO 61 1HG PRO 61 5.099 -6.411 9.189
431 2HG PRO 61 2HG PRO 61 3.961 -5.462 10.163
432 1HD PRO 61 1HD PRO 61 3.224 -6.567 7.834
433 2HD PRO 61 2HD PRO 61 2.611 -4.976 8.338
434 H ASP 62 H ASP 62 6.117 -6.387 6.827
435 HA ASP 62 HA ASP 62 8.882 -6.058 6.765
436 1HB ASP 62 1HB ASP 62 7.838 -8.261 6.808
437 2HB ASP 62 2HB ASP 62 7.172 -8.001 5.199
438 H LEU 63 H LEU 63 6.503 -5.760 4.139
439 HA LEU 63 HA LEU 63 8.370 -5.293 2.081
440 1HB LEU 63 1HB LEU 63 5.525 -4.302 2.270
441 2HB LEU 63 2HB LEU 63 6.491 -4.384 0.811
442 HG LEU 63 HG LEU 63 5.430 -6.703 2.419
443 1HD1 LEU 63 1HD1 LEU 63 4.740 -5.393 -0.158
444 2HD1 LEU 63 2HD1 LEU 63 4.523 -7.137 -0.007
445 3HD1 LEU 63 3HD1 LEU 63 3.685 -6.046 1.097
446 1HD2 LEU 63 1HD2 LEU 63 7.687 -7.216 1.627
447 2HD2 LEU 63 2HD2 LEU 63 6.473 -8.154 0.757
448 3HD2 LEU 63 3HD2 LEU 63 7.221 -6.752 -0.009
449 H ILE 64 H ILE 64 6.613 -3.108 4.241
450 HA ILE 64 HA ILE 64 7.361 -0.675 3.125
451 HB ILE 64 HB ILE 64 7.011 -1.305 6.062
452 1HG1 ILE 64 1HG1 ILE 64 5.050 -1.913 4.697
453 2HG1 ILE 64 2HG1 ILE 64 4.706 -0.554 5.760
454 1HG2 ILE 64 1HG2 ILE 64 8.183 0.839 5.548
455 2HG2 ILE 64 2HG2 ILE 64 6.737 1.356 4.679
456 3HG2 ILE 64 3HG2 ILE 64 6.656 1.030 6.411
457 1HD1 ILE 64 1HD1 ILE 64 5.607 0.072 3.012
458 2HD1 ILE 64 2HD1 ILE 64 3.986 -0.596 3.212
459 3HD1 ILE 64 3HD1 ILE 64 4.435 0.895 4.041
460 H ALA 65 H ALA 65 8.956 -2.461 5.767
461 HA ALA 65 HA ALA 65 11.163 -0.804 6.093
462 1HB ALA 65 1HB ALA 65 12.236 -3.201 6.678
463 2HB ALA 65 2HB ALA 65 11.146 -2.333 7.762
464 3HB ALA 65 3HB ALA 65 10.522 -3.616 6.725
465 H GLU 66 H GLU 66 10.557 -3.371 3.783
466 HA GLU 66 HA GLU 66 13.125 -3.676 2.730
467 1HB GLU 66 1HB GLU 66 11.242 -5.211 2.285
468 2HB GLU 66 2HB GLU 66 10.464 -3.972 1.313
469 1HG GLU 66 1HG GLU 66 13.208 -4.960 0.639
470 2HG GLU 66 2HG GLU 66 11.771 -5.846 0.137
471 H PHE 67 H PHE 67 10.603 -1.328 2.005
472 HA PHE 67 HA PHE 67 11.840 -0.260 -0.313
473 1HB PHE 67 1HB PHE 67 9.509 0.049 -0.085
474 2HB PHE 67 2HB PHE 67 9.664 0.740 1.521
475 HD1 PHE 67 HD1 PHE 67 10.970 1.436 -1.916
476 HD2 PHE 67 HD2 PHE 67 9.272 2.969 1.671
477 HE1 PHE 67 HE1 PHE 67 10.957 3.695 -2.891
478 HE2 PHE 67 HE2 PHE 67 9.255 5.228 0.711
479 HZ PHE 67 HZ PHE 67 10.100 5.597 -1.578
480 H LEU 68 H LEU 68 11.646 0.988 3.041
481 HA LEU 68 HA LEU 68 13.362 3.182 2.488
482 1HB LEU 68 1HB LEU 68 12.550 1.967 5.127
483 2HB LEU 68 2HB LEU 68 13.318 3.529 4.915
484 HG LEU 68 HG LEU 68 11.020 3.934 5.274
485 1HD1 LEU 68 1HD1 LEU 68 12.141 5.212 3.444
486 2HD1 LEU 68 2HD1 LEU 68 11.363 4.114 2.302
487 3HD1 LEU 68 3HD1 LEU 68 10.381 5.148 3.341
488 1HD2 LEU 68 1HD2 LEU 68 10.163 1.707 4.800
489 2HD2 LEU 68 2HD2 LEU 68 9.228 2.954 3.975
490 3HD2 LEU 68 3HD2 LEU 68 10.398 1.989 3.075
491 H GLN 69 H GLN 69 13.899 -0.103 3.182
492 HA GLN 69 HA GLN 69 16.302 -0.036 4.594
493 1HB GLN 69 1HB GLN 69 14.936 -2.066 4.185
494 2HB GLN 69 2HB GLN 69 15.459 -2.054 2.506
495 1HG GLN 69 1HG GLN 69 17.763 -2.357 3.216
496 2HG GLN 69 2HG GLN 69 17.248 -2.351 4.900
497 1HE2 GLN 69 1HE2 GLN 69 17.133 -4.286 5.757
498 2HE2 GLN 69 2HE2 GLN 69 16.720 -5.749 4.936
499 H SER 70 H SER 70 15.684 0.249 1.132
500 HA SER 70 HA SER 70 18.482 0.206 0.454
501 1HB SER 70 1HB SER 70 17.655 0.796 -1.835
502 2HB SER 70 2HB SER 70 16.915 -0.658 -1.165
503 HG SER 70 HG SER 70 15.410 1.359 -0.414
504 H GLN 71 H GLN 71 15.943 2.667 0.638
505 HA GLN 71 HA GLN 71 17.581 4.829 -0.187
506 1HB GLN 71 1HB GLN 71 14.907 4.611 1.142
507 2HB GLN 71 2HB GLN 71 15.691 6.176 0.994
508 1HG GLN 71 1HG GLN 71 14.073 5.720 -0.802
509 2HG GLN 71 2HG GLN 71 15.707 6.008 -1.398
510 1HE2 GLN 71 1HE2 GLN 71 13.043 4.030 -1.575
511 2HE2 GLN 71 2HE2 GLN 71 13.765 2.670 -2.358
512 H LYS 72 H LYS 72 17.127 3.283 2.901
513 HA LYS 72 HA LYS 72 17.908 5.466 4.508
514 1HB LYS 72 1HB LYS 72 18.222 3.882 6.300
515 2HB LYS 72 2HB LYS 72 16.744 3.518 5.424
516 1HG LYS 72 1HG LYS 72 17.851 1.696 4.263
517 2HG LYS 72 2HG LYS 72 19.367 2.078 5.080
518 1HD LYS 72 1HD LYS 72 16.811 1.246 6.457
519 2HD LYS 72 2HD LYS 72 18.172 0.177 6.113
520 1HE LYS 72 1HE LYS 72 18.237 2.635 7.863
521 2HE LYS 72 2HE LYS 72 18.230 0.964 8.423
522 1HZ LYS 72 1HZ LYS 72 20.328 0.913 6.803
523 2HZ LYS 72 2HZ LYS 72 20.400 2.531 7.292
524 3HZ LYS 72 3HZ LYS 72 20.444 1.296 8.446
525 H THR 73 H THR 73 20.017 3.756 5.968
526 HA THR 73 HA THR 73 22.288 3.925 6.175
527 HB THR 73 HB THR 73 23.637 3.156 4.274
528 HG1 THR 73 HG1 THR 73 22.315 2.561 2.329
529 1HG2 THR 73 1HG2 THR 73 21.092 1.660 4.842
530 2HG2 THR 73 2HG2 THR 73 22.352 0.996 3.802
531 3HG2 THR 73 3HG2 THR 73 22.707 1.371 5.487
532 H ALA 74 H ALA 74 20.648 6.211 5.427
533 HA ALA 74 HA ALA 74 22.527 8.248 5.273
534 1HB ALA 74 1HB ALA 74 22.983 7.602 3.000
535 2HB ALA 74 2HB ALA 74 21.261 7.548 2.618
536 3HB ALA 74 3HB ALA 74 22.042 9.094 2.964
537 H HIS 75 H HIS 75 19.356 6.986 4.806
538 HA HIS 75 HA HIS 75 17.825 9.303 4.634
539 1HB HIS 75 1HB HIS 75 16.912 7.081 4.210
540 2HB HIS 75 2HB HIS 75 17.117 6.660 5.907
541 HD1 HIS 75 HD1 HIS 75 15.347 9.466 4.021
542 HD2 HIS 75 HD2 HIS 75 14.774 6.870 7.214
543 HE1 HIS 75 HE1 HIS 75 13.051 9.985 4.906
544 HE2 HIS 75 HE2 HIS 75 12.766 8.468 6.897
545 H GLU 76 H GLU 76 17.244 10.832 6.031
546 HA GLU 76 HA GLU 76 16.884 11.991 7.945
547 1HB GLU 76 1HB GLU 76 15.678 10.010 8.727
548 2HB GLU 76 2HB GLU 76 17.183 9.317 9.316
549 1HG GLU 76 1HG GLU 76 17.411 11.146 10.910
550 2HG GLU 76 2HG GLU 76 15.914 11.858 10.312
551 H THR 77 H THR 77 19.657 9.859 7.842
552 HA THR 77 HA THR 77 21.776 10.026 8.644
553 HB THR 77 HB THR 77 22.823 12.231 8.666
554 HG1 THR 77 HG1 THR 77 20.436 13.504 7.949
555 1HG2 THR 77 1HG2 THR 77 22.069 10.987 6.499
556 2HG2 THR 77 2HG2 THR 77 20.954 12.344 6.338
557 3HG2 THR 77 3HG2 THR 77 22.693 12.634 6.398
558 H ASP 78 H ASP 78 19.943 9.453 10.589
559 HA ASP 78 HA ASP 78 21.295 10.449 12.943
560 1HB ASP 78 1HB ASP 78 18.330 10.905 12.534
561 2HB ASP 78 2HB ASP 78 19.153 11.074 14.080
562 H LYS 79 H LYS 79 18.582 9.469 14.279
563 HA LYS 79 HA LYS 79 19.536 6.872 14.894
564 1HB LYS 79 1HB LYS 79 16.815 8.090 15.404
565 2HB LYS 79 2HB LYS 79 17.451 6.641 16.171
566 1HG LYS 79 1HG LYS 79 19.219 7.956 17.215
567 2HG LYS 79 2HG LYS 79 18.603 9.412 16.432
568 1HD LYS 79 1HD LYS 79 17.827 9.323 18.724
569 2HD LYS 79 2HD LYS 79 16.464 9.116 17.624
570 1HE LYS 79 1HE LYS 79 16.561 6.695 17.965
571 2HE LYS 79 2HE LYS 79 17.926 6.902 19.062
572 1HZ LYS 79 1HZ LYS 79 15.771 8.549 19.863
573 2HZ LYS 79 2HZ LYS 79 15.235 6.953 19.699
574 3HZ LYS 79 3HZ LYS 79 16.536 7.307 20.720
575 H SER 80 H SER 80 16.635 5.835 14.857
576 HA SER 80 HA SER 80 15.412 4.398 13.597
577 1HB SER 80 1HB SER 80 16.247 6.258 11.358
578 2HB SER 80 2HB SER 80 14.967 5.050 11.248
579 HG SER 80 HG SER 80 13.803 6.703 11.888
580 H1 ALA 1 H1 ALA 1 4.560 -21.075 3.290
581 H2 ALA 1 H2 ALA 1 5.218 -22.516 3.882
582 H3 ALA 1 H3 ALA 1 4.007 -22.564 2.702
583 HA ALA 1 HA ALA 1 2.376 -22.404 4.164
584 1HB ALA 1 1HB ALA 1 4.442 -23.778 5.291
585 2HB ALA 1 2HB ALA 1 2.806 -23.690 5.945
586 3HB ALA 1 3HB ALA 1 4.058 -22.603 6.550
587 H ARG 2 H ARG 2 5.095 -20.402 5.229
588 HA ARG 2 HA ARG 2 3.744 -18.788 7.043
589 1HB ARG 2 1HB ARG 2 5.520 -17.053 6.412
590 2HB ARG 2 2HB ARG 2 6.072 -18.591 7.054
591 1HG ARG 2 1HG ARG 2 7.516 -18.132 5.281
592 2HG ARG 2 2HG ARG 2 6.378 -19.311 4.629
593 1HD ARG 2 1HD ARG 2 6.808 -17.508 3.039
594 2HD ARG 2 2HD ARG 2 5.123 -17.520 3.554
595 HE ARG 2 HE ARG 2 6.531 -15.769 5.215
596 1HH1 ARG 2 1HH1 ARG 2 5.552 -16.038 1.882
597 2HH1 ARG 2 2HH1 ARG 2 5.471 -14.326 1.634
598 1HH2 ARG 2 1HH2 ARG 2 6.426 -13.515 4.897
599 2HH2 ARG 2 2HH2 ARG 2 5.967 -12.893 3.347
600 H THR 3 H THR 3 2.596 -16.906 6.921
601 HA THR 3 HA THR 3 1.015 -16.509 4.612
602 HB THR 3 HB THR 3 0.106 -15.980 6.786
603 HG1 THR 3 HG1 THR 3 0.439 -13.764 5.038
604 1HG2 THR 3 1HG2 THR 3 2.588 -14.881 7.323
605 2HG2 THR 3 2HG2 THR 3 1.523 -13.479 7.241
606 3HG2 THR 3 3HG2 THR 3 1.165 -14.792 8.362
607 H GLN 5 H GLN 5 3.915 -11.543 2.275
608 HA GLN 5 HA GLN 5 2.385 -9.830 3.781
609 1HB GLN 5 1HB GLN 5 4.139 -9.304 1.392
610 2HB GLN 5 2HB GLN 5 3.383 -8.005 2.302
611 1HG GLN 5 1HG GLN 5 5.673 -8.360 3.016
612 2HG GLN 5 2HG GLN 5 4.541 -8.721 4.318
613 1HE2 GLN 5 1HE2 GLN 5 5.073 -10.432 5.443
614 2HE2 GLN 5 2HE2 GLN 5 5.881 -11.840 4.851
615 H THR 6 H THR 6 0.630 -8.583 3.511
616 HA THR 6 HA THR 6 -0.613 -8.268 0.899
617 HB THR 6 HB THR 6 -2.827 -9.027 1.711
618 HG1 THR 6 HG1 THR 6 -2.396 -10.587 3.667
619 1HG2 THR 6 1HG2 THR 6 -0.982 -10.542 0.575
620 2HG2 THR 6 2HG2 THR 6 -1.057 -11.385 2.122
621 3HG2 THR 6 3HG2 THR 6 -2.509 -11.222 1.135
622 H ALA 7 H ALA 7 -1.945 -6.461 0.776
623 HA ALA 7 HA ALA 7 -2.391 -4.947 3.252
624 1HB ALA 7 1HB ALA 7 -0.426 -3.930 2.396
625 2HB ALA 7 2HB ALA 7 -1.071 -3.903 0.755
626 3HB ALA 7 3HB ALA 7 -1.763 -2.853 1.992
627 H ARG 8 H ARG 8 -4.407 -4.214 3.418
628 HA ARG 8 HA ARG 8 -6.341 -4.727 1.415
629 1HB ARG 8 1HB ARG 8 -6.557 -2.932 3.841
630 2HB ARG 8 2HB ARG 8 -7.902 -3.567 2.905
631 1HG ARG 8 1HG ARG 8 -7.298 -5.839 3.564
632 2HG ARG 8 2HG ARG 8 -5.939 -5.208 4.496
633 1HD ARG 8 1HD ARG 8 -7.538 -3.908 5.868
634 2HD ARG 8 2HD ARG 8 -8.864 -4.653 4.977
635 HE ARG 8 HE ARG 8 -7.493 -5.773 7.160
636 1HH1 ARG 8 1HH1 ARG 8 -8.769 -6.675 4.043
637 2HH1 ARG 8 2HH1 ARG 8 -9.024 -8.329 4.487
638 1HH2 ARG 8 1HH2 ARG 8 -7.826 -7.946 7.748
639 2HH2 ARG 8 2HH2 ARG 8 -8.489 -9.052 6.591
640 H SER 10 H SER 10 -7.935 -1.399 1.154
641 HA SER 10 HA SER 10 -9.984 -0.527 1.666
642 1HB SER 10 1HB SER 10 -8.594 1.500 1.720
643 2HB SER 10 2HB SER 10 -8.890 1.757 0.000
644 HG SER 10 HG SER 10 -10.486 2.918 0.776
645 H THR 11 H THR 11 -10.212 -2.311 -0.400
646 HA THR 11 HA THR 11 -11.413 -1.373 -2.746
647 HB THR 11 HB THR 11 -11.910 -4.006 -1.342
648 HG1 THR 11 HG1 THR 11 -10.152 -3.565 -3.518
649 1HG2 THR 11 1HG2 THR 11 -13.492 -3.189 -3.235
650 2HG2 THR 11 2HG2 THR 11 -12.126 -3.543 -4.293
651 3HG2 THR 11 3HG2 THR 11 -12.835 -4.824 -3.309
652 H GLY 12 H GLY 12 -12.985 -2.672 0.188
653 1HA GLY 12 1HA GLY 12 -15.003 -0.776 0.368
654 2HA GLY 12 2HA GLY 12 -15.119 -2.413 0.999
655 H GLY 13 H GLY 13 -17.065 -0.566 -0.411
656 1HA GLY 13 1HA GLY 13 -17.658 -1.371 -2.984
657 2HA GLY 13 2HA GLY 13 -18.864 -0.866 -1.812
658 H LYS 14 H LYS 14 -18.395 -3.146 -3.934
659 HA LYS 14 HA LYS 14 -18.698 -5.562 -2.463
660 1HB LYS 14 1HB LYS 14 -21.041 -6.029 -3.018
661 2HB LYS 14 2HB LYS 14 -20.900 -4.617 -1.981
662 1HG LYS 14 1HG LYS 14 -21.209 -3.157 -3.903
663 2HG LYS 14 2HG LYS 14 -21.310 -4.563 -4.964
664 1HD LYS 14 1HD LYS 14 -23.296 -5.327 -3.734
665 2HD LYS 14 2HD LYS 14 -23.201 -3.894 -2.709
666 1HE LYS 14 1HE LYS 14 -23.605 -3.905 -5.698
667 2HE LYS 14 2HE LYS 14 -24.859 -3.625 -4.491
668 1HZ LYS 14 1HZ LYS 14 -22.439 -1.932 -4.640
669 2HZ LYS 14 2HZ LYS 14 -23.812 -1.603 -5.572
670 3HZ LYS 14 3HZ LYS 14 -23.914 -1.595 -3.884
671 H ALA 15 H ALA 15 -18.339 -7.296 -3.746
672 HA ALA 15 HA ALA 15 -17.295 -6.950 -6.313
673 1HB ALA 15 1HB ALA 15 -18.000 -9.600 -6.255
674 2HB ALA 15 2HB ALA 15 -16.504 -8.920 -5.617
675 3HB ALA 15 3HB ALA 15 -17.876 -9.194 -4.544
676 HA PRO 16 HA PRO 16 -20.919 -6.635 -8.852
677 1HB PRO 16 1HB PRO 16 -19.811 -7.441 -11.219
678 2HB PRO 16 2HB PRO 16 -19.597 -5.825 -10.536
679 1HG PRO 16 1HG PRO 16 -17.763 -8.189 -10.420
680 2HG PRO 16 2HG PRO 16 -17.374 -6.485 -10.722
681 1HD PRO 16 1HD PRO 16 -16.983 -7.622 -8.316
682 2HD PRO 16 2HD PRO 16 -17.499 -5.930 -8.476
683 H GLY 17 H GLY 17 -18.888 -9.534 -9.254
684 1HA GLY 17 1HA GLY 17 -20.980 -11.339 -8.688
685 2HA GLY 17 2HA GLY 17 -19.441 -11.755 -9.426
686 H GLY 18 H GLY 18 -22.417 -12.414 -9.918
687 1HA GLY 18 1HA GLY 18 -22.188 -12.820 -12.701
688 2HA GLY 18 2HA GLY 18 -23.199 -11.413 -12.409
No H/Q in entry = 688
Start of MODEL 2
1 H1 HIS 8 H1 HIS 8 -21.886 13.784 -0.470
2 H2 HIS 8 H2 HIS 8 -21.494 15.430 -0.437
3 H3 HIS 8 H3 HIS 8 -23.001 14.908 0.126
4 HA HIS 8 HA HIS 8 -23.903 14.992 -1.872
5 1HB HIS 8 1HB HIS 8 -21.192 16.103 -2.648
6 2HB HIS 8 2HB HIS 8 -22.690 16.337 -3.543
7 HD1 HIS 8 HD1 HIS 8 -21.600 16.930 0.064
8 HD2 HIS 8 HD2 HIS 8 -23.719 18.766 -3.002
9 HE1 HIS 8 HE1 HIS 8 -22.339 19.146 0.993
10 HE2 HIS 8 HE2 HIS 8 -23.694 20.202 -0.850
11 H MET 9 H MET 9 -22.126 14.891 -4.404
12 HA MET 9 HA MET 9 -21.648 13.345 -5.998
13 1HB MET 9 1HB MET 9 -20.656 11.753 -3.625
14 2HB MET 9 2HB MET 9 -20.246 11.450 -5.307
15 1HG MET 9 1HG MET 9 -19.556 13.923 -3.739
16 2HG MET 9 2HG MET 9 -18.454 12.610 -4.148
17 1HE MET 9 1HE MET 9 -18.431 11.692 -6.444
18 2HE MET 9 2HE MET 9 -19.274 12.431 -7.805
19 3HE MET 9 3HE MET 9 -17.561 12.758 -7.547
20 H VAL 10 H VAL 10 -21.644 10.349 -4.967
21 HA VAL 10 HA VAL 10 -24.383 9.762 -4.477
22 HB VAL 10 HB VAL 10 -24.635 10.368 -6.823
23 1HG1 VAL 10 1HG1 VAL 10 -22.494 8.305 -7.296
24 2HG1 VAL 10 2HG1 VAL 10 -23.521 8.967 -8.568
25 3HG1 VAL 10 3HG1 VAL 10 -22.433 10.027 -7.672
26 1HG2 VAL 10 1HG2 VAL 10 -24.968 7.529 -5.987
27 2HG2 VAL 10 2HG2 VAL 10 -26.188 8.753 -6.337
28 3HG2 VAL 10 3HG2 VAL 10 -25.318 7.972 -7.657
29 H GLU 11 H GLU 11 -21.293 8.618 -5.745
30 HA GLU 11 HA GLU 11 -20.042 6.777 -5.318
31 1HB GLU 11 1HB GLU 11 -21.901 6.466 -2.955
32 2HB GLU 11 2HB GLU 11 -20.406 5.571 -3.190
33 1HG GLU 11 1HG GLU 11 -20.633 8.556 -2.880
34 2HG GLU 11 2HG GLU 11 -20.122 7.422 -1.631
35 H GLU 12 H GLU 12 -19.966 4.799 -6.177
36 HA GLU 12 HA GLU 12 -21.997 2.855 -6.042
37 1HB GLU 12 1HB GLU 12 -23.104 4.510 -7.583
38 2HB GLU 12 2HB GLU 12 -21.805 4.226 -8.732
39 1HG GLU 12 1HG GLU 12 -23.738 2.946 -9.357
40 2HG GLU 12 2HG GLU 12 -22.451 1.857 -8.848
41 H VAL 13 H VAL 13 -19.204 3.033 -5.688
42 HA VAL 13 HA VAL 13 -17.865 1.860 -7.944
43 HB VAL 13 HB VAL 13 -15.935 1.640 -6.439
44 1HG1 VAL 13 1HG1 VAL 13 -16.874 3.892 -7.510
45 2HG1 VAL 13 2HG1 VAL 13 -16.932 4.357 -5.810
46 3HG1 VAL 13 3HG1 VAL 13 -15.407 3.847 -6.533
47 1HG2 VAL 13 1HG2 VAL 13 -17.763 1.440 -4.427
48 2HG2 VAL 13 2HG2 VAL 13 -16.041 1.743 -4.199
49 3HG2 VAL 13 3HG2 VAL 13 -17.178 3.090 -4.217
50 H LEU 14 H LEU 14 -17.301 -0.244 -8.277
51 HA LEU 14 HA LEU 14 -18.904 -2.277 -7.182
52 1HB LEU 14 1HB LEU 14 -17.868 -2.450 -9.387
53 2HB LEU 14 2HB LEU 14 -16.275 -2.473 -8.655
54 HG LEU 14 HG LEU 14 -16.830 -4.626 -7.565
55 1HD1 LEU 14 1HD1 LEU 14 -19.412 -3.987 -7.934
56 2HD1 LEU 14 2HD1 LEU 14 -19.161 -5.047 -9.321
57 3HD1 LEU 14 3HD1 LEU 14 -18.842 -5.638 -7.691
58 1HD2 LEU 14 1HD2 LEU 14 -15.801 -4.335 -9.914
59 2HD2 LEU 14 2HD2 LEU 14 -16.390 -5.928 -9.437
60 3HD2 LEU 14 3HD2 LEU 14 -17.363 -4.909 -10.497
61 H GLU 15 H GLU 15 -18.641 -3.647 -5.499
62 HA GLU 15 HA GLU 15 -17.818 -4.572 -3.595
63 1HB GLU 15 1HB GLU 15 -15.132 -3.798 -4.749
64 2HB GLU 15 2HB GLU 15 -15.374 -4.863 -3.372
65 1HG GLU 15 1HG GLU 15 -16.311 -5.374 -6.186
66 2HG GLU 15 2HG GLU 15 -14.918 -6.118 -5.402
67 H GLU 16 H GLU 16 -17.284 -3.980 -1.488
68 HA GLU 16 HA GLU 16 -16.245 -1.306 -0.996
69 1HB GLU 16 1HB GLU 16 -18.657 -0.944 -1.235
70 2HB GLU 16 2HB GLU 16 -18.973 -2.181 -0.026
71 1HG GLU 16 1HG GLU 16 -17.842 -0.828 1.660
72 2HG GLU 16 2HG GLU 16 -17.519 0.412 0.449
73 H GLU 17 H GLU 17 -17.473 -4.346 0.301
74 HA GLU 17 HA GLU 17 -16.625 -4.095 2.942
75 1HB GLU 17 1HB GLU 17 -16.742 -6.593 1.240
76 2HB GLU 17 2HB GLU 17 -16.647 -6.562 2.996
77 1HG GLU 17 1HG GLU 17 -18.805 -5.445 3.107
78 2HG GLU 17 2HG GLU 17 -18.899 -5.434 1.348
79 H GLU 18 H GLU 18 -14.718 -4.409 3.994
80 HA GLU 18 HA GLU 18 -12.312 -3.964 2.699
81 1HB GLU 18 1HB GLU 18 -12.792 -5.277 5.349
82 2HB GLU 18 2HB GLU 18 -11.233 -4.693 4.803
83 1HG GLU 18 1HG GLU 18 -12.147 -2.421 4.680
84 2HG GLU 18 2HG GLU 18 -13.694 -3.025 5.274
85 H GLU 19 H GLU 19 -10.782 -5.205 1.771
86 HA GLU 19 HA GLU 19 -10.811 -8.092 2.117
87 1HB GLU 19 1HB GLU 19 -11.339 -6.734 -0.510
88 2HB GLU 19 2HB GLU 19 -10.704 -8.372 -0.413
89 1HG GLU 19 1HG GLU 19 -13.302 -7.424 0.768
90 2HG GLU 19 2HG GLU 19 -13.111 -8.349 -0.715
91 H GLU 20 H GLU 20 -8.805 -8.929 2.062
92 HA GLU 20 HA GLU 20 -6.577 -7.141 1.711
93 1HB GLU 20 1HB GLU 20 -6.661 -10.087 2.384
94 2HB GLU 20 2HB GLU 20 -5.204 -9.104 2.372
95 1HG GLU 20 1HG GLU 20 -5.803 -9.204 4.612
96 2HG GLU 20 2HG GLU 20 -6.393 -7.631 4.082
97 H TYR 21 H TYR 21 -5.152 -7.051 0.068
98 HA TYR 21 HA TYR 21 -5.466 -8.989 -2.126
99 1HB TYR 21 1HB TYR 21 -5.187 -5.992 -2.292
100 2HB TYR 21 2HB TYR 21 -4.825 -7.042 -3.657
101 HD1 TYR 21 HD1 TYR 21 -6.496 -7.268 -5.215
102 HD2 TYR 21 HD2 TYR 21 -7.587 -6.610 -1.156
103 HE1 TYR 21 HE1 TYR 21 -8.869 -7.258 -5.860
104 HE2 TYR 21 HE2 TYR 21 -9.962 -6.603 -1.790
105 HH TYR 21 HH TYR 21 -11.157 -6.034 -4.448
106 H VAL 22 H VAL 22 -3.642 -9.759 -3.058
107 HA VAL 22 HA VAL 22 -1.241 -9.761 -1.632
108 HB VAL 22 HB VAL 22 -1.567 -10.377 -4.570
109 1HG1 VAL 22 1HG1 VAL 22 0.490 -11.180 -2.525
110 2HG1 VAL 22 2HG1 VAL 22 0.313 -11.968 -4.093
111 3HG1 VAL 22 3HG1 VAL 22 0.739 -10.259 -4.008
112 1HG2 VAL 22 1HG2 VAL 22 -3.075 -11.535 -2.712
113 2HG2 VAL 22 2HG2 VAL 22 -2.429 -12.424 -4.092
114 3HG2 VAL 22 3HG2 VAL 22 -1.625 -12.521 -2.525
115 H VAL 23 H VAL 23 0.727 -8.734 -1.902
116 HA VAL 23 HA VAL 23 0.960 -6.683 -3.965
117 HB VAL 23 HB VAL 23 0.063 -5.434 -2.115
118 1HG1 VAL 23 1HG1 VAL 23 0.932 -7.139 -0.398
119 2HG1 VAL 23 2HG1 VAL 23 2.383 -6.137 -0.379
120 3HG1 VAL 23 3HG1 VAL 23 0.821 -5.438 0.058
121 1HG2 VAL 23 1HG2 VAL 23 2.134 -4.660 -3.528
122 2HG2 VAL 23 2HG2 VAL 23 1.549 -3.687 -2.178
123 3HG2 VAL 23 3HG2 VAL 23 2.952 -4.736 -1.967
124 H GLU 24 H GLU 24 2.944 -6.520 -4.789
125 HA GLU 24 HA GLU 24 4.954 -8.378 -3.930
126 1HB GLU 24 1HB GLU 24 4.552 -7.958 -6.302
127 2HB GLU 24 2HB GLU 24 5.006 -6.273 -6.096
128 1HG GLU 24 1HG GLU 24 7.272 -6.955 -5.495
129 2HG GLU 24 2HG GLU 24 6.817 -8.645 -5.705
130 H LYS 25 H LYS 25 4.918 -4.811 -4.271
131 HA LYS 25 HA LYS 25 6.369 -4.390 -1.869
132 1HB LYS 25 1HB LYS 25 8.231 -5.302 -3.154
133 2HB LYS 25 2HB LYS 25 7.930 -4.141 -4.442
134 1HG LYS 25 1HG LYS 25 8.467 -2.310 -2.896
135 2HG LYS 25 2HG LYS 25 8.814 -3.495 -1.636
136 1HD LYS 25 1HD LYS 25 10.618 -4.422 -2.970
137 2HD LYS 25 2HD LYS 25 10.239 -3.312 -4.290
138 1HE LYS 25 1HE LYS 25 10.770 -1.413 -2.841
139 2HE LYS 25 2HE LYS 25 11.147 -2.522 -1.523
140 1HZ LYS 25 1HZ LYS 25 12.612 -3.236 -3.829
141 2HZ LYS 25 2HZ LYS 25 12.861 -1.596 -3.493
142 3HZ LYS 25 3HZ LYS 25 13.189 -2.761 -2.312
143 H VAL 26 H VAL 26 6.501 -2.211 -1.305
144 HA VAL 26 HA VAL 26 4.689 -0.495 -2.646
145 HB VAL 26 HB VAL 26 5.489 1.286 -1.113
146 1HG1 VAL 26 1HG1 VAL 26 3.878 -0.787 -0.595
147 2HG1 VAL 26 2HG1 VAL 26 5.069 -0.991 0.694
148 3HG1 VAL 26 3HG1 VAL 26 4.186 0.532 0.531
149 1HG2 VAL 26 1HG2 VAL 26 7.829 0.342 -0.998
150 2HG2 VAL 26 2HG2 VAL 26 7.122 0.934 0.506
151 3HG2 VAL 26 3HG2 VAL 26 7.193 -0.800 0.189
152 H LEU 27 H LEU 27 4.974 1.141 -4.015
153 HA LEU 27 HA LEU 27 7.508 1.296 -5.379
154 1HB LEU 27 1HB LEU 27 4.882 2.693 -5.872
155 2HB LEU 27 2HB LEU 27 6.304 2.901 -6.871
156 HG LEU 27 HG LEU 27 6.218 0.453 -7.384
157 1HD1 LEU 27 1HD1 LEU 27 3.810 0.659 -5.654
158 2HD1 LEU 27 2HD1 LEU 27 3.797 -0.462 -7.017
159 3HD1 LEU 27 3HD1 LEU 27 5.022 -0.618 -5.757
160 1HD2 LEU 27 1HD2 LEU 27 4.984 2.500 -8.596
161 2HD2 LEU 27 2HD2 LEU 27 4.930 0.842 -9.193
162 3HD2 LEU 27 3HD2 LEU 27 3.591 1.480 -8.238
163 H ASP 28 H ASP 28 5.776 3.088 -2.948
164 HA ASP 28 HA ASP 28 7.997 4.695 -2.330
165 1HB ASP 28 1HB ASP 28 7.277 5.653 -4.616
166 2HB ASP 28 2HB ASP 28 5.912 6.345 -3.746
167 H ARG 29 H ARG 29 6.400 7.121 -1.706
168 HA ARG 29 HA ARG 29 4.222 6.413 -0.025
169 1HB ARG 29 1HB ARG 29 5.251 6.853 2.138
170 2HB ARG 29 2HB ARG 29 6.066 5.510 1.347
171 1HG ARG 29 1HG ARG 29 7.879 6.995 0.674
172 2HG ARG 29 2HG ARG 29 7.057 8.353 1.444
173 1HD ARG 29 1HD ARG 29 7.210 7.193 3.607
174 2HD ARG 29 2HD ARG 29 8.075 5.872 2.824
175 HE ARG 29 HE ARG 29 9.426 8.264 2.284
176 1HH1 ARG 29 1HH1 ARG 29 8.716 6.159 4.970
177 2HH1 ARG 29 2HH1 ARG 29 10.150 6.580 5.844
178 1HH2 ARG 29 1HH2 ARG 29 11.317 8.822 3.428
179 2HH2 ARG 29 2HH2 ARG 29 11.628 8.093 4.968
180 H ARG 30 H ARG 30 3.097 8.227 0.641
181 HA ARG 30 HA ARG 30 4.322 10.841 0.550
182 1HB ARG 30 1HB ARG 30 2.724 11.753 -1.097
183 2HB ARG 30 2HB ARG 30 3.797 10.550 -1.799
184 1HG ARG 30 1HG ARG 30 2.027 8.879 -1.662
185 2HG ARG 30 2HG ARG 30 0.950 10.074 -0.935
186 1HD ARG 30 1HD ARG 30 2.184 10.249 -3.682
187 2HD ARG 30 2HD ARG 30 0.516 9.797 -3.331
188 HE ARG 30 HE ARG 30 1.028 12.294 -2.171
189 1HH1 ARG 30 1HH1 ARG 30 0.717 10.835 -5.320
190 2HH1 ARG 30 2HH1 ARG 30 0.158 12.287 -6.080
191 1HH2 ARG 30 1HH2 ARG 30 0.292 14.211 -3.163
192 2HH2 ARG 30 2HH2 ARG 30 -0.083 14.206 -4.854
193 H VAL 31 H VAL 31 3.438 12.104 2.069
194 HA VAL 31 HA VAL 31 1.189 11.127 3.565
195 HB VAL 31 HB VAL 31 2.971 13.527 3.880
196 1HG1 VAL 31 1HG1 VAL 31 0.489 12.882 5.472
197 2HG1 VAL 31 2HG1 VAL 31 1.719 14.048 5.958
198 3HG1 VAL 31 3HG1 VAL 31 0.773 14.322 4.495
199 1HG2 VAL 31 1HG2 VAL 31 3.641 11.193 4.600
200 2HG2 VAL 31 2HG2 VAL 31 3.706 12.439 5.847
201 3HG2 VAL 31 3HG2 VAL 31 2.357 11.303 5.807
202 H VAL 32 H VAL 32 -0.801 11.969 3.767
203 HA VAL 32 HA VAL 32 -1.596 14.326 2.272
204 HB VAL 32 HB VAL 32 -3.499 13.204 1.207
205 1HG1 VAL 32 1HG1 VAL 32 -0.775 12.120 0.543
206 2HG1 VAL 32 2HG1 VAL 32 -2.197 11.815 -0.456
207 3HG1 VAL 32 3HG1 VAL 32 -1.630 13.467 -0.210
208 1HG2 VAL 32 1HG2 VAL 32 -2.482 10.892 2.733
209 2HG2 VAL 32 2HG2 VAL 32 -4.133 11.322 2.285
210 3HG2 VAL 32 3HG2 VAL 32 -3.069 10.558 1.105
211 H LYS 33 H LYS 33 -3.173 15.419 3.324
212 HA LYS 33 HA LYS 33 -4.349 16.080 5.161
213 1HB LYS 33 1HB LYS 33 -6.366 14.792 5.586
214 2HB LYS 33 2HB LYS 33 -6.062 14.892 3.860
215 1HG LYS 33 1HG LYS 33 -5.124 12.613 3.925
216 2HG LYS 33 2HG LYS 33 -5.529 12.522 5.640
217 1HD LYS 33 1HD LYS 33 -7.896 12.857 5.088
218 2HD LYS 33 2HD LYS 33 -7.481 12.926 3.374
219 1HE LYS 33 1HE LYS 33 -8.319 10.719 3.983
220 2HE LYS 33 2HE LYS 33 -6.630 10.640 3.482
221 1HZ LYS 33 1HZ LYS 33 -6.140 10.818 5.971
222 2HZ LYS 33 2HZ LYS 33 -7.761 10.388 6.196
223 3HZ LYS 33 3HZ LYS 33 -6.712 9.339 5.383
224 H GLY 34 H GLY 34 -1.882 14.913 5.840
225 1HA GLY 34 1HA GLY 34 -2.471 14.186 8.590
226 2HA GLY 34 2HA GLY 34 -0.897 14.596 7.933
227 H LYS 35 H LYS 35 -2.998 12.135 6.545
228 HA LYS 35 HA LYS 35 -1.481 10.011 7.806
229 1HB LYS 35 1HB LYS 35 -3.902 10.022 6.017
230 2HB LYS 35 2HB LYS 35 -3.108 8.548 6.545
231 1HG LYS 35 1HG LYS 35 -3.508 9.202 8.887
232 2HG LYS 35 2HG LYS 35 -4.383 10.622 8.308
233 1HD LYS 35 1HD LYS 35 -6.018 9.210 7.217
234 2HD LYS 35 2HD LYS 35 -5.111 7.765 7.673
235 1HE LYS 35 1HE LYS 35 -6.996 8.088 9.169
236 2HE LYS 35 2HE LYS 35 -5.475 8.295 10.036
237 1HZ LYS 35 1HZ LYS 35 -6.701 10.691 8.908
238 2HZ LYS 35 2HZ LYS 35 -7.461 10.002 10.253
239 3HZ LYS 35 3HZ LYS 35 -5.846 10.492 10.353
240 H VAL 36 H VAL 36 0.055 8.848 6.888
241 HA VAL 36 HA VAL 36 1.016 9.586 4.268
242 HB VAL 36 HB VAL 36 2.594 9.172 6.106
243 1HG1 VAL 36 1HG1 VAL 36 1.053 6.767 6.395
244 2HG1 VAL 36 2HG1 VAL 36 2.762 6.383 6.196
245 3HG1 VAL 36 3HG1 VAL 36 2.248 7.471 7.485
246 1HG2 VAL 36 1HG2 VAL 36 2.697 7.630 3.571
247 2HG2 VAL 36 2HG2 VAL 36 3.731 8.940 4.144
248 3HG2 VAL 36 3HG2 VAL 36 3.936 7.310 4.785
249 H GLU 37 H GLU 37 1.036 8.349 2.432
250 HA GLU 37 HA GLU 37 -0.301 5.731 2.549
251 1HB GLU 37 1HB GLU 37 -1.456 6.197 0.459
252 2HB GLU 37 2HB GLU 37 -1.891 7.383 1.680
253 1HG GLU 37 1HG GLU 37 -0.345 8.980 0.676
254 2HG GLU 37 2HG GLU 37 0.083 7.792 -0.552
255 H TYR 38 H TYR 38 0.797 4.152 1.640
256 HA TYR 38 HA TYR 38 3.161 4.808 0.033
257 1HB TYR 38 1HB TYR 38 2.389 2.368 1.622
258 2HB TYR 38 2HB TYR 38 3.714 2.347 0.463
259 HD1 TYR 38 HD1 TYR 38 5.797 2.543 1.399
260 HD2 TYR 38 HD2 TYR 38 2.555 4.614 3.218
261 HE1 TYR 38 HE1 TYR 38 7.328 3.423 3.110
262 HE2 TYR 38 HE2 TYR 38 4.076 5.500 4.933
263 HH TYR 38 HH TYR 38 7.545 4.728 4.891
264 H LEU 39 H LEU 39 3.516 3.930 -1.979
265 HA LEU 39 HA LEU 39 1.144 3.101 -3.415
266 1HB LEU 39 1HB LEU 39 2.699 4.697 -4.432
267 2HB LEU 39 2HB LEU 39 3.992 3.521 -4.336
268 HG LEU 39 HG LEU 39 3.076 2.199 -6.048
269 1HD1 LEU 39 1HD1 LEU 39 0.785 2.162 -5.241
270 2HD1 LEU 39 2HD1 LEU 39 0.553 3.812 -5.825
271 3HD1 LEU 39 3HD1 LEU 39 0.856 2.504 -6.971
272 1HD2 LEU 39 1HD2 LEU 39 4.043 4.417 -6.741
273 2HD2 LEU 39 2HD2 LEU 39 2.966 3.651 -7.910
274 3HD2 LEU 39 3HD2 LEU 39 2.384 4.989 -6.917
275 H LEU 40 H LEU 40 0.810 1.050 -4.343
276 HA LEU 40 HA LEU 40 2.842 -0.982 -3.726
277 1HB LEU 40 1HB LEU 40 -0.105 -1.178 -3.123
278 2HB LEU 40 2HB LEU 40 0.972 -2.559 -3.132
279 HG LEU 40 HG LEU 40 2.335 -1.290 -1.372
280 1HD1 LEU 40 1HD1 LEU 40 0.281 0.613 -1.877
281 2HD1 LEU 40 2HD1 LEU 40 0.192 0.077 -0.200
282 3HD1 LEU 40 3HD1 LEU 40 1.696 0.745 -0.833
283 1HD2 LEU 40 1HD2 LEU 40 0.416 -3.168 -1.151
284 2HD2 LEU 40 2HD2 LEU 40 1.318 -2.520 0.220
285 3HD2 LEU 40 3HD2 LEU 40 -0.283 -1.883 -0.164
286 H LYS 41 H LYS 41 3.269 -2.375 -5.306
287 HA LYS 41 HA LYS 41 1.971 -2.055 -7.850
288 1HB LYS 41 1HB LYS 41 4.404 -2.444 -7.657
289 2HB LYS 41 2HB LYS 41 4.088 -4.037 -6.985
290 1HG LYS 41 1HG LYS 41 4.700 -4.145 -9.346
291 2HG LYS 41 2HG LYS 41 3.064 -4.743 -9.066
292 1HD LYS 41 1HD LYS 41 2.140 -2.622 -9.823
293 2HD LYS 41 2HD LYS 41 3.766 -1.976 -10.048
294 1HE LYS 41 1HE LYS 41 4.205 -3.688 -11.744
295 2HE LYS 41 2HE LYS 41 2.579 -4.329 -11.514
296 1HZ LYS 41 1HZ LYS 41 2.024 -1.786 -12.028
297 2HZ LYS 41 2HZ LYS 41 3.449 -1.943 -12.926
298 3HZ LYS 41 3HZ LYS 41 2.137 -2.967 -13.234
299 H TRP 42 H TRP 42 -0.172 -2.690 -7.018
300 HA TRP 42 HA TRP 42 -0.810 -5.198 -6.033
301 1HB TRP 42 1HB TRP 42 -2.491 -3.381 -7.774
302 2HB TRP 42 2HB TRP 42 -3.106 -4.728 -6.819
303 HD1 TRP 42 HD1 TRP 42 -2.831 -1.119 -6.584
304 HE1 TRP 42 HE1 TRP 42 -2.874 -0.315 -4.141
305 HE3 TRP 42 HE3 TRP 42 -2.009 -5.588 -4.221
306 HZ2 TRP 42 HZ2 TRP 42 -2.589 -1.429 -1.564
307 HZ3 TRP 42 HZ3 TRP 42 -1.914 -5.621 -1.769
308 HH2 TRP 42 HH2 TRP 42 -2.196 -3.577 -0.471
309 H LYS 43 H LYS 43 -0.784 -7.148 -6.828
310 HA LYS 43 HA LYS 43 0.105 -7.743 -9.432
311 1HB LYS 43 1HB LYS 43 0.498 -9.230 -7.534
312 2HB LYS 43 2HB LYS 43 -1.229 -9.510 -7.374
313 1HG LYS 43 1HG LYS 43 -1.253 -10.586 -9.574
314 2HG LYS 43 2HG LYS 43 0.487 -10.321 -9.711
315 1HD LYS 43 1HD LYS 43 0.851 -11.696 -7.717
316 2HD LYS 43 2HD LYS 43 -0.889 -11.957 -7.578
317 1HE LYS 43 1HE LYS 43 0.854 -12.807 -9.890
318 2HE LYS 43 2HE LYS 43 0.224 -13.865 -8.628
319 1HZ LYS 43 1HZ LYS 43 -2.036 -13.229 -9.362
320 2HZ LYS 43 2HZ LYS 43 -1.354 -12.376 -10.653
321 3HZ LYS 43 3HZ LYS 43 -1.156 -14.054 -10.548
322 H GLY 44 H GLY 44 -0.914 -8.463 -11.242
323 1HA GLY 44 1HA GLY 44 -3.740 -9.015 -11.284
324 2HA GLY 44 2HA GLY 44 -2.657 -9.003 -12.667
325 H PHE 45 H PHE 45 -3.335 -6.432 -10.327
326 HA PHE 45 HA PHE 45 -5.037 -4.968 -12.052
327 1HB PHE 45 1HB PHE 45 -3.516 -4.139 -9.578
328 2HB PHE 45 2HB PHE 45 -4.658 -3.097 -10.415
329 HD1 PHE 45 HD1 PHE 45 -6.533 -2.849 -9.120
330 HD2 PHE 45 HD2 PHE 45 -4.784 -6.712 -9.463
331 HE1 PHE 45 HE1 PHE 45 -8.374 -3.795 -7.795
332 HE2 PHE 45 HE2 PHE 45 -6.626 -7.666 -8.142
333 HZ PHE 45 HZ PHE 45 -8.425 -6.207 -7.306
334 H SER 46 H SER 46 -4.632 -3.330 -13.449
335 HA SER 46 HA SER 46 -2.182 -3.183 -14.763
336 1HB SER 46 1HB SER 46 -4.391 -1.113 -14.675
337 2HB SER 46 2HB SER 46 -3.090 -1.165 -15.865
338 HG SER 46 HG SER 46 -4.731 -3.413 -15.475
339 H ASP 47 H ASP 47 -0.603 -1.513 -14.883
340 HA ASP 47 HA ASP 47 0.480 -0.694 -12.479
341 1HB ASP 47 1HB ASP 47 1.758 -0.738 -14.569
342 2HB ASP 47 2HB ASP 47 0.808 0.607 -15.193
343 H GLU 48 H GLU 48 -1.600 1.143 -14.690
344 HA GLU 48 HA GLU 48 -1.594 3.548 -13.232
345 1HB GLU 48 1HB GLU 48 -3.710 2.416 -15.072
346 2HB GLU 48 2HB GLU 48 -3.620 4.083 -14.531
347 1HG GLU 48 1HG GLU 48 -1.475 4.343 -15.662
348 2HG GLU 48 2HG GLU 48 -1.558 2.667 -16.202
349 H ASP 49 H ASP 49 -3.485 0.616 -13.005
350 HA ASP 49 HA ASP 49 -5.546 1.535 -11.343
351 1HB ASP 49 1HB ASP 49 -5.502 -0.654 -12.573
352 2HB ASP 49 2HB ASP 49 -4.372 -1.249 -11.361
353 H ASN 50 H ASN 50 -2.229 0.728 -10.644
354 HA ASN 50 HA ASN 50 -2.208 -0.012 -8.033
355 1HB ASN 50 1HB ASN 50 -0.400 1.967 -9.420
356 2HB ASN 50 2HB ASN 50 -0.113 1.414 -7.773
357 1HD2 ASN 50 1HD2 ASN 50 1.081 1.033 -10.634
358 2HD2 ASN 50 2HD2 ASN 50 1.457 -0.653 -10.651
359 H THR 51 H THR 51 -2.614 0.832 -6.080
360 HA THR 51 HA THR 51 -3.410 3.661 -5.931
361 HB THR 51 HB THR 51 -4.868 1.307 -4.713
362 HG1 THR 51 HG1 THR 51 -6.476 1.845 -6.145
363 1HG2 THR 51 1HG2 THR 51 -4.833 4.143 -4.017
364 2HG2 THR 51 2HG2 THR 51 -6.448 3.517 -4.348
365 3HG2 THR 51 3HG2 THR 51 -5.445 2.760 -3.111
366 H TRP 52 H TRP 52 -2.988 4.701 -3.968
367 HA TRP 52 HA TRP 52 -0.930 3.439 -2.355
368 1HB TRP 52 1HB TRP 52 -2.021 6.254 -2.218
369 2HB TRP 52 2HB TRP 52 -0.562 5.651 -1.456
370 HD1 TRP 52 HD1 TRP 52 -1.826 5.626 -5.147
371 HE1 TRP 52 HE1 TRP 52 0.147 6.341 -6.639
372 HE3 TRP 52 HE3 TRP 52 1.693 6.368 -1.534
373 HZ2 TRP 52 HZ2 TRP 52 2.834 7.138 -6.321
374 HZ3 TRP 52 HZ3 TRP 52 3.933 7.099 -2.200
375 HH2 TRP 52 HH2 TRP 52 4.497 7.476 -4.547
376 H GLU 53 H GLU 53 -1.362 2.474 -0.482
377 HA GLU 53 HA GLU 53 -3.933 3.035 0.835
378 1HB GLU 53 1HB GLU 53 -2.121 0.624 1.023
379 2HB GLU 53 2HB GLU 53 -3.580 0.845 1.976
380 1HG GLU 53 1HG GLU 53 -3.933 -0.638 0.074
381 2HG GLU 53 2HG GLU 53 -4.929 0.810 -0.026
382 HA PRO 54 HA PRO 54 -2.051 4.907 4.355
383 1HB PRO 54 1HB PRO 54 -3.683 3.132 6.073
384 2HB PRO 54 2HB PRO 54 -3.624 4.896 6.015
385 1HG PRO 54 1HG PRO 54 -5.707 3.512 5.033
386 2HG PRO 54 2HG PRO 54 -5.151 5.021 4.292
387 1HD PRO 54 1HD PRO 54 -4.767 2.209 3.389
388 2HD PRO 54 2HD PRO 54 -4.978 3.686 2.429
389 H GLU 55 H GLU 55 -0.178 4.503 5.368
390 HA GLU 55 HA GLU 55 1.157 2.083 5.215
391 1HB GLU 55 1HB GLU 55 2.338 4.161 5.609
392 2HB GLU 55 2HB GLU 55 1.547 4.365 7.165
393 1HG GLU 55 1HG GLU 55 2.686 2.369 8.001
394 2HG GLU 55 2HG GLU 55 3.483 2.176 6.441
395 H GLU 56 H GLU 56 -0.858 3.358 7.817
396 HA GLU 56 HA GLU 56 -0.290 1.337 9.707
397 1HB GLU 56 1HB GLU 56 -2.745 3.075 9.405
398 2HB GLU 56 2HB GLU 56 -2.373 2.094 10.817
399 1HG GLU 56 1HG GLU 56 -0.357 3.402 11.208
400 2HG GLU 56 2HG GLU 56 -0.704 4.376 9.780
401 H ASN 57 H ASN 57 -2.852 1.680 7.281
402 HA ASN 57 HA ASN 57 -4.280 -0.645 7.975
403 1HB ASN 57 1HB ASN 57 -4.099 0.832 5.344
404 2HB ASN 57 2HB ASN 57 -5.254 -0.451 5.682
405 1HD2 ASN 57 1HD2 ASN 57 -7.182 0.362 6.018
406 2HD2 ASN 57 2HD2 ASN 57 -7.546 1.791 6.917
407 H LEU 58 H LEU 58 -1.471 -0.151 5.929
408 HA LEU 58 HA LEU 58 -1.501 -2.472 4.428
409 1HB LEU 58 1HB LEU 58 0.967 -1.214 5.617
410 2HB LEU 58 2HB LEU 58 0.898 -2.252 4.208
411 HG LEU 58 HG LEU 58 0.047 0.608 4.477
412 1HD1 LEU 58 1HD1 LEU 58 2.332 -0.532 3.579
413 2HD1 LEU 58 2HD1 LEU 58 1.405 -0.403 2.082
414 3HD1 LEU 58 3HD1 LEU 58 1.724 1.038 3.052
415 1HD2 LEU 58 1HD2 LEU 58 -1.842 -0.584 3.468
416 2HD2 LEU 58 2HD2 LEU 58 -1.040 0.487 2.320
417 3HD2 LEU 58 3HD2 LEU 58 -0.757 -1.253 2.249
418 H ASP 59 H ASP 59 -1.252 -4.555 4.811
419 HA ASP 59 HA ASP 59 -0.350 -5.395 7.484
420 1HB ASP 59 1HB ASP 59 -2.674 -6.061 6.817
421 2HB ASP 59 2HB ASP 59 -1.983 -6.982 5.484
422 H CYS 60 H CYS 60 1.559 -4.633 5.709
423 HA CYS 60 HA CYS 60 2.994 -7.122 5.262
424 1HB CYS 60 1HB CYS 60 3.624 -6.478 2.958
425 2HB CYS 60 2HB CYS 60 1.896 -6.772 3.121
426 HG CYS 60 HG CYS 60 1.102 -4.475 2.282
427 HA PRO 61 HA PRO 61 5.317 -3.393 7.114
428 1HB PRO 61 1HB PRO 61 6.322 -5.715 8.691
429 2HB PRO 61 2HB PRO 61 5.935 -4.076 9.224
430 1HG PRO 61 1HG PRO 61 4.283 -6.097 9.744
431 2HG PRO 61 2HG PRO 61 3.657 -4.497 9.306
432 1HD PRO 61 1HD PRO 61 3.814 -6.985 7.672
433 2HD PRO 61 2HD PRO 61 2.585 -5.704 7.666
434 H ASP 62 H ASP 62 6.167 -6.616 6.017
435 HA ASP 62 HA ASP 62 8.930 -6.373 5.853
436 1HB ASP 62 1HB ASP 62 7.742 -8.495 5.538
437 2HB ASP 62 2HB ASP 62 7.075 -7.905 4.018
438 H LEU 63 H LEU 63 6.466 -5.524 3.420
439 HA LEU 63 HA LEU 63 8.320 -4.722 1.444
440 1HB LEU 63 1HB LEU 63 5.408 -4.086 1.859
441 2HB LEU 63 2HB LEU 63 6.319 -3.513 0.475
442 HG LEU 63 HG LEU 63 6.765 -5.853 -0.184
443 1HD1 LEU 63 1HD1 LEU 63 4.971 -6.500 2.148
444 2HD1 LEU 63 2HD1 LEU 63 5.431 -7.641 0.885
445 3HD1 LEU 63 3HD1 LEU 63 6.662 -6.959 1.947
446 1HD2 LEU 63 1HD2 LEU 63 4.656 -4.417 -0.764
447 2HD2 LEU 63 2HD2 LEU 63 4.761 -6.108 -1.252
448 3HD2 LEU 63 3HD2 LEU 63 3.819 -5.658 0.170
449 H ILE 64 H ILE 64 6.447 -2.888 3.839
450 HA ILE 64 HA ILE 64 7.238 -0.328 3.102
451 HB ILE 64 HB ILE 64 6.714 -1.337 5.904
452 1HG1 ILE 64 1HG1 ILE 64 4.838 -0.074 3.889
453 2HG1 ILE 64 2HG1 ILE 64 4.876 -1.784 4.300
454 1HG2 ILE 64 1HG2 ILE 64 7.853 0.990 5.402
455 2HG2 ILE 64 2HG2 ILE 64 6.192 1.463 5.044
456 3HG2 ILE 64 3HG2 ILE 64 6.604 0.828 6.637
457 1HD1 ILE 64 1HD1 ILE 64 4.284 0.411 6.267
458 2HD1 ILE 64 2HD1 ILE 64 3.058 -0.511 5.396
459 3HD1 ILE 64 3HD1 ILE 64 4.139 -1.328 6.525
460 H ALA 65 H ALA 65 8.836 -2.719 5.142
461 HA ALA 65 HA ALA 65 10.987 -1.046 5.951
462 1HB ALA 65 1HB ALA 65 12.097 -3.281 6.473
463 2HB ALA 65 2HB ALA 65 10.588 -2.922 7.311
464 3HB ALA 65 3HB ALA 65 10.591 -4.026 5.936
465 H GLU 66 H GLU 66 10.465 -3.272 3.271
466 HA GLU 66 HA GLU 66 13.081 -3.365 2.271
467 1HB GLU 66 1HB GLU 66 10.405 -3.667 0.903
468 2HB GLU 66 2HB GLU 66 11.934 -3.904 0.067
469 1HG GLU 66 1HG GLU 66 10.970 -5.460 2.456
470 2HG GLU 66 2HG GLU 66 10.968 -6.015 0.784
471 H PHE 67 H PHE 67 10.431 -1.115 1.608
472 HA PHE 67 HA PHE 67 11.572 0.313 -0.482
473 1HB PHE 67 1HB PHE 67 9.268 0.604 0.098
474 2HB PHE 67 2HB PHE 67 9.676 1.194 1.699
475 HD1 PHE 67 HD1 PHE 67 10.605 2.052 -1.822
476 HD2 PHE 67 HD2 PHE 67 9.310 3.410 1.995
477 HE1 PHE 67 HE1 PHE 67 10.546 4.361 -2.668
478 HE2 PHE 67 HE2 PHE 67 9.252 5.717 1.167
479 HZ PHE 67 HZ PHE 67 9.870 6.201 -1.171
480 H LEU 68 H LEU 68 11.710 1.105 3.010
481 HA LEU 68 HA LEU 68 13.479 3.287 2.678
482 1HB LEU 68 1HB LEU 68 12.801 1.575 5.067
483 2HB LEU 68 2HB LEU 68 13.816 3.002 5.155
484 HG LEU 68 HG LEU 68 11.960 4.407 4.453
485 1HD1 LEU 68 1HD1 LEU 68 10.842 2.770 2.999
486 2HD1 LEU 68 2HD1 LEU 68 10.283 1.915 4.438
487 3HD1 LEU 68 3HD1 LEU 68 9.736 3.562 4.123
488 1HD2 LEU 68 1HD2 LEU 68 12.256 3.883 6.838
489 2HD2 LEU 68 2HD2 LEU 68 10.573 4.202 6.411
490 3HD2 LEU 68 3HD2 LEU 68 11.124 2.544 6.654
491 H GLN 69 H GLN 69 13.881 -0.125 3.313
492 HA GLN 69 HA GLN 69 16.583 -0.233 3.965
493 1HB GLN 69 1HB GLN 69 15.094 -2.162 4.131
494 2HB GLN 69 2HB GLN 69 14.891 -2.184 2.386
495 1HG GLN 69 1HG GLN 69 16.397 -3.915 2.977
496 2HG GLN 69 2HG GLN 69 17.316 -2.645 2.171
497 1HE2 GLN 69 1HE2 GLN 69 17.401 -4.755 4.641
498 2HE2 GLN 69 2HE2 GLN 69 18.478 -3.933 5.712
499 H SER 70 H SER 70 14.941 -0.010 0.882
500 HA SER 70 HA SER 70 17.168 -0.418 -0.805
501 1HB SER 70 1HB SER 70 14.600 1.113 -1.300
502 2HB SER 70 2HB SER 70 15.740 0.605 -2.549
503 HG SER 70 HG SER 70 13.786 -0.815 -1.330
504 H GLN 71 H GLN 71 15.609 2.515 0.433
505 HA GLN 71 HA GLN 71 17.449 4.279 -0.868
506 1HB GLN 71 1HB GLN 71 15.410 4.751 1.307
507 2HB GLN 71 2HB GLN 71 16.307 6.024 0.488
508 1HG GLN 71 1HG GLN 71 15.270 5.539 -1.588
509 2HG GLN 71 2HG GLN 71 14.572 4.047 -0.963
510 1HE2 GLN 71 1HE2 GLN 71 14.185 5.903 1.572
511 2HE2 GLN 71 2HE2 GLN 71 12.659 6.627 1.229
512 H LYS 72 H LYS 72 18.666 2.276 0.949
513 HA LYS 72 HA LYS 72 19.652 3.835 3.181
514 1HB LYS 72 1HB LYS 72 19.340 1.437 3.496
515 2HB LYS 72 2HB LYS 72 20.450 1.095 2.175
516 1HG LYS 72 1HG LYS 72 22.290 2.043 3.434
517 2HG LYS 72 2HG LYS 72 21.193 2.490 4.740
518 1HD LYS 72 1HD LYS 72 21.693 -0.335 3.808
519 2HD LYS 72 2HD LYS 72 22.482 0.419 5.194
520 1HE LYS 72 1HE LYS 72 19.518 -0.026 4.862
521 2HE LYS 72 2HE LYS 72 20.597 -0.963 5.895
522 1HZ LYS 72 1HZ LYS 72 20.292 1.960 6.220
523 2HZ LYS 72 2HZ LYS 72 19.241 0.871 6.977
524 3HZ LYS 72 3HZ LYS 72 20.894 0.834 7.330
525 H THR 73 H THR 73 21.383 5.115 3.132
526 HA THR 73 HA THR 73 23.202 6.248 2.353
527 HB THR 73 HB THR 73 24.042 3.638 1.073
528 HG1 THR 73 HG1 THR 73 24.392 4.501 3.772
529 1HG2 THR 73 1HG2 THR 73 25.263 6.052 0.958
530 2HG2 THR 73 2HG2 THR 73 25.974 5.403 2.436
531 3HG2 THR 73 3HG2 THR 73 26.125 4.513 0.920
532 H ALA 74 H ALA 74 20.811 6.197 0.770
533 HA ALA 74 HA ALA 74 19.995 6.784 -1.267
534 1HB ALA 74 1HB ALA 74 22.637 8.077 -1.073
535 2HB ALA 74 2HB ALA 74 21.906 8.027 -2.677
536 3HB ALA 74 3HB ALA 74 21.041 8.778 -1.337
537 H HIS 75 H HIS 75 20.831 4.127 -1.123
538 HA HIS 75 HA HIS 75 21.020 2.329 -2.497
539 1HB HIS 75 1HB HIS 75 19.740 3.564 -4.161
540 2HB HIS 75 2HB HIS 75 21.199 4.383 -4.709
541 HD1 HIS 75 HD1 HIS 75 20.164 0.732 -4.296
542 HD2 HIS 75 HD2 HIS 75 22.102 3.248 -6.976
543 HE1 HIS 75 HE1 HIS 75 20.802 -0.724 -6.246
544 HE2 HIS 75 HE2 HIS 75 22.003 0.813 -7.840
545 H GLU 76 H GLU 76 23.342 4.932 -3.056
546 HA GLU 76 HA GLU 76 25.382 3.512 -4.276
547 1HB GLU 76 1HB GLU 76 25.385 5.958 -3.981
548 2HB GLU 76 2HB GLU 76 25.647 5.747 -2.256
549 1HG GLU 76 1HG GLU 76 27.714 6.319 -3.369
550 2HG GLU 76 2HG GLU 76 27.799 4.685 -2.713
551 H THR 77 H THR 77 26.978 2.175 -3.612
552 HA THR 77 HA THR 77 27.367 1.671 -0.763
553 HB THR 77 HB THR 77 27.242 -0.783 -1.080
554 HG1 THR 77 HG1 THR 77 27.466 -0.517 -3.489
555 1HG2 THR 77 1HG2 THR 77 25.247 0.788 -0.419
556 2HG2 THR 77 2HG2 THR 77 24.591 0.266 -1.971
557 3HG2 THR 77 3HG2 THR 77 24.968 -0.926 -0.727
558 H ASP 78 H ASP 78 29.071 2.994 -2.492
559 HA ASP 78 HA ASP 78 30.997 1.368 -3.745
560 1HB ASP 78 1HB ASP 78 30.778 3.769 -4.212
561 2HB ASP 78 2HB ASP 78 31.309 4.142 -2.575
562 H LYS 79 H LYS 79 30.814 2.734 -0.485
563 HA LYS 79 HA LYS 79 32.282 0.615 0.672
564 1HB LYS 79 1HB LYS 79 34.133 1.850 -0.493
565 2HB LYS 79 2HB LYS 79 33.779 3.239 0.525
566 1HG LYS 79 1HG LYS 79 35.662 2.041 1.417
567 2HG LYS 79 2HG LYS 79 34.290 1.876 2.515
568 1HD LYS 79 1HD LYS 79 33.812 -0.339 1.554
569 2HD LYS 79 2HD LYS 79 35.217 -0.171 0.499
570 1HE LYS 79 1HE LYS 79 35.753 -1.532 2.444
571 2HE LYS 79 2HE LYS 79 36.670 -0.027 2.461
572 1HZ LYS 79 1HZ LYS 79 34.227 0.316 3.835
573 2HZ LYS 79 2HZ LYS 79 35.041 -1.029 4.462
574 3HZ LYS 79 3HZ LYS 79 35.805 0.479 4.420
575 H SER 80 H SER 80 29.861 1.659 1.271
576 HA SER 80 HA SER 80 28.567 2.443 2.965
577 1HB SER 80 1HB SER 80 31.113 2.087 4.565
578 2HB SER 80 2HB SER 80 29.503 2.311 5.249
579 HG SER 80 HG SER 80 30.405 0.148 3.649
580 H1 ALA 1 H1 ALA 1 -5.419 -19.110 8.037
581 H2 ALA 1 H2 ALA 1 -4.210 -20.038 8.770
582 H3 ALA 1 H3 ALA 1 -5.298 -19.163 9.724
583 HA ALA 1 HA ALA 1 -4.353 -17.141 9.243
584 1HB ALA 1 1HB ALA 1 -2.305 -17.368 10.163
585 2HB ALA 1 2HB ALA 1 -2.819 -19.043 10.363
586 3HB ALA 1 3HB ALA 1 -1.796 -18.591 8.999
587 H ARG 2 H ARG 2 -3.817 -15.701 7.713
588 HA ARG 2 HA ARG 2 -3.752 -16.447 4.995
589 1HB ARG 2 1HB ARG 2 -4.556 -14.258 5.752
590 2HB ARG 2 2HB ARG 2 -2.936 -13.840 6.294
591 1HG ARG 2 1HG ARG 2 -2.134 -13.963 3.986
592 2HG ARG 2 2HG ARG 2 -3.765 -14.368 3.446
593 1HD ARG 2 1HD ARG 2 -2.952 -11.823 4.848
594 2HD ARG 2 2HD ARG 2 -3.255 -11.991 3.120
595 HE ARG 2 HE ARG 2 -5.191 -11.578 5.122
596 1HH1 ARG 2 1HH1 ARG 2 -4.668 -13.428 2.211
597 2HH1 ARG 2 2HH1 ARG 2 -6.353 -13.546 1.832
598 1HH2 ARG 2 1HH2 ARG 2 -7.408 -11.729 4.627
599 2HH2 ARG 2 2HH2 ARG 2 -7.911 -12.580 3.205
600 H THR 3 H THR 3 -1.190 -15.279 7.167
601 HA THR 3 HA THR 3 1.082 -15.255 6.978
602 HB THR 3 HB THR 3 2.119 -17.383 6.307
603 HG1 THR 3 HG1 THR 3 0.368 -19.068 5.807
604 1HG2 THR 3 1HG2 THR 3 -0.360 -17.630 8.009
605 2HG2 THR 3 2HG2 THR 3 0.912 -18.849 7.921
606 3HG2 THR 3 3HG2 THR 3 1.273 -17.242 8.553
607 H GLN 5 H GLN 5 2.566 -11.778 2.294
608 HA GLN 5 HA GLN 5 1.505 -9.534 3.567
609 1HB GLN 5 1HB GLN 5 3.201 -9.865 1.112
610 2HB GLN 5 2HB GLN 5 2.674 -8.273 1.642
611 1HG GLN 5 1HG GLN 5 4.878 -8.687 2.478
612 2HG GLN 5 2HG GLN 5 3.749 -8.687 3.828
613 1HE2 GLN 5 1HE2 GLN 5 6.334 -10.212 2.521
614 2HE2 GLN 5 2HE2 GLN 5 6.179 -11.759 3.275
615 H THR 6 H THR 6 -0.154 -8.270 3.229
616 HA THR 6 HA THR 6 -1.366 -7.902 0.643
617 HB THR 6 HB THR 6 -3.669 -8.510 1.488
618 HG1 THR 6 HG1 THR 6 -2.311 -10.147 3.360
619 1HG2 THR 6 1HG2 THR 6 -2.080 -9.943 0.000
620 2HG2 THR 6 2HG2 THR 6 -1.990 -10.981 1.424
621 3HG2 THR 6 3HG2 THR 6 -3.549 -10.664 0.660
622 H ALA 7 H ALA 7 -2.840 -6.130 0.616
623 HA ALA 7 HA ALA 7 -3.215 -4.661 3.105
624 1HB ALA 7 1HB ALA 7 -1.521 -3.722 0.830
625 2HB ALA 7 2HB ALA 7 -2.415 -2.553 1.804
626 3HB ALA 7 3HB ALA 7 -1.230 -3.614 2.568
627 H ARG 8 H ARG 8 -5.129 -3.680 3.179
628 HA ARG 8 HA ARG 8 -6.907 -3.903 0.920
629 1HB ARG 8 1HB ARG 8 -7.353 -2.722 3.668
630 2HB ARG 8 2HB ARG 8 -8.607 -3.026 2.473
631 1HG ARG 8 1HG ARG 8 -8.203 -5.406 2.601
632 2HG ARG 8 2HG ARG 8 -6.865 -5.142 3.720
633 1HD ARG 8 1HD ARG 8 -9.749 -4.418 4.229
634 2HD ARG 8 2HD ARG 8 -8.920 -5.834 4.876
635 HE ARG 8 HE ARG 8 -8.859 -3.232 5.948
636 1HH1 ARG 8 1HH1 ARG 8 -6.742 -5.932 5.309
637 2HH1 ARG 8 2HH1 ARG 8 -5.651 -5.542 6.596
638 1HH2 ARG 8 1HH2 ARG 8 -7.427 -2.722 7.644
639 2HH2 ARG 8 2HH2 ARG 8 -6.039 -3.721 7.919
640 H SER 10 H SER 10 -9.125 -0.289 1.215
641 HA SER 10 HA SER 10 -8.291 1.510 3.169
642 1HB SER 10 1HB SER 10 -9.683 3.471 2.722
643 2HB SER 10 2HB SER 10 -8.562 3.212 1.387
644 HG SER 10 HG SER 10 -10.590 1.873 0.641
645 H THR 11 H THR 11 -9.576 1.277 4.938
646 HA THR 11 HA THR 11 -11.423 -0.761 5.104
647 HB THR 11 HB THR 11 -12.149 0.212 7.249
648 HG1 THR 11 HG1 THR 11 -10.927 2.478 6.148
649 1HG2 THR 11 1HG2 THR 11 -9.790 -0.888 6.743
650 2HG2 THR 11 2HG2 THR 11 -9.217 0.713 7.211
651 3HG2 THR 11 3HG2 THR 11 -10.186 -0.240 8.335
652 H GLY 12 H GLY 12 -13.393 -1.012 4.302
653 1HA GLY 12 1HA GLY 12 -15.445 -0.535 3.386
654 2HA GLY 12 2HA GLY 12 -14.816 1.061 3.007
655 H GLY 13 H GLY 13 -16.430 2.385 3.639
656 1HA GLY 13 1HA GLY 13 -18.089 1.952 5.882
657 2HA GLY 13 2HA GLY 13 -17.903 3.475 5.026
658 H LYS 14 H LYS 14 -17.686 2.157 7.973
659 HA LYS 14 HA LYS 14 -15.224 3.245 8.925
660 1HB LYS 14 1HB LYS 14 -16.215 5.031 10.324
661 2HB LYS 14 2HB LYS 14 -16.372 5.352 8.603
662 1HG LYS 14 1HG LYS 14 -18.697 4.599 8.674
663 2HG LYS 14 2HG LYS 14 -18.537 4.284 10.403
664 1HD LYS 14 1HD LYS 14 -18.046 6.658 10.780
665 2HD LYS 14 2HD LYS 14 -18.224 6.966 9.052
666 1HE LYS 14 1HE LYS 14 -20.553 6.223 9.163
667 2HE LYS 14 2HE LYS 14 -20.373 5.914 10.890
668 1HZ LYS 14 1HZ LYS 14 -19.669 8.586 9.984
669 2HZ LYS 14 2HZ LYS 14 -21.313 8.189 9.909
670 3HZ LYS 14 3HZ LYS 14 -20.486 8.096 11.382
671 H ALA 15 H ALA 15 -16.225 0.748 9.183
672 HA ALA 15 HA ALA 15 -17.820 0.163 11.381
673 1HB ALA 15 1HB ALA 15 -16.108 -1.276 9.599
674 2HB ALA 15 2HB ALA 15 -17.466 -1.868 10.557
675 3HB ALA 15 3HB ALA 15 -15.844 -1.841 11.248
676 HA PRO 16 HA PRO 16 -15.568 1.501 14.949
677 1HB PRO 16 1HB PRO 16 -16.626 -1.007 16.163
678 2HB PRO 16 2HB PRO 16 -16.721 0.657 16.752
679 1HG PRO 16 1HG PRO 16 -18.851 -0.509 15.671
680 2HG PRO 16 2HG PRO 16 -18.486 1.195 15.341
681 1HD PRO 16 1HD PRO 16 -18.084 -1.202 13.604
682 2HD PRO 16 2HD PRO 16 -18.585 0.442 13.160
683 H GLY 17 H GLY 17 -13.539 1.215 15.649
684 1HA GLY 17 1HA GLY 17 -11.855 -0.746 14.579
685 2HA GLY 17 2HA GLY 17 -12.326 -1.271 16.189
686 H GLY 18 H GLY 18 -10.584 -0.960 17.433
687 1HA GLY 18 1HA GLY 18 -8.965 0.153 18.620
688 2HA GLY 18 2HA GLY 18 -9.780 1.644 18.171
No H/Q in entry = 688
Start of MODEL 3
1 H1 HIS 8 H1 HIS 8 -11.542 -16.652 -15.420
2 H2 HIS 8 H2 HIS 8 -12.277 -17.699 -16.527
3 H3 HIS 8 H3 HIS 8 -10.601 -17.753 -16.294
4 HA HIS 8 HA HIS 8 -10.254 -16.229 -17.826
5 1HB HIS 8 1HB HIS 8 -13.272 -16.282 -18.093
6 2HB HIS 8 2HB HIS 8 -12.151 -15.669 -19.304
7 HD1 HIS 8 HD1 HIS 8 -10.218 -17.716 -19.875
8 HD2 HIS 8 HD2 HIS 8 -14.076 -18.762 -18.744
9 HE1 HIS 8 HE1 HIS 8 -10.542 -20.072 -20.695
10 HE2 HIS 8 HE2 HIS 8 -12.863 -20.707 -19.941
11 H MET 9 H MET 9 -12.379 -14.112 -18.516
12 HA MET 9 HA MET 9 -11.279 -12.014 -17.004
13 1HB MET 9 1HB MET 9 -13.847 -12.094 -18.599
14 2HB MET 9 2HB MET 9 -13.077 -10.631 -18.001
15 1HG MET 9 1HG MET 9 -11.124 -11.079 -19.380
16 2HG MET 9 2HG MET 9 -11.866 -12.568 -19.960
17 1HE MET 9 1HE MET 9 -13.169 -9.158 -19.099
18 2HE MET 9 2HE MET 9 -12.185 -8.434 -20.371
19 3HE MET 9 3HE MET 9 -13.933 -8.545 -20.566
20 H VAL 10 H VAL 10 -11.717 -11.286 -15.033
21 HA VAL 10 HA VAL 10 -13.786 -12.515 -13.462
22 HB VAL 10 HB VAL 10 -12.954 -11.138 -11.614
23 1HG1 VAL 10 1HG1 VAL 10 -11.601 -13.171 -12.929
24 2HG1 VAL 10 2HG1 VAL 10 -10.363 -11.956 -12.607
25 3HG1 VAL 10 3HG1 VAL 10 -11.323 -12.613 -11.280
26 1HG2 VAL 10 1HG2 VAL 10 -11.624 -9.696 -13.825
27 2HG2 VAL 10 2HG2 VAL 10 -12.257 -9.093 -12.294
28 3HG2 VAL 10 3HG2 VAL 10 -10.691 -9.902 -12.343
29 H GLU 11 H GLU 11 -15.658 -11.635 -12.706
30 HA GLU 11 HA GLU 11 -16.309 -8.883 -12.833
31 1HB GLU 11 1HB GLU 11 -16.458 -9.331 -15.240
32 2HB GLU 11 2HB GLU 11 -17.584 -10.647 -14.936
33 1HG GLU 11 1HG GLU 11 -19.199 -9.055 -14.027
34 2HG GLU 11 2HG GLU 11 -18.070 -7.738 -14.335
35 H GLU 12 H GLU 12 -17.613 -8.623 -11.164
36 HA GLU 12 HA GLU 12 -20.054 -9.917 -10.770
37 1HB GLU 12 1HB GLU 12 -18.539 -11.859 -10.266
38 2HB GLU 12 2HB GLU 12 -17.897 -10.942 -8.912
39 1HG GLU 12 1HG GLU 12 -20.805 -11.645 -9.197
40 2HG GLU 12 2HG GLU 12 -19.638 -12.659 -8.352
41 H VAL 13 H VAL 13 -17.274 -8.379 -9.273
42 HA VAL 13 HA VAL 13 -17.069 -6.572 -7.909
43 HB VAL 13 HB VAL 13 -20.039 -6.200 -8.324
44 1HG1 VAL 13 1HG1 VAL 13 -17.936 -4.313 -7.271
45 2HG1 VAL 13 2HG1 VAL 13 -19.603 -3.873 -7.645
46 3HG1 VAL 13 3HG1 VAL 13 -19.263 -5.027 -6.354
47 1HG2 VAL 13 1HG2 VAL 13 -18.478 -6.170 -10.363
48 2HG2 VAL 13 2HG2 VAL 13 -19.563 -4.799 -10.132
49 3HG2 VAL 13 3HG2 VAL 13 -17.860 -4.660 -9.693
50 H LEU 14 H LEU 14 -16.744 -6.656 -5.795
51 HA LEU 14 HA LEU 14 -18.718 -7.164 -3.852
52 1HB LEU 14 1HB LEU 14 -18.470 -9.466 -4.822
53 2HB LEU 14 2HB LEU 14 -16.802 -9.458 -4.285
54 HG LEU 14 HG LEU 14 -17.591 -9.230 -1.942
55 1HD1 LEU 14 1HD1 LEU 14 -19.790 -8.189 -2.604
56 2HD1 LEU 14 2HD1 LEU 14 -20.336 -9.813 -3.022
57 3HD1 LEU 14 3HD1 LEU 14 -19.873 -9.439 -1.362
58 1HD2 LEU 14 1HD2 LEU 14 -17.745 -11.504 -3.653
59 2HD2 LEU 14 2HD2 LEU 14 -17.344 -11.433 -1.937
60 3HD2 LEU 14 3HD2 LEU 14 -19.024 -11.611 -2.444
61 H GLU 15 H GLU 15 -17.008 -5.155 -4.001
62 HA GLU 15 HA GLU 15 -14.471 -5.385 -2.906
63 1HB GLU 15 1HB GLU 15 -16.429 -3.107 -2.574
64 2HB GLU 15 2HB GLU 15 -14.696 -3.012 -2.293
65 1HG GLU 15 1HG GLU 15 -15.982 -3.661 -4.936
66 2HG GLU 15 2HG GLU 15 -15.387 -2.072 -4.461
67 H GLU 16 H GLU 16 -17.576 -4.954 -1.242
68 HA GLU 16 HA GLU 16 -18.183 -5.148 0.946
69 1HB GLU 16 1HB GLU 16 -15.850 -7.072 1.027
70 2HB GLU 16 2HB GLU 16 -17.144 -6.979 2.212
71 1HG GLU 16 1HG GLU 16 -18.758 -7.601 0.464
72 2HG GLU 16 2HG GLU 16 -17.426 -7.756 -0.682
73 H GLU 17 H GLU 17 -16.198 -5.859 3.102
74 HA GLU 17 HA GLU 17 -15.348 -3.141 3.643
75 1HB GLU 17 1HB GLU 17 -14.771 -4.033 5.882
76 2HB GLU 17 2HB GLU 17 -16.441 -4.345 5.433
77 1HG GLU 17 1HG GLU 17 -15.846 -6.638 4.829
78 2HG GLU 17 2HG GLU 17 -14.175 -6.322 5.293
79 H GLU 18 H GLU 18 -13.162 -4.294 5.421
80 HA GLU 18 HA GLU 18 -11.009 -3.880 3.627
81 1HB GLU 18 1HB GLU 18 -11.001 -4.954 6.425
82 2HB GLU 18 2HB GLU 18 -9.578 -4.423 5.549
83 1HG GLU 18 1HG GLU 18 -10.499 -2.161 5.439
84 2HG GLU 18 2HG GLU 18 -11.922 -2.701 6.330
85 H GLU 19 H GLU 19 -9.540 -5.308 2.744
86 HA GLU 19 HA GLU 19 -9.842 -8.154 3.286
87 1HB GLU 19 1HB GLU 19 -10.164 -6.944 0.541
88 2HB GLU 19 2HB GLU 19 -9.870 -8.653 0.826
89 1HG GLU 19 1HG GLU 19 -11.953 -8.729 2.174
90 2HG GLU 19 2HG GLU 19 -12.261 -7.057 1.706
91 H GLU 20 H GLU 20 -7.999 -9.279 3.130
92 HA GLU 20 HA GLU 20 -5.542 -7.842 2.933
93 1HB GLU 20 1HB GLU 20 -6.075 -10.801 3.216
94 2HB GLU 20 2HB GLU 20 -4.502 -10.037 3.395
95 1HG GLU 20 1HG GLU 20 -5.347 -8.746 5.293
96 2HG GLU 20 2HG GLU 20 -6.917 -9.530 5.118
97 H TYR 21 H TYR 21 -6.130 -7.198 0.581
98 HA TYR 21 HA TYR 21 -5.870 -9.071 -1.507
99 1HB TYR 21 1HB TYR 21 -5.645 -6.093 -1.324
100 2HB TYR 21 2HB TYR 21 -5.126 -6.899 -2.799
101 HD1 TYR 21 HD1 TYR 21 -6.694 -6.672 -4.459
102 HD2 TYR 21 HD2 TYR 21 -8.037 -7.359 -0.481
103 HE1 TYR 21 HE1 TYR 21 -9.018 -6.729 -5.260
104 HE2 TYR 21 HE2 TYR 21 -10.365 -7.418 -1.273
105 HH TYR 21 HH TYR 21 -11.160 -6.876 -4.690
106 H VAL 22 H VAL 22 -4.153 -9.812 -2.660
107 HA VAL 22 HA VAL 22 -1.658 -10.049 -1.432
108 HB VAL 22 HB VAL 22 -2.316 -10.384 -4.364
109 1HG1 VAL 22 1HG1 VAL 22 0.182 -10.314 -3.197
110 2HG1 VAL 22 2HG1 VAL 22 -0.190 -12.036 -3.272
111 3HG1 VAL 22 3HG1 VAL 22 -0.224 -11.061 -4.742
112 1HG2 VAL 22 1HG2 VAL 22 -2.822 -12.019 -1.984
113 2HG2 VAL 22 2HG2 VAL 22 -3.596 -12.049 -3.570
114 3HG2 VAL 22 3HG2 VAL 22 -2.062 -12.884 -3.322
115 H VAL 23 H VAL 23 0.316 -9.086 -1.734
116 HA VAL 23 HA VAL 23 0.460 -6.727 -3.475
117 HB VAL 23 HB VAL 23 1.414 -6.776 -0.604
118 1HG1 VAL 23 1HG1 VAL 23 2.462 -5.343 -2.687
119 2HG1 VAL 23 2HG1 VAL 23 1.288 -4.216 -2.005
120 3HG1 VAL 23 3HG1 VAL 23 2.558 -4.892 -0.985
121 1HG2 VAL 23 1HG2 VAL 23 -1.149 -6.223 -1.662
122 2HG2 VAL 23 2HG2 VAL 23 -0.583 -6.017 -0.004
123 3HG2 VAL 23 3HG2 VAL 23 -0.444 -4.688 -1.155
124 H GLU 24 H GLU 24 2.208 -6.797 -4.719
125 HA GLU 24 HA GLU 24 4.167 -8.860 -4.350
126 1HB GLU 24 1HB GLU 24 3.345 -8.249 -6.580
127 2HB GLU 24 2HB GLU 24 4.031 -6.640 -6.396
128 1HG GLU 24 1HG GLU 24 6.270 -7.605 -6.279
129 2HG GLU 24 2HG GLU 24 5.583 -9.218 -6.460
130 H LYS 25 H LYS 25 4.260 -5.296 -4.326
131 HA LYS 25 HA LYS 25 6.247 -5.152 -2.323
132 1HB LYS 25 1HB LYS 25 7.785 -5.992 -3.958
133 2HB LYS 25 2HB LYS 25 7.188 -4.874 -5.175
134 1HG LYS 25 1HG LYS 25 9.362 -4.198 -4.301
135 2HG LYS 25 2HG LYS 25 8.117 -2.999 -3.954
136 1HD LYS 25 1HD LYS 25 7.910 -3.917 -1.674
137 2HD LYS 25 2HD LYS 25 9.210 -5.056 -2.036
138 1HE LYS 25 1HE LYS 25 10.747 -3.211 -2.412
139 2HE LYS 25 2HE LYS 25 9.451 -2.051 -2.126
140 1HZ LYS 25 1HZ LYS 25 9.628 -3.834 0.051
141 2HZ LYS 25 2HZ LYS 25 11.157 -3.177 -0.254
142 3HZ LYS 25 3HZ LYS 25 9.840 -2.156 0.036
143 H VAL 26 H VAL 26 6.416 -3.191 -1.499
144 HA VAL 26 HA VAL 26 4.570 -1.205 -2.174
145 HB VAL 26 HB VAL 26 6.829 -1.460 -0.290
146 1HG1 VAL 26 1HG1 VAL 26 7.414 0.614 -1.456
147 2HG1 VAL 26 2HG1 VAL 26 5.809 1.254 -1.090
148 3HG1 VAL 26 3HG1 VAL 26 6.940 0.899 0.218
149 1HG2 VAL 26 1HG2 VAL 26 4.339 -1.781 0.145
150 2HG2 VAL 26 2HG2 VAL 26 5.238 -0.787 1.294
151 3HG2 VAL 26 3HG2 VAL 26 4.227 -0.017 0.065
152 H LEU 27 H LEU 27 4.625 0.447 -3.557
153 HA LEU 27 HA LEU 27 6.929 0.700 -5.293
154 1HB LEU 27 1HB LEU 27 4.206 1.989 -5.419
155 2HB LEU 27 2HB LEU 27 5.465 2.198 -6.620
156 HG LEU 27 HG LEU 27 4.085 -0.403 -5.944
157 1HD1 LEU 27 1HD1 LEU 27 3.469 1.739 -7.780
158 2HD1 LEU 27 2HD1 LEU 27 3.733 0.215 -8.628
159 3HD1 LEU 27 3HD1 LEU 27 2.523 0.316 -7.348
160 1HD2 LEU 27 1HD2 LEU 27 6.589 0.155 -7.261
161 2HD2 LEU 27 2HD2 LEU 27 5.868 -1.395 -6.828
162 3HD2 LEU 27 3HD2 LEU 27 5.454 -0.627 -8.361
163 H ASP 28 H ASP 28 5.152 2.645 -2.907
164 HA ASP 28 HA ASP 28 7.440 4.183 -2.288
165 1HB ASP 28 1HB ASP 28 6.765 5.056 -4.622
166 2HB ASP 28 2HB ASP 28 5.415 5.824 -3.796
167 H ARG 29 H ARG 29 6.121 6.640 -1.599
168 HA ARG 29 HA ARG 29 3.780 6.178 -0.064
169 1HB ARG 29 1HB ARG 29 4.703 6.323 2.165
170 2HB ARG 29 2HB ARG 29 5.430 4.954 1.335
171 1HG ARG 29 1HG ARG 29 7.455 6.178 0.960
172 2HG ARG 29 2HG ARG 29 6.729 7.656 1.593
173 1HD ARG 29 1HD ARG 29 6.464 6.542 3.783
174 2HD ARG 29 2HD ARG 29 7.290 5.126 3.134
175 HE ARG 29 HE ARG 29 8.945 7.321 2.716
176 1HH1 ARG 29 1HH1 ARG 29 7.611 5.531 5.391
177 2HH1 ARG 29 2HH1 ARG 29 8.940 5.874 6.449
178 1HH2 ARG 29 1HH2 ARG 29 10.697 7.778 4.100
179 2HH2 ARG 29 2HH2 ARG 29 10.694 7.151 5.715
180 H ARG 30 H ARG 30 2.913 8.102 0.727
181 HA ARG 30 HA ARG 30 4.518 10.502 0.791
182 1HB ARG 30 1HB ARG 30 3.134 11.728 -0.839
183 2HB ARG 30 2HB ARG 30 4.001 10.390 -1.582
184 1HG ARG 30 1HG ARG 30 1.928 9.034 -1.416
185 2HG ARG 30 2HG ARG 30 1.088 10.473 -0.835
186 1HD ARG 30 1HD ARG 30 1.727 11.633 -2.928
187 2HD ARG 30 2HD ARG 30 2.447 10.128 -3.503
188 HE ARG 30 HE ARG 30 -0.196 9.597 -2.783
189 1HH1 ARG 30 1HH1 ARG 30 1.567 11.442 -5.154
190 2HH1 ARG 30 2HH1 ARG 30 0.329 11.324 -6.358
191 1HH2 ARG 30 1HH2 ARG 30 -1.835 9.434 -4.361
192 2HH2 ARG 30 2HH2 ARG 30 -1.607 10.182 -5.907
193 H VAL 31 H VAL 31 3.803 11.829 2.343
194 HA VAL 31 HA VAL 31 1.486 11.130 3.867
195 HB VAL 31 HB VAL 31 3.280 13.556 4.064
196 1HG1 VAL 31 1HG1 VAL 31 0.863 12.733 5.538
197 2HG1 VAL 31 2HG1 VAL 31 2.224 13.258 6.529
198 3HG1 VAL 31 3HG1 VAL 31 1.560 14.336 5.302
199 1HG2 VAL 31 1HG2 VAL 31 3.258 10.932 5.549
200 2HG2 VAL 31 2HG2 VAL 31 4.519 11.540 4.477
201 3HG2 VAL 31 3HG2 VAL 31 4.216 12.336 6.022
202 H VAL 32 H VAL 32 -0.511 12.020 3.890
203 HA VAL 32 HA VAL 32 -1.180 13.830 1.710
204 HB VAL 32 HB VAL 32 -3.017 12.528 3.725
205 1HG1 VAL 32 1HG1 VAL 32 -3.438 14.502 1.693
206 2HG1 VAL 32 2HG1 VAL 32 -4.317 13.029 1.286
207 3HG1 VAL 32 3HG1 VAL 32 -4.590 13.818 2.839
208 1HG2 VAL 32 1HG2 VAL 32 -1.653 11.463 1.388
209 2HG2 VAL 32 2HG2 VAL 32 -2.530 10.624 2.667
210 3HG2 VAL 32 3HG2 VAL 32 -3.406 11.292 1.290
211 H LYS 33 H LYS 33 -1.342 13.712 5.230
212 HA LYS 33 HA LYS 33 -0.995 16.508 5.529
213 1HB LYS 33 1HB LYS 33 -3.189 17.043 6.519
214 2HB LYS 33 2HB LYS 33 -3.329 16.601 4.825
215 1HG LYS 33 1HG LYS 33 -4.019 14.332 5.508
216 2HG LYS 33 2HG LYS 33 -3.961 14.851 7.192
217 1HD LYS 33 1HD LYS 33 -5.711 16.059 5.050
218 2HD LYS 33 2HD LYS 33 -6.245 14.902 6.271
219 1HE LYS 33 1HE LYS 33 -5.655 16.493 8.034
220 2HE LYS 33 2HE LYS 33 -5.112 17.646 6.815
221 1HZ LYS 33 1HZ LYS 33 -7.885 16.613 7.089
222 2HZ LYS 33 2HZ LYS 33 -7.352 18.136 7.597
223 3HZ LYS 33 3HZ LYS 33 -7.356 17.750 5.951
224 H GLY 34 H GLY 34 -1.402 13.348 6.636
225 1HA GLY 34 1HA GLY 34 -1.702 13.466 9.354
226 2HA GLY 34 2HA GLY 34 -0.015 13.883 9.084
227 H LYS 35 H LYS 35 -1.923 11.636 7.148
228 HA LYS 35 HA LYS 35 -0.660 9.330 8.377
229 1HB LYS 35 1HB LYS 35 -2.660 9.552 6.122
230 2HB LYS 35 2HB LYS 35 -2.097 8.049 6.822
231 1HG LYS 35 1HG LYS 35 -4.195 8.458 7.789
232 2HG LYS 35 2HG LYS 35 -3.011 8.875 9.028
233 1HD LYS 35 1HD LYS 35 -4.763 10.552 8.947
234 2HD LYS 35 2HD LYS 35 -3.232 11.248 8.413
235 1HE LYS 35 1HE LYS 35 -5.059 11.972 6.974
236 2HE LYS 35 2HE LYS 35 -3.918 10.968 6.081
237 1HZ LYS 35 1HZ LYS 35 -5.423 9.088 6.374
238 2HZ LYS 35 2HZ LYS 35 -6.524 10.075 7.194
239 3HZ LYS 35 3HZ LYS 35 -6.184 10.360 5.560
240 H VAL 36 H VAL 36 -0.571 7.695 6.066
241 HA VAL 36 HA VAL 36 1.286 8.969 4.218
242 HB VAL 36 HB VAL 36 2.233 6.390 5.378
243 1HG1 VAL 36 1HG1 VAL 36 3.154 7.725 3.343
244 2HG1 VAL 36 2HG1 VAL 36 3.948 8.694 4.585
245 3HG1 VAL 36 3HG1 VAL 36 4.266 6.963 4.481
246 1HG2 VAL 36 1HG2 VAL 36 1.850 8.590 7.055
247 2HG2 VAL 36 2HG2 VAL 36 2.807 7.145 7.375
248 3HG2 VAL 36 3HG2 VAL 36 3.572 8.575 6.677
249 H GLU 37 H GLU 37 0.350 8.426 2.329
250 HA GLU 37 HA GLU 37 -0.911 5.816 2.041
251 1HB GLU 37 1HB GLU 37 -1.685 6.652 -0.133
252 2HB GLU 37 2HB GLU 37 -2.100 7.762 1.164
253 1HG GLU 37 1HG GLU 37 -0.069 9.088 0.540
254 2HG GLU 37 2HG GLU 37 0.081 8.054 -0.878
255 H TYR 38 H TYR 38 0.077 4.112 1.159
256 HA TYR 38 HA TYR 38 2.657 4.560 -0.175
257 1HB TYR 38 1HB TYR 38 1.561 2.175 1.301
258 2HB TYR 38 2HB TYR 38 2.994 2.077 0.287
259 HD1 TYR 38 HD1 TYR 38 4.985 2.138 1.411
260 HD2 TYR 38 HD2 TYR 38 1.698 4.330 2.990
261 HE1 TYR 38 HE1 TYR 38 6.379 2.847 3.307
262 HE2 TYR 38 HE2 TYR 38 3.084 5.047 4.889
263 HH TYR 38 HH TYR 38 5.076 4.346 6.086
264 H LEU 39 H LEU 39 2.950 4.066 -2.230
265 HA LEU 39 HA LEU 39 0.757 3.181 -3.838
266 1HB LEU 39 1HB LEU 39 2.575 4.775 -4.571
267 2HB LEU 39 2HB LEU 39 3.667 3.405 -4.614
268 HG LEU 39 HG LEU 39 2.329 2.354 -6.360
269 1HD1 LEU 39 1HD1 LEU 39 0.313 4.040 -5.439
270 2HD1 LEU 39 2HD1 LEU 39 0.688 4.603 -7.067
271 3HD1 LEU 39 3HD1 LEU 39 0.233 2.920 -6.798
272 1HD2 LEU 39 1HD2 LEU 39 3.265 5.165 -6.785
273 2HD2 LEU 39 2HD2 LEU 39 4.047 3.652 -7.246
274 3HD2 LEU 39 3HD2 LEU 39 2.615 4.204 -8.114
275 H LEU 40 H LEU 40 0.542 1.143 -4.890
276 HA LEU 40 HA LEU 40 2.487 -0.913 -4.150
277 1HB LEU 40 1HB LEU 40 -0.463 -1.090 -3.551
278 2HB LEU 40 2HB LEU 40 0.659 -2.431 -3.425
279 HG LEU 40 HG LEU 40 0.924 0.113 -1.822
280 1HD1 LEU 40 1HD1 LEU 40 -0.273 -2.529 -1.012
281 2HD1 LEU 40 2HD1 LEU 40 0.051 -1.166 0.059
282 3HD1 LEU 40 3HD1 LEU 40 -1.149 -1.012 -1.225
283 1HD2 LEU 40 1HD2 LEU 40 2.683 -2.022 -2.307
284 2HD2 LEU 40 2HD2 LEU 40 2.852 -0.719 -1.128
285 3HD2 LEU 40 3HD2 LEU 40 2.069 -2.233 -0.665
286 H LYS 41 H LYS 41 2.857 -2.364 -5.680
287 HA LYS 41 HA LYS 41 1.448 -2.149 -8.199
288 1HB LYS 41 1HB LYS 41 3.918 -2.371 -8.108
289 2HB LYS 41 2HB LYS 41 3.733 -3.964 -7.388
290 1HG LYS 41 1HG LYS 41 4.217 -4.232 -9.708
291 2HG LYS 41 2HG LYS 41 2.537 -4.693 -9.438
292 1HD LYS 41 1HD LYS 41 2.687 -3.375 -11.452
293 2HD LYS 41 2HD LYS 41 1.838 -2.447 -10.214
294 1HE LYS 41 1HE LYS 41 3.880 -1.210 -9.724
295 2HE LYS 41 2HE LYS 41 4.758 -2.160 -10.922
296 1HZ LYS 41 1HZ LYS 41 2.850 -1.258 -12.462
297 2HZ LYS 41 2HZ LYS 41 2.805 -0.018 -11.313
298 3HZ LYS 41 3HZ LYS 41 4.236 -0.340 -12.155
299 H TRP 42 H TRP 42 -0.556 -2.915 -6.940
300 HA TRP 42 HA TRP 42 -0.959 -5.416 -5.924
301 1HB TRP 42 1HB TRP 42 -2.939 -4.039 -7.744
302 2HB TRP 42 2HB TRP 42 -3.292 -5.176 -6.446
303 HD1 TRP 42 HD1 TRP 42 -2.562 -1.519 -7.103
304 HE1 TRP 42 HE1 TRP 42 -2.887 -0.185 -4.927
305 HE3 TRP 42 HE3 TRP 42 -3.083 -5.413 -3.829
306 HZ2 TRP 42 HZ2 TRP 42 -3.301 -0.711 -2.188
307 HZ3 TRP 42 HZ3 TRP 42 -3.437 -4.910 -1.447
308 HH2 TRP 42 HH2 TRP 42 -3.540 -2.604 -0.644
309 H LYS 43 H LYS 43 -1.087 -7.443 -6.650
310 HA LYS 43 HA LYS 43 -0.101 -8.131 -9.188
311 1HB LYS 43 1HB LYS 43 0.108 -9.629 -7.278
312 2HB LYS 43 2HB LYS 43 -1.639 -9.789 -7.180
313 1HG LYS 43 1HG LYS 43 -1.654 -10.887 -9.371
314 2HG LYS 43 2HG LYS 43 0.103 -10.743 -9.444
315 1HD LYS 43 1HD LYS 43 0.310 -12.130 -7.448
316 2HD LYS 43 2HD LYS 43 -1.446 -12.248 -7.334
317 1HE LYS 43 1HE LYS 43 -0.510 -14.255 -8.346
318 2HE LYS 43 2HE LYS 43 -1.507 -13.378 -9.506
319 1HZ LYS 43 1HZ LYS 43 1.037 -12.383 -9.825
320 2HZ LYS 43 2HZ LYS 43 1.249 -14.052 -9.658
321 3HZ LYS 43 3HZ LYS 43 0.228 -13.446 -10.864
322 H GLY 44 H GLY 44 -1.042 -8.790 -11.053
323 1HA GLY 44 1HA GLY 44 -3.894 -9.160 -11.261
324 2HA GLY 44 2HA GLY 44 -2.730 -9.236 -12.577
325 H PHE 45 H PHE 45 -3.190 -6.573 -10.310
326 HA PHE 45 HA PHE 45 -4.743 -5.001 -12.091
327 1HB PHE 45 1HB PHE 45 -3.245 -4.307 -9.568
328 2HB PHE 45 2HB PHE 45 -4.202 -3.136 -10.468
329 HD1 PHE 45 HD1 PHE 45 -4.745 -6.672 -9.369
330 HD2 PHE 45 HD2 PHE 45 -6.178 -2.666 -9.431
331 HE1 PHE 45 HE1 PHE 45 -6.764 -7.380 -8.158
332 HE2 PHE 45 HE2 PHE 45 -8.201 -3.367 -8.220
333 HZ PHE 45 HZ PHE 45 -8.496 -5.727 -7.580
334 H SER 46 H SER 46 -4.155 -3.571 -13.605
335 HA SER 46 HA SER 46 -1.511 -3.560 -14.602
336 1HB SER 46 1HB SER 46 -3.445 -3.194 -16.061
337 2HB SER 46 2HB SER 46 -3.812 -1.689 -15.217
338 HG SER 46 HG SER 46 -2.414 -0.739 -16.447
339 H ASP 47 H ASP 47 -0.204 -1.582 -14.953
340 HA ASP 47 HA ASP 47 0.647 -0.440 -12.597
341 1HB ASP 47 1HB ASP 47 1.926 -0.439 -14.722
342 2HB ASP 47 2HB ASP 47 0.843 0.797 -15.354
343 H GLU 48 H GLU 48 -1.700 0.841 -14.923
344 HA GLU 48 HA GLU 48 -2.078 3.342 -13.700
345 1HB GLU 48 1HB GLU 48 -4.182 3.407 -14.991
346 2HB GLU 48 2HB GLU 48 -2.807 2.925 -15.971
347 1HG GLU 48 1HG GLU 48 -3.495 0.590 -15.787
348 2HG GLU 48 2HG GLU 48 -4.874 1.075 -14.803
349 H ASP 49 H ASP 49 -3.554 0.196 -13.163
350 HA ASP 49 HA ASP 49 -5.697 0.964 -11.556
351 1HB ASP 49 1HB ASP 49 -4.070 -1.580 -11.552
352 2HB ASP 49 2HB ASP 49 -5.581 -1.372 -10.677
353 H ASN 50 H ASN 50 -2.299 0.639 -10.794
354 HA ASN 50 HA ASN 50 -2.285 0.297 -8.078
355 1HB ASN 50 1HB ASN 50 -0.531 2.176 -9.672
356 2HB ASN 50 2HB ASN 50 -0.207 1.657 -8.023
357 1HD2 ASN 50 1HD2 ASN 50 0.987 1.253 -10.850
358 2HD2 ASN 50 2HD2 ASN 50 1.369 -0.431 -10.861
359 H THR 51 H THR 51 -2.423 1.597 -6.263
360 HA THR 51 HA THR 51 -3.132 4.392 -6.519
361 HB THR 51 HB THR 51 -5.317 3.271 -6.812
362 HG1 THR 51 HG1 THR 51 -4.708 4.925 -4.647
363 1HG2 THR 51 1HG2 THR 51 -4.438 1.398 -5.076
364 2HG2 THR 51 2HG2 THR 51 -5.413 2.393 -3.992
365 3HG2 THR 51 3HG2 THR 51 -6.143 1.676 -5.430
366 H TRP 52 H TRP 52 -2.871 5.550 -4.614
367 HA TRP 52 HA TRP 52 -1.271 4.224 -2.593
368 1HB TRP 52 1HB TRP 52 -2.020 7.143 -2.725
369 2HB TRP 52 2HB TRP 52 -0.680 6.410 -1.868
370 HD1 TRP 52 HD1 TRP 52 -1.758 6.497 -5.616
371 HE1 TRP 52 HE1 TRP 52 0.353 6.955 -7.016
372 HE3 TRP 52 HE3 TRP 52 1.666 6.774 -1.846
373 HZ2 TRP 52 HZ2 TRP 52 3.106 7.391 -6.574
374 HZ3 TRP 52 HZ3 TRP 52 4.007 7.213 -2.409
375 HH2 TRP 52 HH2 TRP 52 4.722 7.516 -4.727
376 H GLU 53 H GLU 53 -1.816 4.119 -0.401
377 HA GLU 53 HA GLU 53 -4.365 5.180 0.496
378 1HB GLU 53 1HB GLU 53 -5.082 2.933 1.371
379 2HB GLU 53 2HB GLU 53 -5.148 3.107 -0.376
380 1HG GLU 53 1HG GLU 53 -2.764 1.902 0.958
381 2HG GLU 53 2HG GLU 53 -4.204 0.944 0.616
382 HA PRO 54 HA PRO 54 -2.433 5.851 4.383
383 1HB PRO 54 1HB PRO 54 -4.372 4.644 6.032
384 2HB PRO 54 2HB PRO 54 -4.304 6.342 5.555
385 1HG PRO 54 1HG PRO 54 -5.899 4.107 4.398
386 2HG PRO 54 2HG PRO 54 -6.325 5.818 4.579
387 1HD PRO 54 1HD PRO 54 -5.650 4.825 2.199
388 2HD PRO 54 2HD PRO 54 -5.104 6.443 2.691
389 H GLU 55 H GLU 55 -0.912 4.821 5.491
390 HA GLU 55 HA GLU 55 -0.269 2.147 5.033
391 1HB GLU 55 1HB GLU 55 1.508 2.459 6.573
392 2HB GLU 55 2HB GLU 55 1.268 4.022 5.812
393 1HG GLU 55 1HG GLU 55 0.123 3.278 8.491
394 2HG GLU 55 2HG GLU 55 1.672 4.085 8.272
395 H GLU 56 H GLU 56 -2.166 3.645 7.589
396 HA GLU 56 HA GLU 56 -2.221 1.812 9.568
397 1HB GLU 56 1HB GLU 56 -3.559 4.027 9.174
398 2HB GLU 56 2HB GLU 56 -4.811 2.942 8.582
399 1HG GLU 56 1HG GLU 56 -4.747 1.742 10.715
400 2HG GLU 56 2HG GLU 56 -3.537 2.886 11.292
401 H ASN 57 H ASN 57 -4.289 1.728 6.668
402 HA ASN 57 HA ASN 57 -5.500 -0.758 7.298
403 1HB ASN 57 1HB ASN 57 -5.204 0.682 4.655
404 2HB ASN 57 2HB ASN 57 -6.223 -0.732 4.910
405 1HD2 ASN 57 1HD2 ASN 57 -6.268 2.507 4.658
406 2HD2 ASN 57 2HD2 ASN 57 -7.680 2.870 5.583
407 H LEU 58 H LEU 58 -2.705 0.172 5.387
408 HA LEU 58 HA LEU 58 -2.198 -2.242 4.105
409 1HB LEU 58 1HB LEU 58 -0.061 -0.360 5.075
410 2HB LEU 58 2HB LEU 58 -0.021 -1.403 3.664
411 HG LEU 58 HG LEU 58 -1.594 1.134 4.044
412 1HD1 LEU 58 1HD1 LEU 58 0.673 0.255 2.325
413 2HD1 LEU 58 2HD1 LEU 58 -0.439 1.494 1.738
414 3HD1 LEU 58 3HD1 LEU 58 0.460 1.752 3.235
415 1HD2 LEU 58 1HD2 LEU 58 -2.291 -1.187 2.487
416 2HD2 LEU 58 2HD2 LEU 58 -3.204 0.292 2.787
417 3HD2 LEU 58 3HD2 LEU 58 -2.040 0.227 1.465
418 H ASP 59 H ASP 59 -1.518 -4.141 4.733
419 HA ASP 59 HA ASP 59 -0.356 -4.425 7.424
420 1HB ASP 59 1HB ASP 59 -2.538 -5.574 7.080
421 2HB ASP 59 2HB ASP 59 -1.817 -6.505 5.771
422 H CYS 60 H CYS 60 1.331 -3.607 5.477
423 HA CYS 60 HA CYS 60 2.868 -6.034 4.825
424 1HB CYS 60 1HB CYS 60 3.728 -4.833 2.845
425 2HB CYS 60 2HB CYS 60 1.981 -5.036 2.793
426 HG CYS 60 HG CYS 60 2.872 -2.145 4.181
427 HA PRO 61 HA PRO 61 5.292 -2.982 7.575
428 1HB PRO 61 1HB PRO 61 6.030 -4.925 9.388
429 2HB PRO 61 2HB PRO 61 4.658 -3.833 9.596
430 1HG PRO 61 1HG PRO 61 4.703 -6.658 8.620
431 2HG PRO 61 2HG PRO 61 3.545 -5.863 9.705
432 1HD PRO 61 1HD PRO 61 2.970 -6.308 7.122
433 2HD PRO 61 2HD PRO 61 2.417 -4.841 7.957
434 H ASP 62 H ASP 62 5.834 -6.327 6.573
435 HA ASP 62 HA ASP 62 8.646 -6.290 6.707
436 1HB ASP 62 1HB ASP 62 7.391 -8.378 6.590
437 2HB ASP 62 2HB ASP 62 6.814 -7.963 4.978
438 H LEU 63 H LEU 63 6.435 -5.720 3.955
439 HA LEU 63 HA LEU 63 8.510 -5.252 2.091
440 1HB LEU 63 1HB LEU 63 5.656 -4.282 2.013
441 2HB LEU 63 2HB LEU 63 6.769 -4.283 0.660
442 HG LEU 63 HG LEU 63 5.477 -6.641 2.007
443 1HD1 LEU 63 1HD1 LEU 63 4.225 -5.523 0.244
444 2HD1 LEU 63 2HD1 LEU 63 5.596 -5.698 -0.851
445 3HD1 LEU 63 3HD1 LEU 63 4.744 -7.129 -0.269
446 1HD2 LEU 63 1HD2 LEU 63 7.988 -6.535 0.404
447 2HD2 LEU 63 2HD2 LEU 63 7.564 -7.563 1.773
448 3HD2 LEU 63 3HD2 LEU 63 6.884 -7.893 0.179
449 H ILE 64 H ILE 64 6.593 -3.089 4.139
450 HA ILE 64 HA ILE 64 7.471 -0.647 3.133
451 HB ILE 64 HB ILE 64 6.783 -1.359 5.991
452 1HG1 ILE 64 1HG1 ILE 64 5.135 -0.052 3.813
453 2HG1 ILE 64 2HG1 ILE 64 4.977 -1.726 4.334
454 1HG2 ILE 64 1HG2 ILE 64 7.056 1.351 4.693
455 2HG2 ILE 64 2HG2 ILE 64 6.432 1.053 6.314
456 3HG2 ILE 64 3HG2 ILE 64 8.111 0.672 5.932
457 1HD1 ILE 64 1HD1 ILE 64 4.417 -0.859 6.615
458 2HD1 ILE 64 2HD1 ILE 64 4.353 0.755 5.907
459 3HD1 ILE 64 3HD1 ILE 64 3.236 -0.494 5.357
460 H ALA 65 H ALA 65 8.929 -2.791 5.533
461 HA ALA 65 HA ALA 65 11.075 -1.120 6.269
462 1HB ALA 65 1HB ALA 65 12.162 -3.294 6.965
463 2HB ALA 65 2HB ALA 65 10.580 -2.968 7.671
464 3HB ALA 65 3HB ALA 65 10.731 -4.112 6.337
465 H GLU 66 H GLU 66 10.772 -3.662 3.819
466 HA GLU 66 HA GLU 66 13.407 -3.587 2.857
467 1HB GLU 66 1HB GLU 66 10.840 -4.295 1.411
468 2HB GLU 66 2HB GLU 66 12.460 -4.642 0.816
469 1HG GLU 66 1HG GLU 66 12.864 -6.067 2.762
470 2HG GLU 66 2HG GLU 66 11.235 -5.727 3.341
471 H PHE 67 H PHE 67 10.556 -1.705 2.057
472 HA PHE 67 HA PHE 67 11.516 -0.397 -0.231
473 1HB PHE 67 1HB PHE 67 9.190 -0.312 0.219
474 2HB PHE 67 2HB PHE 67 9.448 0.316 1.842
475 HD1 PHE 67 HD1 PHE 67 10.330 1.287 -1.660
476 HD2 PHE 67 HD2 PHE 67 8.895 2.494 2.158
477 HE1 PHE 67 HE1 PHE 67 10.047 3.583 -2.497
478 HE2 PHE 67 HE2 PHE 67 8.608 4.790 1.335
479 HZ PHE 67 HZ PHE 67 9.185 5.340 -1.000
480 H LEU 68 H LEU 68 11.527 0.606 3.182
481 HA LEU 68 HA LEU 68 12.795 3.080 2.770
482 1HB LEU 68 1HB LEU 68 12.843 1.373 5.252
483 2HB LEU 68 2HB LEU 68 13.138 3.101 5.165
484 HG LEU 68 HG LEU 68 10.519 1.717 4.584
485 1HD1 LEU 68 1HD1 LEU 68 11.549 3.302 6.906
486 2HD1 LEU 68 2HD1 LEU 68 9.824 3.159 6.568
487 3HD1 LEU 68 3HD1 LEU 68 10.782 1.715 6.898
488 1HD2 LEU 68 1HD2 LEU 68 11.145 3.830 3.244
489 2HD2 LEU 68 2HD2 LEU 68 9.580 3.771 4.058
490 3HD2 LEU 68 3HD2 LEU 68 10.913 4.678 4.773
491 H GLN 69 H GLN 69 14.084 -0.152 3.295
492 HA GLN 69 HA GLN 69 16.697 0.418 3.978
493 1HB GLN 69 1HB GLN 69 15.635 -1.782 2.201
494 2HB GLN 69 2HB GLN 69 17.287 -1.723 2.801
495 1HG GLN 69 1HG GLN 69 16.444 -1.798 5.100
496 2HG GLN 69 2HG GLN 69 14.797 -1.893 4.483
497 1HE2 GLN 69 1HE2 GLN 69 14.005 -3.860 4.541
498 2HE2 GLN 69 2HE2 GLN 69 14.887 -5.327 4.312
499 H SER 70 H SER 70 15.154 0.594 0.827
500 HA SER 70 HA SER 70 17.392 0.813 -0.813
501 1HB SER 70 1HB SER 70 15.081 0.621 -1.668
502 2HB SER 70 2HB SER 70 14.741 2.257 -1.100
503 HG SER 70 HG SER 70 16.533 1.451 -3.140
504 H GLN 71 H GLN 71 15.531 3.407 0.752
505 HA GLN 71 HA GLN 71 17.611 5.344 0.110
506 1HB GLN 71 1HB GLN 71 14.982 5.717 1.558
507 2HB GLN 71 2HB GLN 71 16.038 6.998 0.977
508 1HG GLN 71 1HG GLN 71 15.617 6.402 -1.301
509 2HG GLN 71 2HG GLN 71 14.729 4.963 -0.807
510 1HE2 GLN 71 1HE2 GLN 71 13.847 7.126 1.416
511 2HE2 GLN 71 2HE2 GLN 71 12.456 7.807 0.657
512 H LYS 72 H LYS 72 19.312 5.437 1.444
513 HA LYS 72 HA LYS 72 19.109 6.123 4.149
514 1HB LYS 72 1HB LYS 72 18.327 3.831 4.469
515 2HB LYS 72 2HB LYS 72 19.757 3.211 3.657
516 1HG LYS 72 1HG LYS 72 21.169 4.054 5.443
517 2HG LYS 72 2HG LYS 72 19.763 4.754 6.246
518 1HD LYS 72 1HD LYS 72 20.376 2.644 7.290
519 2HD LYS 72 2HD LYS 72 18.803 2.508 6.501
520 1HE LYS 72 1HE LYS 72 19.878 1.436 4.572
521 2HE LYS 72 2HE LYS 72 21.439 1.555 5.384
522 1HZ LYS 72 1HZ LYS 72 20.480 0.177 7.191
523 2HZ LYS 72 2HZ LYS 72 19.092 -0.042 6.249
524 3HZ LYS 72 3HZ LYS 72 20.582 -0.629 5.707
525 H THR 73 H THR 73 20.923 7.176 4.599
526 HA THR 73 HA THR 73 23.020 8.051 4.334
527 HB THR 73 HB THR 73 23.902 5.166 4.139
528 HG1 THR 73 HG1 THR 73 22.346 6.050 5.974
529 1HG2 THR 73 1HG2 THR 73 25.171 7.668 5.258
530 2HG2 THR 73 2HG2 THR 73 25.815 6.043 5.495
531 3HG2 THR 73 3HG2 THR 73 25.714 6.725 3.871
532 H ALA 74 H ALA 74 21.507 7.635 1.897
533 HA ALA 74 HA ALA 74 23.404 8.317 -0.027
534 1HB ALA 74 1HB ALA 74 22.447 5.649 -0.844
535 2HB ALA 74 2HB ALA 74 23.999 6.436 -1.129
536 3HB ALA 74 3HB ALA 74 23.672 5.671 0.425
537 H HIS 75 H HIS 75 20.360 6.593 0.489
538 HA HIS 75 HA HIS 75 18.296 6.794 -0.425
539 1HB HIS 75 1HB HIS 75 19.265 9.612 -0.964
540 2HB HIS 75 2HB HIS 75 17.590 9.084 -1.085
541 HD1 HIS 75 HD1 HIS 75 20.267 8.815 1.621
542 HD2 HIS 75 HD2 HIS 75 16.261 9.808 1.140
543 HE1 HIS 75 HE1 HIS 75 19.442 9.410 3.921
544 HE2 HIS 75 HE2 HIS 75 16.996 9.935 3.617
545 H GLU 76 H GLU 76 18.245 9.009 -2.769
546 HA GLU 76 HA GLU 76 19.596 7.680 -4.902
547 1HB GLU 76 1HB GLU 76 17.549 7.022 -6.151
548 2HB GLU 76 2HB GLU 76 17.806 6.080 -4.689
549 1HG GLU 76 1HG GLU 76 16.151 7.451 -3.520
550 2HG GLU 76 2HG GLU 76 15.886 8.378 -4.996
551 H THR 77 H THR 77 16.911 9.832 -4.031
552 HA THR 77 HA THR 77 16.994 11.370 -6.411
553 HB THR 77 HB THR 77 15.665 13.035 -5.172
554 HG1 THR 77 HG1 THR 77 15.720 13.072 -3.058
555 1HG2 THR 77 1HG2 THR 77 14.673 10.899 -6.119
556 2HG2 THR 77 2HG2 THR 77 14.685 10.274 -4.469
557 3HG2 THR 77 3HG2 THR 77 13.729 11.703 -4.864
558 H ASP 78 H ASP 78 18.369 11.867 -3.178
559 HA ASP 78 HA ASP 78 19.993 13.247 -2.391
560 1HB ASP 78 1HB ASP 78 21.270 11.843 -4.060
561 2HB ASP 78 2HB ASP 78 21.082 13.162 -5.210
562 H LYS 79 H LYS 79 21.317 15.103 -4.613
563 HA LYS 79 HA LYS 79 19.361 16.979 -5.359
564 1HB LYS 79 1HB LYS 79 19.385 17.227 -2.812
565 2HB LYS 79 2HB LYS 79 21.000 17.894 -2.993
566 1HG LYS 79 1HG LYS 79 18.574 19.034 -4.359
567 2HG LYS 79 2HG LYS 79 19.149 19.570 -2.782
568 1HD LYS 79 1HD LYS 79 21.288 20.211 -3.774
569 2HD LYS 79 2HD LYS 79 20.729 19.652 -5.352
570 1HE LYS 79 1HE LYS 79 18.932 21.313 -5.302
571 2HE LYS 79 2HE LYS 79 19.489 21.869 -3.724
572 1HZ LYS 79 1HZ LYS 79 21.671 22.347 -4.860
573 2HZ LYS 79 2HZ LYS 79 20.868 22.113 -6.331
574 3HZ LYS 79 3HZ LYS 79 20.379 23.351 -5.289
575 H SER 80 H SER 80 22.710 16.669 -4.215
576 HA SER 80 HA SER 80 24.700 17.337 -5.085
577 1HB SER 80 1HB SER 80 24.070 15.851 -6.918
578 2HB SER 80 2HB SER 80 23.163 17.152 -7.688
579 HG SER 80 HG SER 80 25.002 18.126 -8.254
580 H1 ALA 1 H1 ALA 1 10.336 -15.315 -2.000
581 H2 ALA 1 H2 ALA 1 11.740 -15.649 -1.119
582 H3 ALA 1 H3 ALA 1 11.000 -16.871 -2.023
583 HA ALA 1 HA ALA 1 10.469 -17.241 0.244
584 1HB ALA 1 1HB ALA 1 10.646 -14.485 0.436
585 2HB ALA 1 2HB ALA 1 8.942 -14.827 0.733
586 3HB ALA 1 3HB ALA 1 10.182 -15.600 1.721
587 H ARG 2 H ARG 2 8.678 -18.436 0.486
588 HA ARG 2 HA ARG 2 6.710 -18.497 -1.539
589 1HB ARG 2 1HB ARG 2 6.652 -19.750 1.213
590 2HB ARG 2 2HB ARG 2 5.588 -20.168 -0.124
591 1HG ARG 2 1HG ARG 2 7.521 -20.928 -1.419
592 2HG ARG 2 2HG ARG 2 8.579 -20.524 -0.065
593 1HD ARG 2 1HD ARG 2 6.350 -22.557 -0.050
594 2HD ARG 2 2HD ARG 2 8.077 -22.906 -0.093
595 HE ARG 2 HE ARG 2 6.542 -22.418 2.205
596 1HH1 ARG 2 1HH1 ARG 2 9.628 -21.568 0.818
597 2HH1 ARG 2 2HH1 ARG 2 10.391 -21.317 2.353
598 1HH2 ARG 2 1HH2 ARG 2 7.543 -22.090 4.225
599 2HH2 ARG 2 2HH2 ARG 2 9.207 -21.615 4.287
600 H THR 3 H THR 3 6.615 -17.355 1.827
601 HA THR 3 HA THR 3 3.904 -16.555 1.784
602 HB THR 3 HB THR 3 4.452 -15.228 3.799
603 HG1 THR 3 HG1 THR 3 6.586 -15.165 4.523
604 1HG2 THR 3 1HG2 THR 3 4.343 -17.916 3.581
605 2HG2 THR 3 2HG2 THR 3 5.943 -17.726 4.298
606 3HG2 THR 3 3HG2 THR 3 4.525 -17.068 5.115
607 H GLN 5 H GLN 5 1.893 -11.211 0.036
608 HA GLN 5 HA GLN 5 2.065 -10.316 2.721
609 1HB GLN 5 1HB GLN 5 4.164 -9.329 1.760
610 2HB GLN 5 2HB GLN 5 3.164 -8.422 0.634
611 1HG GLN 5 1HG GLN 5 3.820 -7.032 2.493
612 2HG GLN 5 2HG GLN 5 2.077 -7.295 2.509
613 1HE2 GLN 5 1HE2 GLN 5 4.767 -7.183 4.386
614 2HE2 GLN 5 2HE2 GLN 5 4.227 -8.127 5.728
615 H THR 6 H THR 6 0.377 -8.809 3.202
616 HA THR 6 HA THR 6 -1.415 -8.218 0.939
617 HB THR 6 HB THR 6 -3.362 -8.824 2.265
618 HG1 THR 6 HG1 THR 6 -3.138 -9.674 4.318
619 1HG2 THR 6 1HG2 THR 6 -2.299 -10.551 0.869
620 2HG2 THR 6 2HG2 THR 6 -1.314 -11.045 2.246
621 3HG2 THR 6 3HG2 THR 6 -3.065 -11.242 2.298
622 H ALA 7 H ALA 7 -2.890 -6.497 1.225
623 HA ALA 7 HA ALA 7 -2.811 -4.807 3.540
624 1HB ALA 7 1HB ALA 7 -1.474 -3.860 1.004
625 2HB ALA 7 2HB ALA 7 -0.728 -4.071 2.588
626 3HB ALA 7 3HB ALA 7 -1.937 -2.809 2.344
627 H ARG 8 H ARG 8 -4.694 -3.706 3.686
628 HA ARG 8 HA ARG 8 -6.740 -4.126 1.777
629 1HB ARG 8 1HB ARG 8 -6.607 -2.170 4.078
630 2HB ARG 8 2HB ARG 8 -8.050 -2.495 3.133
631 1HG ARG 8 1HG ARG 8 -8.277 -3.744 5.103
632 2HG ARG 8 2HG ARG 8 -7.823 -4.907 3.856
633 1HD ARG 8 1HD ARG 8 -5.618 -5.065 4.664
634 2HD ARG 8 2HD ARG 8 -5.792 -3.619 5.653
635 HE ARG 8 HE ARG 8 -6.488 -4.988 7.322
636 1HH1 ARG 8 1HH1 ARG 8 -7.347 -6.494 4.298
637 2HH1 ARG 8 2HH1 ARG 8 -8.070 -7.878 5.049
638 1HH2 ARG 8 1HH2 ARG 8 -7.432 -6.803 8.312
639 2HH2 ARG 8 2HH2 ARG 8 -8.118 -8.054 7.328
640 H SER 10 H SER 10 -7.002 -0.005 1.628
641 HA SER 10 HA SER 10 -8.221 1.580 2.706
642 1HB SER 10 1HB SER 10 -8.363 3.739 1.631
643 2HB SER 10 2HB SER 10 -6.832 2.992 1.178
644 HG SER 10 HG SER 10 -7.528 2.724 -0.831
645 H THR 11 H THR 11 -9.807 -0.518 1.821
646 HA THR 11 HA THR 11 -12.108 0.408 0.406
647 HB THR 11 HB THR 11 -13.164 -1.710 1.138
648 HG1 THR 11 HG1 THR 11 -10.703 -2.385 2.364
649 1HG2 THR 11 1HG2 THR 11 -10.904 -1.382 -0.527
650 2HG2 THR 11 2HG2 THR 11 -10.690 -2.901 0.342
651 3HG2 THR 11 3HG2 THR 11 -12.147 -2.631 -0.615
652 H GLY 12 H GLY 12 -11.553 -0.401 3.840
653 1HA GLY 12 1HA GLY 12 -13.135 1.772 4.773
654 2HA GLY 12 2HA GLY 12 -12.519 0.448 5.750
655 H GLY 13 H GLY 13 -14.210 -0.285 6.884
656 1HA GLY 13 1HA GLY 13 -16.307 -1.683 5.571
657 2HA GLY 13 2HA GLY 13 -16.893 -0.149 6.195
658 H LYS 14 H LYS 14 -15.868 0.189 8.584
659 HA LYS 14 HA LYS 14 -17.050 -1.954 10.125
660 1HB LYS 14 1HB LYS 14 -14.676 -2.662 9.780
661 2HB LYS 14 2HB LYS 14 -14.161 -1.199 10.608
662 1HG LYS 14 1HG LYS 14 -14.080 -3.067 12.122
663 2HG LYS 14 2HG LYS 14 -15.349 -1.952 12.628
664 1HD LYS 14 1HD LYS 14 -17.027 -3.388 11.566
665 2HD LYS 14 2HD LYS 14 -15.753 -4.504 11.068
666 1HE LYS 14 1HE LYS 14 -16.888 -5.302 13.076
667 2HE LYS 14 2HE LYS 14 -15.196 -4.926 13.405
668 1HZ LYS 14 1HZ LYS 14 -16.464 -2.596 13.950
669 2HZ LYS 14 2HZ LYS 14 -17.578 -3.746 14.494
670 3HZ LYS 14 3HZ LYS 14 -15.999 -3.745 15.099
671 H ALA 15 H ALA 15 -18.051 0.514 9.864
672 HA ALA 15 HA ALA 15 -18.750 2.376 10.969
673 1HB ALA 15 1HB ALA 15 -19.580 1.865 12.979
674 2HB ALA 15 2HB ALA 15 -18.878 0.270 12.714
675 3HB ALA 15 3HB ALA 15 -17.990 1.480 13.640
676 HA PRO 16 HA PRO 16 -14.198 3.714 11.453
677 1HB PRO 16 1HB PRO 16 -15.152 5.633 9.393
678 2HB PRO 16 2HB PRO 16 -13.619 4.761 9.494
679 1HG PRO 16 1HG PRO 16 -15.484 4.028 7.741
680 2HG PRO 16 2HG PRO 16 -14.515 2.816 8.600
681 1HD PRO 16 1HD PRO 16 -17.336 3.680 9.087
682 2HD PRO 16 2HD PRO 16 -16.622 2.057 9.177
683 H GLY 17 H GLY 17 -13.721 5.219 12.938
684 1HA GLY 17 1HA GLY 17 -14.048 6.863 14.510
685 2HA GLY 17 2HA GLY 17 -15.765 6.766 14.157
686 H GLY 18 H GLY 18 -13.627 8.992 14.495
687 1HA GLY 18 1HA GLY 18 -14.901 10.906 12.880
688 2HA GLY 18 2HA GLY 18 -13.424 10.399 12.074
No H/Q in entry = 688
Start of MODEL 4
1 H1 HIS 8 H1 HIS 8 -13.331 15.935 11.704
2 H2 HIS 8 H2 HIS 8 -12.744 15.980 10.118
3 H3 HIS 8 H3 HIS 8 -13.916 17.092 10.618
4 HA HIS 8 HA HIS 8 -15.487 15.754 9.914
5 1HB HIS 8 1HB HIS 8 -14.878 13.542 8.914
6 2HB HIS 8 2HB HIS 8 -13.945 14.892 8.290
7 HD1 HIS 8 HD1 HIS 8 -12.577 12.467 7.689
8 HD2 HIS 8 HD2 HIS 8 -12.245 14.108 11.490
9 HE1 HIS 8 HE1 HIS 8 -10.480 11.483 8.664
10 HE2 HIS 8 HE2 HIS 8 -10.353 12.416 11.000
11 H MET 9 H MET 9 -13.394 14.512 12.384
12 HA MET 9 HA MET 9 -13.690 13.009 14.083
13 1HB MET 9 1HB MET 9 -15.576 13.588 15.546
14 2HB MET 9 2HB MET 9 -14.733 15.016 14.968
15 1HG MET 9 1HG MET 9 -16.492 15.376 13.307
16 2HG MET 9 2HG MET 9 -17.339 13.949 13.903
17 1HE MET 9 1HE MET 9 -18.663 16.763 13.572
18 2HE MET 9 2HE MET 9 -19.594 15.450 14.292
19 3HE MET 9 3HE MET 9 -19.525 17.022 15.090
20 H VAL 10 H VAL 10 -14.185 11.662 11.790
21 HA VAL 10 HA VAL 10 -16.690 10.433 11.546
22 HB VAL 10 HB VAL 10 -14.002 9.230 10.868
23 1HG1 VAL 10 1HG1 VAL 10 -15.911 7.645 10.907
24 2HG1 VAL 10 2HG1 VAL 10 -16.718 8.644 9.699
25 3HG1 VAL 10 3HG1 VAL 10 -15.197 7.845 9.307
26 1HG2 VAL 10 1HG2 VAL 10 -15.426 11.466 9.737
27 2HG2 VAL 10 2HG2 VAL 10 -13.816 10.852 9.360
28 3HG2 VAL 10 3HG2 VAL 10 -15.230 10.176 8.551
29 H GLU 11 H GLU 11 -13.777 9.374 13.290
30 HA GLU 11 HA GLU 11 -13.445 7.832 14.927
31 1HB GLU 11 1HB GLU 11 -15.037 9.374 16.089
32 2HB GLU 11 2HB GLU 11 -16.355 8.325 15.588
33 1HG GLU 11 1HG GLU 11 -15.388 6.488 16.865
34 2HG GLU 11 2HG GLU 11 -14.050 7.527 17.353
35 H GLU 12 H GLU 12 -13.783 6.678 12.541
36 HA GLU 12 HA GLU 12 -15.849 4.816 12.254
37 1HB GLU 12 1HB GLU 12 -14.353 3.673 10.671
38 2HB GLU 12 2HB GLU 12 -14.368 5.413 10.415
39 1HG GLU 12 1HG GLU 12 -12.253 5.602 11.633
40 2HG GLU 12 2HG GLU 12 -12.234 3.853 11.853
41 H VAL 13 H VAL 13 -16.140 2.733 12.899
42 HA VAL 13 HA VAL 13 -15.016 1.883 15.322
43 HB VAL 13 HB VAL 13 -16.423 0.200 13.244
44 1HG1 VAL 13 1HG1 VAL 13 -15.499 -0.326 16.015
45 2HG1 VAL 13 2HG1 VAL 13 -17.058 -0.989 15.527
46 3HG1 VAL 13 3HG1 VAL 13 -15.602 -1.412 14.629
47 1HG2 VAL 13 1HG2 VAL 13 -17.384 2.091 15.319
48 2HG2 VAL 13 2HG2 VAL 13 -18.050 1.720 13.729
49 3HG2 VAL 13 3HG2 VAL 13 -18.302 0.605 15.072
50 H LEU 14 H LEU 14 -13.295 0.665 15.830
51 HA LEU 14 HA LEU 14 -11.378 0.058 13.762
52 1HB LEU 14 1HB LEU 14 -11.260 -0.479 16.731
53 2HB LEU 14 2HB LEU 14 -9.918 -0.602 15.611
54 HG LEU 14 HG LEU 14 -11.383 1.943 16.317
55 1HD1 LEU 14 1HD1 LEU 14 -9.182 0.539 17.551
56 2HD1 LEU 14 2HD1 LEU 14 -8.700 2.145 17.006
57 3HD1 LEU 14 3HD1 LEU 14 -10.067 1.960 18.106
58 1HD2 LEU 14 1HD2 LEU 14 -9.417 1.250 14.232
59 2HD2 LEU 14 2HD2 LEU 14 -10.616 2.542 14.281
60 3HD2 LEU 14 3HD2 LEU 14 -9.088 2.724 15.142
61 H GLU 15 H GLU 15 -13.644 -1.438 13.335
62 HA GLU 15 HA GLU 15 -13.545 -4.023 14.494
63 1HB GLU 15 1HB GLU 15 -15.080 -4.649 12.639
64 2HB GLU 15 2HB GLU 15 -15.599 -3.224 13.528
65 1HG GLU 15 1HG GLU 15 -14.725 -1.794 11.754
66 2HG GLU 15 2HG GLU 15 -14.194 -3.222 10.866
67 H GLU 16 H GLU 16 -13.833 -5.115 11.551
68 HA GLU 16 HA GLU 16 -11.129 -5.117 10.596
69 1HB GLU 16 1HB GLU 16 -10.747 -7.538 10.906
70 2HB GLU 16 2HB GLU 16 -10.855 -6.678 12.436
71 1HG GLU 16 1HG GLU 16 -13.152 -7.443 12.714
72 2HG GLU 16 2HG GLU 16 -13.060 -8.290 11.171
73 H GLU 17 H GLU 17 -13.660 -4.472 9.511
74 HA GLU 17 HA GLU 17 -14.636 -6.587 7.861
75 1HB GLU 17 1HB GLU 17 -16.061 -4.706 8.520
76 2HB GLU 17 2HB GLU 17 -15.018 -3.595 7.646
77 1HG GLU 17 1HG GLU 17 -17.039 -4.083 6.394
78 2HG GLU 17 2HG GLU 17 -15.608 -4.666 5.546
79 H GLU 18 H GLU 18 -12.193 -4.131 7.551
80 HA GLU 18 HA GLU 18 -11.835 -3.883 4.852
81 1HB GLU 18 1HB GLU 18 -9.611 -4.162 6.838
82 2HB GLU 18 2HB GLU 18 -9.540 -3.322 5.303
83 1HG GLU 18 1HG GLU 18 -11.182 -1.700 6.134
84 2HG GLU 18 2HG GLU 18 -11.201 -2.535 7.686
85 H GLU 19 H GLU 19 -11.282 -5.176 3.223
86 HA GLU 19 HA GLU 19 -10.560 -7.935 3.796
87 1HB GLU 19 1HB GLU 19 -12.334 -7.468 2.164
88 2HB GLU 19 2HB GLU 19 -11.191 -6.567 1.177
89 1HG GLU 19 1HG GLU 19 -9.888 -8.599 0.820
90 2HG GLU 19 2HG GLU 19 -11.028 -9.505 1.815
91 H GLU 20 H GLU 20 -8.651 -8.898 3.298
92 HA GLU 20 HA GLU 20 -6.383 -7.187 2.815
93 1HB GLU 20 1HB GLU 20 -6.544 -10.192 3.110
94 2HB GLU 20 2HB GLU 20 -5.060 -9.252 3.072
95 1HG GLU 20 1HG GLU 20 -5.704 -8.115 5.119
96 2HG GLU 20 2HG GLU 20 -7.221 -9.013 5.153
97 H TYR 21 H TYR 21 -5.199 -6.985 0.987
98 HA TYR 21 HA TYR 21 -6.011 -8.594 -1.344
99 1HB TYR 21 1HB TYR 21 -5.474 -5.644 -1.139
100 2HB TYR 21 2HB TYR 21 -5.305 -6.489 -2.676
101 HD1 TYR 21 HD1 TYR 21 -7.098 -6.165 -4.070
102 HD2 TYR 21 HD2 TYR 21 -7.822 -6.510 0.108
103 HE1 TYR 21 HE1 TYR 21 -9.511 -5.931 -4.476
104 HE2 TYR 21 HE2 TYR 21 -10.237 -6.280 -0.286
105 HH TYR 21 HH TYR 21 -11.812 -6.792 -2.428
106 H VAL 22 H VAL 22 -4.433 -9.464 -2.577
107 HA VAL 22 HA VAL 22 -1.901 -9.913 -1.540
108 HB VAL 22 HB VAL 22 -2.632 -10.028 -4.471
109 1HG1 VAL 22 1HG1 VAL 22 -0.177 -10.338 -3.365
110 2HG1 VAL 22 2HG1 VAL 22 -0.785 -11.993 -3.306
111 3HG1 VAL 22 3HG1 VAL 22 -0.712 -11.134 -4.844
112 1HG2 VAL 22 1HG2 VAL 22 -3.763 -11.448 -2.312
113 2HG2 VAL 22 2HG2 VAL 22 -3.988 -11.732 -4.038
114 3HG2 VAL 22 3HG2 VAL 22 -2.704 -12.569 -3.166
115 H VAL 23 H VAL 23 0.100 -9.050 -1.823
116 HA VAL 23 HA VAL 23 0.418 -6.720 -3.575
117 HB VAL 23 HB VAL 23 1.281 -6.738 -0.675
118 1HG1 VAL 23 1HG1 VAL 23 2.145 -5.207 -2.944
119 2HG1 VAL 23 2HG1 VAL 23 1.381 -4.151 -1.755
120 3HG1 VAL 23 3HG1 VAL 23 2.737 -5.176 -1.284
121 1HG2 VAL 23 1HG2 VAL 23 -1.139 -6.461 -0.909
122 2HG2 VAL 23 2HG2 VAL 23 -0.369 -4.979 -0.343
123 3HG2 VAL 23 3HG2 VAL 23 -0.877 -5.121 -2.026
124 H GLU 24 H GLU 24 2.275 -6.813 -4.689
125 HA GLU 24 HA GLU 24 4.103 -8.986 -4.171
126 1HB GLU 24 1HB GLU 24 3.439 -8.461 -6.466
127 2HB GLU 24 2HB GLU 24 4.136 -6.856 -6.312
128 1HG GLU 24 1HG GLU 24 6.351 -7.829 -6.041
129 2HG GLU 24 2HG GLU 24 5.661 -9.446 -6.158
130 H LYS 25 H LYS 25 4.534 -5.468 -4.615
131 HA LYS 25 HA LYS 25 6.419 -5.318 -2.429
132 1HB LYS 25 1HB LYS 25 7.322 -5.077 -5.291
133 2HB LYS 25 2HB LYS 25 8.191 -4.300 -3.978
134 1HG LYS 25 1HG LYS 25 7.680 -7.258 -4.218
135 2HG LYS 25 2HG LYS 25 9.186 -6.438 -4.628
136 1HD LYS 25 1HD LYS 25 7.922 -6.424 -1.889
137 2HD LYS 25 2HD LYS 25 9.213 -7.517 -2.389
138 1HE LYS 25 1HE LYS 25 10.227 -5.715 -1.207
139 2HE LYS 25 2HE LYS 25 10.598 -5.497 -2.915
140 1HZ LYS 25 1HZ LYS 25 8.195 -4.163 -2.013
141 2HZ LYS 25 2HZ LYS 25 9.625 -3.579 -1.324
142 3HZ LYS 25 3HZ LYS 25 9.444 -3.595 -3.005
143 H VAL 26 H VAL 26 6.622 -3.345 -1.614
144 HA VAL 26 HA VAL 26 4.752 -1.367 -2.282
145 HB VAL 26 HB VAL 26 7.024 -1.596 -0.408
146 1HG1 VAL 26 1HG1 VAL 26 7.609 0.459 -1.598
147 2HG1 VAL 26 2HG1 VAL 26 6.000 1.100 -1.258
148 3HG1 VAL 26 3HG1 VAL 26 7.120 0.778 0.067
149 1HG2 VAL 26 1HG2 VAL 26 4.499 -1.880 0.000
150 2HG2 VAL 26 2HG2 VAL 26 5.440 -0.960 1.176
151 3HG2 VAL 26 3HG2 VAL 26 4.456 -0.114 -0.026
152 H LEU 27 H LEU 27 4.781 0.200 -3.760
153 HA LEU 27 HA LEU 27 7.050 0.381 -5.525
154 1HB LEU 27 1HB LEU 27 4.362 1.739 -5.586
155 2HB LEU 27 2HB LEU 27 5.597 1.948 -6.813
156 HG LEU 27 HG LEU 27 4.201 -0.643 -6.135
157 1HD1 LEU 27 1HD1 LEU 27 3.835 1.417 -8.259
158 2HD1 LEU 27 2HD1 LEU 27 3.512 -0.277 -8.625
159 3HD1 LEU 27 3HD1 LEU 27 2.626 0.529 -7.331
160 1HD2 LEU 27 1HD2 LEU 27 6.682 -0.101 -7.498
161 2HD2 LEU 27 2HD2 LEU 27 5.944 -1.648 -7.083
162 3HD2 LEU 27 3HD2 LEU 27 5.512 -0.841 -8.591
163 H ASP 28 H ASP 28 5.424 2.494 -3.169
164 HA ASP 28 HA ASP 28 7.842 4.057 -2.943
165 1HB ASP 28 1HB ASP 28 5.386 5.263 -4.217
166 2HB ASP 28 2HB ASP 28 6.655 6.237 -3.487
167 H ARG 29 H ARG 29 6.478 6.421 -1.999
168 HA ARG 29 HA ARG 29 4.715 5.810 0.146
169 1HB ARG 29 1HB ARG 29 6.667 4.878 1.211
170 2HB ARG 29 2HB ARG 29 7.635 6.281 0.778
171 1HG ARG 29 1HG ARG 29 6.143 7.659 2.234
172 2HG ARG 29 2HG ARG 29 5.384 6.160 2.770
173 1HD ARG 29 1HD ARG 29 7.554 5.358 3.578
174 2HD ARG 29 2HD ARG 29 8.305 6.862 3.046
175 HE ARG 29 HE ARG 29 6.195 7.493 4.771
176 1HH1 ARG 29 1HH1 ARG 29 9.325 5.963 4.860
177 2HH1 ARG 29 2HH1 ARG 29 9.630 6.393 6.510
178 1HH2 ARG 29 1HH2 ARG 29 6.590 8.062 6.943
179 2HH2 ARG 29 2HH2 ARG 29 8.076 7.584 7.694
180 H ARG 30 H ARG 30 3.682 7.666 0.751
181 HA ARG 30 HA ARG 30 5.000 10.231 0.487
182 1HB ARG 30 1HB ARG 30 3.431 11.208 -1.051
183 2HB ARG 30 2HB ARG 30 4.121 9.773 -1.799
184 1HG ARG 30 1HG ARG 30 2.146 8.526 -1.453
185 2HG ARG 30 2HG ARG 30 1.484 9.741 -0.361
186 1HD ARG 30 1HD ARG 30 0.467 9.760 -2.629
187 2HD ARG 30 2HD ARG 30 1.200 11.291 -2.160
188 HE ARG 30 HE ARG 30 3.124 9.862 -3.535
189 1HH1 ARG 30 1HH1 ARG 30 -0.003 11.259 -4.175
190 2HH1 ARG 30 2HH1 ARG 30 0.331 11.559 -5.848
191 1HH2 ARG 30 1HH2 ARG 30 3.572 10.251 -5.737
192 2HH2 ARG 30 2HH2 ARG 30 2.362 10.985 -6.736
193 H VAL 31 H VAL 31 4.111 11.816 1.720
194 HA VAL 31 HA VAL 31 1.702 11.078 3.235
195 HB VAL 31 HB VAL 31 4.151 12.570 4.149
196 1HG1 VAL 31 1HG1 VAL 31 2.232 13.997 4.686
197 2HG1 VAL 31 2HG1 VAL 31 1.421 12.625 5.440
198 3HG1 VAL 31 3HG1 VAL 31 2.904 13.269 6.143
199 1HG2 VAL 31 1HG2 VAL 31 3.459 10.000 4.445
200 2HG2 VAL 31 2HG2 VAL 31 4.366 10.895 5.667
201 3HG2 VAL 31 3HG2 VAL 31 2.621 10.689 5.838
202 H VAL 32 H VAL 32 0.073 12.482 3.350
203 HA VAL 32 HA VAL 32 0.307 15.231 2.609
204 HB VAL 32 HB VAL 32 0.262 14.537 0.361
205 1HG1 VAL 32 1HG1 VAL 32 -1.133 12.258 1.398
206 2HG1 VAL 32 2HG1 VAL 32 -2.006 12.918 0.015
207 3HG1 VAL 32 3HG1 VAL 32 -0.310 12.454 -0.152
208 1HG2 VAL 32 1HG2 VAL 32 -1.744 16.058 1.341
209 2HG2 VAL 32 2HG2 VAL 32 -1.487 15.750 -0.376
210 3HG2 VAL 32 3HG2 VAL 32 -2.665 14.796 0.524
211 H LYS 33 H LYS 33 -1.258 16.349 3.595
212 HA LYS 33 HA LYS 33 -3.136 16.839 4.782
213 1HB LYS 33 1HB LYS 33 -4.394 15.666 3.008
214 2HB LYS 33 2HB LYS 33 -4.127 14.137 3.832
215 1HG LYS 33 1HG LYS 33 -5.495 14.816 5.673
216 2HG LYS 33 2HG LYS 33 -5.636 16.452 5.026
217 1HD LYS 33 1HD LYS 33 -6.665 13.949 3.689
218 2HD LYS 33 2HD LYS 33 -7.650 15.087 4.610
219 1HE LYS 33 1HE LYS 33 -6.105 15.700 2.092
220 2HE LYS 33 2HE LYS 33 -7.851 15.492 2.214
221 1HZ LYS 33 1HZ LYS 33 -7.591 17.390 3.972
222 2HZ LYS 33 2HZ LYS 33 -6.177 17.727 3.107
223 3HZ LYS 33 3HZ LYS 33 -7.676 17.751 2.321
224 H GLY 34 H GLY 34 -0.757 15.176 5.672
225 1HA GLY 34 1HA GLY 34 -1.748 14.695 8.345
226 2HA GLY 34 2HA GLY 34 -0.076 14.618 7.819
227 H LYS 35 H LYS 35 -2.349 12.829 5.965
228 HA LYS 35 HA LYS 35 -1.998 10.406 7.500
229 1HB LYS 35 1HB LYS 35 -3.510 9.409 5.885
230 2HB LYS 35 2HB LYS 35 -4.176 10.904 6.516
231 1HG LYS 35 1HG LYS 35 -3.423 12.058 4.477
232 2HG LYS 35 2HG LYS 35 -2.856 10.512 3.843
233 1HD LYS 35 1HD LYS 35 -5.695 11.138 4.632
234 2HD LYS 35 2HD LYS 35 -5.077 11.137 2.980
235 1HE LYS 35 1HE LYS 35 -6.123 9.047 3.248
236 2HE LYS 35 2HE LYS 35 -4.397 8.726 3.400
237 1HZ LYS 35 1HZ LYS 35 -5.995 9.241 5.815
238 2HZ LYS 35 2HZ LYS 35 -6.043 7.712 5.095
239 3HZ LYS 35 3HZ LYS 35 -4.572 8.343 5.645
240 H VAL 36 H VAL 36 -1.182 8.463 6.584
241 HA VAL 36 HA VAL 36 0.977 8.966 4.648
242 HB VAL 36 HB VAL 36 0.787 6.664 6.592
243 1HG1 VAL 36 1HG1 VAL 36 2.427 7.140 4.350
244 2HG1 VAL 36 2HG1 VAL 36 3.435 7.348 5.783
245 3HG1 VAL 36 3HG1 VAL 36 2.553 5.841 5.536
246 1HG2 VAL 36 1HG2 VAL 36 0.937 8.793 7.800
247 2HG2 VAL 36 2HG2 VAL 36 2.411 7.840 7.968
248 3HG2 VAL 36 3HG2 VAL 36 2.372 9.216 6.865
249 H GLU 37 H GLU 37 1.215 7.686 2.858
250 HA GLU 37 HA GLU 37 -0.519 5.370 2.502
251 1HB GLU 37 1HB GLU 37 -1.413 6.182 0.357
252 2HB GLU 37 2HB GLU 37 -1.926 7.182 1.708
253 1HG GLU 37 1HG GLU 37 -0.161 8.803 1.129
254 2HG GLU 37 2HG GLU 37 0.243 7.819 -0.275
255 H TYR 38 H TYR 38 0.432 3.811 1.352
256 HA TYR 38 HA TYR 38 2.944 4.459 -0.038
257 1HB TYR 38 1HB TYR 38 2.063 1.961 1.397
258 2HB TYR 38 2HB TYR 38 3.441 1.983 0.304
259 HD1 TYR 38 HD1 TYR 38 5.509 2.237 1.246
260 HD2 TYR 38 HD2 TYR 38 2.153 3.932 3.235
261 HE1 TYR 38 HE1 TYR 38 6.971 2.943 3.087
262 HE2 TYR 38 HE2 TYR 38 3.606 4.649 5.085
263 HH TYR 38 HH TYR 38 6.769 3.512 5.487
264 H LEU 39 H LEU 39 3.233 3.900 -2.112
265 HA LEU 39 HA LEU 39 0.966 3.045 -3.651
266 1HB LEU 39 1HB LEU 39 2.656 4.674 -4.477
267 2HB LEU 39 2HB LEU 39 3.848 3.389 -4.494
268 HG LEU 39 HG LEU 39 2.633 2.221 -6.236
269 1HD1 LEU 39 1HD1 LEU 39 0.415 3.489 -5.284
270 2HD1 LEU 39 2HD1 LEU 39 0.719 4.352 -6.791
271 3HD1 LEU 39 3HD1 LEU 39 0.508 2.602 -6.805
272 1HD2 LEU 39 1HD2 LEU 39 4.230 3.976 -6.872
273 2HD2 LEU 39 2HD2 LEU 39 2.922 3.809 -8.044
274 3HD2 LEU 39 3HD2 LEU 39 2.912 5.147 -6.893
275 H LEU 40 H LEU 40 0.757 1.059 -4.799
276 HA LEU 40 HA LEU 40 2.707 -1.026 -4.145
277 1HB LEU 40 1HB LEU 40 -0.253 -1.235 -3.594
278 2HB LEU 40 2HB LEU 40 0.883 -2.568 -3.481
279 HG LEU 40 HG LEU 40 1.041 -0.060 -1.808
280 1HD1 LEU 40 1HD1 LEU 40 -0.286 -2.688 -1.349
281 2HD1 LEU 40 2HD1 LEU 40 0.434 -1.815 0.004
282 3HD1 LEU 40 3HD1 LEU 40 -0.843 -1.061 -0.953
283 1HD2 LEU 40 1HD2 LEU 40 2.931 -2.054 -2.369
284 2HD2 LEU 40 2HD2 LEU 40 3.019 -0.787 -1.145
285 3HD2 LEU 40 3HD2 LEU 40 2.342 -2.365 -0.735
286 H LYS 41 H LYS 41 3.040 -2.484 -5.701
287 HA LYS 41 HA LYS 41 1.694 -2.118 -8.239
288 1HB LYS 41 1HB LYS 41 4.144 -2.402 -8.144
289 2HB LYS 41 2HB LYS 41 3.927 -4.005 -7.458
290 1HG LYS 41 1HG LYS 41 4.446 -4.167 -9.809
291 2HG LYS 41 2HG LYS 41 2.796 -4.719 -9.516
292 1HD LYS 41 1HD LYS 41 1.945 -2.536 -10.248
293 2HD LYS 41 2HD LYS 41 3.598 -2.001 -10.557
294 1HE LYS 41 1HE LYS 41 2.196 -4.302 -11.915
295 2HE LYS 41 2HE LYS 41 2.487 -2.711 -12.617
296 1HZ LYS 41 1HZ LYS 41 4.941 -3.254 -12.082
297 2HZ LYS 41 2HZ LYS 41 4.410 -4.860 -12.037
298 3HZ LYS 41 3HZ LYS 41 4.221 -3.946 -13.448
299 H TRP 42 H TRP 42 -0.368 -2.872 -7.151
300 HA TRP 42 HA TRP 42 -0.841 -5.423 -6.236
301 1HB TRP 42 1HB TRP 42 -2.784 -3.915 -7.986
302 2HB TRP 42 2HB TRP 42 -3.157 -5.073 -6.712
303 HD1 TRP 42 HD1 TRP 42 -2.242 -1.428 -7.272
304 HE1 TRP 42 HE1 TRP 42 -2.516 -0.141 -5.062
305 HE3 TRP 42 HE3 TRP 42 -3.031 -5.378 -4.124
306 HZ2 TRP 42 HZ2 TRP 42 -2.994 -0.721 -2.349
307 HZ3 TRP 42 HZ3 TRP 42 -3.383 -4.923 -1.730
308 HH2 TRP 42 HH2 TRP 42 -3.363 -2.640 -0.861
309 H LYS 43 H LYS 43 -1.204 -7.390 -7.097
310 HA LYS 43 HA LYS 43 -0.080 -8.044 -9.565
311 1HB LYS 43 1HB LYS 43 -0.851 -10.281 -9.183
312 2HB LYS 43 2HB LYS 43 -0.404 -9.608 -7.625
313 1HG LYS 43 1HG LYS 43 -3.220 -9.796 -8.679
314 2HG LYS 43 2HG LYS 43 -2.477 -10.934 -7.554
315 1HD LYS 43 1HD LYS 43 -2.185 -9.144 -5.923
316 2HD LYS 43 2HD LYS 43 -2.889 -7.986 -7.054
317 1HE LYS 43 1HE LYS 43 -4.290 -10.394 -5.898
318 2HE LYS 43 2HE LYS 43 -4.514 -8.727 -5.371
319 1HZ LYS 43 1HZ LYS 43 -5.228 -8.237 -7.701
320 2HZ LYS 43 2HZ LYS 43 -5.233 -9.903 -7.997
321 3HZ LYS 43 3HZ LYS 43 -6.276 -9.246 -6.837
322 H GLY 44 H GLY 44 -0.809 -8.285 -11.573
323 1HA GLY 44 1HA GLY 44 -3.614 -8.437 -12.187
324 2HA GLY 44 2HA GLY 44 -2.294 -8.348 -13.345
325 H PHE 45 H PHE 45 -2.826 -6.063 -10.734
326 HA PHE 45 HA PHE 45 -4.181 -4.149 -12.321
327 1HB PHE 45 1HB PHE 45 -2.833 -3.965 -9.635
328 2HB PHE 45 2HB PHE 45 -3.649 -2.599 -10.385
329 HD1 PHE 45 HD1 PHE 45 -4.545 -6.215 -10.069
330 HD2 PHE 45 HD2 PHE 45 -5.604 -2.173 -9.270
331 HE1 PHE 45 HE1 PHE 45 -6.683 -6.970 -9.119
332 HE2 PHE 45 HE2 PHE 45 -7.745 -2.921 -8.318
333 HZ PHE 45 HZ PHE 45 -8.287 -5.321 -8.242
334 H SER 46 H SER 46 -3.415 -2.638 -13.650
335 HA SER 46 HA SER 46 -0.591 -2.520 -14.183
336 1HB SER 46 1HB SER 46 -1.224 -0.933 -15.967
337 2HB SER 46 2HB SER 46 -2.191 -2.405 -16.030
338 HG SER 46 HG SER 46 -3.174 -0.262 -14.538
339 H ASP 47 H ASP 47 -0.195 0.132 -14.872
340 HA ASP 47 HA ASP 47 0.608 1.257 -12.434
341 1HB ASP 47 1HB ASP 47 0.226 2.608 -15.114
342 2HB ASP 47 2HB ASP 47 1.122 3.279 -13.755
343 H GLU 48 H GLU 48 -2.080 2.169 -14.585
344 HA GLU 48 HA GLU 48 -3.061 4.260 -12.993
345 1HB GLU 48 1HB GLU 48 -4.510 2.484 -14.962
346 2HB GLU 48 2HB GLU 48 -5.140 3.987 -14.309
347 1HG GLU 48 1HG GLU 48 -2.642 3.733 -15.966
348 2HG GLU 48 2HG GLU 48 -4.219 4.235 -16.570
349 H ASP 49 H ASP 49 -3.863 0.820 -13.102
350 HA ASP 49 HA ASP 49 -6.037 0.856 -11.354
351 1HB ASP 49 1HB ASP 49 -4.027 -1.316 -11.950
352 2HB ASP 49 2HB ASP 49 -5.495 -1.565 -11.016
353 H ASN 50 H ASN 50 -2.578 0.785 -10.706
354 HA ASN 50 HA ASN 50 -2.528 -0.044 -8.078
355 1HB ASN 50 1HB ASN 50 -0.857 2.110 -9.384
356 2HB ASN 50 2HB ASN 50 -0.507 1.397 -7.812
357 1HD2 ASN 50 1HD2 ASN 50 0.577 1.384 -10.767
358 2HD2 ASN 50 2HD2 ASN 50 1.066 -0.261 -10.955
359 H THR 51 H THR 51 -2.715 0.927 -6.081
360 HA THR 51 HA THR 51 -3.627 3.692 -5.933
361 HB THR 51 HB THR 51 -5.721 2.473 -6.131
362 HG1 THR 51 HG1 THR 51 -6.078 4.084 -4.740
363 1HG2 THR 51 1HG2 THR 51 -4.375 0.602 -4.350
364 2HG2 THR 51 2HG2 THR 51 -6.007 1.002 -3.814
365 3HG2 THR 51 3HG2 THR 51 -5.746 0.347 -5.429
366 H TRP 52 H TRP 52 -2.820 4.708 -4.208
367 HA TRP 52 HA TRP 52 -0.997 3.365 -2.483
368 1HB TRP 52 1HB TRP 52 -2.088 6.173 -2.232
369 2HB TRP 52 2HB TRP 52 -0.617 5.539 -1.514
370 HD1 TRP 52 HD1 TRP 52 -1.937 5.718 -5.182
371 HE1 TRP 52 HE1 TRP 52 0.008 6.525 -6.662
372 HE3 TRP 52 HE3 TRP 52 1.648 6.235 -1.594
373 HZ2 TRP 52 HZ2 TRP 52 2.705 7.295 -6.343
374 HZ3 TRP 52 HZ3 TRP 52 3.873 7.011 -2.253
375 HH2 TRP 52 HH2 TRP 52 4.402 7.530 -4.580
376 H GLU 53 H GLU 53 -1.385 2.424 -0.576
377 HA GLU 53 HA GLU 53 -4.013 2.852 0.668
378 1HB GLU 53 1HB GLU 53 -2.078 0.551 0.966
379 2HB GLU 53 2HB GLU 53 -3.621 0.688 1.799
380 1HG GLU 53 1HG GLU 53 -3.204 0.469 -1.172
381 2HG GLU 53 2HG GLU 53 -3.813 -0.789 -0.097
382 HA PRO 54 HA PRO 54 -2.244 4.965 4.116
383 1HB PRO 54 1HB PRO 54 -4.192 3.492 5.785
384 2HB PRO 54 2HB PRO 54 -3.967 5.233 5.594
385 1HG PRO 54 1HG PRO 54 -6.061 3.977 4.503
386 2HG PRO 54 2HG PRO 54 -5.255 5.322 3.677
387 1HD PRO 54 1HD PRO 54 -5.057 2.385 3.160
388 2HD PRO 54 2HD PRO 54 -5.080 3.735 2.008
389 H GLU 55 H GLU 55 -0.704 4.587 5.637
390 HA GLU 55 HA GLU 55 0.720 2.247 5.712
391 1HB GLU 55 1HB GLU 55 1.517 4.436 6.561
392 2HB GLU 55 2HB GLU 55 0.488 4.240 7.973
393 1HG GLU 55 1HG GLU 55 1.740 2.242 8.611
394 2HG GLU 55 2HG GLU 55 2.775 2.442 7.198
395 H GLU 56 H GLU 56 -1.968 3.187 7.797
396 HA GLU 56 HA GLU 56 -1.692 0.953 9.549
397 1HB GLU 56 1HB GLU 56 -3.892 1.643 10.426
398 2HB GLU 56 2HB GLU 56 -2.748 2.975 10.343
399 1HG GLU 56 1HG GLU 56 -3.803 3.758 8.286
400 2HG GLU 56 2HG GLU 56 -4.949 2.421 8.366
401 H ASN 57 H ASN 57 -3.836 1.652 6.801
402 HA ASN 57 HA ASN 57 -5.452 -0.614 7.002
403 1HB ASN 57 1HB ASN 57 -4.620 0.952 4.558
404 2HB ASN 57 2HB ASN 57 -5.887 -0.271 4.565
405 1HD2 ASN 57 1HD2 ASN 57 -7.821 0.598 4.603
406 2HD2 ASN 57 2HD2 ASN 57 -8.288 2.024 5.457
407 H LEU 58 H LEU 58 -2.722 -0.163 4.750
408 HA LEU 58 HA LEU 58 -2.683 -2.776 3.817
409 1HB LEU 58 1HB LEU 58 -0.302 -2.271 3.168
410 2HB LEU 58 2HB LEU 58 -1.526 -1.176 2.564
411 HG LEU 58 HG LEU 58 -0.911 0.380 4.460
412 1HD1 LEU 58 1HD1 LEU 58 1.073 -1.783 4.858
413 2HD1 LEU 58 2HD1 LEU 58 1.600 -0.117 5.104
414 3HD1 LEU 58 3HD1 LEU 58 0.251 -0.765 6.040
415 1HD2 LEU 58 1HD2 LEU 58 0.755 -0.304 2.106
416 2HD2 LEU 58 2HD2 LEU 58 -0.116 1.181 2.488
417 3HD2 LEU 58 3HD2 LEU 58 1.424 0.835 3.276
418 H ASP 59 H ASP 59 -1.524 -4.606 4.302
419 HA ASP 59 HA ASP 59 -0.386 -4.682 7.017
420 1HB ASP 59 1HB ASP 59 -2.491 -5.988 6.698
421 2HB ASP 59 2HB ASP 59 -1.660 -6.968 5.492
422 H CYS 60 H CYS 60 1.388 -3.870 5.245
423 HA CYS 60 HA CYS 60 3.036 -6.255 4.724
424 1HB CYS 60 1HB CYS 60 2.873 -3.788 2.979
425 2HB CYS 60 2HB CYS 60 3.914 -5.181 2.705
426 HG CYS 60 HG CYS 60 0.614 -5.828 2.922
427 HA PRO 61 HA PRO 61 5.113 -2.948 7.460
428 1HB PRO 61 1HB PRO 61 5.677 -5.384 9.056
429 2HB PRO 61 2HB PRO 61 5.156 -3.782 9.591
430 1HG PRO 61 1HG PRO 61 3.462 -5.842 9.585
431 2HG PRO 61 2HG PRO 61 2.923 -4.211 9.139
432 1HD PRO 61 1HD PRO 61 3.550 -6.551 7.384
433 2HD PRO 61 2HD PRO 61 2.252 -5.348 7.238
434 H ASP 62 H ASP 62 6.075 -6.293 6.733
435 HA ASP 62 HA ASP 62 8.841 -5.926 6.932
436 1HB ASP 62 1HB ASP 62 7.260 -7.875 5.246
437 2HB ASP 62 2HB ASP 62 9.000 -7.967 5.500
438 H LEU 63 H LEU 63 6.677 -5.597 4.131
439 HA LEU 63 HA LEU 63 8.750 -5.057 2.274
440 1HB LEU 63 1HB LEU 63 5.828 -4.320 2.146
441 2HB LEU 63 2HB LEU 63 6.950 -4.258 0.802
442 HG LEU 63 HG LEU 63 5.943 -6.713 2.231
443 1HD1 LEU 63 1HD1 LEU 63 4.468 -5.673 0.551
444 2HD1 LEU 63 2HD1 LEU 63 5.750 -5.851 -0.646
445 3HD1 LEU 63 3HD1 LEU 63 5.019 -7.282 0.081
446 1HD2 LEU 63 1HD2 LEU 63 8.420 -6.764 1.619
447 2HD2 LEU 63 2HD2 LEU 63 7.406 -8.057 0.979
448 3HD2 LEU 63 3HD2 LEU 63 7.886 -6.715 -0.061
449 H ILE 64 H ILE 64 6.676 -3.004 4.261
450 HA ILE 64 HA ILE 64 7.358 -0.525 3.178
451 HB ILE 64 HB ILE 64 6.647 -1.231 6.029
452 1HG1 ILE 64 1HG1 ILE 64 4.968 -0.072 3.793
453 2HG1 ILE 64 2HG1 ILE 64 4.958 -1.764 4.276
454 1HG2 ILE 64 1HG2 ILE 64 7.855 0.932 5.832
455 2HG2 ILE 64 2HG2 ILE 64 6.599 1.489 4.727
456 3HG2 ILE 64 3HG2 ILE 64 6.194 1.101 6.399
457 1HD1 ILE 64 1HD1 ILE 64 4.344 -0.823 6.611
458 2HD1 ILE 64 2HD1 ILE 64 3.884 0.620 5.705
459 3HD1 ILE 64 3HD1 ILE 64 3.110 -0.926 5.353
460 H ALA 65 H ALA 65 8.877 -2.353 5.817
461 HA ALA 65 HA ALA 65 10.908 -0.446 6.344
462 1HB ALA 65 1HB ALA 65 11.790 -3.086 6.992
463 2HB ALA 65 2HB ALA 65 10.085 -2.925 7.417
464 3HB ALA 65 3HB ALA 65 11.269 -1.794 8.074
465 H GLU 66 H GLU 66 10.742 -3.342 4.333
466 HA GLU 66 HA GLU 66 13.414 -3.425 3.496
467 1HB GLU 66 1HB GLU 66 11.805 -5.270 3.180
468 2HB GLU 66 2HB GLU 66 10.934 -4.306 1.995
469 1HG GLU 66 1HG GLU 66 12.809 -4.349 0.500
470 2HG GLU 66 2HG GLU 66 13.808 -5.151 1.713
471 H PHE 67 H PHE 67 10.647 -1.633 2.312
472 HA PHE 67 HA PHE 67 11.761 -0.682 -0.096
473 1HB PHE 67 1HB PHE 67 9.415 -0.521 0.134
474 2HB PHE 67 2HB PHE 67 9.538 0.277 1.696
475 HD1 PHE 67 HD1 PHE 67 9.124 2.510 1.781
476 HD2 PHE 67 HD2 PHE 67 10.570 0.840 -1.858
477 HE1 PHE 67 HE1 PHE 67 8.913 4.705 0.698
478 HE2 PHE 67 HE2 PHE 67 10.369 3.038 -2.948
479 HZ PHE 67 HZ PHE 67 9.539 4.974 -1.670
480 H LEU 68 H LEU 68 11.522 0.795 3.130
481 HA LEU 68 HA LEU 68 12.810 3.198 2.501
482 1HB LEU 68 1HB LEU 68 12.747 1.771 5.155
483 2HB LEU 68 2HB LEU 68 13.068 3.477 4.900
484 HG LEU 68 HG LEU 68 10.461 2.059 4.348
485 1HD1 LEU 68 1HD1 LEU 68 11.552 3.477 6.655
486 2HD1 LEU 68 2HD1 LEU 68 9.964 4.045 6.139
487 3HD1 LEU 68 3HD1 LEU 68 10.205 2.345 6.544
488 1HD2 LEU 68 1HD2 LEU 68 11.478 4.368 3.144
489 2HD2 LEU 68 2HD2 LEU 68 9.810 3.794 3.126
490 3HD2 LEU 68 3HD2 LEU 68 10.337 4.933 4.366
491 H GLN 69 H GLN 69 14.095 0.057 3.413
492 HA GLN 69 HA GLN 69 16.685 0.740 4.116
493 1HB GLN 69 1HB GLN 69 15.725 -1.668 2.561
494 2HB GLN 69 2HB GLN 69 17.334 -1.514 3.253
495 1HG GLN 69 1HG GLN 69 16.343 -1.346 5.488
496 2HG GLN 69 2HG GLN 69 14.740 -1.538 4.781
497 1HE2 GLN 69 1HE2 GLN 69 17.080 -3.122 6.376
498 2HE2 GLN 69 2HE2 GLN 69 16.783 -4.737 5.839
499 H SER 70 H SER 70 15.240 0.382 0.927
500 HA SER 70 HA SER 70 17.612 0.646 -0.580
501 1HB SER 70 1HB SER 70 14.760 1.329 -1.339
502 2HB SER 70 2HB SER 70 16.105 1.177 -2.469
503 HG SER 70 HG SER 70 16.114 -0.956 -2.206
504 H GLN 71 H GLN 71 15.353 2.971 0.776
505 HA GLN 71 HA GLN 71 16.418 5.248 -0.565
506 1HB GLN 71 1HB GLN 71 14.768 5.075 1.956
507 2HB GLN 71 2HB GLN 71 15.075 6.542 1.036
508 1HG GLN 71 1HG GLN 71 13.675 4.118 -0.045
509 2HG GLN 71 2HG GLN 71 12.856 5.534 0.616
510 1HE2 GLN 71 1HE2 GLN 71 13.645 4.088 -2.150
511 2HE2 GLN 71 2HE2 GLN 71 13.785 5.454 -3.196
512 H LYS 72 H LYS 72 18.278 3.469 1.059
513 HA LYS 72 HA LYS 72 19.189 5.181 3.191
514 1HB LYS 72 1HB LYS 72 19.272 2.631 3.171
515 2HB LYS 72 2HB LYS 72 20.629 2.786 2.066
516 1HG LYS 72 1HG LYS 72 21.871 4.041 3.747
517 2HG LYS 72 2HG LYS 72 20.505 3.913 4.857
518 1HD LYS 72 1HD LYS 72 20.719 1.462 4.804
519 2HD LYS 72 2HD LYS 72 22.115 1.620 3.735
520 1HE LYS 72 1HE LYS 72 21.895 2.700 6.543
521 2HE LYS 72 2HE LYS 72 22.805 1.271 6.052
522 1HZ LYS 72 1HZ LYS 72 24.177 2.711 4.643
523 2HZ LYS 72 2HZ LYS 72 23.337 4.067 5.203
524 3HZ LYS 72 3HZ LYS 72 24.270 3.149 6.275
525 H THR 73 H THR 73 21.997 4.026 2.010
526 HA THR 73 HA THR 73 23.042 6.516 1.303
527 HB THR 73 HB THR 73 24.085 3.782 0.531
528 HG1 THR 73 HG1 THR 73 23.990 5.137 2.898
529 1HG2 THR 73 1HG2 THR 73 24.947 6.033 -0.582
530 2HG2 THR 73 2HG2 THR 73 25.855 6.139 0.926
531 3HG2 THR 73 3HG2 THR 73 26.055 4.739 -0.127
532 H ALA 74 H ALA 74 22.083 3.793 -0.788
533 HA ALA 74 HA ALA 74 22.638 5.088 -3.230
534 1HB ALA 74 1HB ALA 74 20.496 3.010 -2.935
535 2HB ALA 74 2HB ALA 74 22.201 2.591 -2.765
536 3HB ALA 74 3HB ALA 74 21.608 3.276 -4.279
537 H HIS 75 H HIS 75 19.566 4.575 -1.519
538 HA HIS 75 HA HIS 75 17.572 5.648 -1.562
539 1HB HIS 75 1HB HIS 75 18.936 7.510 -0.735
540 2HB HIS 75 2HB HIS 75 19.286 8.000 -2.390
541 HD1 HIS 75 HD1 HIS 75 16.827 8.404 -3.789
542 HD2 HIS 75 HD2 HIS 75 16.982 9.031 0.317
543 HE1 HIS 75 HE1 HIS 75 14.874 9.897 -3.262
544 HE2 HIS 75 HE2 HIS 75 14.952 10.215 -0.764
545 H GLU 76 H GLU 76 19.023 7.535 -4.188
546 HA GLU 76 HA GLU 76 16.808 7.447 -5.860
547 1HB GLU 76 1HB GLU 76 18.330 8.199 -7.643
548 2HB GLU 76 2HB GLU 76 18.588 9.080 -6.145
549 1HG GLU 76 1HG GLU 76 20.534 7.692 -5.657
550 2HG GLU 76 2HG GLU 76 20.274 6.803 -7.156
551 H THR 77 H THR 77 16.244 6.239 -7.650
552 HA THR 77 HA THR 77 17.816 4.097 -8.666
553 HB THR 77 HB THR 77 17.196 2.962 -6.622
554 HG1 THR 77 HG1 THR 77 16.636 1.176 -7.660
555 1HG2 THR 77 1HG2 THR 77 14.795 4.408 -6.870
556 2HG2 THR 77 2HG2 THR 77 14.360 2.703 -6.988
557 3HG2 THR 77 3HG2 THR 77 15.252 3.290 -5.584
558 H ASP 78 H ASP 78 17.058 3.391 -10.613
559 HA ASP 78 HA ASP 78 15.846 3.366 -12.534
560 1HB ASP 78 1HB ASP 78 13.511 3.736 -10.644
561 2HB ASP 78 2HB ASP 78 13.375 3.301 -12.345
562 H LYS 79 H LYS 79 17.093 5.671 -12.214
563 HA LYS 79 HA LYS 79 15.600 8.022 -12.066
564 1HB LYS 79 1HB LYS 79 18.101 7.503 -13.684
565 2HB LYS 79 2HB LYS 79 17.481 9.086 -13.236
566 1HG LYS 79 1HG LYS 79 17.824 8.565 -10.879
567 2HG LYS 79 2HG LYS 79 18.427 6.967 -11.317
568 1HD LYS 79 1HD LYS 79 20.292 8.441 -10.880
569 2HD LYS 79 2HD LYS 79 20.247 8.045 -12.599
570 1HE LYS 79 1HE LYS 79 20.717 10.409 -12.274
571 2HE LYS 79 2HE LYS 79 19.153 10.187 -13.059
572 1HZ LYS 79 1HZ LYS 79 18.908 10.262 -10.220
573 2HZ LYS 79 2HZ LYS 79 19.652 11.663 -10.807
574 3HZ LYS 79 3HZ LYS 79 18.131 11.206 -11.390
575 H SER 80 H SER 80 14.400 9.174 -13.482
576 HA SER 80 HA SER 80 13.212 7.916 -15.684
577 1HB SER 80 1HB SER 80 13.367 10.868 -15.031
578 2HB SER 80 2HB SER 80 12.267 10.144 -16.203
579 HG SER 80 HG SER 80 10.992 9.888 -14.560
580 H1 ALA 1 H1 ALA 1 8.835 -16.253 -2.056
581 H2 ALA 1 H2 ALA 1 9.972 -15.098 -2.539
582 H3 ALA 1 H3 ALA 1 10.176 -16.720 -2.975
583 HA ALA 1 HA ALA 1 11.578 -16.735 -1.245
584 1HB ALA 1 1HB ALA 1 11.908 -14.749 -0.308
585 2HB ALA 1 2HB ALA 1 10.575 -15.109 0.788
586 3HB ALA 1 3HB ALA 1 10.272 -14.224 -0.707
587 H ARG 2 H ARG 2 8.152 -16.379 -0.403
588 HA ARG 2 HA ARG 2 7.966 -19.009 0.625
589 1HB ARG 2 1HB ARG 2 9.204 -18.075 2.506
590 2HB ARG 2 2HB ARG 2 8.031 -16.776 2.663
591 1HG ARG 2 1HG ARG 2 6.306 -18.394 3.255
592 2HG ARG 2 2HG ARG 2 7.474 -19.705 3.083
593 1HD ARG 2 1HD ARG 2 7.155 -19.052 5.430
594 2HD ARG 2 2HD ARG 2 8.812 -18.793 4.885
595 HE ARG 2 HE ARG 2 8.540 -16.607 5.433
596 1HH1 ARG 2 1HH1 ARG 2 5.397 -17.910 4.662
597 2HH1 ARG 2 2HH1 ARG 2 4.563 -16.427 4.990
598 1HH2 ARG 2 1HH2 ARG 2 7.447 -14.658 5.868
599 2HH2 ARG 2 2HH2 ARG 2 5.728 -14.580 5.675
600 H THR 3 H THR 3 6.619 -15.728 0.838
601 HA THR 3 HA THR 3 4.099 -16.638 -0.205
602 HB THR 3 HB THR 3 3.952 -15.365 2.527
603 HG1 THR 3 HG1 THR 3 3.343 -17.995 2.558
604 1HG2 THR 3 1HG2 THR 3 2.068 -16.499 0.559
605 2HG2 THR 3 2HG2 THR 3 1.762 -16.932 2.241
606 3HG2 THR 3 3HG2 THR 3 1.822 -15.235 1.764
607 H GLN 5 H GLN 5 3.695 -10.111 1.486
608 HA GLN 5 HA GLN 5 1.565 -10.349 3.369
609 1HB GLN 5 1HB GLN 5 3.188 -7.932 2.556
610 2HB GLN 5 2HB GLN 5 2.125 -8.019 3.955
611 1HG GLN 5 1HG GLN 5 3.521 -9.810 4.884
612 2HG GLN 5 2HG GLN 5 4.600 -9.670 3.497
613 1HE2 GLN 5 1HE2 GLN 5 4.192 -8.810 6.621
614 2HE2 GLN 5 2HE2 GLN 5 5.181 -7.396 6.674
615 H THR 6 H THR 6 -0.466 -9.514 3.339
616 HA THR 6 HA THR 6 -1.387 -8.417 0.772
617 HB THR 6 HB THR 6 -3.634 -9.121 1.457
618 HG1 THR 6 HG1 THR 6 -3.340 -8.910 3.735
619 1HG2 THR 6 1HG2 THR 6 -2.218 -10.721 0.262
620 2HG2 THR 6 2HG2 THR 6 -1.571 -11.299 1.797
621 3HG2 THR 6 3HG2 THR 6 -3.274 -11.544 1.410
622 H ALA 7 H ALA 7 -1.952 -6.331 0.645
623 HA ALA 7 HA ALA 7 -2.342 -4.830 3.130
624 1HB ALA 7 1HB ALA 7 -0.771 -3.698 1.850
625 2HB ALA 7 2HB ALA 7 -1.631 -4.008 0.339
626 3HB ALA 7 3HB ALA 7 -2.271 -2.837 1.496
627 H ARG 8 H ARG 8 -4.221 -3.896 3.677
628 HA ARG 8 HA ARG 8 -6.623 -4.813 2.522
629 1HB ARG 8 1HB ARG 8 -6.232 -2.477 4.395
630 2HB ARG 8 2HB ARG 8 -7.727 -3.369 4.126
631 1HG ARG 8 1HG ARG 8 -6.704 -5.376 5.063
632 2HG ARG 8 2HG ARG 8 -5.198 -4.490 5.319
633 1HD ARG 8 1HD ARG 8 -6.405 -2.935 6.809
634 2HD ARG 8 2HD ARG 8 -7.867 -3.897 6.596
635 HE ARG 8 HE ARG 8 -5.775 -4.426 8.398
636 1HH1 ARG 8 1HH1 ARG 8 -7.889 -6.077 6.168
637 2HH1 ARG 8 2HH1 ARG 8 -7.833 -7.578 7.031
638 1HH2 ARG 8 1HH2 ARG 8 -5.699 -6.395 9.535
639 2HH2 ARG 8 2HH2 ARG 8 -6.589 -7.759 8.944
640 H SER 10 H SER 10 -7.268 -0.631 1.892
641 HA SER 10 HA SER 10 -8.153 1.045 3.159
642 1HB SER 10 1HB SER 10 -8.994 2.967 1.867
643 2HB SER 10 2HB SER 10 -7.539 2.285 1.141
644 HG SER 10 HG SER 10 -9.192 2.728 -0.401
645 H THR 11 H THR 11 -9.636 -0.505 4.162
646 HA THR 11 HA THR 11 -11.667 -1.170 4.931
647 HB THR 11 HB THR 11 -13.411 0.523 5.130
648 HG1 THR 11 HG1 THR 11 -11.797 2.311 3.641
649 1HG2 THR 11 1HG2 THR 11 -10.574 1.302 5.676
650 2HG2 THR 11 2HG2 THR 11 -11.886 2.414 6.063
651 3HG2 THR 11 3HG2 THR 11 -11.838 0.816 6.806
652 H GLY 12 H GLY 12 -11.293 -2.463 2.721
653 1HA GLY 12 1HA GLY 12 -12.378 -3.632 1.070
654 2HA GLY 12 2HA GLY 12 -12.919 -2.057 0.507
655 H GLY 13 H GLY 13 -14.981 -2.597 -0.068
656 1HA GLY 13 1HA GLY 13 -16.689 -4.114 1.697
657 2HA GLY 13 2HA GLY 13 -17.150 -3.385 0.166
658 H LYS 14 H LYS 14 -18.954 -2.289 0.696
659 HA LYS 14 HA LYS 14 -18.771 0.196 1.973
660 1HB LYS 14 1HB LYS 14 -20.493 -0.319 0.314
661 2HB LYS 14 2HB LYS 14 -21.219 -1.487 1.409
662 1HG LYS 14 1HG LYS 14 -22.494 0.563 1.404
663 2HG LYS 14 2HG LYS 14 -21.738 0.325 2.980
664 1HD LYS 14 1HD LYS 14 -19.968 1.899 2.378
665 2HD LYS 14 2HD LYS 14 -20.700 2.121 0.787
666 1HE LYS 14 1HE LYS 14 -21.282 3.954 2.292
667 2HE LYS 14 2HE LYS 14 -22.710 3.030 1.825
668 1HZ LYS 14 1HZ LYS 14 -22.532 1.837 3.956
669 2HZ LYS 14 2HZ LYS 14 -21.246 2.842 4.402
670 3HZ LYS 14 3HZ LYS 14 -22.786 3.495 4.161
671 H ALA 15 H ALA 15 -20.185 -2.861 3.121
672 HA ALA 15 HA ALA 15 -19.369 -2.498 5.784
673 1HB ALA 15 1HB ALA 15 -20.866 -0.939 6.407
674 2HB ALA 15 2HB ALA 15 -21.961 -1.303 5.074
675 3HB ALA 15 3HB ALA 15 -21.962 -2.316 6.518
676 HA PRO 16 HA PRO 16 -22.335 -6.272 5.519
677 1HB PRO 16 1HB PRO 16 -23.682 -6.775 3.251
678 2HB PRO 16 2HB PRO 16 -24.295 -5.645 4.466
679 1HG PRO 16 1HG PRO 16 -22.852 -5.073 1.905
680 2HG PRO 16 2HG PRO 16 -24.279 -4.270 2.588
681 1HD PRO 16 1HD PRO 16 -21.748 -3.269 2.795
682 2HD PRO 16 2HD PRO 16 -23.021 -2.960 3.991
683 H GLY 17 H GLY 17 -19.622 -5.914 4.544
684 1HA GLY 17 1HA GLY 17 -17.940 -7.088 3.512
685 2HA GLY 17 2HA GLY 17 -19.111 -7.531 2.278
686 H GLY 18 H GLY 18 -19.039 -8.253 5.758
687 1HA GLY 18 1HA GLY 18 -19.045 -10.248 6.890
688 2HA GLY 18 2HA GLY 18 -18.151 -10.910 5.530
No H/Q in entry = 688
Start of MODEL 5
1 H1 HIS 8 H1 HIS 8 -21.396 -27.257 -6.447
2 H2 HIS 8 H2 HIS 8 -21.468 -28.205 -7.848
3 H3 HIS 8 H3 HIS 8 -19.998 -28.006 -7.036
4 HA HIS 8 HA HIS 8 -19.543 -26.348 -8.401
5 1HB HIS 8 1HB HIS 8 -21.171 -27.294 -9.962
6 2HB HIS 8 2HB HIS 8 -22.478 -26.448 -9.140
7 HD1 HIS 8 HD1 HIS 8 -19.173 -25.348 -10.701
8 HD2 HIS 8 HD2 HIS 8 -23.189 -24.285 -10.578
9 HE1 HIS 8 HE1 HIS 8 -19.371 -23.302 -12.150
10 HE2 HIS 8 HE2 HIS 8 -21.822 -22.717 -12.115
11 H MET 9 H MET 9 -22.603 -25.823 -6.686
12 HA MET 9 HA MET 9 -22.540 -23.035 -6.600
13 1HB MET 9 1HB MET 9 -24.057 -23.237 -4.664
14 2HB MET 9 2HB MET 9 -24.532 -24.281 -5.997
15 1HG MET 9 1HG MET 9 -23.521 -26.192 -4.861
16 2HG MET 9 2HG MET 9 -23.047 -25.145 -3.525
17 1HE MET 9 1HE MET 9 -24.069 -26.869 -2.013
18 2HE MET 9 2HE MET 9 -25.795 -27.100 -1.733
19 3HE MET 9 3HE MET 9 -25.008 -27.893 -3.100
20 H VAL 10 H VAL 10 -21.473 -21.576 -5.422
21 HA VAL 10 HA VAL 10 -20.115 -22.314 -2.964
22 HB VAL 10 HB VAL 10 -17.948 -21.328 -3.738
23 1HG1 VAL 10 1HG1 VAL 10 -18.450 -23.803 -3.647
24 2HG1 VAL 10 2HG1 VAL 10 -18.708 -23.725 -5.390
25 3HG1 VAL 10 3HG1 VAL 10 -17.130 -23.323 -4.714
26 1HG2 VAL 10 1HG2 VAL 10 -19.462 -20.614 -5.983
27 2HG2 VAL 10 2HG2 VAL 10 -17.731 -20.383 -5.737
28 3HG2 VAL 10 3HG2 VAL 10 -18.321 -21.837 -6.542
29 H GLU 11 H GLU 11 -18.388 -19.825 -3.427
30 HA GLU 11 HA GLU 11 -18.437 -17.610 -2.943
31 1HB GLU 11 1HB GLU 11 -21.233 -17.765 -4.076
32 2HB GLU 11 2HB GLU 11 -20.372 -16.276 -3.718
33 1HG GLU 11 1HG GLU 11 -18.671 -16.854 -5.363
34 2HG GLU 11 2HG GLU 11 -19.519 -18.359 -5.716
35 H GLU 12 H GLU 12 -18.756 -16.419 -1.139
36 HA GLU 12 HA GLU 12 -21.085 -16.478 0.461
37 1HB GLU 12 1HB GLU 12 -20.313 -18.731 1.020
38 2HB GLU 12 2HB GLU 12 -18.743 -18.094 1.486
39 1HG GLU 12 1HG GLU 12 -19.782 -16.847 3.306
40 2HG GLU 12 2HG GLU 12 -21.362 -17.470 2.833
41 H VAL 13 H VAL 13 -17.574 -16.039 0.434
42 HA VAL 13 HA VAL 13 -17.400 -14.184 2.532
43 HB VAL 13 HB VAL 13 -15.623 -14.368 0.093
44 1HG1 VAL 13 1HG1 VAL 13 -15.515 -12.307 1.632
45 2HG1 VAL 13 2HG1 VAL 13 -14.803 -13.408 2.812
46 3HG1 VAL 13 3HG1 VAL 13 -14.013 -13.150 1.257
47 1HG2 VAL 13 1HG2 VAL 13 -16.030 -16.182 2.287
48 2HG2 VAL 13 2HG2 VAL 13 -15.003 -16.358 0.865
49 3HG2 VAL 13 3HG2 VAL 13 -14.383 -15.553 2.307
50 H LEU 14 H LEU 14 -17.808 -12.065 2.685
51 HA LEU 14 HA LEU 14 -17.698 -10.201 0.591
52 1HB LEU 14 1HB LEU 14 -19.730 -11.469 -0.132
53 2HB LEU 14 2HB LEU 14 -20.512 -10.987 1.360
54 HG LEU 14 HG LEU 14 -20.326 -8.618 0.672
55 1HD1 LEU 14 1HD1 LEU 14 -18.352 -8.846 -0.767
56 2HD1 LEU 14 2HD1 LEU 14 -19.317 -9.746 -1.935
57 3HD1 LEU 14 3HD1 LEU 14 -19.689 -8.055 -1.600
58 1HD2 LEU 14 1HD2 LEU 14 -21.986 -10.647 -0.471
59 2HD2 LEU 14 2HD2 LEU 14 -22.384 -8.975 -0.075
60 3HD2 LEU 14 3HD2 LEU 14 -21.712 -9.371 -1.656
61 H GLU 15 H GLU 15 -16.743 -10.317 3.177
62 HA GLU 15 HA GLU 15 -18.369 -8.903 5.033
63 1HB GLU 15 1HB GLU 15 -15.365 -9.244 4.973
64 2HB GLU 15 2HB GLU 15 -16.302 -8.677 6.348
65 1HG GLU 15 1HG GLU 15 -16.529 -11.399 5.083
66 2HG GLU 15 2HG GLU 15 -15.649 -11.024 6.563
67 H GLU 16 H GLU 16 -18.587 -6.770 5.415
68 HA GLU 16 HA GLU 16 -17.921 -4.893 3.431
69 1HB GLU 16 1HB GLU 16 -18.697 -3.198 5.056
70 2HB GLU 16 2HB GLU 16 -19.817 -4.545 4.902
71 1HG GLU 16 1HG GLU 16 -18.920 -5.512 6.967
72 2HG GLU 16 2HG GLU 16 -17.830 -4.136 7.125
73 H GLU 17 H GLU 17 -16.336 -5.846 6.403
74 HA GLU 17 HA GLU 17 -14.547 -3.781 6.790
75 1HB GLU 17 1HB GLU 17 -14.799 -5.640 8.352
76 2HB GLU 17 2HB GLU 17 -14.089 -6.743 7.183
77 1HG GLU 17 1HG GLU 17 -12.461 -6.180 8.852
78 2HG GLU 17 2HG GLU 17 -11.982 -5.484 7.305
79 H GLU 18 H GLU 18 -12.451 -3.340 6.109
80 HA GLU 18 HA GLU 18 -11.870 -3.545 3.429
81 1HB GLU 18 1HB GLU 18 -9.866 -3.316 5.646
82 2HB GLU 18 2HB GLU 18 -9.623 -2.826 3.981
83 1HG GLU 18 1HG GLU 18 -11.335 -1.117 4.224
84 2HG GLU 18 2HG GLU 18 -11.618 -1.624 5.888
85 H GLU 19 H GLU 19 -11.209 -5.125 2.139
86 HA GLU 19 HA GLU 19 -10.341 -7.645 3.313
87 1HB GLU 19 1HB GLU 19 -10.987 -6.912 0.453
88 2HB GLU 19 2HB GLU 19 -10.572 -8.527 1.011
89 1HG GLU 19 1HG GLU 19 -12.551 -8.531 2.450
90 2HG GLU 19 2HG GLU 19 -12.971 -6.923 1.864
91 H GLU 20 H GLU 20 -8.334 -8.483 3.154
92 HA GLU 20 HA GLU 20 -6.198 -6.736 2.375
93 1HB GLU 20 1HB GLU 20 -4.775 -8.766 2.983
94 2HB GLU 20 2HB GLU 20 -5.740 -8.054 4.268
95 1HG GLU 20 1HG GLU 20 -7.425 -9.793 3.970
96 2HG GLU 20 2HG GLU 20 -6.462 -10.506 2.675
97 H TYR 21 H TYR 21 -5.099 -6.674 0.529
98 HA TYR 21 HA TYR 21 -5.596 -8.791 -1.460
99 1HB TYR 21 1HB TYR 21 -5.241 -5.820 -1.794
100 2HB TYR 21 2HB TYR 21 -4.997 -6.931 -3.137
101 HD1 TYR 21 HD1 TYR 21 -7.574 -6.640 -0.431
102 HD2 TYR 21 HD2 TYR 21 -6.772 -6.876 -4.602
103 HE1 TYR 21 HE1 TYR 21 -9.988 -6.602 -0.891
104 HE2 TYR 21 HE2 TYR 21 -9.186 -6.838 -5.074
105 HH TYR 21 HH TYR 21 -11.459 -5.871 -2.949
106 H VAL 22 H VAL 22 -3.880 -9.670 -2.541
107 HA VAL 22 HA VAL 22 -1.383 -9.736 -1.311
108 HB VAL 22 HB VAL 22 -2.000 -10.399 -4.196
109 1HG1 VAL 22 1HG1 VAL 22 0.456 -10.179 -3.168
110 2HG1 VAL 22 2HG1 VAL 22 0.090 -11.828 -2.662
111 3HG1 VAL 22 3HG1 VAL 22 0.031 -11.396 -4.371
112 1HG2 VAL 22 1HG2 VAL 22 -2.952 -11.584 -1.812
113 2HG2 VAL 22 2HG2 VAL 22 -3.148 -12.156 -3.469
114 3HG2 VAL 22 3HG2 VAL 22 -1.769 -12.688 -2.509
115 H VAL 23 H VAL 23 0.477 -8.624 -1.529
116 HA VAL 23 HA VAL 23 0.523 -6.421 -3.490
117 HB VAL 23 HB VAL 23 1.805 -6.480 -0.754
118 1HG1 VAL 23 1HG1 VAL 23 2.676 -5.100 -2.944
119 2HG1 VAL 23 2HG1 VAL 23 1.604 -3.931 -2.172
120 3HG1 VAL 23 3HG1 VAL 23 2.950 -4.625 -1.268
121 1HG2 VAL 23 1HG2 VAL 23 -0.825 -6.052 -1.310
122 2HG2 VAL 23 2HG2 VAL 23 0.031 -5.384 0.078
123 3HG2 VAL 23 3HG2 VAL 23 -0.178 -4.413 -1.379
124 H GLU 24 H GLU 24 2.235 -6.274 -4.819
125 HA GLU 24 HA GLU 24 4.131 -8.428 -4.873
126 1HB GLU 24 1HB GLU 24 3.246 -7.511 -6.951
127 2HB GLU 24 2HB GLU 24 3.911 -5.931 -6.565
128 1HG GLU 24 1HG GLU 24 6.171 -6.855 -6.689
129 2HG GLU 24 2HG GLU 24 5.497 -8.435 -7.090
130 H LYS 25 H LYS 25 4.425 -4.889 -4.541
131 HA LYS 25 HA LYS 25 6.346 -4.950 -2.502
132 1HB LYS 25 1HB LYS 25 7.833 -5.905 -4.193
133 2HB LYS 25 2HB LYS 25 7.493 -4.558 -5.273
134 1HG LYS 25 1HG LYS 25 8.534 -3.020 -3.680
135 2HG LYS 25 2HG LYS 25 8.878 -4.374 -2.603
136 1HD LYS 25 1HD LYS 25 10.857 -3.805 -3.884
137 2HD LYS 25 2HD LYS 25 10.264 -5.395 -4.366
138 1HE LYS 25 1HE LYS 25 9.192 -4.408 -6.324
139 2HE LYS 25 2HE LYS 25 9.756 -2.809 -5.836
140 1HZ LYS 25 1HZ LYS 25 11.517 -5.103 -6.516
141 2HZ LYS 25 2HZ LYS 25 11.160 -3.814 -7.551
142 3HZ LYS 25 3HZ LYS 25 12.023 -3.538 -6.123
143 H VAL 26 H VAL 26 6.557 -3.030 -1.609
144 HA VAL 26 HA VAL 26 4.905 -0.910 -2.320
145 HB VAL 26 HB VAL 26 7.007 -1.393 -0.335
146 1HG1 VAL 26 1HG1 VAL 26 6.468 1.412 -1.281
147 2HG1 VAL 26 2HG1 VAL 26 7.254 1.002 0.245
148 3HG1 VAL 26 3HG1 VAL 26 8.013 0.561 -1.286
149 1HG2 VAL 26 1HG2 VAL 26 4.456 -1.395 -0.095
150 2HG2 VAL 26 2HG2 VAL 26 5.405 -0.602 1.163
151 3HG2 VAL 26 3HG2 VAL 26 4.596 0.366 -0.078
152 H LEU 27 H LEU 27 5.108 0.802 -3.623
153 HA LEU 27 HA LEU 27 7.497 0.980 -5.276
154 1HB LEU 27 1HB LEU 27 4.838 2.395 -5.492
155 2HB LEU 27 2HB LEU 27 6.160 2.572 -6.629
156 HG LEU 27 HG LEU 27 5.961 0.079 -7.054
157 1HD1 LEU 27 1HD1 LEU 27 3.549 0.507 -5.346
158 2HD1 LEU 27 2HD1 LEU 27 3.581 -0.749 -6.583
159 3HD1 LEU 27 3HD1 LEU 27 4.757 -0.777 -5.270
160 1HD2 LEU 27 1HD2 LEU 27 4.964 2.067 -8.403
161 2HD2 LEU 27 2HD2 LEU 27 4.474 0.414 -8.774
162 3HD2 LEU 27 3HD2 LEU 27 3.424 1.448 -7.806
163 H ASP 28 H ASP 28 5.662 2.892 -2.945
164 HA ASP 28 HA ASP 28 7.875 4.376 -2.081
165 1HB ASP 28 1HB ASP 28 7.806 5.415 -4.299
166 2HB ASP 28 2HB ASP 28 6.120 5.857 -4.054
167 H ARG 29 H ARG 29 7.298 6.102 -0.565
168 HA ARG 29 HA ARG 29 4.681 5.572 0.637
169 1HB ARG 29 1HB ARG 29 5.569 6.597 2.656
170 2HB ARG 29 2HB ARG 29 6.656 5.340 2.089
171 1HG ARG 29 1HG ARG 29 8.108 7.053 1.107
172 2HG ARG 29 2HG ARG 29 7.025 8.303 1.724
173 1HD ARG 29 1HD ARG 29 8.580 6.304 3.361
174 2HD ARG 29 2HD ARG 29 8.918 8.025 3.213
175 HE ARG 29 HE ARG 29 7.105 6.836 5.002
176 1HH1 ARG 29 1HH1 ARG 29 7.387 9.588 2.880
177 2HH1 ARG 29 2HH1 ARG 29 6.288 10.567 3.794
178 1HH2 ARG 29 1HH2 ARG 29 5.658 8.119 6.208
179 2HH2 ARG 29 2HH2 ARG 29 5.306 9.731 5.685
180 H ARG 30 H ARG 30 3.506 7.466 1.569
181 HA ARG 30 HA ARG 30 4.025 10.019 0.281
182 1HB ARG 30 1HB ARG 30 2.763 8.590 -1.352
183 2HB ARG 30 2HB ARG 30 1.438 8.552 -0.202
184 1HG ARG 30 1HG ARG 30 1.265 10.994 -0.356
185 2HG ARG 30 2HG ARG 30 2.543 10.986 -1.573
186 1HD ARG 30 1HD ARG 30 1.144 9.497 -2.969
187 2HD ARG 30 2HD ARG 30 -0.145 9.636 -1.774
188 HE ARG 30 HE ARG 30 0.669 12.194 -2.593
189 1HH1 ARG 30 1HH1 ARG 30 -1.062 9.408 -3.760
190 2HH1 ARG 30 2HH1 ARG 30 -2.041 10.316 -4.863
191 1HH2 ARG 30 1HH2 ARG 30 -0.613 13.401 -4.043
192 2HH2 ARG 30 2HH2 ARG 30 -1.787 12.587 -5.024
193 H VAL 31 H VAL 31 2.510 11.703 0.983
194 HA VAL 31 HA VAL 31 0.925 11.136 3.363
195 HB VAL 31 HB VAL 31 3.171 13.165 3.402
196 1HG1 VAL 31 1HG1 VAL 31 0.913 12.578 5.277
197 2HG1 VAL 31 2HG1 VAL 31 2.431 13.246 5.879
198 3HG1 VAL 31 3HG1 VAL 31 1.490 14.134 4.678
199 1HG2 VAL 31 1HG2 VAL 31 3.028 10.382 4.216
200 2HG2 VAL 31 2HG2 VAL 31 4.429 11.441 4.057
201 3HG2 VAL 31 3HG2 VAL 31 3.483 11.447 5.545
202 H VAL 32 H VAL 32 -0.798 12.525 3.595
203 HA VAL 32 HA VAL 32 -1.059 14.564 1.487
204 HB VAL 32 HB VAL 32 -3.495 14.434 1.878
205 1HG1 VAL 32 1HG1 VAL 32 -1.869 12.104 1.018
206 2HG1 VAL 32 2HG1 VAL 32 -3.612 11.882 1.174
207 3HG1 VAL 32 3HG1 VAL 32 -2.973 13.119 0.091
208 1HG2 VAL 32 1HG2 VAL 32 -2.788 13.236 4.272
209 2HG2 VAL 32 2HG2 VAL 32 -4.416 13.363 3.604
210 3HG2 VAL 32 3HG2 VAL 32 -3.452 11.913 3.314
211 H LYS 33 H LYS 33 -1.571 14.055 4.954
212 HA LYS 33 HA LYS 33 -0.941 16.763 5.568
213 1HB LYS 33 1HB LYS 33 -3.138 17.390 6.521
214 2HB LYS 33 2HB LYS 33 -3.198 17.179 4.777
215 1HG LYS 33 1HG LYS 33 -4.178 14.961 5.074
216 2HG LYS 33 2HG LYS 33 -4.114 15.169 6.826
217 1HD LYS 33 1HD LYS 33 -5.609 17.108 6.638
218 2HD LYS 33 2HD LYS 33 -5.685 16.872 4.891
219 1HE LYS 33 1HE LYS 33 -6.609 14.917 6.994
220 2HE LYS 33 2HE LYS 33 -7.648 15.929 5.991
221 1HZ LYS 33 1HZ LYS 33 -6.244 14.694 4.117
222 2HZ LYS 33 2HZ LYS 33 -6.212 13.494 5.309
223 3HZ LYS 33 3HZ LYS 33 -7.691 14.075 4.734
224 H GLY 34 H GLY 34 0.211 14.498 6.432
225 1HA GLY 34 1HA GLY 34 -0.706 14.305 9.234
226 2HA GLY 34 2HA GLY 34 0.982 14.229 8.742
227 H LYS 35 H LYS 35 -1.657 12.641 7.063
228 HA LYS 35 HA LYS 35 -1.314 10.088 8.278
229 1HB LYS 35 1HB LYS 35 -2.599 10.867 5.657
230 2HB LYS 35 2HB LYS 35 -2.747 9.301 6.433
231 1HG LYS 35 1HG LYS 35 -3.871 10.334 8.333
232 2HG LYS 35 2HG LYS 35 -3.707 11.917 7.569
233 1HD LYS 35 1HD LYS 35 -5.940 11.051 7.202
234 2HD LYS 35 2HD LYS 35 -5.062 11.111 5.672
235 1HE LYS 35 1HE LYS 35 -4.577 8.717 5.863
236 2HE LYS 35 2HE LYS 35 -5.458 8.661 7.390
237 1HZ LYS 35 1HZ LYS 35 -7.192 9.798 5.586
238 2HZ LYS 35 2HZ LYS 35 -6.459 8.536 4.733
239 3HZ LYS 35 3HZ LYS 35 -7.256 8.221 6.193
240 H VAL 36 H VAL 36 -1.320 8.517 5.882
241 HA VAL 36 HA VAL 36 0.985 9.002 4.327
242 HB VAL 36 HB VAL 36 2.150 8.522 6.424
243 1HG1 VAL 36 1HG1 VAL 36 0.158 6.710 6.890
244 2HG1 VAL 36 2HG1 VAL 36 1.527 5.673 6.488
245 3HG1 VAL 36 3HG1 VAL 36 1.660 6.841 7.804
246 1HG2 VAL 36 1HG2 VAL 36 2.444 6.910 3.993
247 2HG2 VAL 36 2HG2 VAL 36 3.635 7.872 4.870
248 3HG2 VAL 36 3HG2 VAL 36 3.240 6.242 5.417
249 H GLU 37 H GLU 37 0.856 7.861 2.523
250 HA GLU 37 HA GLU 37 -0.649 5.331 2.523
251 1HB GLU 37 1HB GLU 37 -1.586 5.981 0.310
252 2HB GLU 37 2HB GLU 37 -2.152 6.986 1.637
253 1HG GLU 37 1HG GLU 37 -0.414 8.660 0.991
254 2HG GLU 37 2HG GLU 37 -0.097 7.689 -0.443
255 H TYR 38 H TYR 38 0.452 3.716 1.649
256 HA TYR 38 HA TYR 38 2.879 4.329 0.128
257 1HB TYR 38 1HB TYR 38 2.003 1.849 1.606
258 2HB TYR 38 2HB TYR 38 3.392 1.867 0.527
259 HD1 TYR 38 HD1 TYR 38 2.019 3.553 3.558
260 HD2 TYR 38 HD2 TYR 38 5.481 2.485 1.328
261 HE1 TYR 38 HE1 TYR 38 3.443 4.359 5.393
262 HE2 TYR 38 HE2 TYR 38 6.916 3.291 3.151
263 HH TYR 38 HH TYR 38 6.008 5.281 5.466
264 H LEU 39 H LEU 39 3.336 3.314 -1.848
265 HA LEU 39 HA LEU 39 0.943 2.625 -3.346
266 1HB LEU 39 1HB LEU 39 2.486 4.274 -4.292
267 2HB LEU 39 2HB LEU 39 3.772 3.081 -4.293
268 HG LEU 39 HG LEU 39 2.780 1.841 -6.030
269 1HD1 LEU 39 1HD1 LEU 39 0.520 1.792 -5.131
270 2HD1 LEU 39 2HD1 LEU 39 0.292 3.478 -5.626
271 3HD1 LEU 39 3HD1 LEU 39 0.523 2.224 -6.847
272 1HD2 LEU 39 1HD2 LEU 39 3.446 4.477 -6.395
273 2HD2 LEU 39 2HD2 LEU 39 3.175 3.297 -7.677
274 3HD2 LEU 39 3HD2 LEU 39 1.864 4.361 -7.166
275 H LEU 40 H LEU 40 0.561 0.694 -4.342
276 HA LEU 40 HA LEU 40 2.503 -1.471 -3.887
277 1HB LEU 40 1HB LEU 40 -0.479 -1.794 -3.613
278 2HB LEU 40 2HB LEU 40 0.755 -2.986 -3.267
279 HG LEU 40 HG LEU 40 -0.070 -2.216 -1.207
280 1HD1 LEU 40 1HD1 LEU 40 2.637 -1.281 -1.941
281 2HD1 LEU 40 2HD1 LEU 40 1.989 -0.798 -0.373
282 3HD1 LEU 40 3HD1 LEU 40 2.136 -2.509 -0.778
283 1HD2 LEU 40 1HD2 LEU 40 -0.652 0.128 -2.477
284 2HD2 LEU 40 2HD2 LEU 40 -0.839 -0.197 -0.752
285 3HD2 LEU 40 3HD2 LEU 40 0.626 0.588 -1.350
286 H LYS 41 H LYS 41 2.797 -2.847 -5.559
287 HA LYS 41 HA LYS 41 1.459 -2.243 -8.065
288 1HB LYS 41 1HB LYS 41 3.999 -2.790 -7.669
289 2HB LYS 41 2HB LYS 41 3.454 -4.459 -7.717
290 1HG LYS 41 1HG LYS 41 3.044 -2.433 -9.909
291 2HG LYS 41 2HG LYS 41 4.294 -3.675 -9.884
292 1HD LYS 41 1HD LYS 41 2.563 -5.409 -9.863
293 2HD LYS 41 2HD LYS 41 1.315 -4.163 -9.888
294 1HE LYS 41 1HE LYS 41 1.687 -5.092 -12.117
295 2HE LYS 41 2HE LYS 41 2.119 -3.383 -12.053
296 1HZ LYS 41 1HZ LYS 41 4.453 -4.060 -11.795
297 2HZ LYS 41 2HZ LYS 41 4.000 -5.681 -11.972
298 3HZ LYS 41 3HZ LYS 41 3.788 -4.599 -13.253
299 H TRP 42 H TRP 42 -0.611 -2.983 -7.038
300 HA TRP 42 HA TRP 42 -1.206 -5.516 -6.189
301 1HB TRP 42 1HB TRP 42 -3.043 -3.912 -7.964
302 2HB TRP 42 2HB TRP 42 -3.494 -5.072 -6.717
303 HD1 TRP 42 HD1 TRP 42 -2.785 -1.447 -7.252
304 HE1 TRP 42 HE1 TRP 42 -2.917 -0.181 -5.017
305 HE3 TRP 42 HE3 TRP 42 -2.930 -5.441 -4.065
306 HZ2 TRP 42 HZ2 TRP 42 -3.056 -0.792 -2.269
307 HZ3 TRP 42 HZ3 TRP 42 -3.058 -5.011 -1.644
308 HH2 TRP 42 HH2 TRP 42 -3.117 -2.731 -0.765
309 H LYS 43 H LYS 43 -1.570 -7.462 -7.049
310 HA LYS 43 HA LYS 43 -0.555 -8.049 -9.630
311 1HB LYS 43 1HB LYS 43 -1.195 -10.356 -9.147
312 2HB LYS 43 2HB LYS 43 -0.403 -9.633 -7.754
313 1HG LYS 43 1HG LYS 43 -2.568 -9.275 -6.695
314 2HG LYS 43 2HG LYS 43 -3.375 -9.973 -8.100
315 1HD LYS 43 1HD LYS 43 -2.201 -12.096 -7.699
316 2HD LYS 43 2HD LYS 43 -1.432 -11.391 -6.276
317 1HE LYS 43 1HE LYS 43 -3.620 -11.067 -5.245
318 2HE LYS 43 2HE LYS 43 -4.403 -11.735 -6.677
319 1HZ LYS 43 1HZ LYS 43 -3.235 -13.832 -6.257
320 2HZ LYS 43 2HZ LYS 43 -2.564 -13.183 -4.847
321 3HZ LYS 43 3HZ LYS 43 -4.238 -13.402 -4.963
322 H GLY 44 H GLY 44 -1.605 -8.921 -11.430
323 1HA GLY 44 1HA GLY 44 -4.484 -8.933 -11.576
324 2HA GLY 44 2HA GLY 44 -3.368 -9.282 -12.888
325 H PHE 45 H PHE 45 -3.526 -6.382 -10.868
326 HA PHE 45 HA PHE 45 -4.791 -4.844 -12.914
327 1HB PHE 45 1HB PHE 45 -3.552 -4.069 -10.275
328 2HB PHE 45 2HB PHE 45 -4.317 -2.912 -11.359
329 HD1 PHE 45 HD1 PHE 45 -5.043 -6.159 -9.665
330 HD2 PHE 45 HD2 PHE 45 -6.543 -2.429 -11.054
331 HE1 PHE 45 HE1 PHE 45 -7.239 -6.686 -8.693
332 HE2 PHE 45 HE2 PHE 45 -8.740 -2.945 -10.077
333 HZ PHE 45 HZ PHE 45 -9.090 -5.076 -8.894
334 H SER 46 H SER 46 -2.899 -2.503 -12.113
335 HA SER 46 HA SER 46 -0.415 -3.138 -13.375
336 1HB SER 46 1HB SER 46 -0.707 -1.718 -15.374
337 2HB SER 46 2HB SER 46 -1.816 -3.090 -15.379
338 HG SER 46 HG SER 46 -3.226 -1.554 -15.731
339 H ASP 47 H ASP 47 0.328 -0.656 -14.315
340 HA ASP 47 HA ASP 47 0.972 0.692 -11.924
341 1HB ASP 47 1HB ASP 47 1.201 1.638 -14.787
342 2HB ASP 47 2HB ASP 47 1.977 2.397 -13.400
343 H GLU 48 H GLU 48 -1.288 1.531 -14.545
344 HA GLU 48 HA GLU 48 -2.117 3.972 -13.377
345 1HB GLU 48 1HB GLU 48 -3.973 3.847 -15.011
346 2HB GLU 48 2HB GLU 48 -2.399 3.590 -15.745
347 1HG GLU 48 1HG GLU 48 -2.799 1.179 -15.748
348 2HG GLU 48 2HG GLU 48 -4.382 1.446 -15.022
349 H ASP 49 H ASP 49 -3.296 0.668 -13.176
350 HA ASP 49 HA ASP 49 -5.716 1.280 -11.836
351 1HB ASP 49 1HB ASP 49 -4.145 -1.279 -12.106
352 2HB ASP 49 2HB ASP 49 -5.717 -1.181 -11.326
353 H ASN 50 H ASN 50 -2.486 0.365 -10.663
354 HA ASN 50 HA ASN 50 -3.095 -0.251 -8.057
355 1HB ASN 50 1HB ASN 50 -0.826 0.319 -7.443
356 2HB ASN 50 2HB ASN 50 -0.834 -0.478 -9.009
357 1HD2 ASN 50 1HD2 ASN 50 0.779 0.323 -10.121
358 2HD2 ASN 50 2HD2 ASN 50 1.142 2.001 -10.324
359 H THR 51 H THR 51 -3.164 0.833 -6.114
360 HA THR 51 HA THR 51 -3.457 3.745 -6.193
361 HB THR 51 HB THR 51 -5.734 2.900 -6.366
362 HG1 THR 51 HG1 THR 51 -5.656 4.709 -5.113
363 1HG2 THR 51 1HG2 THR 51 -4.877 1.176 -4.079
364 2HG2 THR 51 2HG2 THR 51 -6.569 1.657 -4.219
365 3HG2 THR 51 3HG2 THR 51 -5.798 0.751 -5.522
366 H TRP 52 H TRP 52 -3.152 4.772 -4.155
367 HA TRP 52 HA TRP 52 -1.301 3.342 -2.458
368 1HB TRP 52 1HB TRP 52 -2.221 6.211 -2.291
369 2HB TRP 52 2HB TRP 52 -0.818 5.499 -1.514
370 HD1 TRP 52 HD1 TRP 52 -1.965 5.464 -5.244
371 HE1 TRP 52 HE1 TRP 52 0.077 6.089 -6.680
372 HE3 TRP 52 HE3 TRP 52 1.413 6.267 -1.520
373 HZ2 TRP 52 HZ2 TRP 52 2.763 6.839 -6.280
374 HZ3 TRP 52 HZ3 TRP 52 3.684 6.937 -2.120
375 HH2 TRP 52 HH2 TRP 52 4.354 7.207 -4.454
376 H GLU 53 H GLU 53 -1.744 2.507 -0.519
377 HA GLU 53 HA GLU 53 -4.347 3.142 0.699
378 1HB GLU 53 1HB GLU 53 -2.762 0.623 0.543
379 2HB GLU 53 2HB GLU 53 -3.734 0.897 1.982
380 1HG GLU 53 1HG GLU 53 -5.028 -0.388 0.472
381 2HG GLU 53 2HG GLU 53 -5.706 1.237 0.500
382 HA PRO 54 HA PRO 54 -2.325 5.028 4.129
383 1HB PRO 54 1HB PRO 54 -4.490 3.927 5.801
384 2HB PRO 54 2HB PRO 54 -4.041 5.610 5.517
385 1HG PRO 54 1HG PRO 54 -6.268 4.551 4.460
386 2HG PRO 54 2HG PRO 54 -5.309 5.760 3.592
387 1HD PRO 54 1HD PRO 54 -5.431 2.801 3.204
388 2HD PRO 54 2HD PRO 54 -5.306 4.093 1.994
389 H GLU 55 H GLU 55 -0.984 4.461 5.817
390 HA GLU 55 HA GLU 55 0.130 1.961 5.926
391 1HB GLU 55 1HB GLU 55 1.131 4.000 6.901
392 2HB GLU 55 2HB GLU 55 -0.033 3.927 8.216
393 1HG GLU 55 1HG GLU 55 0.888 1.771 8.908
394 2HG GLU 55 2HG GLU 55 2.061 1.857 7.595
395 H GLU 56 H GLU 56 -2.614 3.175 7.766
396 HA GLU 56 HA GLU 56 -2.799 0.954 9.529
397 1HB GLU 56 1HB GLU 56 -5.050 1.840 10.052
398 2HB GLU 56 2HB GLU 56 -3.795 3.069 10.141
399 1HG GLU 56 1HG GLU 56 -4.450 3.897 7.939
400 2HG GLU 56 2HG GLU 56 -5.709 2.667 7.853
401 H ASN 57 H ASN 57 -4.420 1.775 6.483
402 HA ASN 57 HA ASN 57 -6.217 -0.382 6.427
403 1HB ASN 57 1HB ASN 57 -4.980 1.217 4.186
404 2HB ASN 57 2HB ASN 57 -6.270 0.043 3.949
405 1HD2 ASN 57 1HD2 ASN 57 -8.190 0.926 3.808
406 2HD2 ASN 57 2HD2 ASN 57 -8.728 2.354 4.619
407 H LEU 58 H LEU 58 -3.092 -0.036 4.752
408 HA LEU 58 HA LEU 58 -3.087 -2.612 3.659
409 1HB LEU 58 1HB LEU 58 -0.644 -2.227 3.343
410 2HB LEU 58 2HB LEU 58 -1.683 -0.972 2.704
411 HG LEU 58 HG LEU 58 -1.192 0.333 4.831
412 1HD1 LEU 58 1HD1 LEU 58 -0.344 -1.590 6.117
413 2HD1 LEU 58 2HD1 LEU 58 1.048 -1.670 5.038
414 3HD1 LEU 58 3HD1 LEU 58 0.802 -0.250 6.056
415 1HD2 LEU 58 1HD2 LEU 58 0.234 0.022 2.408
416 2HD2 LEU 58 2HD2 LEU 58 0.136 1.444 3.446
417 3HD2 LEU 58 3HD2 LEU 58 1.418 0.258 3.695
418 H ASP 59 H ASP 59 -0.674 -3.768 4.259
419 HA ASP 59 HA ASP 59 -0.226 -4.185 7.020
420 1HB ASP 59 1HB ASP 59 -2.502 -5.290 6.676
421 2HB ASP 59 2HB ASP 59 -1.667 -6.478 5.679
422 H CYS 60 H CYS 60 1.605 -3.642 5.262
423 HA CYS 60 HA CYS 60 3.017 -6.182 4.856
424 1HB CYS 60 1HB CYS 60 3.879 -5.357 2.686
425 2HB CYS 60 2HB CYS 60 2.132 -5.575 2.679
426 HG CYS 60 HG CYS 60 3.539 -2.512 3.217
427 HA PRO 61 HA PRO 61 5.403 -2.744 7.157
428 1HB PRO 61 1HB PRO 61 5.971 -5.142 8.827
429 2HB PRO 61 2HB PRO 61 5.633 -3.480 9.322
430 1HG PRO 61 1HG PRO 61 3.780 -5.369 9.582
431 2HG PRO 61 2HG PRO 61 3.340 -3.731 9.066
432 1HD PRO 61 1HD PRO 61 3.602 -6.225 7.442
433 2HD PRO 61 2HD PRO 61 2.425 -4.904 7.298
434 H ASP 62 H ASP 62 6.164 -6.132 6.424
435 HA ASP 62 HA ASP 62 8.946 -5.938 6.478
436 1HB ASP 62 1HB ASP 62 7.214 -7.726 4.759
437 2HB ASP 62 2HB ASP 62 8.939 -7.948 5.035
438 H LEU 63 H LEU 63 6.694 -5.467 3.749
439 HA LEU 63 HA LEU 63 8.726 -4.916 1.853
440 1HB LEU 63 1HB LEU 63 5.865 -3.964 1.790
441 2HB LEU 63 2HB LEU 63 6.954 -4.104 0.426
442 HG LEU 63 HG LEU 63 5.670 -6.333 1.991
443 1HD1 LEU 63 1HD1 LEU 63 5.535 -5.384 -0.853
444 2HD1 LEU 63 2HD1 LEU 63 4.911 -6.946 -0.323
445 3HD1 LEU 63 3HD1 LEU 63 4.232 -5.456 0.331
446 1HD2 LEU 63 1HD2 LEU 63 8.090 -6.797 1.477
447 2HD2 LEU 63 2HD2 LEU 63 6.936 -7.925 0.763
448 3HD2 LEU 63 3HD2 LEU 63 7.674 -6.669 -0.231
449 H ILE 64 H ILE 64 6.737 -2.903 3.954
450 HA ILE 64 HA ILE 64 7.474 -0.386 3.013
451 HB ILE 64 HB ILE 64 6.822 -1.212 5.849
452 1HG1 ILE 64 1HG1 ILE 64 5.053 -0.049 3.685
453 2HG1 ILE 64 2HG1 ILE 64 5.090 -1.747 4.142
454 1HG2 ILE 64 1HG2 ILE 64 7.637 1.319 4.738
455 2HG2 ILE 64 2HG2 ILE 64 6.008 1.422 5.405
456 3HG2 ILE 64 3HG2 ILE 64 7.342 0.874 6.419
457 1HD1 ILE 64 1HD1 ILE 64 4.587 -0.677 6.533
458 2HD1 ILE 64 2HD1 ILE 64 3.866 0.561 5.504
459 3HD1 ILE 64 3HD1 ILE 64 3.322 -1.113 5.383
460 H ALA 65 H ALA 65 9.038 -2.533 5.335
461 HA ALA 65 HA ALA 65 11.102 -0.736 6.093
462 1HB ALA 65 1HB ALA 65 11.627 -3.649 6.178
463 2HB ALA 65 2HB ALA 65 10.252 -3.059 7.110
464 3HB ALA 65 3HB ALA 65 11.865 -2.417 7.418
465 H GLU 66 H GLU 66 10.853 -3.331 3.702
466 HA GLU 66 HA GLU 66 13.482 -3.309 2.762
467 1HB GLU 66 1HB GLU 66 10.891 -3.953 1.335
468 2HB GLU 66 2HB GLU 66 12.486 -4.246 0.648
469 1HG GLU 66 1HG GLU 66 13.001 -5.735 2.537
470 2HG GLU 66 2HG GLU 66 11.373 -5.474 3.160
471 H PHE 67 H PHE 67 10.730 -1.292 2.008
472 HA PHE 67 HA PHE 67 11.708 0.005 -0.272
473 1HB PHE 67 1HB PHE 67 9.403 0.229 0.274
474 2HB PHE 67 2HB PHE 67 9.770 0.835 1.883
475 HD1 PHE 67 HD1 PHE 67 9.379 3.043 2.217
476 HD2 PHE 67 HD2 PHE 67 10.584 1.747 -1.651
477 HE1 PHE 67 HE1 PHE 67 9.216 5.354 1.403
478 HE2 PHE 67 HE2 PHE 67 10.424 4.056 -2.481
479 HZ PHE 67 HZ PHE 67 9.741 5.868 -0.953
480 H LEU 68 H LEU 68 11.870 0.956 3.155
481 HA LEU 68 HA LEU 68 13.320 3.329 2.735
482 1HB LEU 68 1HB LEU 68 13.286 1.605 5.208
483 2HB LEU 68 2HB LEU 68 13.696 3.309 5.124
484 HG LEU 68 HG LEU 68 10.976 2.116 4.576
485 1HD1 LEU 68 1HD1 LEU 68 12.090 3.669 6.893
486 2HD1 LEU 68 2HD1 LEU 68 10.362 3.461 6.598
487 3HD1 LEU 68 3HD1 LEU 68 11.381 2.054 6.903
488 1HD2 LEU 68 1HD2 LEU 68 12.120 4.587 3.741
489 2HD2 LEU 68 2HD2 LEU 68 10.478 3.988 3.504
490 3HD2 LEU 68 3HD2 LEU 68 10.879 4.914 4.951
491 H GLN 69 H GLN 69 14.365 0.016 3.400
492 HA GLN 69 HA GLN 69 17.061 0.470 3.890
493 1HB GLN 69 1HB GLN 69 15.777 -1.860 2.455
494 2HB GLN 69 2HB GLN 69 17.422 -1.847 3.075
495 1HG GLN 69 1HG GLN 69 16.558 -1.544 5.344
496 2HG GLN 69 2HG GLN 69 14.912 -1.580 4.715
497 1HE2 GLN 69 1HE2 GLN 69 16.571 -3.666 2.829
498 2HE2 GLN 69 2HE2 GLN 69 16.297 -5.135 3.694
499 H SER 70 H SER 70 15.331 0.194 0.839
500 HA SER 70 HA SER 70 17.498 0.107 -0.920
501 1HB SER 70 1HB SER 70 14.779 1.393 -1.317
502 2HB SER 70 2HB SER 70 15.912 0.984 -2.606
503 HG SER 70 HG SER 70 15.215 -1.051 -0.838
504 H GLN 71 H GLN 71 15.751 2.848 0.442
505 HA GLN 71 HA GLN 71 17.200 4.852 -0.941
506 1HB GLN 71 1HB GLN 71 15.704 5.163 1.661
507 2HB GLN 71 2HB GLN 71 16.015 6.399 0.444
508 1HG GLN 71 1HG GLN 71 14.596 5.213 -1.138
509 2HG GLN 71 2HG GLN 71 14.295 3.958 0.061
510 1HE2 GLN 71 1HE2 GLN 71 12.859 6.376 -1.394
511 2HE2 GLN 71 2HE2 GLN 71 11.826 6.959 -0.143
512 H LYS 72 H LYS 72 17.741 3.128 2.049
513 HA LYS 72 HA LYS 72 19.444 4.814 3.414
514 1HB LYS 72 1HB LYS 72 19.618 1.810 3.115
515 2HB LYS 72 2HB LYS 72 20.517 2.740 4.306
516 1HG LYS 72 1HG LYS 72 17.514 2.599 4.124
517 2HG LYS 72 2HG LYS 72 18.516 1.680 5.247
518 1HD LYS 72 1HD LYS 72 18.357 4.692 5.109
519 2HD LYS 72 2HD LYS 72 17.531 3.679 6.294
520 1HE LYS 72 1HE LYS 72 19.688 2.871 7.111
521 2HE LYS 72 2HE LYS 72 20.519 3.866 5.916
522 1HZ LYS 72 1HZ LYS 72 18.742 4.951 8.030
523 2HZ LYS 72 2HZ LYS 72 20.425 4.855 8.167
524 3HZ LYS 72 3HZ LYS 72 19.726 5.834 6.976
525 H THR 73 H THR 73 21.379 5.673 3.014
526 HA THR 73 HA THR 73 23.302 6.219 1.915
527 HB THR 73 HB THR 73 23.619 3.241 1.478
528 HG1 THR 73 HG1 THR 73 24.140 4.835 3.783
529 1HG2 THR 73 1HG2 THR 73 25.328 5.573 1.128
530 2HG2 THR 73 2HG2 THR 73 26.052 4.356 2.179
531 3HG2 THR 73 3HG2 THR 73 25.542 3.920 0.549
532 H ALA 74 H ALA 74 21.019 6.408 0.398
533 HA ALA 74 HA ALA 74 20.390 6.851 -1.740
534 1HB ALA 74 1HB ALA 74 23.264 6.297 -2.082
535 2HB ALA 74 2HB ALA 74 22.265 6.134 -3.526
536 3HB ALA 74 3HB ALA 74 22.291 7.658 -2.639
537 H HIS 75 H HIS 75 22.376 3.884 -1.943
538 HA HIS 75 HA HIS 75 20.265 2.080 -2.081
539 1HB HIS 75 1HB HIS 75 20.247 1.534 -4.498
540 2HB HIS 75 2HB HIS 75 19.643 3.154 -4.175
541 HD1 HIS 75 HD1 HIS 75 21.843 4.994 -4.319
542 HD2 HIS 75 HD2 HIS 75 21.858 1.557 -6.652
543 HE1 HIS 75 HE1 HIS 75 23.439 5.468 -6.204
544 HE2 HIS 75 HE2 HIS 75 23.366 3.406 -7.649
545 H GLU 76 H GLU 76 21.563 0.485 -4.282
546 HA GLU 76 HA GLU 76 24.275 0.043 -3.699
547 1HB GLU 76 1HB GLU 76 23.153 -0.707 -1.525
548 2HB GLU 76 2HB GLU 76 22.490 -2.047 -2.449
549 1HG GLU 76 1HG GLU 76 24.752 -2.789 -2.997
550 2HG GLU 76 2HG GLU 76 25.416 -1.445 -2.071
551 H THR 77 H THR 77 23.417 -3.041 -3.851
552 HA THR 77 HA THR 77 23.479 -4.568 -5.542
553 HB THR 77 HB THR 77 21.628 -4.433 -7.141
554 HG1 THR 77 HG1 THR 77 21.016 -2.500 -7.728
555 1HG2 THR 77 1HG2 THR 77 21.218 -3.921 -4.247
556 2HG2 THR 77 2HG2 THR 77 19.803 -3.818 -5.295
557 3HG2 THR 77 3HG2 THR 77 20.745 -5.307 -5.231
558 H ASP 78 H ASP 78 22.587 -3.669 -8.361
559 HA ASP 78 HA ASP 78 25.154 -3.432 -9.474
560 1HB ASP 78 1HB ASP 78 23.156 -4.316 -10.671
561 2HB ASP 78 2HB ASP 78 22.511 -2.680 -10.745
562 H LYS 79 H LYS 79 26.333 -1.702 -10.196
563 HA LYS 79 HA LYS 79 26.105 0.742 -8.890
564 1HB LYS 79 1HB LYS 79 27.548 0.025 -11.443
565 2HB LYS 79 2HB LYS 79 27.691 1.596 -10.671
566 1HG LYS 79 1HG LYS 79 29.572 0.291 -10.037
567 2HG LYS 79 2HG LYS 79 28.524 0.443 -8.627
568 1HD LYS 79 1HD LYS 79 27.634 -1.792 -9.041
569 2HD LYS 79 2HD LYS 79 28.652 -1.941 -10.476
570 1HE LYS 79 1HE LYS 79 30.649 -1.735 -9.071
571 2HE LYS 79 2HE LYS 79 29.627 -1.598 -7.641
572 1HZ LYS 79 1HZ LYS 79 28.947 -3.908 -9.135
573 2HZ LYS 79 2HZ LYS 79 30.600 -3.915 -8.777
574 3HZ LYS 79 3HZ LYS 79 29.463 -3.791 -7.529
575 H SER 80 H SER 80 25.308 -0.003 -12.279
576 HA SER 80 HA SER 80 24.070 1.110 -13.834
577 1HB SER 80 1HB SER 80 21.811 1.750 -13.093
578 2HB SER 80 2HB SER 80 22.282 0.183 -12.437
579 HG SER 80 HG SER 80 22.230 0.985 -10.486
580 H1 ALA 1 H1 ALA 1 2.463 -21.532 2.046
581 H2 ALA 1 H2 ALA 1 3.993 -21.730 1.351
582 H3 ALA 1 H3 ALA 1 3.851 -21.140 2.929
583 HA ALA 1 HA ALA 1 4.233 -19.211 1.808
584 1HB ALA 1 1HB ALA 1 2.579 -20.360 -0.436
585 2HB ALA 1 2HB ALA 1 3.291 -18.747 -0.434
586 3HB ALA 1 3HB ALA 1 4.332 -20.169 -0.402
587 H ARG 2 H ARG 2 2.348 -19.820 3.777
588 HA ARG 2 HA ARG 2 -0.232 -18.809 3.188
589 1HB ARG 2 1HB ARG 2 -0.491 -18.691 5.663
590 2HB ARG 2 2HB ARG 2 0.074 -20.254 5.089
591 1HG ARG 2 1HG ARG 2 2.361 -19.656 5.719
592 2HG ARG 2 2HG ARG 2 1.785 -18.095 6.305
593 1HD ARG 2 1HD ARG 2 0.373 -19.235 7.947
594 2HD ARG 2 2HD ARG 2 0.947 -20.795 7.358
595 HE ARG 2 HE ARG 2 3.165 -19.255 8.096
596 1HH1 ARG 2 1HH1 ARG 2 0.425 -20.833 9.557
597 2HH1 ARG 2 2HH1 ARG 2 1.227 -21.113 11.066
598 1HH2 ARG 2 1HH2 ARG 2 4.229 -19.614 10.082
599 2HH2 ARG 2 2HH2 ARG 2 3.389 -20.419 11.365
600 H THR 3 H THR 3 2.559 -17.343 4.844
601 HA THR 3 HA THR 3 1.267 -14.729 4.734
602 HB THR 3 HB THR 3 3.891 -15.544 6.000
603 HG1 THR 3 HG1 THR 3 1.577 -16.175 6.820
604 1HG2 THR 3 1HG2 THR 3 3.528 -13.094 5.262
605 2HG2 THR 3 2HG2 THR 3 2.360 -13.030 6.581
606 3HG2 THR 3 3HG2 THR 3 4.052 -13.404 6.917
607 H GLN 5 H GLN 5 2.675 -11.279 3.773
608 HA GLN 5 HA GLN 5 1.991 -9.129 3.953
609 1HB GLN 5 1HB GLN 5 3.512 -8.753 1.372
610 2HB GLN 5 2HB GLN 5 2.979 -7.468 2.447
611 1HG GLN 5 1HG GLN 5 4.991 -9.615 3.074
612 2HG GLN 5 2HG GLN 5 5.323 -7.909 2.778
613 1HE2 GLN 5 1HE2 GLN 5 5.612 -6.732 4.514
614 2HE2 GLN 5 2HE2 GLN 5 4.972 -7.049 6.088
615 H THR 6 H THR 6 0.179 -8.023 3.560
616 HA THR 6 HA THR 6 -1.093 -8.051 0.952
617 HB THR 6 HB THR 6 -3.275 -8.839 1.881
618 HG1 THR 6 HG1 THR 6 -3.085 -8.695 4.053
619 1HG2 THR 6 1HG2 THR 6 -1.496 -10.311 0.687
620 2HG2 THR 6 2HG2 THR 6 -1.283 -11.037 2.281
621 3HG2 THR 6 3HG2 THR 6 -2.860 -11.087 1.492
622 H ALA 7 H ALA 7 -1.752 -6.019 0.638
623 HA ALA 7 HA ALA 7 -2.427 -4.384 2.982
624 1HB ALA 7 1HB ALA 7 -0.766 -3.299 1.723
625 2HB ALA 7 2HB ALA 7 -1.575 -3.653 0.194
626 3HB ALA 7 3HB ALA 7 -2.272 -2.473 1.310
627 H ARG 8 H ARG 8 -4.461 -3.810 3.377
628 HA ARG 8 HA ARG 8 -6.577 -4.760 1.712
629 1HB ARG 8 1HB ARG 8 -6.765 -2.840 4.036
630 2HB ARG 8 2HB ARG 8 -8.056 -3.841 3.379
631 1HG ARG 8 1HG ARG 8 -6.705 -5.847 4.028
632 2HG ARG 8 2HG ARG 8 -5.604 -4.749 4.865
633 1HD ARG 8 1HD ARG 8 -7.496 -3.945 6.230
634 2HD ARG 8 2HD ARG 8 -8.545 -5.110 5.424
635 HE ARG 8 HE ARG 8 -7.783 -6.661 6.892
636 1HH1 ARG 8 1HH1 ARG 8 -5.307 -4.233 6.529
637 2HH1 ARG 8 2HH1 ARG 8 -4.231 -4.979 7.662
638 1HH2 ARG 8 1HH2 ARG 8 -6.373 -7.648 8.380
639 2HH2 ARG 8 2HH2 ARG 8 -4.837 -6.919 8.715
640 H SER 10 H SER 10 -7.884 -0.964 1.759
641 HA SER 10 HA SER 10 -9.484 0.168 2.933
642 1HB SER 10 1HB SER 10 -8.239 2.014 1.928
643 2HB SER 10 2HB SER 10 -9.252 1.935 0.485
644 HG SER 10 HG SER 10 -10.408 3.347 1.538
645 H THR 11 H THR 11 -10.688 -1.953 1.702
646 HA THR 11 HA THR 11 -12.848 -1.379 0.020
647 HB THR 11 HB THR 11 -12.696 -3.541 2.133
648 HG1 THR 11 HG1 THR 11 -12.043 -4.793 0.212
649 1HG2 THR 11 1HG2 THR 11 -14.468 -3.164 -0.278
650 2HG2 THR 11 2HG2 THR 11 -14.243 -4.726 0.512
651 3HG2 THR 11 3HG2 THR 11 -14.952 -3.380 1.405
652 H GLY 12 H GLY 12 -12.778 -1.692 3.569
653 1HA GLY 12 1HA GLY 12 -14.396 -1.131 5.135
654 2HA GLY 12 2HA GLY 12 -15.486 -0.718 3.819
655 H GLY 13 H GLY 13 -14.320 0.600 6.415
656 1HA GLY 13 1HA GLY 13 -12.973 2.945 5.634
657 2HA GLY 13 2HA GLY 13 -13.862 2.729 7.132
658 H LYS 14 H LYS 14 -16.431 2.310 6.111
659 HA LYS 14 HA LYS 14 -17.189 4.303 4.238
660 1HB LYS 14 1HB LYS 14 -18.870 2.908 6.329
661 2HB LYS 14 2HB LYS 14 -19.486 3.808 4.950
662 1HG LYS 14 1HG LYS 14 -18.462 2.201 3.431
663 2HG LYS 14 2HG LYS 14 -17.820 1.303 4.807
664 1HD LYS 14 1HD LYS 14 -20.108 0.888 5.589
665 2HD LYS 14 2HD LYS 14 -20.738 1.768 4.196
666 1HE LYS 14 1HE LYS 14 -19.698 0.136 2.698
667 2HE LYS 14 2HE LYS 14 -19.067 -0.742 4.092
668 1HZ LYS 14 1HZ LYS 14 -21.609 -0.724 4.734
669 2HZ LYS 14 2HZ LYS 14 -21.795 -0.612 3.057
670 3HZ LYS 14 3HZ LYS 14 -20.955 -1.916 3.729
671 H ALA 15 H ALA 15 -17.560 6.416 4.501
672 HA ALA 15 HA ALA 15 -18.581 7.621 6.831
673 1HB ALA 15 1HB ALA 15 -15.816 7.075 6.984
674 2HB ALA 15 2HB ALA 15 -16.806 8.007 8.107
675 3HB ALA 15 3HB ALA 15 -15.991 8.816 6.768
676 HA PRO 16 HA PRO 16 -19.407 10.707 3.765
677 1HB PRO 16 1HB PRO 16 -19.800 12.852 5.442
678 2HB PRO 16 2HB PRO 16 -21.017 11.618 5.102
679 1HG PRO 16 1HG PRO 16 -19.161 11.860 7.437
680 2HG PRO 16 2HG PRO 16 -20.878 11.409 7.412
681 1HD PRO 16 1HD PRO 16 -18.951 9.562 7.659
682 2HD PRO 16 2HD PRO 16 -20.424 9.240 6.719
683 H GLY 17 H GLY 17 -17.272 11.700 6.447
684 1HA GLY 17 1HA GLY 17 -16.005 13.813 5.097
685 2HA GLY 17 2HA GLY 17 -15.094 12.342 4.794
686 H GLY 18 H GLY 18 -16.802 13.448 7.711
687 1HA GLY 18 1HA GLY 18 -14.514 14.261 9.132
688 2HA GLY 18 2HA GLY 18 -14.820 12.568 9.487
No H/Q in entry = 688
Start of MODEL 6
1 H1 HIS 8 H1 HIS 8 -21.337 4.188 18.359
2 H2 HIS 8 H2 HIS 8 -21.464 3.448 19.874
3 H3 HIS 8 H3 HIS 8 -20.536 4.853 19.693
4 HA HIS 8 HA HIS 8 -18.861 3.774 18.523
5 1HB HIS 8 1HB HIS 8 -18.817 3.296 20.905
6 2HB HIS 8 2HB HIS 8 -19.930 1.950 20.690
7 HD1 HIS 8 HD1 HIS 8 -16.539 2.892 19.216
8 HD2 HIS 8 HD2 HIS 8 -18.587 -0.383 20.748
9 HE1 HIS 8 HE1 HIS 8 -14.918 0.973 19.100
10 HE2 HIS 8 HE2 HIS 8 -16.163 -0.989 20.079
11 H MET 9 H MET 9 -21.610 1.559 18.935
12 HA MET 9 HA MET 9 -20.681 -0.413 17.146
13 1HB MET 9 1HB MET 9 -23.013 -1.227 17.159
14 2HB MET 9 2HB MET 9 -22.405 -0.910 18.778
15 1HG MET 9 1HG MET 9 -23.592 1.228 18.800
16 2HG MET 9 2HG MET 9 -24.212 0.893 17.185
17 1HE MET 9 1HE MET 9 -25.343 -1.217 16.590
18 2HE MET 9 2HE MET 9 -25.101 -2.539 17.733
19 3HE MET 9 3HE MET 9 -26.704 -1.832 17.528
20 H VAL 10 H VAL 10 -20.840 -0.646 14.992
21 HA VAL 10 HA VAL 10 -21.285 1.590 13.346
22 HB VAL 10 HB VAL 10 -21.291 -1.311 12.507
23 1HG1 VAL 10 1HG1 VAL 10 -21.041 1.280 11.038
24 2HG1 VAL 10 2HG1 VAL 10 -20.262 -0.173 10.411
25 3HG1 VAL 10 3HG1 VAL 10 -22.009 -0.142 10.648
26 1HG2 VAL 10 1HG2 VAL 10 -19.300 -0.416 13.895
27 2HG2 VAL 10 2HG2 VAL 10 -18.973 -1.285 12.395
28 3HG2 VAL 10 3HG2 VAL 10 -18.890 0.477 12.430
29 H GLU 11 H GLU 11 -22.994 2.245 12.119
30 HA GLU 11 HA GLU 11 -25.600 1.452 12.931
31 1HB GLU 11 1HB GLU 11 -24.846 3.746 12.091
32 2HB GLU 11 2HB GLU 11 -24.938 3.071 10.471
33 1HG GLU 11 1HG GLU 11 -26.948 4.308 10.997
34 2HG GLU 11 2HG GLU 11 -27.310 2.593 10.800
35 H GLU 12 H GLU 12 -26.307 1.809 9.824
36 HA GLU 12 HA GLU 12 -26.797 -0.975 9.422
37 1HB GLU 12 1HB GLU 12 -27.156 1.382 7.564
38 2HB GLU 12 2HB GLU 12 -27.742 -0.244 7.245
39 1HG GLU 12 1HG GLU 12 -29.177 -0.114 9.220
40 2HG GLU 12 2HG GLU 12 -28.594 1.520 9.531
41 H VAL 13 H VAL 13 -26.382 -0.910 6.512
42 HA VAL 13 HA VAL 13 -24.847 -1.553 4.967
43 HB VAL 13 HB VAL 13 -22.912 0.077 6.620
44 1HG1 VAL 13 1HG1 VAL 13 -22.445 -1.642 4.436
45 2HG1 VAL 13 2HG1 VAL 13 -22.320 0.007 3.823
46 3HG1 VAL 13 3HG1 VAL 13 -21.322 -0.505 5.183
47 1HG2 VAL 13 1HG2 VAL 13 -25.111 1.074 5.498
48 2HG2 VAL 13 2HG2 VAL 13 -23.584 1.958 5.532
49 3HG2 VAL 13 3HG2 VAL 13 -24.063 1.081 4.078
50 H LEU 14 H LEU 14 -23.878 -3.458 4.676
51 HA LEU 14 HA LEU 14 -23.216 -5.102 6.899
52 1HB LEU 14 1HB LEU 14 -22.758 -5.471 3.940
53 2HB LEU 14 2HB LEU 14 -22.396 -6.696 5.140
54 HG LEU 14 HG LEU 14 -24.821 -6.680 5.784
55 1HD1 LEU 14 1HD1 LEU 14 -24.963 -4.824 3.429
56 2HD1 LEU 14 2HD1 LEU 14 -26.348 -5.774 3.965
57 3HD1 LEU 14 3HD1 LEU 14 -25.613 -4.597 5.052
58 1HD2 LEU 14 1HD2 LEU 14 -23.532 -8.040 3.816
59 2HD2 LEU 14 2HD2 LEU 14 -25.183 -8.361 4.348
60 3HD2 LEU 14 3HD2 LEU 14 -24.894 -7.350 2.932
61 H GLU 15 H GLU 15 -21.376 -5.235 7.981
62 HA GLU 15 HA GLU 15 -19.082 -3.712 7.160
63 1HB GLU 15 1HB GLU 15 -18.102 -4.537 9.296
64 2HB GLU 15 2HB GLU 15 -19.655 -3.739 9.497
65 1HG GLU 15 1HG GLU 15 -20.753 -5.923 9.635
66 2HG GLU 15 2HG GLU 15 -19.187 -6.712 9.456
67 H GLU 16 H GLU 16 -17.433 -5.933 8.614
68 HA GLU 16 HA GLU 16 -16.050 -7.638 8.061
69 1HB GLU 16 1HB GLU 16 -18.157 -8.266 5.988
70 2HB GLU 16 2HB GLU 16 -16.825 -9.324 6.430
71 1HG GLU 16 1HG GLU 16 -18.997 -8.401 8.298
72 2HG GLU 16 2HG GLU 16 -18.949 -9.963 7.483
73 H GLU 17 H GLU 17 -15.490 -5.108 6.970
74 HA GLU 17 HA GLU 17 -14.603 -5.631 4.233
75 1HB GLU 17 1HB GLU 17 -14.448 -3.111 5.901
76 2HB GLU 17 2HB GLU 17 -13.905 -3.246 4.237
77 1HG GLU 17 1HG GLU 17 -15.988 -2.266 4.044
78 2HG GLU 17 2HG GLU 17 -16.312 -3.968 3.723
79 H GLU 18 H GLU 18 -12.361 -3.654 4.683
80 HA GLU 18 HA GLU 18 -10.113 -3.760 4.987
81 1HB GLU 18 1HB GLU 18 -10.923 -5.230 7.468
82 2HB GLU 18 2HB GLU 18 -9.356 -4.499 7.192
83 1HG GLU 18 1HG GLU 18 -10.384 -2.300 7.096
84 2HG GLU 18 2HG GLU 18 -11.976 -3.022 7.321
85 H GLU 19 H GLU 19 -10.892 -5.635 3.190
86 HA GLU 19 HA GLU 19 -9.887 -8.234 3.924
87 1HB GLU 19 1HB GLU 19 -10.758 -7.110 1.260
88 2HB GLU 19 2HB GLU 19 -10.294 -8.783 1.531
89 1HG GLU 19 1HG GLU 19 -12.136 -9.030 3.125
90 2HG GLU 19 2HG GLU 19 -12.604 -7.357 2.829
91 H GLU 20 H GLU 20 -7.931 -9.089 3.523
92 HA GLU 20 HA GLU 20 -5.791 -7.323 2.778
93 1HB GLU 20 1HB GLU 20 -5.717 -10.297 3.318
94 2HB GLU 20 2HB GLU 20 -4.331 -9.220 3.251
95 1HG GLU 20 1HG GLU 20 -5.108 -8.039 5.212
96 2HG GLU 20 2HG GLU 20 -6.561 -9.037 5.264
97 H TYR 21 H TYR 21 -4.717 -7.204 0.880
98 HA TYR 21 HA TYR 21 -5.390 -9.167 -1.208
99 1HB TYR 21 1HB TYR 21 -5.296 -6.165 -1.419
100 2HB TYR 21 2HB TYR 21 -5.091 -7.191 -2.835
101 HD1 TYR 21 HD1 TYR 21 -7.444 -6.958 0.078
102 HD2 TYR 21 HD2 TYR 21 -6.969 -7.492 -4.117
103 HE1 TYR 21 HE1 TYR 21 -9.886 -7.099 -0.176
104 HE2 TYR 21 HE2 TYR 21 -9.410 -7.633 -4.381
105 HH TYR 21 HH TYR 21 -11.578 -6.728 -1.966
106 H VAL 22 H VAL 22 -3.733 -9.928 -2.411
107 HA VAL 22 HA VAL 22 -1.114 -9.763 -1.467
108 HB VAL 22 HB VAL 22 -1.995 -10.532 -4.254
109 1HG1 VAL 22 1HG1 VAL 22 0.595 -10.356 -3.021
110 2HG1 VAL 22 2HG1 VAL 22 0.232 -12.027 -3.452
111 3HG1 VAL 22 3HG1 VAL 22 0.172 -10.766 -4.684
112 1HG2 VAL 22 1HG2 VAL 22 -2.967 -11.720 -2.128
113 2HG2 VAL 22 2HG2 VAL 22 -2.429 -12.664 -3.518
114 3HG2 VAL 22 3HG2 VAL 22 -1.388 -12.506 -2.102
115 H VAL 23 H VAL 23 0.639 -8.550 -1.978
116 HA VAL 23 HA VAL 23 0.345 -6.502 -4.068
117 HB VAL 23 HB VAL 23 1.579 -5.962 -1.366
118 1HG1 VAL 23 1HG1 VAL 23 1.339 -4.462 -3.897
119 2HG1 VAL 23 2HG1 VAL 23 1.043 -3.548 -2.417
120 3HG1 VAL 23 3HG1 VAL 23 2.578 -4.387 -2.645
121 1HG2 VAL 23 1HG2 VAL 23 -1.184 -5.482 -2.405
122 2HG2 VAL 23 2HG2 VAL 23 -0.671 -6.105 -0.837
123 3HG2 VAL 23 3HG2 VAL 23 -0.476 -4.393 -1.212
124 H GLU 24 H GLU 24 2.113 -6.195 -5.313
125 HA GLU 24 HA GLU 24 4.213 -8.092 -5.183
126 1HB GLU 24 1HB GLU 24 3.445 -7.220 -7.315
127 2HB GLU 24 2HB GLU 24 3.943 -5.595 -6.859
128 1HG GLU 24 1HG GLU 24 6.260 -6.270 -6.838
129 2HG GLU 24 2HG GLU 24 5.805 -7.938 -7.178
130 H LYS 25 H LYS 25 4.279 -4.522 -4.769
131 HA LYS 25 HA LYS 25 6.092 -4.602 -2.607
132 1HB LYS 25 1HB LYS 25 7.668 -5.419 -4.296
133 2HB LYS 25 2HB LYS 25 7.343 -4.005 -5.290
134 1HG LYS 25 1HG LYS 25 8.233 -2.579 -3.468
135 2HG LYS 25 2HG LYS 25 8.662 -4.044 -2.584
136 1HD LYS 25 1HD LYS 25 10.600 -3.193 -3.761
137 2HD LYS 25 2HD LYS 25 10.099 -4.731 -4.465
138 1HE LYS 25 1HE LYS 25 8.970 -3.544 -6.273
139 2HE LYS 25 2HE LYS 25 9.436 -1.999 -5.562
140 1HZ LYS 25 1HZ LYS 25 11.613 -3.845 -6.068
141 2HZ LYS 25 2HZ LYS 25 10.838 -3.253 -7.451
142 3HZ LYS 25 3HZ LYS 25 11.521 -2.178 -6.338
143 H VAL 26 H VAL 26 6.409 -2.658 -1.679
144 HA VAL 26 HA VAL 26 4.703 -0.518 -2.377
145 HB VAL 26 HB VAL 26 6.535 -1.170 -0.234
146 1HG1 VAL 26 1HG1 VAL 26 6.649 1.631 -1.309
147 2HG1 VAL 26 2HG1 VAL 26 6.994 1.248 0.379
148 3HG1 VAL 26 3HG1 VAL 26 7.983 0.551 -0.905
149 1HG2 VAL 26 1HG2 VAL 26 4.018 -0.773 -0.236
150 2HG2 VAL 26 2HG2 VAL 26 4.951 -0.096 1.101
151 3HG2 VAL 26 3HG2 VAL 26 4.416 0.949 -0.221
152 H LEU 27 H LEU 27 5.076 1.333 -3.521
153 HA LEU 27 HA LEU 27 7.539 1.422 -5.064
154 1HB LEU 27 1HB LEU 27 4.917 2.869 -5.373
155 2HB LEU 27 2HB LEU 27 6.316 3.196 -6.373
156 HG LEU 27 HG LEU 27 4.847 1.768 -7.600
157 1HD1 LEU 27 1HD1 LEU 27 7.304 0.418 -6.547
158 2HD1 LEU 27 2HD1 LEU 27 6.277 -0.349 -7.758
159 3HD1 LEU 27 3HD1 LEU 27 7.045 1.200 -8.106
160 1HD2 LEU 27 1HD2 LEU 27 3.719 0.881 -5.492
161 2HD2 LEU 27 2HD2 LEU 27 3.912 -0.239 -6.841
162 3HD2 LEU 27 3HD2 LEU 27 5.004 -0.327 -5.458
163 H ASP 28 H ASP 28 5.658 3.548 -2.889
164 HA ASP 28 HA ASP 28 8.107 4.928 -2.197
165 1HB ASP 28 1HB ASP 28 5.894 6.367 -3.663
166 2HB ASP 28 2HB ASP 28 7.167 7.191 -2.770
167 H ARG 29 H ARG 29 6.599 7.318 -1.349
168 HA ARG 29 HA ARG 29 4.621 6.586 0.568
169 1HB ARG 29 1HB ARG 29 6.467 5.673 1.811
170 2HB ARG 29 2HB ARG 29 7.451 7.098 1.506
171 1HG ARG 29 1HG ARG 29 5.776 8.413 2.839
172 2HG ARG 29 2HG ARG 29 5.041 6.872 3.289
173 1HD ARG 29 1HD ARG 29 7.181 6.143 4.242
174 2HD ARG 29 2HD ARG 29 7.897 7.694 3.809
175 HE ARG 29 HE ARG 29 5.629 8.158 5.390
176 1HH1 ARG 29 1HH1 ARG 29 8.842 6.834 5.654
177 2HH1 ARG 29 2HH1 ARG 29 9.007 7.228 7.332
178 1HH2 ARG 29 1HH2 ARG 29 5.838 8.681 7.603
179 2HH2 ARG 29 2HH2 ARG 29 7.301 8.278 8.439
180 H ARG 30 H ARG 30 3.435 8.398 1.010
181 HA ARG 30 HA ARG 30 4.703 10.996 1.065
182 1HB ARG 30 1HB ARG 30 3.400 11.993 -0.716
183 2HB ARG 30 2HB ARG 30 4.345 10.650 -1.343
184 1HG ARG 30 1HG ARG 30 2.350 9.226 -1.263
185 2HG ARG 30 2HG ARG 30 1.410 10.598 -0.674
186 1HD ARG 30 1HD ARG 30 1.949 11.828 -2.729
187 2HD ARG 30 2HD ARG 30 2.848 10.432 -3.319
188 HE ARG 30 HE ARG 30 0.260 9.593 -2.689
189 1HH1 ARG 30 1HH1 ARG 30 1.871 11.679 -4.970
190 2HH1 ARG 30 2HH1 ARG 30 0.687 11.445 -6.213
191 1HH2 ARG 30 1HH2 ARG 30 -1.300 9.281 -4.321
192 2HH2 ARG 30 2HH2 ARG 30 -1.114 10.085 -5.845
193 H VAL 31 H VAL 31 3.605 12.494 2.218
194 HA VAL 31 HA VAL 31 1.072 11.624 3.430
195 HB VAL 31 HB VAL 31 2.993 13.772 4.353
196 1HG1 VAL 31 1HG1 VAL 31 0.338 12.840 5.327
197 2HG1 VAL 31 2HG1 VAL 31 1.548 13.340 6.510
198 3HG1 VAL 31 3HG1 VAL 31 1.010 14.469 5.266
199 1HG2 VAL 31 1HG2 VAL 31 3.710 11.307 4.479
200 2HG2 VAL 31 2HG2 VAL 31 3.822 12.280 5.946
201 3HG2 VAL 31 3HG2 VAL 31 2.478 11.158 5.733
202 H VAL 32 H VAL 32 -0.774 12.669 2.960
203 HA VAL 32 HA VAL 32 -0.630 14.984 1.188
204 HB VAL 32 HB VAL 32 -3.039 14.631 0.827
205 1HG1 VAL 32 1HG1 VAL 32 -1.281 13.446 -0.507
206 2HG1 VAL 32 2HG1 VAL 32 -1.531 12.040 0.528
207 3HG1 VAL 32 3HG1 VAL 32 -2.851 12.642 -0.476
208 1HG2 VAL 32 1HG2 VAL 32 -2.689 12.309 2.726
209 2HG2 VAL 32 2HG2 VAL 32 -3.660 13.755 3.004
210 3HG2 VAL 32 3HG2 VAL 32 -4.121 12.613 1.741
211 H LYS 33 H LYS 33 -1.973 14.052 4.308
212 HA LYS 33 HA LYS 33 -1.803 16.664 5.381
213 1HB LYS 33 1HB LYS 33 -4.245 17.051 5.705
214 2HB LYS 33 2HB LYS 33 -3.742 17.147 4.023
215 1HG LYS 33 1HG LYS 33 -4.577 14.881 3.643
216 2HG LYS 33 2HG LYS 33 -5.086 14.788 5.328
217 1HD LYS 33 1HD LYS 33 -7.014 15.328 4.039
218 2HD LYS 33 2HD LYS 33 -6.538 16.791 4.901
219 1HE LYS 33 1HE LYS 33 -5.829 16.173 2.035
220 2HE LYS 33 2HE LYS 33 -7.176 17.191 2.536
221 1HZ LYS 33 1HZ LYS 33 -5.226 18.388 3.836
222 2HZ LYS 33 2HZ LYS 33 -4.314 17.750 2.562
223 3HZ LYS 33 3HZ LYS 33 -5.616 18.781 2.238
224 H GLY 34 H GLY 34 -0.718 14.529 6.369
225 1HA GLY 34 1HA GLY 34 -2.365 13.876 8.716
226 2HA GLY 34 2HA GLY 34 -0.607 13.795 8.644
227 H LYS 35 H LYS 35 -2.531 12.608 6.023
228 HA LYS 35 HA LYS 35 -2.805 9.925 6.868
229 1HB LYS 35 1HB LYS 35 -2.716 10.958 4.031
230 2HB LYS 35 2HB LYS 35 -3.450 9.467 4.592
231 1HG LYS 35 1HG LYS 35 -4.368 12.255 5.240
232 2HG LYS 35 2HG LYS 35 -5.148 11.122 4.137
233 1HD LYS 35 1HD LYS 35 -4.769 10.704 7.102
234 2HD LYS 35 2HD LYS 35 -6.268 11.216 6.326
235 1HE LYS 35 1HE LYS 35 -6.318 9.117 5.058
236 2HE LYS 35 2HE LYS 35 -4.826 8.607 5.848
237 1HZ LYS 35 1HZ LYS 35 -7.176 9.337 7.468
238 2HZ LYS 35 2HZ LYS 35 -7.080 7.802 6.765
239 3HZ LYS 35 3HZ LYS 35 -5.890 8.309 7.855
240 H VAL 36 H VAL 36 -1.707 8.068 6.035
241 HA VAL 36 HA VAL 36 1.045 8.594 5.124
242 HB VAL 36 HB VAL 36 0.301 6.399 7.057
243 1HG1 VAL 36 1HG1 VAL 36 2.364 6.217 5.589
244 2HG1 VAL 36 2HG1 VAL 36 3.014 7.568 6.518
245 3HG1 VAL 36 3HG1 VAL 36 2.610 6.054 7.329
246 1HG2 VAL 36 1HG2 VAL 36 0.539 9.191 7.579
247 2HG2 VAL 36 2HG2 VAL 36 0.243 7.871 8.712
248 3HG2 VAL 36 3HG2 VAL 36 1.897 8.350 8.330
249 H GLU 37 H GLU 37 -0.450 8.169 3.110
250 HA GLU 37 HA GLU 37 -0.947 5.356 2.619
251 1HB GLU 37 1HB GLU 37 -1.899 6.114 0.491
252 2HB GLU 37 2HB GLU 37 -2.588 6.976 1.860
253 1HG GLU 37 1HG GLU 37 -1.082 8.863 1.394
254 2HG GLU 37 2HG GLU 37 -0.478 8.006 -0.021
255 H TYR 38 H TYR 38 0.297 4.016 1.551
256 HA TYR 38 HA TYR 38 2.719 5.044 0.239
257 1HB TYR 38 1HB TYR 38 2.066 2.373 1.476
258 2HB TYR 38 2HB TYR 38 3.434 2.582 0.392
259 HD1 TYR 38 HD1 TYR 38 5.440 2.705 1.473
260 HD2 TYR 38 HD2 TYR 38 2.031 4.451 3.320
261 HE1 TYR 38 HE1 TYR 38 6.839 3.407 3.366
262 HE2 TYR 38 HE2 TYR 38 3.418 5.159 5.218
263 HH TYR 38 HH TYR 38 6.420 3.949 5.861
264 H LEU 39 H LEU 39 3.351 4.175 -1.792
265 HA LEU 39 HA LEU 39 1.086 3.487 -3.467
266 1HB LEU 39 1HB LEU 39 2.782 5.147 -4.196
267 2HB LEU 39 2HB LEU 39 3.987 3.874 -4.213
268 HG LEU 39 HG LEU 39 2.943 2.778 -6.049
269 1HD1 LEU 39 1HD1 LEU 39 0.629 3.036 -5.312
270 2HD1 LEU 39 2HD1 LEU 39 0.677 4.743 -5.759
271 3HD1 LEU 39 3HD1 LEU 39 0.826 3.500 -7.003
272 1HD2 LEU 39 1HD2 LEU 39 3.029 5.763 -6.399
273 2HD2 LEU 39 2HD2 LEU 39 4.292 4.590 -6.774
274 3HD2 LEU 39 3HD2 LEU 39 2.816 4.636 -7.740
275 H LEU 40 H LEU 40 0.766 1.513 -4.479
276 HA LEU 40 HA LEU 40 2.789 -0.562 -4.205
277 1HB LEU 40 1HB LEU 40 0.037 -0.856 -3.008
278 2HB LEU 40 2HB LEU 40 1.193 -2.155 -3.189
279 HG LEU 40 HG LEU 40 2.711 -0.514 -1.753
280 1HD1 LEU 40 1HD1 LEU 40 0.067 0.634 -1.616
281 2HD1 LEU 40 2HD1 LEU 40 0.695 0.211 -0.024
282 3HD1 LEU 40 3HD1 LEU 40 1.617 1.284 -1.077
283 1HD2 LEU 40 1HD2 LEU 40 0.535 -2.302 -0.676
284 2HD2 LEU 40 2HD2 LEU 40 2.195 -2.758 -1.065
285 3HD2 LEU 40 3HD2 LEU 40 1.872 -1.668 0.284
286 H LYS 41 H LYS 41 2.767 -1.992 -5.844
287 HA LYS 41 HA LYS 41 0.809 -1.632 -7.948
288 1HB LYS 41 1HB LYS 41 3.369 -2.088 -8.194
289 2HB LYS 41 2HB LYS 41 2.928 -3.767 -7.925
290 1HG LYS 41 1HG LYS 41 1.848 -2.019 -10.128
291 2HG LYS 41 2HG LYS 41 3.135 -3.210 -10.306
292 1HD LYS 41 1HD LYS 41 0.335 -3.845 -9.389
293 2HD LYS 41 2HD LYS 41 0.902 -4.016 -11.052
294 1HE LYS 41 1HE LYS 41 2.045 -5.440 -8.650
295 2HE LYS 41 2HE LYS 41 0.947 -6.149 -9.833
296 1HZ LYS 41 1HZ LYS 41 2.842 -5.268 -11.447
297 2HZ LYS 41 2HZ LYS 41 3.783 -5.539 -10.066
298 3HZ LYS 41 3HZ LYS 41 2.889 -6.805 -10.742
299 H TRP 42 H TRP 42 -1.015 -2.817 -8.125
300 HA TRP 42 HA TRP 42 -1.311 -5.107 -6.331
301 1HB TRP 42 1HB TRP 42 -3.507 -3.729 -7.870
302 2HB TRP 42 2HB TRP 42 -3.661 -4.767 -6.453
303 HD1 TRP 42 HD1 TRP 42 -2.750 -1.206 -7.477
304 HE1 TRP 42 HE1 TRP 42 -2.633 0.268 -5.371
305 HE3 TRP 42 HE3 TRP 42 -3.219 -4.834 -3.900
306 HZ2 TRP 42 HZ2 TRP 42 -2.728 -0.054 -2.578
307 HZ3 TRP 42 HZ3 TRP 42 -3.190 -4.162 -1.532
308 HH2 TRP 42 HH2 TRP 42 -2.945 -1.819 -0.884
309 H LYS 43 H LYS 43 -1.708 -7.121 -6.955
310 HA LYS 43 HA LYS 43 -1.059 -7.954 -9.574
311 1HB LYS 43 1HB LYS 43 -0.617 -9.357 -7.639
312 2HB LYS 43 2HB LYS 43 -2.334 -9.455 -7.282
313 1HG LYS 43 1HG LYS 43 -2.703 -10.673 -9.364
314 2HG LYS 43 2HG LYS 43 -0.979 -10.570 -9.728
315 1HD LYS 43 1HD LYS 43 -0.456 -11.871 -7.746
316 2HD LYS 43 2HD LYS 43 -2.162 -11.914 -7.298
317 1HE LYS 43 1HE LYS 43 -1.479 -14.007 -8.343
318 2HE LYS 43 2HE LYS 43 -2.668 -13.165 -9.334
319 1HZ LYS 43 1HZ LYS 43 0.044 -12.485 -9.988
320 2HZ LYS 43 2HZ LYS 43 -0.293 -14.129 -10.206
321 3HZ LYS 43 3HZ LYS 43 -1.224 -12.961 -11.002
322 H GLY 44 H GLY 44 -2.348 -9.002 -11.137
323 1HA GLY 44 1HA GLY 44 -5.238 -8.943 -10.868
324 2HA GLY 44 2HA GLY 44 -4.327 -9.612 -12.213
325 H PHE 45 H PHE 45 -4.509 -6.375 -10.731
326 HA PHE 45 HA PHE 45 -5.821 -5.233 -12.986
327 1HB PHE 45 1HB PHE 45 -4.465 -4.025 -10.577
328 2HB PHE 45 2HB PHE 45 -5.194 -3.040 -11.839
329 HD1 PHE 45 HD1 PHE 45 -7.092 -2.077 -10.988
330 HD2 PHE 45 HD2 PHE 45 -6.338 -6.187 -10.177
331 HE1 PHE 45 HE1 PHE 45 -9.277 -2.254 -9.874
332 HE2 PHE 45 HE2 PHE 45 -8.525 -6.372 -9.064
333 HZ PHE 45 HZ PHE 45 -9.998 -4.404 -8.911
334 H SER 46 H SER 46 -3.514 -2.996 -12.284
335 HA SER 46 HA SER 46 -1.428 -3.934 -14.035
336 1HB SER 46 1HB SER 46 -1.687 -2.111 -15.683
337 2HB SER 46 2HB SER 46 -3.082 -3.190 -15.683
338 HG SER 46 HG SER 46 -3.532 -0.863 -15.675
339 H ASP 47 H ASP 47 0.432 -2.639 -13.968
340 HA ASP 47 HA ASP 47 1.095 -1.467 -11.585
341 1HB ASP 47 1HB ASP 47 2.228 -0.760 -14.302
342 2HB ASP 47 2HB ASP 47 3.006 -0.450 -12.753
343 H GLU 48 H GLU 48 -0.003 0.214 -14.521
344 HA GLU 48 HA GLU 48 0.170 2.817 -13.579
345 1HB GLU 48 1HB GLU 48 -1.819 1.633 -15.521
346 2HB GLU 48 2HB GLU 48 -1.510 3.349 -15.312
347 1HG GLU 48 1HG GLU 48 0.808 3.016 -16.021
348 2HG GLU 48 2HG GLU 48 0.481 1.299 -16.249
349 H ASP 49 H ASP 49 -2.446 0.461 -13.211
350 HA ASP 49 HA ASP 49 -4.208 2.328 -11.943
351 1HB ASP 49 1HB ASP 49 -4.282 -0.655 -12.332
352 2HB ASP 49 2HB ASP 49 -5.517 0.205 -11.424
353 H ASN 50 H ASN 50 -1.666 2.192 -10.605
354 HA ASN 50 HA ASN 50 -2.125 0.677 -8.178
355 1HB ASN 50 1HB ASN 50 0.028 1.708 -7.423
356 2HB ASN 50 2HB ASN 50 0.156 0.785 -8.915
357 1HD2 ASN 50 1HD2 ASN 50 1.641 1.713 -10.110
358 2HD2 ASN 50 2HD2 ASN 50 1.760 3.400 -10.458
359 H THR 51 H THR 51 -2.660 1.496 -6.180
360 HA THR 51 HA THR 51 -3.250 4.376 -6.038
361 HB THR 51 HB THR 51 -5.370 3.223 -6.438
362 HG1 THR 51 HG1 THR 51 -6.148 4.666 -5.114
363 1HG2 THR 51 1HG2 THR 51 -4.294 1.362 -4.485
364 2HG2 THR 51 2HG2 THR 51 -5.929 1.881 -4.073
365 3HG2 THR 51 3HG2 THR 51 -5.606 1.144 -5.643
366 H TRP 52 H TRP 52 -2.606 5.365 -4.219
367 HA TRP 52 HA TRP 52 -1.007 3.942 -2.336
368 1HB TRP 52 1HB TRP 52 -2.015 6.785 -2.130
369 2HB TRP 52 2HB TRP 52 -0.635 6.083 -1.309
370 HD1 TRP 52 HD1 TRP 52 -1.633 6.415 -5.066
371 HE1 TRP 52 HE1 TRP 52 0.462 7.174 -6.357
372 HE3 TRP 52 HE3 TRP 52 1.664 6.667 -1.182
373 HZ2 TRP 52 HZ2 TRP 52 3.152 7.809 -5.796
374 HZ3 TRP 52 HZ3 TRP 52 3.970 7.355 -1.636
375 HH2 TRP 52 HH2 TRP 52 4.707 7.914 -3.897
376 H GLU 53 H GLU 53 -1.648 2.961 -0.525
377 HA GLU 53 HA GLU 53 -4.331 3.589 0.515
378 1HB GLU 53 1HB GLU 53 -2.766 1.028 0.855
379 2HB GLU 53 2HB GLU 53 -4.417 1.323 1.382
380 1HG GLU 53 1HG GLU 53 -3.455 1.275 -1.469
381 2HG GLU 53 2HG GLU 53 -4.342 -0.010 -0.652
382 HA PRO 54 HA PRO 54 -2.674 5.201 4.269
383 1HB PRO 54 1HB PRO 54 -4.478 3.996 6.032
384 2HB PRO 54 2HB PRO 54 -4.695 5.553 5.229
385 1HG PRO 54 1HG PRO 54 -5.779 2.874 4.502
386 2HG PRO 54 2HG PRO 54 -6.530 4.472 4.346
387 1HD PRO 54 1HD PRO 54 -5.529 3.185 2.220
388 2HD PRO 54 2HD PRO 54 -5.398 4.949 2.379
389 H GLU 55 H GLU 55 -1.124 4.590 5.638
390 HA GLU 55 HA GLU 55 0.039 2.079 5.545
391 1HB GLU 55 1HB GLU 55 1.286 4.023 6.261
392 2HB GLU 55 2HB GLU 55 0.247 4.226 7.666
393 1HG GLU 55 1HG GLU 55 2.418 3.255 8.237
394 2HG GLU 55 2HG GLU 55 1.080 2.177 8.625
395 H GLU 56 H GLU 56 -2.287 3.382 7.867
396 HA GLU 56 HA GLU 56 -2.222 1.367 9.777
397 1HB GLU 56 1HB GLU 56 -4.635 2.923 8.826
398 2HB GLU 56 2HB GLU 56 -4.513 2.049 10.345
399 1HG GLU 56 1HG GLU 56 -2.744 3.543 11.084
400 2HG GLU 56 2HG GLU 56 -2.817 4.404 9.548
401 H ASN 57 H ASN 57 -4.042 1.552 6.755
402 HA ASN 57 HA ASN 57 -5.465 -0.878 7.098
403 1HB ASN 57 1HB ASN 57 -4.818 0.749 4.638
404 2HB ASN 57 2HB ASN 57 -5.870 -0.663 4.622
405 1HD2 ASN 57 1HD2 ASN 57 -7.904 -0.075 4.523
406 2HD2 ASN 57 2HD2 ASN 57 -8.631 1.244 5.368
407 H LEU 58 H LEU 58 -2.425 -0.047 5.517
408 HA LEU 58 HA LEU 58 -1.930 -2.370 4.119
409 1HB LEU 58 1HB LEU 58 0.189 -0.833 5.607
410 2HB LEU 58 2HB LEU 58 0.387 -1.784 4.149
411 HG LEU 58 HG LEU 58 -0.911 0.911 4.453
412 1HD1 LEU 58 1HD1 LEU 58 1.641 0.229 3.868
413 2HD1 LEU 58 2HD1 LEU 58 0.935 0.320 2.254
414 3HD1 LEU 58 3HD1 LEU 58 0.855 1.715 3.332
415 1HD2 LEU 58 1HD2 LEU 58 -1.630 -1.192 2.595
416 2HD2 LEU 58 2HD2 LEU 58 -2.406 0.361 2.905
417 3HD2 LEU 58 3HD2 LEU 58 -1.058 0.258 1.772
418 H ASP 59 H ASP 59 -1.249 -4.371 4.567
419 HA ASP 59 HA ASP 59 -0.509 -5.027 7.339
420 1HB ASP 59 1HB ASP 59 -2.897 -5.667 6.795
421 2HB ASP 59 2HB ASP 59 -2.251 -6.774 5.583
422 H CYS 60 H CYS 60 1.365 -4.502 5.472
423 HA CYS 60 HA CYS 60 2.626 -7.099 5.118
424 1HB CYS 60 1HB CYS 60 3.220 -6.572 2.756
425 2HB CYS 60 2HB CYS 60 1.495 -6.828 3.004
426 HG CYS 60 HG CYS 60 3.049 -3.807 2.598
427 HA PRO 61 HA PRO 61 5.288 -3.501 6.730
428 1HB PRO 61 1HB PRO 61 6.262 -5.892 8.233
429 2HB PRO 61 2HB PRO 61 6.036 -4.229 8.788
430 1HG PRO 61 1HG PRO 61 4.287 -6.118 9.448
431 2HG PRO 61 2HG PRO 61 3.744 -4.481 9.035
432 1HD PRO 61 1HD PRO 61 3.606 -6.987 7.426
433 2HD PRO 61 2HD PRO 61 2.473 -5.623 7.492
434 H ASP 62 H ASP 62 5.767 -6.689 5.420
435 HA ASP 62 HA ASP 62 8.522 -6.749 5.083
436 1HB ASP 62 1HB ASP 62 6.381 -7.872 3.264
437 2HB ASP 62 2HB ASP 62 8.085 -8.314 3.213
438 H LEU 63 H LEU 63 6.031 -5.396 2.918
439 HA LEU 63 HA LEU 63 7.819 -4.582 0.890
440 1HB LEU 63 1HB LEU 63 5.194 -3.281 1.606
441 2HB LEU 63 2HB LEU 63 6.017 -3.213 0.061
442 HG LEU 63 HG LEU 63 4.672 -5.617 1.289
443 1HD1 LEU 63 1HD1 LEU 63 3.930 -3.558 -0.639
444 2HD1 LEU 63 2HD1 LEU 63 3.651 -5.206 -1.201
445 3HD1 LEU 63 3HD1 LEU 63 2.917 -4.653 0.304
446 1HD2 LEU 63 1HD2 LEU 63 6.200 -5.407 -1.301
447 2HD2 LEU 63 2HD2 LEU 63 6.703 -6.310 0.128
448 3HD2 LEU 63 3HD2 LEU 63 5.259 -6.798 -0.761
449 H ILE 64 H ILE 64 6.457 -2.933 3.697
450 HA ILE 64 HA ILE 64 7.461 -0.380 3.285
451 HB ILE 64 HB ILE 64 7.127 -1.805 5.931
452 1HG1 ILE 64 1HG1 ILE 64 5.175 -0.035 4.443
453 2HG1 ILE 64 2HG1 ILE 64 5.116 -1.794 4.427
454 1HG2 ILE 64 1HG2 ILE 64 8.344 0.592 5.512
455 2HG2 ILE 64 2HG2 ILE 64 6.671 1.088 5.764
456 3HG2 ILE 64 3HG2 ILE 64 7.503 0.138 6.994
457 1HD1 ILE 64 1HD1 ILE 64 4.891 -1.692 6.928
458 2HD1 ILE 64 2HD1 ILE 64 4.665 0.049 6.752
459 3HD1 ILE 64 3HD1 ILE 64 3.525 -1.068 6.001
460 H ALA 65 H ALA 65 8.974 -3.192 4.820
461 HA ALA 65 HA ALA 65 11.374 -1.883 5.567
462 1HB ALA 65 1HB ALA 65 11.807 -4.667 5.004
463 2HB ALA 65 2HB ALA 65 10.279 -4.455 5.858
464 3HB ALA 65 3HB ALA 65 11.775 -3.836 6.559
465 H GLU 66 H GLU 66 10.359 -3.717 2.730
466 HA GLU 66 HA GLU 66 12.783 -3.823 1.357
467 1HB GLU 66 1HB GLU 66 9.931 -3.711 0.350
468 2HB GLU 66 2HB GLU 66 11.316 -3.978 -0.705
469 1HG GLU 66 1HG GLU 66 11.884 -5.992 0.591
470 2HG GLU 66 2HG GLU 66 10.448 -5.732 1.580
471 H PHE 67 H PHE 67 10.336 -1.311 1.518
472 HA PHE 67 HA PHE 67 11.305 0.358 -0.514
473 1HB PHE 67 1HB PHE 67 9.082 0.587 0.460
474 2HB PHE 67 2HB PHE 67 9.781 1.026 2.011
475 HD1 PHE 67 HD1 PHE 67 10.391 2.172 -1.495
476 HD2 PHE 67 HD2 PHE 67 9.345 3.195 2.497
477 HE1 PHE 67 HE1 PHE 67 10.316 4.547 -2.129
478 HE2 PHE 67 HE2 PHE 67 9.273 5.566 1.887
479 HZ PHE 67 HZ PHE 67 9.759 6.255 -0.435
480 H LEU 68 H LEU 68 11.727 0.726 3.024
481 HA LEU 68 HA LEU 68 13.560 2.821 2.852
482 1HB LEU 68 1HB LEU 68 12.933 0.844 5.019
483 2HB LEU 68 2HB LEU 68 14.093 2.143 5.238
484 HG LEU 68 HG LEU 68 12.348 3.797 4.814
485 1HD1 LEU 68 1HD1 LEU 68 10.869 1.468 3.922
486 2HD1 LEU 68 2HD1 LEU 68 9.955 2.481 5.039
487 3HD1 LEU 68 3HD1 LEU 68 10.624 3.177 3.563
488 1HD2 LEU 68 1HD2 LEU 68 11.686 1.740 6.893
489 2HD2 LEU 68 2HD2 LEU 68 12.679 3.184 7.091
490 3HD2 LEU 68 3HD2 LEU 68 10.944 3.338 6.810
491 H GLN 69 H GLN 69 14.074 -0.559 2.354
492 HA GLN 69 HA GLN 69 16.671 -0.940 3.202
493 1HB GLN 69 1HB GLN 69 15.246 -1.965 0.753
494 2HB GLN 69 2HB GLN 69 16.903 -2.428 1.116
495 1HG GLN 69 1HG GLN 69 16.112 -3.263 3.326
496 2HG GLN 69 2HG GLN 69 14.462 -2.946 2.793
497 1HE2 GLN 69 1HE2 GLN 69 13.497 -4.767 2.264
498 2HE2 GLN 69 2HE2 GLN 69 14.201 -6.079 1.387
499 H SER 70 H SER 70 15.521 0.754 0.342
500 HA SER 70 HA SER 70 18.121 1.243 -0.743
501 1HB SER 70 1HB SER 70 16.949 2.825 -2.237
502 2HB SER 70 2HB SER 70 16.124 1.267 -2.174
503 HG SER 70 HG SER 70 15.407 3.623 -0.760
504 H GLN 71 H GLN 71 15.894 2.962 1.358
505 HA GLN 71 HA GLN 71 17.208 5.444 1.452
506 1HB GLN 71 1HB GLN 71 15.540 4.116 3.591
507 2HB GLN 71 2HB GLN 71 15.930 5.829 3.502
508 1HG GLN 71 1HG GLN 71 14.383 4.333 1.412
509 2HG GLN 71 2HG GLN 71 13.651 5.260 2.720
510 1HE2 GLN 71 1HE2 GLN 71 14.275 5.369 -0.419
511 2HE2 GLN 71 2HE2 GLN 71 14.500 7.065 -0.649
512 H LYS 72 H LYS 72 18.202 2.448 2.561
513 HA LYS 72 HA LYS 72 19.357 2.678 4.986
514 1HB LYS 72 1HB LYS 72 19.482 0.671 3.579
515 2HB LYS 72 2HB LYS 72 20.663 1.466 2.545
516 1HG LYS 72 1HG LYS 72 22.279 1.501 4.307
517 2HG LYS 72 2HG LYS 72 21.090 0.928 5.477
518 1HD LYS 72 1HD LYS 72 22.007 -0.626 3.060
519 2HD LYS 72 2HD LYS 72 22.638 -0.848 4.694
520 1HE LYS 72 1HE LYS 72 19.778 -1.242 3.818
521 2HE LYS 72 2HE LYS 72 20.940 -2.519 4.176
522 1HZ LYS 72 1HZ LYS 72 21.007 -1.041 6.421
523 2HZ LYS 72 2HZ LYS 72 19.382 -0.893 5.977
524 3HZ LYS 72 3HZ LYS 72 20.059 -2.426 6.214
525 H THR 73 H THR 73 20.663 4.032 1.990
526 HA THR 73 HA THR 73 22.025 6.107 3.351
527 HB THR 73 HB THR 73 23.617 4.393 3.975
528 HG1 THR 73 HG1 THR 73 24.930 6.015 3.608
529 1HG2 THR 73 1HG2 THR 73 23.710 3.775 1.025
530 2HG2 THR 73 2HG2 THR 73 24.912 3.203 2.182
531 3HG2 THR 73 3HG2 THR 73 23.230 2.698 2.335
532 H ALA 74 H ALA 74 20.250 6.261 1.354
533 HA ALA 74 HA ALA 74 19.866 7.196 -0.684
534 1HB ALA 74 1HB ALA 74 22.632 8.086 -0.057
535 2HB ALA 74 2HB ALA 74 22.028 8.337 -1.696
536 3HB ALA 74 3HB ALA 74 21.169 9.035 -0.323
537 H HIS 75 H HIS 75 19.718 4.776 -1.147
538 HA HIS 75 HA HIS 75 21.544 3.178 -2.334
539 1HB HIS 75 1HB HIS 75 19.214 2.518 -1.951
540 2HB HIS 75 2HB HIS 75 18.689 3.569 -3.262
541 HD1 HIS 75 HD1 HIS 75 20.164 2.867 -5.629
542 HD2 HIS 75 HD2 HIS 75 19.289 -0.033 -2.787
543 HE1 HIS 75 HE1 HIS 75 20.334 0.669 -6.839
544 HE2 HIS 75 HE2 HIS 75 19.667 -1.059 -5.130
545 H GLU 76 H GLU 76 19.755 5.792 -3.925
546 HA GLU 76 HA GLU 76 21.839 6.408 -5.715
547 1HB GLU 76 1HB GLU 76 21.174 4.309 -6.802
548 2HB GLU 76 2HB GLU 76 19.521 4.892 -6.933
549 1HG GLU 76 1HG GLU 76 20.268 6.689 -8.407
550 2HG GLU 76 2HG GLU 76 21.927 6.107 -8.272
551 H THR 77 H THR 77 18.287 6.355 -5.487
552 HA THR 77 HA THR 77 17.999 9.107 -5.095
553 HB THR 77 HB THR 77 18.771 9.423 -7.367
554 HG1 THR 77 HG1 THR 77 16.479 10.274 -6.443
555 1HG2 THR 77 1HG2 THR 77 16.559 7.519 -8.144
556 2HG2 THR 77 2HG2 THR 77 17.507 8.481 -9.278
557 3HG2 THR 77 3HG2 THR 77 18.293 7.240 -8.302
558 H ASP 78 H ASP 78 15.993 9.509 -4.361
559 HA ASP 78 HA ASP 78 14.159 7.397 -4.001
560 1HB ASP 78 1HB ASP 78 12.652 9.132 -3.090
561 2HB ASP 78 2HB ASP 78 14.280 9.256 -2.430
562 H LYS 79 H LYS 79 12.474 6.708 -5.172
563 HA LYS 79 HA LYS 79 12.086 7.796 -7.812
564 1HB LYS 79 1HB LYS 79 10.689 5.525 -6.389
565 2HB LYS 79 2HB LYS 79 10.499 5.924 -8.090
566 1HG LYS 79 1HG LYS 79 12.850 5.439 -8.485
567 2HG LYS 79 2HG LYS 79 13.069 5.073 -6.773
568 1HD LYS 79 1HD LYS 79 11.475 3.231 -6.958
569 2HD LYS 79 2HD LYS 79 11.234 3.605 -8.665
570 1HE LYS 79 1HE LYS 79 12.774 1.735 -8.386
571 2HE LYS 79 2HE LYS 79 13.586 3.123 -9.108
572 1HZ LYS 79 1HZ LYS 79 13.679 2.602 -6.198
573 2HZ LYS 79 2HZ LYS 79 14.795 1.907 -7.262
574 3HZ LYS 79 3HZ LYS 79 14.697 3.590 -7.122
575 H SER 80 H SER 80 11.388 9.701 -5.915
576 HA SER 80 HA SER 80 8.641 9.735 -5.274
577 1HB SER 80 1HB SER 80 8.970 12.145 -4.855
578 2HB SER 80 2HB SER 80 10.255 11.180 -4.131
579 HG SER 80 HG SER 80 10.790 11.973 -6.697
580 H1 ALA 1 H1 ALA 1 1.138 -20.623 3.442
581 H2 ALA 1 H2 ALA 1 0.060 -20.666 2.138
582 H3 ALA 1 H3 ALA 1 1.726 -20.582 1.855
583 HA ALA 1 HA ALA 1 1.399 -18.412 1.618
584 1HB ALA 1 1HB ALA 1 -0.794 -18.018 1.410
585 2HB ALA 1 2HB ALA 1 -1.214 -19.141 2.703
586 3HB ALA 1 3HB ALA 1 -0.715 -17.496 3.092
587 H ARG 2 H ARG 2 3.120 -19.439 3.475
588 HA ARG 2 HA ARG 2 2.893 -18.463 6.086
589 1HB ARG 2 1HB ARG 2 5.401 -18.918 4.460
590 2HB ARG 2 2HB ARG 2 5.337 -18.741 6.208
591 1HG ARG 2 1HG ARG 2 4.003 -20.773 6.376
592 2HG ARG 2 2HG ARG 2 4.037 -20.945 4.620
593 1HD ARG 2 1HD ARG 2 6.423 -20.995 6.464
594 2HD ARG 2 2HD ARG 2 5.693 -22.389 5.670
595 HE ARG 2 HE ARG 2 6.388 -20.537 3.701
596 1HH1 ARG 2 1HH1 ARG 2 7.939 -22.601 6.042
597 2HH1 ARG 2 2HH1 ARG 2 9.380 -22.800 5.101
598 1HH2 ARG 2 1HH2 ARG 2 8.281 -20.794 2.456
599 2HH2 ARG 2 2HH2 ARG 2 9.575 -21.773 3.064
600 H THR 3 H THR 3 3.155 -16.536 6.988
601 HA THR 3 HA THR 3 3.126 -14.240 7.045
602 HB THR 3 HB THR 3 5.399 -14.801 7.716
603 HG1 THR 3 HG1 THR 3 6.375 -12.743 6.967
604 1HG2 THR 3 1HG2 THR 3 5.881 -14.832 4.766
605 2HG2 THR 3 2HG2 THR 3 7.187 -14.364 5.854
606 3HG2 THR 3 3HG2 THR 3 6.440 -15.954 6.006
607 H GLN 5 H GLN 5 3.134 -11.793 1.779
608 HA GLN 5 HA GLN 5 2.332 -9.634 3.504
609 1HB GLN 5 1HB GLN 5 3.529 -8.214 1.865
610 2HB GLN 5 2HB GLN 5 4.509 -9.553 2.444
611 1HG GLN 5 1HG GLN 5 3.859 -10.795 0.361
612 2HG GLN 5 2HG GLN 5 3.144 -9.292 -0.219
613 1HE2 GLN 5 1HE2 GLN 5 5.770 -8.573 1.693
614 2HE2 GLN 5 2HE2 GLN 5 6.960 -8.391 0.457
615 H THR 6 H THR 6 0.521 -8.479 3.357
616 HA THR 6 HA THR 6 -0.786 -8.049 0.794
617 HB THR 6 HB THR 6 -2.999 -8.803 1.629
618 HG1 THR 6 HG1 THR 6 -2.796 -8.843 3.814
619 1HG2 THR 6 1HG2 THR 6 -1.272 -10.288 0.347
620 2HG2 THR 6 2HG2 THR 6 -1.197 -11.171 1.873
621 3HG2 THR 6 3HG2 THR 6 -2.733 -11.012 1.022
622 H ALA 7 H ALA 7 -1.511 -6.011 0.726
623 HA ALA 7 HA ALA 7 -2.009 -4.641 3.283
624 1HB ALA 7 1HB ALA 7 -0.156 -3.790 1.748
625 2HB ALA 7 2HB ALA 7 -1.337 -2.608 2.321
626 3HB ALA 7 3HB ALA 7 -1.452 -3.249 0.681
627 H ARG 8 H ARG 8 -4.032 -4.074 3.729
628 HA ARG 8 HA ARG 8 -6.197 -4.760 2.104
629 1HB ARG 8 1HB ARG 8 -6.084 -2.791 4.393
630 2HB ARG 8 2HB ARG 8 -7.560 -3.442 3.692
631 1HG ARG 8 1HG ARG 8 -6.996 -5.658 4.407
632 2HG ARG 8 2HG ARG 8 -5.409 -5.117 4.965
633 1HD ARG 8 1HD ARG 8 -6.501 -3.662 6.613
634 2HD ARG 8 2HD ARG 8 -8.076 -4.237 6.068
635 HE ARG 8 HE ARG 8 -6.554 -6.460 6.791
636 1HH1 ARG 8 1HH1 ARG 8 -7.984 -3.655 8.283
637 2HH1 ARG 8 2HH1 ARG 8 -8.213 -4.427 9.817
638 1HH2 ARG 8 1HH2 ARG 8 -6.851 -7.486 8.807
639 2HH2 ARG 8 2HH2 ARG 8 -7.568 -6.604 10.115
640 H SER 10 H SER 10 -6.902 -0.402 1.796
641 HA SER 10 HA SER 10 -8.052 1.190 2.935
642 1HB SER 10 1HB SER 10 -9.212 1.707 0.188
643 2HB SER 10 2HB SER 10 -9.449 2.763 1.581
644 HG SER 10 HG SER 10 -7.116 2.921 1.664
645 H THR 11 H THR 11 -9.030 -0.982 3.734
646 HA THR 11 HA THR 11 -10.805 -2.150 4.533
647 HB THR 11 HB THR 11 -12.774 -0.885 5.214
648 HG1 THR 11 HG1 THR 11 -12.380 1.556 4.582
649 1HG2 THR 11 1HG2 THR 11 -10.091 -0.263 5.907
650 2HG2 THR 11 2HG2 THR 11 -11.023 1.235 5.929
651 3HG2 THR 11 3HG2 THR 11 -11.540 -0.140 6.906
652 H GLY 12 H GLY 12 -10.437 -2.689 1.900
653 1HA GLY 12 1HA GLY 12 -12.905 -3.765 1.122
654 2HA GLY 12 2HA GLY 12 -11.490 -3.628 0.091
655 H GLY 13 H GLY 13 -11.188 -0.910 -0.124
656 1HA GLY 13 1HA GLY 13 -13.464 0.611 -0.598
657 2HA GLY 13 2HA GLY 13 -13.143 -0.278 -2.079
658 H LYS 14 H LYS 14 -12.874 2.646 -0.998
659 HA LYS 14 HA LYS 14 -10.082 3.183 -1.595
660 1HB LYS 14 1HB LYS 14 -12.309 4.308 -3.306
661 2HB LYS 14 2HB LYS 14 -10.619 4.783 -3.395
662 1HG LYS 14 1HG LYS 14 -10.031 2.488 -4.061
663 2HG LYS 14 2HG LYS 14 -11.742 2.058 -4.023
664 1HD LYS 14 1HD LYS 14 -11.095 2.521 -6.298
665 2HD LYS 14 2HD LYS 14 -12.171 3.801 -5.734
666 1HE LYS 14 1HE LYS 14 -10.310 4.743 -6.978
667 2HE LYS 14 2HE LYS 14 -10.224 5.225 -5.285
668 1HZ LYS 14 1HZ LYS 14 -8.707 3.132 -5.119
669 2HZ LYS 14 2HZ LYS 14 -8.500 3.378 -6.780
670 3HZ LYS 14 3HZ LYS 14 -8.077 4.597 -5.686
671 H ALA 15 H ALA 15 -13.296 4.393 -0.823
672 HA ALA 15 HA ALA 15 -14.031 6.081 0.509
673 1HB ALA 15 1HB ALA 15 -11.900 6.809 2.122
674 2HB ALA 15 2HB ALA 15 -11.604 5.109 1.753
675 3HB ALA 15 3HB ALA 15 -13.131 5.601 2.486
676 HA PRO 16 HA PRO 16 -11.522 9.135 -2.122
677 1HB PRO 16 1HB PRO 16 -13.520 9.787 -3.852
678 2HB PRO 16 2HB PRO 16 -12.371 8.477 -4.151
679 1HG PRO 16 1HG PRO 16 -15.163 8.338 -3.077
680 2HG PRO 16 2HG PRO 16 -14.378 7.305 -4.286
681 1HD PRO 16 1HD PRO 16 -14.666 6.537 -1.718
682 2HD PRO 16 2HD PRO 16 -13.254 6.072 -2.688
683 H GLY 17 H GLY 17 -11.477 11.179 -1.413
684 1HA GLY 17 1HA GLY 17 -13.384 12.158 0.431
685 2HA GLY 17 2HA GLY 17 -13.664 12.890 -1.142
686 H GLY 18 H GLY 18 -10.653 12.022 0.551
687 1HA GLY 18 1HA GLY 18 -9.253 14.309 -0.269
688 2HA GLY 18 2HA GLY 18 -8.808 13.278 1.083
No H/Q in entry = 688
Start of MODEL 7
1 H1 HIS 8 H1 HIS 8 -24.672 -23.675 5.399
2 H2 HIS 8 H2 HIS 8 -25.386 -23.037 4.004
3 H3 HIS 8 H3 HIS 8 -23.703 -23.183 4.103
4 HA HIS 8 HA HIS 8 -23.470 -21.248 5.110
5 1HB HIS 8 1HB HIS 8 -26.427 -21.099 4.479
6 2HB HIS 8 2HB HIS 8 -25.431 -19.711 4.897
7 HD1 HIS 8 HD1 HIS 8 -26.588 -19.244 2.331
8 HD2 HIS 8 HD2 HIS 8 -23.250 -21.697 2.656
9 HE1 HIS 8 HE1 HIS 8 -25.559 -19.287 0.037
10 HE2 HIS 8 HE2 HIS 8 -23.531 -20.767 0.259
11 H MET 9 H MET 9 -25.875 -19.909 6.524
12 HA MET 9 HA MET 9 -26.469 -21.438 8.819
13 1HB MET 9 1HB MET 9 -23.997 -21.013 9.144
14 2HB MET 9 2HB MET 9 -24.382 -19.305 9.291
15 1HG MET 9 1HG MET 9 -25.760 -19.766 11.241
16 2HG MET 9 2HG MET 9 -25.422 -21.489 11.082
17 1HE MET 9 1HE MET 9 -23.979 -18.025 11.375
18 2HE MET 9 2HE MET 9 -22.519 -18.191 12.350
19 3HE MET 9 3HE MET 9 -22.487 -18.604 10.636
20 H VAL 10 H VAL 10 -25.851 -18.493 10.129
21 HA VAL 10 HA VAL 10 -28.569 -17.690 10.074
22 HB VAL 10 HB VAL 10 -26.158 -16.091 10.949
23 1HG1 VAL 10 1HG1 VAL 10 -28.776 -15.254 10.608
24 2HG1 VAL 10 2HG1 VAL 10 -28.659 -15.602 12.332
25 3HG1 VAL 10 3HG1 VAL 10 -27.540 -14.462 11.585
26 1HG2 VAL 10 1HG2 VAL 10 -26.726 -18.431 12.004
27 2HG2 VAL 10 2HG2 VAL 10 -26.266 -17.066 13.022
28 3HG2 VAL 10 3HG2 VAL 10 -27.967 -17.504 12.848
29 H GLU 11 H GLU 11 -25.642 -16.422 8.506
30 HA GLU 11 HA GLU 11 -27.061 -15.492 6.238
31 1HB GLU 11 1HB GLU 11 -26.735 -13.072 6.541
32 2HB GLU 11 2HB GLU 11 -27.812 -13.740 7.761
33 1HG GLU 11 1HG GLU 11 -25.988 -13.751 9.377
34 2HG GLU 11 2HG GLU 11 -24.897 -13.101 8.155
35 H GLU 12 H GLU 12 -25.696 -15.040 4.562
36 HA GLU 12 HA GLU 12 -23.065 -15.948 4.663
37 1HB GLU 12 1HB GLU 12 -22.798 -14.985 2.422
38 2HB GLU 12 2HB GLU 12 -24.324 -15.843 2.571
39 1HG GLU 12 1HG GLU 12 -24.155 -12.877 2.959
40 2HG GLU 12 2HG GLU 12 -24.306 -13.595 1.356
41 H VAL 13 H VAL 13 -24.369 -12.687 4.841
42 HA VAL 13 HA VAL 13 -23.510 -10.662 5.334
43 HB VAL 13 HB VAL 13 -23.314 -11.832 7.533
44 1HG1 VAL 13 1HG1 VAL 13 -20.428 -12.113 6.714
45 2HG1 VAL 13 2HG1 VAL 13 -21.024 -12.303 8.363
46 3HG1 VAL 13 3HG1 VAL 13 -21.560 -13.409 7.100
47 1HG2 VAL 13 1HG2 VAL 13 -22.631 -9.339 6.841
48 2HG2 VAL 13 2HG2 VAL 13 -22.552 -9.937 8.497
49 3HG2 VAL 13 3HG2 VAL 13 -21.093 -9.887 7.508
50 H LEU 14 H LEU 14 -22.149 -9.185 4.573
51 HA LEU 14 HA LEU 14 -20.272 -9.846 2.618
52 1HB LEU 14 1HB LEU 14 -19.669 -7.519 2.573
53 2HB LEU 14 2HB LEU 14 -21.404 -7.661 2.767
54 HG LEU 14 HG LEU 14 -19.511 -7.109 5.054
55 1HD1 LEU 14 1HD1 LEU 14 -19.716 -5.369 3.122
56 2HD1 LEU 14 2HD1 LEU 14 -21.295 -5.049 3.840
57 3HD1 LEU 14 3HD1 LEU 14 -19.832 -4.843 4.802
58 1HD2 LEU 14 1HD2 LEU 14 -22.508 -6.872 4.802
59 2HD2 LEU 14 2HD2 LEU 14 -21.635 -8.093 5.728
60 3HD2 LEU 14 3HD2 LEU 14 -21.554 -6.398 6.207
61 H GLU 15 H GLU 15 -17.963 -9.437 2.579
62 HA GLU 15 HA GLU 15 -16.518 -10.843 4.440
63 1HB GLU 15 1HB GLU 15 -15.518 -8.528 2.773
64 2HB GLU 15 2HB GLU 15 -14.513 -9.760 3.522
65 1HG GLU 15 1HG GLU 15 -16.600 -10.284 1.418
66 2HG GLU 15 2HG GLU 15 -14.872 -10.122 1.114
67 H GLU 16 H GLU 16 -15.675 -10.483 6.394
68 HA GLU 16 HA GLU 16 -16.491 -8.266 7.931
69 1HB GLU 16 1HB GLU 16 -14.310 -10.276 8.511
70 2HB GLU 16 2HB GLU 16 -15.054 -9.201 9.687
71 1HG GLU 16 1HG GLU 16 -16.516 -11.329 8.140
72 2HG GLU 16 2HG GLU 16 -15.908 -11.511 9.785
73 H GLU 17 H GLU 17 -15.562 -6.379 8.405
74 HA GLU 17 HA GLU 17 -14.207 -4.566 8.204
75 1HB GLU 17 1HB GLU 17 -12.095 -6.702 8.526
76 2HB GLU 17 2HB GLU 17 -11.806 -4.976 8.687
77 1HG GLU 17 1HG GLU 17 -13.360 -4.888 10.569
78 2HG GLU 17 2HG GLU 17 -13.650 -6.619 10.407
79 H GLU 18 H GLU 18 -11.428 -4.708 7.096
80 HA GLU 18 HA GLU 18 -12.175 -4.335 4.322
81 1HB GLU 18 1HB GLU 18 -9.570 -3.823 5.714
82 2HB GLU 18 2HB GLU 18 -9.922 -3.396 4.052
83 1HG GLU 18 1HG GLU 18 -10.188 -1.410 5.226
84 2HG GLU 18 2HG GLU 18 -11.833 -2.001 5.002
85 H GLU 19 H GLU 19 -11.632 -5.627 2.670
86 HA GLU 19 HA GLU 19 -10.622 -8.240 3.211
87 1HB GLU 19 1HB GLU 19 -12.307 -7.803 1.470
88 2HB GLU 19 2HB GLU 19 -11.125 -6.857 0.574
89 1HG GLU 19 1HG GLU 19 -9.768 -8.813 0.209
90 2HG GLU 19 2HG GLU 19 -10.840 -9.783 1.219
91 H GLU 20 H GLU 20 -8.621 -9.068 2.928
92 HA GLU 20 HA GLU 20 -6.432 -7.244 2.569
93 1HB GLU 20 1HB GLU 20 -6.483 -10.248 2.901
94 2HB GLU 20 2HB GLU 20 -5.023 -9.269 2.881
95 1HG GLU 20 1HG GLU 20 -5.762 -8.093 4.875
96 2HG GLU 20 2HG GLU 20 -7.252 -9.035 4.890
97 H TYR 21 H TYR 21 -5.278 -6.854 0.789
98 HA TYR 21 HA TYR 21 -5.804 -8.510 -1.590
99 1HB TYR 21 1HB TYR 21 -5.398 -5.546 -1.302
100 2HB TYR 21 2HB TYR 21 -5.081 -6.352 -2.834
101 HD1 TYR 21 HD1 TYR 21 -7.808 -6.793 -0.307
102 HD2 TYR 21 HD2 TYR 21 -6.766 -5.788 -4.307
103 HE1 TYR 21 HE1 TYR 21 -10.192 -6.636 -0.883
104 HE2 TYR 21 HE2 TYR 21 -9.147 -5.625 -4.893
105 HH TYR 21 HH TYR 21 -11.372 -5.116 -3.431
106 H VAL 22 H VAL 22 -4.124 -9.370 -2.658
107 HA VAL 22 HA VAL 22 -1.588 -9.531 -1.460
108 HB VAL 22 HB VAL 22 -2.285 -10.115 -4.343
109 1HG1 VAL 22 1HG1 VAL 22 0.144 -9.949 -3.776
110 2HG1 VAL 22 2HG1 VAL 22 -0.086 -11.289 -2.652
111 3HG1 VAL 22 3HG1 VAL 22 -0.363 -11.528 -4.377
112 1HG2 VAL 22 1HG2 VAL 22 -2.759 -11.614 -1.822
113 2HG2 VAL 22 2HG2 VAL 22 -3.740 -11.518 -3.284
114 3HG2 VAL 22 3HG2 VAL 22 -2.293 -12.525 -3.258
115 H VAL 23 H VAL 23 0.269 -8.410 -1.717
116 HA VAL 23 HA VAL 23 0.274 -6.230 -3.702
117 HB VAL 23 HB VAL 23 1.578 -6.181 -0.978
118 1HG1 VAL 23 1HG1 VAL 23 2.044 -4.659 -3.340
119 2HG1 VAL 23 2HG1 VAL 23 1.310 -3.604 -2.130
120 3HG1 VAL 23 3HG1 VAL 23 2.789 -4.487 -1.751
121 1HG2 VAL 23 1HG2 VAL 23 -1.056 -5.970 -1.351
122 2HG2 VAL 23 2HG2 VAL 23 -0.187 -5.028 -0.139
123 3HG2 VAL 23 3HG2 VAL 23 -0.596 -4.301 -1.694
124 H GLU 24 H GLU 24 1.967 -6.130 -5.046
125 HA GLU 24 HA GLU 24 3.875 -8.254 -5.065
126 1HB GLU 24 1HB GLU 24 2.990 -7.285 -7.138
127 2HB GLU 24 2HB GLU 24 3.737 -5.743 -6.743
128 1HG GLU 24 1HG GLU 24 5.945 -6.769 -6.887
129 2HG GLU 24 2HG GLU 24 5.201 -8.322 -7.267
130 H LYS 25 H LYS 25 4.173 -4.722 -4.631
131 HA LYS 25 HA LYS 25 6.136 -4.868 -2.626
132 1HB LYS 25 1HB LYS 25 7.623 -5.744 -4.307
133 2HB LYS 25 2HB LYS 25 7.190 -4.459 -5.425
134 1HG LYS 25 1HG LYS 25 9.366 -4.037 -4.477
135 2HG LYS 25 2HG LYS 25 8.219 -2.819 -3.917
136 1HD LYS 25 1HD LYS 25 7.950 -4.096 -1.815
137 2HD LYS 25 2HD LYS 25 9.183 -5.228 -2.377
138 1HE LYS 25 1HE LYS 25 10.181 -3.612 -0.883
139 2HE LYS 25 2HE LYS 25 10.787 -3.365 -2.520
140 1HZ LYS 25 1HZ LYS 25 8.470 -1.804 -2.089
141 2HZ LYS 25 2HZ LYS 25 9.603 -1.491 -0.872
142 3HZ LYS 25 3HZ LYS 25 10.033 -1.299 -2.497
143 H VAL 26 H VAL 26 6.423 -2.952 -1.675
144 HA VAL 26 HA VAL 26 4.788 -0.767 -2.303
145 HB VAL 26 HB VAL 26 6.776 -1.423 -0.296
146 1HG1 VAL 26 1HG1 VAL 26 6.690 1.442 -1.223
147 2HG1 VAL 26 2HG1 VAL 26 7.416 0.879 0.284
148 3HG1 VAL 26 3HG1 VAL 26 8.083 0.361 -1.266
149 1HG2 VAL 26 1HG2 VAL 26 4.236 -1.006 -0.157
150 2HG2 VAL 26 2HG2 VAL 26 5.269 -0.425 1.151
151 3HG2 VAL 26 3HG2 VAL 26 4.683 0.702 -0.081
152 H LEU 27 H LEU 27 5.201 1.203 -3.322
153 HA LEU 27 HA LEU 27 7.595 1.206 -5.017
154 1HB LEU 27 1HB LEU 27 4.954 2.602 -5.425
155 2HB LEU 27 2HB LEU 27 6.335 2.740 -6.493
156 HG LEU 27 HG LEU 27 4.873 1.212 -7.531
157 1HD1 LEU 27 1HD1 LEU 27 7.016 -0.339 -6.089
158 2HD1 LEU 27 2HD1 LEU 27 6.100 -0.933 -7.474
159 3HD1 LEU 27 3HD1 LEU 27 7.154 0.471 -7.651
160 1HD2 LEU 27 1HD2 LEU 27 4.678 -0.230 -4.892
161 2HD2 LEU 27 2HD2 LEU 27 3.419 0.746 -5.648
162 3HD2 LEU 27 3HD2 LEU 27 3.944 -0.758 -6.407
163 H ASP 28 H ASP 28 5.658 3.326 -2.897
164 HA ASP 28 HA ASP 28 8.040 4.898 -2.403
165 1HB ASP 28 1HB ASP 28 5.651 6.119 -3.788
166 2HB ASP 28 2HB ASP 28 6.910 7.066 -3.005
167 H ARG 29 H ARG 29 6.462 7.215 -1.509
168 HA ARG 29 HA ARG 29 4.657 6.370 0.546
169 1HB ARG 29 1HB ARG 29 6.682 5.667 1.655
170 2HB ARG 29 2HB ARG 29 7.472 7.193 1.284
171 1HG ARG 29 1HG ARG 29 5.774 8.328 2.726
172 2HG ARG 29 2HG ARG 29 5.202 6.728 3.202
173 1HD ARG 29 1HD ARG 29 7.452 6.190 4.034
174 2HD ARG 29 2HD ARG 29 7.994 7.806 3.586
175 HE ARG 29 HE ARG 29 6.671 7.095 5.963
176 1HH1 ARG 29 1HH1 ARG 29 6.690 9.603 3.540
177 2HH1 ARG 29 2HH1 ARG 29 6.106 10.824 4.619
178 1HH2 ARG 29 1HH2 ARG 29 5.902 8.699 7.386
179 2HH2 ARG 29 2HH2 ARG 29 5.659 10.312 6.803
180 H ARG 30 H ARG 30 3.412 8.087 1.213
181 HA ARG 30 HA ARG 30 4.401 10.794 0.976
182 1HB ARG 30 1HB ARG 30 2.694 11.567 -0.577
183 2HB ARG 30 2HB ARG 30 3.698 10.331 -1.322
184 1HG ARG 30 1HG ARG 30 1.954 8.670 -0.933
185 2HG ARG 30 2HG ARG 30 0.948 9.904 -0.169
186 1HD ARG 30 1HD ARG 30 1.906 9.902 -3.029
187 2HD ARG 30 2HD ARG 30 0.271 9.535 -2.480
188 HE ARG 30 HE ARG 30 0.987 12.076 -1.540
189 1HH1 ARG 30 1HH1 ARG 30 0.272 10.448 -4.537
190 2HH1 ARG 30 2HH1 ARG 30 -0.318 11.876 -5.319
191 1HH2 ARG 30 1HH2 ARG 30 0.211 13.959 -2.563
192 2HH2 ARG 30 2HH2 ARG 30 -0.353 13.871 -4.199
193 H VAL 31 H VAL 31 3.372 12.216 2.283
194 HA VAL 31 HA VAL 31 1.231 11.145 3.973
195 HB VAL 31 HB VAL 31 2.899 13.641 4.345
196 1HG1 VAL 31 1HG1 VAL 31 0.826 12.308 6.070
197 2HG1 VAL 31 2HG1 VAL 31 1.994 13.470 6.699
198 3HG1 VAL 31 3HG1 VAL 31 0.837 13.963 5.462
199 1HG2 VAL 31 1HG2 VAL 31 3.151 10.856 5.443
200 2HG2 VAL 31 2HG2 VAL 31 4.370 11.832 4.623
201 3HG2 VAL 31 3HG2 VAL 31 3.859 12.251 6.258
202 H VAL 32 H VAL 32 -0.795 12.062 4.075
203 HA VAL 32 HA VAL 32 -1.365 14.077 2.012
204 HB VAL 32 HB VAL 32 -3.734 13.411 2.267
205 1HG1 VAL 32 1HG1 VAL 32 -2.255 12.368 0.589
206 2HG1 VAL 32 2HG1 VAL 32 -1.888 11.085 1.743
207 3HG1 VAL 32 3HG1 VAL 32 -3.532 11.282 1.138
208 1HG2 VAL 32 1HG2 VAL 32 -2.682 12.053 4.585
209 2HG2 VAL 32 2HG2 VAL 32 -4.357 12.382 4.140
210 3HG2 VAL 32 3HG2 VAL 32 -3.551 10.934 3.535
211 H LYS 33 H LYS 33 -1.928 13.387 5.424
212 HA LYS 33 HA LYS 33 -1.943 16.143 6.137
213 1HB LYS 33 1HB LYS 33 -4.278 16.181 7.031
214 2HB LYS 33 2HB LYS 33 -4.198 16.122 5.275
215 1HG LYS 33 1HG LYS 33 -4.680 13.740 5.312
216 2HG LYS 33 2HG LYS 33 -4.712 13.763 7.077
217 1HD LYS 33 1HD LYS 33 -6.614 15.285 7.034
218 2HD LYS 33 2HD LYS 33 -6.568 15.314 5.270
219 1HE LYS 33 1HE LYS 33 -8.300 13.796 6.095
220 2HE LYS 33 2HE LYS 33 -7.050 12.926 5.205
221 1HZ LYS 33 1HZ LYS 33 -6.387 13.049 7.951
222 2HZ LYS 33 2HZ LYS 33 -7.946 12.416 7.772
223 3HZ LYS 33 3HZ LYS 33 -6.641 11.689 6.978
224 H GLY 34 H GLY 34 -0.284 14.386 7.035
225 1HA GLY 34 1HA GLY 34 -1.158 13.867 9.789
226 2HA GLY 34 2HA GLY 34 0.512 13.949 9.234
227 H LYS 35 H LYS 35 -1.927 12.231 7.459
228 HA LYS 35 HA LYS 35 -1.140 9.658 8.549
229 1HB LYS 35 1HB LYS 35 -3.221 10.480 6.526
230 2HB LYS 35 2HB LYS 35 -2.891 8.810 6.954
231 1HG LYS 35 1HG LYS 35 -3.473 9.306 9.287
232 2HG LYS 35 2HG LYS 35 -3.856 10.964 8.817
233 1HD LYS 35 1HD LYS 35 -5.623 10.191 7.369
234 2HD LYS 35 2HD LYS 35 -5.186 8.509 7.679
235 1HE LYS 35 1HE LYS 35 -7.127 9.143 8.997
236 2HE LYS 35 2HE LYS 35 -5.748 8.804 10.042
237 1HZ LYS 35 1HZ LYS 35 -5.550 11.471 9.560
238 2HZ LYS 35 2HZ LYS 35 -7.219 11.240 9.696
239 3HZ LYS 35 3HZ LYS 35 -6.194 10.769 10.957
240 H VAL 36 H VAL 36 0.136 8.237 7.560
241 HA VAL 36 HA VAL 36 1.437 9.081 5.081
242 HB VAL 36 HB VAL 36 2.888 8.493 6.955
243 1HG1 VAL 36 1HG1 VAL 36 1.193 6.770 7.828
244 2HG1 VAL 36 2HG1 VAL 36 1.994 5.643 6.731
245 3HG1 VAL 36 3HG1 VAL 36 2.912 6.424 8.019
246 1HG2 VAL 36 1HG2 VAL 36 2.930 6.881 4.454
247 2HG2 VAL 36 2HG2 VAL 36 4.051 8.119 5.020
248 3HG2 VAL 36 3HG2 VAL 36 4.094 6.503 5.723
249 H GLU 37 H GLU 37 1.532 7.813 3.237
250 HA GLU 37 HA GLU 37 0.154 5.253 3.194
251 1HB GLU 37 1HB GLU 37 -1.292 5.888 1.314
252 2HB GLU 37 2HB GLU 37 -1.655 6.823 2.758
253 1HG GLU 37 1HG GLU 37 -0.335 8.687 1.849
254 2HG GLU 37 2HG GLU 37 -0.066 7.754 0.379
255 H TYR 38 H TYR 38 1.189 3.875 1.957
256 HA TYR 38 HA TYR 38 3.289 4.871 0.174
257 1HB TYR 38 1HB TYR 38 2.820 2.142 1.385
258 2HB TYR 38 2HB TYR 38 4.112 2.503 0.248
259 HD1 TYR 38 HD1 TYR 38 6.168 2.683 1.235
260 HD2 TYR 38 HD2 TYR 38 2.770 4.084 3.368
261 HE1 TYR 38 HE1 TYR 38 7.624 3.354 3.091
262 HE2 TYR 38 HE2 TYR 38 4.212 4.765 5.234
263 HH TYR 38 HH TYR 38 7.544 3.856 5.409
264 H LEU 39 H LEU 39 3.660 3.806 -1.868
265 HA LEU 39 HA LEU 39 1.164 3.246 -3.253
266 1HB LEU 39 1HB LEU 39 2.742 4.787 -4.297
267 2HB LEU 39 2HB LEU 39 3.992 3.558 -4.272
268 HG LEU 39 HG LEU 39 2.894 2.270 -5.944
269 1HD1 LEU 39 1HD1 LEU 39 0.567 4.142 -5.591
270 2HD1 LEU 39 2HD1 LEU 39 0.701 2.932 -6.868
271 3HD1 LEU 39 3HD1 LEU 39 0.623 2.427 -5.178
272 1HD2 LEU 39 1HD2 LEU 39 3.330 5.130 -6.381
273 2HD2 LEU 39 2HD2 LEU 39 3.926 3.738 -7.285
274 3HD2 LEU 39 3HD2 LEU 39 2.303 4.356 -7.588
275 H LEU 40 H LEU 40 0.641 1.261 -4.181
276 HA LEU 40 HA LEU 40 2.588 -0.906 -3.854
277 1HB LEU 40 1HB LEU 40 -0.230 -0.936 -2.787
278 2HB LEU 40 2HB LEU 40 0.765 -2.368 -2.944
279 HG LEU 40 HG LEU 40 2.448 -1.078 -1.450
280 1HD1 LEU 40 1HD1 LEU 40 0.495 0.872 -1.677
281 2HD1 LEU 40 2HD1 LEU 40 0.313 0.226 -0.047
282 3HD1 LEU 40 3HD1 LEU 40 1.872 0.859 -0.575
283 1HD2 LEU 40 1HD2 LEU 40 0.253 -2.795 -0.886
284 2HD2 LEU 40 2HD2 LEU 40 1.785 -2.638 -0.025
285 3HD2 LEU 40 3HD2 LEU 40 0.411 -1.632 0.430
286 H LYS 41 H LYS 41 2.691 -2.245 -5.513
287 HA LYS 41 HA LYS 41 0.904 -1.915 -7.757
288 1HB LYS 41 1HB LYS 41 3.409 -2.317 -7.915
289 2HB LYS 41 2HB LYS 41 3.102 -3.967 -7.399
290 1HG LYS 41 1HG LYS 41 1.893 -2.731 -9.863
291 2HG LYS 41 2HG LYS 41 3.391 -3.659 -9.858
292 1HD LYS 41 1HD LYS 41 2.160 -5.593 -8.949
293 2HD LYS 41 2HD LYS 41 0.667 -4.654 -9.030
294 1HE LYS 41 1HE LYS 41 0.848 -6.125 -10.954
295 2HE LYS 41 2HE LYS 41 0.949 -4.439 -11.457
296 1HZ LYS 41 1HZ LYS 41 3.366 -4.669 -11.549
297 2HZ LYS 41 2HZ LYS 41 3.238 -6.300 -11.119
298 3HZ LYS 41 3HZ LYS 41 2.600 -5.761 -12.590
299 H TRP 42 H TRP 42 -0.977 -2.981 -7.913
300 HA TRP 42 HA TRP 42 -1.442 -5.272 -6.183
301 1HB TRP 42 1HB TRP 42 -3.427 -3.888 -7.988
302 2HB TRP 42 2HB TRP 42 -3.774 -4.953 -6.625
303 HD1 TRP 42 HD1 TRP 42 -2.817 -1.369 -7.459
304 HE1 TRP 42 HE1 TRP 42 -2.945 0.057 -5.319
305 HE3 TRP 42 HE3 TRP 42 -3.531 -5.095 -4.027
306 HZ2 TRP 42 HZ2 TRP 42 -3.304 -0.338 -2.554
307 HZ3 TRP 42 HZ3 TRP 42 -3.752 -4.483 -1.652
308 HH2 TRP 42 HH2 TRP 42 -3.637 -2.152 -0.932
309 H LYS 43 H LYS 43 -1.656 -7.309 -6.800
310 HA LYS 43 HA LYS 43 -0.730 -8.192 -9.294
311 1HB LYS 43 1HB LYS 43 -0.617 -9.555 -7.261
312 2HB LYS 43 2HB LYS 43 -2.371 -9.670 -7.228
313 1HG LYS 43 1HG LYS 43 -2.329 -10.889 -9.349
314 2HG LYS 43 2HG LYS 43 -0.568 -10.784 -9.369
315 1HD LYS 43 1HD LYS 43 -2.203 -12.128 -7.216
316 2HD LYS 43 2HD LYS 43 -1.392 -12.963 -8.543
317 1HE LYS 43 1HE LYS 43 -0.047 -11.289 -6.422
318 2HE LYS 43 2HE LYS 43 -0.084 -13.051 -6.471
319 1HZ LYS 43 1HZ LYS 43 0.872 -11.952 -8.919
320 2HZ LYS 43 2HZ LYS 43 1.806 -11.427 -7.609
321 3HZ LYS 43 3HZ LYS 43 1.602 -13.082 -7.894
322 H GLY 44 H GLY 44 -1.749 -8.993 -11.102
323 1HA GLY 44 1HA GLY 44 -4.626 -9.179 -11.249
324 2HA GLY 44 2HA GLY 44 -3.490 -9.479 -12.557
325 H PHE 45 H PHE 45 -4.093 -6.605 -10.544
326 HA PHE 45 HA PHE 45 -5.398 -5.140 -12.582
327 1HB PHE 45 1HB PHE 45 -4.001 -4.231 -10.057
328 2HB PHE 45 2HB PHE 45 -4.910 -3.154 -11.109
329 HD1 PHE 45 HD1 PHE 45 -6.870 -2.535 -10.108
330 HD2 PHE 45 HD2 PHE 45 -5.583 -6.576 -9.756
331 HE1 PHE 45 HE1 PHE 45 -8.936 -3.084 -8.890
332 HE2 PHE 45 HE2 PHE 45 -7.648 -7.133 -8.540
333 HZ PHE 45 HZ PHE 45 -9.328 -5.385 -8.106
334 H SER 46 H SER 46 -4.642 -3.681 -14.059
335 HA SER 46 HA SER 46 -2.142 -4.014 -15.186
336 1HB SER 46 1HB SER 46 -3.911 -1.561 -15.316
337 2HB SER 46 2HB SER 46 -2.584 -1.920 -16.420
338 HG SER 46 HG SER 46 -4.402 -2.656 -17.408
339 H ASP 47 H ASP 47 -0.181 -3.003 -15.035
340 HA ASP 47 HA ASP 47 0.710 -2.095 -12.585
341 1HB ASP 47 1HB ASP 47 1.867 -1.483 -15.314
342 2HB ASP 47 2HB ASP 47 2.717 -1.291 -13.783
343 H GLU 48 H GLU 48 -0.473 -0.223 -15.335
344 HA GLU 48 HA GLU 48 0.187 2.328 -14.390
345 1HB GLU 48 1HB GLU 48 -2.104 1.466 -16.161
346 2HB GLU 48 2HB GLU 48 -1.552 3.120 -15.955
347 1HG GLU 48 1HG GLU 48 0.618 2.521 -16.893
348 2HG GLU 48 2HG GLU 48 0.071 0.857 -17.093
349 H ASP 49 H ASP 49 -2.473 0.189 -13.646
350 HA ASP 49 HA ASP 49 -4.097 2.153 -12.361
351 1HB ASP 49 1HB ASP 49 -4.152 -0.864 -12.340
352 2HB ASP 49 2HB ASP 49 -5.348 0.138 -11.529
353 H ASN 50 H ASN 50 -1.537 2.371 -11.271
354 HA ASN 50 HA ASN 50 -1.213 0.943 -8.854
355 1HB ASN 50 1HB ASN 50 -0.082 3.523 -9.907
356 2HB ASN 50 2HB ASN 50 0.261 2.994 -8.264
357 1HD2 ASN 50 1HD2 ASN 50 -0.057 0.162 -9.636
358 2HD2 ASN 50 2HD2 ASN 50 1.540 -0.118 -10.226
359 H THR 51 H THR 51 -1.849 1.375 -6.780
360 HA THR 51 HA THR 51 -3.457 3.784 -6.307
361 HB THR 51 HB THR 51 -4.336 0.997 -5.526
362 HG1 THR 51 HG1 THR 51 -5.069 1.107 -7.528
363 1HG2 THR 51 1HG2 THR 51 -4.870 3.334 -4.203
364 2HG2 THR 51 2HG2 THR 51 -6.233 3.218 -5.316
365 3HG2 THR 51 3HG2 THR 51 -5.900 1.903 -4.188
366 H TRP 52 H TRP 52 -2.928 4.777 -4.490
367 HA TRP 52 HA TRP 52 -1.024 3.551 -2.683
368 1HB TRP 52 1HB TRP 52 -2.221 6.332 -2.627
369 2HB TRP 52 2HB TRP 52 -0.856 5.769 -1.701
370 HD1 TRP 52 HD1 TRP 52 -1.703 5.828 -5.417
371 HE1 TRP 52 HE1 TRP 52 0.386 6.597 -6.694
372 HE3 TRP 52 HE3 TRP 52 1.431 6.438 -1.478
373 HZ2 TRP 52 HZ2 TRP 52 3.038 7.378 -6.099
374 HZ3 TRP 52 HZ3 TRP 52 3.726 7.194 -1.894
375 HH2 TRP 52 HH2 TRP 52 4.516 7.656 -4.160
376 H GLU 53 H GLU 53 -1.362 3.048 -0.552
377 HA GLU 53 HA GLU 53 -4.091 3.376 0.494
378 1HB GLU 53 1HB GLU 53 -2.409 0.870 0.548
379 2HB GLU 53 2HB GLU 53 -3.862 1.089 1.513
380 1HG GLU 53 1HG GLU 53 -3.763 1.212 -1.492
381 2HG GLU 53 2HG GLU 53 -4.225 -0.207 -0.555
382 HA PRO 54 HA PRO 54 -2.156 5.077 4.085
383 1HB PRO 54 1HB PRO 54 -3.987 4.181 5.968
384 2HB PRO 54 2HB PRO 54 -4.158 5.652 5.004
385 1HG PRO 54 1HG PRO 54 -5.359 2.952 4.576
386 2HG PRO 54 2HG PRO 54 -6.077 4.554 4.324
387 1HD PRO 54 1HD PRO 54 -5.198 3.070 2.272
388 2HD PRO 54 2HD PRO 54 -5.025 4.839 2.277
389 H GLU 55 H GLU 55 -0.645 4.407 5.490
390 HA GLU 55 HA GLU 55 0.356 1.839 5.492
391 1HB GLU 55 1HB GLU 55 1.582 3.868 6.227
392 2HB GLU 55 2HB GLU 55 0.644 3.868 7.713
393 1HG GLU 55 1HG GLU 55 1.587 1.715 8.329
394 2HG GLU 55 2HG GLU 55 2.499 1.674 6.822
395 H GLU 56 H GLU 56 -2.079 3.246 7.596
396 HA GLU 56 HA GLU 56 -2.090 1.206 9.548
397 1HB GLU 56 1HB GLU 56 -4.314 3.071 8.710
398 2HB GLU 56 2HB GLU 56 -4.307 2.095 10.173
399 1HG GLU 56 1HG GLU 56 -2.340 3.305 10.971
400 2HG GLU 56 2HG GLU 56 -2.352 4.286 9.506
401 H ASN 57 H ASN 57 -4.143 1.704 6.681
402 HA ASN 57 HA ASN 57 -5.724 -0.602 7.045
403 1HB ASN 57 1HB ASN 57 -5.069 0.983 4.560
404 2HB ASN 57 2HB ASN 57 -6.254 -0.318 4.602
405 1HD2 ASN 57 1HD2 ASN 57 -8.237 0.426 4.692
406 2HD2 ASN 57 2HD2 ASN 57 -8.770 1.821 5.558
407 H LEU 58 H LEU 58 -3.037 -0.044 4.775
408 HA LEU 58 HA LEU 58 -2.913 -2.615 3.754
409 1HB LEU 58 1HB LEU 58 -0.590 -2.057 3.099
410 2HB LEU 58 2HB LEU 58 -1.769 -0.840 2.657
411 HG LEU 58 HG LEU 58 -1.035 0.420 4.747
412 1HD1 LEU 58 1HD1 LEU 58 0.321 -1.877 5.300
413 2HD1 LEU 58 2HD1 LEU 58 1.588 -0.847 4.631
414 3HD1 LEU 58 3HD1 LEU 58 0.647 -0.301 6.019
415 1HD2 LEU 58 1HD2 LEU 58 -0.208 0.519 2.164
416 2HD2 LEU 58 2HD2 LEU 58 0.274 1.665 3.416
417 3HD2 LEU 58 3HD2 LEU 58 1.326 0.308 3.012
418 H ASP 59 H ASP 59 -1.583 -4.400 4.153
419 HA ASP 59 HA ASP 59 -0.482 -4.548 6.882
420 1HB ASP 59 1HB ASP 59 -2.648 -5.780 6.608
421 2HB ASP 59 2HB ASP 59 -1.865 -6.796 5.402
422 H CYS 60 H CYS 60 1.331 -3.804 5.221
423 HA CYS 60 HA CYS 60 2.917 -6.207 4.697
424 1HB CYS 60 1HB CYS 60 3.628 -5.338 2.502
425 2HB CYS 60 2HB CYS 60 1.898 -5.662 2.551
426 HG CYS 60 HG CYS 60 3.191 -3.074 1.366
427 HA PRO 61 HA PRO 61 5.106 -2.591 6.865
428 1HB PRO 61 1HB PRO 61 6.119 -4.209 8.858
429 2HB PRO 61 2HB PRO 61 4.637 -3.258 8.995
430 1HG PRO 61 1HG PRO 61 4.976 -6.157 8.341
431 2HG PRO 61 2HG PRO 61 3.773 -5.376 9.386
432 1HD PRO 61 1HD PRO 61 3.156 -6.174 6.905
433 2HD PRO 61 2HD PRO 61 2.482 -4.678 7.587
434 H ASP 62 H ASP 62 6.055 -5.955 6.268
435 HA ASP 62 HA ASP 62 8.824 -5.613 6.331
436 1HB ASP 62 1HB ASP 62 7.787 -7.813 6.333
437 2HB ASP 62 2HB ASP 62 7.184 -7.559 4.697
438 H LEU 63 H LEU 63 6.560 -5.313 3.597
439 HA LEU 63 HA LEU 63 8.573 -4.776 1.673
440 1HB LEU 63 1HB LEU 63 5.628 -4.106 1.670
441 2HB LEU 63 2HB LEU 63 6.689 -3.897 0.291
442 HG LEU 63 HG LEU 63 7.141 -6.389 0.409
443 1HD1 LEU 63 1HD1 LEU 63 5.575 -6.129 2.761
444 2HD1 LEU 63 2HD1 LEU 63 4.689 -7.133 1.614
445 3HD1 LEU 63 3HD1 LEU 63 6.328 -7.575 2.091
446 1HD2 LEU 63 1HD2 LEU 63 4.870 -4.938 -0.599
447 2HD2 LEU 63 2HD2 LEU 63 5.777 -6.258 -1.333
448 3HD2 LEU 63 3HD2 LEU 63 4.439 -6.610 -0.239
449 H ILE 64 H ILE 64 6.612 -2.803 3.800
450 HA ILE 64 HA ILE 64 7.189 -0.273 2.777
451 HB ILE 64 HB ILE 64 6.623 -1.145 5.612
452 1HG1 ILE 64 1HG1 ILE 64 4.858 0.146 3.521
453 2HG1 ILE 64 2HG1 ILE 64 4.851 -1.565 3.928
454 1HG2 ILE 64 1HG2 ILE 64 7.727 1.269 4.882
455 2HG2 ILE 64 2HG2 ILE 64 5.999 1.618 4.959
456 3HG2 ILE 64 3HG2 ILE 64 6.826 0.945 6.363
457 1HD1 ILE 64 1HD1 ILE 64 4.295 -0.809 6.301
458 2HD1 ILE 64 2HD1 ILE 64 3.929 0.755 5.574
459 3HD1 ILE 64 3HD1 ILE 64 3.034 -0.681 5.073
460 H ALA 65 H ALA 65 8.852 -2.127 5.322
461 HA ALA 65 HA ALA 65 10.873 -0.246 5.852
462 1HB ALA 65 1HB ALA 65 12.132 -2.457 6.544
463 2HB ALA 65 2HB ALA 65 10.764 -1.855 7.482
464 3HB ALA 65 3HB ALA 65 10.532 -3.170 6.326
465 H GLU 66 H GLU 66 10.701 -2.927 3.550
466 HA GLU 66 HA GLU 66 13.320 -2.914 2.626
467 1HB GLU 66 1HB GLU 66 11.675 -4.633 2.016
468 2HB GLU 66 2HB GLU 66 10.788 -3.457 1.057
469 1HG GLU 66 1HG GLU 66 12.100 -4.846 -0.391
470 2HG GLU 66 2HG GLU 66 12.752 -3.209 -0.407
471 H PHE 67 H PHE 67 10.662 -0.768 1.917
472 HA PHE 67 HA PHE 67 11.646 0.477 -0.390
473 1HB PHE 67 1HB PHE 67 9.370 0.797 0.220
474 2HB PHE 67 2HB PHE 67 9.804 1.390 1.816
475 HD1 PHE 67 HD1 PHE 67 9.463 3.601 2.148
476 HD2 PHE 67 HD2 PHE 67 10.591 2.276 -1.733
477 HE1 PHE 67 HE1 PHE 67 9.353 5.915 1.339
478 HE2 PHE 67 HE2 PHE 67 10.482 4.592 -2.559
479 HZ PHE 67 HZ PHE 67 9.865 6.418 -1.021
480 H LEU 68 H LEU 68 11.804 1.593 2.999
481 HA LEU 68 HA LEU 68 13.478 3.783 2.485
482 1HB LEU 68 1HB LEU 68 13.027 2.230 5.028
483 2HB LEU 68 2HB LEU 68 13.792 3.802 4.934
484 HG LEU 68 HG LEU 68 11.592 4.230 5.608
485 1HD1 LEU 68 1HD1 LEU 68 12.410 5.658 3.759
486 2HD1 LEU 68 2HD1 LEU 68 11.529 4.619 2.636
487 3HD1 LEU 68 3HD1 LEU 68 10.652 5.547 3.853
488 1HD2 LEU 68 1HD2 LEU 68 10.930 1.841 4.539
489 2HD2 LEU 68 2HD2 LEU 68 9.769 3.035 5.122
490 3HD2 LEU 68 3HD2 LEU 68 10.163 2.953 3.405
491 H GLN 69 H GLN 69 14.193 0.458 3.458
492 HA GLN 69 HA GLN 69 16.910 0.782 4.023
493 1HB GLN 69 1HB GLN 69 15.455 -1.631 2.929
494 2HB GLN 69 2HB GLN 69 17.092 -1.658 3.571
495 1HG GLN 69 1HG GLN 69 16.234 -0.915 5.747
496 2HG GLN 69 2HG GLN 69 14.597 -0.950 5.096
497 1HE2 GLN 69 1HE2 GLN 69 13.515 -2.670 5.696
498 2HE2 GLN 69 2HE2 GLN 69 14.161 -4.253 5.945
499 H SER 70 H SER 70 15.274 0.071 0.961
500 HA SER 70 HA SER 70 17.524 -0.410 -0.616
501 1HB SER 70 1HB SER 70 14.898 0.871 -1.416
502 2HB SER 70 2HB SER 70 16.088 0.207 -2.536
503 HG SER 70 HG SER 70 14.266 -1.197 -1.883
504 H GLN 71 H GLN 71 15.771 2.634 -0.095
505 HA GLN 71 HA GLN 71 17.723 4.181 -1.553
506 1HB GLN 71 1HB GLN 71 15.482 5.157 0.226
507 2HB GLN 71 2HB GLN 71 16.326 6.072 -1.016
508 1HG GLN 71 1HG GLN 71 15.401 4.652 -2.739
509 2HG GLN 71 2HG GLN 71 14.615 3.650 -1.521
510 1HE2 GLN 71 1HE2 GLN 71 13.990 5.858 -3.752
511 2HE2 GLN 71 2HE2 GLN 71 12.637 6.664 -3.042
512 H LYS 72 H LYS 72 18.863 2.729 0.630
513 HA LYS 72 HA LYS 72 19.237 4.328 2.920
514 1HB LYS 72 1HB LYS 72 19.819 1.941 2.861
515 2HB LYS 72 2HB LYS 72 21.088 2.271 1.692
516 1HG LYS 72 1HG LYS 72 22.156 2.005 3.772
517 2HG LYS 72 2HG LYS 72 22.163 3.736 3.439
518 1HD LYS 72 1HD LYS 72 20.002 2.476 5.101
519 2HD LYS 72 2HD LYS 72 21.547 2.939 5.811
520 1HE LYS 72 1HE LYS 72 19.643 4.773 4.355
521 2HE LYS 72 2HE LYS 72 19.868 4.691 6.101
522 1HZ LYS 72 1HZ LYS 72 22.369 5.062 4.880
523 2HZ LYS 72 2HZ LYS 72 21.299 6.215 4.257
524 3HZ LYS 72 3HZ LYS 72 21.545 6.104 5.927
525 H THR 73 H THR 73 20.006 6.322 2.889
526 HA THR 73 HA THR 73 21.444 8.069 2.608
527 HB THR 73 HB THR 73 23.177 6.158 1.026
528 HG1 THR 73 HG1 THR 73 23.415 5.405 3.017
529 1HG2 THR 73 1HG2 THR 73 23.309 8.997 1.409
530 2HG2 THR 73 2HG2 THR 73 24.682 8.228 2.207
531 3HG2 THR 73 3HG2 THR 73 24.390 7.949 0.490
532 H ALA 74 H ALA 74 21.045 6.075 -0.316
533 HA ALA 74 HA ALA 74 19.541 7.916 -1.739
534 1HB ALA 74 1HB ALA 74 22.441 8.029 -2.539
535 2HB ALA 74 2HB ALA 74 21.576 9.302 -1.678
536 3HB ALA 74 3HB ALA 74 21.096 8.864 -3.317
537 H HIS 75 H HIS 75 19.518 5.161 -1.386
538 HA HIS 75 HA HIS 75 19.140 3.239 -2.541
539 1HB HIS 75 1HB HIS 75 17.961 4.767 -4.111
540 2HB HIS 75 2HB HIS 75 19.459 4.950 -5.015
541 HD1 HIS 75 HD1 HIS 75 20.454 2.354 -5.701
542 HD2 HIS 75 HD2 HIS 75 16.364 2.953 -5.283
543 HE1 HIS 75 HE1 HIS 75 19.366 0.467 -6.956
544 HE2 HIS 75 HE2 HIS 75 16.893 0.798 -6.609
545 H GLU 76 H GLU 76 20.318 1.513 -3.286
546 HA GLU 76 HA GLU 76 23.136 1.738 -3.219
547 1HB GLU 76 1HB GLU 76 21.397 -0.557 -4.142
548 2HB GLU 76 2HB GLU 76 23.120 -0.664 -3.810
549 1HG GLU 76 1HG GLU 76 22.710 -0.072 -1.477
550 2HG GLU 76 2HG GLU 76 20.983 0.035 -1.810
551 H THR 77 H THR 77 23.309 -0.364 -5.492
552 HA THR 77 HA THR 77 24.281 1.429 -7.466
553 HB THR 77 HB THR 77 23.715 -1.488 -7.980
554 HG1 THR 77 HG1 THR 77 24.820 -1.648 -6.104
555 1HG2 THR 77 1HG2 THR 77 25.512 0.613 -9.078
556 2HG2 THR 77 2HG2 THR 77 26.133 -1.036 -9.010
557 3HG2 THR 77 3HG2 THR 77 24.654 -0.686 -9.907
558 H ASP 78 H ASP 78 23.087 -0.582 -9.593
559 HA ASP 78 HA ASP 78 20.993 1.198 -10.414
560 1HB ASP 78 1HB ASP 78 21.956 -1.414 -11.603
561 2HB ASP 78 2HB ASP 78 20.803 -0.322 -12.367
562 H LYS 79 H LYS 79 19.418 -0.987 -11.674
563 HA LYS 79 HA LYS 79 17.512 -1.326 -9.565
564 1HB LYS 79 1HB LYS 79 17.557 -2.472 -12.364
565 2HB LYS 79 2HB LYS 79 16.180 -2.510 -11.271
566 1HG LYS 79 1HG LYS 79 16.067 -0.081 -11.300
567 2HG LYS 79 2HG LYS 79 17.477 -0.020 -12.360
568 1HD LYS 79 1HD LYS 79 16.241 -1.239 -14.080
569 2HD LYS 79 2HD LYS 79 14.833 -1.319 -13.019
570 1HE LYS 79 1HE LYS 79 14.698 1.123 -13.017
571 2HE LYS 79 2HE LYS 79 16.110 1.205 -14.071
572 1HZ LYS 79 1HZ LYS 79 14.138 -0.504 -15.177
573 2HZ LYS 79 2HZ LYS 79 13.467 1.013 -14.838
574 3HZ LYS 79 3HZ LYS 79 14.828 0.892 -15.835
575 H SER 80 H SER 80 17.087 -3.081 -8.343
576 HA SER 80 HA SER 80 19.042 -5.072 -8.008
577 1HB SER 80 1HB SER 80 17.405 -6.141 -6.490
578 2HB SER 80 2HB SER 80 17.548 -4.409 -6.191
579 HG SER 80 HG SER 80 15.355 -5.246 -6.292
580 H1 ALA 1 H1 ALA 1 -0.114 -16.749 6.441
581 H2 ALA 1 H2 ALA 1 0.072 -17.175 4.814
582 H3 ALA 1 H3 ALA 1 -1.118 -17.924 5.755
583 HA ALA 1 HA ALA 1 0.316 -19.287 6.809
584 1HB ALA 1 1HB ALA 1 0.571 -19.194 4.112
585 2HB ALA 1 2HB ALA 1 1.317 -20.414 5.144
586 3HB ALA 1 3HB ALA 1 2.251 -19.013 4.617
587 H ARG 2 H ARG 2 3.276 -19.247 5.978
588 HA ARG 2 HA ARG 2 4.262 -18.054 8.335
589 1HB ARG 2 1HB ARG 2 5.392 -19.923 7.211
590 2HB ARG 2 2HB ARG 2 5.766 -18.879 5.846
591 1HG ARG 2 1HG ARG 2 7.163 -17.488 7.270
592 2HG ARG 2 2HG ARG 2 6.763 -18.496 8.662
593 1HD ARG 2 1HD ARG 2 7.786 -20.426 7.547
594 2HD ARG 2 2HD ARG 2 8.199 -19.406 6.170
595 HE ARG 2 HE ARG 2 9.285 -18.243 8.466
596 1HH1 ARG 2 1HH1 ARG 2 9.665 -21.115 6.527
597 2HH1 ARG 2 2HH1 ARG 2 11.345 -21.301 6.904
598 1HH2 ARG 2 1HH2 ARG 2 11.496 -18.487 8.969
599 2HH2 ARG 2 2HH2 ARG 2 12.385 -19.810 8.291
600 H THR 3 H THR 3 4.111 -16.949 4.991
601 HA THR 3 HA THR 3 4.232 -14.213 5.764
602 HB THR 3 HB THR 3 6.606 -14.614 5.994
603 HG1 THR 3 HG1 THR 3 6.330 -12.632 5.135
604 1HG2 THR 3 1HG2 THR 3 6.203 -16.290 3.692
605 2HG2 THR 3 2HG2 THR 3 7.491 -15.126 3.381
606 3HG2 THR 3 3HG2 THR 3 7.590 -16.199 4.777
607 H GLN 5 H GLN 5 1.865 -11.760 3.968
608 HA GLN 5 HA GLN 5 1.336 -9.570 4.240
609 1HB GLN 5 1HB GLN 5 3.196 -9.081 1.909
610 2HB GLN 5 2HB GLN 5 2.643 -7.884 3.071
611 1HG GLN 5 1HG GLN 5 4.397 -10.258 3.657
612 2HG GLN 5 2HG GLN 5 4.909 -8.575 3.560
613 1HE2 GLN 5 1HE2 GLN 5 4.223 -10.968 5.643
614 2HE2 GLN 5 2HE2 GLN 5 3.741 -10.048 7.023
615 H THR 6 H THR 6 -0.409 -8.418 3.693
616 HA THR 6 HA THR 6 -1.241 -8.138 0.925
617 HB THR 6 HB THR 6 -3.557 -8.963 1.423
618 HG1 THR 6 HG1 THR 6 -3.600 -10.498 3.256
619 1HG2 THR 6 1HG2 THR 6 -1.381 -10.368 0.563
620 2HG2 THR 6 2HG2 THR 6 -1.961 -11.373 1.891
621 3HG2 THR 6 3HG2 THR 6 -3.040 -10.969 0.555
622 H ALA 7 H ALA 7 -1.719 -6.042 0.761
623 HA ALA 7 HA ALA 7 -2.536 -4.527 3.088
624 1HB ALA 7 1HB ALA 7 -0.943 -3.459 1.689
625 2HB ALA 7 2HB ALA 7 -2.467 -2.585 1.512
626 3HB ALA 7 3HB ALA 7 -1.942 -3.710 0.254
627 H ARG 8 H ARG 8 -4.504 -3.740 3.523
628 HA ARG 8 HA ARG 8 -6.780 -4.863 2.273
629 1HB ARG 8 1HB ARG 8 -6.717 -2.444 4.077
630 2HB ARG 8 2HB ARG 8 -8.066 -3.545 3.808
631 1HG ARG 8 1HG ARG 8 -6.799 -5.348 4.871
632 2HG ARG 8 2HG ARG 8 -5.458 -4.230 5.153
633 1HD ARG 8 1HD ARG 8 -6.947 -2.825 6.517
634 2HD ARG 8 2HD ARG 8 -8.253 -3.981 6.265
635 HE ARG 8 HE ARG 8 -6.064 -5.350 7.334
636 1HH1 ARG 8 1HH1 ARG 8 -8.377 -2.914 8.261
637 2HH1 ARG 8 2HH1 ARG 8 -8.332 -3.327 9.943
638 1HH2 ARG 8 1HH2 ARG 8 -5.997 -5.899 9.546
639 2HH2 ARG 8 2HH2 ARG 8 -6.978 -5.023 10.673
640 H SER 10 H SER 10 -7.757 -0.986 1.809
641 HA SER 10 HA SER 10 -8.726 0.704 2.992
642 1HB SER 10 1HB SER 10 -7.667 2.000 1.198
643 2HB SER 10 2HB SER 10 -9.112 1.820 0.202
644 HG SER 10 HG SER 10 -8.870 3.833 1.476
645 H THR 11 H THR 11 -10.459 -1.287 2.963
646 HA THR 11 HA THR 11 -12.645 -1.796 3.337
647 HB THR 11 HB THR 11 -13.138 1.165 2.948
648 HG1 THR 11 HG1 THR 11 -11.811 0.853 4.722
649 1HG2 THR 11 1HG2 THR 11 -15.159 -0.266 2.695
650 2HG2 THR 11 2HG2 THR 11 -14.869 -0.899 4.315
651 3HG2 THR 11 3HG2 THR 11 -15.236 0.811 4.089
652 H GLY 12 H GLY 12 -14.161 -2.699 2.057
653 1HA GLY 12 1HA GLY 12 -13.917 -2.580 -0.733
654 2HA GLY 12 2HA GLY 12 -15.250 -1.536 -0.265
655 H GLY 13 H GLY 13 -16.815 -2.791 -1.252
656 1HA GLY 13 1HA GLY 13 -18.359 -4.492 0.068
657 2HA GLY 13 2HA GLY 13 -17.083 -5.585 -0.451
658 H LYS 14 H LYS 14 -18.048 -6.812 -1.961
659 HA LYS 14 HA LYS 14 -19.521 -5.448 -4.111
660 1HB LYS 14 1HB LYS 14 -18.452 -6.998 -5.734
661 2HB LYS 14 2HB LYS 14 -17.312 -5.899 -4.971
662 1HG LYS 14 1HG LYS 14 -16.609 -7.681 -3.452
663 2HG LYS 14 2HG LYS 14 -17.750 -8.784 -4.222
664 1HD LYS 14 1HD LYS 14 -16.569 -8.556 -6.339
665 2HD LYS 14 2HD LYS 14 -15.452 -7.403 -5.606
666 1HE LYS 14 1HE LYS 14 -14.454 -9.623 -5.748
667 2HE LYS 14 2HE LYS 14 -14.669 -9.131 -4.069
668 1HZ LYS 14 1HZ LYS 14 -16.813 -10.682 -5.312
669 2HZ LYS 14 2HZ LYS 14 -15.385 -11.501 -4.927
670 3HZ LYS 14 3HZ LYS 14 -16.254 -10.698 -3.716
671 H ALA 15 H ALA 15 -19.529 -8.254 -5.395
672 HA ALA 15 HA ALA 15 -22.091 -9.014 -4.645
673 1HB ALA 15 1HB ALA 15 -20.796 -9.664 -6.728
674 2HB ALA 15 2HB ALA 15 -21.804 -10.916 -6.001
675 3HB ALA 15 3HB ALA 15 -20.058 -10.931 -5.748
676 HA PRO 16 HA PRO 16 -21.566 -11.047 -0.744
677 1HB PRO 16 1HB PRO 16 -23.920 -12.662 -1.494
678 2HB PRO 16 2HB PRO 16 -23.708 -11.545 -0.142
679 1HG PRO 16 1HG PRO 16 -25.265 -10.921 -2.227
680 2HG PRO 16 2HG PRO 16 -24.281 -9.695 -1.406
681 1HD PRO 16 1HD PRO 16 -23.762 -11.125 -3.989
682 2HD PRO 16 2HD PRO 16 -23.530 -9.410 -3.586
683 H GLY 17 H GLY 17 -23.008 -13.841 -0.936
684 1HA GLY 17 1HA GLY 17 -20.782 -15.455 -0.883
685 2HA GLY 17 2HA GLY 17 -21.274 -15.421 -2.568
686 H GLY 18 H GLY 18 -22.144 -17.361 -2.939
687 1HA GLY 18 1HA GLY 18 -24.689 -18.031 -1.966
688 2HA GLY 18 2HA GLY 18 -23.498 -18.941 -1.049
No H/Q in entry = 688
Start of MODEL 8
1 H1 HIS 8 H1 HIS 8 -16.657 -5.863 16.316
2 H2 HIS 8 H2 HIS 8 -15.096 -5.313 15.967
3 H3 HIS 8 H3 HIS 8 -16.244 -5.447 14.730
4 HA HIS 8 HA HIS 8 -14.882 -7.280 14.443
5 1HB HIS 8 1HB HIS 8 -14.471 -8.803 16.493
6 2HB HIS 8 2HB HIS 8 -13.566 -7.299 16.369
7 HD1 HIS 8 HD1 HIS 8 -16.823 -8.429 18.017
8 HD2 HIS 8 HD2 HIS 8 -13.565 -5.940 18.691
9 HE1 HIS 8 HE1 HIS 8 -17.177 -7.467 20.312
10 HE2 HIS 8 HE2 HIS 8 -15.192 -5.965 20.702
11 H MET 9 H MET 9 -16.267 -9.135 16.911
12 HA MET 9 HA MET 9 -17.984 -10.614 17.006
13 1HB MET 9 1HB MET 9 -19.264 -8.742 15.006
14 2HB MET 9 2HB MET 9 -20.084 -10.107 15.748
15 1HG MET 9 1HG MET 9 -20.762 -8.208 16.946
16 2HG MET 9 2HG MET 9 -19.597 -9.038 17.975
17 1HE MET 9 1HE MET 9 -20.547 -6.445 18.642
18 2HE MET 9 2HE MET 9 -19.006 -6.524 19.498
19 3HE MET 9 3HE MET 9 -19.399 -5.111 18.517
20 H VAL 10 H VAL 10 -19.711 -11.183 14.586
21 HA VAL 10 HA VAL 10 -17.821 -12.287 12.675
22 HB VAL 10 HB VAL 10 -18.811 -14.578 12.864
23 1HG1 VAL 10 1HG1 VAL 10 -16.697 -13.525 14.177
24 2HG1 VAL 10 2HG1 VAL 10 -17.636 -14.159 15.528
25 3HG1 VAL 10 3HG1 VAL 10 -17.137 -15.231 14.220
26 1HG2 VAL 10 1HG2 VAL 10 -20.845 -13.789 14.117
27 2HG2 VAL 10 2HG2 VAL 10 -20.066 -15.229 14.776
28 3HG2 VAL 10 3HG2 VAL 10 -19.822 -13.662 15.549
29 H GLU 11 H GLU 11 -19.750 -10.297 12.335
30 HA GLU 11 HA GLU 11 -22.236 -11.222 11.403
31 1HB GLU 11 1HB GLU 11 -21.786 -8.864 11.933
32 2HB GLU 11 2HB GLU 11 -20.693 -8.760 10.561
33 1HG GLU 11 1HG GLU 11 -22.784 -7.765 9.969
34 2HG GLU 11 2HG GLU 11 -22.586 -9.260 9.058
35 H GLU 12 H GLU 12 -22.688 -12.454 9.720
36 HA GLU 12 HA GLU 12 -20.712 -12.975 7.690
37 1HB GLU 12 1HB GLU 12 -23.538 -13.997 8.014
38 2HB GLU 12 2HB GLU 12 -22.387 -14.578 6.819
39 1HG GLU 12 1HG GLU 12 -20.904 -15.323 8.619
40 2HG GLU 12 2HG GLU 12 -22.078 -14.759 9.808
41 H VAL 13 H VAL 13 -23.386 -13.353 5.958
42 HA VAL 13 HA VAL 13 -24.443 -12.250 4.280
43 HB VAL 13 HB VAL 13 -23.649 -9.721 5.731
44 1HG1 VAL 13 1HG1 VAL 13 -24.383 -9.636 3.261
45 2HG1 VAL 13 2HG1 VAL 13 -25.986 -10.029 3.882
46 3HG1 VAL 13 3HG1 VAL 13 -25.171 -8.558 4.411
47 1HG2 VAL 13 1HG2 VAL 13 -25.735 -11.730 6.221
48 2HG2 VAL 13 2HG2 VAL 13 -25.009 -10.554 7.316
49 3HG2 VAL 13 3HG2 VAL 13 -26.294 -10.057 6.217
50 H LEU 14 H LEU 14 -23.779 -11.953 2.269
51 HA LEU 14 HA LEU 14 -22.469 -11.548 0.464
52 1HB LEU 14 1HB LEU 14 -22.669 -9.215 1.247
53 2HB LEU 14 2HB LEU 14 -21.232 -9.432 2.228
54 HG LEU 14 HG LEU 14 -19.889 -9.772 0.199
55 1HD1 LEU 14 1HD1 LEU 14 -22.072 -10.559 -1.064
56 2HD1 LEU 14 2HD1 LEU 14 -22.132 -8.856 -1.522
57 3HD1 LEU 14 3HD1 LEU 14 -20.718 -9.828 -1.926
58 1HD2 LEU 14 1HD2 LEU 14 -20.716 -7.438 1.222
59 2HD2 LEU 14 2HD2 LEU 14 -19.614 -7.554 -0.149
60 3HD2 LEU 14 3HD2 LEU 14 -21.333 -7.269 -0.421
61 H GLU 15 H GLU 15 -21.077 -13.056 -0.112
62 HA GLU 15 HA GLU 15 -19.030 -13.989 1.680
63 1HB GLU 15 1HB GLU 15 -18.608 -15.708 0.073
64 2HB GLU 15 2HB GLU 15 -20.347 -15.505 0.196
65 1HG GLU 15 1HG GLU 15 -18.592 -14.437 -2.005
66 2HG GLU 15 2HG GLU 15 -19.637 -15.849 -2.104
67 H GLU 16 H GLU 16 -18.593 -11.306 1.041
68 HA GLU 16 HA GLU 16 -15.880 -11.378 0.265
69 1HB GLU 16 1HB GLU 16 -16.852 -11.662 -1.979
70 2HB GLU 16 2HB GLU 16 -17.776 -10.181 -1.764
71 1HG GLU 16 1HG GLU 16 -15.716 -8.895 -1.643
72 2HG GLU 16 2HG GLU 16 -14.772 -10.374 -1.814
73 H GLU 17 H GLU 17 -14.940 -9.780 1.331
74 HA GLU 17 HA GLU 17 -15.669 -7.094 1.303
75 1HB GLU 17 1HB GLU 17 -16.536 -6.783 3.591
76 2HB GLU 17 2HB GLU 17 -17.625 -7.741 2.599
77 1HG GLU 17 1HG GLU 17 -16.780 -9.782 3.652
78 2HG GLU 17 2HG GLU 17 -15.704 -8.811 4.656
79 H GLU 18 H GLU 18 -13.978 -5.902 2.011
80 HA GLU 18 HA GLU 18 -11.886 -5.433 2.773
81 1HB GLU 18 1HB GLU 18 -12.711 -7.317 4.954
82 2HB GLU 18 2HB GLU 18 -11.318 -6.256 5.031
83 1HG GLU 18 1HG GLU 18 -12.775 -4.316 4.894
84 2HG GLU 18 2HG GLU 18 -14.183 -5.370 4.770
85 H GLU 19 H GLU 19 -11.831 -7.226 0.746
86 HA GLU 19 HA GLU 19 -10.427 -9.606 1.380
87 1HB GLU 19 1HB GLU 19 -10.008 -9.701 -1.089
88 2HB GLU 19 2HB GLU 19 -11.701 -9.603 -0.611
89 1HG GLU 19 1HG GLU 19 -11.723 -7.248 -1.070
90 2HG GLU 19 2HG GLU 19 -10.012 -7.291 -1.469
91 H GLU 20 H GLU 20 -8.325 -9.977 1.673
92 HA GLU 20 HA GLU 20 -6.497 -7.728 1.551
93 1HB GLU 20 1HB GLU 20 -6.100 -10.569 2.504
94 2HB GLU 20 2HB GLU 20 -4.892 -9.297 2.616
95 1HG GLU 20 1HG GLU 20 -6.375 -8.015 4.071
96 2HG GLU 20 2HG GLU 20 -7.588 -9.288 3.957
97 H TYR 21 H TYR 21 -5.026 -7.380 0.021
98 HA TYR 21 HA TYR 21 -4.797 -9.333 -2.148
99 1HB TYR 21 1HB TYR 21 -4.083 -6.401 -1.991
100 2HB TYR 21 2HB TYR 21 -3.729 -7.417 -3.386
101 HD1 TYR 21 HD1 TYR 21 -6.657 -6.614 -1.191
102 HD2 TYR 21 HD2 TYR 21 -5.218 -7.303 -5.135
103 HE1 TYR 21 HE1 TYR 21 -8.905 -6.175 -2.083
104 HE2 TYR 21 HE2 TYR 21 -7.462 -6.864 -6.037
105 HH TYR 21 HH TYR 21 -9.876 -5.385 -4.322
106 H VAL 22 H VAL 22 -2.874 -10.235 -2.769
107 HA VAL 22 HA VAL 22 -0.887 -10.630 -0.859
108 HB VAL 22 HB VAL 22 -0.622 -10.954 -3.852
109 1HG1 VAL 22 1HG1 VAL 22 0.994 -12.046 -1.555
110 2HG1 VAL 22 2HG1 VAL 22 1.077 -12.680 -3.198
111 3HG1 VAL 22 3HG1 VAL 22 1.549 -11.012 -2.872
112 1HG2 VAL 22 1HG2 VAL 22 -2.373 -12.241 -2.138
113 2HG2 VAL 22 2HG2 VAL 22 -1.863 -12.800 -3.731
114 3HG2 VAL 22 3HG2 VAL 22 -1.021 -13.364 -2.288
115 H VAL 23 H VAL 23 -0.868 -8.512 -3.695
116 HA VAL 23 HA VAL 23 0.334 -6.642 -4.198
117 HB VAL 23 HB VAL 23 1.251 -6.628 -1.325
118 1HG1 VAL 23 1HG1 VAL 23 1.530 -4.821 -3.582
119 2HG1 VAL 23 2HG1 VAL 23 0.828 -4.037 -2.167
120 3HG1 VAL 23 3HG1 VAL 23 2.388 -4.849 -2.043
121 1HG2 VAL 23 1HG2 VAL 23 -1.291 -5.504 -2.490
122 2HG2 VAL 23 2HG2 VAL 23 -1.158 -6.841 -1.346
123 3HG2 VAL 23 3HG2 VAL 23 -0.700 -5.208 -0.855
124 H GLU 24 H GLU 24 2.192 -6.532 -5.290
125 HA GLU 24 HA GLU 24 4.195 -8.536 -4.960
126 1HB GLU 24 1HB GLU 24 3.648 -7.631 -7.163
127 2HB GLU 24 2HB GLU 24 4.176 -6.032 -6.656
128 1HG GLU 24 1HG GLU 24 6.455 -6.873 -6.379
129 2HG GLU 24 2HG GLU 24 5.923 -8.472 -6.899
130 H LYS 25 H LYS 25 4.206 -5.004 -4.546
131 HA LYS 25 HA LYS 25 5.716 -4.957 -2.201
132 1HB LYS 25 1HB LYS 25 7.535 -5.841 -3.601
133 2HB LYS 25 2HB LYS 25 7.348 -4.484 -4.703
134 1HG LYS 25 1HG LYS 25 8.020 -2.944 -2.939
135 2HG LYS 25 2HG LYS 25 8.188 -4.297 -1.818
136 1HD LYS 25 1HD LYS 25 9.932 -5.259 -3.231
137 2HD LYS 25 2HD LYS 25 9.752 -3.926 -4.373
138 1HE LYS 25 1HE LYS 25 10.608 -3.679 -1.491
139 2HE LYS 25 2HE LYS 25 11.676 -3.600 -2.891
140 1HZ LYS 25 1HZ LYS 25 10.253 -1.673 -3.639
141 2HZ LYS 25 2HZ LYS 25 9.576 -1.674 -2.089
142 3HZ LYS 25 3HZ LYS 25 11.231 -1.391 -2.289
143 H VAL 26 H VAL 26 5.727 -2.891 -1.355
144 HA VAL 26 HA VAL 26 4.085 -0.964 -2.571
145 HB VAL 26 HB VAL 26 4.279 0.250 -0.674
146 1HG1 VAL 26 1HG1 VAL 26 4.093 -2.187 -0.033
147 2HG1 VAL 26 2HG1 VAL 26 5.788 -2.082 0.439
148 3HG1 VAL 26 3HG1 VAL 26 4.587 -1.064 1.233
149 1HG2 VAL 26 1HG2 VAL 26 6.477 1.120 -1.176
150 2HG2 VAL 26 2HG2 VAL 26 6.306 0.748 0.540
151 3HG2 VAL 26 3HG2 VAL 26 7.215 -0.339 -0.513
152 H LEU 27 H LEU 27 4.478 0.610 -4.015
153 HA LEU 27 HA LEU 27 7.078 0.700 -5.236
154 1HB LEU 27 1HB LEU 27 4.561 2.238 -5.833
155 2HB LEU 27 2HB LEU 27 6.024 2.324 -6.791
156 HG LEU 27 HG LEU 27 4.343 -0.151 -6.381
157 1HD1 LEU 27 1HD1 LEU 27 4.172 2.049 -8.248
158 2HD1 LEU 27 2HD1 LEU 27 4.430 0.512 -9.072
159 3HD1 LEU 27 3HD1 LEU 27 3.060 0.707 -7.980
160 1HD2 LEU 27 1HD2 LEU 27 7.035 0.026 -7.021
161 2HD2 LEU 27 2HD2 LEU 27 5.976 -1.356 -7.298
162 3HD2 LEU 27 3HD2 LEU 27 6.230 -0.168 -8.577
163 H ASP 28 H ASP 28 4.983 3.229 -3.752
164 HA ASP 28 HA ASP 28 7.484 4.547 -2.918
165 1HB ASP 28 1HB ASP 28 5.211 5.910 -4.363
166 2HB ASP 28 2HB ASP 28 6.537 6.759 -3.574
167 H ARG 29 H ARG 29 6.455 6.843 -1.845
168 HA ARG 29 HA ARG 29 4.326 6.298 0.014
169 1HB ARG 29 1HB ARG 29 6.023 5.137 1.227
170 2HB ARG 29 2HB ARG 29 7.201 6.407 0.927
171 1HG ARG 29 1HG ARG 29 5.702 7.931 2.284
172 2HG ARG 29 2HG ARG 29 4.828 6.476 2.766
173 1HD ARG 29 1HD ARG 29 6.514 7.109 4.422
174 2HD ARG 29 2HD ARG 29 6.868 5.540 3.700
175 HE ARG 29 HE ARG 29 8.235 7.486 2.241
176 1HH1 ARG 29 1HH1 ARG 29 8.248 6.116 5.446
177 2HH1 ARG 29 2HH1 ARG 29 9.936 6.412 5.702
178 1HH2 ARG 29 1HH2 ARG 29 10.452 7.880 2.572
179 2HH2 ARG 29 2HH2 ARG 29 11.187 7.414 4.070
180 H ARG 30 H ARG 30 3.471 8.177 0.845
181 HA ARG 30 HA ARG 30 4.986 10.634 0.827
182 1HB ARG 30 1HB ARG 30 3.556 11.881 -0.666
183 2HB ARG 30 2HB ARG 30 4.207 10.489 -1.519
184 1HG ARG 30 1HG ARG 30 2.097 9.307 -1.217
185 2HG ARG 30 2HG ARG 30 1.444 10.693 -0.341
186 1HD ARG 30 1HD ARG 30 2.367 10.679 -3.213
187 2HD ARG 30 2HD ARG 30 0.693 10.685 -2.663
188 HE ARG 30 HE ARG 30 2.013 12.885 -1.538
189 1HH1 ARG 30 1HH1 ARG 30 0.927 11.733 -4.643
190 2HH1 ARG 30 2HH1 ARG 30 0.711 13.322 -5.300
191 1HH2 ARG 30 1HH2 ARG 30 1.732 14.977 -2.395
192 2HH2 ARG 30 2HH2 ARG 30 1.168 15.164 -4.023
193 H VAL 31 H VAL 31 3.919 12.373 1.929
194 HA VAL 31 HA VAL 31 1.601 11.495 3.527
195 HB VAL 31 HB VAL 31 3.917 13.214 4.429
196 1HG1 VAL 31 1HG1 VAL 31 1.714 13.969 5.311
197 2HG1 VAL 31 2HG1 VAL 31 1.498 12.367 6.019
198 3HG1 VAL 31 3HG1 VAL 31 2.822 13.399 6.560
199 1HG2 VAL 31 1HG2 VAL 31 3.477 10.406 4.480
200 2HG2 VAL 31 2HG2 VAL 31 4.833 11.323 5.137
201 3HG2 VAL 31 3HG2 VAL 31 3.411 11.013 6.135
202 H VAL 32 H VAL 32 -0.090 12.851 3.698
203 HA VAL 32 HA VAL 32 0.195 15.574 2.621
204 HB VAL 32 HB VAL 32 -2.021 15.413 1.592
205 1HG1 VAL 32 1HG1 VAL 32 -0.106 13.247 0.736
206 2HG1 VAL 32 2HG1 VAL 32 -1.450 13.843 -0.238
207 3HG1 VAL 32 3HG1 VAL 32 -0.124 14.924 0.188
208 1HG2 VAL 32 1HG2 VAL 32 -1.950 12.630 2.710
209 2HG2 VAL 32 2HG2 VAL 32 -3.212 13.852 2.856
210 3HG2 VAL 32 3HG2 VAL 32 -2.951 13.035 1.316
211 H LYS 33 H LYS 33 -0.527 17.107 3.951
212 HA LYS 33 HA LYS 33 -1.223 18.029 5.924
213 1HB LYS 33 1HB LYS 33 -3.629 17.993 6.228
214 2HB LYS 33 2HB LYS 33 -3.245 18.121 4.519
215 1HG LYS 33 1HG LYS 33 -3.726 15.752 4.221
216 2HG LYS 33 2HG LYS 33 -4.078 15.600 5.943
217 1HD LYS 33 1HD LYS 33 -5.570 17.365 3.999
218 2HD LYS 33 2HD LYS 33 -6.123 15.796 4.588
219 1HE LYS 33 1HE LYS 33 -6.127 16.671 6.881
220 2HE LYS 33 2HE LYS 33 -5.595 18.240 6.278
221 1HZ LYS 33 1HZ LYS 33 -7.910 17.356 4.894
222 2HZ LYS 33 2HZ LYS 33 -8.191 17.367 6.563
223 3HZ LYS 33 3HZ LYS 33 -7.674 18.775 5.783
224 H GLY 34 H GLY 34 0.195 15.636 6.375
225 1HA GLY 34 1HA GLY 34 -0.653 15.079 9.051
226 2HA GLY 34 2HA GLY 34 0.717 14.359 8.220
227 H LYS 35 H LYS 35 -0.744 13.290 6.009
228 HA LYS 35 HA LYS 35 -2.252 11.170 7.366
229 1HB LYS 35 1HB LYS 35 -2.709 12.435 4.669
230 2HB LYS 35 2HB LYS 35 -3.445 10.924 5.160
231 1HG LYS 35 1HG LYS 35 -3.833 13.609 6.453
232 2HG LYS 35 2HG LYS 35 -4.997 12.734 5.461
233 1HD LYS 35 1HD LYS 35 -3.899 11.735 8.086
234 2HD LYS 35 2HD LYS 35 -5.439 12.575 7.903
235 1HE LYS 35 1HE LYS 35 -5.903 10.238 7.968
236 2HE LYS 35 2HE LYS 35 -6.130 10.774 6.304
237 1HZ LYS 35 1HZ LYS 35 -3.534 9.667 7.137
238 2HZ LYS 35 2HZ LYS 35 -4.815 8.619 6.788
239 3HZ LYS 35 3HZ LYS 35 -4.248 9.685 5.603
240 H VAL 36 H VAL 36 -1.778 9.087 6.825
241 HA VAL 36 HA VAL 36 0.692 8.705 5.328
242 HB VAL 36 HB VAL 36 -0.885 6.685 6.928
243 1HG1 VAL 36 1HG1 VAL 36 1.815 6.602 5.610
244 2HG1 VAL 36 2HG1 VAL 36 1.358 5.496 6.904
245 3HG1 VAL 36 3HG1 VAL 36 0.452 5.504 5.391
246 1HG2 VAL 36 1HG2 VAL 36 1.342 8.547 7.669
247 2HG2 VAL 36 2HG2 VAL 36 -0.161 8.208 8.528
248 3HG2 VAL 36 3HG2 VAL 36 1.131 7.008 8.504
249 H GLU 37 H GLU 37 0.874 7.683 3.447
250 HA GLU 37 HA GLU 37 -1.201 5.978 2.395
251 1HB GLU 37 1HB GLU 37 -1.531 7.231 0.320
252 2HB GLU 37 2HB GLU 37 -2.040 8.178 1.710
253 1HG GLU 37 1HG GLU 37 0.067 9.417 1.622
254 2HG GLU 37 2HG GLU 37 0.545 8.484 0.205
255 H TYR 38 H TYR 38 -0.317 4.438 1.080
256 HA TYR 38 HA TYR 38 2.458 4.881 0.202
257 1HB TYR 38 1HB TYR 38 1.286 2.521 1.627
258 2HB TYR 38 2HB TYR 38 2.677 2.320 0.567
259 HD1 TYR 38 HD1 TYR 38 1.520 4.401 3.441
260 HD2 TYR 38 HD2 TYR 38 4.792 2.566 1.439
261 HE1 TYR 38 HE1 TYR 38 3.018 5.086 5.265
262 HE2 TYR 38 HE2 TYR 38 6.297 3.242 3.256
263 HH TYR 38 HH TYR 38 5.664 3.864 6.031
264 H LEU 39 H LEU 39 2.993 4.317 -1.780
265 HA LEU 39 HA LEU 39 0.941 3.539 -3.628
266 1HB LEU 39 1HB LEU 39 2.695 5.140 -4.246
267 2HB LEU 39 2HB LEU 39 3.919 3.913 -3.994
268 HG LEU 39 HG LEU 39 3.212 2.686 -5.902
269 1HD1 LEU 39 1HD1 LEU 39 0.824 2.906 -5.544
270 2HD1 LEU 39 2HD1 LEU 39 0.895 4.579 -6.091
271 3HD1 LEU 39 3HD1 LEU 39 1.269 3.269 -7.211
272 1HD2 LEU 39 1HD2 LEU 39 3.414 5.638 -6.301
273 2HD2 LEU 39 2HD2 LEU 39 4.599 4.380 -6.654
274 3HD2 LEU 39 3HD2 LEU 39 3.174 4.559 -7.678
275 H LEU 40 H LEU 40 0.634 1.518 -4.550
276 HA LEU 40 HA LEU 40 2.513 -0.603 -3.760
277 1HB LEU 40 1HB LEU 40 -0.486 -0.701 -3.463
278 2HB LEU 40 2HB LEU 40 0.590 -2.064 -3.216
279 HG LEU 40 HG LEU 40 0.735 0.487 -1.607
280 1HD1 LEU 40 1HD1 LEU 40 -0.764 -2.059 -1.141
281 2HD1 LEU 40 2HD1 LEU 40 -0.193 -1.064 0.200
282 3HD1 LEU 40 3HD1 LEU 40 -1.322 -0.393 -0.979
283 1HD2 LEU 40 1HD2 LEU 40 2.445 -1.767 -1.881
284 2HD2 LEU 40 2HD2 LEU 40 2.622 -0.358 -0.834
285 3HD2 LEU 40 3HD2 LEU 40 1.740 -1.776 -0.263
286 H LYS 41 H LYS 41 2.998 -2.023 -5.288
287 HA LYS 41 HA LYS 41 1.768 -1.766 -7.907
288 1HB LYS 41 1HB LYS 41 4.213 -1.900 -7.728
289 2HB LYS 41 2HB LYS 41 4.081 -3.472 -6.955
290 1HG LYS 41 1HG LYS 41 4.696 -3.764 -9.256
291 2HG LYS 41 2HG LYS 41 3.053 -4.362 -9.016
292 1HD LYS 41 1HD LYS 41 2.173 -2.244 -9.909
293 2HD LYS 41 2HD LYS 41 3.825 -1.689 -10.187
294 1HE LYS 41 1HE LYS 41 2.821 -2.558 -12.239
295 2HE LYS 41 2HE LYS 41 4.198 -3.536 -11.733
296 1HZ LYS 41 1HZ LYS 41 1.945 -4.635 -10.542
297 2HZ LYS 41 2HZ LYS 41 1.527 -4.335 -12.155
298 3HZ LYS 41 3HZ LYS 41 2.874 -5.292 -11.793
299 H TRP 42 H TRP 42 -0.316 -2.619 -7.144
300 HA TRP 42 HA TRP 42 -0.729 -5.145 -6.083
301 1HB TRP 42 1HB TRP 42 -2.565 -3.817 -8.079
302 2HB TRP 42 2HB TRP 42 -3.004 -4.941 -6.794
303 HD1 TRP 42 HD1 TRP 42 -2.268 -1.280 -7.441
304 HE1 TRP 42 HE1 TRP 42 -2.770 0.076 -5.312
305 HE3 TRP 42 HE3 TRP 42 -3.011 -5.143 -4.179
306 HZ2 TRP 42 HZ2 TRP 42 -3.389 -0.429 -2.605
307 HZ3 TRP 42 HZ3 TRP 42 -3.547 -4.622 -1.836
308 HH2 TRP 42 HH2 TRP 42 -3.729 -2.311 -1.065
309 H LYS 43 H LYS 43 -0.664 -7.161 -6.831
310 HA LYS 43 HA LYS 43 0.552 -7.741 -9.307
311 1HB LYS 43 1HB LYS 43 0.119 -10.095 -8.749
312 2HB LYS 43 2HB LYS 43 0.768 -9.223 -7.369
313 1HG LYS 43 1HG LYS 43 -1.481 -9.032 -6.431
314 2HG LYS 43 2HG LYS 43 -2.127 -9.915 -7.815
315 1HD LYS 43 1HD LYS 43 -0.044 -11.024 -5.938
316 2HD LYS 43 2HD LYS 43 -1.777 -11.293 -5.748
317 1HE LYS 43 1HE LYS 43 -0.848 -13.194 -6.862
318 2HE LYS 43 2HE LYS 43 -1.804 -12.288 -8.033
319 1HZ LYS 43 1HZ LYS 43 1.082 -11.774 -7.823
320 2HZ LYS 43 2HZ LYS 43 0.545 -13.142 -8.660
321 3HZ LYS 43 3HZ LYS 43 0.057 -11.598 -9.156
322 H GLY 44 H GLY 44 -0.211 -8.421 -11.231
323 1HA GLY 44 1HA GLY 44 -2.980 -9.110 -11.618
324 2HA GLY 44 2HA GLY 44 -1.744 -9.002 -12.864
325 H PHE 45 H PHE 45 -2.724 -6.505 -10.562
326 HA PHE 45 HA PHE 45 -4.313 -5.084 -12.436
327 1HB PHE 45 1HB PHE 45 -3.179 -4.312 -9.754
328 2HB PHE 45 2HB PHE 45 -4.193 -3.236 -10.709
329 HD1 PHE 45 HD1 PHE 45 -4.303 -6.829 -9.670
330 HD2 PHE 45 HD2 PHE 45 -6.356 -3.118 -10.003
331 HE1 PHE 45 HE1 PHE 45 -6.318 -7.864 -8.708
332 HE2 PHE 45 HE2 PHE 45 -8.375 -4.144 -9.040
333 HZ PHE 45 HZ PHE 45 -8.357 -6.519 -8.391
334 H SER 46 H SER 46 -3.846 -3.407 -13.739
335 HA SER 46 HA SER 46 -1.211 -3.041 -14.644
336 1HB SER 46 1HB SER 46 -3.645 -1.288 -15.056
337 2HB SER 46 2HB SER 46 -2.144 -1.169 -15.973
338 HG SER 46 HG SER 46 -3.781 -3.484 -15.831
339 H ASP 47 H ASP 47 0.069 -1.081 -14.626
340 HA ASP 47 HA ASP 47 0.629 -0.128 -12.091
341 1HB ASP 47 1HB ASP 47 1.972 1.625 -13.222
342 2HB ASP 47 2HB ASP 47 2.250 0.020 -13.891
343 H GLU 48 H GLU 48 -1.515 1.207 -14.549
344 HA GLU 48 HA GLU 48 -2.007 3.691 -13.345
345 1HB GLU 48 1HB GLU 48 -3.824 2.008 -15.082
346 2HB GLU 48 2HB GLU 48 -4.058 3.711 -14.718
347 1HG GLU 48 1HG GLU 48 -1.975 4.257 -15.848
348 2HG GLU 48 2HG GLU 48 -1.708 2.549 -16.192
349 H ASP 49 H ASP 49 -3.415 0.513 -12.870
350 HA ASP 49 HA ASP 49 -5.624 1.230 -11.315
351 1HB ASP 49 1HB ASP 49 -3.981 -1.306 -11.277
352 2HB ASP 49 2HB ASP 49 -5.561 -1.115 -10.528
353 H ASN 50 H ASN 50 -2.241 0.943 -10.483
354 HA ASN 50 HA ASN 50 -2.237 0.471 -7.803
355 1HB ASN 50 1HB ASN 50 -0.593 2.565 -9.237
356 2HB ASN 50 2HB ASN 50 -0.260 1.965 -7.617
357 1HD2 ASN 50 1HD2 ASN 50 1.117 1.859 -10.327
358 2HD2 ASN 50 2HD2 ASN 50 1.581 0.203 -10.478
359 H THR 51 H THR 51 -2.579 1.575 -5.922
360 HA THR 51 HA THR 51 -3.473 4.341 -6.025
361 HB THR 51 HB THR 51 -5.568 3.148 -6.322
362 HG1 THR 51 HG1 THR 51 -5.009 4.753 -4.252
363 1HG2 THR 51 1HG2 THR 51 -4.388 1.275 -4.519
364 2HG2 THR 51 2HG2 THR 51 -5.907 1.845 -3.829
365 3HG2 THR 51 3HG2 THR 51 -5.884 1.128 -5.441
366 H TRP 52 H TRP 52 -2.721 5.446 -4.353
367 HA TRP 52 HA TRP 52 -1.119 4.202 -2.366
368 1HB TRP 52 1HB TRP 52 -2.144 7.045 -2.463
369 2HB TRP 52 2HB TRP 52 -0.790 6.452 -1.517
370 HD1 TRP 52 HD1 TRP 52 -1.662 6.301 -5.319
371 HE1 TRP 52 HE1 TRP 52 0.470 6.917 -6.626
372 HE3 TRP 52 HE3 TRP 52 1.497 7.080 -1.395
373 HZ2 TRP 52 HZ2 TRP 52 3.131 7.660 -6.061
374 HZ3 TRP 52 HZ3 TRP 52 3.810 7.734 -1.854
375 HH2 TRP 52 HH2 TRP 52 4.618 8.021 -4.141
376 H GLU 53 H GLU 53 -1.550 3.812 -0.215
377 HA GLU 53 HA GLU 53 -4.109 4.628 0.895
378 1HB GLU 53 1HB GLU 53 -4.511 2.215 1.641
379 2HB GLU 53 2HB GLU 53 -4.849 2.618 -0.033
380 1HG GLU 53 1HG GLU 53 -2.610 1.716 -0.632
381 2HG GLU 53 2HG GLU 53 -2.449 1.166 1.036
382 HA PRO 54 HA PRO 54 -1.924 5.262 4.636
383 1HB PRO 54 1HB PRO 54 -3.836 4.224 6.392
384 2HB PRO 54 2HB PRO 54 -3.749 5.888 5.813
385 1HG PRO 54 1HG PRO 54 -5.423 3.622 4.828
386 2HG PRO 54 2HG PRO 54 -5.832 5.342 4.975
387 1HD PRO 54 1HD PRO 54 -5.265 4.276 2.600
388 2HD PRO 54 2HD PRO 54 -4.688 5.903 3.023
389 H GLU 55 H GLU 55 -0.450 4.218 5.751
390 HA GLU 55 HA GLU 55 0.095 1.501 5.372
391 1HB GLU 55 1HB GLU 55 1.840 3.092 5.922
392 2HB GLU 55 2HB GLU 55 1.092 3.435 7.477
393 1HG GLU 55 1HG GLU 55 2.991 2.011 7.802
394 2HG GLU 55 2HG GLU 55 1.523 1.107 8.159
395 H GLU 56 H GLU 56 -1.745 3.174 7.824
396 HA GLU 56 HA GLU 56 -1.820 1.375 9.894
397 1HB GLU 56 1HB GLU 56 -4.151 2.959 8.798
398 2HB GLU 56 2HB GLU 56 -4.064 2.249 10.404
399 1HG GLU 56 1HG GLU 56 -2.176 3.692 10.947
400 2HG GLU 56 2HG GLU 56 -2.253 4.401 9.334
401 H ASN 57 H ASN 57 -3.954 1.390 7.042
402 HA ASN 57 HA ASN 57 -5.287 -1.020 7.746
403 1HB ASN 57 1HB ASN 57 -5.062 0.399 5.085
404 2HB ASN 57 2HB ASN 57 -6.134 -0.959 5.404
405 1HD2 ASN 57 1HD2 ASN 57 -6.054 2.267 5.120
406 2HD2 ASN 57 2HD2 ASN 57 -7.391 2.701 6.125
407 H LEU 58 H LEU 58 -2.515 -0.253 5.720
408 HA LEU 58 HA LEU 58 -2.220 -2.681 4.405
409 1HB LEU 58 1HB LEU 58 0.111 -1.039 5.363
410 2HB LEU 58 2HB LEU 58 0.006 -2.031 3.922
411 HG LEU 58 HG LEU 58 -1.184 0.680 4.419
412 1HD1 LEU 58 1HD1 LEU 58 0.881 -0.490 2.684
413 2HD1 LEU 58 2HD1 LEU 58 -0.186 0.693 1.921
414 3HD1 LEU 58 3HD1 LEU 58 0.742 1.135 3.358
415 1HD2 LEU 58 1HD2 LEU 58 -2.351 -1.474 2.872
416 2HD2 LEU 58 2HD2 LEU 58 -3.019 0.096 3.319
417 3HD2 LEU 58 3HD2 LEU 58 -1.997 -0.052 1.891
418 H ASP 59 H ASP 59 -1.735 -4.652 5.036
419 HA ASP 59 HA ASP 59 -0.596 -5.040 7.723
420 1HB ASP 59 1HB ASP 59 -2.872 -5.968 7.366
421 2HB ASP 59 2HB ASP 59 -2.237 -6.974 6.070
422 H CYS 60 H CYS 60 1.295 -4.430 6.005
423 HA CYS 60 HA CYS 60 2.743 -6.923 5.673
424 1HB CYS 60 1HB CYS 60 3.343 -6.421 3.322
425 2HB CYS 60 2HB CYS 60 1.622 -6.734 3.527
426 HG CYS 60 HG CYS 60 0.730 -4.394 2.789
427 HA PRO 61 HA PRO 61 5.056 -2.990 7.127
428 1HB PRO 61 1HB PRO 61 6.269 -4.467 9.169
429 2HB PRO 61 2HB PRO 61 4.914 -3.353 9.361
430 1HG PRO 61 1HG PRO 61 4.908 -6.323 9.107
431 2HG PRO 61 2HG PRO 61 3.874 -5.277 10.097
432 1HD PRO 61 1HD PRO 61 2.966 -6.383 7.839
433 2HD PRO 61 2HD PRO 61 2.499 -4.732 8.302
434 H ASP 62 H ASP 62 5.876 -6.379 6.646
435 HA ASP 62 HA ASP 62 8.647 -6.188 6.512
436 1HB ASP 62 1HB ASP 62 6.813 -8.017 4.949
437 2HB ASP 62 2HB ASP 62 8.549 -8.241 5.135
438 H LEU 63 H LEU 63 6.275 -5.926 3.853
439 HA LEU 63 HA LEU 63 8.132 -5.462 1.812
440 1HB LEU 63 1HB LEU 63 5.286 -4.485 2.035
441 2HB LEU 63 2HB LEU 63 6.247 -4.438 0.571
442 HG LEU 63 HG LEU 63 5.256 -6.889 2.018
443 1HD1 LEU 63 1HD1 LEU 63 3.778 -5.485 0.446
444 2HD1 LEU 63 2HD1 LEU 63 4.788 -6.144 -0.840
445 3HD1 LEU 63 3HD1 LEU 63 3.859 -7.229 0.196
446 1HD2 LEU 63 1HD2 LEU 63 7.401 -6.556 -0.010
447 2HD2 LEU 63 2HD2 LEU 63 7.247 -7.733 1.295
448 3HD2 LEU 63 3HD2 LEU 63 6.305 -7.926 -0.183
449 H ILE 64 H ILE 64 6.402 -3.162 3.903
450 HA ILE 64 HA ILE 64 7.256 -0.789 2.755
451 HB ILE 64 HB ILE 64 6.679 -1.466 5.636
452 1HG1 ILE 64 1HG1 ILE 64 4.713 0.028 5.207
453 2HG1 ILE 64 2HG1 ILE 64 5.215 0.130 3.525
454 1HG2 ILE 64 1HG2 ILE 64 7.369 1.244 4.510
455 2HG2 ILE 64 2HG2 ILE 64 6.721 0.946 6.123
456 3HG2 ILE 64 3HG2 ILE 64 8.311 0.322 5.681
457 1HD1 ILE 64 1HD1 ILE 64 5.094 -2.587 4.042
458 2HD1 ILE 64 2HD1 ILE 64 3.698 -1.908 4.879
459 3HD1 ILE 64 3HD1 ILE 64 3.919 -1.620 3.152
460 H ALA 65 H ALA 65 8.893 -2.901 5.057
461 HA ALA 65 HA ALA 65 11.137 -1.279 5.543
462 1HB ALA 65 1HB ALA 65 11.844 -4.065 5.575
463 2HB ALA 65 2HB ALA 65 10.260 -3.830 6.318
464 3HB ALA 65 3HB ALA 65 11.659 -2.943 6.924
465 H GLU 66 H GLU 66 10.499 -3.762 3.095
466 HA GLU 66 HA GLU 66 13.025 -3.830 1.907
467 1HB GLU 66 1HB GLU 66 10.259 -4.463 0.948
468 2HB GLU 66 2HB GLU 66 11.585 -4.444 -0.205
469 1HG GLU 66 1HG GLU 66 11.172 -6.688 0.596
470 2HG GLU 66 2HG GLU 66 12.762 -6.130 1.107
471 H PHE 67 H PHE 67 10.260 -1.716 1.283
472 HA PHE 67 HA PHE 67 11.401 -0.393 -0.949
473 1HB PHE 67 1HB PHE 67 9.079 -0.225 -0.817
474 2HB PHE 67 2HB PHE 67 9.093 0.197 0.889
475 HD1 PHE 67 HD1 PHE 67 10.436 1.555 -2.327
476 HD2 PHE 67 HD2 PHE 67 8.544 2.346 1.401
477 HE1 PHE 67 HE1 PHE 67 10.273 3.937 -2.919
478 HE2 PHE 67 HE2 PHE 67 8.378 4.727 0.819
479 HZ PHE 67 HZ PHE 67 9.242 5.529 -1.346
480 H LEU 68 H LEU 68 11.252 0.429 2.503
481 HA LEU 68 HA LEU 68 12.497 2.944 2.266
482 1HB LEU 68 1HB LEU 68 12.444 1.089 4.640
483 2HB LEU 68 2HB LEU 68 12.793 2.807 4.680
484 HG LEU 68 HG LEU 68 10.156 1.565 3.895
485 1HD1 LEU 68 1HD1 LEU 68 11.138 2.881 6.399
486 2HD1 LEU 68 2HD1 LEU 68 9.424 2.813 5.989
487 3HD1 LEU 68 3HD1 LEU 68 10.340 1.321 6.205
488 1HD2 LEU 68 1HD2 LEU 68 11.264 4.170 3.398
489 2HD2 LEU 68 2HD2 LEU 68 9.717 3.493 2.888
490 3HD2 LEU 68 3HD2 LEU 68 9.858 4.289 4.456
491 H GLN 69 H GLN 69 13.815 -0.282 2.912
492 HA GLN 69 HA GLN 69 16.425 0.425 3.540
493 1HB GLN 69 1HB GLN 69 15.366 -2.010 2.105
494 2HB GLN 69 2HB GLN 69 17.036 -1.846 2.631
495 1HG GLN 69 1HG GLN 69 16.284 -1.625 4.945
496 2HG GLN 69 2HG GLN 69 14.613 -1.797 4.415
497 1HE2 GLN 69 1HE2 GLN 69 16.403 -3.733 2.451
498 2HE2 GLN 69 2HE2 GLN 69 16.270 -5.221 3.316
499 H SER 70 H SER 70 14.868 0.131 0.402
500 HA SER 70 HA SER 70 17.068 0.141 -1.274
501 1HB SER 70 1HB SER 70 14.777 -0.143 -2.096
502 2HB SER 70 2HB SER 70 14.414 1.536 -1.697
503 HG SER 70 HG SER 70 15.231 2.067 -3.546
504 H GLN 71 H GLN 71 15.353 2.927 0.118
505 HA GLN 71 HA GLN 71 17.122 4.850 -1.041
506 1HB GLN 71 1HB GLN 71 15.140 5.110 1.220
507 2HB GLN 71 2HB GLN 71 15.966 6.455 0.443
508 1HG GLN 71 1HG GLN 71 14.889 5.926 -1.666
509 2HG GLN 71 2HG GLN 71 14.096 4.535 -0.927
510 1HE2 GLN 71 1HE2 GLN 71 12.067 4.883 -0.454
511 2HE2 GLN 71 2HE2 GLN 71 11.372 6.383 0.042
512 H LYS 72 H LYS 72 16.565 3.922 2.351
513 HA LYS 72 HA LYS 72 17.889 4.110 4.205
514 1HB LYS 72 1HB LYS 72 18.879 2.177 2.868
515 2HB LYS 72 2HB LYS 72 20.123 3.301 2.339
516 1HG LYS 72 1HG LYS 72 20.836 3.630 4.636
517 2HG LYS 72 2HG LYS 72 19.548 2.566 5.205
518 1HD LYS 72 1HD LYS 72 20.533 0.701 3.985
519 2HD LYS 72 2HD LYS 72 21.801 1.761 3.366
520 1HE LYS 72 1HE LYS 72 22.618 2.138 5.622
521 2HE LYS 72 2HE LYS 72 21.311 1.154 6.281
522 1HZ LYS 72 1HZ LYS 72 23.227 0.044 4.326
523 2HZ LYS 72 2HZ LYS 72 23.584 0.073 5.978
524 3HZ LYS 72 3HZ LYS 72 22.235 -0.782 5.418
525 H THR 73 H THR 73 20.956 4.698 3.527
526 HA THR 73 HA THR 73 20.699 7.541 3.988
527 HB THR 73 HB THR 73 23.157 7.525 4.192
528 HG1 THR 73 HG1 THR 73 24.215 5.460 4.056
529 1HG2 THR 73 1HG2 THR 73 21.427 5.691 5.756
530 2HG2 THR 73 2HG2 THR 73 23.168 5.583 6.020
531 3HG2 THR 73 3HG2 THR 73 22.330 7.114 6.276
532 H ALA 74 H ALA 74 19.690 6.768 1.517
533 HA ALA 74 HA ALA 74 19.673 7.403 -0.659
534 1HB ALA 74 1HB ALA 74 21.957 9.160 0.218
535 2HB ALA 74 2HB ALA 74 21.190 9.236 -1.368
536 3HB ALA 74 3HB ALA 74 20.256 9.606 0.082
537 H HIS 75 H HIS 75 20.297 6.266 -2.374
538 HA HIS 75 HA HIS 75 22.379 4.399 -2.226
539 1HB HIS 75 1HB HIS 75 21.964 4.063 -4.678
540 2HB HIS 75 2HB HIS 75 20.536 3.930 -3.663
541 HD1 HIS 75 HD1 HIS 75 19.781 4.353 -6.402
542 HD2 HIS 75 HD2 HIS 75 20.871 7.588 -4.034
543 HE1 HIS 75 HE1 HIS 75 18.760 6.367 -7.506
544 HE2 HIS 75 HE2 HIS 75 19.435 8.316 -6.059
545 H GLU 76 H GLU 76 22.295 7.657 -3.520
546 HA GLU 76 HA GLU 76 25.092 7.953 -3.409
547 1HB GLU 76 1HB GLU 76 25.072 6.484 -5.373
548 2HB GLU 76 2HB GLU 76 23.959 7.573 -6.189
549 1HG GLU 76 1HG GLU 76 25.667 9.334 -6.139
550 2HG GLU 76 2HG GLU 76 26.783 8.207 -5.367
551 H THR 77 H THR 77 22.190 8.992 -5.167
552 HA THR 77 HA THR 77 22.980 11.659 -5.580
553 HB THR 77 HB THR 77 20.176 10.555 -5.325
554 HG1 THR 77 HG1 THR 77 20.311 10.331 -7.563
555 1HG2 THR 77 1HG2 THR 77 21.128 13.232 -5.632
556 2HG2 THR 77 2HG2 THR 77 20.333 12.734 -7.125
557 3HG2 THR 77 3HG2 THR 77 19.464 12.650 -5.592
558 H ASP 78 H ASP 78 22.814 13.477 -4.390
559 HA ASP 78 HA ASP 78 21.161 13.799 -2.125
560 1HB ASP 78 1HB ASP 78 22.934 13.901 -0.383
561 2HB ASP 78 2HB ASP 78 22.685 12.280 -1.020
562 H LYS 79 H LYS 79 20.957 15.920 -1.635
563 HA LYS 79 HA LYS 79 22.358 17.804 -3.301
564 1HB LYS 79 1HB LYS 79 20.253 18.207 -1.172
565 2HB LYS 79 2HB LYS 79 20.879 19.481 -2.209
566 1HG LYS 79 1HG LYS 79 19.416 17.021 -3.150
567 2HG LYS 79 2HG LYS 79 18.722 18.634 -2.987
568 1HD LYS 79 1HD LYS 79 20.311 19.484 -4.646
569 2HD LYS 79 2HD LYS 79 21.007 17.870 -4.806
570 1HE LYS 79 1HE LYS 79 18.843 17.024 -5.587
571 2HE LYS 79 2HE LYS 79 18.159 18.642 -5.436
572 1HZ LYS 79 1HZ LYS 79 20.456 18.863 -6.985
573 2HZ LYS 79 2HZ LYS 79 19.597 17.535 -7.587
574 3HZ LYS 79 3HZ LYS 79 18.850 19.049 -7.485
575 H SER 80 H SER 80 24.155 16.552 -1.605
576 HA SER 80 HA SER 80 25.766 16.894 -0.029
577 1HB SER 80 1HB SER 80 26.822 19.114 -0.113
578 2HB SER 80 2HB SER 80 26.430 18.533 -1.731
579 HG SER 80 HG SER 80 25.431 20.688 -0.333
580 H1 ALA 1 H1 ALA 1 -0.104 -15.169 12.800
581 H2 ALA 1 H2 ALA 1 -1.174 -14.791 11.546
582 H3 ALA 1 H3 ALA 1 -1.584 -15.980 12.677
583 HA ALA 1 HA ALA 1 0.198 -17.389 11.918
584 1HB ALA 1 1HB ALA 1 -1.975 -16.475 10.149
585 2HB ALA 1 2HB ALA 1 -0.702 -17.424 9.383
586 3HB ALA 1 3HB ALA 1 -1.598 -18.090 10.748
587 H ARG 2 H ARG 2 -0.030 -14.350 10.116
588 HA ARG 2 HA ARG 2 1.471 -13.188 8.869
589 1HB ARG 2 1HB ARG 2 3.456 -14.778 10.506
590 2HB ARG 2 2HB ARG 2 3.864 -13.391 9.506
591 1HG ARG 2 1HG ARG 2 1.983 -13.332 11.857
592 2HG ARG 2 2HG ARG 2 3.673 -12.830 11.892
593 1HD ARG 2 1HD ARG 2 1.501 -11.615 10.188
594 2HD ARG 2 2HD ARG 2 2.169 -10.913 11.662
595 HE ARG 2 HE ARG 2 4.271 -11.393 9.876
596 1HH1 ARG 2 1HH1 ARG 2 1.472 -9.341 10.194
597 2HH1 ARG 2 2HH1 ARG 2 2.154 -8.050 9.264
598 1HH2 ARG 2 1HH2 ARG 2 5.175 -9.699 8.651
599 2HH2 ARG 2 2HH2 ARG 2 4.259 -8.253 8.387
600 H THR 3 H THR 3 0.376 -15.250 7.513
601 HA THR 3 HA THR 3 2.067 -17.157 6.396
602 HB THR 3 HB THR 3 0.509 -17.223 4.482
603 HG1 THR 3 HG1 THR 3 -0.002 -14.699 5.289
604 1HG2 THR 3 1HG2 THR 3 -0.598 -17.111 7.272
605 2HG2 THR 3 2HG2 THR 3 -1.625 -17.517 5.895
606 3HG2 THR 3 3HG2 THR 3 -0.229 -18.523 6.282
607 H GLN 5 H GLN 5 2.999 -11.574 2.240
608 HA GLN 5 HA GLN 5 2.241 -9.443 4.121
609 1HB GLN 5 1HB GLN 5 3.752 -9.336 1.509
610 2HB GLN 5 2HB GLN 5 3.203 -7.907 2.371
611 1HG GLN 5 1HG GLN 5 5.530 -8.314 2.838
612 2HG GLN 5 2HG GLN 5 4.572 -8.554 4.297
613 1HE2 GLN 5 1HE2 GLN 5 5.203 -10.220 5.449
614 2HE2 GLN 5 2HE2 GLN 5 5.882 -11.689 4.842
615 H THR 6 H THR 6 0.386 -8.336 3.815
616 HA THR 6 HA THR 6 -0.949 -8.353 1.235
617 HB THR 6 HB THR 6 -3.106 -9.138 2.196
618 HG1 THR 6 HG1 THR 6 -2.606 -8.802 4.414
619 1HG2 THR 6 1HG2 THR 6 -0.782 -11.058 2.250
620 2HG2 THR 6 2HG2 THR 6 -2.472 -11.561 2.324
621 3HG2 THR 6 3HG2 THR 6 -1.864 -10.715 0.900
622 H ALA 7 H ALA 7 -2.483 -6.737 0.982
623 HA ALA 7 HA ALA 7 -3.148 -5.024 3.237
624 1HB ALA 7 1HB ALA 7 -1.003 -4.137 2.358
625 2HB ALA 7 2HB ALA 7 -2.340 -2.994 2.228
626 3HB ALA 7 3HB ALA 7 -1.789 -3.873 0.801
627 H ARG 8 H ARG 8 -5.176 -4.315 3.078
628 HA ARG 8 HA ARG 8 -6.739 -5.029 0.773
629 1HB ARG 8 1HB ARG 8 -7.527 -3.585 3.306
630 2HB ARG 8 2HB ARG 8 -8.642 -4.198 2.092
631 1HG ARG 8 1HG ARG 8 -7.935 -6.470 2.545
632 2HG ARG 8 2HG ARG 8 -6.746 -5.885 3.711
633 1HD ARG 8 1HD ARG 8 -9.738 -5.564 3.914
634 2HD ARG 8 2HD ARG 8 -8.756 -6.708 4.827
635 HE ARG 8 HE ARG 8 -9.211 -4.012 5.485
636 1HH1 ARG 8 1HH1 ARG 8 -6.638 -6.366 5.400
637 2HH1 ARG 8 2HH1 ARG 8 -5.732 -5.608 6.667
638 1HH2 ARG 8 1HH2 ARG 8 -8.025 -3.015 7.155
639 2HH2 ARG 8 2HH2 ARG 8 -6.520 -3.705 7.664
640 H SER 10 H SER 10 -7.230 -0.812 1.512
641 HA SER 10 HA SER 10 -7.992 0.641 3.082
642 1HB SER 10 1HB SER 10 -7.293 2.325 1.455
643 2HB SER 10 2HB SER 10 -8.845 2.201 0.627
644 HG SER 10 HG SER 10 -9.430 3.723 1.951
645 H THR 11 H THR 11 -9.652 -1.516 2.516
646 HA THR 11 HA THR 11 -12.359 -0.749 2.125
647 HB THR 11 HB THR 11 -12.911 -3.024 2.922
648 HG1 THR 11 HG1 THR 11 -10.105 -3.178 3.414
649 1HG2 THR 11 1HG2 THR 11 -10.851 -2.533 0.829
650 2HG2 THR 11 2HG2 THR 11 -11.238 -4.203 1.244
651 3HG2 THR 11 3HG2 THR 11 -12.506 -3.121 0.669
652 H GLY 12 H GLY 12 -12.929 -2.633 4.621
653 1HA GLY 12 1HA GLY 12 -13.674 -2.315 6.766
654 2HA GLY 12 2HA GLY 12 -13.974 -0.652 6.283
655 H GLY 13 H GLY 13 -13.271 0.436 8.048
656 1HA GLY 13 1HA GLY 13 -10.572 1.010 8.373
657 2HA GLY 13 2HA GLY 13 -10.955 -0.254 9.533
658 H LYS 14 H LYS 14 -10.358 2.800 9.549
659 HA LYS 14 HA LYS 14 -10.903 4.620 10.793
660 1HB LYS 14 1HB LYS 14 -13.704 3.485 10.706
661 2HB LYS 14 2HB LYS 14 -13.277 5.107 11.232
662 1HG LYS 14 1HG LYS 14 -12.464 5.637 9.003
663 2HG LYS 14 2HG LYS 14 -12.837 3.999 8.467
664 1HD LYS 14 1HD LYS 14 -14.856 5.980 9.519
665 2HD LYS 14 2HD LYS 14 -14.564 5.644 7.812
666 1HE LYS 14 1HE LYS 14 -15.208 3.307 8.166
667 2HE LYS 14 2HE LYS 14 -15.496 3.646 9.872
668 1HZ LYS 14 1HZ LYS 14 -16.953 5.509 8.414
669 2HZ LYS 14 2HZ LYS 14 -17.235 4.009 7.686
670 3HZ LYS 14 3HZ LYS 14 -17.550 4.222 9.335
671 H ALA 15 H ALA 15 -13.203 2.271 12.163
672 HA ALA 15 HA ALA 15 -13.441 1.387 14.239
673 1HB ALA 15 1HB ALA 15 -10.535 1.606 13.906
674 2HB ALA 15 2HB ALA 15 -11.086 1.505 15.579
675 3HB ALA 15 3HB ALA 15 -11.522 0.241 14.429
676 HA PRO 16 HA PRO 16 -14.461 4.938 16.690
677 1HB PRO 16 1HB PRO 16 -14.996 3.619 19.044
678 2HB PRO 16 2HB PRO 16 -16.133 3.757 17.699
679 1HG PRO 16 1HG PRO 16 -14.321 1.491 18.425
680 2HG PRO 16 2HG PRO 16 -16.001 1.447 17.859
681 1HD PRO 16 1HD PRO 16 -13.949 0.913 16.214
682 2HD PRO 16 2HD PRO 16 -15.395 1.773 15.646
683 H GLY 17 H GLY 17 -13.240 6.346 17.789
684 1HA GLY 17 1HA GLY 17 -11.480 7.217 18.978
685 2HA GLY 17 2HA GLY 17 -10.603 5.753 18.565
686 H GLY 18 H GLY 18 -9.660 5.198 20.446
687 1HA GLY 18 1HA GLY 18 -10.777 5.555 23.004
688 2HA GLY 18 2HA GLY 18 -9.443 4.480 22.616
No H/Q in entry = 688
Start of MODEL 9
1 H1 HIS 8 H1 HIS 8 -30.149 -12.606 15.859
2 H2 HIS 8 H2 HIS 8 -28.891 -13.598 16.403
3 H3 HIS 8 H3 HIS 8 -30.360 -13.556 17.243
4 HA HIS 8 HA HIS 8 -29.995 -11.418 18.058
5 1HB HIS 8 1HB HIS 8 -28.693 -13.229 19.139
6 2HB HIS 8 2HB HIS 8 -27.344 -12.885 18.062
7 HD1 HIS 8 HD1 HIS 8 -26.752 -10.066 18.250
8 HD2 HIS 8 HD2 HIS 8 -28.231 -12.119 21.547
9 HE1 HIS 8 HE1 HIS 8 -26.096 -8.690 20.250
10 HE2 HIS 8 HE2 HIS 8 -26.937 -9.989 22.237
11 H MET 9 H MET 9 -27.586 -12.249 15.600
12 HA MET 9 HA MET 9 -27.664 -9.690 14.404
13 1HB MET 9 1HB MET 9 -25.516 -8.801 14.969
14 2HB MET 9 2HB MET 9 -26.349 -9.157 16.476
15 1HG MET 9 1HG MET 9 -24.231 -10.866 15.189
16 2HG MET 9 2HG MET 9 -23.998 -9.790 16.566
17 1HE MET 9 1HE MET 9 -23.033 -12.597 16.545
18 2HE MET 9 2HE MET 9 -23.026 -11.950 18.186
19 3HE MET 9 3HE MET 9 -23.734 -13.533 17.864
20 H VAL 10 H VAL 10 -26.757 -9.730 12.380
21 HA VAL 10 HA VAL 10 -26.241 -12.189 11.172
22 HB VAL 10 HB VAL 10 -25.369 -10.899 9.248
23 1HG1 VAL 10 1HG1 VAL 10 -27.934 -10.911 10.286
24 2HG1 VAL 10 2HG1 VAL 10 -27.648 -9.219 9.879
25 3HG1 VAL 10 3HG1 VAL 10 -27.471 -10.465 8.643
26 1HG2 VAL 10 1HG2 VAL 10 -24.294 -9.151 10.800
27 2HG2 VAL 10 2HG2 VAL 10 -25.011 -8.592 9.290
28 3HG2 VAL 10 3HG2 VAL 10 -25.884 -8.390 10.809
29 H GLU 11 H GLU 11 -24.459 -13.393 10.848
30 HA GLU 11 HA GLU 11 -22.349 -14.193 11.112
31 1HB GLU 11 1HB GLU 11 -21.915 -12.232 9.568
32 2HB GLU 11 2HB GLU 11 -21.453 -11.311 10.991
33 1HG GLU 11 1HG GLU 11 -19.482 -12.130 9.907
34 2HG GLU 11 2HG GLU 11 -19.681 -12.966 11.446
35 H GLU 12 H GLU 12 -20.491 -11.887 12.512
36 HA GLU 12 HA GLU 12 -21.366 -11.744 15.165
37 1HB GLU 12 1HB GLU 12 -20.970 -14.253 14.934
38 2HB GLU 12 2HB GLU 12 -19.259 -13.876 14.794
39 1HG GLU 12 1HG GLU 12 -19.304 -12.840 17.006
40 2HG GLU 12 2HG GLU 12 -21.020 -13.220 17.147
41 H VAL 13 H VAL 13 -18.294 -12.524 15.776
42 HA VAL 13 HA VAL 13 -17.373 -9.878 15.912
43 HB VAL 13 HB VAL 13 -16.479 -11.644 17.351
44 1HG1 VAL 13 1HG1 VAL 13 -16.054 -12.979 14.850
45 2HG1 VAL 13 2HG1 VAL 13 -14.537 -12.875 15.743
46 3HG1 VAL 13 3HG1 VAL 13 -15.950 -13.619 16.489
47 1HG2 VAL 13 1HG2 VAL 13 -14.964 -9.674 15.979
48 2HG2 VAL 13 2HG2 VAL 13 -14.718 -10.319 17.603
49 3HG2 VAL 13 3HG2 VAL 13 -13.936 -11.086 16.220
50 H LEU 14 H LEU 14 -16.119 -8.645 14.584
51 HA LEU 14 HA LEU 14 -14.700 -9.689 12.345
52 1HB LEU 14 1HB LEU 14 -16.935 -9.877 11.416
53 2HB LEU 14 2HB LEU 14 -17.273 -8.204 11.817
54 HG LEU 14 HG LEU 14 -15.522 -7.496 10.210
55 1HD1 LEU 14 1HD1 LEU 14 -14.698 -10.137 10.374
56 2HD1 LEU 14 2HD1 LEU 14 -15.406 -9.998 8.764
57 3HD1 LEU 14 3HD1 LEU 14 -14.103 -8.914 9.252
58 1HD2 LEU 14 1HD2 LEU 14 -18.095 -8.304 9.716
59 2HD2 LEU 14 2HD2 LEU 14 -17.069 -7.403 8.602
60 3HD2 LEU 14 3HD2 LEU 14 -17.174 -9.159 8.479
61 H GLU 15 H GLU 15 -13.072 -8.354 11.905
62 HA GLU 15 HA GLU 15 -12.850 -5.852 13.266
63 1HB GLU 15 1HB GLU 15 -11.071 -7.085 11.154
64 2HB GLU 15 2HB GLU 15 -10.656 -5.701 12.155
65 1HG GLU 15 1HG GLU 15 -11.213 -8.484 13.161
66 2HG GLU 15 2HG GLU 15 -9.618 -7.763 12.952
67 H GLU 16 H GLU 16 -11.293 -4.770 10.833
68 HA GLU 16 HA GLU 16 -13.368 -3.062 9.903
69 1HB GLU 16 1HB GLU 16 -11.623 -2.112 8.433
70 2HB GLU 16 2HB GLU 16 -11.113 -2.220 10.112
71 1HG GLU 16 1HG GLU 16 -9.884 -4.289 9.564
72 2HG GLU 16 2HG GLU 16 -10.326 -4.065 7.871
73 H GLU 17 H GLU 17 -14.447 -3.012 8.000
74 HA GLU 17 HA GLU 17 -14.988 -5.397 6.665
75 1HB GLU 17 1HB GLU 17 -16.530 -3.488 6.729
76 2HB GLU 17 2HB GLU 17 -15.440 -2.569 5.701
77 1HG GLU 17 1HG GLU 17 -17.293 -3.452 4.421
78 2HG GLU 17 2HG GLU 17 -15.774 -4.180 3.898
79 H GLU 18 H GLU 18 -12.556 -2.981 6.053
80 HA GLU 18 HA GLU 18 -11.950 -3.310 3.412
81 1HB GLU 18 1HB GLU 18 -9.986 -3.059 5.658
82 2HB GLU 18 2HB GLU 18 -9.644 -2.719 3.973
83 1HG GLU 18 1HG GLU 18 -11.307 -0.917 4.013
84 2HG GLU 18 2HG GLU 18 -11.615 -1.253 5.717
85 H GLU 19 H GLU 19 -11.176 -4.852 2.134
86 HA GLU 19 HA GLU 19 -10.542 -7.441 3.304
87 1HB GLU 19 1HB GLU 19 -11.107 -6.582 0.482
88 2HB GLU 19 2HB GLU 19 -10.655 -8.221 0.933
89 1HG GLU 19 1HG GLU 19 -13.080 -6.726 1.905
90 2HG GLU 19 2HG GLU 19 -13.054 -7.989 0.683
91 H GLU 20 H GLU 20 -8.685 -8.632 2.811
92 HA GLU 20 HA GLU 20 -6.301 -7.061 2.466
93 1HB GLU 20 1HB GLU 20 -6.656 -10.055 2.707
94 2HB GLU 20 2HB GLU 20 -5.123 -9.201 2.787
95 1HG GLU 20 1HG GLU 20 -5.782 -8.092 4.811
96 2HG GLU 20 2HG GLU 20 -7.400 -8.785 4.707
97 H TYR 21 H TYR 21 -5.001 -6.912 0.708
98 HA TYR 21 HA TYR 21 -5.687 -8.526 -1.656
99 1HB TYR 21 1HB TYR 21 -5.212 -5.553 -1.511
100 2HB TYR 21 2HB TYR 21 -5.026 -6.450 -3.013
101 HD1 TYR 21 HD1 TYR 21 -6.810 -6.326 -4.444
102 HD2 TYR 21 HD2 TYR 21 -7.562 -6.219 -0.258
103 HE1 TYR 21 HE1 TYR 21 -9.216 -6.091 -4.887
104 HE2 TYR 21 HE2 TYR 21 -9.971 -5.987 -0.690
105 HH TYR 21 HH TYR 21 -11.553 -5.775 -2.231
106 H VAL 22 H VAL 22 -4.007 -9.271 -2.866
107 HA VAL 22 HA VAL 22 -1.517 -9.662 -1.713
108 HB VAL 22 HB VAL 22 -2.129 -9.651 -4.672
109 1HG1 VAL 22 1HG1 VAL 22 0.166 -10.656 -3.044
110 2HG1 VAL 22 2HG1 VAL 22 -0.278 -11.477 -4.541
111 3HG1 VAL 22 3HG1 VAL 22 0.174 -9.772 -4.570
112 1HG2 VAL 22 1HG2 VAL 22 -3.647 -11.080 -3.314
113 2HG2 VAL 22 2HG2 VAL 22 -2.653 -11.982 -4.459
114 3HG2 VAL 22 3HG2 VAL 22 -2.232 -11.968 -2.746
115 H VAL 23 H VAL 23 0.453 -8.663 -1.836
116 HA VAL 23 HA VAL 23 0.582 -6.122 -3.318
117 HB VAL 23 HB VAL 23 1.547 -6.614 -0.498
118 1HG1 VAL 23 1HG1 VAL 23 2.043 -4.343 -2.397
119 2HG1 VAL 23 2HG1 VAL 23 2.128 -4.132 -0.649
120 3HG1 VAL 23 3HG1 VAL 23 3.211 -5.267 -1.454
121 1HG2 VAL 23 1HG2 VAL 23 -0.860 -6.177 -0.722
122 2HG2 VAL 23 2HG2 VAL 23 -0.023 -4.866 0.111
123 3HG2 VAL 23 3HG2 VAL 23 -0.497 -4.677 -1.577
124 H GLU 24 H GLU 24 2.295 -5.934 -4.595
125 HA GLU 24 HA GLU 24 4.317 -7.995 -4.595
126 1HB GLU 24 1HB GLU 24 3.410 -7.173 -6.714
127 2HB GLU 24 2HB GLU 24 3.981 -5.550 -6.345
128 1HG GLU 24 1HG GLU 24 6.288 -6.345 -6.404
129 2HG GLU 24 2HG GLU 24 5.718 -7.972 -6.768
130 H LYS 25 H LYS 25 4.327 -4.437 -4.341
131 HA LYS 25 HA LYS 25 6.135 -4.272 -2.221
132 1HB LYS 25 1HB LYS 25 7.792 -5.230 -3.722
133 2HB LYS 25 2HB LYS 25 7.425 -4.021 -4.945
134 1HG LYS 25 1HG LYS 25 8.262 -2.267 -3.449
135 2HG LYS 25 2HG LYS 25 8.653 -3.496 -2.244
136 1HD LYS 25 1HD LYS 25 10.227 -4.532 -3.781
137 2HD LYS 25 2HD LYS 25 9.799 -3.365 -5.033
138 1HE LYS 25 1HE LYS 25 11.898 -2.768 -3.924
139 2HE LYS 25 2HE LYS 25 10.652 -1.549 -3.658
140 1HZ LYS 25 1HZ LYS 25 10.417 -3.337 -1.572
141 2HZ LYS 25 2HZ LYS 25 12.081 -3.088 -1.754
142 3HZ LYS 25 3HZ LYS 25 11.053 -1.770 -1.503
143 H VAL 26 H VAL 26 6.294 -2.162 -1.496
144 HA VAL 26 HA VAL 26 4.546 -0.250 -2.610
145 HB VAL 26 HB VAL 26 5.644 1.406 -1.099
146 1HG1 VAL 26 1HG1 VAL 26 4.440 -1.121 -0.219
147 2HG1 VAL 26 2HG1 VAL 26 5.240 -0.156 1.024
148 3HG1 VAL 26 3HG1 VAL 26 3.940 0.547 0.055
149 1HG2 VAL 26 1HG2 VAL 26 7.861 0.097 -1.275
150 2HG2 VAL 26 2HG2 VAL 26 7.430 0.926 0.220
151 3HG2 VAL 26 3HG2 VAL 26 7.202 -0.819 0.085
152 H LEU 27 H LEU 27 4.827 1.338 -4.042
153 HA LEU 27 HA LEU 27 7.349 1.418 -5.453
154 1HB LEU 27 1HB LEU 27 4.710 2.763 -5.994
155 2HB LEU 27 2HB LEU 27 6.135 2.990 -6.986
156 HG LEU 27 HG LEU 27 4.684 1.414 -8.065
157 1HD1 LEU 27 1HD1 LEU 27 7.332 0.716 -7.170
158 2HD1 LEU 27 2HD1 LEU 27 6.355 -0.723 -7.456
159 3HD1 LEU 27 3HD1 LEU 27 6.570 0.466 -8.740
160 1HD2 LEU 27 1HD2 LEU 27 3.864 0.683 -5.587
161 2HD2 LEU 27 2HD2 LEU 27 3.528 -0.224 -7.061
162 3HD2 LEU 27 3HD2 LEU 27 4.881 -0.689 -6.029
163 H ASP 28 H ASP 28 5.769 3.143 -2.943
164 HA ASP 28 HA ASP 28 7.982 4.860 -2.573
165 1HB ASP 28 1HB ASP 28 6.879 5.836 -4.681
166 2HB ASP 28 2HB ASP 28 5.604 6.394 -3.605
167 H ARG 29 H ARG 29 6.292 7.146 -1.643
168 HA ARG 29 HA ARG 29 4.498 6.227 0.363
169 1HB ARG 29 1HB ARG 29 6.488 5.469 1.490
170 2HB ARG 29 2HB ARG 29 7.306 6.994 1.179
171 1HG ARG 29 1HG ARG 29 5.570 8.105 2.613
172 2HG ARG 29 2HG ARG 29 5.012 6.489 3.055
173 1HD ARG 29 1HD ARG 29 6.551 7.372 4.728
174 2HD ARG 29 2HD ARG 29 7.231 5.956 3.927
175 HE ARG 29 HE ARG 29 8.971 7.274 3.304
176 1HH1 ARG 29 1HH1 ARG 29 6.175 9.319 3.720
177 2HH1 ARG 29 2HH1 ARG 29 7.026 10.775 3.325
178 1HH2 ARG 29 1HH2 ARG 29 10.092 9.192 2.788
179 2HH2 ARG 29 2HH2 ARG 29 9.247 10.704 2.798
180 H ARG 30 H ARG 30 3.240 7.924 1.049
181 HA ARG 30 HA ARG 30 4.258 10.629 0.966
182 1HB ARG 30 1HB ARG 30 2.627 11.505 -0.599
183 2HB ARG 30 2HB ARG 30 3.602 10.266 -1.377
184 1HG ARG 30 1HG ARG 30 1.811 8.660 -1.146
185 2HG ARG 30 2HG ARG 30 0.838 9.838 -0.263
186 1HD ARG 30 1HD ARG 30 0.831 11.292 -2.245
187 2HD ARG 30 2HD ARG 30 1.763 10.081 -3.124
188 HE ARG 30 HE ARG 30 -0.525 8.833 -2.145
189 1HH1 ARG 30 1HH1 ARG 30 0.308 11.352 -4.405
190 2HH1 ARG 30 2HH1 ARG 30 -1.066 11.070 -5.422
191 1HH2 ARG 30 1HH2 ARG 30 -2.334 8.456 -3.476
192 2HH2 ARG 30 2HH2 ARG 30 -2.568 9.424 -4.893
193 H VAL 31 H VAL 31 3.145 12.042 2.229
194 HA VAL 31 HA VAL 31 0.829 10.955 3.696
195 HB VAL 31 HB VAL 31 2.815 13.040 4.625
196 1HG1 VAL 31 1HG1 VAL 31 0.218 12.148 5.632
197 2HG1 VAL 31 2HG1 VAL 31 1.504 12.124 6.839
198 3HG1 VAL 31 3HG1 VAL 31 1.128 13.618 5.981
199 1HG2 VAL 31 1HG2 VAL 31 2.881 10.153 4.696
200 2HG2 VAL 31 2HG2 VAL 31 4.126 11.319 5.144
201 3HG2 VAL 31 3HG2 VAL 31 2.907 10.835 6.323
202 H VAL 32 H VAL 32 -1.044 12.153 3.777
203 HA VAL 32 HA VAL 32 -1.033 14.617 2.169
204 HB VAL 32 HB VAL 32 -3.449 14.308 1.905
205 1HG1 VAL 32 1HG1 VAL 32 -1.644 12.034 1.144
206 2HG1 VAL 32 2HG1 VAL 32 -3.320 12.121 0.602
207 3HG1 VAL 32 3HG1 VAL 32 -2.182 13.392 0.156
208 1HG2 VAL 32 1HG2 VAL 32 -2.965 12.037 3.776
209 2HG2 VAL 32 2HG2 VAL 32 -4.276 13.215 3.751
210 3HG2 VAL 32 3HG2 VAL 32 -4.245 11.905 2.571
211 H LYS 33 H LYS 33 -2.105 13.281 5.248
212 HA LYS 33 HA LYS 33 -1.913 15.808 6.537
213 1HB LYS 33 1HB LYS 33 -4.286 16.057 7.152
214 2HB LYS 33 2HB LYS 33 -4.033 16.212 5.419
215 1HG LYS 33 1HG LYS 33 -4.766 13.855 5.150
216 2HG LYS 33 2HG LYS 33 -5.132 13.817 6.877
217 1HD LYS 33 1HD LYS 33 -6.707 15.682 6.567
218 2HD LYS 33 2HD LYS 33 -6.365 15.667 4.836
219 1HE LYS 33 1HE LYS 33 -8.428 14.481 5.300
220 2HE LYS 33 2HE LYS 33 -7.202 13.366 4.700
221 1HZ LYS 33 1HZ LYS 33 -6.740 12.833 7.093
222 2HZ LYS 33 2HZ LYS 33 -8.139 13.696 7.492
223 3HZ LYS 33 3HZ LYS 33 -8.246 12.318 6.518
224 H GLY 34 H GLY 34 -0.714 13.412 7.050
225 1HA GLY 34 1HA GLY 34 -2.042 12.566 9.549
226 2HA GLY 34 2HA GLY 34 -0.302 12.738 9.386
227 H LYS 35 H LYS 35 -2.438 11.279 6.990
228 HA LYS 35 HA LYS 35 -1.744 8.600 7.794
229 1HB LYS 35 1HB LYS 35 -3.090 7.965 5.791
230 2HB LYS 35 2HB LYS 35 -3.958 8.940 6.965
231 1HG LYS 35 1HG LYS 35 -3.580 10.921 5.581
232 2HG LYS 35 2HG LYS 35 -2.738 9.923 4.396
233 1HD LYS 35 1HD LYS 35 -5.058 10.339 3.741
234 2HD LYS 35 2HD LYS 35 -4.760 8.623 4.029
235 1HE LYS 35 1HE LYS 35 -6.895 9.324 4.989
236 2HE LYS 35 2HE LYS 35 -5.767 8.814 6.245
237 1HZ LYS 35 1HZ LYS 35 -5.526 11.595 5.747
238 2HZ LYS 35 2HZ LYS 35 -7.131 11.203 6.110
239 3HZ LYS 35 3HZ LYS 35 -5.895 10.797 7.192
240 H VAL 36 H VAL 36 -0.425 7.184 6.737
241 HA VAL 36 HA VAL 36 1.383 8.372 4.735
242 HB VAL 36 HB VAL 36 2.060 5.903 6.289
243 1HG1 VAL 36 1HG1 VAL 36 3.363 6.947 4.289
244 2HG1 VAL 36 2HG1 VAL 36 3.955 8.071 5.513
245 3HG1 VAL 36 3HG1 VAL 36 4.237 6.340 5.695
246 1HG2 VAL 36 1HG2 VAL 36 1.525 8.422 7.489
247 2HG2 VAL 36 2HG2 VAL 36 2.146 6.949 8.238
248 3HG2 VAL 36 3HG2 VAL 36 3.264 8.133 7.558
249 H GLU 37 H GLU 37 0.230 7.815 2.868
250 HA GLU 37 HA GLU 37 -0.533 5.040 2.467
251 1HB GLU 37 1HB GLU 37 -1.462 5.850 0.321
252 2HB GLU 37 2HB GLU 37 -2.093 6.720 1.712
253 1HG GLU 37 1HG GLU 37 -0.441 8.517 1.248
254 2HG GLU 37 2HG GLU 37 -0.003 7.667 -0.231
255 H TYR 38 H TYR 38 0.621 3.586 1.438
256 HA TYR 38 HA TYR 38 3.062 4.425 0.033
257 1HB TYR 38 1HB TYR 38 2.292 1.895 1.453
258 2HB TYR 38 2HB TYR 38 3.612 1.921 0.292
259 HD1 TYR 38 HD1 TYR 38 5.737 2.317 1.067
260 HD2 TYR 38 HD2 TYR 38 2.440 3.786 3.323
261 HE1 TYR 38 HE1 TYR 38 7.284 3.085 2.814
262 HE2 TYR 38 HE2 TYR 38 3.980 4.565 5.067
263 HH TYR 38 HH TYR 38 6.489 3.741 5.808
264 H LEU 39 H LEU 39 3.190 4.225 -2.102
265 HA LEU 39 HA LEU 39 1.045 3.338 -3.685
266 1HB LEU 39 1HB LEU 39 2.829 4.912 -4.426
267 2HB LEU 39 2HB LEU 39 3.958 3.573 -4.466
268 HG LEU 39 HG LEU 39 2.834 2.562 -6.307
269 1HD1 LEU 39 1HD1 LEU 39 0.598 4.096 -5.333
270 2HD1 LEU 39 2HD1 LEU 39 0.806 4.278 -7.075
271 3HD1 LEU 39 3HD1 LEU 39 0.624 2.671 -6.372
272 1HD2 LEU 39 1HD2 LEU 39 2.957 5.543 -6.729
273 2HD2 LEU 39 2HD2 LEU 39 4.302 4.414 -6.891
274 3HD2 LEU 39 3HD2 LEU 39 2.936 4.324 -8.004
275 H LEU 40 H LEU 40 0.687 1.356 -4.774
276 HA LEU 40 HA LEU 40 2.586 -0.801 -4.219
277 1HB LEU 40 1HB LEU 40 -0.318 -0.843 -3.406
278 2HB LEU 40 2HB LEU 40 0.729 -2.251 -3.404
279 HG LEU 40 HG LEU 40 1.320 0.224 -1.784
280 1HD1 LEU 40 1HD1 LEU 40 -0.374 -2.144 -1.156
281 2HD1 LEU 40 2HD1 LEU 40 0.615 -1.412 0.110
282 3HD1 LEU 40 3HD1 LEU 40 -0.602 -0.447 -0.729
283 1HD2 LEU 40 1HD2 LEU 40 2.668 -2.272 -2.312
284 2HD2 LEU 40 2HD2 LEU 40 3.255 -0.808 -1.520
285 3HD2 LEU 40 3HD2 LEU 40 2.377 -2.025 -0.589
286 H LYS 41 H LYS 41 2.791 -2.239 -5.784
287 HA LYS 41 HA LYS 41 1.151 -1.973 -8.171
288 1HB LYS 41 1HB LYS 41 3.688 -2.192 -8.190
289 2HB LYS 41 2HB LYS 41 3.465 -3.864 -7.704
290 1HG LYS 41 1HG LYS 41 2.278 -2.696 -10.210
291 2HG LYS 41 2HG LYS 41 3.854 -3.482 -10.151
292 1HD LYS 41 1HD LYS 41 2.786 -5.541 -9.351
293 2HD LYS 41 2HD LYS 41 1.212 -4.748 -9.428
294 1HE LYS 41 1HE LYS 41 3.064 -5.233 -11.759
295 2HE LYS 41 2HE LYS 41 1.608 -6.157 -11.390
296 1HZ LYS 41 1HZ LYS 41 0.616 -3.695 -11.459
297 2HZ LYS 41 2HZ LYS 41 1.880 -3.516 -12.568
298 3HZ LYS 41 3HZ LYS 41 0.696 -4.698 -12.819
299 H TRP 42 H TRP 42 -0.813 -2.876 -7.719
300 HA TRP 42 HA TRP 42 -1.107 -5.294 -6.260
301 1HB TRP 42 1HB TRP 42 -3.160 -3.955 -8.025
302 2HB TRP 42 2HB TRP 42 -3.459 -5.061 -6.683
303 HD1 TRP 42 HD1 TRP 42 -2.763 -1.422 -7.449
304 HE1 TRP 42 HE1 TRP 42 -2.867 -0.055 -5.272
305 HE3 TRP 42 HE3 TRP 42 -3.012 -5.266 -4.083
306 HZ2 TRP 42 HZ2 TRP 42 -3.020 -0.540 -2.498
307 HZ3 TRP 42 HZ3 TRP 42 -3.133 -4.725 -1.685
308 HH2 TRP 42 HH2 TRP 42 -3.136 -2.410 -0.911
309 H LYS 43 H LYS 43 -1.366 -7.333 -6.884
310 HA LYS 43 HA LYS 43 -0.437 -8.171 -9.418
311 1HB LYS 43 1HB LYS 43 -0.143 -9.544 -7.436
312 2HB LYS 43 2HB LYS 43 -1.882 -9.688 -7.237
313 1HG LYS 43 1HG LYS 43 -1.987 -10.894 -9.396
314 2HG LYS 43 2HG LYS 43 -0.227 -10.826 -9.480
315 1HD LYS 43 1HD LYS 43 -0.951 -12.978 -8.609
316 2HD LYS 43 2HD LYS 43 -0.089 -12.071 -7.365
317 1HE LYS 43 1HE LYS 43 -2.089 -13.162 -6.466
318 2HE LYS 43 2HE LYS 43 -2.203 -11.406 -6.362
319 1HZ LYS 43 1HZ LYS 43 -3.333 -12.762 -8.707
320 2HZ LYS 43 2HZ LYS 43 -4.189 -12.813 -7.248
321 3HZ LYS 43 3HZ LYS 43 -3.816 -11.322 -7.959
322 H GLY 44 H GLY 44 -1.494 -8.982 -11.191
323 1HA GLY 44 1HA GLY 44 -4.346 -9.380 -11.214
324 2HA GLY 44 2HA GLY 44 -3.258 -9.540 -12.583
325 H PHE 45 H PHE 45 -4.034 -6.800 -10.442
326 HA PHE 45 HA PHE 45 -5.561 -5.395 -12.350
327 1HB PHE 45 1HB PHE 45 -4.076 -4.427 -9.899
328 2HB PHE 45 2HB PHE 45 -5.141 -3.408 -10.860
329 HD1 PHE 45 HD1 PHE 45 -7.112 -3.002 -9.782
330 HD2 PHE 45 HD2 PHE 45 -5.393 -6.886 -9.504
331 HE1 PHE 45 HE1 PHE 45 -9.040 -3.758 -8.454
332 HE2 PHE 45 HE2 PHE 45 -7.320 -7.648 -8.179
333 HZ PHE 45 HZ PHE 45 -9.147 -6.084 -7.652
334 H SER 46 H SER 46 -5.037 -3.803 -13.800
335 HA SER 46 HA SER 46 -2.654 -3.918 -15.167
336 1HB SER 46 1HB SER 46 -4.514 -1.539 -14.933
337 2HB SER 46 2HB SER 46 -3.291 -1.757 -16.185
338 HG SER 46 HG SER 46 -4.741 -2.853 -17.220
339 H ASP 47 H ASP 47 -0.710 -2.891 -15.094
340 HA ASP 47 HA ASP 47 0.370 -2.104 -12.681
341 1HB ASP 47 1HB ASP 47 1.686 -2.762 -14.672
342 2HB ASP 47 2HB ASP 47 1.280 -1.227 -15.432
343 H GLU 48 H GLU 48 -0.892 -0.036 -15.279
344 HA GLU 48 HA GLU 48 -0.285 2.436 -14.159
345 1HB GLU 48 1HB GLU 48 -2.099 3.309 -15.589
346 2HB GLU 48 2HB GLU 48 -1.026 2.218 -16.453
347 1HG GLU 48 1HG GLU 48 -2.665 0.419 -16.199
348 2HG GLU 48 2HG GLU 48 -3.741 1.527 -15.349
349 H ASP 49 H ASP 49 -2.893 0.212 -13.470
350 HA ASP 49 HA ASP 49 -4.457 2.073 -11.973
351 1HB ASP 49 1HB ASP 49 -4.537 -0.934 -12.211
352 2HB ASP 49 2HB ASP 49 -5.693 -0.002 -11.267
353 H ASN 50 H ASN 50 -1.784 2.087 -10.999
354 HA ASN 50 HA ASN 50 -1.540 0.498 -8.651
355 1HB ASN 50 1HB ASN 50 -0.125 2.984 -9.601
356 2HB ASN 50 2HB ASN 50 0.208 2.278 -8.024
357 1HD2 ASN 50 1HD2 ASN 50 1.427 2.481 -10.960
358 2HD2 ASN 50 2HD2 ASN 50 2.184 0.936 -11.115
359 H THR 51 H THR 51 -1.976 0.988 -6.513
360 HA THR 51 HA THR 51 -3.396 3.505 -5.987
361 HB THR 51 HB THR 51 -4.373 0.768 -5.153
362 HG1 THR 51 HG1 THR 51 -5.339 0.923 -7.031
363 1HG2 THR 51 1HG2 THR 51 -4.669 2.860 -3.591
364 2HG2 THR 51 2HG2 THR 51 -5.927 3.285 -4.752
365 3HG2 THR 51 3HG2 THR 51 -6.015 1.756 -3.877
366 H TRP 52 H TRP 52 -2.731 4.503 -4.211
367 HA TRP 52 HA TRP 52 -0.747 3.306 -2.512
368 1HB TRP 52 1HB TRP 52 -2.113 5.988 -2.214
369 2HB TRP 52 2HB TRP 52 -0.609 5.479 -1.472
370 HD1 TRP 52 HD1 TRP 52 -1.873 5.739 -5.150
371 HE1 TRP 52 HE1 TRP 52 0.030 6.762 -6.551
372 HE3 TRP 52 HE3 TRP 52 1.624 6.299 -1.476
373 HZ2 TRP 52 HZ2 TRP 52 2.661 7.697 -6.145
374 HZ3 TRP 52 HZ3 TRP 52 3.800 7.263 -2.057
375 HH2 TRP 52 HH2 TRP 52 4.315 7.949 -4.345
376 H GLU 53 H GLU 53 -0.946 2.946 -0.254
377 HA GLU 53 HA GLU 53 -3.659 3.036 0.851
378 1HB GLU 53 1HB GLU 53 -1.894 0.583 0.857
379 2HB GLU 53 2HB GLU 53 -3.402 0.740 1.746
380 1HG GLU 53 1HG GLU 53 -3.147 0.918 -1.246
381 2HG GLU 53 2HG GLU 53 -3.617 -0.529 -0.357
382 HA PRO 54 HA PRO 54 -1.463 4.817 4.293
383 1HB PRO 54 1HB PRO 54 -3.837 3.846 5.800
384 2HB PRO 54 2HB PRO 54 -3.133 5.466 5.730
385 1HG PRO 54 1HG PRO 54 -5.396 4.917 4.443
386 2HG PRO 54 2HG PRO 54 -4.169 5.971 3.714
387 1HD PRO 54 1HD PRO 54 -4.803 3.108 3.124
388 2HD PRO 54 2HD PRO 54 -4.360 4.417 2.010
389 H GLU 55 H GLU 55 -0.156 4.060 5.892
390 HA GLU 55 HA GLU 55 0.635 1.438 5.981
391 1HB GLU 55 1HB GLU 55 0.829 3.489 8.193
392 2HB GLU 55 2HB GLU 55 1.771 2.010 8.085
393 1HG GLU 55 1HG GLU 55 2.755 2.808 5.987
394 2HG GLU 55 2HG GLU 55 1.852 4.313 6.163
395 H GLU 56 H GLU 56 -1.835 3.011 7.945
396 HA GLU 56 HA GLU 56 -2.186 0.930 9.811
397 1HB GLU 56 1HB GLU 56 -4.172 3.003 8.866
398 2HB GLU 56 2HB GLU 56 -4.352 2.003 10.301
399 1HG GLU 56 1HG GLU 56 -2.346 3.021 11.259
400 2HG GLU 56 2HG GLU 56 -2.179 4.031 9.824
401 H ASN 57 H ASN 57 -3.983 1.686 6.826
402 HA ASN 57 HA ASN 57 -5.759 -0.498 7.023
403 1HB ASN 57 1HB ASN 57 -4.886 1.121 4.629
404 2HB ASN 57 2HB ASN 57 -6.191 -0.060 4.598
405 1HD2 ASN 57 1HD2 ASN 57 -5.613 3.105 4.737
406 2HD2 ASN 57 2HD2 ASN 57 -6.993 3.646 5.622
407 H LEU 58 H LEU 58 -2.878 -0.072 4.961
408 HA LEU 58 HA LEU 58 -2.958 -2.635 3.852
409 1HB LEU 58 1HB LEU 58 -0.631 -2.251 3.188
410 2HB LEU 58 2HB LEU 58 -1.663 -0.885 2.827
411 HG LEU 58 HG LEU 58 -0.766 0.219 4.911
412 1HD1 LEU 58 1HD1 LEU 58 0.686 -2.330 5.002
413 2HD1 LEU 58 2HD1 LEU 58 1.669 -0.890 5.281
414 3HD1 LEU 58 3HD1 LEU 58 0.265 -1.213 6.300
415 1HD2 LEU 58 1HD2 LEU 58 0.123 0.261 2.374
416 2HD2 LEU 58 2HD2 LEU 58 0.815 1.241 3.668
417 3HD2 LEU 58 3HD2 LEU 58 1.584 -0.277 3.203
418 H ASP 59 H ASP 59 -1.232 -4.298 4.127
419 HA ASP 59 HA ASP 59 -0.373 -4.627 6.910
420 1HB ASP 59 1HB ASP 59 -2.534 -5.845 6.556
421 2HB ASP 59 2HB ASP 59 -1.738 -6.806 5.313
422 H CYS 60 H CYS 60 1.299 -3.773 5.051
423 HA CYS 60 HA CYS 60 2.947 -6.125 4.381
424 1HB CYS 60 1HB CYS 60 3.689 -4.886 2.364
425 2HB CYS 60 2HB CYS 60 1.972 -5.266 2.337
426 HG CYS 60 HG CYS 60 1.057 -2.831 2.301
427 HA PRO 61 HA PRO 61 5.069 -2.777 7.117
428 1HB PRO 61 1HB PRO 61 6.085 -4.743 8.816
429 2HB PRO 61 2HB PRO 61 4.686 -3.718 9.146
430 1HG PRO 61 1HG PRO 61 4.787 -6.511 8.094
431 2HG PRO 61 2HG PRO 61 3.645 -5.783 9.239
432 1HD PRO 61 1HD PRO 61 2.951 -6.207 6.699
433 2HD PRO 61 2HD PRO 61 2.431 -4.736 7.548
434 H ASP 62 H ASP 62 6.131 -6.072 6.269
435 HA ASP 62 HA ASP 62 8.876 -5.596 6.261
436 1HB ASP 62 1HB ASP 62 7.284 -7.505 4.534
437 2HB ASP 62 2HB ASP 62 9.030 -7.563 4.759
438 H LEU 63 H LEU 63 6.427 -4.939 3.856
439 HA LEU 63 HA LEU 63 8.165 -4.385 1.698
440 1HB LEU 63 1HB LEU 63 5.331 -3.526 2.267
441 2HB LEU 63 2HB LEU 63 6.163 -3.165 0.768
442 HG LEU 63 HG LEU 63 4.662 -5.089 0.530
443 1HD1 LEU 63 1HD1 LEU 63 7.531 -5.180 0.030
444 2HD1 LEU 63 2HD1 LEU 63 6.761 -6.767 0.063
445 3HD1 LEU 63 3HD1 LEU 63 6.175 -5.525 -1.045
446 1HD2 LEU 63 1HD2 LEU 63 5.455 -5.794 3.052
447 2HD2 LEU 63 2HD2 LEU 63 4.566 -6.827 1.934
448 3HD2 LEU 63 3HD2 LEU 63 6.322 -6.953 2.045
449 H ILE 64 H ILE 64 6.644 -2.306 4.158
450 HA ILE 64 HA ILE 64 7.571 0.150 3.161
451 HB ILE 64 HB ILE 64 6.837 -0.704 5.958
452 1HG1 ILE 64 1HG1 ILE 64 4.937 0.894 5.529
453 2HG1 ILE 64 2HG1 ILE 64 5.507 1.029 3.872
454 1HG2 ILE 64 1HG2 ILE 64 7.691 2.030 5.018
455 2HG2 ILE 64 2HG2 ILE 64 6.890 1.706 6.556
456 3HG2 ILE 64 3HG2 ILE 64 8.483 1.023 6.231
457 1HD1 ILE 64 1HD1 ILE 64 5.182 -1.424 3.637
458 2HD1 ILE 64 2HD1 ILE 64 4.433 -1.418 5.234
459 3HD1 ILE 64 3HD1 ILE 64 3.700 -0.506 3.915
460 H ALA 65 H ALA 65 8.980 -2.059 5.562
461 HA ALA 65 HA ALA 65 11.239 -0.532 6.192
462 1HB ALA 65 1HB ALA 65 11.820 -3.358 6.233
463 2HB ALA 65 2HB ALA 65 10.227 -3.027 6.913
464 3HB ALA 65 3HB ALA 65 11.653 -2.226 7.575
465 H GLU 66 H GLU 66 10.776 -3.057 3.740
466 HA GLU 66 HA GLU 66 13.387 -3.109 2.744
467 1HB GLU 66 1HB GLU 66 11.706 -4.811 2.198
468 2HB GLU 66 2HB GLU 66 10.791 -3.623 1.280
469 1HG GLU 66 1HG GLU 66 12.072 -5.074 -0.183
470 2HG GLU 66 2HG GLU 66 12.626 -3.404 -0.299
471 H PHE 67 H PHE 67 10.611 -1.095 1.874
472 HA PHE 67 HA PHE 67 11.638 0.188 -0.364
473 1HB PHE 67 1HB PHE 67 9.349 0.479 0.199
474 2HB PHE 67 2HB PHE 67 9.738 1.104 1.792
475 HD1 PHE 67 HD1 PHE 67 10.604 1.946 -1.750
476 HD2 PHE 67 HD2 PHE 67 9.340 3.316 2.074
477 HE1 PHE 67 HE1 PHE 67 10.484 4.246 -2.619
478 HE2 PHE 67 HE2 PHE 67 9.217 5.615 1.221
479 HZ PHE 67 HZ PHE 67 9.790 6.086 -1.133
480 H LEU 68 H LEU 68 11.874 1.156 3.050
481 HA LEU 68 HA LEU 68 13.410 3.475 2.578
482 1HB LEU 68 1HB LEU 68 13.296 1.813 5.091
483 2HB LEU 68 2HB LEU 68 13.760 3.501 4.968
484 HG LEU 68 HG LEU 68 11.008 2.378 4.436
485 1HD1 LEU 68 1HD1 LEU 68 12.293 3.674 6.773
486 2HD1 LEU 68 2HD1 LEU 68 10.611 4.069 6.417
487 3HD1 LEU 68 3HD1 LEU 68 11.082 2.394 6.705
488 1HD2 LEU 68 1HD2 LEU 68 12.241 5.016 3.910
489 2HD2 LEU 68 2HD2 LEU 68 10.935 4.182 3.069
490 3HD2 LEU 68 3HD2 LEU 68 10.615 5.011 4.593
491 H GLN 69 H GLN 69 14.291 0.126 3.253
492 HA GLN 69 HA GLN 69 16.992 0.430 3.804
493 1HB GLN 69 1HB GLN 69 15.573 -1.795 2.334
494 2HB GLN 69 2HB GLN 69 17.244 -1.887 2.872
495 1HG GLN 69 1HG GLN 69 14.846 -1.514 4.654
496 2HG GLN 69 2HG GLN 69 15.724 -3.022 4.405
497 1HE2 GLN 69 1HE2 GLN 69 15.332 -0.554 6.478
498 2HE2 GLN 69 2HE2 GLN 69 16.870 -0.565 7.264
499 H SER 70 H SER 70 15.345 0.274 0.683
500 HA SER 70 HA SER 70 17.543 0.097 -1.006
501 1HB SER 70 1HB SER 70 15.226 -0.096 -1.800
502 2HB SER 70 2HB SER 70 14.962 1.616 -1.468
503 HG SER 70 HG SER 70 17.100 1.496 -2.972
504 H GLN 71 H GLN 71 16.164 2.881 0.628
505 HA GLN 71 HA GLN 71 17.814 4.801 -0.719
506 1HB GLN 71 1HB GLN 71 16.148 5.045 1.788
507 2HB GLN 71 2HB GLN 71 16.902 6.388 0.939
508 1HG GLN 71 1HG GLN 71 15.546 5.939 -1.022
509 2HG GLN 71 2HG GLN 71 14.817 4.551 -0.215
510 1HE2 GLN 71 1HE2 GLN 71 12.897 4.922 0.588
511 2HE2 GLN 71 2HE2 GLN 71 12.308 6.434 1.175
512 H LYS 72 H LYS 72 19.626 3.049 0.038
513 HA LYS 72 HA LYS 72 21.333 4.510 1.784
514 1HB LYS 72 1HB LYS 72 19.967 3.460 3.499
515 2HB LYS 72 2HB LYS 72 20.229 1.879 2.778
516 1HG LYS 72 1HG LYS 72 22.609 2.028 3.300
517 2HG LYS 72 2HG LYS 72 22.354 3.621 4.013
518 1HD LYS 72 1HD LYS 72 22.449 2.016 5.788
519 2HD LYS 72 2HD LYS 72 20.782 2.567 5.638
520 1HE LYS 72 1HE LYS 72 21.842 0.027 4.406
521 2HE LYS 72 2HE LYS 72 21.044 0.103 5.974
522 1HZ LYS 72 1HZ LYS 72 19.251 1.340 4.457
523 2HZ LYS 72 2HZ LYS 72 19.912 0.291 3.307
524 3HZ LYS 72 3HZ LYS 72 19.238 -0.329 4.729
525 H THR 73 H THR 73 23.400 4.106 1.273
526 HA THR 73 HA THR 73 25.191 3.282 0.126
527 HB THR 73 HB THR 73 24.019 0.545 0.658
528 HG1 THR 73 HG1 THR 73 25.319 0.768 2.653
529 1HG2 THR 73 1HG2 THR 73 26.350 1.322 -0.615
530 2HG2 THR 73 2HG2 THR 73 26.879 0.956 1.027
531 3HG2 THR 73 3HG2 THR 73 26.029 -0.266 0.082
532 H ALA 74 H ALA 74 22.697 3.847 -1.292
533 HA ALA 74 HA ALA 74 23.390 3.119 -3.885
534 1HB ALA 74 1HB ALA 74 21.167 1.412 -2.759
535 2HB ALA 74 2HB ALA 74 22.762 0.844 -3.255
536 3HB ALA 74 3HB ALA 74 21.643 1.492 -4.455
537 H HIS 75 H HIS 75 20.712 3.751 -1.682
538 HA HIS 75 HA HIS 75 18.966 5.195 -1.738
539 1HB HIS 75 1HB HIS 75 20.984 6.749 -2.130
540 2HB HIS 75 2HB HIS 75 20.476 6.777 -3.814
541 HD1 HIS 75 HD1 HIS 75 17.613 7.316 -3.836
542 HD2 HIS 75 HD2 HIS 75 20.059 8.950 -0.902
543 HE1 HIS 75 HE1 HIS 75 16.365 9.312 -2.958
544 HE2 HIS 75 HE2 HIS 75 17.917 10.352 -1.267
545 H GLU 76 H GLU 76 18.983 6.669 -4.688
546 HA GLU 76 HA GLU 76 16.791 5.072 -5.633
547 1HB GLU 76 1HB GLU 76 16.491 6.738 -7.311
548 2HB GLU 76 2HB GLU 76 16.894 7.571 -5.820
549 1HG GLU 76 1HG GLU 76 18.781 7.026 -8.104
550 2HG GLU 76 2HG GLU 76 18.005 8.566 -7.745
551 H THR 77 H THR 77 19.291 3.684 -5.517
552 HA THR 77 HA THR 77 20.614 2.270 -6.691
553 HB THR 77 HB THR 77 19.650 1.159 -8.633
554 HG1 THR 77 HG1 THR 77 17.281 2.204 -8.898
555 1HG2 THR 77 1HG2 THR 77 18.628 1.148 -6.094
556 2HG2 THR 77 2HG2 THR 77 17.191 1.444 -7.073
557 3HG2 THR 77 3HG2 THR 77 18.185 0.017 -7.372
558 H ASP 78 H ASP 78 22.487 2.986 -7.423
559 HA ASP 78 HA ASP 78 22.712 5.143 -9.288
560 1HB ASP 78 1HB ASP 78 25.138 4.729 -9.136
561 2HB ASP 78 2HB ASP 78 24.393 4.830 -7.544
562 H LYS 79 H LYS 79 23.219 1.646 -9.429
563 HA LYS 79 HA LYS 79 22.528 1.489 -12.172
564 1HB LYS 79 1HB LYS 79 24.759 2.446 -12.488
565 2HB LYS 79 2HB LYS 79 25.461 1.170 -11.503
566 1HG LYS 79 1HG LYS 79 24.747 -0.490 -13.160
567 2HG LYS 79 2HG LYS 79 24.077 0.805 -14.152
568 1HD LYS 79 1HD LYS 79 26.216 0.260 -15.047
569 2HD LYS 79 2HD LYS 79 26.371 1.813 -14.228
570 1HE LYS 79 1HE LYS 79 27.127 -0.846 -13.020
571 2HE LYS 79 2HE LYS 79 28.261 0.252 -13.803
572 1HZ LYS 79 1HZ LYS 79 27.318 1.939 -12.096
573 2HZ LYS 79 2HZ LYS 79 26.854 0.554 -11.240
574 3HZ LYS 79 3HZ LYS 79 28.484 0.817 -11.606
575 H SER 80 H SER 80 21.886 -0.538 -12.638
576 HA SER 80 HA SER 80 23.029 -2.858 -11.406
577 1HB SER 80 1HB SER 80 20.218 -2.044 -10.623
578 2HB SER 80 2HB SER 80 20.949 -3.610 -10.277
579 HG SER 80 HG SER 80 21.094 -2.109 -8.523
580 H1 ALA 1 H1 ALA 1 2.940 -17.850 10.931
581 H2 ALA 1 H2 ALA 1 1.378 -18.058 11.548
582 H3 ALA 1 H3 ALA 1 2.347 -19.407 11.223
583 HA ALA 1 HA ALA 1 2.168 -19.180 8.940
584 1HB ALA 1 1HB ALA 1 0.101 -19.980 8.973
585 2HB ALA 1 2HB ALA 1 -0.537 -18.340 9.088
586 3HB ALA 1 3HB ALA 1 -0.166 -19.246 10.554
587 H ARG 2 H ARG 2 -0.079 -17.531 7.826
588 HA ARG 2 HA ARG 2 -0.275 -15.635 6.587
589 1HB ARG 2 1HB ARG 2 0.987 -14.402 9.042
590 2HB ARG 2 2HB ARG 2 0.165 -13.510 7.770
591 1HG ARG 2 1HG ARG 2 -1.125 -15.590 9.525
592 2HG ARG 2 2HG ARG 2 -1.220 -13.848 9.779
593 1HD ARG 2 1HD ARG 2 -3.222 -14.507 8.678
594 2HD ARG 2 2HD ARG 2 -2.229 -13.664 7.490
595 HE ARG 2 HE ARG 2 -2.280 -15.562 6.244
596 1HH1 ARG 2 1HH1 ARG 2 -2.748 -16.457 9.583
597 2HH1 ARG 2 2HH1 ARG 2 -2.932 -18.144 9.236
598 1HH2 ARG 2 1HH2 ARG 2 -2.520 -17.781 5.784
599 2HH2 ARG 2 2HH2 ARG 2 -2.801 -18.896 7.080
600 H THR 3 H THR 3 1.902 -17.128 5.872
601 HA THR 3 HA THR 3 4.276 -15.510 5.742
602 HB THR 3 HB THR 3 3.682 -18.006 4.142
603 HG1 THR 3 HG1 THR 3 3.514 -18.746 6.175
604 1HG2 THR 3 1HG2 THR 3 6.172 -16.491 4.863
605 2HG2 THR 3 2HG2 THR 3 6.236 -18.211 4.479
606 3HG2 THR 3 3HG2 THR 3 5.640 -17.061 3.282
607 H GLN 5 H GLN 5 3.141 -11.128 2.178
608 HA GLN 5 HA GLN 5 1.402 -9.745 3.981
609 1HB GLN 5 1HB GLN 5 3.381 -8.824 1.909
610 2HB GLN 5 2HB GLN 5 2.382 -7.694 2.809
611 1HG GLN 5 1HG GLN 5 4.515 -7.818 3.857
612 2HG GLN 5 2HG GLN 5 3.336 -8.598 4.909
613 1HE2 GLN 5 1HE2 GLN 5 6.337 -8.853 3.539
614 2HE2 GLN 5 2HE2 GLN 5 6.597 -10.549 3.747
615 H THR 6 H THR 6 -0.366 -8.518 3.576
616 HA THR 6 HA THR 6 -1.312 -8.138 0.849
617 HB THR 6 HB THR 6 -3.574 -9.018 1.381
618 HG1 THR 6 HG1 THR 6 -2.266 -9.711 3.787
619 1HG2 THR 6 1HG2 THR 6 -1.585 -10.388 0.351
620 2HG2 THR 6 2HG2 THR 6 -1.707 -11.297 1.858
621 3HG2 THR 6 3HG2 THR 6 -3.097 -11.188 0.779
622 H ALA 7 H ALA 7 -1.618 -5.991 0.854
623 HA ALA 7 HA ALA 7 -2.221 -4.504 3.196
624 1HB ALA 7 1HB ALA 7 -0.961 -3.497 1.387
625 2HB ALA 7 2HB ALA 7 -2.444 -2.583 1.679
626 3HB ALA 7 3HB ALA 7 -2.338 -3.677 0.298
627 H ARG 8 H ARG 8 -4.131 -2.656 2.025
628 HA ARG 8 HA ARG 8 -6.562 -4.150 1.569
629 1HB ARG 8 1HB ARG 8 -6.154 -2.574 4.115
630 2HB ARG 8 2HB ARG 8 -7.733 -3.067 3.519
631 1HG ARG 8 1HG ARG 8 -6.991 -5.429 3.657
632 2HG ARG 8 2HG ARG 8 -5.481 -4.867 4.385
633 1HD ARG 8 1HD ARG 8 -6.738 -3.862 6.223
634 2HD ARG 8 2HD ARG 8 -8.249 -4.401 5.493
635 HE ARG 8 HE ARG 8 -7.904 -6.414 6.487
636 1HH1 ARG 8 1HH1 ARG 8 -4.803 -4.876 6.072
637 2HH1 ARG 8 2HH1 ARG 8 -3.926 -6.153 6.846
638 1HH2 ARG 8 1HH2 ARG 8 -6.753 -8.096 7.506
639 2HH2 ARG 8 2HH2 ARG 8 -5.032 -7.981 7.659
640 H SER 10 H SER 10 -7.796 1.567 -0.353
641 HA SER 10 HA SER 10 -8.055 2.425 2.292
642 1HB SER 10 1HB SER 10 -8.630 3.970 -0.250
643 2HB SER 10 2HB SER 10 -8.389 4.684 1.345
644 HG SER 10 HG SER 10 -6.550 4.136 -0.423
645 H THR 11 H THR 11 -9.747 2.523 3.599
646 HA THR 11 HA THR 11 -11.890 2.334 4.359
647 HB THR 11 HB THR 11 -13.472 3.987 3.485
648 HG1 THR 11 HG1 THR 11 -12.704 3.708 1.228
649 1HG2 THR 11 1HG2 THR 11 -11.404 4.553 4.949
650 2HG2 THR 11 2HG2 THR 11 -10.803 5.348 3.494
651 3HG2 THR 11 3HG2 THR 11 -12.324 5.869 4.220
652 H GLY 12 H GLY 12 -11.428 0.126 2.990
653 1HA GLY 12 1HA GLY 12 -12.539 -1.642 2.025
654 2HA GLY 12 2HA GLY 12 -12.824 -0.513 0.709
655 H GLY 13 H GLY 13 -14.873 -1.060 0.156
656 1HA GLY 13 1HA GLY 13 -16.922 -1.434 2.163
657 2HA GLY 13 2HA GLY 13 -17.139 -1.509 0.420
658 H LYS 14 H LYS 14 -15.850 1.076 2.470
659 HA LYS 14 HA LYS 14 -16.305 3.295 2.579
660 1HB LYS 14 1HB LYS 14 -16.467 3.242 0.121
661 2HB LYS 14 2HB LYS 14 -18.168 2.816 0.249
662 1HG LYS 14 1HG LYS 14 -18.633 4.944 1.339
663 2HG LYS 14 2HG LYS 14 -16.924 5.371 1.245
664 1HD LYS 14 1HD LYS 14 -17.046 5.245 -1.209
665 2HD LYS 14 2HD LYS 14 -18.767 4.868 -1.091
666 1HE LYS 14 1HE LYS 14 -18.416 7.231 -1.588
667 2HE LYS 14 2HE LYS 14 -19.171 7.018 -0.010
668 1HZ LYS 14 1HZ LYS 14 -16.266 7.154 -0.037
669 2HZ LYS 14 2HZ LYS 14 -17.077 8.588 -0.419
670 3HZ LYS 14 3HZ LYS 14 -17.372 7.817 1.058
671 H ALA 15 H ALA 15 -19.160 1.240 2.133
672 HA ALA 15 HA ALA 15 -21.098 1.061 3.303
673 1HB ALA 15 1HB ALA 15 -19.303 2.380 5.255
674 2HB ALA 15 2HB ALA 15 -21.033 2.430 5.593
675 3HB ALA 15 3HB ALA 15 -20.219 0.879 5.387
676 HA PRO 16 HA PRO 16 -23.468 4.450 1.728
677 1HB PRO 16 1HB PRO 16 -25.448 3.609 3.787
678 2HB PRO 16 2HB PRO 16 -25.661 3.843 2.048
679 1HG PRO 16 1HG PRO 16 -25.532 1.393 3.076
680 2HG PRO 16 2HG PRO 16 -24.756 1.771 1.525
681 1HD PRO 16 1HD PRO 16 -23.526 1.413 4.225
682 2HD PRO 16 2HD PRO 16 -22.914 0.924 2.631
683 H GLY 17 H GLY 17 -23.422 6.552 2.209
684 1HA GLY 17 1HA GLY 17 -22.485 7.517 4.689
685 2HA GLY 17 2HA GLY 17 -24.230 7.715 4.620
686 H GLY 18 H GLY 18 -21.794 8.016 2.052
687 1HA GLY 18 1HA GLY 18 -22.975 10.404 1.041
688 2HA GLY 18 2HA GLY 18 -21.446 9.706 0.530
No H/Q in entry = 688
Start of MODEL 10
1 H1 HIS 8 H1 HIS 8 -34.721 -5.032 1.869
2 H2 HIS 8 H2 HIS 8 -33.797 -3.800 1.168
3 H3 HIS 8 H3 HIS 8 -33.449 -5.418 0.823
4 HA HIS 8 HA HIS 8 -31.819 -4.726 2.345
5 1HB HIS 8 1HB HIS 8 -33.141 -2.711 3.043
6 2HB HIS 8 2HB HIS 8 -34.098 -3.755 4.087
7 HD1 HIS 8 HD1 HIS 8 -32.952 -1.775 5.745
8 HD2 HIS 8 HD2 HIS 8 -30.592 -4.956 4.491
9 HE1 HIS 8 HE1 HIS 8 -31.025 -1.860 7.358
10 HE2 HIS 8 HE2 HIS 8 -29.576 -3.751 6.540
11 H MET 9 H MET 9 -34.968 -5.968 3.414
12 HA MET 9 HA MET 9 -34.059 -7.659 5.440
13 1HB MET 9 1HB MET 9 -36.470 -7.882 3.636
14 2HB MET 9 2HB MET 9 -36.189 -8.941 5.011
15 1HG MET 9 1HG MET 9 -37.716 -7.229 5.663
16 2HG MET 9 2HG MET 9 -36.182 -6.956 6.485
17 1HE MET 9 1HE MET 9 -37.353 -6.389 2.913
18 2HE MET 9 2HE MET 9 -38.647 -5.419 3.614
19 3HE MET 9 3HE MET 9 -37.358 -4.638 2.699
20 H VAL 10 H VAL 10 -34.523 -8.281 1.982
21 HA VAL 10 HA VAL 10 -33.854 -11.020 2.062
22 HB VAL 10 HB VAL 10 -35.034 -10.059 0.160
23 1HG1 VAL 10 1HG1 VAL 10 -32.740 -8.254 0.131
24 2HG1 VAL 10 2HG1 VAL 10 -33.169 -8.881 -1.461
25 3HG1 VAL 10 3HG1 VAL 10 -34.373 -8.028 -0.496
26 1HG2 VAL 10 1HG2 VAL 10 -32.432 -11.452 -0.273
27 2HG2 VAL 10 2HG2 VAL 10 -34.078 -12.046 -0.491
28 3HG2 VAL 10 3HG2 VAL 10 -33.378 -10.937 -1.669
29 H GLU 11 H GLU 11 -31.908 -8.114 1.540
30 HA GLU 11 HA GLU 11 -29.667 -7.744 1.534
31 1HB GLU 11 1HB GLU 11 -29.927 -8.768 3.800
32 2HB GLU 11 2HB GLU 11 -29.522 -10.328 3.097
33 1HG GLU 11 1HG GLU 11 -27.324 -9.490 2.472
34 2HG GLU 11 2HG GLU 11 -27.730 -7.908 3.138
35 H GLU 12 H GLU 12 -30.400 -8.640 -0.821
36 HA GLU 12 HA GLU 12 -29.311 -11.057 -1.739
37 1HB GLU 12 1HB GLU 12 -29.767 -8.492 -3.274
38 2HB GLU 12 2HB GLU 12 -29.509 -10.079 -3.988
39 1HG GLU 12 1HG GLU 12 -31.567 -10.883 -2.961
40 2HG GLU 12 2HG GLU 12 -31.824 -9.301 -2.229
41 H VAL 13 H VAL 13 -27.325 -11.673 -2.328
42 HA VAL 13 HA VAL 13 -25.084 -11.669 -2.697
43 HB VAL 13 HB VAL 13 -25.449 -8.756 -3.412
44 1HG1 VAL 13 1HG1 VAL 13 -23.182 -10.677 -3.665
45 2HG1 VAL 13 2HG1 VAL 13 -23.403 -9.436 -4.899
46 3HG1 VAL 13 3HG1 VAL 13 -23.169 -8.973 -3.215
47 1HG2 VAL 13 1HG2 VAL 13 -26.787 -10.631 -4.655
48 2HG2 VAL 13 2HG2 VAL 13 -25.976 -9.359 -5.568
49 3HG2 VAL 13 3HG2 VAL 13 -25.232 -10.950 -5.423
50 H LEU 14 H LEU 14 -23.299 -11.514 -1.448
51 HA LEU 14 HA LEU 14 -23.508 -10.427 1.145
52 1HB LEU 14 1HB LEU 14 -21.096 -11.380 -0.400
53 2HB LEU 14 2HB LEU 14 -21.053 -10.933 1.293
54 HG LEU 14 HG LEU 14 -22.748 -12.747 1.725
55 1HD1 LEU 14 1HD1 LEU 14 -23.603 -12.949 -0.560
56 2HD1 LEU 14 2HD1 LEU 14 -22.038 -13.568 -1.087
57 3HD1 LEU 14 3HD1 LEU 14 -23.011 -14.491 0.058
58 1HD2 LEU 14 1HD2 LEU 14 -19.996 -12.848 1.494
59 2HD2 LEU 14 2HD2 LEU 14 -21.025 -14.037 2.293
60 3HD2 LEU 14 3HD2 LEU 14 -20.548 -14.272 0.611
61 H GLU 15 H GLU 15 -22.869 -8.524 2.009
62 HA GLU 15 HA GLU 15 -22.505 -6.287 0.344
63 1HB GLU 15 1HB GLU 15 -21.916 -6.573 3.295
64 2HB GLU 15 2HB GLU 15 -22.058 -5.051 2.426
65 1HG GLU 15 1HG GLU 15 -24.391 -5.559 1.913
66 2HG GLU 15 2HG GLU 15 -24.247 -7.084 2.785
67 H GLU 16 H GLU 16 -20.745 -5.200 -0.346
68 HA GLU 16 HA GLU 16 -18.275 -6.523 -0.547
69 1HB GLU 16 1HB GLU 16 -18.902 -3.592 -0.949
70 2HB GLU 16 2HB GLU 16 -17.440 -4.404 -1.493
71 1HG GLU 16 1HG GLU 16 -20.240 -5.006 -2.416
72 2HG GLU 16 2HG GLU 16 -19.021 -4.101 -3.312
73 H GLU 17 H GLU 17 -16.396 -6.395 0.576
74 HA GLU 17 HA GLU 17 -16.372 -4.652 2.953
75 1HB GLU 17 1HB GLU 17 -15.180 -7.421 2.683
76 2HB GLU 17 2HB GLU 17 -15.085 -6.398 4.111
77 1HG GLU 17 1HG GLU 17 -17.504 -6.503 4.362
78 2HG GLU 17 2HG GLU 17 -17.617 -7.502 2.915
79 H GLU 18 H GLU 18 -13.675 -5.451 3.655
80 HA GLU 18 HA GLU 18 -12.246 -3.654 1.922
81 1HB GLU 18 1HB GLU 18 -11.325 -5.228 4.300
82 2HB GLU 18 2HB GLU 18 -10.367 -4.014 3.476
83 1HG GLU 18 1HG GLU 18 -12.012 -2.312 4.077
84 2HG GLU 18 2HG GLU 18 -12.976 -3.536 4.903
85 H GLU 19 H GLU 19 -12.013 -7.058 2.817
86 HA GLU 19 HA GLU 19 -11.031 -8.861 1.873
87 1HB GLU 19 1HB GLU 19 -12.589 -7.825 0.052
88 2HB GLU 19 2HB GLU 19 -11.069 -7.508 -0.778
89 1HG GLU 19 1HG GLU 19 -12.027 -10.202 0.166
90 2HG GLU 19 2HG GLU 19 -12.084 -9.610 -1.488
91 H GLU 20 H GLU 20 -8.983 -9.515 1.960
92 HA GLU 20 HA GLU 20 -6.866 -7.592 1.674
93 1HB GLU 20 1HB GLU 20 -5.403 -9.574 2.284
94 2HB GLU 20 2HB GLU 20 -6.583 -9.065 3.479
95 1HG GLU 20 1HG GLU 20 -6.648 -11.405 3.465
96 2HG GLU 20 2HG GLU 20 -8.084 -10.884 2.589
97 H TYR 21 H TYR 21 -5.360 -7.406 0.130
98 HA TYR 21 HA TYR 21 -5.512 -9.256 -2.159
99 1HB TYR 21 1HB TYR 21 -5.156 -6.255 -2.180
100 2HB TYR 21 2HB TYR 21 -4.826 -7.272 -3.576
101 HD1 TYR 21 HD1 TYR 21 -6.489 -7.467 -5.150
102 HD2 TYR 21 HD2 TYR 21 -7.591 -6.672 -1.119
103 HE1 TYR 21 HE1 TYR 21 -8.844 -7.298 -5.835
104 HE2 TYR 21 HE2 TYR 21 -9.951 -6.506 -1.792
105 HH TYR 21 HH TYR 21 -11.303 -6.139 -3.696
106 H VAL 22 H VAL 22 -3.631 -10.102 -2.850
107 HA VAL 22 HA VAL 22 -1.305 -9.887 -1.273
108 HB VAL 22 HB VAL 22 -1.561 -10.965 -4.086
109 1HG1 VAL 22 1HG1 VAL 22 0.736 -10.478 -2.611
110 2HG1 VAL 22 2HG1 VAL 22 0.429 -12.200 -2.387
111 3HG1 VAL 22 3HG1 VAL 22 0.588 -11.537 -4.013
112 1HG2 VAL 22 1HG2 VAL 22 -2.633 -11.916 -1.635
113 2HG2 VAL 22 2HG2 VAL 22 -2.681 -12.676 -3.225
114 3HG2 VAL 22 3HG2 VAL 22 -1.340 -13.008 -2.129
115 H VAL 23 H VAL 23 0.473 -8.632 -1.424
116 HA VAL 23 HA VAL 23 0.666 -6.806 -3.731
117 HB VAL 23 HB VAL 23 1.417 -6.135 -0.881
118 1HG1 VAL 23 1HG1 VAL 23 1.891 -4.855 -3.464
119 2HG1 VAL 23 2HG1 VAL 23 1.158 -3.783 -2.266
120 3HG1 VAL 23 3HG1 VAL 23 2.681 -4.598 -1.907
121 1HG2 VAL 23 1HG2 VAL 23 -1.137 -6.243 -1.999
122 2HG2 VAL 23 2HG2 VAL 23 -0.663 -5.441 -0.501
123 3HG2 VAL 23 3HG2 VAL 23 -0.697 -4.536 -2.015
124 H GLU 24 H GLU 24 2.572 -6.766 -4.753
125 HA GLU 24 HA GLU 24 4.613 -8.615 -4.049
126 1HB GLU 24 1HB GLU 24 4.134 -8.027 -6.381
127 2HB GLU 24 2HB GLU 24 4.639 -6.370 -6.077
128 1HG GLU 24 1HG GLU 24 6.904 -7.148 -5.599
129 2HG GLU 24 2HG GLU 24 6.398 -8.809 -5.905
130 H LYS 25 H LYS 25 4.490 -5.057 -4.065
131 HA LYS 25 HA LYS 25 5.961 -4.722 -1.707
132 1HB LYS 25 1HB LYS 25 7.826 -5.638 -3.025
133 2HB LYS 25 2HB LYS 25 7.595 -4.373 -4.226
134 1HG LYS 25 1HG LYS 25 8.172 -2.681 -2.568
135 2HG LYS 25 2HG LYS 25 8.387 -3.941 -1.351
136 1HD LYS 25 1HD LYS 25 10.539 -3.258 -2.251
137 2HD LYS 25 2HD LYS 25 10.184 -4.925 -2.708
138 1HE LYS 25 1HE LYS 25 11.123 -3.669 -4.581
139 2HE LYS 25 2HE LYS 25 9.469 -4.181 -4.915
140 1HZ LYS 25 1HZ LYS 25 9.994 -1.508 -3.795
141 2HZ LYS 25 2HZ LYS 25 10.174 -1.780 -5.456
142 3HZ LYS 25 3HZ LYS 25 8.677 -2.040 -4.712
143 H VAL 26 H VAL 26 5.969 -2.577 -1.060
144 HA VAL 26 HA VAL 26 4.233 -0.820 -2.428
145 HB VAL 26 HB VAL 26 4.785 0.851 -0.790
146 1HG1 VAL 26 1HG1 VAL 26 3.656 -1.526 -0.238
147 2HG1 VAL 26 2HG1 VAL 26 4.946 -1.490 0.967
148 3HG1 VAL 26 3HG1 VAL 26 3.759 -0.184 0.901
149 1HG2 VAL 26 1HG2 VAL 26 7.308 -0.522 -0.688
150 2HG2 VAL 26 2HG2 VAL 26 6.872 1.083 -0.098
151 3HG2 VAL 26 3HG2 VAL 26 6.629 -0.331 0.928
152 H LEU 27 H LEU 27 4.581 0.738 -3.887
153 HA LEU 27 HA LEU 27 7.152 0.866 -5.138
154 1HB LEU 27 1HB LEU 27 4.634 2.424 -5.699
155 2HB LEU 27 2HB LEU 27 6.070 2.433 -6.702
156 HG LEU 27 HG LEU 27 4.303 0.039 -6.177
157 1HD1 LEU 27 1HD1 LEU 27 4.309 2.142 -8.208
158 2HD1 LEU 27 2HD1 LEU 27 4.302 0.504 -8.864
159 3HD1 LEU 27 3HD1 LEU 27 3.037 1.010 -7.744
160 1HD2 LEU 27 1HD2 LEU 27 6.829 -0.317 -6.544
161 2HD2 LEU 27 2HD2 LEU 27 5.697 -1.231 -7.541
162 3HD2 LEU 27 3HD2 LEU 27 6.507 0.190 -8.202
163 H ASP 28 H ASP 28 5.301 2.918 -2.941
164 HA ASP 28 HA ASP 28 7.655 4.357 -2.227
165 1HB ASP 28 1HB ASP 28 6.988 5.322 -4.522
166 2HB ASP 28 2HB ASP 28 5.646 6.075 -3.669
167 H ARG 29 H ARG 29 6.273 6.834 -1.536
168 HA ARG 29 HA ARG 29 4.000 6.287 0.078
169 1HB ARG 29 1HB ARG 29 4.996 6.506 2.271
170 2HB ARG 29 2HB ARG 29 5.760 5.163 1.430
171 1HG ARG 29 1HG ARG 29 7.675 6.574 0.899
172 2HG ARG 29 2HG ARG 29 6.902 7.934 1.714
173 1HD ARG 29 1HD ARG 29 6.935 6.692 3.818
174 2HD ARG 29 2HD ARG 29 7.703 5.329 3.005
175 HE ARG 29 HE ARG 29 9.266 7.610 2.578
176 1HH1 ARG 29 1HH1 ARG 29 8.315 5.492 5.177
177 2HH1 ARG 29 2HH1 ARG 29 9.752 5.770 6.100
178 1HH2 ARG 29 1HH2 ARG 29 11.159 7.982 3.786
179 2HH2 ARG 29 2HH2 ARG 29 11.370 7.187 5.309
180 H ARG 30 H ARG 30 3.047 8.183 0.786
181 HA ARG 30 HA ARG 30 4.524 10.657 0.818
182 1HB ARG 30 1HB ARG 30 3.210 11.791 -0.874
183 2HB ARG 30 2HB ARG 30 4.008 10.391 -1.575
184 1HG ARG 30 1HG ARG 30 1.916 9.129 -1.416
185 2HG ARG 30 2HG ARG 30 1.119 10.555 -0.746
186 1HD ARG 30 1HD ARG 30 1.766 11.786 -2.816
187 2HD ARG 30 2HD ARG 30 2.344 10.261 -3.484
188 HE ARG 30 HE ARG 30 0.183 9.762 -3.995
189 1HH1 ARG 30 1HH1 ARG 30 0.184 12.071 -1.384
190 2HH1 ARG 30 2HH1 ARG 30 -1.543 12.197 -1.325
191 1HH2 ARG 30 1HH2 ARG 30 -2.093 9.926 -3.924
192 2HH2 ARG 30 2HH2 ARG 30 -2.835 10.977 -2.765
193 H VAL 31 H VAL 31 3.509 12.283 1.950
194 HA VAL 31 HA VAL 31 1.210 11.434 3.535
195 HB VAL 31 HB VAL 31 2.962 13.876 3.858
196 1HG1 VAL 31 1HG1 VAL 31 0.796 12.679 5.571
197 2HG1 VAL 31 2HG1 VAL 31 1.975 13.844 6.178
198 3HG1 VAL 31 3HG1 VAL 31 0.866 14.302 4.884
199 1HG2 VAL 31 1HG2 VAL 31 3.970 11.507 4.149
200 2HG2 VAL 31 2HG2 VAL 31 4.243 12.715 5.405
201 3HG2 VAL 31 3HG2 VAL 31 3.018 11.467 5.633
202 H VAL 32 H VAL 32 -0.741 12.540 3.629
203 HA VAL 32 HA VAL 32 -1.206 14.380 1.389
204 HB VAL 32 HB VAL 32 -3.616 13.907 1.746
205 1HG1 VAL 32 1HG1 VAL 32 -1.617 11.830 1.047
206 2HG1 VAL 32 2HG1 VAL 32 -3.300 11.326 1.205
207 3HG1 VAL 32 3HG1 VAL 32 -2.860 12.587 0.053
208 1HG2 VAL 32 1HG2 VAL 32 -2.667 12.810 4.187
209 2HG2 VAL 32 2HG2 VAL 32 -4.331 12.972 3.628
210 3HG2 VAL 32 3HG2 VAL 32 -3.415 11.511 3.257
211 H LYS 33 H LYS 33 -1.723 14.053 4.866
212 HA LYS 33 HA LYS 33 -1.523 16.847 5.311
213 1HB LYS 33 1HB LYS 33 -3.825 17.220 6.152
214 2HB LYS 33 2HB LYS 33 -3.775 16.912 4.422
215 1HG LYS 33 1HG LYS 33 -4.456 14.594 4.819
216 2HG LYS 33 2HG LYS 33 -4.520 14.917 6.552
217 1HD LYS 33 1HD LYS 33 -6.165 16.385 4.492
218 2HD LYS 33 2HD LYS 33 -6.738 14.986 5.400
219 1HE LYS 33 1HE LYS 33 -7.552 16.942 6.494
220 2HE LYS 33 2HE LYS 33 -6.276 16.259 7.500
221 1HZ LYS 33 1HZ LYS 33 -5.546 18.322 5.553
222 2HZ LYS 33 2HZ LYS 33 -6.363 18.806 6.954
223 3HZ LYS 33 3HZ LYS 33 -4.884 17.992 7.074
224 H GLY 34 H GLY 34 -0.051 14.959 6.391
225 1HA GLY 34 1HA GLY 34 -0.955 14.900 9.184
226 2HA GLY 34 2HA GLY 34 0.712 14.754 8.640
227 H LYS 35 H LYS 35 -1.801 12.982 7.031
228 HA LYS 35 HA LYS 35 -1.561 10.597 8.596
229 1HB LYS 35 1HB LYS 35 -2.842 11.234 5.952
230 2HB LYS 35 2HB LYS 35 -2.801 9.602 6.595
231 1HG LYS 35 1HG LYS 35 -4.037 10.333 8.562
232 2HG LYS 35 2HG LYS 35 -4.062 11.984 7.935
233 1HD LYS 35 1HD LYS 35 -5.404 11.328 6.069
234 2HD LYS 35 2HD LYS 35 -5.214 9.619 6.462
235 1HE LYS 35 1HE LYS 35 -6.479 9.911 8.500
236 2HE LYS 35 2HE LYS 35 -6.593 11.648 8.215
237 1HZ LYS 35 1HZ LYS 35 -7.820 11.118 6.146
238 2HZ LYS 35 2HZ LYS 35 -7.822 9.487 6.592
239 3HZ LYS 35 3HZ LYS 35 -8.627 10.627 7.548
240 H VAL 36 H VAL 36 -1.531 8.767 6.404
241 HA VAL 36 HA VAL 36 1.129 9.004 5.238
242 HB VAL 36 HB VAL 36 0.338 6.564 6.840
243 1HG1 VAL 36 1HG1 VAL 36 1.811 6.173 4.892
244 2HG1 VAL 36 2HG1 VAL 36 2.978 7.298 5.586
245 3HG1 VAL 36 3HG1 VAL 36 2.584 5.801 6.433
246 1HG2 VAL 36 1HG2 VAL 36 0.902 8.745 8.120
247 2HG2 VAL 36 2HG2 VAL 36 1.699 7.245 8.591
248 3HG2 VAL 36 3HG2 VAL 36 2.557 8.426 7.600
249 H GLU 37 H GLU 37 1.386 7.790 3.349
250 HA GLU 37 HA GLU 37 -0.754 6.011 2.474
251 1HB GLU 37 1HB GLU 37 -1.356 8.438 1.938
252 2HB GLU 37 2HB GLU 37 -0.024 8.397 0.793
253 1HG GLU 37 1HG GLU 37 -1.080 6.654 -0.458
254 2HG GLU 37 2HG GLU 37 -2.359 6.509 0.747
255 H TYR 38 H TYR 38 0.132 4.347 1.397
256 HA TYR 38 HA TYR 38 2.784 4.750 0.165
257 1HB TYR 38 1HB TYR 38 1.707 2.453 1.758
258 2HB TYR 38 2HB TYR 38 2.980 2.189 0.574
259 HD1 TYR 38 HD1 TYR 38 5.127 2.185 1.372
260 HD2 TYR 38 HD2 TYR 38 2.223 4.572 3.363
261 HE1 TYR 38 HE1 TYR 38 6.815 2.838 3.037
262 HE2 TYR 38 HE2 TYR 38 3.902 5.232 5.027
263 HH TYR 38 HH TYR 38 6.279 5.364 5.303
264 H LEU 39 H LEU 39 3.219 3.842 -1.783
265 HA LEU 39 HA LEU 39 0.910 3.103 -3.388
266 1HB LEU 39 1HB LEU 39 2.541 4.733 -4.265
267 2HB LEU 39 2HB LEU 39 3.803 3.521 -4.161
268 HG LEU 39 HG LEU 39 2.854 2.239 -5.919
269 1HD1 LEU 39 1HD1 LEU 39 0.528 2.441 -5.201
270 2HD1 LEU 39 2HD1 LEU 39 0.489 4.089 -5.827
271 3HD1 LEU 39 3HD1 LEU 39 0.717 2.733 -6.932
272 1HD2 LEU 39 1HD2 LEU 39 4.071 4.344 -6.534
273 2HD2 LEU 39 2HD2 LEU 39 2.958 3.738 -7.761
274 3HD2 LEU 39 3HD2 LEU 39 2.495 5.107 -6.749
275 H LEU 40 H LEU 40 0.706 1.080 -4.451
276 HA LEU 40 HA LEU 40 2.709 -0.950 -3.784
277 1HB LEU 40 1HB LEU 40 -0.244 -1.267 -3.246
278 2HB LEU 40 2HB LEU 40 0.934 -2.559 -3.149
279 HG LEU 40 HG LEU 40 2.105 -1.055 -1.394
280 1HD1 LEU 40 1HD1 LEU 40 -0.379 0.385 -1.908
281 2HD1 LEU 40 2HD1 LEU 40 -0.036 0.090 -0.204
282 3HD1 LEU 40 3HD1 LEU 40 1.141 0.941 -1.207
283 1HD2 LEU 40 1HD2 LEU 40 -0.226 -2.832 -1.151
284 2HD2 LEU 40 2HD2 LEU 40 1.347 -2.906 -0.359
285 3HD2 LEU 40 3HD2 LEU 40 0.104 -1.817 0.254
286 H LYS 41 H LYS 41 3.076 -2.415 -5.330
287 HA LYS 41 HA LYS 41 1.771 -2.058 -7.884
288 1HB LYS 41 1HB LYS 41 4.223 -2.423 -7.690
289 2HB LYS 41 2HB LYS 41 3.912 -4.033 -7.058
290 1HG LYS 41 1HG LYS 41 4.500 -4.187 -9.378
291 2HG LYS 41 2HG LYS 41 2.800 -4.617 -9.182
292 1HD LYS 41 1HD LYS 41 2.141 -2.381 -9.910
293 2HD LYS 41 2HD LYS 41 3.839 -1.928 -10.080
294 1HE LYS 41 1HE LYS 41 4.119 -3.680 -11.780
295 2HE LYS 41 2HE LYS 41 2.411 -4.090 -11.625
296 1HZ LYS 41 1HZ LYS 41 3.249 -1.344 -12.310
297 2HZ LYS 41 2HZ LYS 41 3.123 -2.534 -13.508
298 3HZ LYS 41 3HZ LYS 41 1.764 -2.104 -12.597
299 H TRP 42 H TRP 42 -0.328 -2.747 -6.756
300 HA TRP 42 HA TRP 42 -0.910 -5.258 -5.839
301 1HB TRP 42 1HB TRP 42 -2.771 -3.795 -7.711
302 2HB TRP 42 2HB TRP 42 -3.192 -4.851 -6.368
303 HD1 TRP 42 HD1 TRP 42 -2.316 -1.269 -7.193
304 HE1 TRP 42 HE1 TRP 42 -2.580 0.185 -5.086
305 HE3 TRP 42 HE3 TRP 42 -2.985 -4.967 -3.719
306 HZ2 TRP 42 HZ2 TRP 42 -3.007 -0.180 -2.325
307 HZ3 TRP 42 HZ3 TRP 42 -3.310 -4.325 -1.366
308 HH2 TRP 42 HH2 TRP 42 -3.319 -1.980 -0.682
309 H LYS 43 H LYS 43 -1.146 -7.254 -6.662
310 HA LYS 43 HA LYS 43 -0.006 -7.941 -9.111
311 1HB LYS 43 1HB LYS 43 -0.940 -10.185 -8.729
312 2HB LYS 43 2HB LYS 43 -0.212 -9.532 -7.268
313 1HG LYS 43 1HG LYS 43 -2.434 -8.920 -6.439
314 2HG LYS 43 2HG LYS 43 -3.156 -9.601 -7.898
315 1HD LYS 43 1HD LYS 43 -2.243 -11.800 -7.316
316 2HD LYS 43 2HD LYS 43 -1.526 -11.113 -5.857
317 1HE LYS 43 1HE LYS 43 -3.617 -12.265 -5.352
318 2HE LYS 43 2HE LYS 43 -3.747 -10.537 -5.028
319 1HZ LYS 43 1HZ LYS 43 -4.551 -10.840 -7.634
320 2HZ LYS 43 2HZ LYS 43 -5.253 -12.150 -6.824
321 3HZ LYS 43 3HZ LYS 43 -5.552 -10.572 -6.295
322 H GLY 44 H GLY 44 -0.761 -8.401 -11.105
323 1HA GLY 44 1HA GLY 44 -3.578 -8.461 -11.695
324 2HA GLY 44 2HA GLY 44 -2.263 -8.554 -12.859
325 H PHE 45 H PHE 45 -2.719 -6.029 -10.455
326 HA PHE 45 HA PHE 45 -3.892 -4.180 -12.269
327 1HB PHE 45 1HB PHE 45 -2.687 -3.824 -9.525
328 2HB PHE 45 2HB PHE 45 -3.446 -2.518 -10.426
329 HD1 PHE 45 HD1 PHE 45 -5.349 -1.983 -9.221
330 HD2 PHE 45 HD2 PHE 45 -4.517 -6.072 -10.060
331 HE1 PHE 45 HE1 PHE 45 -7.544 -2.613 -8.312
332 HE2 PHE 45 HE2 PHE 45 -6.711 -6.709 -9.151
333 HZ PHE 45 HZ PHE 45 -8.228 -4.978 -8.276
334 H SER 46 H SER 46 -2.943 -2.816 -13.647
335 HA SER 46 HA SER 46 -0.148 -2.964 -14.133
336 1HB SER 46 1HB SER 46 -2.213 -1.032 -15.215
337 2HB SER 46 2HB SER 46 -0.576 -1.226 -15.842
338 HG SER 46 HG SER 46 -2.621 -3.192 -15.786
339 H ASP 47 H ASP 47 0.620 -0.390 -14.748
340 HA ASP 47 HA ASP 47 1.537 0.554 -12.251
341 1HB ASP 47 1HB ASP 47 1.530 1.929 -14.948
342 2HB ASP 47 2HB ASP 47 2.451 2.457 -13.542
343 H GLU 48 H GLU 48 -0.805 1.943 -14.548
344 HA GLU 48 HA GLU 48 -1.527 4.122 -12.905
345 1HB GLU 48 1HB GLU 48 -3.068 2.791 -15.141
346 2HB GLU 48 2HB GLU 48 -3.436 4.360 -14.445
347 1HG GLU 48 1HG GLU 48 -1.278 5.210 -15.209
348 2HG GLU 48 2HG GLU 48 -0.909 3.634 -15.909
349 H ASP 49 H ASP 49 -2.815 0.870 -13.309
350 HA ASP 49 HA ASP 49 -5.196 1.093 -11.912
351 1HB ASP 49 1HB ASP 49 -3.288 -1.242 -12.106
352 2HB ASP 49 2HB ASP 49 -4.929 -1.350 -11.483
353 H ASN 50 H ASN 50 -1.914 0.725 -10.714
354 HA ASN 50 HA ASN 50 -2.349 -0.039 -8.106
355 1HB ASN 50 1HB ASN 50 -0.306 1.948 -9.118
356 2HB ASN 50 2HB ASN 50 -0.252 1.156 -7.546
357 1HD2 ASN 50 1HD2 ASN 50 1.176 1.117 -10.377
358 2HD2 ASN 50 2HD2 ASN 50 1.543 -0.562 -10.552
359 H THR 51 H THR 51 -2.844 0.952 -6.200
360 HA THR 51 HA THR 51 -3.530 3.799 -6.254
361 HB THR 51 HB THR 51 -5.641 2.585 -6.614
362 HG1 THR 51 HG1 THR 51 -6.567 3.364 -4.419
363 1HG2 THR 51 1HG2 THR 51 -4.581 0.708 -4.869
364 2HG2 THR 51 2HG2 THR 51 -5.861 1.480 -3.932
365 3HG2 THR 51 3HG2 THR 51 -6.230 0.740 -5.491
366 H TRP 52 H TRP 52 -2.854 4.869 -4.507
367 HA TRP 52 HA TRP 52 -1.290 3.536 -2.535
368 1HB TRP 52 1HB TRP 52 -2.257 6.393 -2.463
369 2HB TRP 52 2HB TRP 52 -0.879 5.703 -1.633
370 HD1 TRP 52 HD1 TRP 52 -1.848 5.765 -5.414
371 HE1 TRP 52 HE1 TRP 52 0.247 6.500 -6.721
372 HE3 TRP 52 HE3 TRP 52 1.334 6.449 -1.495
373 HZ2 TRP 52 HZ2 TRP 52 2.903 7.282 -6.151
374 HZ3 TRP 52 HZ3 TRP 52 3.622 7.182 -1.948
375 HH2 TRP 52 HH2 TRP 52 4.400 7.593 -4.228
376 H GLU 53 H GLU 53 -1.742 3.178 -0.383
377 HA GLU 53 HA GLU 53 -4.431 3.858 0.569
378 1HB GLU 53 1HB GLU 53 -3.144 1.133 0.823
379 2HB GLU 53 2HB GLU 53 -4.663 1.613 1.564
380 1HG GLU 53 1HG GLU 53 -4.127 1.500 -1.395
381 2HG GLU 53 2HG GLU 53 -4.985 0.277 -0.462
382 HA PRO 54 HA PRO 54 -2.366 5.450 4.117
383 1HB PRO 54 1HB PRO 54 -4.242 4.561 6.017
384 2HB PRO 54 2HB PRO 54 -4.251 6.114 5.181
385 1HG PRO 54 1HG PRO 54 -5.770 3.626 4.570
386 2HG PRO 54 2HG PRO 54 -6.262 5.319 4.386
387 1HD PRO 54 1HD PRO 54 -5.569 3.840 2.268
388 2HD PRO 54 2HD PRO 54 -5.125 5.558 2.372
389 H GLU 55 H GLU 55 -0.745 4.657 5.257
390 HA GLU 55 HA GLU 55 0.033 2.026 5.283
391 1HB GLU 55 1HB GLU 55 1.520 3.909 5.793
392 2HB GLU 55 2HB GLU 55 0.700 4.151 7.328
393 1HG GLU 55 1HG GLU 55 2.812 2.993 7.623
394 2HG GLU 55 2HG GLU 55 1.452 1.977 8.095
395 H GLU 56 H GLU 56 -2.177 3.633 7.441
396 HA GLU 56 HA GLU 56 -2.141 1.933 9.636
397 1HB GLU 56 1HB GLU 56 -4.544 3.305 8.419
398 2HB GLU 56 2HB GLU 56 -4.445 2.670 10.056
399 1HG GLU 56 1HG GLU 56 -2.662 4.266 10.562
400 2HG GLU 56 2HG GLU 56 -2.783 4.910 8.926
401 H ASN 57 H ASN 57 -4.168 1.682 6.710
402 HA ASN 57 HA ASN 57 -5.337 -0.795 7.492
403 1HB ASN 57 1HB ASN 57 -5.186 0.543 4.784
404 2HB ASN 57 2HB ASN 57 -6.157 -0.880 5.141
405 1HD2 ASN 57 1HD2 ASN 57 -6.344 2.314 4.711
406 2HD2 ASN 57 2HD2 ASN 57 -7.708 2.688 5.704
407 H LEU 58 H LEU 58 -2.582 0.105 5.503
408 HA LEU 58 HA LEU 58 -2.050 -2.266 4.203
409 1HB LEU 58 1HB LEU 58 0.098 -0.541 5.419
410 2HB LEU 58 2HB LEU 58 0.208 -1.540 3.983
411 HG LEU 58 HG LEU 58 -1.276 1.062 4.300
412 1HD1 LEU 58 1HD1 LEU 58 1.330 0.439 3.518
413 2HD1 LEU 58 2HD1 LEU 58 0.460 0.805 2.028
414 3HD1 LEU 58 3HD1 LEU 58 0.494 1.982 3.342
415 1HD2 LEU 58 1HD2 LEU 58 -2.117 -1.073 2.736
416 2HD2 LEU 58 2HD2 LEU 58 -2.593 0.616 2.571
417 3HD2 LEU 58 3HD2 LEU 58 -1.249 -0.017 1.622
418 H ASP 59 H ASP 59 -1.085 -4.162 4.679
419 HA ASP 59 HA ASP 59 -0.156 -4.594 7.435
420 1HB ASP 59 1HB ASP 59 -2.502 -5.488 7.001
421 2HB ASP 59 2HB ASP 59 -1.764 -6.625 5.879
422 H CYS 60 H CYS 60 1.677 -3.995 5.680
423 HA CYS 60 HA CYS 60 3.014 -6.541 5.146
424 1HB CYS 60 1HB CYS 60 2.792 -4.320 3.102
425 2HB CYS 60 2HB CYS 60 3.722 -5.804 2.918
426 HG CYS 60 HG CYS 60 0.868 -5.358 1.751
427 HA PRO 61 HA PRO 61 5.509 -3.052 7.267
428 1HB PRO 61 1HB PRO 61 6.189 -5.455 8.894
429 2HB PRO 61 2HB PRO 61 5.904 -3.790 9.413
430 1HG PRO 61 1HG PRO 61 4.054 -5.659 9.805
431 2HG PRO 61 2HG PRO 61 3.596 -4.015 9.318
432 1HD PRO 61 1HD PRO 61 3.699 -6.519 7.692
433 2HD PRO 61 2HD PRO 61 2.550 -5.168 7.615
434 H ASP 62 H ASP 62 6.220 -6.438 6.499
435 HA ASP 62 HA ASP 62 9.009 -6.205 6.319
436 1HB ASP 62 1HB ASP 62 7.824 -8.363 6.418
437 2HB ASP 62 2HB ASP 62 7.183 -8.084 4.803
438 H LEU 63 H LEU 63 6.479 -5.858 3.841
439 HA LEU 63 HA LEU 63 8.231 -5.411 1.682
440 1HB LEU 63 1HB LEU 63 5.402 -4.428 2.050
441 2HB LEU 63 2HB LEU 63 6.281 -4.454 0.534
442 HG LEU 63 HG LEU 63 5.334 -6.830 2.130
443 1HD1 LEU 63 1HD1 LEU 63 4.600 -5.637 -0.523
444 2HD1 LEU 63 2HD1 LEU 63 4.183 -7.292 -0.078
445 3HD1 LEU 63 3HD1 LEU 63 3.560 -5.940 0.869
446 1HD2 LEU 63 1HD2 LEU 63 7.681 -6.867 0.852
447 2HD2 LEU 63 2HD2 LEU 63 6.595 -8.255 0.899
448 3HD2 LEU 63 3HD2 LEU 63 6.615 -7.198 -0.512
449 H ILE 64 H ILE 64 6.709 -3.239 4.009
450 HA ILE 64 HA ILE 64 7.374 -0.792 2.861
451 HB ILE 64 HB ILE 64 7.357 -1.439 5.815
452 1HG1 ILE 64 1HG1 ILE 64 5.258 -2.114 4.755
453 2HG1 ILE 64 2HG1 ILE 64 5.007 -0.698 5.768
454 1HG2 ILE 64 1HG2 ILE 64 8.269 0.827 4.727
455 2HG2 ILE 64 2HG2 ILE 64 6.551 1.215 4.796
456 3HG2 ILE 64 3HG2 ILE 64 7.416 0.777 6.269
457 1HD1 ILE 64 1HD1 ILE 64 5.547 -0.307 2.871
458 2HD1 ILE 64 2HD1 ILE 64 3.953 -0.860 3.382
459 3HD1 ILE 64 3HD1 ILE 64 4.590 0.670 3.986
460 H ALA 65 H ALA 65 9.195 -2.744 5.208
461 HA ALA 65 HA ALA 65 11.466 -1.127 5.379
462 1HB ALA 65 1HB ALA 65 12.311 -3.814 5.592
463 2HB ALA 65 2HB ALA 65 10.677 -3.735 6.254
464 3HB ALA 65 3HB ALA 65 11.941 -2.684 6.894
465 H GLU 66 H GLU 66 10.597 -3.678 3.101
466 HA GLU 66 HA GLU 66 13.024 -3.933 1.752
467 1HB GLU 66 1HB GLU 66 10.192 -4.215 0.722
468 2HB GLU 66 2HB GLU 66 11.621 -4.700 -0.182
469 1HG GLU 66 1HG GLU 66 12.191 -6.304 1.560
470 2HG GLU 66 2HG GLU 66 10.774 -5.809 2.485
471 H PHE 67 H PHE 67 10.360 -1.663 1.280
472 HA PHE 67 HA PHE 67 11.338 -0.414 -1.041
473 1HB PHE 67 1HB PHE 67 9.099 -0.005 -0.582
474 2HB PHE 67 2HB PHE 67 9.399 0.335 1.116
475 HD1 PHE 67 HD1 PHE 67 9.241 2.476 1.810
476 HD2 PHE 67 HD2 PHE 67 10.262 1.732 -2.246
477 HE1 PHE 67 HE1 PHE 67 9.206 4.884 1.382
478 HE2 PHE 67 HE2 PHE 67 10.222 4.149 -2.704
479 HZ PHE 67 HZ PHE 67 9.696 5.736 -0.887
480 H LEU 68 H LEU 68 11.610 0.614 2.392
481 HA LEU 68 HA LEU 68 13.110 2.903 1.957
482 1HB LEU 68 1HB LEU 68 12.962 1.012 4.285
483 2HB LEU 68 2HB LEU 68 13.945 2.464 4.329
484 HG LEU 68 HG LEU 68 11.754 2.780 5.392
485 1HD1 LEU 68 1HD1 LEU 68 13.047 4.572 4.044
486 2HD1 LEU 68 2HD1 LEU 68 11.706 4.416 2.909
487 3HD1 LEU 68 3HD1 LEU 68 11.398 4.902 4.576
488 1HD2 LEU 68 1HD2 LEU 68 10.748 2.036 2.687
489 2HD2 LEU 68 2HD2 LEU 68 10.297 1.367 4.256
490 3HD2 LEU 68 3HD2 LEU 68 9.784 2.995 3.813
491 H GLN 69 H GLN 69 14.157 -0.453 2.105
492 HA GLN 69 HA GLN 69 16.877 -0.144 2.485
493 1HB GLN 69 1HB GLN 69 15.433 -2.080 0.663
494 2HB GLN 69 2HB GLN 69 17.142 -2.195 1.059
495 1HG GLN 69 1HG GLN 69 16.555 -2.432 3.432
496 2HG GLN 69 2HG GLN 69 14.848 -2.379 2.997
497 1HE2 GLN 69 1HE2 GLN 69 13.944 -4.295 2.965
498 2HE2 GLN 69 2HE2 GLN 69 14.698 -5.779 2.503
499 H SER 70 H SER 70 14.944 0.394 -0.407
500 HA SER 70 HA SER 70 17.024 0.745 -2.256
501 1HB SER 70 1HB SER 70 14.656 0.581 -2.932
502 2HB SER 70 2HB SER 70 14.328 2.137 -2.167
503 HG SER 70 HG SER 70 16.269 1.822 -4.202
504 H GLN 71 H GLN 71 15.323 3.075 -0.175
505 HA GLN 71 HA GLN 71 17.275 5.145 -0.822
506 1HB GLN 71 1HB GLN 71 14.846 5.180 0.980
507 2HB GLN 71 2HB GLN 71 15.876 6.569 0.664
508 1HG GLN 71 1HG GLN 71 15.306 6.431 -1.718
509 2HG GLN 71 2HG GLN 71 14.239 5.071 -1.369
510 1HE2 GLN 71 1HE2 GLN 71 12.196 5.620 -1.294
511 2HE2 GLN 71 2HE2 GLN 71 11.559 7.124 -0.737
512 H LYS 72 H LYS 72 18.516 3.039 0.296
513 HA LYS 72 HA LYS 72 19.540 4.136 2.770
514 1HB LYS 72 1HB LYS 72 17.663 2.823 3.561
515 2HB LYS 72 2HB LYS 72 18.221 1.426 2.652
516 1HG LYS 72 1HG LYS 72 18.744 1.167 4.996
517 2HG LYS 72 2HG LYS 72 20.229 1.324 4.056
518 1HD LYS 72 1HD LYS 72 20.359 2.636 6.100
519 2HD LYS 72 2HD LYS 72 20.370 3.686 4.683
520 1HE LYS 72 1HE LYS 72 18.931 4.598 6.420
521 2HE LYS 72 2HE LYS 72 17.987 4.140 5.003
522 1HZ LYS 72 1HZ LYS 72 18.049 1.917 6.646
523 2HZ LYS 72 2HZ LYS 72 17.744 3.227 7.670
524 3HZ LYS 72 3HZ LYS 72 16.730 2.933 6.348
525 H THR 73 H THR 73 21.678 3.741 2.956
526 HA THR 73 HA THR 73 23.784 3.059 2.395
527 HB THR 73 HB THR 73 22.509 0.392 1.730
528 HG1 THR 73 HG1 THR 73 21.857 0.842 3.798
529 1HG2 THR 73 1HG2 THR 73 25.274 1.355 2.171
530 2HG2 THR 73 2HG2 THR 73 24.854 -0.190 2.910
531 3HG2 THR 73 3HG2 THR 73 24.682 0.031 1.169
532 H ALA 74 H ALA 74 21.664 3.895 0.391
533 HA ALA 74 HA ALA 74 23.163 4.266 -1.876
534 1HB ALA 74 1HB ALA 74 22.032 1.582 -1.754
535 2HB ALA 74 2HB ALA 74 21.507 2.471 -3.184
536 3HB ALA 74 3HB ALA 74 23.228 2.251 -2.865
537 H HIS 75 H HIS 75 21.618 5.891 -0.562
538 HA HIS 75 HA HIS 75 18.894 6.029 -1.031
539 1HB HIS 75 1HB HIS 75 20.824 8.355 -0.798
540 2HB HIS 75 2HB HIS 75 19.087 8.427 -0.536
541 HD1 HIS 75 HD1 HIS 75 20.290 9.427 1.802
542 HD2 HIS 75 HD2 HIS 75 20.204 5.318 1.197
543 HE1 HIS 75 HE1 HIS 75 20.628 8.407 4.075
544 HE2 HIS 75 HE2 HIS 75 20.671 5.921 3.668
545 H GLU 76 H GLU 76 19.116 8.879 -2.203
546 HA GLU 76 HA GLU 76 18.280 8.262 -4.814
547 1HB GLU 76 1HB GLU 76 18.362 10.695 -5.202
548 2HB GLU 76 2HB GLU 76 17.558 10.292 -3.691
549 1HG GLU 76 1HG GLU 76 19.612 10.840 -2.466
550 2HG GLU 76 2HG GLU 76 20.389 11.276 -3.987
551 H THR 77 H THR 77 19.303 8.203 -6.742
552 HA THR 77 HA THR 77 21.827 9.340 -7.287
553 HB THR 77 HB THR 77 22.689 7.576 -5.832
554 HG1 THR 77 HG1 THR 77 23.617 8.157 -8.084
555 1HG2 THR 77 1HG2 THR 77 20.796 5.988 -6.194
556 2HG2 THR 77 2HG2 THR 77 21.483 5.604 -7.772
557 3HG2 THR 77 3HG2 THR 77 22.390 5.238 -6.305
558 H ASP 78 H ASP 78 19.164 9.005 -8.436
559 HA ASP 78 HA ASP 78 19.572 7.331 -10.776
560 1HB ASP 78 1HB ASP 78 17.359 7.392 -9.685
561 2HB ASP 78 2HB ASP 78 17.241 9.115 -10.032
562 H LYS 79 H LYS 79 18.852 10.760 -10.133
563 HA LYS 79 HA LYS 79 19.413 11.550 -12.825
564 1HB LYS 79 1HB LYS 79 17.811 12.772 -11.413
565 2HB LYS 79 2HB LYS 79 19.115 13.227 -10.326
566 1HG LYS 79 1HG LYS 79 20.177 14.494 -12.124
567 2HG LYS 79 2HG LYS 79 18.871 14.035 -13.217
568 1HD LYS 79 1HD LYS 79 18.478 16.268 -12.373
569 2HD LYS 79 2HD LYS 79 17.264 15.166 -11.719
570 1HE LYS 79 1HE LYS 79 18.528 15.014 -9.630
571 2HE LYS 79 2HE LYS 79 19.747 16.106 -10.286
572 1HZ LYS 79 1HZ LYS 79 17.613 17.602 -10.628
573 2HZ LYS 79 2HZ LYS 79 17.058 16.690 -9.315
574 3HZ LYS 79 3HZ LYS 79 18.478 17.597 -9.175
575 H SER 80 H SER 80 21.244 12.353 -13.693
576 HA SER 80 HA SER 80 23.393 13.454 -12.233
577 1HB SER 80 1HB SER 80 23.744 11.122 -11.525
578 2HB SER 80 2HB SER 80 23.826 10.621 -13.214
579 HG SER 80 HG SER 80 25.895 10.993 -12.150
580 H1 ALA 1 H1 ALA 1 -3.959 -15.262 9.134
581 H2 ALA 1 H2 ALA 1 -5.644 -15.122 9.167
582 H3 ALA 1 H3 ALA 1 -4.852 -15.458 7.710
583 HA ALA 1 HA ALA 1 -5.099 -13.276 7.357
584 1HB ALA 1 1HB ALA 1 -5.600 -13.281 10.249
585 2HB ALA 1 2HB ALA 1 -4.921 -11.781 9.615
586 3HB ALA 1 3HB ALA 1 -6.426 -12.418 8.953
587 H ARG 2 H ARG 2 -2.702 -14.671 7.298
588 HA ARG 2 HA ARG 2 -0.821 -12.572 7.209
589 1HB ARG 2 1HB ARG 2 0.751 -13.425 8.945
590 2HB ARG 2 2HB ARG 2 -0.734 -12.756 9.608
591 1HG ARG 2 1HG ARG 2 -1.622 -14.991 9.937
592 2HG ARG 2 2HG ARG 2 -0.173 -15.689 9.213
593 1HD ARG 2 1HD ARG 2 1.189 -14.776 11.004
594 2HD ARG 2 2HD ARG 2 -0.228 -13.998 11.709
595 HE ARG 2 HE ARG 2 -0.644 -15.963 12.764
596 1HH1 ARG 2 1HH1 ARG 2 1.099 -16.692 9.828
597 2HH1 ARG 2 2HH1 ARG 2 1.115 -18.400 10.116
598 1HH2 ARG 2 1HH2 ARG 2 -0.626 -18.206 13.141
599 2HH2 ARG 2 2HH2 ARG 2 0.135 -19.259 11.997
600 H THR 3 H THR 3 -1.693 -14.461 5.390
601 HA THR 3 HA THR 3 -0.118 -16.772 5.172
602 HB THR 3 HB THR 3 -0.698 -16.753 2.773
603 HG1 THR 3 HG1 THR 3 -2.327 -14.552 2.905
604 1HG2 THR 3 1HG2 THR 3 -2.520 -16.753 4.969
605 2HG2 THR 3 2HG2 THR 3 -3.316 -16.029 3.571
606 3HG2 THR 3 3HG2 THR 3 -2.620 -17.645 3.450
607 H GLN 5 H GLN 5 1.370 -11.823 4.939
608 HA GLN 5 HA GLN 5 1.020 -9.593 5.112
609 1HB GLN 5 1HB GLN 5 3.296 -9.565 3.144
610 2HB GLN 5 2HB GLN 5 2.539 -8.083 3.707
611 1HG GLN 5 1HG GLN 5 4.507 -8.475 4.993
612 2HG GLN 5 2HG GLN 5 3.104 -8.725 6.027
613 1HE2 GLN 5 1HE2 GLN 5 6.035 -9.930 5.115
614 2HE2 GLN 5 2HE2 GLN 5 5.855 -11.560 5.659
615 H THR 6 H THR 6 -0.577 -8.353 4.406
616 HA THR 6 HA THR 6 -1.105 -7.994 1.578
617 HB THR 6 HB THR 6 -3.514 -8.657 1.816
618 HG1 THR 6 HG1 THR 6 -3.581 -8.675 4.118
619 1HG2 THR 6 1HG2 THR 6 -1.742 -10.125 0.782
620 2HG2 THR 6 2HG2 THR 6 -1.660 -10.980 2.323
621 3HG2 THR 6 3HG2 THR 6 -3.161 -10.973 1.396
622 H ALA 7 H ALA 7 -1.388 -5.866 1.422
623 HA ALA 7 HA ALA 7 -2.114 -4.226 3.635
624 1HB ALA 7 1HB ALA 7 -1.453 -3.782 0.782
625 2HB ALA 7 2HB ALA 7 -2.359 -2.519 1.616
626 3HB ALA 7 3HB ALA 7 -0.788 -3.032 2.234
627 H ARG 8 H ARG 8 -3.954 -6.127 1.625
628 HA ARG 8 HA ARG 8 -6.180 -6.366 1.299
629 1HB ARG 8 1HB ARG 8 -6.337 -4.293 3.490
630 2HB ARG 8 2HB ARG 8 -7.736 -5.127 2.825
631 1HG ARG 8 1HG ARG 8 -6.774 -7.273 3.532
632 2HG ARG 8 2HG ARG 8 -5.406 -6.409 4.238
633 1HD ARG 8 1HD ARG 8 -8.290 -6.036 5.035
634 2HD ARG 8 2HD ARG 8 -7.123 -7.036 5.900
635 HE ARG 8 HE ARG 8 -6.075 -4.450 5.644
636 1HH1 ARG 8 1HH1 ARG 8 -8.655 -6.126 7.278
637 2HH1 ARG 8 2HH1 ARG 8 -8.688 -5.034 8.621
638 1HH2 ARG 8 1HH2 ARG 8 -6.109 -3.009 7.412
639 2HH2 ARG 8 2HH2 ARG 8 -7.240 -3.262 8.697
640 H SER 10 H SER 10 -9.811 -1.096 0.272
641 HA SER 10 HA SER 10 -9.461 0.512 2.583
642 1HB SER 10 1HB SER 10 -9.387 2.713 1.526
643 2HB SER 10 2HB SER 10 -7.994 1.762 1.010
644 HG SER 10 HG SER 10 -9.413 1.199 -0.858
645 H THR 11 H THR 11 -11.419 -1.162 2.167
646 HA THR 11 HA THR 11 -13.659 -1.478 2.000
647 HB THR 11 HB THR 11 -15.126 0.364 2.639
648 HG1 THR 11 HG1 THR 11 -14.403 2.442 2.748
649 1HG2 THR 11 1HG2 THR 11 -12.557 0.074 4.173
650 2HG2 THR 11 2HG2 THR 11 -13.898 1.051 4.771
651 3HG2 THR 11 3HG2 THR 11 -14.120 -0.677 4.493
652 H GLY 12 H GLY 12 -12.420 -1.373 -0.430
653 1HA GLY 12 1HA GLY 12 -14.592 -0.853 -2.174
654 2HA GLY 12 2HA GLY 12 -12.968 -1.311 -2.658
655 H GLY 13 H GLY 13 -12.136 0.092 -4.035
656 1HA GLY 13 1HA GLY 13 -11.220 2.179 -4.617
657 2HA GLY 13 2HA GLY 13 -12.242 2.941 -3.408
658 H LYS 14 H LYS 14 -13.040 0.790 -6.115
659 HA LYS 14 HA LYS 14 -14.121 2.848 -7.747
660 1HB LYS 14 1HB LYS 14 -15.012 0.970 -9.103
661 2HB LYS 14 2HB LYS 14 -13.297 0.810 -8.747
662 1HG LYS 14 1HG LYS 14 -13.781 -0.805 -7.004
663 2HG LYS 14 2HG LYS 14 -15.512 -0.609 -7.281
664 1HD LYS 14 1HD LYS 14 -13.530 -1.616 -9.320
665 2HD LYS 14 2HD LYS 14 -14.598 -2.635 -8.355
666 1HE LYS 14 1HE LYS 14 -16.543 -1.509 -9.347
667 2HE LYS 14 2HE LYS 14 -15.462 -0.520 -10.328
668 1HZ LYS 14 1HZ LYS 14 -15.687 -3.480 -10.452
669 2HZ LYS 14 2HZ LYS 14 -16.326 -2.394 -11.580
670 3HZ LYS 14 3HZ LYS 14 -14.650 -2.532 -11.394
671 H ALA 15 H ALA 15 -16.530 1.079 -8.399
672 HA ALA 15 HA ALA 15 -18.296 1.113 -6.201
673 1HB ALA 15 1HB ALA 15 -18.721 3.396 -8.123
674 2HB ALA 15 2HB ALA 15 -19.676 3.010 -6.692
675 3HB ALA 15 3HB ALA 15 -18.013 3.569 -6.516
676 HA PRO 16 HA PRO 16 -20.306 -1.608 -9.066
677 1HB PRO 16 1HB PRO 16 -22.797 -1.622 -7.888
678 2HB PRO 16 2HB PRO 16 -21.431 -2.606 -7.351
679 1HG PRO 16 1HG PRO 16 -22.436 -0.004 -6.270
680 2HG PRO 16 2HG PRO 16 -21.851 -1.431 -5.395
681 1HD PRO 16 1HD PRO 16 -20.311 0.740 -5.727
682 2HD PRO 16 2HD PRO 16 -19.625 -0.899 -5.760
683 H GLY 17 H GLY 17 -22.183 1.236 -8.010
684 1HA GLY 17 1HA GLY 17 -23.901 1.322 -10.241
685 2HA GLY 17 2HA GLY 17 -22.490 2.313 -10.580
686 H GLY 18 H GLY 18 -24.202 1.806 -7.513
687 1HA GLY 18 1HA GLY 18 -25.685 4.185 -7.520
688 2HA GLY 18 2HA GLY 18 -24.124 4.525 -6.789
No H/Q in entry = 688
Start of MODEL 11
1 H1 HIS 8 H1 HIS 8 -12.673 2.905 16.490
2 H2 HIS 8 H2 HIS 8 -12.510 4.524 16.955
3 H3 HIS 8 H3 HIS 8 -13.568 3.505 17.794
4 HA HIS 8 HA HIS 8 -15.041 4.631 16.491
5 1HB HIS 8 1HB HIS 8 -13.247 5.895 15.342
6 2HB HIS 8 2HB HIS 8 -12.972 4.518 14.281
7 HD1 HIS 8 HD1 HIS 8 -15.480 3.783 13.080
8 HD2 HIS 8 HD2 HIS 8 -14.739 7.746 14.086
9 HE1 HIS 8 HE1 HIS 8 -17.060 5.140 11.672
10 HE2 HIS 8 HE2 HIS 8 -16.651 7.530 12.358
11 H MET 9 H MET 9 -13.081 2.099 14.960
12 HA MET 9 HA MET 9 -15.119 0.999 13.365
13 1HB MET 9 1HB MET 9 -12.691 -0.353 14.554
14 2HB MET 9 2HB MET 9 -13.680 -1.003 13.257
15 1HG MET 9 1HG MET 9 -12.234 1.620 13.050
16 2HG MET 9 2HG MET 9 -11.510 0.083 12.586
17 1HE MET 9 1HE MET 9 -14.221 2.538 12.269
18 2HE MET 9 2HE MET 9 -14.320 2.798 10.528
19 3HE MET 9 3HE MET 9 -15.401 1.645 11.310
20 H VAL 10 H VAL 10 -16.769 -0.337 13.795
21 HA VAL 10 HA VAL 10 -17.565 -0.827 16.460
22 HB VAL 10 HB VAL 10 -19.360 -2.216 15.480
23 1HG1 VAL 10 1HG1 VAL 10 -18.896 0.539 15.126
24 2HG1 VAL 10 2HG1 VAL 10 -19.628 -0.048 13.633
25 3HG1 VAL 10 3HG1 VAL 10 -20.444 -0.304 15.175
26 1HG2 VAL 10 1HG2 VAL 10 -17.647 -1.952 13.060
27 2HG2 VAL 10 2HG2 VAL 10 -18.572 -3.335 13.644
28 3HG2 VAL 10 3HG2 VAL 10 -19.398 -1.993 12.851
29 H GLU 11 H GLU 11 -17.178 -2.460 17.807
30 HA GLU 11 HA GLU 11 -15.325 -4.516 17.035
31 1HB GLU 11 1HB GLU 11 -15.770 -5.271 19.472
32 2HB GLU 11 2HB GLU 11 -14.920 -3.760 19.189
33 1HG GLU 11 1HG GLU 11 -16.524 -3.500 20.968
34 2HG GLU 11 2HG GLU 11 -16.993 -2.523 19.580
35 H GLU 12 H GLU 12 -16.794 -6.316 19.111
36 HA GLU 12 HA GLU 12 -18.088 -8.172 19.036
37 1HB GLU 12 1HB GLU 12 -19.855 -6.402 18.877
38 2HB GLU 12 2HB GLU 12 -19.818 -6.589 17.130
39 1HG GLU 12 1HG GLU 12 -20.521 -8.909 17.352
40 2HG GLU 12 2HG GLU 12 -20.529 -8.745 19.107
41 H VAL 13 H VAL 13 -19.606 -8.072 16.068
42 HA VAL 13 HA VAL 13 -18.324 -10.328 15.059
43 HB VAL 13 HB VAL 13 -19.812 -8.246 13.452
44 1HG1 VAL 13 1HG1 VAL 13 -18.526 -10.694 12.726
45 2HG1 VAL 13 2HG1 VAL 13 -20.267 -10.856 12.498
46 3HG1 VAL 13 3HG1 VAL 13 -19.392 -9.546 11.705
47 1HG2 VAL 13 1HG2 VAL 13 -20.937 -9.293 15.544
48 2HG2 VAL 13 2HG2 VAL 13 -21.822 -9.243 14.020
49 3HG2 VAL 13 3HG2 VAL 13 -21.051 -10.741 14.544
50 H LEU 14 H LEU 14 -16.512 -10.650 13.932
51 HA LEU 14 HA LEU 14 -14.825 -8.382 13.320
52 1HB LEU 14 1HB LEU 14 -13.204 -10.212 12.569
53 2HB LEU 14 2HB LEU 14 -13.581 -10.097 14.273
54 HG LEU 14 HG LEU 14 -13.423 -12.429 13.337
55 1HD1 LEU 14 1HD1 LEU 14 -15.378 -11.308 15.113
56 2HD1 LEU 14 2HD1 LEU 14 -16.024 -12.737 14.305
57 3HD1 LEU 14 3HD1 LEU 14 -14.515 -12.844 15.213
58 1HD2 LEU 14 1HD2 LEU 14 -14.620 -11.877 11.202
59 2HD2 LEU 14 2HD2 LEU 14 -15.178 -13.335 12.022
60 3HD2 LEU 14 3HD2 LEU 14 -16.118 -11.847 12.131
61 H GLU 15 H GLU 15 -13.398 -9.169 11.138
62 HA GLU 15 HA GLU 15 -13.403 -8.816 8.884
63 1HB GLU 15 1HB GLU 15 -15.613 -10.865 9.107
64 2HB GLU 15 2HB GLU 15 -14.798 -10.433 7.610
65 1HG GLU 15 1HG GLU 15 -12.677 -11.211 8.549
66 2HG GLU 15 2HG GLU 15 -13.508 -11.662 10.036
67 H GLU 16 H GLU 16 -15.871 -9.227 7.201
68 HA GLU 16 HA GLU 16 -17.356 -7.854 6.161
69 1HB GLU 16 1HB GLU 16 -18.080 -7.535 9.063
70 2HB GLU 16 2HB GLU 16 -18.985 -6.710 7.802
71 1HG GLU 16 1HG GLU 16 -20.060 -8.790 8.463
72 2HG GLU 16 2HG GLU 16 -19.548 -8.836 6.778
73 H GLU 17 H GLU 17 -14.992 -6.693 6.036
74 HA GLU 17 HA GLU 17 -15.623 -3.912 5.929
75 1HB GLU 17 1HB GLU 17 -13.796 -3.146 7.417
76 2HB GLU 17 2HB GLU 17 -15.070 -3.992 8.282
77 1HG GLU 17 1HG GLU 17 -13.700 -6.006 8.349
78 2HG GLU 17 2HG GLU 17 -12.424 -5.170 7.465
79 H GLU 18 H GLU 18 -12.588 -3.394 6.224
80 HA GLU 18 HA GLU 18 -11.941 -3.466 3.514
81 1HB GLU 18 1HB GLU 18 -10.081 -3.363 5.864
82 2HB GLU 18 2HB GLU 18 -9.653 -2.943 4.216
83 1HG GLU 18 1HG GLU 18 -11.242 -1.103 4.262
84 2HG GLU 18 2HG GLU 18 -11.712 -1.537 5.905
85 H GLU 19 H GLU 19 -11.270 -5.050 2.208
86 HA GLU 19 HA GLU 19 -10.571 -7.635 3.375
87 1HB GLU 19 1HB GLU 19 -12.284 -7.578 1.618
88 2HB GLU 19 2HB GLU 19 -11.124 -6.860 0.507
89 1HG GLU 19 1HG GLU 19 -9.755 -8.874 0.623
90 2HG GLU 19 2HG GLU 19 -10.905 -9.595 1.749
91 H GLU 20 H GLU 20 -8.630 -8.654 3.093
92 HA GLU 20 HA GLU 20 -6.365 -7.007 2.509
93 1HB GLU 20 1HB GLU 20 -6.515 -9.985 3.013
94 2HB GLU 20 2HB GLU 20 -5.043 -9.026 2.992
95 1HG GLU 20 1HG GLU 20 -5.848 -7.746 4.911
96 2HG GLU 20 2HG GLU 20 -7.321 -8.714 4.934
97 H TYR 21 H TYR 21 -5.234 -6.818 0.678
98 HA TYR 21 HA TYR 21 -5.895 -8.631 -1.550
99 1HB TYR 21 1HB TYR 21 -5.366 -5.671 -1.523
100 2HB TYR 21 2HB TYR 21 -5.126 -6.617 -2.986
101 HD1 TYR 21 HD1 TYR 21 -7.804 -6.755 -0.372
102 HD2 TYR 21 HD2 TYR 21 -6.817 -6.077 -4.454
103 HE1 TYR 21 HE1 TYR 21 -10.194 -6.546 -0.909
104 HE2 TYR 21 HE2 TYR 21 -9.203 -5.865 -5.002
105 HH TYR 21 HH TYR 21 -11.273 -5.779 -4.205
106 H VAL 22 H VAL 22 -4.244 -9.423 -2.812
107 HA VAL 22 HA VAL 22 -1.771 -9.900 -1.637
108 HB VAL 22 HB VAL 22 -2.483 -9.964 -4.576
109 1HG1 VAL 22 1HG1 VAL 22 -0.095 -11.011 -3.076
110 2HG1 VAL 22 2HG1 VAL 22 -0.578 -11.639 -4.650
111 3HG1 VAL 22 3HG1 VAL 22 -0.125 -9.944 -4.480
112 1HG2 VAL 22 1HG2 VAL 22 -3.232 -11.610 -2.360
113 2HG2 VAL 22 2HG2 VAL 22 -3.695 -11.749 -4.057
114 3HG2 VAL 22 3HG2 VAL 22 -2.232 -12.545 -3.475
115 H VAL 23 H VAL 23 0.157 -8.878 -1.617
116 HA VAL 23 HA VAL 23 0.333 -6.328 -3.087
117 HB VAL 23 HB VAL 23 1.795 -6.949 -0.530
118 1HG1 VAL 23 1HG1 VAL 23 2.679 -5.162 -1.984
119 2HG1 VAL 23 2HG1 VAL 23 1.131 -4.327 -1.858
120 3HG1 VAL 23 3HG1 VAL 23 2.124 -4.564 -0.421
121 1HG2 VAL 23 1HG2 VAL 23 -0.943 -6.714 -0.711
122 2HG2 VAL 23 2HG2 VAL 23 0.030 -6.439 0.734
123 3HG2 VAL 23 3HG2 VAL 23 -0.421 -5.082 -0.297
124 H GLU 24 H GLU 24 2.090 -5.943 -4.324
125 HA GLU 24 HA GLU 24 3.952 -8.132 -4.724
126 1HB GLU 24 1HB GLU 24 2.967 -7.012 -6.673
127 2HB GLU 24 2HB GLU 24 3.684 -5.489 -6.169
128 1HG GLU 24 1HG GLU 24 5.909 -6.408 -6.487
129 2HG GLU 24 2HG GLU 24 5.215 -7.963 -6.941
130 H LYS 25 H LYS 25 4.577 -4.626 -4.689
131 HA LYS 25 HA LYS 25 6.458 -4.823 -2.503
132 1HB LYS 25 1HB LYS 25 7.424 -4.330 -5.323
133 2HB LYS 25 2HB LYS 25 8.361 -3.915 -3.895
134 1HG LYS 25 1HG LYS 25 8.392 -6.267 -3.231
135 2HG LYS 25 2HG LYS 25 7.455 -6.682 -4.668
136 1HD LYS 25 1HD LYS 25 10.184 -5.392 -4.683
137 2HD LYS 25 2HD LYS 25 9.871 -7.108 -4.946
138 1HE LYS 25 1HE LYS 25 8.528 -6.561 -6.916
139 2HE LYS 25 2HE LYS 25 8.832 -4.844 -6.650
140 1HZ LYS 25 1HZ LYS 25 11.318 -5.783 -6.713
141 2HZ LYS 25 2HZ LYS 25 10.572 -6.885 -7.759
142 3HZ LYS 25 3HZ LYS 25 10.502 -5.228 -8.087
143 H VAL 26 H VAL 26 6.716 -2.952 -1.486
144 HA VAL 26 HA VAL 26 5.056 -0.762 -2.046
145 HB VAL 26 HB VAL 26 7.057 -1.458 -0.045
146 1HG1 VAL 26 1HG1 VAL 26 6.885 1.398 -0.963
147 2HG1 VAL 26 2HG1 VAL 26 7.431 0.937 0.651
148 3HG1 VAL 26 3HG1 VAL 26 8.323 0.395 -0.774
149 1HG2 VAL 26 1HG2 VAL 26 4.569 -1.290 0.222
150 2HG2 VAL 26 2HG2 VAL 26 5.513 -0.436 1.442
151 3HG2 VAL 26 3HG2 VAL 26 4.751 0.466 0.128
152 H LEU 27 H LEU 27 5.347 1.069 -3.186
153 HA LEU 27 HA LEU 27 7.789 1.295 -4.763
154 1HB LEU 27 1HB LEU 27 5.119 2.666 -5.071
155 2HB LEU 27 2HB LEU 27 6.492 2.896 -6.137
156 HG LEU 27 HG LEU 27 4.976 0.312 -5.736
157 1HD1 LEU 27 1HD1 LEU 27 4.796 2.521 -7.685
158 2HD1 LEU 27 2HD1 LEU 27 4.729 0.886 -8.340
159 3HD1 LEU 27 3HD1 LEU 27 3.561 1.396 -7.122
160 1HD2 LEU 27 1HD2 LEU 27 7.583 0.439 -6.347
161 2HD2 LEU 27 2HD2 LEU 27 6.494 -0.783 -7.003
162 3HD2 LEU 27 3HD2 LEU 27 6.893 0.645 -7.957
163 H ASP 28 H ASP 28 5.779 3.180 -2.513
164 HA ASP 28 HA ASP 28 8.004 4.601 -1.516
165 1HB ASP 28 1HB ASP 28 7.514 5.609 -3.910
166 2HB ASP 28 2HB ASP 28 6.264 6.495 -3.041
167 H ARG 29 H ARG 29 6.310 7.115 -1.189
168 HA ARG 29 HA ARG 29 3.968 6.401 0.253
169 1HB ARG 29 1HB ARG 29 4.750 6.977 2.509
170 2HB ARG 29 2HB ARG 29 5.602 5.574 1.877
171 1HG ARG 29 1HG ARG 29 7.550 6.877 1.414
172 2HG ARG 29 2HG ARG 29 6.701 8.374 1.803
173 1HD ARG 29 1HD ARG 29 7.283 6.129 3.733
174 2HD ARG 29 2HD ARG 29 8.174 7.648 3.627
175 HE ARG 29 HE ARG 29 5.463 8.232 4.001
176 1HH1 ARG 29 1HH1 ARG 29 8.132 6.809 5.730
177 2HH1 ARG 29 2HH1 ARG 29 7.539 7.279 7.288
178 1HH2 ARG 29 1HH2 ARG 29 4.676 8.853 6.047
179 2HH2 ARG 29 2HH2 ARG 29 5.576 8.442 7.468
180 H ARG 30 H ARG 30 2.773 8.231 0.895
181 HA ARG 30 HA ARG 30 3.974 10.857 0.730
182 1HB ARG 30 1HB ARG 30 2.560 11.711 -1.035
183 2HB ARG 30 2HB ARG 30 3.477 10.337 -1.637
184 1HG ARG 30 1HG ARG 30 1.538 8.907 -1.423
185 2HG ARG 30 2HG ARG 30 0.611 10.233 -0.720
186 1HD ARG 30 1HD ARG 30 1.788 10.187 -3.497
187 2HD ARG 30 2HD ARG 30 0.092 9.914 -3.095
188 HE ARG 30 HE ARG 30 0.858 12.375 -2.022
189 1HH1 ARG 30 1HH1 ARG 30 0.399 10.884 -5.138
190 2HH1 ARG 30 2HH1 ARG 30 -0.017 12.368 -5.928
191 1HH2 ARG 30 1HH2 ARG 30 0.312 14.331 -3.053
192 2HH2 ARG 30 2HH2 ARG 30 -0.066 14.327 -4.743
193 H VAL 31 H VAL 31 2.893 12.367 1.892
194 HA VAL 31 HA VAL 31 0.614 11.450 3.451
195 HB VAL 31 HB VAL 31 2.158 14.044 3.635
196 1HG1 VAL 31 1HG1 VAL 31 0.033 12.822 5.379
197 2HG1 VAL 31 2HG1 VAL 31 1.102 14.116 5.922
198 3HG1 VAL 31 3HG1 VAL 31 0.006 14.388 4.568
199 1HG2 VAL 31 1HG2 VAL 31 3.452 11.946 4.123
200 2HG2 VAL 31 2HG2 VAL 31 3.351 13.091 5.460
201 3HG2 VAL 31 3HG2 VAL 31 2.333 11.650 5.454
202 H VAL 32 H VAL 32 -1.446 12.262 3.308
203 HA VAL 32 HA VAL 32 -2.052 13.810 0.922
204 HB VAL 32 HB VAL 32 -3.905 12.554 2.952
205 1HG1 VAL 32 1HG1 VAL 32 -4.400 14.054 0.406
206 2HG1 VAL 32 2HG1 VAL 32 -5.539 12.833 0.974
207 3HG1 VAL 32 3HG1 VAL 32 -5.178 14.237 1.979
208 1HG2 VAL 32 1HG2 VAL 32 -2.342 11.381 0.928
209 2HG2 VAL 32 2HG2 VAL 32 -3.620 10.628 1.883
210 3HG2 VAL 32 3HG2 VAL 32 -4.005 11.388 0.339
211 H LYS 33 H LYS 33 -2.708 14.036 4.404
212 HA LYS 33 HA LYS 33 -2.337 16.842 4.500
213 1HB LYS 33 1HB LYS 33 -4.686 17.462 5.063
214 2HB LYS 33 2HB LYS 33 -4.477 16.969 3.388
215 1HG LYS 33 1HG LYS 33 -5.365 14.749 3.941
216 2HG LYS 33 2HG LYS 33 -5.601 15.274 5.610
217 1HD LYS 33 1HD LYS 33 -7.153 17.002 4.855
218 2HD LYS 33 2HD LYS 33 -6.901 16.506 3.179
219 1HE LYS 33 1HE LYS 33 -8.056 14.786 5.373
220 2HE LYS 33 2HE LYS 33 -8.980 15.589 4.105
221 1HZ LYS 33 1HZ LYS 33 -7.165 14.217 2.683
222 2HZ LYS 33 2HZ LYS 33 -7.407 13.169 3.990
223 3HZ LYS 33 3HZ LYS 33 -8.720 13.653 3.040
224 H GLY 34 H GLY 34 -1.325 14.696 5.883
225 1HA GLY 34 1HA GLY 34 -2.574 14.939 8.550
226 2HA GLY 34 2HA GLY 34 -0.831 15.036 8.319
227 H LYS 35 H LYS 35 -2.884 12.886 6.508
228 HA LYS 35 HA LYS 35 -2.407 10.580 8.152
229 1HB LYS 35 1HB LYS 35 -3.554 10.816 5.370
230 2HB LYS 35 2HB LYS 35 -3.626 9.394 6.397
231 1HG LYS 35 1HG LYS 35 -5.008 10.575 7.996
232 2HG LYS 35 2HG LYS 35 -4.885 12.051 7.038
233 1HD LYS 35 1HD LYS 35 -7.006 10.987 6.600
234 2HD LYS 35 2HD LYS 35 -5.990 10.880 5.162
235 1HE LYS 35 1HE LYS 35 -5.400 8.580 5.747
236 2HE LYS 35 2HE LYS 35 -6.400 8.688 7.196
237 1HZ LYS 35 1HZ LYS 35 -7.741 9.345 4.713
238 2HZ LYS 35 2HZ LYS 35 -7.258 7.730 4.858
239 3HZ LYS 35 3HZ LYS 35 -8.277 8.417 6.022
240 H VAL 36 H VAL 36 -2.100 8.801 5.889
241 HA VAL 36 HA VAL 36 0.357 9.364 4.564
242 HB VAL 36 HB VAL 36 1.287 8.950 6.777
243 1HG1 VAL 36 1HG1 VAL 36 -0.192 6.335 6.591
244 2HG1 VAL 36 2HG1 VAL 36 1.099 6.647 7.751
245 3HG1 VAL 36 3HG1 VAL 36 -0.382 7.602 7.802
246 1HG2 VAL 36 1HG2 VAL 36 2.231 7.965 4.498
247 2HG2 VAL 36 2HG2 VAL 36 3.030 7.682 6.044
248 3HG2 VAL 36 3HG2 VAL 36 1.984 6.443 5.352
249 H GLU 37 H GLU 37 0.616 8.074 2.834
250 HA GLU 37 HA GLU 37 -0.741 5.488 2.716
251 1HB GLU 37 1HB GLU 37 -1.771 6.031 0.542
252 2HB GLU 37 2HB GLU 37 -2.406 7.025 1.847
253 1HG GLU 37 1HG GLU 37 -0.916 8.848 1.146
254 2HG GLU 37 2HG GLU 37 -0.362 7.856 -0.199
255 H TYR 38 H TYR 38 0.504 4.025 1.773
256 HA TYR 38 HA TYR 38 2.894 4.918 0.338
257 1HB TYR 38 1HB TYR 38 2.169 2.342 1.717
258 2HB TYR 38 2HB TYR 38 3.528 2.433 0.602
259 HD1 TYR 38 HD1 TYR 38 5.533 2.478 1.709
260 HD2 TYR 38 HD2 TYR 38 2.256 4.629 3.363
261 HE1 TYR 38 HE1 TYR 38 6.989 3.280 3.518
262 HE2 TYR 38 HE2 TYR 38 3.698 5.439 5.179
263 HH TYR 38 HH TYR 38 6.696 4.109 5.879
264 H LEU 39 H LEU 39 3.420 4.221 -1.706
265 HA LEU 39 HA LEU 39 1.200 3.369 -3.356
266 1HB LEU 39 1HB LEU 39 2.776 5.128 -4.105
267 2HB LEU 39 2HB LEU 39 4.072 3.948 -4.100
268 HG LEU 39 HG LEU 39 3.048 2.725 -5.904
269 1HD1 LEU 39 1HD1 LEU 39 0.713 3.134 -5.148
270 2HD1 LEU 39 2HD1 LEU 39 0.819 4.737 -5.880
271 3HD1 LEU 39 3HD1 LEU 39 0.963 3.297 -6.887
272 1HD2 LEU 39 1HD2 LEU 39 3.107 5.692 -6.415
273 2HD2 LEU 39 2HD2 LEU 39 4.445 4.557 -6.589
274 3HD2 LEU 39 3HD2 LEU 39 3.059 4.460 -7.674
275 H LEU 40 H LEU 40 1.002 1.377 -4.383
276 HA LEU 40 HA LEU 40 3.168 -0.540 -4.240
277 1HB LEU 40 1HB LEU 40 0.557 -1.101 -2.836
278 2HB LEU 40 2HB LEU 40 1.846 -2.259 -3.083
279 HG LEU 40 HG LEU 40 3.206 -0.338 -1.771
280 1HD1 LEU 40 1HD1 LEU 40 0.643 0.596 -1.570
281 2HD1 LEU 40 2HD1 LEU 40 0.867 -0.276 -0.053
282 3HD1 LEU 40 3HD1 LEU 40 1.984 1.014 -0.502
283 1HD2 LEU 40 1HD2 LEU 40 2.959 -2.792 -1.264
284 2HD2 LEU 40 2HD2 LEU 40 3.107 -1.733 0.138
285 3HD2 LEU 40 3HD2 LEU 40 1.527 -2.368 -0.324
286 H LYS 41 H LYS 41 3.105 -1.992 -5.854
287 HA LYS 41 HA LYS 41 1.055 -1.739 -7.857
288 1HB LYS 41 1HB LYS 41 3.364 -2.075 -8.551
289 2HB LYS 41 2HB LYS 41 3.447 -3.582 -7.651
290 1HG LYS 41 1HG LYS 41 3.199 -4.005 -10.023
291 2HG LYS 41 2HG LYS 41 1.780 -4.569 -9.140
292 1HD LYS 41 1HD LYS 41 0.578 -2.532 -9.781
293 2HD LYS 41 2HD LYS 41 2.000 -1.973 -10.665
294 1HE LYS 41 1HE LYS 41 0.348 -2.969 -12.167
295 2HE LYS 41 2HE LYS 41 1.847 -3.896 -12.152
296 1HZ LYS 41 1HZ LYS 41 0.551 -5.207 -10.296
297 2HZ LYS 41 2HZ LYS 41 -0.794 -4.617 -11.131
298 3HZ LYS 41 3HZ LYS 41 0.350 -5.569 -11.935
299 H TRP 42 H TRP 42 -0.738 -2.968 -8.044
300 HA TRP 42 HA TRP 42 -0.944 -5.288 -6.257
301 1HB TRP 42 1HB TRP 42 -3.241 -3.796 -7.535
302 2HB TRP 42 2HB TRP 42 -3.305 -4.935 -6.191
303 HD1 TRP 42 HD1 TRP 42 -2.737 -1.286 -6.965
304 HE1 TRP 42 HE1 TRP 42 -2.301 0.003 -4.784
305 HE3 TRP 42 HE3 TRP 42 -2.240 -5.238 -3.752
306 HZ2 TRP 42 HZ2 TRP 42 -1.817 -0.567 -2.073
307 HZ3 TRP 42 HZ3 TRP 42 -1.791 -4.772 -1.380
308 HH2 TRP 42 HH2 TRP 42 -1.582 -2.482 -0.557
309 H LYS 43 H LYS 43 -1.181 -7.260 -7.011
310 HA LYS 43 HA LYS 43 -0.713 -7.943 -9.658
311 1HB LYS 43 1HB LYS 43 -0.330 -9.464 -7.782
312 2HB LYS 43 2HB LYS 43 -2.062 -9.574 -7.501
313 1HG LYS 43 1HG LYS 43 -2.336 -10.607 -9.716
314 2HG LYS 43 2HG LYS 43 -0.587 -10.539 -9.943
315 1HD LYS 43 1HD LYS 43 -0.281 -11.966 -7.973
316 2HD LYS 43 2HD LYS 43 -2.031 -12.037 -7.755
317 1HE LYS 43 1HE LYS 43 -1.226 -14.044 -8.866
318 2HE LYS 43 2HE LYS 43 -2.257 -13.106 -9.946
319 1HZ LYS 43 1HZ LYS 43 0.662 -12.729 -10.013
320 2HZ LYS 43 2HZ LYS 43 -0.033 -14.048 -10.814
321 3HZ LYS 43 3HZ LYS 43 -0.479 -12.472 -11.238
322 H GLY 44 H GLY 44 -1.967 -8.626 -11.354
323 1HA GLY 44 1HA GLY 44 -4.839 -8.795 -11.126
324 2HA GLY 44 2HA GLY 44 -3.888 -9.045 -12.582
325 H PHE 45 H PHE 45 -4.166 -6.240 -10.405
326 HA PHE 45 HA PHE 45 -5.737 -4.719 -12.204
327 1HB PHE 45 1HB PHE 45 -4.014 -3.801 -9.893
328 2HB PHE 45 2HB PHE 45 -5.173 -2.792 -10.746
329 HD1 PHE 45 HD1 PHE 45 -7.095 -2.409 -9.578
330 HD2 PHE 45 HD2 PHE 45 -5.214 -6.209 -9.214
331 HE1 PHE 45 HE1 PHE 45 -8.873 -3.139 -8.044
332 HE2 PHE 45 HE2 PHE 45 -6.991 -6.947 -7.682
333 HZ PHE 45 HZ PHE 45 -8.825 -5.410 -7.094
334 H SER 46 H SER 46 -5.184 -3.044 -13.575
335 HA SER 46 HA SER 46 -3.003 -3.332 -15.212
336 1HB SER 46 1HB SER 46 -4.490 -0.765 -14.609
337 2HB SER 46 2HB SER 46 -3.476 -1.054 -16.023
338 HG SER 46 HG SER 46 -5.194 -1.857 -16.903
339 H ASP 47 H ASP 47 -1.039 -2.194 -15.495
340 HA ASP 47 HA ASP 47 0.528 -1.899 -13.222
341 1HB ASP 47 1HB ASP 47 2.180 -0.804 -14.713
342 2HB ASP 47 2HB ASP 47 1.522 -2.285 -15.398
343 H GLU 48 H GLU 48 -0.778 0.727 -15.275
344 HA GLU 48 HA GLU 48 0.070 2.764 -13.506
345 1HB GLU 48 1HB GLU 48 -1.449 4.229 -14.827
346 2HB GLU 48 2HB GLU 48 -0.298 3.335 -15.800
347 1HG GLU 48 1HG GLU 48 -3.105 2.376 -15.377
348 2HG GLU 48 2HG GLU 48 -2.685 3.518 -16.651
349 H ASP 49 H ASP 49 -2.415 0.517 -13.262
350 HA ASP 49 HA ASP 49 -4.342 2.147 -11.906
351 1HB ASP 49 1HB ASP 49 -4.853 -0.013 -13.117
352 2HB ASP 49 2HB ASP 49 -4.092 -0.859 -11.774
353 H ASN 50 H ASN 50 -1.518 2.090 -10.876
354 HA ASN 50 HA ASN 50 -1.436 0.704 -8.425
355 1HB ASN 50 1HB ASN 50 0.047 3.127 -9.439
356 2HB ASN 50 2HB ASN 50 0.341 2.447 -7.842
357 1HD2 ASN 50 1HD2 ASN 50 1.449 2.485 -10.901
358 2HD2 ASN 50 2HD2 ASN 50 2.241 0.953 -10.953
359 H THR 51 H THR 51 -2.049 1.256 -6.377
360 HA THR 51 HA THR 51 -3.337 3.867 -5.986
361 HB THR 51 HB THR 51 -4.538 1.215 -5.166
362 HG1 THR 51 HG1 THR 51 -4.682 2.071 -7.460
363 1HG2 THR 51 1HG2 THR 51 -4.804 3.536 -3.806
364 2HG2 THR 51 2HG2 THR 51 -6.110 3.699 -4.978
365 3HG2 THR 51 3HG2 THR 51 -6.060 2.302 -3.902
366 H TRP 52 H TRP 52 -2.670 4.851 -4.192
367 HA TRP 52 HA TRP 52 -0.863 3.547 -2.398
368 1HB TRP 52 1HB TRP 52 -2.093 6.293 -2.122
369 2HB TRP 52 2HB TRP 52 -0.640 5.695 -1.348
370 HD1 TRP 52 HD1 TRP 52 -1.761 6.001 -5.072
371 HE1 TRP 52 HE1 TRP 52 0.237 6.935 -6.402
372 HE3 TRP 52 HE3 TRP 52 1.603 6.456 -1.263
373 HZ2 TRP 52 HZ2 TRP 52 2.886 7.773 -5.895
374 HZ3 TRP 52 HZ3 TRP 52 3.839 7.325 -1.763
375 HH2 TRP 52 HH2 TRP 52 4.474 7.972 -4.030
376 H GLU 53 H GLU 53 -1.273 2.683 -0.446
377 HA GLU 53 HA GLU 53 -4.018 2.924 0.589
378 1HB GLU 53 1HB GLU 53 -2.042 0.699 1.107
379 2HB GLU 53 2HB GLU 53 -3.723 0.751 1.623
380 1HG GLU 53 1HG GLU 53 -2.673 0.518 -1.180
381 2HG GLU 53 2HG GLU 53 -3.567 -0.690 -0.258
382 HA PRO 54 HA PRO 54 -2.538 4.971 4.201
383 1HB PRO 54 1HB PRO 54 -4.400 3.331 5.787
384 2HB PRO 54 2HB PRO 54 -4.338 5.083 5.595
385 1HG PRO 54 1HG PRO 54 -6.268 3.581 4.463
386 2HG PRO 54 2HG PRO 54 -5.647 5.052 3.701
387 1HD PRO 54 1HD PRO 54 -5.099 2.198 3.046
388 2HD PRO 54 2HD PRO 54 -5.222 3.603 1.967
389 H GLU 55 H GLU 55 -0.885 4.598 5.573
390 HA GLU 55 HA GLU 55 0.507 2.225 5.639
391 1HB GLU 55 1HB GLU 55 1.535 4.305 6.299
392 2HB GLU 55 2HB GLU 55 0.455 4.452 7.679
393 1HG GLU 55 1HG GLU 55 2.727 3.720 8.284
394 2HG GLU 55 2HG GLU 55 1.476 2.571 8.753
395 H GLU 56 H GLU 56 -1.928 3.375 7.948
396 HA GLU 56 HA GLU 56 -1.661 1.290 9.810
397 1HB GLU 56 1HB GLU 56 -3.946 1.919 10.541
398 2HB GLU 56 2HB GLU 56 -2.872 3.302 10.377
399 1HG GLU 56 1HG GLU 56 -3.875 3.826 8.213
400 2HG GLU 56 2HG GLU 56 -4.953 2.440 8.380
401 H ASN 57 H ASN 57 -3.710 1.613 6.943
402 HA ASN 57 HA ASN 57 -5.180 -0.758 7.246
403 1HB ASN 57 1HB ASN 57 -4.391 0.728 4.731
404 2HB ASN 57 2HB ASN 57 -5.580 -0.566 4.791
405 1HD2 ASN 57 1HD2 ASN 57 -7.457 0.404 4.420
406 2HD2 ASN 57 2HD2 ASN 57 -8.075 1.760 5.292
407 H LEU 58 H LEU 58 -2.025 -0.118 5.857
408 HA LEU 58 HA LEU 58 -1.583 -2.478 4.472
409 1HB LEU 58 1HB LEU 58 0.525 -1.033 6.067
410 2HB LEU 58 2HB LEU 58 0.754 -2.009 4.631
411 HG LEU 58 HG LEU 58 -0.516 0.718 4.799
412 1HD1 LEU 58 1HD1 LEU 58 2.122 -0.104 4.457
413 2HD1 LEU 58 2HD1 LEU 58 1.560 0.329 2.842
414 3HD1 LEU 58 3HD1 LEU 58 1.456 1.501 4.157
415 1HD2 LEU 58 1HD2 LEU 58 -1.689 -0.891 3.227
416 2HD2 LEU 58 2HD2 LEU 58 -1.077 0.603 2.520
417 3HD2 LEU 58 3HD2 LEU 58 -0.193 -0.905 2.293
418 H ASP 59 H ASP 59 -0.665 -4.449 4.975
419 HA ASP 59 HA ASP 59 -0.227 -5.094 7.795
420 1HB ASP 59 1HB ASP 59 -2.607 -5.689 7.103
421 2HB ASP 59 2HB ASP 59 -1.900 -6.875 6.009
422 H CYS 60 H CYS 60 1.810 -4.658 6.205
423 HA CYS 60 HA CYS 60 3.159 -7.167 6.074
424 1HB CYS 60 1HB CYS 60 3.694 -7.082 3.655
425 2HB CYS 60 2HB CYS 60 1.984 -7.365 3.962
426 HG CYS 60 HG CYS 60 2.760 -4.136 3.569
427 HA PRO 61 HA PRO 61 5.487 -3.080 6.888
428 1HB PRO 61 1HB PRO 61 6.559 -4.954 8.947
429 2HB PRO 61 2HB PRO 61 6.184 -3.232 9.079
430 1HG PRO 61 1HG PRO 61 4.556 -5.055 10.127
431 2HG PRO 61 2HG PRO 61 3.909 -3.611 9.326
432 1HD PRO 61 1HD PRO 61 4.030 -6.427 8.353
433 2HD PRO 61 2HD PRO 61 2.797 -5.183 8.066
434 H ASP 62 H ASP 62 6.314 -6.456 6.479
435 HA ASP 62 HA ASP 62 9.057 -6.369 6.265
436 1HB ASP 62 1HB ASP 62 7.729 -8.440 6.172
437 2HB ASP 62 2HB ASP 62 7.163 -8.002 4.563
438 H LEU 63 H LEU 63 6.655 -5.596 3.752
439 HA LEU 63 HA LEU 63 8.564 -5.123 1.707
440 1HB LEU 63 1HB LEU 63 5.779 -3.990 1.976
441 2HB LEU 63 2HB LEU 63 6.739 -4.043 0.509
442 HG LEU 63 HG LEU 63 5.651 -6.437 1.994
443 1HD1 LEU 63 1HD1 LEU 63 4.672 -4.767 -0.215
444 2HD1 LEU 63 2HD1 LEU 63 4.575 -6.509 -0.472
445 3HD1 LEU 63 3HD1 LEU 63 3.788 -5.780 0.928
446 1HD2 LEU 63 1HD2 LEU 63 7.491 -6.152 -0.342
447 2HD2 LEU 63 2HD2 LEU 63 7.555 -7.284 1.010
448 3HD2 LEU 63 3HD2 LEU 63 6.366 -7.510 -0.273
449 H ILE 64 H ILE 64 6.949 -3.085 4.085
450 HA ILE 64 HA ILE 64 7.775 -0.579 3.212
451 HB ILE 64 HB ILE 64 7.468 -1.489 6.078
452 1HG1 ILE 64 1HG1 ILE 64 5.430 -0.243 4.221
453 2HG1 ILE 64 2HG1 ILE 64 5.491 -1.952 4.636
454 1HG2 ILE 64 1HG2 ILE 64 8.191 1.033 4.905
455 2HG2 ILE 64 2HG2 ILE 64 6.664 1.174 5.777
456 3HG2 ILE 64 3HG2 ILE 64 8.101 0.575 6.605
457 1HD1 ILE 64 1HD1 ILE 64 5.337 0.008 6.855
458 2HD1 ILE 64 2HD1 ILE 64 3.894 -0.265 5.876
459 3HD1 ILE 64 3HD1 ILE 64 4.655 -1.613 6.720
460 H ALA 65 H ALA 65 9.407 -2.928 5.297
461 HA ALA 65 HA ALA 65 11.677 -1.365 5.889
462 1HB ALA 65 1HB ALA 65 12.307 -4.173 5.737
463 2HB ALA 65 2HB ALA 65 10.753 -3.926 6.535
464 3HB ALA 65 3HB ALA 65 12.198 -3.125 7.151
465 H GLU 66 H GLU 66 10.929 -3.644 3.300
466 HA GLU 66 HA GLU 66 13.413 -3.770 2.046
467 1HB GLU 66 1HB GLU 66 11.536 -5.235 1.452
468 2HB GLU 66 2HB GLU 66 10.652 -3.863 0.801
469 1HG GLU 66 1HG GLU 66 12.376 -3.568 -0.909
470 2HG GLU 66 2HG GLU 66 13.251 -4.953 -0.259
471 H PHE 67 H PHE 67 10.853 -1.402 1.857
472 HA PHE 67 HA PHE 67 11.713 0.092 -0.337
473 1HB PHE 67 1HB PHE 67 9.517 0.381 0.607
474 2HB PHE 67 2HB PHE 67 10.191 0.877 2.151
475 HD1 PHE 67 HD1 PHE 67 10.936 1.983 -1.340
476 HD2 PHE 67 HD2 PHE 67 9.549 3.019 2.544
477 HE1 PHE 67 HE1 PHE 67 10.788 4.343 -2.026
478 HE2 PHE 67 HE2 PHE 67 9.398 5.373 1.878
479 HZ PHE 67 HZ PHE 67 10.019 6.044 -0.415
480 H LEU 68 H LEU 68 12.261 0.753 3.133
481 HA LEU 68 HA LEU 68 13.998 2.910 2.725
482 1HB LEU 68 1HB LEU 68 13.574 1.071 5.065
483 2HB LEU 68 2HB LEU 68 14.641 2.462 5.126
484 HG LEU 68 HG LEU 68 12.759 3.953 4.680
485 1HD1 LEU 68 1HD1 LEU 68 11.411 2.448 3.310
486 2HD1 LEU 68 2HD1 LEU 68 11.050 1.479 4.741
487 3HD1 LEU 68 3HD1 LEU 68 10.476 3.143 4.634
488 1HD2 LEU 68 1HD2 LEU 68 12.406 2.006 6.928
489 2HD2 LEU 68 2HD2 LEU 68 13.197 3.582 6.970
490 3HD2 LEU 68 3HD2 LEU 68 11.447 3.477 6.765
491 H GLN 69 H GLN 69 14.590 -0.540 2.770
492 HA GLN 69 HA GLN 69 17.276 -0.676 3.364
493 1HB GLN 69 1HB GLN 69 15.723 -2.205 1.272
494 2HB GLN 69 2HB GLN 69 17.375 -2.594 1.723
495 1HG GLN 69 1HG GLN 69 16.603 -2.930 4.054
496 2HG GLN 69 2HG GLN 69 14.950 -2.679 3.498
497 1HE2 GLN 69 1HE2 GLN 69 17.092 -4.973 4.309
498 2HE2 GLN 69 2HE2 GLN 69 16.506 -6.295 3.363
499 H SER 70 H SER 70 15.764 0.195 0.290
500 HA SER 70 HA SER 70 18.167 0.517 -1.171
501 1HB SER 70 1HB SER 70 15.454 1.803 -1.593
502 2HB SER 70 2HB SER 70 16.765 1.777 -2.773
503 HG SER 70 HG SER 70 16.411 -0.710 -2.036
504 H GLN 71 H GLN 71 16.073 2.759 0.585
505 HA GLN 71 HA GLN 71 17.843 4.998 0.134
506 1HB GLN 71 1HB GLN 71 15.382 4.752 1.871
507 2HB GLN 71 2HB GLN 71 16.205 6.251 1.461
508 1HG GLN 71 1HG GLN 71 15.607 6.050 -0.829
509 2HG GLN 71 2HG GLN 71 15.018 4.407 -0.591
510 1HE2 GLN 71 1HE2 GLN 71 14.021 5.830 2.097
511 2HE2 GLN 71 2HE2 GLN 71 12.475 6.411 1.600
512 H LYS 72 H LYS 72 19.326 3.093 1.322
513 HA LYS 72 HA LYS 72 19.573 4.002 4.111
514 1HB LYS 72 1HB LYS 72 19.031 1.657 4.020
515 2HB LYS 72 2HB LYS 72 20.335 1.355 2.880
516 1HG LYS 72 1HG LYS 72 21.967 1.974 4.605
517 2HG LYS 72 2HG LYS 72 20.645 2.233 5.745
518 1HD LYS 72 1HD LYS 72 19.997 -0.108 5.544
519 2HD LYS 72 2HD LYS 72 21.285 -0.375 4.367
520 1HE LYS 72 1HE LYS 72 21.956 -1.159 6.570
521 2HE LYS 72 2HE LYS 72 22.951 0.205 6.063
522 1HZ LYS 72 1HZ LYS 72 21.121 1.527 7.380
523 2HZ LYS 72 2HZ LYS 72 20.950 0.053 8.192
524 3HZ LYS 72 3HZ LYS 72 22.448 0.837 8.173
525 H THR 73 H THR 73 21.385 3.057 1.206
526 HA THR 73 HA THR 73 23.968 3.576 2.087
527 HB THR 73 HB THR 73 23.581 2.578 -0.095
528 HG1 THR 73 HG1 THR 73 25.393 4.278 0.396
529 1HG2 THR 73 1HG2 THR 73 21.868 4.882 -0.449
530 2HG2 THR 73 2HG2 THR 73 22.993 4.705 -1.795
531 3HG2 THR 73 3HG2 THR 73 21.923 3.373 -1.360
532 H ALA 74 H ALA 74 21.398 5.696 1.151
533 HA ALA 74 HA ALA 74 22.962 8.015 2.042
534 1HB ALA 74 1HB ALA 74 22.819 7.921 -0.474
535 2HB ALA 74 2HB ALA 74 22.158 9.383 0.261
536 3HB ALA 74 3HB ALA 74 21.074 8.114 -0.308
537 H HIS 75 H HIS 75 21.222 6.423 3.518
538 HA HIS 75 HA HIS 75 18.562 7.145 3.637
539 1HB HIS 75 1HB HIS 75 19.458 5.292 4.909
540 2HB HIS 75 2HB HIS 75 20.423 6.387 5.895
541 HD1 HIS 75 HD1 HIS 75 16.714 6.109 5.048
542 HD2 HIS 75 HD2 HIS 75 19.236 6.749 8.287
543 HE1 HIS 75 HE1 HIS 75 15.198 6.369 7.038
544 HE2 HIS 75 HE2 HIS 75 16.742 6.860 8.968
545 H GLU 76 H GLU 76 21.377 8.763 4.996
546 HA GLU 76 HA GLU 76 21.701 10.864 5.798
547 1HB GLU 76 1HB GLU 76 18.905 11.371 4.765
548 2HB GLU 76 2HB GLU 76 20.016 12.611 5.328
549 1HG GLU 76 1HG GLU 76 21.573 12.034 3.539
550 2HG GLU 76 2HG GLU 76 20.460 10.789 2.974
551 H THR 77 H THR 77 21.650 11.665 7.804
552 HA THR 77 HA THR 77 20.144 10.368 9.810
553 HB THR 77 HB THR 77 21.108 12.014 11.360
554 HG1 THR 77 HG1 THR 77 21.109 13.892 10.163
555 1HG2 THR 77 1HG2 THR 77 22.426 10.049 10.259
556 2HG2 THR 77 2HG2 THR 77 23.315 11.341 9.453
557 3HG2 THR 77 3HG2 THR 77 23.291 11.252 11.215
558 H ASP 78 H ASP 78 19.897 13.625 8.403
559 HA ASP 78 HA ASP 78 17.831 14.574 10.022
560 1HB ASP 78 1HB ASP 78 17.399 16.201 8.191
561 2HB ASP 78 2HB ASP 78 19.100 16.084 8.626
562 H LYS 79 H LYS 79 15.654 14.427 9.990
563 HA LYS 79 HA LYS 79 14.433 12.206 8.772
564 1HB LYS 79 1HB LYS 79 13.579 13.217 10.833
565 2HB LYS 79 2HB LYS 79 13.165 14.684 9.956
566 1HG LYS 79 1HG LYS 79 11.537 13.439 8.630
567 2HG LYS 79 2HG LYS 79 11.959 11.961 9.498
568 1HD LYS 79 1HD LYS 79 10.835 14.457 10.771
569 2HD LYS 79 2HD LYS 79 9.894 13.026 10.350
570 1HE LYS 79 1HE LYS 79 11.249 11.681 11.872
571 2HE LYS 79 2HE LYS 79 12.213 13.100 12.279
572 1HZ LYS 79 1HZ LYS 79 9.965 14.103 12.959
573 2HZ LYS 79 2HZ LYS 79 9.413 12.504 12.986
574 3HZ LYS 79 3HZ LYS 79 10.687 12.975 13.993
575 H SER 80 H SER 80 14.268 15.670 7.993
576 HA SER 80 HA SER 80 12.499 15.470 5.832
577 1HB SER 80 1HB SER 80 13.350 17.684 5.163
578 2HB SER 80 2HB SER 80 13.047 17.610 6.898
579 HG SER 80 HG SER 80 15.299 18.241 5.670
580 H1 ALA 1 H1 ALA 1 1.854 -19.744 6.098
581 H2 ALA 1 H2 ALA 1 2.027 -19.529 7.768
582 H3 ALA 1 H3 ALA 1 1.386 -20.973 7.161
583 HA ALA 1 HA ALA 1 -0.648 -20.127 6.802
584 1HB ALA 1 1HB ALA 1 0.476 -19.348 9.191
585 2HB ALA 1 2HB ALA 1 -0.251 -17.861 8.582
586 3HB ALA 1 3HB ALA 1 -1.241 -19.306 8.789
587 H ARG 2 H ARG 2 1.701 -17.476 6.722
588 HA ARG 2 HA ARG 2 0.046 -15.567 5.487
589 1HB ARG 2 1HB ARG 2 3.054 -15.862 5.360
590 2HB ARG 2 2HB ARG 2 2.156 -14.424 4.896
591 1HG ARG 2 1HG ARG 2 1.410 -14.104 7.166
592 2HG ARG 2 2HG ARG 2 2.175 -15.615 7.661
593 1HD ARG 2 1HD ARG 2 3.541 -13.686 8.273
594 2HD ARG 2 2HD ARG 2 4.363 -14.709 7.096
595 HE ARG 2 HE ARG 2 2.970 -12.670 5.749
596 1HH1 ARG 2 1HH1 ARG 2 5.745 -13.141 7.803
597 2HH1 ARG 2 2HH1 ARG 2 6.608 -11.780 7.169
598 1HH2 ARG 2 1HH2 ARG 2 4.100 -10.876 4.906
599 2HH2 ARG 2 2HH2 ARG 2 5.673 -10.492 5.522
600 H THR 3 H THR 3 -0.625 -15.319 3.448
601 HA THR 3 HA THR 3 -0.085 -17.336 1.498
602 HB THR 3 HB THR 3 -1.512 -15.981 0.000
603 HG1 THR 3 HG1 THR 3 -2.497 -14.085 1.011
604 1HG2 THR 3 1HG2 THR 3 -2.403 -17.552 1.812
605 2HG2 THR 3 2HG2 THR 3 -2.797 -16.090 2.717
606 3HG2 THR 3 3HG2 THR 3 -3.533 -16.376 1.140
607 H GLN 5 H GLN 5 1.735 -12.519 2.491
608 HA GLN 5 HA GLN 5 1.680 -10.431 3.397
609 1HB GLN 5 1HB GLN 5 3.128 -9.563 0.889
610 2HB GLN 5 2HB GLN 5 3.006 -8.654 2.389
611 1HG GLN 5 1HG GLN 5 4.323 -10.291 3.551
612 2HG GLN 5 2HG GLN 5 4.336 -11.340 2.134
613 1HE2 GLN 5 1HE2 GLN 5 6.120 -9.209 3.847
614 2HE2 GLN 5 2HE2 GLN 5 7.208 -8.673 2.617
615 H THR 6 H THR 6 0.102 -8.937 3.510
616 HA THR 6 HA THR 6 -1.260 -8.064 1.074
617 HB THR 6 HB THR 6 -3.484 -8.525 1.998
618 HG1 THR 6 HG1 THR 6 -2.291 -8.727 4.269
619 1HG2 THR 6 1HG2 THR 6 -1.760 -10.375 0.892
620 2HG2 THR 6 2HG2 THR 6 -2.417 -11.217 2.296
621 3HG2 THR 6 3HG2 THR 6 -3.504 -10.560 1.073
622 H ALA 7 H ALA 7 -2.096 -6.011 1.213
623 HA ALA 7 HA ALA 7 -1.838 -4.671 3.826
624 1HB ALA 7 1HB ALA 7 -1.451 -3.162 1.281
625 2HB ALA 7 2HB ALA 7 -0.131 -4.143 1.920
626 3HB ALA 7 3HB ALA 7 -0.810 -2.836 2.892
627 H ARG 8 H ARG 8 -4.178 -5.911 2.528
628 HA ARG 8 HA ARG 8 -6.364 -5.489 2.032
629 1HB ARG 8 1HB ARG 8 -5.838 -3.214 3.951
630 2HB ARG 8 2HB ARG 8 -7.427 -3.818 3.504
631 1HG ARG 8 1HG ARG 8 -6.934 -5.961 4.513
632 2HG ARG 8 2HG ARG 8 -5.295 -5.428 4.893
633 1HD ARG 8 1HD ARG 8 -6.218 -3.661 6.329
634 2HD ARG 8 2HD ARG 8 -7.847 -4.229 5.967
635 HE ARG 8 HE ARG 8 -6.111 -5.274 7.921
636 1HH1 ARG 8 1HH1 ARG 8 -8.388 -6.322 5.495
637 2HH1 ARG 8 2HH1 ARG 8 -8.783 -7.792 6.321
638 1HH2 ARG 8 1HH2 ARG 8 -6.629 -7.206 9.010
639 2HH2 ARG 8 2HH2 ARG 8 -7.786 -8.293 8.317
640 H SER 10 H SER 10 -7.485 0.976 0.408
641 HA SER 10 HA SER 10 -9.393 1.473 2.343
642 1HB SER 10 1HB SER 10 -9.762 3.629 1.210
643 2HB SER 10 2HB SER 10 -8.045 3.240 1.297
644 HG SER 10 HG SER 10 -9.128 3.974 -0.814
645 H THR 11 H THR 11 -11.451 0.979 2.522
646 HA THR 11 HA THR 11 -13.213 0.987 0.215
647 HB THR 11 HB THR 11 -14.168 -1.248 0.775
648 HG1 THR 11 HG1 THR 11 -12.013 -2.292 1.987
649 1HG2 THR 11 1HG2 THR 11 -12.442 -0.869 -1.040
650 2HG2 THR 11 2HG2 THR 11 -11.244 -1.494 0.093
651 3HG2 THR 11 3HG2 THR 11 -12.576 -2.520 -0.437
652 H GLY 12 H GLY 12 -13.122 -0.126 3.613
653 1HA GLY 12 1HA GLY 12 -14.581 1.911 4.750
654 2HA GLY 12 2HA GLY 12 -14.573 0.262 5.358
655 H GLY 13 H GLY 13 -16.554 2.664 4.493
656 1HA GLY 13 1HA GLY 13 -18.926 1.323 4.633
657 2HA GLY 13 2HA GLY 13 -18.502 1.246 2.928
658 H LYS 14 H LYS 14 -19.857 2.630 1.961
659 HA LYS 14 HA LYS 14 -19.489 5.396 2.153
660 1HB LYS 14 1HB LYS 14 -21.725 3.763 0.957
661 2HB LYS 14 2HB LYS 14 -21.664 5.515 0.838
662 1HG LYS 14 1HG LYS 14 -20.812 4.555 -1.186
663 2HG LYS 14 2HG LYS 14 -19.487 5.327 -0.316
664 1HD LYS 14 1HD LYS 14 -18.762 3.154 0.526
665 2HD LYS 14 2HD LYS 14 -20.108 2.373 -0.306
666 1HE LYS 14 1HE LYS 14 -19.214 3.119 -2.455
667 2HE LYS 14 2HE LYS 14 -17.875 3.913 -1.626
668 1HZ LYS 14 1HZ LYS 14 -18.173 1.139 -0.932
669 2HZ LYS 14 2HZ LYS 14 -17.850 1.381 -2.575
670 3HZ LYS 14 3HZ LYS 14 -16.791 1.993 -1.404
671 H ALA 15 H ALA 15 -20.498 7.003 3.233
672 HA ALA 15 HA ALA 15 -21.710 8.056 4.841
673 1HB ALA 15 1HB ALA 15 -23.530 6.431 3.425
674 2HB ALA 15 2HB ALA 15 -23.865 7.897 4.348
675 3HB ALA 15 3HB ALA 15 -23.955 6.319 5.133
676 HA PRO 16 HA PRO 16 -20.457 4.791 7.981
677 1HB PRO 16 1HB PRO 16 -18.153 6.407 8.643
678 2HB PRO 16 2HB PRO 16 -18.197 4.758 8.019
679 1HG PRO 16 1HG PRO 16 -17.271 6.908 6.597
680 2HG PRO 16 2HG PRO 16 -17.928 5.438 5.857
681 1HD PRO 16 1HD PRO 16 -19.233 8.094 6.285
682 2HD PRO 16 2HD PRO 16 -19.358 6.982 4.904
683 H GLY 17 H GLY 17 -22.306 6.995 8.181
684 1HA GLY 17 1HA GLY 17 -23.248 8.412 9.727
685 2HA GLY 17 2HA GLY 17 -21.626 8.727 10.324
686 H GLY 18 H GLY 18 -24.391 8.063 11.540
687 1HA GLY 18 1HA GLY 18 -25.133 7.036 13.454
688 2HA GLY 18 2HA GLY 18 -23.440 6.836 13.880
No H/Q in entry = 688
Start of MODEL 12
1 H1 HIS 8 H1 HIS 8 -7.545 -16.156 17.229
2 H2 HIS 8 H2 HIS 8 -6.084 -16.941 16.894
3 H3 HIS 8 H3 HIS 8 -6.479 -15.509 16.085
4 HA HIS 8 HA HIS 8 -8.068 -16.499 14.767
5 1HB HIS 8 1HB HIS 8 -5.883 -18.539 15.251
6 2HB HIS 8 2HB HIS 8 -6.939 -18.514 13.844
7 HD1 HIS 8 HD1 HIS 8 -4.679 -15.948 15.540
8 HD2 HIS 8 HD2 HIS 8 -5.671 -17.371 11.764
9 HE1 HIS 8 HE1 HIS 8 -3.261 -14.634 13.931
10 HE2 HIS 8 HE2 HIS 8 -3.940 -15.455 11.648
11 H MET 9 H MET 9 -9.227 -16.800 17.254
12 HA MET 9 HA MET 9 -9.793 -19.506 17.903
13 1HB MET 9 1HB MET 9 -11.602 -18.539 19.307
14 2HB MET 9 2HB MET 9 -10.032 -17.798 19.584
15 1HG MET 9 1HG MET 9 -10.672 -15.894 18.214
16 2HG MET 9 2HG MET 9 -12.235 -16.641 17.891
17 1HE MET 9 1HE MET 9 -10.159 -16.659 21.149
18 2HE MET 9 2HE MET 9 -9.971 -14.953 20.746
19 3HE MET 9 3HE MET 9 -10.932 -15.427 22.147
20 H VAL 10 H VAL 10 -12.775 -18.838 18.140
21 HA VAL 10 HA VAL 10 -13.524 -20.097 15.662
22 HB VAL 10 HB VAL 10 -14.543 -20.733 17.828
23 1HG1 VAL 10 1HG1 VAL 10 -15.188 -17.891 17.888
24 2HG1 VAL 10 2HG1 VAL 10 -16.559 -18.934 18.267
25 3HG1 VAL 10 3HG1 VAL 10 -15.069 -19.060 19.203
26 1HG2 VAL 10 1HG2 VAL 10 -16.030 -20.044 15.401
27 2HG2 VAL 10 2HG2 VAL 10 -15.973 -21.554 16.311
28 3HG2 VAL 10 3HG2 VAL 10 -17.031 -20.246 16.839
29 H GLU 11 H GLU 11 -12.450 -17.593 15.133
30 HA GLU 11 HA GLU 11 -14.444 -15.581 14.857
31 1HB GLU 11 1HB GLU 11 -11.784 -15.907 13.458
32 2HB GLU 11 2HB GLU 11 -12.784 -14.463 13.389
33 1HG GLU 11 1HG GLU 11 -11.554 -15.628 15.878
34 2HG GLU 11 2HG GLU 11 -10.952 -14.233 14.983
35 H GLU 12 H GLU 12 -15.940 -15.296 13.326
36 HA GLU 12 HA GLU 12 -16.175 -17.253 11.211
37 1HB GLU 12 1HB GLU 12 -18.323 -16.135 10.734
38 2HB GLU 12 2HB GLU 12 -18.175 -16.598 12.425
39 1HG GLU 12 1HG GLU 12 -17.609 -14.303 13.013
40 2HG GLU 12 2HG GLU 12 -17.728 -13.833 11.319
41 H VAL 13 H VAL 13 -17.575 -15.353 9.424
42 HA VAL 13 HA VAL 13 -15.250 -14.497 7.927
43 HB VAL 13 HB VAL 13 -18.154 -14.149 7.173
44 1HG1 VAL 13 1HG1 VAL 13 -15.588 -13.647 5.846
45 2HG1 VAL 13 2HG1 VAL 13 -16.758 -14.540 4.873
46 3HG1 VAL 13 3HG1 VAL 13 -17.183 -12.961 5.535
47 1HG2 VAL 13 1HG2 VAL 13 -17.220 -16.551 7.719
48 2HG2 VAL 13 2HG2 VAL 13 -18.257 -16.271 6.320
49 3HG2 VAL 13 3HG2 VAL 13 -16.509 -16.390 6.113
50 H LEU 14 H LEU 14 -15.146 -13.012 10.101
51 HA LEU 14 HA LEU 14 -16.634 -10.563 9.888
52 1HB LEU 14 1HB LEU 14 -14.245 -11.265 11.596
53 2HB LEU 14 2HB LEU 14 -15.208 -9.809 11.756
54 HG LEU 14 HG LEU 14 -16.217 -12.622 12.200
55 1HD1 LEU 14 1HD1 LEU 14 -14.571 -11.633 13.880
56 2HD1 LEU 14 2HD1 LEU 14 -15.852 -10.486 14.274
57 3HD1 LEU 14 3HD1 LEU 14 -16.116 -12.215 14.502
58 1HD2 LEU 14 1HD2 LEU 14 -17.625 -10.274 11.582
59 2HD2 LEU 14 2HD2 LEU 14 -18.279 -11.800 12.175
60 3HD2 LEU 14 3HD2 LEU 14 -17.832 -10.531 13.316
61 H GLU 15 H GLU 15 -15.390 -10.955 7.478
62 HA GLU 15 HA GLU 15 -12.862 -9.797 7.162
63 1HB GLU 15 1HB GLU 15 -15.177 -9.796 5.216
64 2HB GLU 15 2HB GLU 15 -13.497 -9.482 4.809
65 1HG GLU 15 1HG GLU 15 -12.905 -11.753 5.487
66 2HG GLU 15 2HG GLU 15 -14.592 -12.067 5.894
67 H GLU 16 H GLU 16 -16.069 -8.373 7.330
68 HA GLU 16 HA GLU 16 -16.799 -6.238 7.587
69 1HB GLU 16 1HB GLU 16 -13.926 -5.701 8.366
70 2HB GLU 16 2HB GLU 16 -15.273 -4.600 8.624
71 1HG GLU 16 1HG GLU 16 -16.326 -6.232 10.105
72 2HG GLU 16 2HG GLU 16 -14.976 -7.337 9.843
73 H GLU 17 H GLU 17 -16.107 -7.074 5.023
74 HA GLU 17 HA GLU 17 -16.020 -6.215 2.923
75 1HB GLU 17 1HB GLU 17 -17.194 -4.249 3.794
76 2HB GLU 17 2HB GLU 17 -15.661 -3.546 4.293
77 1HG GLU 17 1HG GLU 17 -16.376 -2.513 2.257
78 2HG GLU 17 2HG GLU 17 -14.952 -3.499 1.932
79 H GLU 18 H GLU 18 -13.574 -4.780 5.080
80 HA GLU 18 HA GLU 18 -11.631 -4.364 3.096
81 1HB GLU 18 1HB GLU 18 -11.275 -4.826 6.035
82 2HB GLU 18 2HB GLU 18 -10.041 -4.196 4.963
83 1HG GLU 18 1HG GLU 18 -11.436 -2.244 4.508
84 2HG GLU 18 2HG GLU 18 -12.675 -2.880 5.588
85 H GLU 19 H GLU 19 -10.506 -5.785 1.958
86 HA GLU 19 HA GLU 19 -10.080 -8.468 3.086
87 1HB GLU 19 1HB GLU 19 -11.571 -8.338 1.089
88 2HB GLU 19 2HB GLU 19 -10.220 -7.695 0.172
89 1HG GLU 19 1HG GLU 19 -8.963 -9.754 0.569
90 2HG GLU 19 2HG GLU 19 -10.329 -10.405 1.475
91 H GLU 20 H GLU 20 -8.059 -9.374 2.979
92 HA GLU 20 HA GLU 20 -5.848 -7.571 2.772
93 1HB GLU 20 1HB GLU 20 -5.899 -10.570 3.149
94 2HB GLU 20 2HB GLU 20 -4.478 -9.550 3.324
95 1HG GLU 20 1HG GLU 20 -5.543 -8.373 5.177
96 2HG GLU 20 2HG GLU 20 -6.972 -9.388 5.000
97 H TYR 21 H TYR 21 -6.286 -6.997 0.470
98 HA TYR 21 HA TYR 21 -5.980 -8.818 -1.640
99 1HB TYR 21 1HB TYR 21 -5.577 -5.845 -1.429
100 2HB TYR 21 2HB TYR 21 -5.232 -6.700 -2.928
101 HD1 TYR 21 HD1 TYR 21 -8.015 -6.768 -0.410
102 HD2 TYR 21 HD2 TYR 21 -6.877 -6.448 -4.496
103 HE1 TYR 21 HE1 TYR 21 -10.383 -6.602 -1.053
104 HE2 TYR 21 HE2 TYR 21 -9.241 -6.280 -5.149
105 HH TYR 21 HH TYR 21 -11.588 -7.191 -3.815
106 H VAL 22 H VAL 22 -4.257 -9.643 -2.693
107 HA VAL 22 HA VAL 22 -1.756 -9.785 -1.414
108 HB VAL 22 HB VAL 22 -2.392 -10.389 -4.308
109 1HG1 VAL 22 1HG1 VAL 22 0.064 -10.419 -2.877
110 2HG1 VAL 22 2HG1 VAL 22 -0.392 -12.085 -3.236
111 3HG1 VAL 22 3HG1 VAL 22 -0.249 -10.910 -4.543
112 1HG2 VAL 22 1HG2 VAL 22 -3.213 -11.677 -1.881
113 2HG2 VAL 22 2HG2 VAL 22 -3.619 -12.077 -3.551
114 3HG2 VAL 22 3HG2 VAL 22 -2.167 -12.752 -2.811
115 H VAL 23 H VAL 23 0.116 -8.662 -1.649
116 HA VAL 23 HA VAL 23 0.172 -6.514 -3.667
117 HB VAL 23 HB VAL 23 1.330 -6.261 -0.893
118 1HG1 VAL 23 1HG1 VAL 23 1.321 -4.604 -3.318
119 2HG1 VAL 23 2HG1 VAL 23 0.931 -3.740 -1.828
120 3HG1 VAL 23 3HG1 VAL 23 2.449 -4.630 -1.964
121 1HG2 VAL 23 1HG2 VAL 23 -1.354 -5.452 -1.961
122 2HG2 VAL 23 2HG2 VAL 23 -0.969 -6.334 -0.482
123 3HG2 VAL 23 3HG2 VAL 23 -0.608 -4.613 -0.601
124 H GLU 24 H GLU 24 1.941 -6.468 -4.898
125 HA GLU 24 HA GLU 24 3.934 -8.485 -4.630
126 1HB GLU 24 1HB GLU 24 3.207 -7.691 -6.822
127 2HB GLU 24 2HB GLU 24 3.809 -6.079 -6.455
128 1HG GLU 24 1HG GLU 24 6.086 -6.956 -6.334
129 2HG GLU 24 2HG GLU 24 5.480 -8.569 -6.709
130 H LYS 25 H LYS 25 4.084 -4.926 -4.432
131 HA LYS 25 HA LYS 25 5.845 -4.858 -2.244
132 1HB LYS 25 1HB LYS 25 7.490 -5.788 -3.783
133 2HB LYS 25 2HB LYS 25 7.154 -4.518 -4.951
134 1HG LYS 25 1HG LYS 25 7.992 -2.856 -3.321
135 2HG LYS 25 2HG LYS 25 8.421 -4.184 -2.241
136 1HD LYS 25 1HD LYS 25 9.928 -5.087 -3.935
137 2HD LYS 25 2HD LYS 25 9.481 -3.784 -5.038
138 1HE LYS 25 1HE LYS 25 11.610 -3.306 -3.963
139 2HE LYS 25 2HE LYS 25 10.382 -2.144 -3.460
140 1HZ LYS 25 1HZ LYS 25 10.502 -4.417 -1.730
141 2HZ LYS 25 2HZ LYS 25 11.985 -3.607 -1.810
142 3HZ LYS 25 3HZ LYS 25 10.587 -2.772 -1.352
143 H VAL 26 H VAL 26 5.892 -2.808 -1.411
144 HA VAL 26 HA VAL 26 4.236 -0.835 -2.590
145 HB VAL 26 HB VAL 26 4.554 0.447 -0.712
146 1HG1 VAL 26 1HG1 VAL 26 4.798 -2.395 -0.204
147 2HG1 VAL 26 2HG1 VAL 26 5.428 -1.410 1.117
148 3HG1 VAL 26 3HG1 VAL 26 3.768 -1.186 0.563
149 1HG2 VAL 26 1HG2 VAL 26 7.384 -0.476 -0.765
150 2HG2 VAL 26 2HG2 VAL 26 6.727 1.163 -0.763
151 3HG2 VAL 26 3HG2 VAL 26 6.698 0.198 0.714
152 H LEU 27 H LEU 27 4.695 0.769 -3.991
153 HA LEU 27 HA LEU 27 7.336 0.853 -5.136
154 1HB LEU 27 1HB LEU 27 4.891 2.487 -5.795
155 2HB LEU 27 2HB LEU 27 6.367 2.436 -6.736
156 HG LEU 27 HG LEU 27 4.492 0.114 -6.285
157 1HD1 LEU 27 1HD1 LEU 27 4.595 2.241 -8.265
158 2HD1 LEU 27 2HD1 LEU 27 4.644 0.629 -8.982
159 3HD1 LEU 27 3HD1 LEU 27 3.316 1.079 -7.912
160 1HD2 LEU 27 1HD2 LEU 27 7.032 0.350 -7.890
161 2HD2 LEU 27 2HD2 LEU 27 6.742 -0.696 -6.501
162 3HD2 LEU 27 3HD2 LEU 27 5.891 -0.989 -8.018
163 H ASP 28 H ASP 28 5.210 3.213 -3.461
164 HA ASP 28 HA ASP 28 7.648 4.550 -2.536
165 1HB ASP 28 1HB ASP 28 5.484 5.979 -4.082
166 2HB ASP 28 2HB ASP 28 6.752 6.792 -3.173
167 H ARG 29 H ARG 29 6.335 6.892 -1.584
168 HA ARG 29 HA ARG 29 4.127 6.268 0.100
169 1HB ARG 29 1HB ARG 29 5.265 6.348 2.261
170 2HB ARG 29 2HB ARG 29 5.857 4.994 1.306
171 1HG ARG 29 1HG ARG 29 7.842 6.258 0.710
172 2HG ARG 29 2HG ARG 29 7.246 7.648 1.615
173 1HD ARG 29 1HD ARG 29 7.337 6.377 3.680
174 2HD ARG 29 2HD ARG 29 7.846 4.939 2.797
175 HE ARG 29 HE ARG 29 9.971 5.725 2.948
176 1HH1 ARG 29 1HH1 ARG 29 7.811 8.463 3.086
177 2HH1 ARG 29 2HH1 ARG 29 9.090 9.620 3.245
178 1HH2 ARG 29 1HH2 ARG 29 11.652 7.246 3.157
179 2HH2 ARG 29 2HH2 ARG 29 11.269 8.931 3.283
180 H ARG 30 H ARG 30 3.168 8.143 0.741
181 HA ARG 30 HA ARG 30 4.712 10.545 1.142
182 1HB ARG 30 1HB ARG 30 3.699 11.889 -0.575
183 2HB ARG 30 2HB ARG 30 4.442 10.483 -1.323
184 1HG ARG 30 1HG ARG 30 2.263 9.414 -1.513
185 2HG ARG 30 2HG ARG 30 1.507 10.802 -0.729
186 1HD ARG 30 1HD ARG 30 2.215 12.242 -2.556
187 2HD ARG 30 2HD ARG 30 3.038 10.887 -3.328
188 HE ARG 30 HE ARG 30 0.361 10.183 -2.955
189 1HH1 ARG 30 1HH1 ARG 30 2.255 12.459 -4.796
190 2HH1 ARG 30 2HH1 ARG 30 1.130 12.526 -6.110
191 1HH2 ARG 30 1HH2 ARG 30 -1.122 10.267 -4.683
192 2HH2 ARG 30 2HH2 ARG 30 -0.787 11.282 -6.046
193 H VAL 31 H VAL 31 3.680 12.071 2.359
194 HA VAL 31 HA VAL 31 1.030 11.321 3.378
195 HB VAL 31 HB VAL 31 3.107 13.187 4.544
196 1HG1 VAL 31 1HG1 VAL 31 0.261 12.734 5.186
197 2HG1 VAL 31 2HG1 VAL 31 1.371 12.763 6.557
198 3HG1 VAL 31 3HG1 VAL 31 1.279 14.148 5.468
199 1HG2 VAL 31 1HG2 VAL 31 3.392 10.612 4.591
200 2HG2 VAL 31 2HG2 VAL 31 3.618 11.529 6.082
201 3HG2 VAL 31 3HG2 VAL 31 2.108 10.664 5.800
202 H VAL 32 H VAL 32 -0.704 12.703 3.253
203 HA VAL 32 HA VAL 32 -0.251 15.277 1.887
204 HB VAL 32 HB VAL 32 -2.593 13.431 1.399
205 1HG1 VAL 32 1HG1 VAL 32 -2.127 16.217 0.835
206 2HG1 VAL 32 2HG1 VAL 32 -2.359 15.305 -0.656
207 3HG1 VAL 32 3HG1 VAL 32 -3.588 15.255 0.609
208 1HG2 VAL 32 1HG2 VAL 32 0.045 13.652 0.117
209 2HG2 VAL 32 2HG2 VAL 32 -1.091 12.303 0.159
210 3HG2 VAL 32 3HG2 VAL 32 -1.332 13.623 -0.986
211 H LYS 33 H LYS 33 -3.229 13.749 3.022
212 HA LYS 33 HA LYS 33 -3.881 16.124 4.555
213 1HB LYS 33 1HB LYS 33 -5.468 13.560 4.311
214 2HB LYS 33 2HB LYS 33 -6.059 15.130 4.839
215 1HG LYS 33 1HG LYS 33 -5.662 16.023 2.587
216 2HG LYS 33 2HG LYS 33 -5.106 14.431 2.070
217 1HD LYS 33 1HD LYS 33 -7.376 14.663 1.373
218 2HD LYS 33 2HD LYS 33 -7.347 13.527 2.721
219 1HE LYS 33 1HE LYS 33 -7.999 16.460 2.982
220 2HE LYS 33 2HE LYS 33 -9.206 15.188 2.814
221 1HZ LYS 33 1HZ LYS 33 -7.921 14.207 4.854
222 2HZ LYS 33 2HZ LYS 33 -7.477 15.821 5.092
223 3HZ LYS 33 3HZ LYS 33 -9.112 15.389 5.068
224 H GLY 34 H GLY 34 -1.626 14.836 5.547
225 1HA GLY 34 1HA GLY 34 -2.511 14.221 8.238
226 2HA GLY 34 2HA GLY 34 -0.846 14.395 7.698
227 H LYS 35 H LYS 35 -3.001 12.368 5.928
228 HA LYS 35 HA LYS 35 -2.422 9.934 7.299
229 1HB LYS 35 1HB LYS 35 -3.543 8.898 5.326
230 2HB LYS 35 2HB LYS 35 -4.504 10.127 6.134
231 1HG LYS 35 1HG LYS 35 -3.876 11.745 4.418
232 2HG LYS 35 2HG LYS 35 -2.915 10.509 3.606
233 1HD LYS 35 1HD LYS 35 -5.114 10.799 2.554
234 2HD LYS 35 2HD LYS 35 -4.913 9.178 3.225
235 1HE LYS 35 1HE LYS 35 -6.212 9.806 5.181
236 2HE LYS 35 2HE LYS 35 -6.366 11.453 4.573
237 1HZ LYS 35 1HZ LYS 35 -7.275 9.296 2.828
238 2HZ LYS 35 2HZ LYS 35 -8.220 9.625 4.191
239 3HZ LYS 35 3HZ LYS 35 -7.918 10.844 3.058
240 H VAL 36 H VAL 36 -1.034 8.311 6.733
241 HA VAL 36 HA VAL 36 1.124 9.061 4.895
242 HB VAL 36 HB VAL 36 1.149 6.690 6.748
243 1HG1 VAL 36 1HG1 VAL 36 2.838 7.029 4.864
244 2HG1 VAL 36 2HG1 VAL 36 3.467 8.362 5.833
245 3HG1 VAL 36 3HG1 VAL 36 3.472 6.721 6.480
246 1HG2 VAL 36 1HG2 VAL 36 0.942 9.369 7.570
247 2HG2 VAL 36 2HG2 VAL 36 1.335 7.960 8.556
248 3HG2 VAL 36 3HG2 VAL 36 2.626 8.902 7.808
249 H GLU 37 H GLU 37 -0.081 8.562 2.962
250 HA GLU 37 HA GLU 37 -0.940 5.816 2.581
251 1HB GLU 37 1HB GLU 37 -1.709 6.591 0.377
252 2HB GLU 37 2HB GLU 37 -2.334 7.588 1.682
253 1HG GLU 37 1HG GLU 37 -0.564 9.241 1.207
254 2HG GLU 37 2HG GLU 37 -0.063 8.262 -0.170
255 H TYR 38 H TYR 38 0.209 4.274 1.695
256 HA TYR 38 HA TYR 38 2.789 4.935 0.462
257 1HB TYR 38 1HB TYR 38 1.752 2.540 1.916
258 2HB TYR 38 2HB TYR 38 3.038 2.327 0.733
259 HD1 TYR 38 HD1 TYR 38 5.131 2.207 1.640
260 HD2 TYR 38 HD2 TYR 38 2.269 4.765 3.472
261 HE1 TYR 38 HE1 TYR 38 6.805 2.867 3.313
262 HE2 TYR 38 HE2 TYR 38 3.932 5.430 5.151
263 HH TYR 38 HH TYR 38 6.137 4.224 6.141
264 H LEU 39 H LEU 39 3.387 4.161 -1.506
265 HA LEU 39 HA LEU 39 1.222 3.490 -3.307
266 1HB LEU 39 1HB LEU 39 2.883 5.152 -3.977
267 2HB LEU 39 2HB LEU 39 4.167 3.977 -3.782
268 HG LEU 39 HG LEU 39 3.447 2.736 -5.675
269 1HD1 LEU 39 1HD1 LEU 39 1.052 2.908 -5.187
270 2HD1 LEU 39 2HD1 LEU 39 1.064 4.547 -5.833
271 3HD1 LEU 39 3HD1 LEU 39 1.436 3.182 -6.887
272 1HD2 LEU 39 1HD2 LEU 39 4.636 4.971 -6.012
273 2HD2 LEU 39 2HD2 LEU 39 3.837 4.253 -7.410
274 3HD2 LEU 39 3HD2 LEU 39 3.067 5.579 -6.540
275 H LEU 40 H LEU 40 0.888 1.489 -4.235
276 HA LEU 40 HA LEU 40 2.920 -0.585 -3.985
277 1HB LEU 40 1HB LEU 40 0.159 -0.989 -2.833
278 2HB LEU 40 2HB LEU 40 1.419 -2.199 -2.934
279 HG LEU 40 HG LEU 40 2.750 -0.501 -1.427
280 1HD1 LEU 40 1HD1 LEU 40 0.523 0.975 -1.726
281 2HD1 LEU 40 2HD1 LEU 40 0.131 0.097 -0.248
282 3HD1 LEU 40 3HD1 LEU 40 1.595 1.079 -0.329
283 1HD2 LEU 40 1HD2 LEU 40 2.045 -2.793 -0.814
284 2HD2 LEU 40 2HD2 LEU 40 1.952 -1.660 0.534
285 3HD2 LEU 40 3HD2 LEU 40 0.483 -2.146 -0.311
286 H LYS 41 H LYS 41 2.766 -2.168 -5.523
287 HA LYS 41 HA LYS 41 0.864 -1.714 -7.667
288 1HB LYS 41 1HB LYS 41 3.222 -2.232 -8.194
289 2HB LYS 41 2HB LYS 41 3.048 -3.794 -7.406
290 1HG LYS 41 1HG LYS 41 1.332 -4.411 -9.061
291 2HG LYS 41 2HG LYS 41 1.592 -2.866 -9.872
292 1HD LYS 41 1HD LYS 41 3.933 -3.475 -10.269
293 2HD LYS 41 2HD LYS 41 3.662 -5.020 -9.461
294 1HE LYS 41 1HE LYS 41 2.283 -4.069 -11.969
295 2HE LYS 41 2HE LYS 41 3.585 -5.256 -11.893
296 1HZ LYS 41 1HZ LYS 41 1.961 -6.463 -10.293
297 2HZ LYS 41 2HZ LYS 41 0.780 -5.522 -11.055
298 3HZ LYS 41 3HZ LYS 41 1.733 -6.584 -11.965
299 H TRP 42 H TRP 42 -0.821 -3.095 -8.224
300 HA TRP 42 HA TRP 42 -1.300 -5.301 -6.328
301 1HB TRP 42 1HB TRP 42 -3.517 -3.785 -7.699
302 2HB TRP 42 2HB TRP 42 -3.607 -4.813 -6.272
303 HD1 TRP 42 HD1 TRP 42 -2.498 -1.304 -7.360
304 HE1 TRP 42 HE1 TRP 42 -2.310 0.187 -5.274
305 HE3 TRP 42 HE3 TRP 42 -3.260 -4.846 -3.741
306 HZ2 TRP 42 HZ2 TRP 42 -2.456 -0.091 -2.477
307 HZ3 TRP 42 HZ3 TRP 42 -3.215 -4.143 -1.384
308 HH2 TRP 42 HH2 TRP 42 -2.818 -1.812 -0.764
309 H LYS 43 H LYS 43 -1.764 -7.256 -7.106
310 HA LYS 43 HA LYS 43 -1.153 -7.950 -9.732
311 1HB LYS 43 1HB LYS 43 -2.027 -10.167 -9.180
312 2HB LYS 43 2HB LYS 43 -1.037 -9.530 -7.873
313 1HG LYS 43 1HG LYS 43 -3.044 -8.910 -6.639
314 2HG LYS 43 2HG LYS 43 -4.046 -9.524 -7.953
315 1HD LYS 43 1HD LYS 43 -2.075 -11.204 -6.411
316 2HD LYS 43 2HD LYS 43 -3.788 -11.085 -6.014
317 1HE LYS 43 1HE LYS 43 -3.464 -13.068 -7.310
318 2HE LYS 43 2HE LYS 43 -4.308 -11.891 -8.314
319 1HZ LYS 43 1HZ LYS 43 -1.400 -11.917 -8.489
320 2HZ LYS 43 2HZ LYS 43 -2.207 -13.246 -9.154
321 3HZ LYS 43 3HZ LYS 43 -2.555 -11.685 -9.702
322 H GLY 44 H GLY 44 -2.379 -8.630 -11.485
323 1HA GLY 44 1HA GLY 44 -5.254 -8.464 -11.457
324 2HA GLY 44 2HA GLY 44 -4.244 -8.849 -12.840
325 H PHE 45 H PHE 45 -4.430 -5.992 -10.724
326 HA PHE 45 HA PHE 45 -5.613 -4.364 -12.741
327 1HB PHE 45 1HB PHE 45 -4.288 -3.668 -10.116
328 2HB PHE 45 2HB PHE 45 -5.053 -2.479 -11.163
329 HD1 PHE 45 HD1 PHE 45 -7.001 -1.756 -10.202
330 HD2 PHE 45 HD2 PHE 45 -6.070 -5.906 -10.061
331 HE1 PHE 45 HE1 PHE 45 -9.172 -2.203 -9.135
332 HE2 PHE 45 HE2 PHE 45 -8.241 -6.360 -8.995
333 HZ PHE 45 HZ PHE 45 -9.795 -4.508 -8.532
334 H SER 46 H SER 46 -4.714 -2.894 -14.105
335 HA SER 46 HA SER 46 -2.226 -3.337 -15.199
336 1HB SER 46 1HB SER 46 -3.798 -0.749 -15.194
337 2HB SER 46 2HB SER 46 -2.483 -1.141 -16.301
338 HG SER 46 HG SER 46 -5.081 -2.186 -16.170
339 H ASP 47 H ASP 47 -0.216 -2.341 -15.062
340 HA ASP 47 HA ASP 47 0.745 -1.718 -12.533
341 1HB ASP 47 1HB ASP 47 1.909 -0.913 -15.210
342 2HB ASP 47 2HB ASP 47 2.779 -0.923 -13.679
343 H GLU 48 H GLU 48 -0.319 0.429 -15.128
344 HA GLU 48 HA GLU 48 0.434 2.858 -13.947
345 1HB GLU 48 1HB GLU 48 -1.783 2.236 -15.901
346 2HB GLU 48 2HB GLU 48 -1.234 3.854 -15.500
347 1HG GLU 48 1HG GLU 48 0.498 1.714 -16.710
348 2HG GLU 48 2HG GLU 48 -0.314 2.987 -17.621
349 H ASP 49 H ASP 49 -2.143 0.698 -13.243
350 HA ASP 49 HA ASP 49 -3.905 2.614 -12.059
351 1HB ASP 49 1HB ASP 49 -4.653 0.422 -12.988
352 2HB ASP 49 2HB ASP 49 -3.842 -0.380 -11.647
353 H ASN 50 H ASN 50 -1.377 3.038 -10.984
354 HA ASN 50 HA ASN 50 -0.823 1.761 -8.564
355 1HB ASN 50 1HB ASN 50 -0.259 4.563 -9.529
356 2HB ASN 50 2HB ASN 50 0.294 3.983 -7.963
357 1HD2 ASN 50 1HD2 ASN 50 0.389 1.277 -9.647
358 2HD2 ASN 50 2HD2 ASN 50 1.977 1.357 -10.318
359 H THR 51 H THR 51 -1.436 2.118 -6.443
360 HA THR 51 HA THR 51 -3.410 4.198 -5.888
361 HB THR 51 HB THR 51 -3.941 1.277 -5.303
362 HG1 THR 51 HG1 THR 51 -4.547 2.866 -7.419
363 1HG2 THR 51 1HG2 THR 51 -4.735 2.918 -3.569
364 2HG2 THR 51 2HG2 THR 51 -5.749 3.642 -4.816
365 3HG2 THR 51 3HG2 THR 51 -6.010 1.967 -4.329
366 H TRP 52 H TRP 52 -2.670 5.233 -4.176
367 HA TRP 52 HA TRP 52 -0.873 3.965 -2.296
368 1HB TRP 52 1HB TRP 52 -1.969 6.782 -2.291
369 2HB TRP 52 2HB TRP 52 -0.588 6.180 -1.392
370 HD1 TRP 52 HD1 TRP 52 -1.492 6.154 -5.188
371 HE1 TRP 52 HE1 TRP 52 0.607 6.893 -6.484
372 HE3 TRP 52 HE3 TRP 52 1.661 6.910 -1.253
373 HZ2 TRP 52 HZ2 TRP 52 3.245 7.712 -5.908
374 HZ3 TRP 52 HZ3 TRP 52 3.946 7.663 -1.703
375 HH2 TRP 52 HH2 TRP 52 4.730 8.058 -3.982
376 H GLU 53 H GLU 53 -1.632 2.894 -0.570
377 HA GLU 53 HA GLU 53 -4.279 3.634 0.470
378 1HB GLU 53 1HB GLU 53 -2.769 1.056 0.905
379 2HB GLU 53 2HB GLU 53 -4.428 1.396 1.381
380 1HG GLU 53 1HG GLU 53 -3.354 1.141 -1.416
381 2HG GLU 53 2HG GLU 53 -4.435 0.030 -0.581
382 HA PRO 54 HA PRO 54 -2.682 5.364 4.189
383 1HB PRO 54 1HB PRO 54 -4.516 4.107 5.924
384 2HB PRO 54 2HB PRO 54 -4.681 5.703 5.193
385 1HG PRO 54 1HG PRO 54 -5.871 3.109 4.365
386 2HG PRO 54 2HG PRO 54 -6.510 4.753 4.190
387 1HD PRO 54 1HD PRO 54 -5.510 3.389 2.102
388 2HD PRO 54 2HD PRO 54 -5.308 5.147 2.252
389 H GLU 55 H GLU 55 -1.058 4.774 5.447
390 HA GLU 55 HA GLU 55 0.039 2.226 5.447
391 1HB GLU 55 1HB GLU 55 1.370 4.187 5.919
392 2HB GLU 55 2HB GLU 55 0.453 4.512 7.383
393 1HG GLU 55 1HG GLU 55 2.632 3.537 7.867
394 2HG GLU 55 2HG GLU 55 1.318 2.491 8.401
395 H GLU 56 H GLU 56 -2.234 3.678 7.695
396 HA GLU 56 HA GLU 56 -2.015 1.964 9.852
397 1HB GLU 56 1HB GLU 56 -4.534 3.199 8.727
398 2HB GLU 56 2HB GLU 56 -4.367 2.524 10.342
399 1HG GLU 56 1HG GLU 56 -2.675 4.206 10.870
400 2HG GLU 56 2HG GLU 56 -2.847 4.883 9.252
401 H ASN 57 H ASN 57 -4.051 1.554 6.959
402 HA ASN 57 HA ASN 57 -5.079 -0.974 7.785
403 1HB ASN 57 1HB ASN 57 -5.045 0.390 5.090
404 2HB ASN 57 2HB ASN 57 -5.881 -1.126 5.412
405 1HD2 ASN 57 1HD2 ASN 57 -6.353 2.046 5.065
406 2HD2 ASN 57 2HD2 ASN 57 -7.746 2.272 6.062
407 H LEU 58 H LEU 58 -2.383 0.036 5.765
408 HA LEU 58 HA LEU 58 -1.753 -2.270 4.435
409 1HB LEU 58 1HB LEU 58 0.279 -0.476 5.753
410 2HB LEU 58 2HB LEU 58 0.537 -1.515 4.365
411 HG LEU 58 HG LEU 58 -1.084 1.020 4.488
412 1HD1 LEU 58 1HD1 LEU 58 1.577 0.586 3.967
413 2HD1 LEU 58 2HD1 LEU 58 0.857 0.657 2.358
414 3HD1 LEU 58 3HD1 LEU 58 0.640 2.001 3.480
415 1HD2 LEU 58 1HD2 LEU 58 -1.746 -1.205 2.970
416 2HD2 LEU 58 2HD2 LEU 58 -2.270 0.456 2.697
417 3HD2 LEU 58 3HD2 LEU 58 -0.848 -0.167 1.862
418 H ASP 59 H ASP 59 -0.715 -4.155 4.837
419 HA ASP 59 HA ASP 59 0.171 -4.696 7.586
420 1HB ASP 59 1HB ASP 59 -2.124 -5.622 7.220
421 2HB ASP 59 2HB ASP 59 -1.479 -6.606 5.906
422 H CYS 60 H CYS 60 1.932 -3.988 5.690
423 HA CYS 60 HA CYS 60 3.233 -6.530 4.967
424 1HB CYS 60 1HB CYS 60 3.271 -3.956 3.378
425 2HB CYS 60 2HB CYS 60 4.146 -5.427 2.967
426 HG CYS 60 HG CYS 60 1.079 -4.564 2.196
427 HA PRO 61 HA PRO 61 5.865 -3.826 7.843
428 1HB PRO 61 1HB PRO 61 6.777 -6.083 9.196
429 2HB PRO 61 2HB PRO 61 5.484 -5.012 9.741
430 1HG PRO 61 1HG PRO 61 5.306 -7.632 8.322
431 2HG PRO 61 2HG PRO 61 4.277 -6.979 9.611
432 1HD PRO 61 1HD PRO 61 3.462 -7.004 7.061
433 2HD PRO 61 2HD PRO 61 3.068 -5.648 8.140
434 H ASP 62 H ASP 62 6.554 -7.041 6.466
435 HA ASP 62 HA ASP 62 9.352 -6.652 6.308
436 1HB ASP 62 1HB ASP 62 7.528 -8.574 4.859
437 2HB ASP 62 2HB ASP 62 9.285 -8.614 4.737
438 H LEU 63 H LEU 63 6.754 -6.261 3.903
439 HA LEU 63 HA LEU 63 8.423 -5.656 1.728
440 1HB LEU 63 1HB LEU 63 5.603 -4.717 2.241
441 2HB LEU 63 2HB LEU 63 6.432 -4.652 0.699
442 HG LEU 63 HG LEU 63 5.551 -7.121 2.188
443 1HD1 LEU 63 1HD1 LEU 63 3.891 -5.771 0.860
444 2HD1 LEU 63 2HD1 LEU 63 4.835 -6.178 -0.573
445 3HD1 LEU 63 3HD1 LEU 63 4.072 -7.457 0.374
446 1HD2 LEU 63 1HD2 LEU 63 7.754 -7.498 1.178
447 2HD2 LEU 63 2HD2 LEU 63 6.491 -8.414 0.354
448 3HD2 LEU 63 3HD2 LEU 63 7.131 -6.941 -0.376
449 H ILE 64 H ILE 64 6.865 -3.562 4.128
450 HA ILE 64 HA ILE 64 7.549 -1.094 3.053
451 HB ILE 64 HB ILE 64 7.327 -1.884 5.962
452 1HG1 ILE 64 1HG1 ILE 64 5.349 -0.531 4.111
453 2HG1 ILE 64 2HG1 ILE 64 5.298 -2.230 4.571
454 1HG2 ILE 64 1HG2 ILE 64 8.143 0.605 4.732
455 2HG2 ILE 64 2HG2 ILE 64 6.693 0.808 5.716
456 3HG2 ILE 64 3HG2 ILE 64 8.156 0.130 6.431
457 1HD1 ILE 64 1HD1 ILE 64 5.063 -1.486 6.945
458 2HD1 ILE 64 2HD1 ILE 64 4.892 0.162 6.342
459 3HD1 ILE 64 3HD1 ILE 64 3.710 -1.068 5.893
460 H ALA 65 H ALA 65 9.380 -3.148 5.310
461 HA ALA 65 HA ALA 65 11.603 -1.462 5.591
462 1HB ALA 65 1HB ALA 65 12.814 -3.713 6.034
463 2HB ALA 65 2HB ALA 65 11.541 -3.187 7.137
464 3HB ALA 65 3HB ALA 65 11.198 -4.410 5.912
465 H GLU 66 H GLU 66 10.727 -3.821 3.150
466 HA GLU 66 HA GLU 66 13.194 -3.990 1.818
467 1HB GLU 66 1HB GLU 66 10.365 -4.400 0.841
468 2HB GLU 66 2HB GLU 66 11.784 -4.728 -0.147
469 1HG GLU 66 1HG GLU 66 12.550 -6.364 1.498
470 2HG GLU 66 2HG GLU 66 11.125 -6.037 2.482
471 H PHE 67 H PHE 67 10.463 -1.768 1.399
472 HA PHE 67 HA PHE 67 11.579 -0.470 -0.879
473 1HB PHE 67 1HB PHE 67 9.251 -0.286 -0.695
474 2HB PHE 67 2HB PHE 67 9.314 0.195 0.994
475 HD1 PHE 67 HD1 PHE 67 10.929 1.487 -2.127
476 HD2 PHE 67 HD2 PHE 67 8.501 2.298 1.270
477 HE1 PHE 67 HE1 PHE 67 10.798 3.853 -2.790
478 HE2 PHE 67 HE2 PHE 67 8.363 4.658 0.621
479 HZ PHE 67 HZ PHE 67 9.514 5.446 -1.415
480 H LEU 68 H LEU 68 11.349 0.487 2.561
481 HA LEU 68 HA LEU 68 12.827 2.867 2.273
482 1HB LEU 68 1HB LEU 68 12.246 1.096 4.641
483 2HB LEU 68 2HB LEU 68 13.126 2.606 4.778
484 HG LEU 68 HG LEU 68 11.193 3.848 4.016
485 1HD1 LEU 68 1HD1 LEU 68 10.346 2.037 2.506
486 2HD1 LEU 68 2HD1 LEU 68 9.650 1.281 3.939
487 3HD1 LEU 68 3HD1 LEU 68 9.118 2.888 3.445
488 1HD2 LEU 68 1HD2 LEU 68 11.389 3.354 6.396
489 2HD2 LEU 68 2HD2 LEU 68 9.700 3.431 5.894
490 3HD2 LEU 68 3HD2 LEU 68 10.472 1.867 6.156
491 H GLN 69 H GLN 69 13.660 -0.427 2.417
492 HA GLN 69 HA GLN 69 16.173 -0.507 3.517
493 1HB GLN 69 1HB GLN 69 14.752 -2.385 2.479
494 2HB GLN 69 2HB GLN 69 15.493 -1.931 0.952
495 1HG GLN 69 1HG GLN 69 16.688 -3.766 1.852
496 2HG GLN 69 2HG GLN 69 17.706 -2.332 1.972
497 1HE2 GLN 69 1HE2 GLN 69 18.719 -2.101 3.826
498 2HE2 GLN 69 2HE2 GLN 69 18.209 -2.720 5.356
499 H SER 70 H SER 70 15.201 0.504 0.274
500 HA SER 70 HA SER 70 17.780 0.936 -0.775
501 1HB SER 70 1HB SER 70 15.170 2.312 -1.473
502 2HB SER 70 2HB SER 70 16.638 2.357 -2.448
503 HG SER 70 HG SER 70 16.245 0.400 -3.140
504 H GLN 71 H GLN 71 15.491 3.057 0.911
505 HA GLN 71 HA GLN 71 17.197 5.348 0.837
506 1HB GLN 71 1HB GLN 71 14.728 4.651 2.418
507 2HB GLN 71 2HB GLN 71 15.607 6.147 2.694
508 1HG GLN 71 1HG GLN 71 13.719 6.521 1.233
509 2HG GLN 71 2HG GLN 71 15.232 6.803 0.374
510 1HE2 GLN 71 1HE2 GLN 71 12.262 5.320 0.258
511 2HE2 GLN 71 2HE2 GLN 71 12.554 4.224 -1.045
512 H LYS 72 H LYS 72 16.266 5.314 3.979
513 HA LYS 72 HA LYS 72 17.364 5.112 5.958
514 1HB LYS 72 1HB LYS 72 17.104 2.670 5.218
515 2HB LYS 72 2HB LYS 72 18.795 2.750 4.744
516 1HG LYS 72 1HG LYS 72 19.422 3.276 7.043
517 2HG LYS 72 2HG LYS 72 17.725 3.218 7.522
518 1HD LYS 72 1HD LYS 72 17.624 0.861 6.840
519 2HD LYS 72 2HD LYS 72 19.328 0.926 6.384
520 1HE LYS 72 1HE LYS 72 19.045 -0.082 8.587
521 2HE LYS 72 2HE LYS 72 19.933 1.437 8.693
522 1HZ LYS 72 1HZ LYS 72 17.796 2.512 9.302
523 2HZ LYS 72 2HZ LYS 72 17.081 0.980 9.374
524 3HZ LYS 72 3HZ LYS 72 18.334 1.380 10.437
525 H THR 73 H THR 73 20.218 3.702 5.724
526 HA THR 73 HA THR 73 21.703 6.094 5.860
527 HB THR 73 HB THR 73 22.704 3.274 5.401
528 HG1 THR 73 HG1 THR 73 22.805 3.145 7.603
529 1HG2 THR 73 1HG2 THR 73 24.337 5.072 4.836
530 2HG2 THR 73 2HG2 THR 73 24.187 5.669 6.489
531 3HG2 THR 73 3HG2 THR 73 24.841 4.059 6.189
532 H ALA 74 H ALA 74 21.581 3.558 3.362
533 HA ALA 74 HA ALA 74 23.105 5.174 1.512
534 1HB ALA 74 1HB ALA 74 21.763 2.796 0.451
535 2HB ALA 74 2HB ALA 74 23.462 3.266 0.388
536 3HB ALA 74 3HB ALA 74 22.815 2.485 1.832
537 H HIS 75 H HIS 75 20.762 6.468 2.306
538 HA HIS 75 HA HIS 75 18.626 6.088 0.487
539 1HB HIS 75 1HB HIS 75 17.857 8.323 1.309
540 2HB HIS 75 2HB HIS 75 18.185 7.161 2.586
541 HD1 HIS 75 HD1 HIS 75 18.166 9.798 3.690
542 HD2 HIS 75 HD2 HIS 75 21.560 8.420 1.730
543 HE1 HIS 75 HE1 HIS 75 20.054 11.232 4.526
544 HE2 HIS 75 HE2 HIS 75 22.111 10.317 3.398
545 H GLU 76 H GLU 76 18.656 9.210 0.106
546 HA GLU 76 HA GLU 76 19.102 10.664 -1.576
547 1HB GLU 76 1HB GLU 76 21.637 9.036 -1.834
548 2HB GLU 76 2HB GLU 76 21.346 10.576 -2.631
549 1HG GLU 76 1HG GLU 76 21.161 11.675 -0.466
550 2HG GLU 76 2HG GLU 76 21.428 10.131 0.343
551 H THR 77 H THR 77 17.383 8.633 -2.218
552 HA THR 77 HA THR 77 18.047 7.224 -4.581
553 HB THR 77 HB THR 77 15.312 8.045 -3.575
554 HG1 THR 77 HG1 THR 77 15.953 5.442 -3.250
555 1HG2 THR 77 1HG2 THR 77 16.131 5.913 -5.553
556 2HG2 THR 77 2HG2 THR 77 14.500 6.150 -4.925
557 3HG2 THR 77 3HG2 THR 77 15.251 7.395 -5.924
558 H ASP 78 H ASP 78 17.886 7.756 -6.704
559 HA ASP 78 HA ASP 78 17.984 10.428 -7.504
560 1HB ASP 78 1HB ASP 78 17.271 8.000 -9.165
561 2HB ASP 78 2HB ASP 78 17.756 9.567 -9.805
562 H LYS 79 H LYS 79 16.479 11.919 -7.881
563 HA LYS 79 HA LYS 79 13.688 11.230 -7.556
564 1HB LYS 79 1HB LYS 79 14.736 13.265 -6.525
565 2HB LYS 79 2HB LYS 79 14.905 13.936 -8.140
566 1HG LYS 79 1HG LYS 79 12.960 14.857 -7.044
567 2HG LYS 79 2HG LYS 79 12.470 13.863 -8.416
568 1HD LYS 79 1HD LYS 79 11.961 12.014 -6.897
569 2HD LYS 79 2HD LYS 79 12.465 13.000 -5.523
570 1HE LYS 79 1HE LYS 79 10.041 12.989 -5.732
571 2HE LYS 79 2HE LYS 79 10.685 14.604 -6.024
572 1HZ LYS 79 1HZ LYS 79 10.391 12.956 -8.386
573 2HZ LYS 79 2HZ LYS 79 8.936 13.368 -7.626
574 3HZ LYS 79 3HZ LYS 79 9.994 14.583 -8.143
575 H SER 80 H SER 80 14.639 10.000 -9.800
576 HA SER 80 HA SER 80 12.824 10.832 -11.782
577 1HB SER 80 1HB SER 80 14.420 11.508 -13.553
578 2HB SER 80 2HB SER 80 14.417 12.637 -12.199
579 HG SER 80 HG SER 80 16.400 12.063 -11.697
580 H1 ALA 1 H1 ALA 1 8.767 -14.933 -4.800
581 H2 ALA 1 H2 ALA 1 7.905 -14.105 -5.997
582 H3 ALA 1 H3 ALA 1 8.276 -13.335 -4.536
583 HA ALA 1 HA ALA 1 6.070 -13.885 -4.262
584 1HB ALA 1 1HB ALA 1 5.814 -15.206 -6.264
585 2HB ALA 1 2HB ALA 1 6.738 -16.528 -5.550
586 3HB ALA 1 3HB ALA 1 5.161 -16.096 -4.888
587 H ARG 2 H ARG 2 8.210 -13.912 -2.508
588 HA ARG 2 HA ARG 2 8.373 -16.307 -0.989
589 1HB ARG 2 1HB ARG 2 9.021 -13.468 -0.173
590 2HB ARG 2 2HB ARG 2 9.528 -14.921 0.677
591 1HG ARG 2 1HG ARG 2 10.837 -15.604 -1.274
592 2HG ARG 2 2HG ARG 2 10.334 -14.136 -2.117
593 1HD ARG 2 1HD ARG 2 11.392 -12.788 -0.349
594 2HD ARG 2 2HD ARG 2 11.932 -14.270 0.438
595 HE ARG 2 HE ARG 2 12.843 -14.277 -2.213
596 1HH1 ARG 2 1HH1 ARG 2 13.358 -12.577 0.784
597 2HH1 ARG 2 2HH1 ARG 2 15.001 -12.167 0.421
598 1HH2 ARG 2 1HH2 ARG 2 15.006 -13.740 -2.703
599 2HH2 ARG 2 2HH2 ARG 2 15.938 -12.828 -1.562
600 H THR 3 H THR 3 8.049 -14.616 1.585
601 HA THR 3 HA THR 3 5.491 -15.590 2.279
602 HB THR 3 HB THR 3 5.759 -14.335 4.372
603 HG1 THR 3 HG1 THR 3 8.260 -13.379 3.502
604 1HG2 THR 3 1HG2 THR 3 7.748 -16.172 3.286
605 2HG2 THR 3 2HG2 THR 3 8.370 -15.182 4.606
606 3HG2 THR 3 3HG2 THR 3 6.938 -16.181 4.852
607 H GLN 5 H GLN 5 2.758 -10.294 1.658
608 HA GLN 5 HA GLN 5 2.260 -10.264 4.543
609 1HB GLN 5 1HB GLN 5 3.191 -8.121 2.636
610 2HB GLN 5 2HB GLN 5 2.820 -7.821 4.329
611 1HG GLN 5 1HG GLN 5 4.927 -9.706 3.298
612 2HG GLN 5 2HG GLN 5 5.210 -8.098 3.962
613 1HE2 GLN 5 1HE2 GLN 5 5.718 -8.004 6.021
614 2HE2 GLN 5 2HE2 GLN 5 5.386 -9.210 7.212
615 H THR 6 H THR 6 0.983 -8.921 1.529
616 HA THR 6 HA THR 6 -1.054 -8.124 0.934
617 HB THR 6 HB THR 6 -3.034 -8.940 1.948
618 HG1 THR 6 HG1 THR 6 -3.009 -8.766 4.071
619 1HG2 THR 6 1HG2 THR 6 -1.626 -10.633 0.816
620 2HG2 THR 6 2HG2 THR 6 -0.934 -11.059 2.382
621 3HG2 THR 6 3HG2 THR 6 -2.651 -11.319 2.077
622 H ALA 7 H ALA 7 -2.333 -6.333 1.176
623 HA ALA 7 HA ALA 7 -2.282 -4.870 3.700
624 1HB ALA 7 1HB ALA 7 -1.399 -3.605 1.100
625 2HB ALA 7 2HB ALA 7 -0.331 -4.034 2.439
626 3HB ALA 7 3HB ALA 7 -1.566 -2.792 2.658
627 H ARG 8 H ARG 8 -4.353 -4.428 4.110
628 HA ARG 8 HA ARG 8 -6.412 -4.644 2.226
629 1HB ARG 8 1HB ARG 8 -6.392 -3.167 4.865
630 2HB ARG 8 2HB ARG 8 -7.836 -3.553 3.937
631 1HG ARG 8 1HG ARG 8 -7.337 -5.945 4.180
632 2HG ARG 8 2HG ARG 8 -5.924 -5.536 5.154
633 1HD ARG 8 1HD ARG 8 -8.786 -4.858 5.820
634 2HD ARG 8 2HD ARG 8 -7.839 -6.154 6.549
635 HE ARG 8 HE ARG 8 -6.452 -3.747 6.884
636 1HH1 ARG 8 1HH1 ARG 8 -9.382 -5.295 7.968
637 2HH1 ARG 8 2HH1 ARG 8 -9.410 -4.464 9.488
638 1HH2 ARG 8 1HH2 ARG 8 -6.480 -2.654 8.883
639 2HH2 ARG 8 2HH2 ARG 8 -7.761 -2.964 10.008
640 H SER 10 H SER 10 -7.264 -0.393 2.343
641 HA SER 10 HA SER 10 -9.013 0.784 3.164
642 1HB SER 10 1HB SER 10 -9.314 1.693 0.289
643 2HB SER 10 2HB SER 10 -10.080 2.446 1.688
644 HG SER 10 HG SER 10 -8.197 3.258 2.312
645 H THR 11 H THR 11 -11.512 1.421 1.909
646 HA THR 11 HA THR 11 -12.820 -1.121 2.261
647 HB THR 11 HB THR 11 -14.915 0.142 2.010
648 HG1 THR 11 HG1 THR 11 -13.140 2.281 1.391
649 1HG2 THR 11 1HG2 THR 11 -12.865 1.426 3.816
650 2HG2 THR 11 2HG2 THR 11 -14.605 1.680 3.939
651 3HG2 THR 11 3HG2 THR 11 -13.927 0.075 4.211
652 H GLY 12 H GLY 12 -13.399 -2.498 0.724
653 1HA GLY 12 1HA GLY 12 -14.314 -1.666 -1.853
654 2HA GLY 12 2HA GLY 12 -14.097 -3.320 -1.311
655 H GLY 13 H GLY 13 -11.899 -0.556 -1.879
656 1HA GLY 13 1HA GLY 13 -9.758 -2.157 -2.753
657 2HA GLY 13 2HA GLY 13 -9.924 -0.432 -3.038
658 H LYS 14 H LYS 14 -12.035 -0.185 -4.675
659 HA LYS 14 HA LYS 14 -11.003 -1.229 -7.145
660 1HB LYS 14 1HB LYS 14 -12.883 -2.501 -7.852
661 2HB LYS 14 2HB LYS 14 -12.466 -3.085 -6.250
662 1HG LYS 14 1HG LYS 14 -14.705 -1.176 -6.898
663 2HG LYS 14 2HG LYS 14 -14.879 -2.895 -6.553
664 1HD LYS 14 1HD LYS 14 -14.010 -2.540 -4.301
665 2HD LYS 14 2HD LYS 14 -13.789 -0.823 -4.647
666 1HE LYS 14 1HE LYS 14 -16.213 -0.614 -5.031
667 2HE LYS 14 2HE LYS 14 -16.410 -2.318 -4.624
668 1HZ LYS 14 1HZ LYS 14 -15.017 -0.707 -2.654
669 2HZ LYS 14 2HZ LYS 14 -16.654 -0.338 -2.864
670 3HZ LYS 14 3HZ LYS 14 -16.189 -1.907 -2.438
671 H ALA 15 H ALA 15 -11.427 1.356 -5.971
672 HA ALA 15 HA ALA 15 -12.189 3.432 -6.499
673 1HB ALA 15 1HB ALA 15 -12.834 2.265 -9.198
674 2HB ALA 15 2HB ALA 15 -11.207 2.714 -8.686
675 3HB ALA 15 3HB ALA 15 -12.464 3.944 -8.808
676 HA PRO 16 HA PRO 16 -16.662 1.923 -6.053
677 1HB PRO 16 1HB PRO 16 -17.006 2.710 -3.469
678 2HB PRO 16 2HB PRO 16 -16.425 1.104 -3.920
679 1HG PRO 16 1HG PRO 16 -14.866 3.503 -3.037
680 2HG PRO 16 2HG PRO 16 -14.678 1.806 -2.555
681 1HD PRO 16 1HD PRO 16 -13.067 2.965 -4.381
682 2HD PRO 16 2HD PRO 16 -13.529 1.253 -4.481
683 H GLY 17 H GLY 17 -17.905 3.766 -4.030
684 1HA GLY 17 1HA GLY 17 -18.641 5.842 -5.797
685 2HA GLY 17 2HA GLY 17 -17.454 6.453 -4.655
686 H GLY 18 H GLY 18 -20.505 6.742 -5.163
687 1HA GLY 18 1HA GLY 18 -21.217 7.368 -2.518
688 2HA GLY 18 2HA GLY 18 -21.871 5.782 -2.902
No H/Q in entry = 688
Start of MODEL 13
1 H1 HIS 8 H1 HIS 8 -23.753 -6.885 17.460
2 H2 HIS 8 H2 HIS 8 -22.335 -7.797 17.600
3 H3 HIS 8 H3 HIS 8 -23.698 -8.461 16.851
4 HA HIS 8 HA HIS 8 -23.504 -9.383 19.031
5 1HB HIS 8 1HB HIS 8 -23.501 -6.483 19.900
6 2HB HIS 8 2HB HIS 8 -23.584 -7.858 20.996
7 HD1 HIS 8 HD1 HIS 8 -21.408 -9.639 20.378
8 HD2 HIS 8 HD2 HIS 8 -20.983 -5.546 19.797
9 HE1 HIS 8 HE1 HIS 8 -18.930 -9.215 20.369
10 HE2 HIS 8 HE2 HIS 8 -18.695 -6.725 20.058
11 H MET 9 H MET 9 -25.528 -9.056 17.176
12 HA MET 9 HA MET 9 -27.836 -9.309 18.792
13 1HB MET 9 1HB MET 9 -27.661 -6.844 18.831
14 2HB MET 9 2HB MET 9 -27.716 -6.822 17.074
15 1HG MET 9 1HG MET 9 -29.875 -6.255 17.993
16 2HG MET 9 2HG MET 9 -29.959 -7.793 17.134
17 1HE MET 9 1HE MET 9 -29.058 -6.199 20.339
18 2HE MET 9 2HE MET 9 -30.239 -6.811 21.497
19 3HE MET 9 3HE MET 9 -28.715 -7.666 21.258
20 H VAL 10 H VAL 10 -26.708 -8.444 15.542
21 HA VAL 10 HA VAL 10 -27.632 -10.807 14.340
22 HB VAL 10 HB VAL 10 -29.866 -9.923 14.664
23 1HG1 VAL 10 1HG1 VAL 10 -28.619 -7.429 13.839
24 2HG1 VAL 10 2HG1 VAL 10 -30.142 -7.743 13.007
25 3HG1 VAL 10 3HG1 VAL 10 -30.091 -7.708 14.769
26 1HG2 VAL 10 1HG2 VAL 10 -29.041 -11.026 12.443
27 2HG2 VAL 10 2HG2 VAL 10 -30.663 -10.343 12.547
28 3HG2 VAL 10 3HG2 VAL 10 -29.374 -9.433 11.762
29 H GLU 11 H GLU 11 -27.135 -7.340 13.757
30 HA GLU 11 HA GLU 11 -26.217 -6.235 11.961
31 1HB GLU 11 1HB GLU 11 -23.800 -6.726 11.775
32 2HB GLU 11 2HB GLU 11 -24.344 -6.592 13.440
33 1HG GLU 11 1HG GLU 11 -24.361 -9.018 13.642
34 2HG GLU 11 2HG GLU 11 -23.848 -9.168 11.963
35 H GLU 12 H GLU 12 -23.985 -7.808 10.440
36 HA GLU 12 HA GLU 12 -25.375 -9.672 8.797
37 1HB GLU 12 1HB GLU 12 -26.400 -7.605 7.948
38 2HB GLU 12 2HB GLU 12 -24.806 -6.939 7.625
39 1HG GLU 12 1HG GLU 12 -24.398 -8.691 5.981
40 2HG GLU 12 2HG GLU 12 -25.985 -9.380 6.315
41 H VAL 13 H VAL 13 -23.962 -10.859 7.559
42 HA VAL 13 HA VAL 13 -21.257 -10.860 8.245
43 HB VAL 13 HB VAL 13 -22.514 -12.050 5.769
44 1HG1 VAL 13 1HG1 VAL 13 -19.807 -11.928 6.627
45 2HG1 VAL 13 2HG1 VAL 13 -20.363 -13.595 6.772
46 3HG1 VAL 13 3HG1 VAL 13 -20.485 -12.757 5.226
47 1HG2 VAL 13 1HG2 VAL 13 -23.373 -12.635 8.181
48 2HG2 VAL 13 2HG2 VAL 13 -23.119 -13.903 6.981
49 3HG2 VAL 13 3HG2 VAL 13 -21.908 -13.615 8.230
50 H LEU 14 H LEU 14 -19.885 -9.274 7.842
51 HA LEU 14 HA LEU 14 -18.895 -8.663 5.333
52 1HB LEU 14 1HB LEU 14 -19.708 -6.241 5.189
53 2HB LEU 14 2HB LEU 14 -20.806 -7.503 4.669
54 HG LEU 14 HG LEU 14 -21.936 -7.337 6.907
55 1HD1 LEU 14 1HD1 LEU 14 -19.906 -5.184 7.231
56 2HD1 LEU 14 2HD1 LEU 14 -21.507 -4.968 7.939
57 3HD1 LEU 14 3HD1 LEU 14 -20.517 -6.351 8.405
58 1HD2 LEU 14 1HD2 LEU 14 -21.901 -5.222 4.831
59 2HD2 LEU 14 2HD2 LEU 14 -23.203 -6.301 5.332
60 3HD2 LEU 14 3HD2 LEU 14 -22.794 -4.896 6.316
61 H GLU 15 H GLU 15 -18.001 -9.192 7.957
62 HA GLU 15 HA GLU 15 -17.089 -6.920 9.335
63 1HB GLU 15 1HB GLU 15 -17.168 -9.129 10.366
64 2HB GLU 15 2HB GLU 15 -15.939 -9.713 9.253
65 1HG GLU 15 1HG GLU 15 -14.323 -8.157 10.211
66 2HG GLU 15 2HG GLU 15 -15.554 -7.560 11.322
67 H GLU 16 H GLU 16 -15.275 -5.719 9.237
68 HA GLU 16 HA GLU 16 -13.310 -4.833 8.521
69 1HB GLU 16 1HB GLU 16 -12.973 -7.423 7.005
70 2HB GLU 16 2HB GLU 16 -11.735 -6.190 7.199
71 1HG GLU 16 1HG GLU 16 -11.742 -6.543 9.606
72 2HG GLU 16 2HG GLU 16 -13.005 -7.760 9.430
73 H GLU 17 H GLU 17 -14.937 -6.569 5.871
74 HA GLU 17 HA GLU 17 -15.758 -5.854 3.877
75 1HB GLU 17 1HB GLU 17 -15.000 -3.088 4.833
76 2HB GLU 17 2HB GLU 17 -15.959 -3.444 3.402
77 1HG GLU 17 1HG GLU 17 -17.679 -4.460 4.812
78 2HG GLU 17 2HG GLU 17 -16.719 -4.090 6.243
79 H GLU 18 H GLU 18 -12.812 -3.988 4.685
80 HA GLU 18 HA GLU 18 -11.833 -3.912 2.043
81 1HB GLU 18 1HB GLU 18 -10.315 -3.704 4.619
82 2HB GLU 18 2HB GLU 18 -9.713 -3.222 3.047
83 1HG GLU 18 1HG GLU 18 -11.362 -1.466 2.908
84 2HG GLU 18 2HG GLU 18 -12.099 -1.998 4.418
85 H GLU 19 H GLU 19 -10.892 -5.446 0.848
86 HA GLU 19 HA GLU 19 -10.327 -8.029 2.030
87 1HB GLU 19 1HB GLU 19 -11.488 -7.819 -0.138
88 2HB GLU 19 2HB GLU 19 -10.020 -7.138 -0.827
89 1HG GLU 19 1HG GLU 19 -10.216 -9.473 -1.369
90 2HG GLU 19 2HG GLU 19 -8.822 -9.203 -0.335
91 H GLU 20 H GLU 20 -8.375 -8.925 2.384
92 HA GLU 20 HA GLU 20 -6.072 -7.206 2.386
93 1HB GLU 20 1HB GLU 20 -6.284 -10.143 3.070
94 2HB GLU 20 2HB GLU 20 -4.918 -9.097 3.426
95 1HG GLU 20 1HG GLU 20 -6.317 -7.757 4.904
96 2HG GLU 20 2HG GLU 20 -7.698 -8.789 4.537
97 H TYR 21 H TYR 21 -5.968 -6.869 0.038
98 HA TYR 21 HA TYR 21 -5.478 -8.939 -1.795
99 1HB TYR 21 1HB TYR 21 -4.848 -6.001 -1.801
100 2HB TYR 21 2HB TYR 21 -4.324 -7.041 -3.122
101 HD1 TYR 21 HD1 TYR 21 -7.500 -6.738 -1.149
102 HD2 TYR 21 HD2 TYR 21 -5.647 -6.763 -4.979
103 HE1 TYR 21 HE1 TYR 21 -9.704 -6.505 -2.213
104 HE2 TYR 21 HE2 TYR 21 -7.846 -6.530 -6.052
105 HH TYR 21 HH TYR 21 -10.557 -7.237 -4.865
106 H VAL 22 H VAL 22 -3.633 -9.889 -2.553
107 HA VAL 22 HA VAL 22 -1.546 -10.350 -0.793
108 HB VAL 22 HB VAL 22 -1.443 -10.661 -3.792
109 1HG1 VAL 22 1HG1 VAL 22 0.725 -10.809 -2.479
110 2HG1 VAL 22 2HG1 VAL 22 0.054 -12.258 -1.730
111 3HG1 VAL 22 3HG1 VAL 22 0.312 -12.205 -3.474
112 1HG2 VAL 22 1HG2 VAL 22 -3.346 -11.756 -2.321
113 2HG2 VAL 22 2HG2 VAL 22 -2.566 -12.644 -3.630
114 3HG2 VAL 22 3HG2 VAL 22 -2.068 -12.918 -1.960
115 H VAL 23 H VAL 23 -1.648 -8.105 -3.530
116 HA VAL 23 HA VAL 23 -0.381 -6.270 -4.021
117 HB VAL 23 HB VAL 23 0.855 -6.573 -1.287
118 1HG1 VAL 23 1HG1 VAL 23 0.927 -4.524 -3.407
119 2HG1 VAL 23 2HG1 VAL 23 0.751 -3.933 -1.756
120 3HG1 VAL 23 3HG1 VAL 23 2.130 -4.942 -2.189
121 1HG2 VAL 23 1HG2 VAL 23 -1.602 -6.543 -1.157
122 2HG2 VAL 23 2HG2 VAL 23 -0.873 -5.097 -0.452
123 3HG2 VAL 23 3HG2 VAL 23 -1.615 -5.021 -2.051
124 H GLU 24 H GLU 24 1.571 -5.869 -5.014
125 HA GLU 24 HA GLU 24 3.385 -8.147 -5.114
126 1HB GLU 24 1HB GLU 24 2.483 -7.270 -7.222
127 2HB GLU 24 2HB GLU 24 3.232 -5.714 -6.894
128 1HG GLU 24 1HG GLU 24 5.437 -6.739 -6.990
129 2HG GLU 24 2HG GLU 24 4.699 -8.312 -7.287
130 H LYS 25 H LYS 25 3.675 -4.573 -4.834
131 HA LYS 25 HA LYS 25 5.727 -4.751 -2.884
132 1HB LYS 25 1HB LYS 25 7.509 -3.735 -4.417
133 2HB LYS 25 2HB LYS 25 7.235 -5.473 -4.492
134 1HG LYS 25 1HG LYS 25 5.798 -5.125 -6.441
135 2HG LYS 25 2HG LYS 25 6.158 -3.402 -6.386
136 1HD LYS 25 1HD LYS 25 8.243 -5.561 -6.699
137 2HD LYS 25 2HD LYS 25 7.514 -4.691 -8.049
138 1HE LYS 25 1HE LYS 25 9.614 -3.660 -7.548
139 2HE LYS 25 2HE LYS 25 8.331 -2.566 -7.035
140 1HZ LYS 25 1HZ LYS 25 9.471 -4.445 -5.085
141 2HZ LYS 25 2HZ LYS 25 10.343 -3.052 -5.486
142 3HZ LYS 25 3HZ LYS 25 8.789 -2.917 -4.833
143 H VAL 26 H VAL 26 6.429 -2.836 -2.068
144 HA VAL 26 HA VAL 26 4.701 -0.587 -2.393
145 HB VAL 26 HB VAL 26 6.760 -1.463 -0.545
146 1HG1 VAL 26 1HG1 VAL 26 6.756 1.463 -1.255
147 2HG1 VAL 26 2HG1 VAL 26 7.548 0.751 0.150
148 3HG1 VAL 26 3HG1 VAL 26 8.089 0.328 -1.475
149 1HG2 VAL 26 1HG2 VAL 26 4.289 -1.012 -0.165
150 2HG2 VAL 26 2HG2 VAL 26 5.412 -0.414 1.058
151 3HG2 VAL 26 3HG2 VAL 26 4.724 0.700 -0.129
152 H LEU 27 H LEU 27 5.166 1.430 -3.300
153 HA LEU 27 HA LEU 27 7.498 1.481 -5.083
154 1HB LEU 27 1HB LEU 27 4.847 2.896 -5.298
155 2HB LEU 27 2HB LEU 27 6.215 3.242 -6.336
156 HG LEU 27 HG LEU 27 4.723 1.821 -7.536
157 1HD1 LEU 27 1HD1 LEU 27 7.192 0.436 -6.546
158 2HD1 LEU 27 2HD1 LEU 27 6.144 -0.284 -7.769
159 3HD1 LEU 27 3HD1 LEU 27 6.926 1.267 -8.079
160 1HD2 LEU 27 1HD2 LEU 27 4.409 0.532 -4.956
161 2HD2 LEU 27 2HD2 LEU 27 3.333 0.552 -6.353
162 3HD2 LEU 27 3HD2 LEU 27 4.645 -0.624 -6.267
163 H ASP 28 H ASP 28 5.648 3.431 -2.756
164 HA ASP 28 HA ASP 28 7.981 4.817 -1.922
165 1HB ASP 28 1HB ASP 28 7.468 5.861 -4.198
166 2HB ASP 28 2HB ASP 28 6.042 6.560 -3.441
167 H ARG 29 H ARG 29 6.379 7.311 -1.351
168 HA ARG 29 HA ARG 29 4.150 6.596 0.263
169 1HB ARG 29 1HB ARG 29 5.166 7.103 2.456
170 2HB ARG 29 2HB ARG 29 5.883 5.677 1.716
171 1HG ARG 29 1HG ARG 29 7.793 7.012 0.988
172 2HG ARG 29 2HG ARG 29 7.074 8.444 1.724
173 1HD ARG 29 1HD ARG 29 7.185 7.383 3.918
174 2HD ARG 29 2HD ARG 29 7.875 5.933 3.191
175 HE ARG 29 HE ARG 29 9.897 6.954 3.346
176 1HH1 ARG 29 1HH1 ARG 29 7.470 9.442 3.039
177 2HH1 ARG 29 2HH1 ARG 29 8.611 10.742 3.124
178 1HH2 ARG 29 1HH2 ARG 29 11.400 8.661 3.457
179 2HH2 ARG 29 2HH2 ARG 29 10.843 10.299 3.362
180 H ARG 30 H ARG 30 2.991 8.420 0.864
181 HA ARG 30 HA ARG 30 4.250 11.024 0.821
182 1HB ARG 30 1HB ARG 30 2.768 11.945 -0.921
183 2HB ARG 30 2HB ARG 30 3.854 10.713 -1.547
184 1HG ARG 30 1HG ARG 30 2.024 9.073 -1.423
185 2HG ARG 30 2HG ARG 30 0.943 10.352 -0.872
186 1HD ARG 30 1HD ARG 30 2.439 10.424 -3.488
187 2HD ARG 30 2HD ARG 30 0.795 9.817 -3.315
188 HE ARG 30 HE ARG 30 0.039 11.977 -3.115
189 1HH1 ARG 30 1HH1 ARG 30 3.527 11.961 -3.013
190 2HH1 ARG 30 2HH1 ARG 30 3.658 13.687 -3.059
191 1HH2 ARG 30 1HH2 ARG 30 0.210 14.241 -3.182
192 2HH2 ARG 30 2HH2 ARG 30 1.776 14.982 -3.156
193 H VAL 31 H VAL 31 3.215 12.491 2.051
194 HA VAL 31 HA VAL 31 0.756 11.624 3.386
195 HB VAL 31 HB VAL 31 2.597 13.931 4.051
196 1HG1 VAL 31 1HG1 VAL 31 0.106 12.866 5.315
197 2HG1 VAL 31 2HG1 VAL 31 1.342 13.644 6.305
198 3HG1 VAL 31 3HG1 VAL 31 0.573 14.536 4.991
199 1HG2 VAL 31 1HG2 VAL 31 3.436 11.491 4.285
200 2HG2 VAL 31 2HG2 VAL 31 3.643 12.603 5.640
201 3HG2 VAL 31 3HG2 VAL 31 2.334 11.421 5.662
202 H VAL 32 H VAL 32 -1.178 12.626 3.070
203 HA VAL 32 HA VAL 32 -1.248 14.753 1.062
204 HB VAL 32 HB VAL 32 -3.650 14.354 0.932
205 1HG1 VAL 32 1HG1 VAL 32 -1.911 12.912 -0.270
206 2HG1 VAL 32 2HG1 VAL 32 -2.334 11.659 0.897
207 3HG1 VAL 32 3HG1 VAL 32 -3.566 12.305 -0.189
208 1HG2 VAL 32 1HG2 VAL 32 -3.133 12.476 3.221
209 2HG2 VAL 32 2HG2 VAL 32 -4.280 13.814 3.134
210 3HG2 VAL 32 3HG2 VAL 32 -4.563 12.349 2.195
211 H LYS 33 H LYS 33 -1.914 14.181 4.419
212 HA LYS 33 HA LYS 33 -2.063 17.002 4.956
213 1HB LYS 33 1HB LYS 33 -4.277 16.882 6.071
214 2HB LYS 33 2HB LYS 33 -4.377 16.623 4.335
215 1HG LYS 33 1HG LYS 33 -4.507 14.197 4.718
216 2HG LYS 33 2HG LYS 33 -4.457 14.486 6.458
217 1HD LYS 33 1HD LYS 33 -6.530 15.773 6.310
218 2HD LYS 33 2HD LYS 33 -6.575 15.507 4.566
219 1HE LYS 33 1HE LYS 33 -6.727 13.088 4.951
220 2HE LYS 33 2HE LYS 33 -6.708 13.370 6.692
221 1HZ LYS 33 1HZ LYS 33 -8.772 14.481 4.871
222 2HZ LYS 33 2HZ LYS 33 -8.955 13.028 5.716
223 3HZ LYS 33 3HZ LYS 33 -8.788 14.482 6.564
224 H GLY 34 H GLY 34 -2.184 13.683 5.977
225 1HA GLY 34 1HA GLY 34 -2.105 13.923 8.738
226 2HA GLY 34 2HA GLY 34 -0.449 14.115 8.176
227 H LYS 35 H LYS 35 -2.595 12.137 6.336
228 HA LYS 35 HA LYS 35 -1.982 9.680 7.669
229 1HB LYS 35 1HB LYS 35 -3.228 8.634 5.881
230 2HB LYS 35 2HB LYS 35 -4.098 10.045 6.454
231 1HG LYS 35 1HG LYS 35 -3.189 11.321 4.537
232 2HG LYS 35 2HG LYS 35 -2.460 9.830 3.940
233 1HD LYS 35 1HD LYS 35 -5.405 10.280 4.412
234 2HD LYS 35 2HD LYS 35 -4.602 10.315 2.842
235 1HE LYS 35 1HE LYS 35 -3.952 7.976 3.118
236 2HE LYS 35 2HE LYS 35 -4.728 7.941 4.701
237 1HZ LYS 35 1HZ LYS 35 -6.271 8.680 2.300
238 2HZ LYS 35 2HZ LYS 35 -6.006 7.052 2.676
239 3HZ LYS 35 3HZ LYS 35 -6.824 8.050 3.769
240 H VAL 36 H VAL 36 -0.907 7.869 6.614
241 HA VAL 36 HA VAL 36 1.337 8.775 4.928
242 HB VAL 36 HB VAL 36 1.522 6.289 6.575
243 1HG1 VAL 36 1HG1 VAL 36 3.225 7.684 4.877
244 2HG1 VAL 36 2HG1 VAL 36 3.826 8.014 6.502
245 3HG1 VAL 36 3HG1 VAL 36 3.646 6.349 5.950
246 1HG2 VAL 36 1HG2 VAL 36 0.814 8.608 7.826
247 2HG2 VAL 36 2HG2 VAL 36 1.711 7.284 8.569
248 3HG2 VAL 36 3HG2 VAL 36 2.576 8.671 7.904
249 H GLU 37 H GLU 37 0.041 8.313 3.016
250 HA GLU 37 HA GLU 37 -0.750 5.552 2.583
251 1HB GLU 37 1HB GLU 37 -1.671 6.337 0.470
252 2HB GLU 37 2HB GLU 37 -2.215 7.347 1.801
253 1HG GLU 37 1HG GLU 37 -0.520 9.017 1.199
254 2HG GLU 37 2HG GLU 37 -0.039 8.012 -0.166
255 H TYR 38 H TYR 38 0.391 4.072 1.586
256 HA TYR 38 HA TYR 38 2.858 4.863 0.200
257 1HB TYR 38 1HB TYR 38 2.072 2.378 1.693
258 2HB TYR 38 2HB TYR 38 3.349 2.320 0.483
259 HD1 TYR 38 HD1 TYR 38 2.406 4.613 3.289
260 HD2 TYR 38 HD2 TYR 38 5.457 2.367 1.360
261 HE1 TYR 38 HE1 TYR 38 4.028 5.390 4.958
262 HE2 TYR 38 HE2 TYR 38 7.092 3.137 3.022
263 HH TYR 38 HH TYR 38 7.441 4.799 4.629
264 H LEU 39 H LEU 39 3.321 4.096 -1.829
265 HA LEU 39 HA LEU 39 1.033 3.258 -3.390
266 1HB LEU 39 1HB LEU 39 2.629 4.963 -4.227
267 2HB LEU 39 2HB LEU 39 3.890 3.746 -4.243
268 HG LEU 39 HG LEU 39 2.806 2.530 -5.996
269 1HD1 LEU 39 1HD1 LEU 39 0.493 2.966 -5.110
270 2HD1 LEU 39 2HD1 LEU 39 0.559 4.521 -5.940
271 3HD1 LEU 39 3HD1 LEU 39 0.663 3.024 -6.865
272 1HD2 LEU 39 1HD2 LEU 39 2.839 5.496 -6.501
273 2HD2 LEU 39 2HD2 LEU 39 4.141 4.342 -6.791
274 3HD2 LEU 39 3HD2 LEU 39 2.675 4.282 -7.771
275 H LEU 40 H LEU 40 0.776 1.254 -4.363
276 HA LEU 40 HA LEU 40 2.889 -0.727 -4.131
277 1HB LEU 40 1HB LEU 40 0.216 -1.099 -2.782
278 2HB LEU 40 2HB LEU 40 1.408 -2.362 -3.001
279 HG LEU 40 HG LEU 40 2.902 -0.518 -1.703
280 1HD1 LEU 40 1HD1 LEU 40 0.342 0.515 -1.487
281 2HD1 LEU 40 2HD1 LEU 40 0.638 -0.268 0.066
282 3HD1 LEU 40 3HD1 LEU 40 1.752 0.965 -0.529
283 1HD2 LEU 40 1HD2 LEU 40 2.497 -2.956 -1.187
284 2HD2 LEU 40 2HD2 LEU 40 2.731 -1.902 0.207
285 3HD2 LEU 40 3HD2 LEU 40 1.108 -2.434 -0.235
286 H LYS 41 H LYS 41 2.850 -2.162 -5.772
287 HA LYS 41 HA LYS 41 0.845 -1.852 -7.810
288 1HB LYS 41 1HB LYS 41 3.195 -2.328 -8.385
289 2HB LYS 41 2HB LYS 41 3.077 -3.883 -7.571
290 1HG LYS 41 1HG LYS 41 1.407 -4.619 -9.175
291 2HG LYS 41 2HG LYS 41 1.468 -3.049 -9.975
292 1HD LYS 41 1HD LYS 41 3.866 -4.846 -9.677
293 2HD LYS 41 2HD LYS 41 2.787 -4.898 -11.070
294 1HE LYS 41 1HE LYS 41 4.689 -3.529 -11.608
295 2HE LYS 41 2HE LYS 41 3.265 -2.500 -11.472
296 1HZ LYS 41 1HZ LYS 41 4.860 -2.839 -9.060
297 2HZ LYS 41 2HZ LYS 41 5.566 -1.937 -10.304
298 3HZ LYS 41 3HZ LYS 41 4.076 -1.464 -9.656
299 H TRP 42 H TRP 42 -0.926 -3.123 -8.183
300 HA TRP 42 HA TRP 42 -1.366 -5.293 -6.249
301 1HB TRP 42 1HB TRP 42 -3.467 -3.825 -7.849
302 2HB TRP 42 2HB TRP 42 -3.732 -4.929 -6.502
303 HD1 TRP 42 HD1 TRP 42 -2.404 -1.389 -7.230
304 HE1 TRP 42 HE1 TRP 42 -2.529 -0.012 -5.062
305 HE3 TRP 42 HE3 TRP 42 -3.842 -5.079 -3.992
306 HZ2 TRP 42 HZ2 TRP 42 -3.162 -0.424 -2.348
307 HZ3 TRP 42 HZ3 TRP 42 -4.185 -4.501 -1.628
308 HH2 TRP 42 HH2 TRP 42 -3.850 -2.221 -0.824
309 H LYS 43 H LYS 43 -1.743 -7.322 -6.877
310 HA LYS 43 HA LYS 43 -1.056 -8.170 -9.465
311 1HB LYS 43 1HB LYS 43 -1.786 -10.395 -8.729
312 2HB LYS 43 2HB LYS 43 -0.795 -9.606 -7.510
313 1HG LYS 43 1HG LYS 43 -2.804 -9.012 -6.254
314 2HG LYS 43 2HG LYS 43 -3.801 -9.795 -7.481
315 1HD LYS 43 1HD LYS 43 -1.701 -11.169 -5.803
316 2HD LYS 43 2HD LYS 43 -3.438 -11.225 -5.505
317 1HE LYS 43 1HE LYS 43 -2.012 -12.250 -7.958
318 2HE LYS 43 2HE LYS 43 -2.695 -13.233 -6.663
319 1HZ LYS 43 1HZ LYS 43 -4.798 -11.736 -7.405
320 2HZ LYS 43 2HZ LYS 43 -4.009 -11.943 -8.886
321 3HZ LYS 43 3HZ LYS 43 -4.483 -13.293 -7.983
322 H GLY 44 H GLY 44 -2.269 -8.966 -11.167
323 1HA GLY 44 1HA GLY 44 -5.153 -9.002 -11.057
324 2HA GLY 44 2HA GLY 44 -4.155 -9.383 -12.453
325 H PHE 45 H PHE 45 -4.519 -6.461 -10.439
326 HA PHE 45 HA PHE 45 -5.819 -4.985 -12.500
327 1HB PHE 45 1HB PHE 45 -4.461 -4.051 -9.962
328 2HB PHE 45 2HB PHE 45 -5.405 -3.015 -11.023
329 HD1 PHE 45 HD1 PHE 45 -7.355 -2.430 -9.986
330 HD2 PHE 45 HD2 PHE 45 -6.000 -6.451 -9.664
331 HE1 PHE 45 HE1 PHE 45 -9.402 -3.017 -8.756
332 HE2 PHE 45 HE2 PHE 45 -8.047 -7.046 -8.436
333 HZ PHE 45 HZ PHE 45 -9.751 -5.328 -7.981
334 H SER 46 H SER 46 -5.007 -3.533 -13.950
335 HA SER 46 HA SER 46 -2.477 -3.885 -15.005
336 1HB SER 46 1HB SER 46 -4.206 -1.405 -15.173
337 2HB SER 46 2HB SER 46 -2.866 -1.793 -16.250
338 HG SER 46 HG SER 46 -4.076 -3.746 -16.766
339 H ASP 47 H ASP 47 -0.524 -2.804 -14.849
340 HA ASP 47 HA ASP 47 0.289 -1.924 -12.348
341 1HB ASP 47 1HB ASP 47 2.317 -1.047 -13.516
342 2HB ASP 47 2HB ASP 47 1.917 -2.709 -13.932
343 H GLU 48 H GLU 48 -1.003 -0.105 -15.052
344 HA GLU 48 HA GLU 48 -0.342 2.478 -14.160
345 1HB GLU 48 1HB GLU 48 -2.659 1.543 -15.861
346 2HB GLU 48 2HB GLU 48 -2.157 3.215 -15.674
347 1HG GLU 48 1HG GLU 48 -0.485 1.008 -16.849
348 2HG GLU 48 2HG GLU 48 -1.348 2.246 -17.761
349 H ASP 49 H ASP 49 -2.838 0.244 -13.256
350 HA ASP 49 HA ASP 49 -4.529 2.158 -11.963
351 1HB ASP 49 1HB ASP 49 -5.308 -0.045 -12.890
352 2HB ASP 49 2HB ASP 49 -4.471 -0.837 -11.561
353 H ASN 50 H ASN 50 -1.953 2.563 -11.018
354 HA ASN 50 HA ASN 50 -1.318 1.226 -8.634
355 1HB ASN 50 1HB ASN 50 -0.624 3.943 -9.720
356 2HB ASN 50 2HB ASN 50 -0.108 3.461 -8.108
357 1HD2 ASN 50 1HD2 ASN 50 -0.121 0.622 -9.526
358 2HD2 ASN 50 2HD2 ASN 50 1.465 0.572 -10.206
359 H THR 51 H THR 51 -1.780 1.647 -6.481
360 HA THR 51 HA THR 51 -3.649 3.804 -5.861
361 HB THR 51 HB THR 51 -4.244 0.903 -5.252
362 HG1 THR 51 HG1 THR 51 -4.794 2.298 -7.378
363 1HG2 THR 51 1HG2 THR 51 -5.249 3.427 -4.107
364 2HG2 THR 51 2HG2 THR 51 -6.483 2.254 -4.568
365 3HG2 THR 51 3HG2 THR 51 -5.221 1.802 -3.424
366 H TRP 52 H TRP 52 -2.954 4.814 -4.117
367 HA TRP 52 HA TRP 52 -1.008 3.591 -2.369
368 1HB TRP 52 1HB TRP 52 -2.244 6.346 -2.202
369 2HB TRP 52 2HB TRP 52 -0.799 5.785 -1.386
370 HD1 TRP 52 HD1 TRP 52 -1.897 5.914 -5.124
371 HE1 TRP 52 HE1 TRP 52 0.108 6.770 -6.491
372 HE3 TRP 52 HE3 TRP 52 1.462 6.529 -1.334
373 HZ2 TRP 52 HZ2 TRP 52 2.762 7.608 -6.020
374 HZ3 TRP 52 HZ3 TRP 52 3.703 7.360 -1.868
375 HH2 TRP 52 HH2 TRP 52 4.348 7.888 -4.164
376 H GLU 53 H GLU 53 -1.264 3.483 -0.058
377 HA GLU 53 HA GLU 53 -3.977 3.671 0.987
378 1HB GLU 53 1HB GLU 53 -3.760 1.319 1.918
379 2HB GLU 53 2HB GLU 53 -4.056 1.447 0.188
380 1HG GLU 53 1HG GLU 53 -1.678 1.098 -0.244
381 2HG GLU 53 2HG GLU 53 -1.383 0.966 1.488
382 HA PRO 54 HA PRO 54 -1.821 5.166 4.551
383 1HB PRO 54 1HB PRO 54 -3.688 4.414 6.456
384 2HB PRO 54 2HB PRO 54 -3.756 5.899 5.502
385 1HG PRO 54 1HG PRO 54 -5.175 3.306 5.079
386 2HG PRO 54 2HG PRO 54 -5.771 4.961 4.859
387 1HD PRO 54 1HD PRO 54 -5.053 3.444 2.770
388 2HD PRO 54 2HD PRO 54 -4.738 5.192 2.795
389 H GLU 55 H GLU 55 -0.190 4.257 5.556
390 HA GLU 55 HA GLU 55 0.564 1.671 5.620
391 1HB GLU 55 1HB GLU 55 1.965 3.582 6.300
392 2HB GLU 55 2HB GLU 55 1.083 3.696 7.813
393 1HG GLU 55 1HG GLU 55 2.612 1.242 6.990
394 2HG GLU 55 2HG GLU 55 3.330 2.567 7.903
395 H GLU 56 H GLU 56 -1.665 3.199 7.872
396 HA GLU 56 HA GLU 56 -1.756 1.392 9.938
397 1HB GLU 56 1HB GLU 56 -4.119 2.781 8.663
398 2HB GLU 56 2HB GLU 56 -4.088 2.086 10.277
399 1HG GLU 56 1HG GLU 56 -2.351 4.359 9.340
400 2HG GLU 56 2HG GLU 56 -3.837 4.532 10.270
401 H ASN 57 H ASN 57 -3.651 1.227 6.920
402 HA ASN 57 HA ASN 57 -4.827 -1.291 7.564
403 1HB ASN 57 1HB ASN 57 -4.627 0.177 4.930
404 2HB ASN 57 2HB ASN 57 -5.600 -1.265 5.201
405 1HD2 ASN 57 1HD2 ASN 57 -5.776 1.951 4.935
406 2HD2 ASN 57 2HD2 ASN 57 -7.164 2.272 5.913
407 H LEU 58 H LEU 58 -1.942 -0.304 5.866
408 HA LEU 58 HA LEU 58 -1.301 -2.417 4.286
409 1HB LEU 58 1HB LEU 58 0.444 -0.779 6.104
410 2HB LEU 58 2HB LEU 58 1.108 -2.016 5.055
411 HG LEU 58 HG LEU 58 1.130 0.449 4.273
412 1HD1 LEU 58 1HD1 LEU 58 1.527 -1.759 2.972
413 2HD1 LEU 58 2HD1 LEU 58 -0.046 -1.406 2.257
414 3HD1 LEU 58 3HD1 LEU 58 1.278 -0.253 2.089
415 1HD2 LEU 58 1HD2 LEU 58 -1.467 0.482 4.753
416 2HD2 LEU 58 2HD2 LEU 58 -0.754 1.412 3.435
417 3HD2 LEU 58 3HD2 LEU 58 -1.534 -0.135 3.102
418 H ASP 59 H ASP 59 -0.791 -4.486 4.483
419 HA ASP 59 HA ASP 59 -0.303 -5.571 7.178
420 1HB ASP 59 1HB ASP 59 -1.837 -6.857 4.905
421 2HB ASP 59 2HB ASP 59 -1.456 -7.636 6.436
422 H CYS 60 H CYS 60 1.720 -4.659 5.547
423 HA CYS 60 HA CYS 60 3.275 -7.066 5.192
424 1HB CYS 60 1HB CYS 60 3.935 -6.511 2.869
425 2HB CYS 60 2HB CYS 60 2.228 -6.918 3.006
426 HG CYS 60 HG CYS 60 1.306 -4.739 1.997
427 HA PRO 61 HA PRO 61 5.287 -3.062 6.848
428 1HB PRO 61 1HB PRO 61 6.575 -4.574 8.826
429 2HB PRO 61 2HB PRO 61 5.153 -3.552 9.056
430 1HG PRO 61 1HG PRO 61 5.326 -6.500 8.652
431 2HG PRO 61 2HG PRO 61 4.211 -5.566 9.666
432 1HD PRO 61 1HD PRO 61 3.414 -6.610 7.338
433 2HD PRO 61 2HD PRO 61 2.846 -5.011 7.866
434 H ASP 62 H ASP 62 6.340 -6.329 6.131
435 HA ASP 62 HA ASP 62 9.094 -5.975 6.095
436 1HB ASP 62 1HB ASP 62 8.049 -8.172 5.893
437 2HB ASP 62 2HB ASP 62 7.396 -7.737 4.316
438 H LEU 63 H LEU 63 6.695 -5.265 3.584
439 HA LEU 63 HA LEU 63 8.606 -4.595 1.590
440 1HB LEU 63 1HB LEU 63 5.669 -4.011 1.881
441 2HB LEU 63 2HB LEU 63 6.606 -3.451 0.509
442 HG LEU 63 HG LEU 63 7.166 -5.822 -0.017
443 1HD1 LEU 63 1HD1 LEU 63 6.748 -6.618 2.349
444 2HD1 LEU 63 2HD1 LEU 63 5.029 -6.563 1.960
445 3HD1 LEU 63 3HD1 LEU 63 6.104 -7.630 1.057
446 1HD2 LEU 63 1HD2 LEU 63 5.305 -4.608 -1.096
447 2HD2 LEU 63 2HD2 LEU 63 5.032 -6.348 -0.991
448 3HD2 LEU 63 3HD2 LEU 63 4.212 -5.259 0.128
449 H ILE 64 H ILE 64 6.743 -2.712 3.937
450 HA ILE 64 HA ILE 64 7.508 -0.157 3.067
451 HB ILE 64 HB ILE 64 6.764 -1.137 5.826
452 1HG1 ILE 64 1HG1 ILE 64 4.672 0.174 5.326
453 2HG1 ILE 64 2HG1 ILE 64 5.270 0.391 3.685
454 1HG2 ILE 64 1HG2 ILE 64 7.208 1.698 4.903
455 2HG2 ILE 64 2HG2 ILE 64 6.494 1.229 6.446
456 3HG2 ILE 64 3HG2 ILE 64 8.170 0.814 6.087
457 1HD1 ILE 64 1HD1 ILE 64 4.946 -2.344 4.850
458 2HD1 ILE 64 2HD1 ILE 64 3.578 -1.477 4.150
459 3HD1 ILE 64 3HD1 ILE 64 4.988 -1.848 3.157
460 H ALA 65 H ALA 65 8.992 -2.392 5.371
461 HA ALA 65 HA ALA 65 11.139 -0.702 6.119
462 1HB ALA 65 1HB ALA 65 12.137 -3.166 6.572
463 2HB ALA 65 2HB ALA 65 11.007 -2.356 7.655
464 3HB ALA 65 3HB ALA 65 10.416 -3.538 6.488
465 H GLU 66 H GLU 66 10.776 -3.256 3.694
466 HA GLU 66 HA GLU 66 13.396 -3.359 2.749
467 1HB GLU 66 1HB GLU 66 11.666 -4.982 2.103
468 2HB GLU 66 2HB GLU 66 10.813 -3.730 1.209
469 1HG GLU 66 1HG GLU 66 12.699 -3.522 -0.319
470 2HG GLU 66 2HG GLU 66 13.575 -4.757 0.585
471 H PHE 67 H PHE 67 10.727 -1.225 1.943
472 HA PHE 67 HA PHE 67 11.873 0.119 -0.231
473 1HB PHE 67 1HB PHE 67 9.535 0.348 0.181
474 2HB PHE 67 2HB PHE 67 9.810 0.921 1.821
475 HD1 PHE 67 HD1 PHE 67 9.332 3.114 2.141
476 HD2 PHE 67 HD2 PHE 67 10.929 1.900 -1.611
477 HE1 PHE 67 HE1 PHE 67 9.235 5.439 1.358
478 HE2 PHE 67 HE2 PHE 67 10.838 4.226 -2.406
479 HZ PHE 67 HZ PHE 67 9.993 6.002 -0.921
480 H LEU 68 H LEU 68 11.870 0.872 3.235
481 HA LEU 68 HA LEU 68 13.383 3.248 2.992
482 1HB LEU 68 1HB LEU 68 13.027 1.476 5.404
483 2HB LEU 68 2HB LEU 68 13.545 3.154 5.412
484 HG LEU 68 HG LEU 68 10.832 2.145 4.556
485 1HD1 LEU 68 1HD1 LEU 68 11.863 3.440 7.044
486 2HD1 LEU 68 2HD1 LEU 68 10.180 3.628 6.550
487 3HD1 LEU 68 3HD1 LEU 68 10.832 2.020 6.864
488 1HD2 LEU 68 1HD2 LEU 68 12.201 4.542 3.883
489 2HD2 LEU 68 2HD2 LEU 68 10.548 4.066 3.493
490 3HD2 LEU 68 3HD2 LEU 68 10.884 4.944 4.986
491 H GLN 69 H GLN 69 14.282 -0.125 3.421
492 HA GLN 69 HA GLN 69 16.893 0.157 4.323
493 1HB GLN 69 1HB GLN 69 15.737 -1.876 2.406
494 2HB GLN 69 2HB GLN 69 17.342 -2.000 3.111
495 1HG GLN 69 1HG GLN 69 16.357 -2.071 5.345
496 2HG GLN 69 2HG GLN 69 14.748 -1.953 4.635
497 1HE2 GLN 69 1HE2 GLN 69 13.743 -3.816 4.620
498 2HE2 GLN 69 2HE2 GLN 69 14.459 -5.366 4.358
499 H SER 70 H SER 70 15.619 0.328 1.030
500 HA SER 70 HA SER 70 18.067 0.597 -0.317
501 1HB SER 70 1HB SER 70 15.360 1.745 -1.055
502 2HB SER 70 2HB SER 70 16.735 1.581 -2.148
503 HG SER 70 HG SER 70 16.228 -0.769 -0.950
504 H GLN 71 H GLN 71 16.052 2.854 1.415
505 HA GLN 71 HA GLN 71 17.428 5.213 0.544
506 1HB GLN 71 1HB GLN 71 15.565 4.782 2.881
507 2HB GLN 71 2HB GLN 71 16.100 6.345 2.278
508 1HG GLN 71 1HG GLN 71 14.547 4.350 0.661
509 2HG GLN 71 2HG GLN 71 13.822 5.686 1.552
510 1HE2 GLN 71 1HE2 GLN 71 14.681 4.743 -1.408
511 2HE2 GLN 71 2HE2 GLN 71 15.023 6.267 -2.140
512 H LYS 72 H LYS 72 19.258 3.289 1.512
513 HA LYS 72 HA LYS 72 20.464 4.816 3.686
514 1HB LYS 72 1HB LYS 72 20.027 1.832 3.769
515 2HB LYS 72 2HB LYS 72 21.074 2.714 4.870
516 1HG LYS 72 1HG LYS 72 18.112 3.164 4.577
517 2HG LYS 72 2HG LYS 72 18.872 2.192 5.838
518 1HD LYS 72 1HD LYS 72 20.108 4.175 6.599
519 2HD LYS 72 2HD LYS 72 19.307 5.139 5.357
520 1HE LYS 72 1HE LYS 72 17.138 4.644 6.376
521 2HE LYS 72 2HE LYS 72 17.939 3.677 7.614
522 1HZ LYS 72 1HZ LYS 72 19.185 5.746 8.215
523 2HZ LYS 72 2HZ LYS 72 18.146 6.604 7.194
524 3HZ LYS 72 3HZ LYS 72 17.525 5.793 8.542
525 H THR 73 H THR 73 20.835 2.171 1.332
526 HA THR 73 HA THR 73 23.590 1.880 1.361
527 HB THR 73 HB THR 73 22.186 0.420 0.000
528 HG1 THR 73 HG1 THR 73 24.336 0.591 -0.683
529 1HG2 THR 73 1HG2 THR 73 20.656 2.336 -0.724
530 2HG2 THR 73 2HG2 THR 73 21.850 2.661 -1.979
531 3HG2 THR 73 3HG2 THR 73 21.023 1.104 -1.930
532 H ALA 74 H ALA 74 21.608 4.411 0.210
533 HA ALA 74 HA ALA 74 23.907 6.109 -0.291
534 1HB ALA 74 1HB ALA 74 23.576 5.371 -2.516
535 2HB ALA 74 2HB ALA 74 22.789 6.946 -2.422
536 3HB ALA 74 3HB ALA 74 21.822 5.472 -2.371
537 H HIS 75 H HIS 75 22.229 6.038 1.852
538 HA HIS 75 HA HIS 75 19.891 7.419 1.919
539 1HB HIS 75 1HB HIS 75 21.006 6.361 3.867
540 2HB HIS 75 2HB HIS 75 22.133 7.711 3.929
541 HD1 HIS 75 HD1 HIS 75 20.897 7.605 6.455
542 HD2 HIS 75 HD2 HIS 75 18.785 9.239 3.270
543 HE1 HIS 75 HE1 HIS 75 19.087 9.005 7.495
544 HE2 HIS 75 HE2 HIS 75 17.874 10.050 5.551
545 H GLU 76 H GLU 76 19.252 9.419 1.419
546 HA GLU 76 HA GLU 76 19.302 11.578 0.704
547 1HB GLU 76 1HB GLU 76 19.942 11.731 3.176
548 2HB GLU 76 2HB GLU 76 21.598 11.949 2.627
549 1HG GLU 76 1HG GLU 76 20.922 13.948 1.391
550 2HG GLU 76 2HG GLU 76 19.264 13.729 1.950
551 H THR 77 H THR 77 22.124 13.017 1.005
552 HA THR 77 HA THR 77 22.852 12.604 -1.739
553 HB THR 77 HB THR 77 24.237 14.234 0.400
554 HG1 THR 77 HG1 THR 77 22.115 14.732 -1.367
555 1HG2 THR 77 1HG2 THR 77 25.426 13.459 -1.848
556 2HG2 THR 77 2HG2 THR 77 24.506 14.814 -2.503
557 3HG2 THR 77 3HG2 THR 77 25.649 15.079 -1.187
558 H ASP 78 H ASP 78 24.296 11.205 -2.518
559 HA ASP 78 HA ASP 78 26.741 10.532 -1.341
560 1HB ASP 78 1HB ASP 78 25.386 9.347 0.328
561 2HB ASP 78 2HB ASP 78 24.595 8.432 -0.953
562 H LYS 79 H LYS 79 28.035 9.645 -2.843
563 HA LYS 79 HA LYS 79 28.764 8.762 -4.801
564 1HB LYS 79 1HB LYS 79 27.582 6.749 -4.055
565 2HB LYS 79 2HB LYS 79 26.094 7.343 -4.777
566 1HG LYS 79 1HG LYS 79 27.095 7.211 -6.990
567 2HG LYS 79 2HG LYS 79 28.615 6.662 -6.280
568 1HD LYS 79 1HD LYS 79 27.382 4.766 -7.142
569 2HD LYS 79 2HD LYS 79 27.443 4.683 -5.380
570 1HE LYS 79 1HE LYS 79 25.219 4.118 -6.190
571 2HE LYS 79 2HE LYS 79 25.181 5.617 -5.264
572 1HZ LYS 79 1HZ LYS 79 25.539 5.829 -8.156
573 2HZ LYS 79 2HZ LYS 79 24.003 5.391 -7.594
574 3HZ LYS 79 3HZ LYS 79 24.705 6.847 -7.092
575 H SER 80 H SER 80 28.893 9.482 -6.852
576 HA SER 80 HA SER 80 27.316 11.636 -7.694
577 1HB SER 80 1HB SER 80 28.476 11.388 -9.867
578 2HB SER 80 2HB SER 80 29.597 11.298 -8.508
579 HG SER 80 HG SER 80 29.946 9.654 -10.093
580 H1 ALA 1 H1 ALA 1 -2.639 -15.296 7.894
581 H2 ALA 1 H2 ALA 1 -2.989 -16.371 9.152
582 H3 ALA 1 H3 ALA 1 -3.626 -14.804 9.176
583 HA ALA 1 HA ALA 1 -1.663 -13.827 9.757
584 1HB ALA 1 1HB ALA 1 -1.235 -14.753 11.762
585 2HB ALA 1 2HB ALA 1 -0.890 -16.340 11.075
586 3HB ALA 1 3HB ALA 1 -2.560 -15.835 11.328
587 H ARG 2 H ARG 2 0.431 -13.435 9.284
588 HA ARG 2 HA ARG 2 2.435 -13.574 8.229
589 1HB ARG 2 1HB ARG 2 2.694 -15.421 9.919
590 2HB ARG 2 2HB ARG 2 2.199 -16.555 8.672
591 1HG ARG 2 1HG ARG 2 4.604 -16.542 8.890
592 2HG ARG 2 2HG ARG 2 4.136 -15.896 7.317
593 1HD ARG 2 1HD ARG 2 4.434 -13.619 8.166
594 2HD ARG 2 2HD ARG 2 4.901 -14.266 9.738
595 HE ARG 2 HE ARG 2 7.000 -14.493 8.903
596 1HH1 ARG 2 1HH1 ARG 2 4.767 -14.664 6.228
597 2HH1 ARG 2 2HH1 ARG 2 6.012 -14.853 5.039
598 1HH2 ARG 2 1HH2 ARG 2 8.638 -14.735 7.339
599 2HH2 ARG 2 2HH2 ARG 2 8.206 -14.892 5.669
600 H THR 3 H THR 3 2.642 -16.554 6.842
601 HA THR 3 HA THR 3 2.647 -17.239 4.678
602 HB THR 3 HB THR 3 0.493 -17.167 3.515
603 HG1 THR 3 HG1 THR 3 -1.084 -15.820 4.106
604 1HG2 THR 3 1HG2 THR 3 0.953 -18.216 6.128
605 2HG2 THR 3 2HG2 THR 3 -0.737 -17.732 6.001
606 3HG2 THR 3 3HG2 THR 3 -0.056 -18.870 4.837
607 H GLN 5 H GLN 5 3.301 -12.038 1.511
608 HA GLN 5 HA GLN 5 2.093 -10.441 3.448
609 1HB GLN 5 1HB GLN 5 3.471 -9.606 0.890
610 2HB GLN 5 2HB GLN 5 3.086 -8.524 2.221
611 1HG GLN 5 1HG GLN 5 4.921 -10.905 2.376
612 2HG GLN 5 2HG GLN 5 5.426 -9.222 2.241
613 1HE2 GLN 5 1HE2 GLN 5 5.979 -8.304 4.069
614 2HE2 GLN 5 2HE2 GLN 5 5.403 -8.725 5.642
615 H THR 6 H THR 6 0.579 -8.723 3.301
616 HA THR 6 HA THR 6 -1.047 -8.552 0.886
617 HB THR 6 HB THR 6 -3.163 -8.807 2.169
618 HG1 THR 6 HG1 THR 6 -3.133 -9.347 4.257
619 1HG2 THR 6 1HG2 THR 6 -1.674 -10.748 1.032
620 2HG2 THR 6 2HG2 THR 6 -1.811 -11.381 2.672
621 3HG2 THR 6 3HG2 THR 6 -3.265 -11.025 1.739
622 H ALA 7 H ALA 7 -2.988 -6.972 1.451
623 HA ALA 7 HA ALA 7 -2.678 -4.954 3.368
624 1HB ALA 7 1HB ALA 7 -0.998 -3.740 2.529
625 2HB ALA 7 2HB ALA 7 -1.010 -4.639 1.009
626 3HB ALA 7 3HB ALA 7 -2.111 -3.281 1.237
627 H ARG 8 H ARG 8 -4.665 -4.194 3.584
628 HA ARG 8 HA ARG 8 -6.640 -4.651 1.544
629 1HB ARG 8 1HB ARG 8 -6.900 -3.265 4.213
630 2HB ARG 8 2HB ARG 8 -8.227 -3.805 3.194
631 1HG ARG 8 1HG ARG 8 -7.530 -6.118 3.484
632 2HG ARG 8 2HG ARG 8 -6.172 -5.590 4.479
633 1HD ARG 8 1HD ARG 8 -9.100 -5.216 5.102
634 2HD ARG 8 2HD ARG 8 -8.005 -6.360 5.877
635 HE ARG 8 HE ARG 8 -6.947 -3.780 6.151
636 1HH1 ARG 8 1HH1 ARG 8 -9.640 -5.688 7.271
637 2HH1 ARG 8 2HH1 ARG 8 -9.793 -4.825 8.766
638 1HH2 ARG 8 1HH2 ARG 8 -7.146 -2.639 8.114
639 2HH2 ARG 8 2HH2 ARG 8 -8.377 -3.092 9.243
640 H SER 10 H SER 10 -6.938 1.359 0.062
641 HA SER 10 HA SER 10 -7.783 1.947 2.657
642 1HB SER 10 1HB SER 10 -7.823 4.306 1.918
643 2HB SER 10 2HB SER 10 -6.374 3.473 1.355
644 HG SER 10 HG SER 10 -7.704 4.834 -0.184
645 H THR 11 H THR 11 -9.759 1.331 3.325
646 HA THR 11 HA THR 11 -12.020 1.221 3.541
647 HB THR 11 HB THR 11 -12.114 3.679 1.796
648 HG1 THR 11 HG1 THR 11 -11.161 3.296 4.376
649 1HG2 THR 11 1HG2 THR 11 -13.997 2.324 3.657
650 2HG2 THR 11 2HG2 THR 11 -14.010 4.087 3.608
651 3HG2 THR 11 3HG2 THR 11 -14.319 3.161 2.139
652 H GLY 12 H GLY 12 -11.221 -0.574 1.770
653 1HA GLY 12 1HA GLY 12 -11.948 -1.899 0.039
654 2HA GLY 12 2HA GLY 12 -12.129 -0.403 -0.866
655 H GLY 13 H GLY 13 -14.058 -0.639 -1.860
656 1HA GLY 13 1HA GLY 13 -16.442 -0.213 -0.502
657 2HA GLY 13 2HA GLY 13 -16.294 -1.951 -0.702
658 H LYS 14 H LYS 14 -15.294 -2.292 -3.161
659 HA LYS 14 HA LYS 14 -16.605 -0.638 -5.112
660 1HB LYS 14 1HB LYS 14 -15.214 -3.302 -5.442
661 2HB LYS 14 2HB LYS 14 -15.707 -2.237 -6.749
662 1HG LYS 14 1HG LYS 14 -13.678 -1.576 -4.624
663 2HG LYS 14 2HG LYS 14 -13.317 -2.069 -6.278
664 1HD LYS 14 1HD LYS 14 -14.494 -0.084 -7.117
665 2HD LYS 14 2HD LYS 14 -14.833 0.409 -5.456
666 1HE LYS 14 1HE LYS 14 -12.100 0.095 -6.697
667 2HE LYS 14 2HE LYS 14 -12.918 1.621 -6.362
668 1HZ LYS 14 1HZ LYS 14 -12.904 0.176 -3.993
669 2HZ LYS 14 2HZ LYS 14 -11.343 0.048 -4.633
670 3HZ LYS 14 3HZ LYS 14 -12.021 1.571 -4.354
671 H ALA 15 H ALA 15 -18.591 -1.411 -3.495
672 HA ALA 15 HA ALA 15 -19.891 -3.818 -3.991
673 1HB ALA 15 1HB ALA 15 -20.804 -1.126 -3.084
674 2HB ALA 15 2HB ALA 15 -20.772 -2.657 -2.209
675 3HB ALA 15 3HB ALA 15 -21.996 -2.372 -3.447
676 HA PRO 16 HA PRO 16 -21.176 -3.453 -8.228
677 1HB PRO 16 1HB PRO 16 -23.205 -5.289 -8.159
678 2HB PRO 16 2HB PRO 16 -21.494 -5.720 -8.267
679 1HG PRO 16 1HG PRO 16 -23.286 -5.664 -5.873
680 2HG PRO 16 2HG PRO 16 -22.070 -6.868 -6.334
681 1HD PRO 16 1HD PRO 16 -21.585 -4.998 -4.459
682 2HD PRO 16 2HD PRO 16 -20.314 -5.577 -5.557
683 H GLY 17 H GLY 17 -22.696 -2.344 -9.380
684 1HA GLY 17 1HA GLY 17 -24.308 -0.705 -9.627
685 2HA GLY 17 2HA GLY 17 -24.576 -0.761 -7.893
686 H GLY 18 H GLY 18 -25.328 -3.396 -7.527
687 1HA GLY 18 1HA GLY 18 -28.053 -3.311 -8.235
688 2HA GLY 18 2HA GLY 18 -27.217 -4.699 -7.556
No H/Q in entry = 688
Start of MODEL 14
1 H1 HIS 8 H1 HIS 8 -30.056 3.262 1.850
2 H2 HIS 8 H2 HIS 8 -31.715 3.380 1.531
3 H3 HIS 8 H3 HIS 8 -31.012 4.342 2.733
4 HA HIS 8 HA HIS 8 -30.534 2.431 4.079
5 1HB HIS 8 1HB HIS 8 -32.741 3.574 4.229
6 2HB HIS 8 2HB HIS 8 -33.393 2.411 3.079
7 HD1 HIS 8 HD1 HIS 8 -32.851 -0.238 4.032
8 HD2 HIS 8 HD2 HIS 8 -33.379 2.867 6.742
9 HE1 HIS 8 HE1 HIS 8 -33.448 -1.341 6.211
10 HE2 HIS 8 HE2 HIS 8 -33.659 0.552 7.859
11 H MET 9 H MET 9 -32.028 1.620 0.985
12 HA MET 9 HA MET 9 -30.607 -0.851 0.830
13 1HB MET 9 1HB MET 9 -32.489 -1.435 2.380
14 2HB MET 9 2HB MET 9 -33.615 -1.036 1.093
15 1HG MET 9 1HG MET 9 -32.661 -2.804 -0.293
16 2HG MET 9 2HG MET 9 -31.529 -3.203 0.998
17 1HE MET 9 1HE MET 9 -32.451 -5.338 0.081
18 2HE MET 9 2HE MET 9 -33.152 -6.236 1.426
19 3HE MET 9 3HE MET 9 -34.159 -5.770 0.055
20 H VAL 10 H VAL 10 -30.645 1.365 -0.794
21 HA VAL 10 HA VAL 10 -32.458 1.225 -2.954
22 HB VAL 10 HB VAL 10 -31.138 3.237 -2.500
23 1HG1 VAL 10 1HG1 VAL 10 -29.022 1.610 -2.121
24 2HG1 VAL 10 2HG1 VAL 10 -28.691 2.182 -3.756
25 3HG1 VAL 10 3HG1 VAL 10 -28.887 3.340 -2.440
26 1HG2 VAL 10 1HG2 VAL 10 -32.041 2.860 -4.749
27 2HG2 VAL 10 2HG2 VAL 10 -30.537 3.781 -4.792
28 3HG2 VAL 10 3HG2 VAL 10 -30.535 2.069 -5.216
29 H GLU 11 H GLU 11 -29.316 -0.257 -2.371
30 HA GLU 11 HA GLU 11 -29.831 -2.377 -4.189
31 1HB GLU 11 1HB GLU 11 -29.260 -0.668 -5.847
32 2HB GLU 11 2HB GLU 11 -27.746 -0.347 -5.012
33 1HG GLU 11 1HG GLU 11 -26.981 -2.607 -5.510
34 2HG GLU 11 2HG GLU 11 -28.506 -2.946 -6.328
35 H GLU 12 H GLU 12 -27.171 -0.527 -2.705
36 HA GLU 12 HA GLU 12 -25.542 -2.815 -2.250
37 1HB GLU 12 1HB GLU 12 -24.200 -1.306 -0.829
38 2HB GLU 12 2HB GLU 12 -24.554 -0.602 -2.401
39 1HG GLU 12 1HG GLU 12 -26.350 0.725 -1.393
40 2HG GLU 12 2HG GLU 12 -25.961 0.035 0.181
41 H VAL 13 H VAL 13 -25.390 -4.151 -0.516
42 HA VAL 13 HA VAL 13 -27.579 -4.141 1.354
43 HB VAL 13 HB VAL 13 -26.680 -6.231 0.347
44 1HG1 VAL 13 1HG1 VAL 13 -24.217 -5.221 1.112
45 2HG1 VAL 13 2HG1 VAL 13 -24.493 -6.579 2.203
46 3HG1 VAL 13 3HG1 VAL 13 -24.545 -6.826 0.458
47 1HG2 VAL 13 1HG2 VAL 13 -27.352 -5.761 3.101
48 2HG2 VAL 13 2HG2 VAL 13 -27.769 -7.124 2.062
49 3HG2 VAL 13 3HG2 VAL 13 -26.252 -7.132 2.960
50 H LEU 14 H LEU 14 -25.843 -1.890 1.569
51 HA LEU 14 HA LEU 14 -24.631 -0.658 3.068
52 1HB LEU 14 1HB LEU 14 -26.289 -2.327 4.956
53 2HB LEU 14 2HB LEU 14 -25.432 -0.863 5.402
54 HG LEU 14 HG LEU 14 -27.697 -1.023 3.409
55 1HD1 LEU 14 1HD1 LEU 14 -28.298 -1.391 5.816
56 2HD1 LEU 14 2HD1 LEU 14 -27.689 0.231 6.144
57 3HD1 LEU 14 3HD1 LEU 14 -29.061 0.007 5.058
58 1HD2 LEU 14 1HD2 LEU 14 -25.683 0.858 3.558
59 2HD2 LEU 14 2HD2 LEU 14 -27.266 1.082 2.813
60 3HD2 LEU 14 3HD2 LEU 14 -26.998 1.583 4.483
61 H GLU 15 H GLU 15 -23.927 -1.407 5.756
62 HA GLU 15 HA GLU 15 -22.130 -2.202 6.897
63 1HB GLU 15 1HB GLU 15 -22.607 -4.620 5.147
64 2HB GLU 15 2HB GLU 15 -21.603 -4.596 6.590
65 1HG GLU 15 1HG GLU 15 -24.551 -3.996 6.541
66 2HG GLU 15 2HG GLU 15 -23.845 -5.555 6.960
67 H GLU 16 H GLU 16 -21.682 -0.754 4.356
68 HA GLU 16 HA GLU 16 -20.078 -0.399 2.737
69 1HB GLU 16 1HB GLU 16 -17.893 0.087 3.775
70 2HB GLU 16 2HB GLU 16 -19.236 0.767 4.681
71 1HG GLU 16 1HG GLU 16 -19.089 -1.090 6.273
72 2HG GLU 16 2HG GLU 16 -17.722 -1.742 5.370
73 H GLU 17 H GLU 17 -17.225 -1.464 3.375
74 HA GLU 17 HA GLU 17 -17.259 -4.253 3.046
75 1HB GLU 17 1HB GLU 17 -16.734 -4.519 0.716
76 2HB GLU 17 2HB GLU 17 -18.251 -3.646 0.849
77 1HG GLU 17 1HG GLU 17 -15.580 -2.361 0.329
78 2HG GLU 17 2HG GLU 17 -16.745 -2.797 -0.918
79 H GLU 18 H GLU 18 -15.281 -5.068 3.397
80 HA GLU 18 HA GLU 18 -12.900 -3.482 2.877
81 1HB GLU 18 1HB GLU 18 -13.633 -4.454 5.619
82 2HB GLU 18 2HB GLU 18 -12.068 -3.795 5.187
83 1HG GLU 18 1HG GLU 18 -13.123 -1.658 4.651
84 2HG GLU 18 2HG GLU 18 -14.694 -2.325 5.091
85 H GLU 19 H GLU 19 -11.205 -4.771 2.289
86 HA GLU 19 HA GLU 19 -10.977 -7.487 3.214
87 1HB GLU 19 1HB GLU 19 -12.622 -7.797 1.464
88 2HB GLU 19 2HB GLU 19 -11.627 -6.889 0.332
89 1HG GLU 19 1HG GLU 19 -9.909 -8.634 0.461
90 2HG GLU 19 2HG GLU 19 -10.932 -9.546 1.569
91 H GLU 20 H GLU 20 -8.909 -8.233 3.081
92 HA GLU 20 HA GLU 20 -6.861 -6.365 2.347
93 1HB GLU 20 1HB GLU 20 -6.614 -9.254 3.207
94 2HB GLU 20 2HB GLU 20 -5.299 -8.094 3.107
95 1HG GLU 20 1HG GLU 20 -6.293 -6.760 4.854
96 2HG GLU 20 2HG GLU 20 -7.681 -7.846 4.925
97 H TYR 21 H TYR 21 -5.632 -6.302 0.560
98 HA TYR 21 HA TYR 21 -6.122 -8.355 -1.490
99 1HB TYR 21 1HB TYR 21 -5.567 -5.407 -1.711
100 2HB TYR 21 2HB TYR 21 -5.302 -6.491 -3.074
101 HD1 TYR 21 HD1 TYR 21 -6.978 -6.329 -4.637
102 HD2 TYR 21 HD2 TYR 21 -8.013 -6.100 -0.517
103 HE1 TYR 21 HE1 TYR 21 -9.351 -6.142 -5.249
104 HE2 TYR 21 HE2 TYR 21 -10.390 -5.914 -1.119
105 HH TYR 21 HH TYR 21 -11.884 -6.258 -2.847
106 H VAL 22 H VAL 22 -4.429 -9.327 -2.513
107 HA VAL 22 HA VAL 22 -2.009 -9.649 -1.195
108 HB VAL 22 HB VAL 22 -2.528 -10.057 -4.147
109 1HG1 VAL 22 1HG1 VAL 22 -0.303 -10.865 -2.322
110 2HG1 VAL 22 2HG1 VAL 22 -0.733 -11.886 -3.694
111 3HG1 VAL 22 3HG1 VAL 22 -0.231 -10.217 -3.961
112 1HG2 VAL 22 1HG2 VAL 22 -3.775 -11.286 -2.000
113 2HG2 VAL 22 2HG2 VAL 22 -3.701 -11.888 -3.656
114 3HG2 VAL 22 3HG2 VAL 22 -2.511 -12.422 -2.469
115 H VAL 23 H VAL 23 0.005 -8.744 -1.356
116 HA VAL 23 HA VAL 23 0.276 -6.415 -3.141
117 HB VAL 23 HB VAL 23 1.301 -6.618 -0.308
118 1HG1 VAL 23 1HG1 VAL 23 1.972 -4.876 -2.535
119 2HG1 VAL 23 2HG1 VAL 23 1.435 -3.985 -1.110
120 3HG1 VAL 23 3HG1 VAL 23 2.790 -5.106 -0.989
121 1HG2 VAL 23 1HG2 VAL 23 -1.215 -6.268 -0.731
122 2HG2 VAL 23 2HG2 VAL 23 -0.384 -5.160 0.360
123 3HG2 VAL 23 3HG2 VAL 23 -0.744 -4.664 -1.295
124 H GLU 24 H GLU 24 2.082 -6.304 -4.316
125 HA GLU 24 HA GLU 24 4.004 -8.464 -4.121
126 1HB GLU 24 1HB GLU 24 3.180 -7.757 -6.325
127 2HB GLU 24 2HB GLU 24 3.833 -6.147 -6.058
128 1HG GLU 24 1HG GLU 24 6.092 -7.077 -5.984
129 2HG GLU 24 2HG GLU 24 5.434 -8.689 -6.255
130 H LYS 25 H LYS 25 4.070 -4.903 -4.034
131 HA LYS 25 HA LYS 25 5.902 -4.710 -1.922
132 1HB LYS 25 1HB LYS 25 7.530 -5.661 -3.463
133 2HB LYS 25 2HB LYS 25 7.139 -4.443 -4.668
134 1HG LYS 25 1HG LYS 25 7.993 -2.700 -3.168
135 2HG LYS 25 2HG LYS 25 8.415 -3.941 -1.986
136 1HD LYS 25 1HD LYS 25 9.953 -4.954 -3.579
137 2HD LYS 25 2HD LYS 25 9.505 -3.755 -4.794
138 1HE LYS 25 1HE LYS 25 11.615 -3.164 -3.732
139 2HE LYS 25 2HE LYS 25 10.368 -1.976 -3.356
140 1HZ LYS 25 1HZ LYS 25 10.138 -3.717 -1.316
141 2HZ LYS 25 2HZ LYS 25 11.806 -3.752 -1.599
142 3HZ LYS 25 3HZ LYS 25 11.037 -2.284 -1.261
143 H VAL 26 H VAL 26 6.010 -2.607 -1.189
144 HA VAL 26 HA VAL 26 4.240 -0.720 -2.322
145 HB VAL 26 HB VAL 26 4.860 0.790 -0.631
146 1HG1 VAL 26 1HG1 VAL 26 4.890 -2.054 0.154
147 2HG1 VAL 26 2HG1 VAL 26 5.357 -0.875 1.380
148 3HG1 VAL 26 3HG1 VAL 26 3.780 -0.758 0.601
149 1HG2 VAL 26 1HG2 VAL 26 7.434 -0.724 -0.331
150 2HG2 VAL 26 2HG2 VAL 26 7.229 0.893 -1.012
151 3HG2 VAL 26 3HG2 VAL 26 6.901 0.606 0.697
152 H LEU 27 H LEU 27 4.530 0.873 -3.769
153 HA LEU 27 HA LEU 27 7.035 0.885 -5.190
154 1HB LEU 27 1HB LEU 27 4.465 2.346 -5.755
155 2HB LEU 27 2HB LEU 27 5.861 2.316 -6.816
156 HG LEU 27 HG LEU 27 4.170 -0.067 -6.044
157 1HD1 LEU 27 1HD1 LEU 27 3.235 1.658 -7.672
158 2HD1 LEU 27 2HD1 LEU 27 4.502 1.126 -8.778
159 3HD1 LEU 27 3HD1 LEU 27 3.287 -0.020 -8.211
160 1HD2 LEU 27 1HD2 LEU 27 6.836 0.155 -7.204
161 2HD2 LEU 27 2HD2 LEU 27 6.010 -1.243 -6.515
162 3HD2 LEU 27 3HD2 LEU 27 5.719 -0.785 -8.194
163 H ASP 28 H ASP 28 5.207 3.143 -3.159
164 HA ASP 28 HA ASP 28 7.592 4.660 -2.688
165 1HB ASP 28 1HB ASP 28 7.044 5.561 -4.884
166 2HB ASP 28 2HB ASP 28 5.420 5.962 -4.336
167 H ARG 29 H ARG 29 7.467 6.046 -0.969
168 HA ARG 29 HA ARG 29 4.993 5.891 0.605
169 1HB ARG 29 1HB ARG 29 6.946 5.031 1.738
170 2HB ARG 29 2HB ARG 29 7.849 6.497 1.385
171 1HG ARG 29 1HG ARG 29 6.287 7.763 2.815
172 2HG ARG 29 2HG ARG 29 5.475 6.249 3.219
173 1HD ARG 29 1HD ARG 29 7.072 6.892 4.952
174 2HD ARG 29 2HD ARG 29 7.539 5.381 4.175
175 HE ARG 29 HE ARG 29 9.491 6.393 3.606
176 1HH1 ARG 29 1HH1 ARG 29 7.063 8.872 3.957
177 2HH1 ARG 29 2HH1 ARG 29 8.158 10.170 3.609
178 1HH2 ARG 29 1HH2 ARG 29 10.935 8.095 3.151
179 2HH2 ARG 29 2HH2 ARG 29 10.357 9.728 3.151
180 H ARG 30 H ARG 30 3.866 7.690 1.195
181 HA ARG 30 HA ARG 30 5.059 10.316 1.007
182 1HB ARG 30 1HB ARG 30 3.449 11.242 -0.553
183 2HB ARG 30 2HB ARG 30 4.323 9.920 -1.315
184 1HG ARG 30 1HG ARG 30 2.431 8.445 -0.983
185 2HG ARG 30 2HG ARG 30 1.562 9.722 -0.129
186 1HD ARG 30 1HD ARG 30 2.465 9.825 -3.006
187 2HD ARG 30 2HD ARG 30 0.821 9.502 -2.459
188 HE ARG 30 HE ARG 30 1.661 11.939 -1.364
189 1HH1 ARG 30 1HH1 ARG 30 0.878 10.546 -4.463
190 2HH1 ARG 30 2HH1 ARG 30 0.348 12.046 -5.147
191 1HH2 ARG 30 1HH2 ARG 30 0.965 13.918 -2.260
192 2HH2 ARG 30 2HH2 ARG 30 0.398 13.962 -3.896
193 H VAL 31 H VAL 31 4.214 11.666 2.473
194 HA VAL 31 HA VAL 31 1.986 10.699 4.075
195 HB VAL 31 HB VAL 31 3.987 12.909 4.511
196 1HG1 VAL 31 1HG1 VAL 31 1.375 12.411 5.871
197 2HG1 VAL 31 2HG1 VAL 31 2.745 13.001 6.814
198 3HG1 VAL 31 3HG1 VAL 31 2.144 13.941 5.447
199 1HG2 VAL 31 1HG2 VAL 31 4.074 10.236 5.075
200 2HG2 VAL 31 2HG2 VAL 31 5.002 11.482 5.911
201 3HG2 VAL 31 3HG2 VAL 31 3.471 10.920 6.587
202 H VAL 32 H VAL 32 0.107 11.786 4.428
203 HA VAL 32 HA VAL 32 -0.410 14.314 3.110
204 HB VAL 32 HB VAL 32 -0.963 12.848 1.302
205 1HG1 VAL 32 1HG1 VAL 32 -1.892 11.108 3.436
206 2HG1 VAL 32 2HG1 VAL 32 -3.025 11.202 2.088
207 3HG1 VAL 32 3HG1 VAL 32 -1.352 10.714 1.804
208 1HG2 VAL 32 1HG2 VAL 32 -3.437 13.738 2.776
209 2HG2 VAL 32 2HG2 VAL 32 -2.528 14.642 1.564
210 3HG2 VAL 32 3HG2 VAL 32 -3.423 13.195 1.098
211 H LYS 33 H LYS 33 -1.543 15.525 4.463
212 HA LYS 33 HA LYS 33 -2.871 16.199 6.184
213 1HB LYS 33 1HB LYS 33 -4.248 13.517 5.991
214 2HB LYS 33 2HB LYS 33 -4.907 15.016 6.630
215 1HG LYS 33 1HG LYS 33 -4.732 15.977 4.330
216 2HG LYS 33 2HG LYS 33 -4.282 14.367 3.764
217 1HD LYS 33 1HD LYS 33 -6.847 15.027 5.206
218 2HD LYS 33 2HD LYS 33 -6.687 14.876 3.456
219 1HE LYS 33 1HE LYS 33 -5.928 12.550 3.753
220 2HE LYS 33 2HE LYS 33 -6.168 12.712 5.492
221 1HZ LYS 33 1HZ LYS 33 -8.553 13.469 4.581
222 2HZ LYS 33 2HZ LYS 33 -8.122 12.363 3.376
223 3HZ LYS 33 3HZ LYS 33 -8.178 11.873 4.994
224 H GLY 34 H GLY 34 -0.382 14.922 6.747
225 1HA GLY 34 1HA GLY 34 -0.788 14.318 9.532
226 2HA GLY 34 2HA GLY 34 0.753 14.352 8.685
227 H LYS 35 H LYS 35 -1.724 12.484 7.279
228 HA LYS 35 HA LYS 35 -1.331 10.022 8.618
229 1HB LYS 35 1HB LYS 35 -2.429 10.603 5.867
230 2HB LYS 35 2HB LYS 35 -2.603 9.089 6.741
231 1HG LYS 35 1HG LYS 35 -3.967 10.121 8.404
232 2HG LYS 35 2HG LYS 35 -3.650 11.724 7.739
233 1HD LYS 35 1HD LYS 35 -4.882 11.231 5.757
234 2HD LYS 35 2HD LYS 35 -5.016 9.523 6.199
235 1HE LYS 35 1HE LYS 35 -6.340 10.180 8.178
236 2HE LYS 35 2HE LYS 35 -6.264 11.858 7.644
237 1HZ LYS 35 1HZ LYS 35 -7.179 10.376 5.488
238 2HZ LYS 35 2HZ LYS 35 -8.043 9.823 6.833
239 3HZ LYS 35 3HZ LYS 35 -8.059 11.467 6.435
240 H VAL 36 H VAL 36 -1.157 8.439 6.207
241 HA VAL 36 HA VAL 36 1.309 8.884 4.885
242 HB VAL 36 HB VAL 36 2.233 8.274 7.077
243 1HG1 VAL 36 1HG1 VAL 36 0.325 6.864 7.800
244 2HG1 VAL 36 2HG1 VAL 36 0.889 5.604 6.701
245 3HG1 VAL 36 3HG1 VAL 36 1.898 6.108 8.056
246 1HG2 VAL 36 1HG2 VAL 36 3.266 7.582 4.840
247 2HG2 VAL 36 2HG2 VAL 36 3.846 6.773 6.296
248 3HG2 VAL 36 3HG2 VAL 36 2.703 5.957 5.231
249 H GLU 37 H GLU 37 1.361 7.711 3.051
250 HA GLU 37 HA GLU 37 -0.228 5.255 2.876
251 1HB GLU 37 1HB GLU 37 -1.261 5.989 0.771
252 2HB GLU 37 2HB GLU 37 -1.724 7.019 2.120
253 1HG GLU 37 1HG GLU 37 -0.080 8.684 1.401
254 2HG GLU 37 2HG GLU 37 0.356 7.655 0.038
255 H TYR 38 H TYR 38 0.585 3.725 1.533
256 HA TYR 38 HA TYR 38 3.048 4.424 0.071
257 1HB TYR 38 1HB TYR 38 2.298 1.828 1.421
258 2HB TYR 38 2HB TYR 38 3.711 2.038 0.396
259 HD1 TYR 38 HD1 TYR 38 2.140 3.636 3.398
260 HD2 TYR 38 HD2 TYR 38 5.715 2.427 1.436
261 HE1 TYR 38 HE1 TYR 38 3.448 4.342 5.356
262 HE2 TYR 38 HE2 TYR 38 7.033 3.129 3.385
263 HH TYR 38 HH TYR 38 5.535 4.035 6.383
264 H LEU 39 H LEU 39 3.093 4.060 -2.052
265 HA LEU 39 HA LEU 39 0.823 3.180 -3.476
266 1HB LEU 39 1HB LEU 39 2.558 4.675 -4.416
267 2HB LEU 39 2HB LEU 39 3.706 3.351 -4.378
268 HG LEU 39 HG LEU 39 2.508 2.165 -6.086
269 1HD1 LEU 39 1HD1 LEU 39 0.255 3.085 -5.157
270 2HD1 LEU 39 2HD1 LEU 39 0.502 4.343 -6.367
271 3HD1 LEU 39 3HD1 LEU 39 0.408 2.652 -6.859
272 1HD2 LEU 39 1HD2 LEU 39 3.389 4.915 -6.462
273 2HD2 LEU 39 2HD2 LEU 39 3.765 3.466 -7.396
274 3HD2 LEU 39 3HD2 LEU 39 2.276 4.358 -7.712
275 H LEU 40 H LEU 40 0.457 1.148 -4.539
276 HA LEU 40 HA LEU 40 2.323 -0.996 -3.853
277 1HB LEU 40 1HB LEU 40 -0.579 -0.934 -3.047
278 2HB LEU 40 2HB LEU 40 0.408 -2.385 -3.014
279 HG LEU 40 HG LEU 40 1.053 0.118 -1.454
280 1HD1 LEU 40 1HD1 LEU 40 -0.564 -2.283 -0.757
281 2HD1 LEU 40 2HD1 LEU 40 0.440 -1.508 0.474
282 3HD1 LEU 40 3HD1 LEU 40 -0.824 -0.586 -0.343
283 1HD2 LEU 40 1HD2 LEU 40 2.547 -2.178 -2.116
284 2HD2 LEU 40 2HD2 LEU 40 2.979 -0.857 -1.028
285 3HD2 LEU 40 3HD2 LEU 40 2.140 -2.280 -0.402
286 H LYS 41 H LYS 41 2.597 -2.418 -5.408
287 HA LYS 41 HA LYS 41 1.013 -2.244 -7.817
288 1HB LYS 41 1HB LYS 41 3.442 -2.524 -7.976
289 2HB LYS 41 2HB LYS 41 3.339 -4.038 -7.088
290 1HG LYS 41 1HG LYS 41 3.610 -4.480 -9.441
291 2HG LYS 41 2HG LYS 41 2.008 -5.000 -8.917
292 1HD LYS 41 1HD LYS 41 1.836 -3.872 -11.049
293 2HD LYS 41 2HD LYS 41 1.069 -2.891 -9.799
294 1HE LYS 41 1HE LYS 41 2.411 -1.512 -11.297
295 2HE LYS 41 2HE LYS 41 3.067 -1.494 -9.661
296 1HZ LYS 41 1HZ LYS 41 4.086 -3.275 -11.804
297 2HZ LYS 41 2HZ LYS 41 4.741 -1.750 -11.475
298 3HZ LYS 41 3HZ LYS 41 4.794 -2.963 -10.297
299 H TRP 42 H TRP 42 -0.887 -3.258 -7.904
300 HA TRP 42 HA TRP 42 -1.343 -5.615 -6.272
301 1HB TRP 42 1HB TRP 42 -3.300 -4.201 -8.088
302 2HB TRP 42 2HB TRP 42 -3.671 -5.305 -6.765
303 HD1 TRP 42 HD1 TRP 42 -3.108 -1.681 -7.507
304 HE1 TRP 42 HE1 TRP 42 -3.185 -0.313 -5.332
305 HE3 TRP 42 HE3 TRP 42 -3.005 -5.516 -4.123
306 HZ2 TRP 42 HZ2 TRP 42 -3.187 -0.789 -2.556
307 HZ3 TRP 42 HZ3 TRP 42 -3.044 -4.971 -1.725
308 HH2 TRP 42 HH2 TRP 42 -3.134 -2.654 -0.958
309 H LYS 43 H LYS 43 -1.406 -7.641 -6.991
310 HA LYS 43 HA LYS 43 -0.466 -8.332 -9.543
311 1HB LYS 43 1HB LYS 43 -1.960 -10.004 -7.514
312 2HB LYS 43 2HB LYS 43 -1.143 -10.648 -8.930
313 1HG LYS 43 1HG LYS 43 0.991 -9.796 -8.083
314 2HG LYS 43 2HG LYS 43 0.164 -9.177 -6.652
315 1HD LYS 43 1HD LYS 43 -0.506 -11.444 -6.045
316 2HD LYS 43 2HD LYS 43 0.280 -12.073 -7.495
317 1HE LYS 43 1HE LYS 43 2.438 -11.267 -6.673
318 2HE LYS 43 2HE LYS 43 1.653 -10.632 -5.228
319 1HZ LYS 43 1HZ LYS 43 1.255 -13.459 -5.846
320 2HZ LYS 43 2HZ LYS 43 2.779 -12.999 -5.276
321 3HZ LYS 43 3HZ LYS 43 1.401 -12.692 -4.346
322 H GLY 44 H GLY 44 -1.452 -9.054 -11.385
323 1HA GLY 44 1HA GLY 44 -4.319 -9.397 -11.516
324 2HA GLY 44 2HA GLY 44 -3.184 -9.549 -12.851
325 H PHE 45 H PHE 45 -3.663 -6.805 -10.668
326 HA PHE 45 HA PHE 45 -5.185 -5.264 -12.497
327 1HB PHE 45 1HB PHE 45 -3.595 -4.472 -10.052
328 2HB PHE 45 2HB PHE 45 -4.602 -3.353 -10.963
329 HD1 PHE 45 HD1 PHE 45 -6.534 -2.849 -9.859
330 HD2 PHE 45 HD2 PHE 45 -5.061 -6.837 -9.670
331 HE1 PHE 45 HE1 PHE 45 -8.482 -3.501 -8.506
332 HE2 PHE 45 HE2 PHE 45 -7.008 -7.496 -8.320
333 HZ PHE 45 HZ PHE 45 -8.722 -5.828 -7.736
334 H SER 46 H SER 46 -4.584 -3.813 -14.018
335 HA SER 46 HA SER 46 -2.078 -3.995 -15.230
336 1HB SER 46 1HB SER 46 -4.120 -1.770 -15.444
337 2HB SER 46 2HB SER 46 -2.779 -2.034 -16.560
338 HG SER 46 HG SER 46 -3.711 -4.107 -17.004
339 H ASP 47 H ASP 47 -0.289 -2.648 -15.289
340 HA ASP 47 HA ASP 47 0.641 -1.585 -12.919
341 1HB ASP 47 1HB ASP 47 2.134 -2.154 -14.751
342 2HB ASP 47 2HB ASP 47 1.452 -0.871 -15.745
343 H GLU 48 H GLU 48 -1.018 0.069 -15.568
344 HA GLU 48 HA GLU 48 -0.699 2.690 -14.625
345 1HB GLU 48 1HB GLU 48 -2.913 1.498 -16.301
346 2HB GLU 48 2HB GLU 48 -2.625 3.216 -16.085
347 1HG GLU 48 1HG GLU 48 -0.426 2.978 -17.132
348 2HG GLU 48 2HG GLU 48 -0.734 1.258 -17.364
349 H ASP 49 H ASP 49 -2.966 0.164 -13.796
350 HA ASP 49 HA ASP 49 -4.802 1.849 -12.410
351 1HB ASP 49 1HB ASP 49 -4.403 -1.143 -12.407
352 2HB ASP 49 2HB ASP 49 -5.713 -0.326 -11.566
353 H ASN 50 H ASN 50 -2.189 2.368 -11.457
354 HA ASN 50 HA ASN 50 -1.656 1.013 -9.023
355 1HB ASN 50 1HB ASN 50 -0.750 3.644 -10.172
356 2HB ASN 50 2HB ASN 50 -0.293 3.155 -8.544
357 1HD2 ASN 50 1HD2 ASN 50 -0.510 0.304 -9.952
358 2HD2 ASN 50 2HD2 ASN 50 1.082 0.123 -10.593
359 H THR 51 H THR 51 -2.198 1.516 -6.917
360 HA THR 51 HA THR 51 -3.968 3.808 -6.471
361 HB THR 51 HB THR 51 -4.637 0.970 -5.668
362 HG1 THR 51 HG1 THR 51 -6.382 2.572 -7.142
363 1HG2 THR 51 1HG2 THR 51 -6.075 3.558 -5.071
364 2HG2 THR 51 2HG2 THR 51 -6.710 1.944 -4.751
365 3HG2 THR 51 3HG2 THR 51 -5.273 2.510 -3.901
366 H TRP 52 H TRP 52 -3.463 4.880 -4.682
367 HA TRP 52 HA TRP 52 -1.528 3.711 -2.840
368 1HB TRP 52 1HB TRP 52 -2.573 6.550 -2.968
369 2HB TRP 52 2HB TRP 52 -1.250 5.977 -1.992
370 HD1 TRP 52 HD1 TRP 52 -2.059 5.926 -5.718
371 HE1 TRP 52 HE1 TRP 52 0.088 6.513 -6.998
372 HE3 TRP 52 HE3 TRP 52 1.088 6.450 -1.771
373 HZ2 TRP 52 HZ2 TRP 52 2.781 7.136 -6.406
374 HZ3 TRP 52 HZ3 TRP 52 3.431 7.041 -2.193
375 HH2 TRP 52 HH2 TRP 52 4.267 7.375 -4.465
376 H GLU 53 H GLU 53 -1.841 3.680 -0.575
377 HA GLU 53 HA GLU 53 -4.483 4.255 0.469
378 1HB GLU 53 1HB GLU 53 -4.595 1.902 1.472
379 2HB GLU 53 2HB GLU 53 -4.989 2.079 -0.228
380 1HG GLU 53 1HG GLU 53 -2.290 1.223 0.768
381 2HG GLU 53 2HG GLU 53 -3.580 0.103 0.338
382 HA PRO 54 HA PRO 54 -2.205 5.350 4.075
383 1HB PRO 54 1HB PRO 54 -4.075 4.796 6.003
384 2HB PRO 54 2HB PRO 54 -4.108 6.242 4.988
385 1HG PRO 54 1HG PRO 54 -5.605 3.666 4.662
386 2HG PRO 54 2HG PRO 54 -6.197 5.329 4.493
387 1HD PRO 54 1HD PRO 54 -5.596 3.857 2.346
388 2HD PRO 54 2HD PRO 54 -5.218 5.594 2.397
389 H GLU 55 H GLU 55 -0.597 4.174 4.839
390 HA GLU 55 HA GLU 55 -0.282 1.481 4.924
391 1HB GLU 55 1HB GLU 55 1.543 3.029 5.337
392 2HB GLU 55 2HB GLU 55 0.831 3.521 6.867
393 1HG GLU 55 1HG GLU 55 1.143 1.205 7.695
394 2HG GLU 55 2HG GLU 55 1.978 0.824 6.190
395 H GLU 56 H GLU 56 -2.053 3.415 7.263
396 HA GLU 56 HA GLU 56 -2.154 1.804 9.474
397 1HB GLU 56 1HB GLU 56 -4.422 2.686 9.883
398 2HB GLU 56 2HB GLU 56 -3.302 3.947 9.388
399 1HG GLU 56 1HG GLU 56 -4.211 3.866 7.123
400 2HG GLU 56 2HG GLU 56 -5.332 2.600 7.619
401 H ASN 57 H ASN 57 -4.084 1.487 6.521
402 HA ASN 57 HA ASN 57 -5.395 -0.914 7.395
403 1HB ASN 57 1HB ASN 57 -5.200 0.395 4.671
404 2HB ASN 57 2HB ASN 57 -6.201 -1.011 5.027
405 1HD2 ASN 57 1HD2 ASN 57 -6.286 2.204 4.617
406 2HD2 ASN 57 2HD2 ASN 57 -7.664 2.603 5.580
407 H LEU 58 H LEU 58 -2.650 -0.057 5.398
408 HA LEU 58 HA LEU 58 -2.063 -2.479 4.197
409 1HB LEU 58 1HB LEU 58 -0.284 -0.241 5.150
410 2HB LEU 58 2HB LEU 58 0.338 -1.621 4.266
411 HG LEU 58 HG LEU 58 -1.060 -1.043 2.356
412 1HD1 LEU 58 1HD1 LEU 58 -2.345 0.698 4.257
413 2HD1 LEU 58 2HD1 LEU 58 -1.895 1.540 2.775
414 3HD1 LEU 58 3HD1 LEU 58 -2.915 0.104 2.698
415 1HD2 LEU 58 1HD2 LEU 58 0.767 1.048 3.447
416 2HD2 LEU 58 2HD2 LEU 58 1.054 -0.118 2.154
417 3HD2 LEU 58 3HD2 LEU 58 -0.025 1.252 1.883
418 H ASP 59 H ASP 59 -1.029 -4.306 4.783
419 HA ASP 59 HA ASP 59 -0.015 -4.505 7.537
420 1HB ASP 59 1HB ASP 59 -2.294 -5.496 7.373
421 2HB ASP 59 2HB ASP 59 -1.695 -6.603 6.142
422 H CYS 60 H CYS 60 1.805 -4.009 5.753
423 HA CYS 60 HA CYS 60 3.188 -6.554 5.412
424 1HB CYS 60 1HB CYS 60 3.837 -6.003 3.094
425 2HB CYS 60 2HB CYS 60 2.098 -6.220 3.261
426 HG CYS 60 HG CYS 60 1.372 -3.687 2.850
427 HA PRO 61 HA PRO 61 5.654 -2.786 7.013
428 1HB PRO 61 1HB PRO 61 6.346 -4.856 9.034
429 2HB PRO 61 2HB PRO 61 5.996 -3.138 9.256
430 1HG PRO 61 1HG PRO 61 4.204 -4.982 9.937
431 2HG PRO 61 2HG PRO 61 3.699 -3.461 9.175
432 1HD PRO 61 1HD PRO 61 3.948 -6.191 7.980
433 2HD PRO 61 2HD PRO 61 2.718 -4.943 7.693
434 H ASP 62 H ASP 62 6.349 -6.242 6.702
435 HA ASP 62 HA ASP 62 9.129 -6.144 6.658
436 1HB ASP 62 1HB ASP 62 7.886 -8.240 6.785
437 2HB ASP 62 2HB ASP 62 7.290 -8.008 5.145
438 H LEU 63 H LEU 63 6.863 -5.959 3.899
439 HA LEU 63 HA LEU 63 8.900 -5.588 1.965
440 1HB LEU 63 1HB LEU 63 6.009 -4.734 1.814
441 2HB LEU 63 2HB LEU 63 7.110 -4.899 0.460
442 HG LEU 63 HG LEU 63 5.923 -7.089 2.149
443 1HD1 LEU 63 1HD1 LEU 63 5.695 -6.187 -0.688
444 2HD1 LEU 63 2HD1 LEU 63 5.365 -7.863 -0.252
445 3HD1 LEU 63 3HD1 LEU 63 4.421 -6.562 0.474
446 1HD2 LEU 63 1HD2 LEU 63 8.508 -7.070 1.000
447 2HD2 LEU 63 2HD2 LEU 63 7.644 -8.422 1.735
448 3HD2 LEU 63 3HD2 LEU 63 7.492 -8.115 0.006
449 H ILE 64 H ILE 64 6.887 -3.388 3.836
450 HA ILE 64 HA ILE 64 7.542 -0.974 2.642
451 HB ILE 64 HB ILE 64 7.050 -1.532 5.571
452 1HG1 ILE 64 1HG1 ILE 64 5.165 -0.568 3.406
453 2HG1 ILE 64 2HG1 ILE 64 5.226 -2.215 4.026
454 1HG2 ILE 64 1HG2 ILE 64 7.012 1.069 4.049
455 2HG2 ILE 64 2HG2 ILE 64 6.438 0.859 5.703
456 3HG2 ILE 64 3HG2 ILE 64 8.141 0.606 5.322
457 1HD1 ILE 64 1HD1 ILE 64 4.657 -1.312 6.273
458 2HD1 ILE 64 2HD1 ILE 64 4.430 0.267 5.521
459 3HD1 ILE 64 3HD1 ILE 64 3.401 -1.088 5.055
460 H ALA 65 H ALA 65 9.255 -2.812 5.127
461 HA ALA 65 HA ALA 65 11.288 -0.932 5.640
462 1HB ALA 65 1HB ALA 65 12.332 -3.549 5.971
463 2HB ALA 65 2HB ALA 65 10.637 -3.579 6.462
464 3HB ALA 65 3HB ALA 65 11.753 -2.435 7.210
465 H GLU 66 H GLU 66 11.028 -3.608 3.348
466 HA GLU 66 HA GLU 66 13.608 -3.594 2.309
467 1HB GLU 66 1HB GLU 66 10.975 -4.216 0.953
468 2HB GLU 66 2HB GLU 66 12.550 -4.553 0.245
469 1HG GLU 66 1HG GLU 66 11.555 -5.686 2.849
470 2HG GLU 66 2HG GLU 66 11.506 -6.521 1.298
471 H PHE 67 H PHE 67 10.795 -1.659 1.421
472 HA PHE 67 HA PHE 67 11.982 -0.344 -0.785
473 1HB PHE 67 1HB PHE 67 9.641 -0.291 -0.733
474 2HB PHE 67 2HB PHE 67 9.589 0.199 0.955
475 HD1 PHE 67 HD1 PHE 67 9.038 2.360 1.418
476 HD2 PHE 67 HD2 PHE 67 10.857 1.467 -2.323
477 HE1 PHE 67 HE1 PHE 67 8.783 4.709 0.744
478 HE2 PHE 67 HE2 PHE 67 10.607 3.816 -3.011
479 HZ PHE 67 HZ PHE 67 9.570 5.443 -1.476
480 H LEU 68 H LEU 68 11.542 0.595 2.609
481 HA LEU 68 HA LEU 68 12.673 3.144 2.419
482 1HB LEU 68 1HB LEU 68 12.632 1.305 4.806
483 2HB LEU 68 2HB LEU 68 12.876 3.041 4.846
484 HG LEU 68 HG LEU 68 10.353 1.646 3.948
485 1HD1 LEU 68 1HD1 LEU 68 11.114 3.038 6.494
486 2HD1 LEU 68 2HD1 LEU 68 9.438 2.795 6.003
487 3HD1 LEU 68 3HD1 LEU 68 10.487 1.404 6.277
488 1HD2 LEU 68 1HD2 LEU 68 11.281 4.447 3.815
489 2HD2 LEU 68 2HD2 LEU 68 10.144 3.575 2.787
490 3HD2 LEU 68 3HD2 LEU 68 9.624 4.188 4.357
491 H GLN 69 H GLN 69 14.177 0.018 2.566
492 HA GLN 69 HA GLN 69 16.638 0.502 3.660
493 1HB GLN 69 1HB GLN 69 16.052 -1.109 1.168
494 2HB GLN 69 2HB GLN 69 17.545 -1.197 2.090
495 1HG GLN 69 1HG GLN 69 14.817 -1.871 3.160
496 2HG GLN 69 2HG GLN 69 15.987 -3.042 2.563
497 1HE2 GLN 69 1HE2 GLN 69 17.878 -0.810 3.925
498 2HE2 GLN 69 2HE2 GLN 69 17.973 -1.415 5.539
499 H SER 70 H SER 70 15.585 1.303 0.370
500 HA SER 70 HA SER 70 18.027 2.226 -0.622
501 1HB SER 70 1HB SER 70 15.238 3.225 -1.264
502 2HB SER 70 2HB SER 70 16.679 3.534 -2.233
503 HG SER 70 HG SER 70 15.129 1.607 -2.652
504 H GLN 71 H GLN 71 15.428 3.970 1.043
505 HA GLN 71 HA GLN 71 16.928 6.421 1.165
506 1HB GLN 71 1HB GLN 71 14.354 5.598 2.518
507 2HB GLN 71 2HB GLN 71 15.036 7.219 2.554
508 1HG GLN 71 1HG GLN 71 14.837 7.344 0.115
509 2HG GLN 71 2HG GLN 71 14.117 5.735 0.103
510 1HE2 GLN 71 1HE2 GLN 71 12.008 5.747 -0.061
511 2HE2 GLN 71 2HE2 GLN 71 10.941 6.960 0.549
512 H LYS 72 H LYS 72 15.401 5.996 4.120
513 HA LYS 72 HA LYS 72 16.153 5.828 6.257
514 1HB LYS 72 1HB LYS 72 17.856 3.746 4.898
515 2HB LYS 72 2HB LYS 72 17.909 4.013 6.636
516 1HG LYS 72 1HG LYS 72 15.448 3.261 5.069
517 2HG LYS 72 2HG LYS 72 16.447 2.145 6.003
518 1HD LYS 72 1HD LYS 72 15.951 3.416 8.041
519 2HD LYS 72 2HD LYS 72 14.945 4.521 7.102
520 1HE LYS 72 1HE LYS 72 13.587 2.856 8.262
521 2HE LYS 72 2HE LYS 72 13.458 2.679 6.513
522 1HZ LYS 72 1HZ LYS 72 15.434 1.084 8.001
523 2HZ LYS 72 2HZ LYS 72 13.812 0.603 7.984
524 3HZ LYS 72 3HZ LYS 72 14.669 0.739 6.532
525 H THR 73 H THR 73 18.962 5.139 6.993
526 HA THR 73 HA THR 73 19.995 7.697 7.318
527 HB THR 73 HB THR 73 22.143 6.623 7.876
528 HG1 THR 73 HG1 THR 73 21.589 4.072 7.755
529 1HG2 THR 73 1HG2 THR 73 19.759 6.362 9.213
530 2HG2 THR 73 2HG2 THR 73 20.341 4.699 9.140
531 3HG2 THR 73 3HG2 THR 73 21.346 5.954 9.865
532 H ALA 74 H ALA 74 20.786 5.250 4.886
533 HA ALA 74 HA ALA 74 22.572 7.039 3.479
534 1HB ALA 74 1HB ALA 74 21.655 4.516 2.221
535 2HB ALA 74 2HB ALA 74 23.272 5.216 2.312
536 3HB ALA 74 3HB ALA 74 22.591 4.383 3.710
537 H HIS 75 H HIS 75 20.467 8.496 3.479
538 HA HIS 75 HA HIS 75 18.289 8.156 1.907
539 1HB HIS 75 1HB HIS 75 19.969 10.668 2.058
540 2HB HIS 75 2HB HIS 75 18.312 10.596 1.476
541 HD1 HIS 75 HD1 HIS 75 20.187 9.706 4.671
542 HD2 HIS 75 HD2 HIS 75 16.522 11.194 3.403
543 HE1 HIS 75 HE1 HIS 75 18.923 10.261 6.773
544 HE2 HIS 75 HE2 HIS 75 16.730 11.212 5.980
545 H GLU 76 H GLU 76 17.749 8.203 -0.223
546 HA GLU 76 HA GLU 76 19.447 9.102 -2.300
547 1HB GLU 76 1HB GLU 76 20.591 6.953 -1.586
548 2HB GLU 76 2HB GLU 76 19.166 6.097 -2.156
549 1HG GLU 76 1HG GLU 76 20.879 6.022 -3.835
550 2HG GLU 76 2HG GLU 76 19.542 7.017 -4.407
551 H THR 77 H THR 77 18.124 6.481 -3.704
552 HA THR 77 HA THR 77 16.263 6.057 -4.934
553 HB THR 77 HB THR 77 14.868 7.805 -2.897
554 HG1 THR 77 HG1 THR 77 14.710 6.026 -1.712
555 1HG2 THR 77 1HG2 THR 77 13.896 6.170 -5.189
556 2HG2 THR 77 2HG2 THR 77 12.932 6.203 -3.712
557 3HG2 THR 77 3HG2 THR 77 13.294 7.705 -4.563
558 H ASP 78 H ASP 78 15.708 6.837 -6.861
559 HA ASP 78 HA ASP 78 16.348 9.520 -7.579
560 1HB ASP 78 1HB ASP 78 14.864 7.389 -9.133
561 2HB ASP 78 2HB ASP 78 15.483 8.894 -9.806
562 H LYS 79 H LYS 79 15.067 11.269 -7.841
563 HA LYS 79 HA LYS 79 13.275 12.649 -7.619
564 1HB LYS 79 1HB LYS 79 12.528 11.330 -9.589
565 2HB LYS 79 2HB LYS 79 11.703 10.221 -8.506
566 1HG LYS 79 1HG LYS 79 10.253 12.037 -7.747
567 2HG LYS 79 2HG LYS 79 11.081 13.149 -8.838
568 1HD LYS 79 1HD LYS 79 8.991 12.382 -9.823
569 2HD LYS 79 2HD LYS 79 10.368 11.786 -10.753
570 1HE LYS 79 1HE LYS 79 10.185 9.620 -9.621
571 2HE LYS 79 2HE LYS 79 8.810 10.219 -8.696
572 1HZ LYS 79 1HZ LYS 79 7.758 10.650 -10.956
573 2HZ LYS 79 2HZ LYS 79 8.966 9.653 -11.592
574 3HZ LYS 79 3HZ LYS 79 7.875 9.039 -10.454
575 H SER 80 H SER 80 14.048 11.940 -5.237
576 HA SER 80 HA SER 80 12.312 10.462 -3.612
577 1HB SER 80 1HB SER 80 14.091 12.798 -2.868
578 2HB SER 80 2HB SER 80 13.353 11.679 -1.721
579 HG SER 80 HG SER 80 15.016 10.460 -2.055
580 H1 ALA 1 H1 ALA 1 3.785 -16.527 2.302
581 H2 ALA 1 H2 ALA 1 2.699 -17.700 2.854
582 H3 ALA 1 H3 ALA 1 2.176 -16.110 2.616
583 HA ALA 1 HA ALA 1 2.423 -16.335 4.914
584 1HB ALA 1 1HB ALA 1 4.117 -18.363 4.324
585 2HB ALA 1 2HB ALA 1 5.251 -17.137 4.894
586 3HB ALA 1 3HB ALA 1 3.926 -17.663 5.932
587 H ARG 2 H ARG 2 5.391 -15.720 5.691
588 HA ARG 2 HA ARG 2 5.166 -12.955 5.807
589 1HB ARG 2 1HB ARG 2 7.472 -12.904 6.502
590 2HB ARG 2 2HB ARG 2 6.706 -14.318 7.208
591 1HG ARG 2 1HG ARG 2 8.380 -14.408 4.710
592 2HG ARG 2 2HG ARG 2 9.018 -14.679 6.332
593 1HD ARG 2 1HD ARG 2 6.805 -16.278 5.052
594 2HD ARG 2 2HD ARG 2 8.495 -16.773 5.123
595 HE ARG 2 HE ARG 2 6.581 -17.080 7.166
596 1HH1 ARG 2 1HH1 ARG 2 9.920 -16.184 6.704
597 2HH1 ARG 2 2HH1 ARG 2 10.410 -16.696 8.284
598 1HH2 ARG 2 1HH2 ARG 2 7.224 -17.757 9.250
599 2HH2 ARG 2 2HH2 ARG 2 8.879 -17.588 9.729
600 H THR 3 H THR 3 6.633 -15.004 3.359
601 HA THR 3 HA THR 3 7.768 -12.812 1.888
602 HB THR 3 HB THR 3 8.853 -14.973 1.770
603 HG1 THR 3 HG1 THR 3 8.366 -13.477 -0.249
604 1HG2 THR 3 1HG2 THR 3 6.137 -15.896 1.177
605 2HG2 THR 3 2HG2 THR 3 7.376 -16.591 0.135
606 3HG2 THR 3 3HG2 THR 3 7.500 -16.763 1.885
607 H GLN 5 H GLN 5 2.900 -12.167 2.884
608 HA GLN 5 HA GLN 5 1.598 -10.839 4.195
609 1HB GLN 5 1HB GLN 5 3.109 -8.645 2.763
610 2HB GLN 5 2HB GLN 5 2.199 -8.451 4.256
611 1HG GLN 5 1HG GLN 5 3.708 -10.066 5.348
612 2HG GLN 5 2HG GLN 5 4.647 -10.154 3.858
613 1HE2 GLN 5 1HE2 GLN 5 4.542 -8.790 6.817
614 2HE2 GLN 5 2HE2 GLN 5 5.483 -7.371 6.528
615 H THR 6 H THR 6 0.441 -8.325 3.784
616 HA THR 6 HA THR 6 -1.019 -8.315 1.293
617 HB THR 6 HB THR 6 -3.265 -8.390 2.498
618 HG1 THR 6 HG1 THR 6 -1.709 -8.632 4.602
619 1HG2 THR 6 1HG2 THR 6 -2.304 -10.230 1.060
620 2HG2 THR 6 2HG2 THR 6 -1.782 -11.011 2.552
621 3HG2 THR 6 3HG2 THR 6 -3.499 -10.736 2.254
622 H ALA 7 H ALA 7 -3.070 -6.755 1.761
623 HA ALA 7 HA ALA 7 -2.785 -4.651 3.602
624 1HB ALA 7 1HB ALA 7 -1.745 -4.058 0.828
625 2HB ALA 7 2HB ALA 7 -0.832 -3.996 2.336
626 3HB ALA 7 3HB ALA 7 -2.129 -2.836 2.042
627 H ARG 8 H ARG 8 -4.853 -4.190 3.875
628 HA ARG 8 HA ARG 8 -6.868 -4.819 2.017
629 1HB ARG 8 1HB ARG 8 -7.272 -4.727 4.421
630 2HB ARG 8 2HB ARG 8 -6.968 -2.995 4.421
631 1HG ARG 8 1HG ARG 8 -8.919 -2.629 3.027
632 2HG ARG 8 2HG ARG 8 -9.209 -4.367 2.954
633 1HD ARG 8 1HD ARG 8 -9.196 -2.734 5.492
634 2HD ARG 8 2HD ARG 8 -10.647 -3.171 4.594
635 HE ARG 8 HE ARG 8 -10.483 -5.318 5.408
636 1HH1 ARG 8 1HH1 ARG 8 -7.610 -3.528 6.257
637 2HH1 ARG 8 2HH1 ARG 8 -6.978 -4.782 7.268
638 1HH2 ARG 8 1HH2 ARG 8 -9.658 -6.963 6.741
639 2HH2 ARG 8 2HH2 ARG 8 -8.142 -6.732 7.545
640 H SER 10 H SER 10 -7.403 0.781 -0.196
641 HA SER 10 HA SER 10 -9.268 1.330 1.840
642 1HB SER 10 1HB SER 10 -8.252 3.162 -0.350
643 2HB SER 10 2HB SER 10 -9.069 3.680 1.125
644 HG SER 10 HG SER 10 -6.836 2.045 1.419
645 H THR 11 H THR 11 -11.414 1.270 1.797
646 HA THR 11 HA THR 11 -12.927 2.218 -0.446
647 HB THR 11 HB THR 11 -13.117 -0.726 0.228
648 HG1 THR 11 HG1 THR 11 -11.565 -0.787 -1.225
649 1HG2 THR 11 1HG2 THR 11 -14.684 1.024 -1.663
650 2HG2 THR 11 2HG2 THR 11 -14.691 -0.738 -1.734
651 3HG2 THR 11 3HG2 THR 11 -15.299 0.089 -0.300
652 H GLY 12 H GLY 12 -13.226 0.036 2.382
653 1HA GLY 12 1HA GLY 12 -14.677 0.089 4.165
654 2HA GLY 12 2HA GLY 12 -15.852 0.769 3.047
655 H GLY 13 H GLY 13 -16.670 2.621 3.756
656 1HA GLY 13 1HA GLY 13 -14.884 4.709 4.708
657 2HA GLY 13 2HA GLY 13 -16.050 4.120 5.884
658 H LYS 14 H LYS 14 -17.159 6.066 6.033
659 HA LYS 14 HA LYS 14 -19.358 6.457 4.411
660 1HB LYS 14 1HB LYS 14 -17.893 8.507 6.081
661 2HB LYS 14 2HB LYS 14 -19.513 8.713 5.433
662 1HG LYS 14 1HG LYS 14 -18.706 6.539 7.352
663 2HG LYS 14 2HG LYS 14 -19.471 8.059 7.816
664 1HD LYS 14 1HD LYS 14 -21.414 7.501 6.438
665 2HD LYS 14 2HD LYS 14 -20.647 5.984 5.965
666 1HE LYS 14 1HE LYS 14 -22.283 5.628 7.741
667 2HE LYS 14 2HE LYS 14 -20.651 5.250 8.293
668 1HZ LYS 14 1HZ LYS 14 -21.042 7.915 8.875
669 2HZ LYS 14 2HZ LYS 14 -22.488 7.154 9.316
670 3HZ LYS 14 3HZ LYS 14 -21.020 6.628 9.972
671 H ALA 15 H ALA 15 -19.803 7.589 2.589
672 HA ALA 15 HA ALA 15 -17.813 8.101 0.721
673 1HB ALA 15 1HB ALA 15 -20.086 7.730 0.036
674 2HB ALA 15 2HB ALA 15 -20.619 9.191 0.867
675 3HB ALA 15 3HB ALA 15 -19.570 9.313 -0.546
676 HA PRO 16 HA PRO 16 -16.028 11.917 2.171
677 1HB PRO 16 1HB PRO 16 -15.205 12.219 -0.660
678 2HB PRO 16 2HB PRO 16 -14.216 12.195 0.804
679 1HG PRO 16 1HG PRO 16 -14.236 10.119 -0.872
680 2HG PRO 16 2HG PRO 16 -14.155 9.880 0.885
681 1HD PRO 16 1HD PRO 16 -16.494 9.593 -0.962
682 2HD PRO 16 2HD PRO 16 -16.017 8.582 0.419
683 H GLY 17 H GLY 17 -16.845 13.915 2.345
684 1HA GLY 17 1HA GLY 17 -17.817 15.480 0.227
685 2HA GLY 17 2HA GLY 17 -18.109 15.785 1.933
686 H GLY 18 H GLY 18 -19.743 15.702 -0.728
687 1HA GLY 18 1HA GLY 18 -21.736 13.739 -0.459
688 2HA GLY 18 2HA GLY 18 -21.918 15.263 -1.315
No H/Q in entry = 688
Start of MODEL 15
1 H1 HIS 8 H1 HIS 8 -24.484 9.427 -5.683
2 H2 HIS 8 H2 HIS 8 -25.039 10.610 -6.760
3 H3 HIS 8 H3 HIS 8 -24.882 9.005 -7.271
4 HA HIS 8 HA HIS 8 -22.748 9.228 -7.758
5 1HB HIS 8 1HB HIS 8 -23.373 12.135 -7.183
6 2HB HIS 8 2HB HIS 8 -22.019 11.559 -8.150
7 HD1 HIS 8 HD1 HIS 8 -23.038 9.817 -10.195
8 HD2 HIS 8 HD2 HIS 8 -25.368 12.957 -8.789
9 HE1 HIS 8 HE1 HIS 8 -24.732 10.258 -12.001
10 HE2 HIS 8 HE2 HIS 8 -26.152 12.142 -11.116
11 H MET 9 H MET 9 -23.445 11.165 -4.869
12 HA MET 9 HA MET 9 -20.816 11.309 -3.894
13 1HB MET 9 1HB MET 9 -23.407 11.318 -2.335
14 2HB MET 9 2HB MET 9 -21.846 11.855 -1.729
15 1HG MET 9 1HG MET 9 -23.419 13.097 -3.973
16 2HG MET 9 2HG MET 9 -23.204 13.748 -2.349
17 1HE MET 9 1HE MET 9 -20.139 12.981 -1.839
18 2HE MET 9 2HE MET 9 -19.317 14.456 -2.350
19 3HE MET 9 3HE MET 9 -20.800 14.556 -1.399
20 H VAL 10 H VAL 10 -23.419 8.996 -3.239
21 HA VAL 10 HA VAL 10 -21.448 6.980 -2.527
22 HB VAL 10 HB VAL 10 -22.663 6.334 -0.461
23 1HG1 VAL 10 1HG1 VAL 10 -20.719 8.204 -0.750
24 2HG1 VAL 10 2HG1 VAL 10 -21.933 9.108 0.155
25 3HG1 VAL 10 3HG1 VAL 10 -21.299 7.595 0.800
26 1HG2 VAL 10 1HG2 VAL 10 -24.398 8.526 -1.322
27 2HG2 VAL 10 2HG2 VAL 10 -24.742 7.148 -0.275
28 3HG2 VAL 10 3HG2 VAL 10 -23.958 8.584 0.385
29 H GLU 11 H GLU 11 -22.064 4.964 -3.099
30 HA GLU 11 HA GLU 11 -24.744 4.090 -3.332
31 1HB GLU 11 1HB GLU 11 -24.753 5.582 -5.279
32 2HB GLU 11 2HB GLU 11 -23.342 4.759 -5.928
33 1HG GLU 11 1HG GLU 11 -25.299 3.998 -7.078
34 2HG GLU 11 2HG GLU 11 -24.664 2.684 -6.091
35 H GLU 12 H GLU 12 -24.865 1.912 -3.561
36 HA GLU 12 HA GLU 12 -24.246 -0.265 -3.793
37 1HB GLU 12 1HB GLU 12 -21.694 0.817 -4.997
38 2HB GLU 12 2HB GLU 12 -22.191 -0.870 -4.998
39 1HG GLU 12 1HG GLU 12 -23.610 1.403 -6.368
40 2HG GLU 12 2HG GLU 12 -22.627 0.163 -7.144
41 H VAL 13 H VAL 13 -21.530 1.784 -2.718
42 HA VAL 13 HA VAL 13 -20.382 -0.182 -1.045
43 HB VAL 13 HB VAL 13 -19.154 1.693 0.013
44 1HG1 VAL 13 1HG1 VAL 13 -19.272 1.438 -2.969
45 2HG1 VAL 13 2HG1 VAL 13 -18.144 2.555 -2.200
46 3HG1 VAL 13 3HG1 VAL 13 -18.057 0.831 -1.843
47 1HG2 VAL 13 1HG2 VAL 13 -21.281 3.236 -1.256
48 2HG2 VAL 13 2HG2 VAL 13 -20.222 3.658 0.091
49 3HG2 VAL 13 3HG2 VAL 13 -19.669 3.878 -1.569
50 H LEU 14 H LEU 14 -20.883 -0.842 0.943
51 HA LEU 14 HA LEU 14 -22.038 0.727 2.958
52 1HB LEU 14 1HB LEU 14 -24.261 -0.567 3.035
53 2HB LEU 14 2HB LEU 14 -24.105 0.767 1.909
54 HG LEU 14 HG LEU 14 -23.620 -0.912 0.104
55 1HD1 LEU 14 1HD1 LEU 14 -23.931 -2.739 2.394
56 2HD1 LEU 14 2HD1 LEU 14 -24.733 -3.223 0.899
57 3HD1 LEU 14 3HD1 LEU 14 -22.996 -2.920 0.909
58 1HD2 LEU 14 1HD2 LEU 14 -25.822 0.105 0.384
59 2HD2 LEU 14 2HD2 LEU 14 -25.949 -1.563 -0.175
60 3HD2 LEU 14 3HD2 LEU 14 -26.272 -1.172 1.515
61 H GLU 15 H GLU 15 -19.913 -1.075 2.744
62 HA GLU 15 HA GLU 15 -20.613 -2.918 4.885
63 1HB GLU 15 1HB GLU 15 -19.347 -3.833 2.294
64 2HB GLU 15 2HB GLU 15 -19.474 -4.815 3.746
65 1HG GLU 15 1HG GLU 15 -21.811 -3.698 2.215
66 2HG GLU 15 2HG GLU 15 -21.185 -5.338 2.054
67 H GLU 16 H GLU 16 -17.972 -4.312 4.240
68 HA GLU 16 HA GLU 16 -15.880 -2.436 4.424
69 1HB GLU 16 1HB GLU 16 -15.255 -2.784 6.799
70 2HB GLU 16 2HB GLU 16 -16.771 -1.917 6.612
71 1HG GLU 16 1HG GLU 16 -18.009 -3.960 7.092
72 2HG GLU 16 2HG GLU 16 -16.492 -4.844 7.257
73 H GLU 17 H GLU 17 -16.177 -4.622 2.881
74 HA GLU 17 HA GLU 17 -15.231 -7.060 3.813
75 1HB GLU 17 1HB GLU 17 -14.813 -5.813 1.091
76 2HB GLU 17 2HB GLU 17 -14.590 -7.515 1.472
77 1HG GLU 17 1HG GLU 17 -16.961 -7.689 2.053
78 2HG GLU 17 2HG GLU 17 -17.177 -5.987 1.644
79 H GLU 18 H GLU 18 -13.406 -4.316 2.483
80 HA GLU 18 HA GLU 18 -11.145 -4.023 2.266
81 1HB GLU 18 1HB GLU 18 -10.102 -3.734 4.487
82 2HB GLU 18 2HB GLU 18 -11.667 -2.946 4.307
83 1HG GLU 18 1HG GLU 18 -12.732 -4.777 5.443
84 2HG GLU 18 2HG GLU 18 -11.183 -5.587 5.617
85 H GLU 19 H GLU 19 -11.433 -6.430 1.289
86 HA GLU 19 HA GLU 19 -10.181 -8.580 2.570
87 1HB GLU 19 1HB GLU 19 -11.586 -8.736 0.542
88 2HB GLU 19 2HB GLU 19 -10.270 -8.013 -0.378
89 1HG GLU 19 1HG GLU 19 -10.292 -10.409 -0.639
90 2HG GLU 19 2HG GLU 19 -8.829 -9.891 0.185
91 H GLU 20 H GLU 20 -8.119 -9.377 2.576
92 HA GLU 20 HA GLU 20 -5.998 -7.460 2.209
93 1HB GLU 20 1HB GLU 20 -5.946 -10.359 3.066
94 2HB GLU 20 2HB GLU 20 -4.550 -9.290 3.067
95 1HG GLU 20 1HG GLU 20 -5.589 -7.871 4.713
96 2HG GLU 20 2HG GLU 20 -7.061 -8.841 4.663
97 H TYR 21 H TYR 21 -4.836 -7.201 0.424
98 HA TYR 21 HA TYR 21 -5.014 -9.230 -1.685
99 1HB TYR 21 1HB TYR 21 -4.363 -6.293 -1.710
100 2HB TYR 21 2HB TYR 21 -3.968 -7.325 -3.080
101 HD1 TYR 21 HD1 TYR 21 -5.416 -6.643 -4.769
102 HD2 TYR 21 HD2 TYR 21 -6.985 -7.375 -0.882
103 HE1 TYR 21 HE1 TYR 21 -7.697 -6.372 -5.645
104 HE2 TYR 21 HE2 TYR 21 -9.271 -7.107 -1.748
105 HH TYR 21 HH TYR 21 -9.915 -5.857 -4.877
106 H VAL 22 H VAL 22 -3.187 -10.056 -2.713
107 HA VAL 22 HA VAL 22 -1.002 -10.656 -1.115
108 HB VAL 22 HB VAL 22 -1.063 -10.664 -4.133
109 1HG1 VAL 22 1HG1 VAL 22 0.728 -12.016 -2.128
110 2HG1 VAL 22 2HG1 VAL 22 0.600 -12.538 -3.807
111 3HG1 VAL 22 3HG1 VAL 22 1.184 -10.917 -3.431
112 1HG2 VAL 22 1HG2 VAL 22 -2.822 -11.980 -2.609
113 2HG2 VAL 22 2HG2 VAL 22 -2.178 -12.641 -4.113
114 3HG2 VAL 22 3HG2 VAL 22 -1.492 -13.139 -2.566
115 H VAL 23 H VAL 23 -1.281 -8.188 -3.635
116 HA VAL 23 HA VAL 23 -0.106 -6.275 -4.025
117 HB VAL 23 HB VAL 23 1.229 -6.737 -1.361
118 1HG1 VAL 23 1HG1 VAL 23 1.408 -4.677 -3.356
119 2HG1 VAL 23 2HG1 VAL 23 0.779 -4.013 -1.847
120 3HG1 VAL 23 3HG1 VAL 23 2.322 -4.869 -1.860
121 1HG2 VAL 23 1HG2 VAL 23 -1.399 -5.417 -2.003
122 2HG2 VAL 23 2HG2 VAL 23 -1.129 -6.843 -0.998
123 3HG2 VAL 23 3HG2 VAL 23 -0.558 -5.262 -0.460
124 H GLU 24 H GLU 24 1.756 -5.713 -5.072
125 HA GLU 24 HA GLU 24 3.646 -7.852 -5.547
126 1HB GLU 24 1HB GLU 24 2.694 -6.460 -7.384
127 2HB GLU 24 2HB GLU 24 3.587 -5.085 -6.744
128 1HG GLU 24 1HG GLU 24 4.861 -5.956 -8.528
129 2HG GLU 24 2HG GLU 24 5.673 -6.428 -7.035
130 H LYS 25 H LYS 25 4.034 -4.377 -4.769
131 HA LYS 25 HA LYS 25 5.841 -4.738 -2.646
132 1HB LYS 25 1HB LYS 25 7.387 -5.649 -4.244
133 2HB LYS 25 2HB LYS 25 7.106 -4.318 -5.355
134 1HG LYS 25 1HG LYS 25 9.232 -4.034 -4.275
135 2HG LYS 25 2HG LYS 25 8.123 -2.777 -3.726
136 1HD LYS 25 1HD LYS 25 7.679 -4.110 -1.692
137 2HD LYS 25 2HD LYS 25 8.874 -5.292 -2.236
138 1HE LYS 25 1HE LYS 25 9.912 -3.819 -0.647
139 2HE LYS 25 2HE LYS 25 10.575 -3.489 -2.247
140 1HZ LYS 25 1HZ LYS 25 8.305 -1.911 -1.233
141 2HZ LYS 25 2HZ LYS 25 9.883 -1.532 -0.753
142 3HZ LYS 25 3HZ LYS 25 9.463 -1.491 -2.392
143 H VAL 26 H VAL 26 6.266 -2.900 -1.619
144 HA VAL 26 HA VAL 26 4.792 -0.593 -2.169
145 HB VAL 26 HB VAL 26 6.791 -1.433 -0.204
146 1HG1 VAL 26 1HG1 VAL 26 6.768 1.387 -1.183
147 2HG1 VAL 26 2HG1 VAL 26 7.085 1.037 0.519
148 3HG1 VAL 26 3HG1 VAL 26 8.132 0.363 -0.734
149 1HG2 VAL 26 1HG2 VAL 26 4.251 -1.121 0.003
150 2HG2 VAL 26 2HG2 VAL 26 5.276 -0.563 1.327
151 3HG2 VAL 26 3HG2 VAL 26 4.625 0.599 0.164
152 H LEU 27 H LEU 27 5.221 1.251 -3.276
153 HA LEU 27 HA LEU 27 7.704 1.315 -4.820
154 1HB LEU 27 1HB LEU 27 5.123 2.824 -5.236
155 2HB LEU 27 2HB LEU 27 6.542 2.963 -6.253
156 HG LEU 27 HG LEU 27 5.046 1.562 -7.414
157 1HD1 LEU 27 1HD1 LEU 27 7.113 -0.125 -6.021
158 2HD1 LEU 27 2HD1 LEU 27 6.175 -0.653 -7.420
159 3HD1 LEU 27 3HD1 LEU 27 7.272 0.721 -7.561
160 1HD2 LEU 27 1HD2 LEU 27 4.431 0.531 -4.735
161 2HD2 LEU 27 2HD2 LEU 27 3.389 0.747 -6.143
162 3HD2 LEU 27 3HD2 LEU 27 4.434 -0.670 -6.027
163 H ASP 28 H ASP 28 5.758 3.243 -2.572
164 HA ASP 28 HA ASP 28 8.043 4.675 -1.682
165 1HB ASP 28 1HB ASP 28 7.536 5.697 -3.991
166 2HB ASP 28 2HB ASP 28 6.122 6.411 -3.226
167 H ARG 29 H ARG 29 6.518 7.137 -1.086
168 HA ARG 29 HA ARG 29 4.177 6.496 0.388
169 1HB ARG 29 1HB ARG 29 4.995 6.680 2.629
170 2HB ARG 29 2HB ARG 29 5.978 5.467 1.824
171 1HG ARG 29 1HG ARG 29 7.726 7.174 1.462
172 2HG ARG 29 2HG ARG 29 6.748 8.326 2.374
173 1HD ARG 29 1HD ARG 29 6.815 6.721 4.296
174 2HD ARG 29 2HD ARG 29 7.971 5.759 3.375
175 HE ARG 29 HE ARG 29 8.579 7.996 4.930
176 1HH1 ARG 29 1HH1 ARG 29 9.269 6.770 1.737
177 2HH1 ARG 29 2HH1 ARG 29 10.818 7.540 1.641
178 1HH2 ARG 29 1HH2 ARG 29 10.612 9.009 4.803
179 2HH2 ARG 29 2HH2 ARG 29 11.578 8.811 3.379
180 H ARG 30 H ARG 30 3.106 8.387 1.026
181 HA ARG 30 HA ARG 30 4.543 10.895 1.065
182 1HB ARG 30 1HB ARG 30 3.192 11.951 -0.705
183 2HB ARG 30 2HB ARG 30 4.211 10.657 -1.317
184 1HG ARG 30 1HG ARG 30 2.281 9.153 -1.341
185 2HG ARG 30 2HG ARG 30 1.262 10.463 -0.742
186 1HD ARG 30 1HD ARG 30 1.754 11.769 -2.745
187 2HD ARG 30 2HD ARG 30 2.797 10.479 -3.339
188 HE ARG 30 HE ARG 30 0.267 9.401 -2.849
189 1HH1 ARG 30 1HH1 ARG 30 1.798 11.672 -5.002
190 2HH1 ARG 30 2HH1 ARG 30 0.688 11.385 -6.301
191 1HH2 ARG 30 1HH2 ARG 30 -1.198 9.017 -4.552
192 2HH2 ARG 30 2HH2 ARG 30 -1.014 9.875 -6.046
193 H VAL 31 H VAL 31 3.626 12.360 2.342
194 HA VAL 31 HA VAL 31 1.246 11.654 3.800
195 HB VAL 31 HB VAL 31 2.882 14.192 3.951
196 1HG1 VAL 31 1HG1 VAL 31 0.573 13.125 5.464
197 2HG1 VAL 31 2HG1 VAL 31 1.847 13.914 6.395
198 3HG1 VAL 31 3HG1 VAL 31 1.023 14.793 5.106
199 1HG2 VAL 31 1HG2 VAL 31 3.178 11.525 5.286
200 2HG2 VAL 31 2HG2 VAL 31 4.405 12.523 4.504
201 3HG2 VAL 31 3HG2 VAL 31 3.748 13.000 6.071
202 H VAL 32 H VAL 32 -0.674 12.931 3.941
203 HA VAL 32 HA VAL 32 -1.076 14.854 1.752
204 HB VAL 32 HB VAL 32 -3.309 13.920 1.298
205 1HG1 VAL 32 1HG1 VAL 32 -1.101 13.187 0.149
206 2HG1 VAL 32 2HG1 VAL 32 -1.379 11.658 0.984
207 3HG1 VAL 32 3HG1 VAL 32 -2.579 12.272 -0.153
208 1HG2 VAL 32 1HG2 VAL 32 -3.228 12.748 3.677
209 2HG2 VAL 32 2HG2 VAL 32 -4.210 12.114 2.357
210 3HG2 VAL 32 3HG2 VAL 32 -2.638 11.396 2.709
211 H LYS 33 H LYS 33 -1.827 13.734 4.935
212 HA LYS 33 HA LYS 33 -2.742 16.323 5.740
213 1HB LYS 33 1HB LYS 33 -4.966 15.543 6.562
214 2HB LYS 33 2HB LYS 33 -4.835 15.577 4.809
215 1HG LYS 33 1HG LYS 33 -4.470 13.163 4.784
216 2HG LYS 33 2HG LYS 33 -4.594 13.127 6.544
217 1HD LYS 33 1HD LYS 33 -6.776 14.053 4.676
218 2HD LYS 33 2HD LYS 33 -6.688 12.451 5.408
219 1HE LYS 33 1HE LYS 33 -6.802 13.464 7.633
220 2HE LYS 33 2HE LYS 33 -6.885 15.066 6.900
221 1HZ LYS 33 1HZ LYS 33 -8.887 12.905 6.511
222 2HZ LYS 33 2HZ LYS 33 -9.072 14.228 7.548
223 3HZ LYS 33 3HZ LYS 33 -8.975 14.472 5.878
224 H GLY 34 H GLY 34 -0.586 15.138 6.637
225 1HA GLY 34 1HA GLY 34 -1.239 14.536 9.407
226 2HA GLY 34 2HA GLY 34 0.368 14.828 8.750
227 H LYS 35 H LYS 35 -1.875 12.595 7.303
228 HA LYS 35 HA LYS 35 -0.812 10.249 8.576
229 1HB LYS 35 1HB LYS 35 -2.296 9.057 7.045
230 2HB LYS 35 2HB LYS 35 -3.145 10.353 7.871
231 1HG LYS 35 1HG LYS 35 -2.888 11.763 5.874
232 2HG LYS 35 2HG LYS 35 -2.102 10.418 5.049
233 1HD LYS 35 1HD LYS 35 -4.918 10.412 6.133
234 2HD LYS 35 2HD LYS 35 -4.471 10.610 4.440
235 1HE LYS 35 1HE LYS 35 -5.074 8.345 4.671
236 2HE LYS 35 2HE LYS 35 -3.311 8.366 4.630
237 1HZ LYS 35 1HZ LYS 35 -4.666 8.461 7.231
238 2HZ LYS 35 2HZ LYS 35 -4.577 6.982 6.416
239 3HZ LYS 35 3HZ LYS 35 -3.159 7.809 6.826
240 H VAL 36 H VAL 36 -0.880 8.661 6.157
241 HA VAL 36 HA VAL 36 1.110 9.591 4.351
242 HB VAL 36 HB VAL 36 2.595 9.163 6.228
243 1HG1 VAL 36 1HG1 VAL 36 0.982 7.316 7.123
244 2HG1 VAL 36 2HG1 VAL 36 1.989 6.245 6.147
245 3HG1 VAL 36 3HG1 VAL 36 2.715 7.208 7.434
246 1HG2 VAL 36 1HG2 VAL 36 3.432 8.745 3.984
247 2HG2 VAL 36 2HG2 VAL 36 4.141 7.607 5.130
248 3HG2 VAL 36 3HG2 VAL 36 2.841 7.084 4.057
249 H GLU 37 H GLU 37 0.825 8.586 2.483
250 HA GLU 37 HA GLU 37 -0.516 5.962 2.503
251 1HB GLU 37 1HB GLU 37 -1.454 6.541 0.317
252 2HB GLU 37 2HB GLU 37 -1.919 7.712 1.542
253 1HG GLU 37 1HG GLU 37 -0.155 9.221 0.726
254 2HG GLU 37 2HG GLU 37 0.221 8.059 -0.544
255 H TYR 38 H TYR 38 0.492 4.296 1.593
256 HA TYR 38 HA TYR 38 3.019 4.808 0.200
257 1HB TYR 38 1HB TYR 38 1.963 2.380 1.639
258 2HB TYR 38 2HB TYR 38 3.391 2.322 0.612
259 HD1 TYR 38 HD1 TYR 38 5.392 2.428 1.710
260 HD2 TYR 38 HD2 TYR 38 2.062 4.503 3.342
261 HE1 TYR 38 HE1 TYR 38 6.792 3.170 3.584
262 HE2 TYR 38 HE2 TYR 38 3.440 5.256 5.224
263 HH TYR 38 HH TYR 38 5.501 4.560 6.402
264 H LEU 39 H LEU 39 3.426 4.095 -1.816
265 HA LEU 39 HA LEU 39 1.160 3.342 -3.433
266 1HB LEU 39 1HB LEU 39 2.853 4.946 -4.238
267 2HB LEU 39 2HB LEU 39 4.071 3.688 -4.168
268 HG LEU 39 HG LEU 39 3.023 2.472 -5.951
269 1HD1 LEU 39 1HD1 LEU 39 0.816 4.485 -5.658
270 2HD1 LEU 39 2HD1 LEU 39 0.992 3.436 -7.064
271 3HD1 LEU 39 3HD1 LEU 39 0.725 2.734 -5.468
272 1HD2 LEU 39 1HD2 LEU 39 4.447 4.517 -6.447
273 2HD2 LEU 39 2HD2 LEU 39 3.399 3.946 -7.746
274 3HD2 LEU 39 3HD2 LEU 39 2.932 5.353 -6.793
275 H LEU 40 H LEU 40 0.755 1.335 -4.309
276 HA LEU 40 HA LEU 40 2.766 -0.747 -4.113
277 1HB LEU 40 1HB LEU 40 0.135 -0.958 -2.654
278 2HB LEU 40 2HB LEU 40 1.219 -2.304 -2.935
279 HG LEU 40 HG LEU 40 2.889 -0.525 -1.722
280 1HD1 LEU 40 1HD1 LEU 40 0.865 0.945 -1.376
281 2HD1 LEU 40 2HD1 LEU 40 0.300 -0.275 -0.234
282 3HD1 LEU 40 3HD1 LEU 40 1.823 0.568 0.056
283 1HD2 LEU 40 1HD2 LEU 40 1.226 -2.794 -0.729
284 2HD2 LEU 40 2HD2 LEU 40 2.972 -2.692 -0.954
285 3HD2 LEU 40 3HD2 LEU 40 2.209 -1.872 0.409
286 H LYS 41 H LYS 41 2.668 -2.083 -5.780
287 HA LYS 41 HA LYS 41 0.655 -1.763 -7.783
288 1HB LYS 41 1HB LYS 41 3.054 -2.331 -8.252
289 2HB LYS 41 2HB LYS 41 2.760 -3.924 -7.570
290 1HG LYS 41 1HG LYS 41 1.036 -4.304 -9.302
291 2HG LYS 41 2HG LYS 41 1.464 -2.748 -10.018
292 1HD LYS 41 1HD LYS 41 3.784 -3.568 -10.300
293 2HD LYS 41 2HD LYS 41 3.269 -5.140 -9.684
294 1HE LYS 41 1HE LYS 41 1.675 -5.333 -11.534
295 2HE LYS 41 2HE LYS 41 2.205 -3.769 -12.149
296 1HZ LYS 41 1HZ LYS 41 4.417 -5.501 -11.753
297 2HZ LYS 41 2HZ LYS 41 3.269 -6.233 -12.757
298 3HZ LYS 41 3HZ LYS 41 3.911 -4.723 -13.166
299 H TRP 42 H TRP 42 -1.080 -3.070 -8.242
300 HA TRP 42 HA TRP 42 -1.599 -5.201 -6.282
301 1HB TRP 42 1HB TRP 42 -3.625 -3.611 -7.864
302 2HB TRP 42 2HB TRP 42 -3.972 -4.786 -6.595
303 HD1 TRP 42 HD1 TRP 42 -2.890 -1.182 -7.125
304 HE1 TRP 42 HE1 TRP 42 -2.808 0.020 -4.850
305 HE3 TRP 42 HE3 TRP 42 -3.562 -5.208 -4.040
306 HZ2 TRP 42 HZ2 TRP 42 -3.008 -0.642 -2.121
307 HZ3 TRP 42 HZ3 TRP 42 -3.602 -4.834 -1.609
308 HH2 TRP 42 HH2 TRP 42 -3.329 -2.597 -0.669
309 H LYS 43 H LYS 43 -1.974 -7.211 -6.916
310 HA LYS 43 HA LYS 43 -1.290 -8.082 -9.486
311 1HB LYS 43 1HB LYS 43 -1.083 -9.509 -7.528
312 2HB LYS 43 2HB LYS 43 -2.826 -9.502 -7.305
313 1HG LYS 43 1HG LYS 43 -3.125 -10.703 -9.390
314 2HG LYS 43 2HG LYS 43 -1.386 -10.657 -9.684
315 1HD LYS 43 1HD LYS 43 -2.069 -12.824 -8.793
316 2HD LYS 43 2HD LYS 43 -1.006 -11.982 -7.665
317 1HE LYS 43 1HE LYS 43 -2.973 -11.255 -6.382
318 2HE LYS 43 2HE LYS 43 -4.016 -12.132 -7.502
319 1HZ LYS 43 1HZ LYS 43 -2.661 -14.158 -6.856
320 2HZ LYS 43 2HZ LYS 43 -2.067 -13.234 -5.568
321 3HZ LYS 43 3HZ LYS 43 -3.724 -13.553 -5.688
322 H GLY 44 H GLY 44 -2.469 -8.793 -11.225
323 1HA GLY 44 1HA GLY 44 -5.350 -8.841 -11.183
324 2HA GLY 44 2HA GLY 44 -4.319 -9.147 -12.574
325 H PHE 45 H PHE 45 -4.572 -6.316 -10.449
326 HA PHE 45 HA PHE 45 -5.953 -4.719 -12.353
327 1HB PHE 45 1HB PHE 45 -4.436 -4.035 -9.833
328 2HB PHE 45 2HB PHE 45 -5.240 -2.819 -10.818
329 HD1 PHE 45 HD1 PHE 45 -6.330 -6.247 -9.819
330 HD2 PHE 45 HD2 PHE 45 -7.033 -2.053 -9.589
331 HE1 PHE 45 HE1 PHE 45 -8.440 -6.668 -8.626
332 HE2 PHE 45 HE2 PHE 45 -9.145 -2.469 -8.399
333 HZ PHE 45 HZ PHE 45 -9.850 -4.778 -7.915
334 H SER 46 H SER 46 -5.209 -3.262 -13.820
335 HA SER 46 HA SER 46 -2.783 -3.638 -15.079
336 1HB SER 46 1HB SER 46 -4.663 -2.464 -16.127
337 2HB SER 46 2HB SER 46 -4.452 -1.112 -15.016
338 HG SER 46 HG SER 46 -2.468 -2.019 -16.829
339 H ASP 47 H ASP 47 -0.803 -2.570 -15.079
340 HA ASP 47 HA ASP 47 0.315 -1.881 -12.650
341 1HB ASP 47 1HB ASP 47 2.184 -0.918 -13.955
342 2HB ASP 47 2HB ASP 47 1.675 -2.485 -14.579
343 H GLU 48 H GLU 48 -1.055 0.246 -15.125
344 HA GLU 48 HA GLU 48 -0.387 2.689 -13.928
345 1HB GLU 48 1HB GLU 48 -2.154 3.636 -15.342
346 2HB GLU 48 2HB GLU 48 -1.136 2.524 -16.241
347 1HG GLU 48 1HG GLU 48 -2.841 0.787 -16.019
348 2HG GLU 48 2HG GLU 48 -3.864 1.910 -15.127
349 H ASP 49 H ASP 49 -2.940 0.409 -13.292
350 HA ASP 49 HA ASP 49 -4.598 2.166 -11.788
351 1HB ASP 49 1HB ASP 49 -4.481 -0.848 -11.926
352 2HB ASP 49 2HB ASP 49 -5.728 0.061 -11.085
353 H ASN 50 H ASN 50 -1.871 2.271 -10.834
354 HA ASN 50 HA ASN 50 -1.629 0.754 -8.435
355 1HB ASN 50 1HB ASN 50 -0.202 3.189 -9.487
356 2HB ASN 50 2HB ASN 50 0.119 2.563 -7.874
357 1HD2 ASN 50 1HD2 ASN 50 1.414 2.639 -10.756
358 2HD2 ASN 50 2HD2 ASN 50 2.155 1.082 -10.844
359 H THR 51 H THR 51 -2.086 1.305 -6.327
360 HA THR 51 HA THR 51 -3.471 3.858 -5.872
361 HB THR 51 HB THR 51 -4.471 1.154 -4.955
362 HG1 THR 51 HG1 THR 51 -5.753 1.282 -6.631
363 1HG2 THR 51 1HG2 THR 51 -5.397 3.953 -4.341
364 2HG2 THR 51 2HG2 THR 51 -6.439 2.543 -4.155
365 3HG2 THR 51 3HG2 THR 51 -4.957 2.676 -3.208
366 H TRP 52 H TRP 52 -2.733 4.906 -4.144
367 HA TRP 52 HA TRP 52 -0.784 3.673 -2.420
368 1HB TRP 52 1HB TRP 52 -1.958 6.456 -2.306
369 2HB TRP 52 2HB TRP 52 -0.515 5.894 -1.486
370 HD1 TRP 52 HD1 TRP 52 -1.649 5.923 -5.216
371 HE1 TRP 52 HE1 TRP 52 0.356 6.714 -6.625
372 HE3 TRP 52 HE3 TRP 52 1.747 6.608 -1.473
373 HZ2 TRP 52 HZ2 TRP 52 3.026 7.534 -6.199
374 HZ3 TRP 52 HZ3 TRP 52 3.996 7.392 -2.047
375 HH2 TRP 52 HH2 TRP 52 4.630 7.848 -4.362
376 H GLU 53 H GLU 53 -1.198 2.741 -0.516
377 HA GLU 53 HA GLU 53 -3.868 2.944 0.609
378 1HB GLU 53 1HB GLU 53 -1.524 1.213 1.401
379 2HB GLU 53 2HB GLU 53 -3.127 1.137 2.124
380 1HG GLU 53 1HG GLU 53 -2.342 0.454 -0.693
381 2HG GLU 53 2HG GLU 53 -2.976 -0.624 0.551
382 HA PRO 54 HA PRO 54 -2.734 5.874 3.704
383 1HB PRO 54 1HB PRO 54 -4.884 4.890 5.395
384 2HB PRO 54 2HB PRO 54 -4.776 6.408 4.506
385 1HG PRO 54 1HG PRO 54 -6.500 4.411 3.843
386 2HG PRO 54 2HG PRO 54 -5.836 5.553 2.664
387 1HD PRO 54 1HD PRO 54 -5.025 2.735 3.239
388 2HD PRO 54 2HD PRO 54 -5.145 3.580 1.681
389 H GLU 55 H GLU 55 -1.154 3.540 3.894
390 HA GLU 55 HA GLU 55 0.182 2.390 5.309
391 1HB GLU 55 1HB GLU 55 0.628 4.650 6.144
392 2HB GLU 55 2HB GLU 55 -0.710 4.499 7.274
393 1HG GLU 55 1HG GLU 55 0.451 2.647 8.383
394 2HG GLU 55 2HG GLU 55 1.795 2.830 7.258
395 H GLU 56 H GLU 56 -2.294 3.384 7.679
396 HA GLU 56 HA GLU 56 -2.353 1.079 9.151
397 1HB GLU 56 1HB GLU 56 -4.693 2.888 8.541
398 2HB GLU 56 2HB GLU 56 -4.611 1.745 9.874
399 1HG GLU 56 1HG GLU 56 -2.732 2.979 10.822
400 2HG GLU 56 2HG GLU 56 -2.804 4.121 9.481
401 H ASN 57 H ASN 57 -4.141 1.743 6.175
402 HA ASN 57 HA ASN 57 -5.871 -0.443 6.209
403 1HB ASN 57 1HB ASN 57 -4.604 0.974 3.860
404 2HB ASN 57 2HB ASN 57 -5.936 -0.170 3.729
405 1HD2 ASN 57 1HD2 ASN 57 -7.713 0.925 3.298
406 2HD2 ASN 57 2HD2 ASN 57 -8.237 2.367 4.090
407 H LEU 58 H LEU 58 -2.771 -0.206 4.442
408 HA LEU 58 HA LEU 58 -2.727 -2.864 3.601
409 1HB LEU 58 1HB LEU 58 -0.299 -2.515 3.230
410 2HB LEU 58 2HB LEU 58 -1.317 -1.274 2.531
411 HG LEU 58 HG LEU 58 -0.775 0.144 4.567
412 1HD1 LEU 58 1HD1 LEU 58 0.790 -2.267 5.148
413 2HD1 LEU 58 2HD1 LEU 58 1.664 -0.744 5.333
414 3HD1 LEU 58 3HD1 LEU 58 0.171 -1.020 6.233
415 1HD2 LEU 58 1HD2 LEU 58 0.566 -0.264 2.157
416 2HD2 LEU 58 2HD2 LEU 58 0.673 1.145 3.213
417 3HD2 LEU 58 3HD2 LEU 58 1.833 -0.174 3.382
418 H ASP 59 H ASP 59 -0.652 -4.257 4.234
419 HA ASP 59 HA ASP 59 -0.141 -4.365 7.071
420 1HB ASP 59 1HB ASP 59 -2.371 -5.512 6.784
421 2HB ASP 59 2HB ASP 59 -1.557 -6.710 5.775
422 H CYS 60 H CYS 60 1.577 -3.939 4.988
423 HA CYS 60 HA CYS 60 3.076 -6.469 4.836
424 1HB CYS 60 1HB CYS 60 2.986 -4.224 2.810
425 2HB CYS 60 2HB CYS 60 4.030 -5.636 2.705
426 HG CYS 60 HG CYS 60 1.152 -5.314 1.397
427 HA PRO 61 HA PRO 61 5.448 -3.278 7.350
428 1HB PRO 61 1HB PRO 61 6.512 -5.260 8.969
429 2HB PRO 61 2HB PRO 61 5.081 -4.297 9.349
430 1HG PRO 61 1HG PRO 61 5.264 -7.047 8.191
431 2HG PRO 61 2HG PRO 61 4.130 -6.409 9.397
432 1HD PRO 61 1HD PRO 61 3.391 -6.749 6.850
433 2HD PRO 61 2HD PRO 61 2.823 -5.352 7.790
434 H ASP 62 H ASP 62 6.365 -6.488 6.148
435 HA ASP 62 HA ASP 62 9.143 -6.079 6.157
436 1HB ASP 62 1HB ASP 62 8.094 -8.302 5.932
437 2HB ASP 62 2HB ASP 62 7.529 -7.863 4.323
438 H LEU 63 H LEU 63 6.692 -5.428 3.678
439 HA LEU 63 HA LEU 63 8.536 -4.684 1.654
440 1HB LEU 63 1HB LEU 63 5.608 -4.118 2.055
441 2HB LEU 63 2HB LEU 63 6.497 -3.514 0.671
442 HG LEU 63 HG LEU 63 7.048 -5.873 0.066
443 1HD1 LEU 63 1HD1 LEU 63 6.489 -6.598 2.534
444 2HD1 LEU 63 2HD1 LEU 63 4.871 -6.807 1.865
445 3HD1 LEU 63 3HD1 LEU 63 6.232 -7.695 1.178
446 1HD2 LEU 63 1HD2 LEU 63 5.087 -4.499 -0.796
447 2HD2 LEU 63 2HD2 LEU 63 5.010 -6.246 -1.019
448 3HD2 LEU 63 3HD2 LEU 63 4.081 -5.480 0.271
449 H ILE 64 H ILE 64 6.643 -2.842 4.009
450 HA ILE 64 HA ILE 64 7.394 -0.275 3.191
451 HB ILE 64 HB ILE 64 6.694 -1.240 5.970
452 1HG1 ILE 64 1HG1 ILE 64 4.968 0.030 3.832
453 2HG1 ILE 64 2HG1 ILE 64 4.993 -1.688 4.208
454 1HG2 ILE 64 1HG2 ILE 64 7.633 1.289 5.085
455 2HG2 ILE 64 2HG2 ILE 64 5.928 1.455 5.502
456 3HG2 ILE 64 3HG2 ILE 64 7.070 0.827 6.691
457 1HD1 ILE 64 1HD1 ILE 64 4.195 0.487 6.126
458 2HD1 ILE 64 2HD1 ILE 64 3.081 -0.517 5.196
459 3HD1 ILE 64 3HD1 ILE 64 4.125 -1.252 6.413
460 H ALA 65 H ALA 65 8.902 -2.530 5.464
461 HA ALA 65 HA ALA 65 10.992 -0.763 6.260
462 1HB ALA 65 1HB ALA 65 12.044 -3.145 6.836
463 2HB ALA 65 2HB ALA 65 10.785 -2.404 7.824
464 3HB ALA 65 3HB ALA 65 10.362 -3.636 6.636
465 H GLU 66 H GLU 66 10.660 -3.301 3.836
466 HA GLU 66 HA GLU 66 13.314 -3.419 2.950
467 1HB GLU 66 1HB GLU 66 11.607 -5.072 2.314
468 2HB GLU 66 2HB GLU 66 10.756 -3.849 1.380
469 1HG GLU 66 1HG GLU 66 12.663 -3.655 -0.121
470 2HG GLU 66 2HG GLU 66 13.540 -4.856 0.825
471 H PHE 67 H PHE 67 10.646 -1.312 2.120
472 HA PHE 67 HA PHE 67 11.744 -0.005 -0.093
473 1HB PHE 67 1HB PHE 67 9.439 0.262 0.309
474 2HB PHE 67 2HB PHE 67 9.698 0.747 1.979
475 HD1 PHE 67 HD1 PHE 67 9.155 2.897 2.401
476 HD2 PHE 67 HD2 PHE 67 10.869 1.937 -1.371
477 HE1 PHE 67 HE1 PHE 67 9.030 5.260 1.754
478 HE2 PHE 67 HE2 PHE 67 10.749 4.304 -2.033
479 HZ PHE 67 HZ PHE 67 9.832 5.972 -0.467
480 H LEU 68 H LEU 68 11.793 0.885 3.354
481 HA LEU 68 HA LEU 68 13.262 3.259 3.035
482 1HB LEU 68 1HB LEU 68 13.198 1.467 5.458
483 2HB LEU 68 2HB LEU 68 13.585 3.177 5.424
484 HG LEU 68 HG LEU 68 10.890 1.968 4.800
485 1HD1 LEU 68 1HD1 LEU 68 12.099 3.172 7.227
486 2HD1 LEU 68 2HD1 LEU 68 10.403 3.513 6.878
487 3HD1 LEU 68 3HD1 LEU 68 10.945 1.846 7.068
488 1HD2 LEU 68 1HD2 LEU 68 11.659 4.127 3.589
489 2HD2 LEU 68 2HD2 LEU 68 10.073 4.084 4.359
490 3HD2 LEU 68 3HD2 LEU 68 11.422 4.887 5.163
491 H GLN 69 H GLN 69 14.294 -0.067 3.696
492 HA GLN 69 HA GLN 69 16.999 0.444 4.174
493 1HB GLN 69 1HB GLN 69 15.708 -1.987 2.925
494 2HB GLN 69 2HB GLN 69 17.367 -1.921 3.502
495 1HG GLN 69 1HG GLN 69 16.534 -1.438 5.767
496 2HG GLN 69 2HG GLN 69 14.883 -1.591 5.168
497 1HE2 GLN 69 1HE2 GLN 69 13.997 -3.468 5.597
498 2HE2 GLN 69 2HE2 GLN 69 14.812 -4.987 5.706
499 H SER 70 H SER 70 15.252 -0.045 1.146
500 HA SER 70 HA SER 70 17.411 -0.252 -0.605
501 1HB SER 70 1HB SER 70 15.049 -0.638 -1.255
502 2HB SER 70 2HB SER 70 14.743 1.095 -1.124
503 HG SER 70 HG SER 70 16.457 -0.234 -2.948
504 H GLN 71 H GLN 71 15.602 2.637 0.371
505 HA GLN 71 HA GLN 71 17.328 4.440 -1.012
506 1HB GLN 71 1HB GLN 71 15.360 5.083 1.186
507 2HB GLN 71 2HB GLN 71 15.969 6.173 -0.053
508 1HG GLN 71 1HG GLN 71 14.822 4.930 -1.770
509 2HG GLN 71 2HG GLN 71 14.288 3.738 -0.590
510 1HE2 GLN 71 1HE2 GLN 71 13.183 6.108 -2.395
511 2HE2 GLN 71 2HE2 GLN 71 11.940 6.745 -1.383
512 H LYS 72 H LYS 72 16.703 5.659 2.082
513 HA LYS 72 HA LYS 72 18.015 6.187 3.867
514 1HB LYS 72 1HB LYS 72 18.306 3.711 4.002
515 2HB LYS 72 2HB LYS 72 19.727 3.857 2.977
516 1HG LYS 72 1HG LYS 72 20.810 5.241 4.686
517 2HG LYS 72 2HG LYS 72 19.387 5.072 5.715
518 1HD LYS 72 1HD LYS 72 20.979 3.490 6.486
519 2HD LYS 72 2HD LYS 72 19.746 2.580 5.614
520 1HE LYS 72 1HE LYS 72 22.393 3.447 4.454
521 2HE LYS 72 2HE LYS 72 22.064 1.848 5.113
522 1HZ LYS 72 1HZ LYS 72 20.118 1.924 3.400
523 2HZ LYS 72 2HZ LYS 72 21.099 3.067 2.627
524 3HZ LYS 72 3HZ LYS 72 21.679 1.504 2.904
525 H THR 73 H THR 73 18.352 7.846 1.881
526 HA THR 73 HA THR 73 19.754 9.161 0.628
527 HB THR 73 HB THR 73 20.013 10.108 2.869
528 HG1 THR 73 HG1 THR 73 21.329 11.370 1.809
529 1HG2 THR 73 1HG2 THR 73 21.006 7.970 3.851
530 2HG2 THR 73 2HG2 THR 73 22.545 8.516 3.186
531 3HG2 THR 73 3HG2 THR 73 21.707 9.496 4.388
532 H ALA 74 H ALA 74 20.113 6.480 0.023
533 HA ALA 74 HA ALA 74 22.562 6.509 -1.367
534 1HB ALA 74 1HB ALA 74 23.558 6.095 0.813
535 2HB ALA 74 2HB ALA 74 22.482 4.718 1.063
536 3HB ALA 74 3HB ALA 74 23.707 4.662 -0.206
537 H HIS 75 H HIS 75 20.145 6.132 -2.337
538 HA HIS 75 HA HIS 75 18.878 3.719 -2.328
539 1HB HIS 75 1HB HIS 75 19.399 5.372 -4.813
540 2HB HIS 75 2HB HIS 75 18.097 4.213 -4.590
541 HD1 HIS 75 HD1 HIS 75 16.875 6.625 -5.348
542 HD2 HIS 75 HD2 HIS 75 18.194 6.211 -1.430
543 HE1 HIS 75 HE1 HIS 75 15.615 8.354 -4.031
544 HE2 HIS 75 HE2 HIS 75 16.509 8.157 -1.683
545 H GLU 76 H GLU 76 19.207 1.711 -3.119
546 HA GLU 76 HA GLU 76 21.802 0.853 -3.766
547 1HB GLU 76 1HB GLU 76 20.117 -0.620 -2.764
548 2HB GLU 76 2HB GLU 76 19.161 -0.540 -4.237
549 1HG GLU 76 1HG GLU 76 20.951 -1.640 -5.470
550 2HG GLU 76 2HG GLU 76 21.927 -1.706 -4.003
551 H THR 77 H THR 77 22.857 0.575 -5.645
552 HA THR 77 HA THR 77 22.046 1.927 -7.961
553 HB THR 77 HB THR 77 23.938 0.791 -9.082
554 HG1 THR 77 HG1 THR 77 25.181 -0.681 -7.810
555 1HG2 THR 77 1HG2 THR 77 24.104 2.312 -6.592
556 2HG2 THR 77 2HG2 THR 77 25.560 1.383 -6.943
557 3HG2 THR 77 3HG2 THR 77 24.952 2.548 -8.119
558 H ASP 78 H ASP 78 21.050 1.329 -9.796
559 HA ASP 78 HA ASP 78 19.927 0.102 -11.345
560 1HB ASP 78 1HB ASP 78 20.998 -2.295 -9.845
561 2HB ASP 78 2HB ASP 78 20.144 -2.365 -11.382
562 H LYS 79 H LYS 79 19.589 -1.386 -8.122
563 HA LYS 79 HA LYS 79 17.776 -1.722 -6.797
564 1HB LYS 79 1HB LYS 79 16.994 0.502 -7.493
565 2HB LYS 79 2HB LYS 79 16.231 -0.207 -8.909
566 1HG LYS 79 1HG LYS 79 14.725 -1.476 -7.487
567 2HG LYS 79 2HG LYS 79 15.512 -0.822 -6.050
568 1HD LYS 79 1HD LYS 79 14.844 1.444 -6.739
569 2HD LYS 79 2HD LYS 79 14.020 0.760 -8.143
570 1HE LYS 79 1HE LYS 79 13.371 0.196 -5.252
571 2HE LYS 79 2HE LYS 79 12.446 1.233 -6.337
572 1HZ LYS 79 1HZ LYS 79 12.102 -0.751 -7.761
573 2HZ LYS 79 2HZ LYS 79 12.830 -1.701 -6.565
574 3HZ LYS 79 3HZ LYS 79 11.388 -0.883 -6.232
575 H SER 80 H SER 80 17.240 -2.291 -10.253
576 HA SER 80 HA SER 80 16.304 -4.016 -11.392
577 1HB SER 80 1HB SER 80 18.036 -5.319 -10.250
578 2HB SER 80 2HB SER 80 16.970 -5.544 -8.864
579 HG SER 80 HG SER 80 16.893 -6.726 -11.388
580 H1 ALA 1 H1 ALA 1 9.406 -11.469 8.487
581 H2 ALA 1 H2 ALA 1 8.554 -10.719 9.742
582 H3 ALA 1 H3 ALA 1 9.747 -11.867 10.096
583 HA ALA 1 HA ALA 1 8.096 -13.317 10.249
584 1HB ALA 1 1HB ALA 1 6.311 -11.699 8.458
585 2HB ALA 1 2HB ALA 1 6.544 -11.295 10.159
586 3HB ALA 1 3HB ALA 1 5.861 -12.858 9.709
587 H ARG 2 H ARG 2 8.385 -11.903 7.010
588 HA ARG 2 HA ARG 2 8.613 -12.828 4.943
589 1HB ARG 2 1HB ARG 2 10.618 -13.800 6.104
590 2HB ARG 2 2HB ARG 2 9.664 -15.235 6.442
591 1HG ARG 2 1HG ARG 2 9.401 -15.621 4.038
592 2HG ARG 2 2HG ARG 2 10.377 -14.187 3.709
593 1HD ARG 2 1HD ARG 2 12.272 -15.204 4.862
594 2HD ARG 2 2HD ARG 2 11.298 -16.628 5.223
595 HE ARG 2 HE ARG 2 11.277 -16.238 2.457
596 1HH1 ARG 2 1HH1 ARG 2 13.528 -17.067 4.987
597 2HH1 ARG 2 2HH1 ARG 2 14.543 -18.013 3.950
598 1HH2 ARG 2 1HH2 ARG 2 12.609 -17.485 1.086
599 2HH2 ARG 2 2HH2 ARG 2 14.022 -18.250 1.735
600 H THR 3 H THR 3 6.096 -13.101 6.239
601 HA THR 3 HA THR 3 5.109 -15.765 5.701
602 HB THR 3 HB THR 3 2.912 -14.852 6.374
603 HG1 THR 3 HG1 THR 3 4.286 -12.470 6.052
604 1HG2 THR 3 1HG2 THR 3 5.332 -14.566 8.086
605 2HG2 THR 3 2HG2 THR 3 3.794 -13.968 8.707
606 3HG2 THR 3 3HG2 THR 3 3.959 -15.661 8.246
607 H GLN 5 H GLN 5 2.246 -12.291 4.224
608 HA GLN 5 HA GLN 5 2.382 -10.027 4.042
609 1HB GLN 5 1HB GLN 5 3.672 -10.573 1.361
610 2HB GLN 5 2HB GLN 5 3.712 -9.050 2.241
611 1HG GLN 5 1HG GLN 5 5.015 -10.058 4.003
612 2HG GLN 5 2HG GLN 5 4.899 -11.635 3.221
613 1HE2 GLN 5 1HE2 GLN 5 6.877 -9.101 3.715
614 2HE2 GLN 5 2HE2 GLN 5 7.898 -9.234 2.329
615 H THR 6 H THR 6 0.547 -8.931 3.793
616 HA THR 6 HA THR 6 -0.637 -8.624 1.156
617 HB THR 6 HB THR 6 -2.871 -9.314 1.801
618 HG1 THR 6 HG1 THR 6 -1.661 -9.981 4.295
619 1HG2 THR 6 1HG2 THR 6 -1.081 -11.014 1.015
620 2HG2 THR 6 2HG2 THR 6 -1.167 -11.606 2.675
621 3HG2 THR 6 3HG2 THR 6 -2.611 -11.611 1.662
622 H ALA 7 H ALA 7 -1.259 -6.554 0.946
623 HA ALA 7 HA ALA 7 -1.432 -4.871 3.288
624 1HB ALA 7 1HB ALA 7 -0.443 -3.676 1.598
625 2HB ALA 7 2HB ALA 7 -1.468 -4.383 0.346
626 3HB ALA 7 3HB ALA 7 -2.121 -3.151 1.430
627 H ARG 8 H ARG 8 -3.594 -3.400 1.436
628 HA ARG 8 HA ARG 8 -5.938 -4.901 1.543
629 1HB ARG 8 1HB ARG 8 -5.518 -4.843 3.988
630 2HB ARG 8 2HB ARG 8 -5.606 -3.088 3.936
631 1HG ARG 8 1HG ARG 8 -7.918 -3.175 3.276
632 2HG ARG 8 2HG ARG 8 -7.854 -4.938 3.155
633 1HD ARG 8 1HD ARG 8 -7.439 -3.314 5.667
634 2HD ARG 8 2HD ARG 8 -8.896 -4.216 5.252
635 HE ARG 8 HE ARG 8 -6.746 -5.989 5.179
636 1HH1 ARG 8 1HH1 ARG 8 -8.466 -4.051 7.510
637 2HH1 ARG 8 2HH1 ARG 8 -8.150 -5.128 8.829
638 1HH2 ARG 8 1HH2 ARG 8 -6.324 -7.411 6.913
639 2HH2 ARG 8 2HH2 ARG 8 -6.933 -7.037 8.490
640 H SER 10 H SER 10 -8.641 0.393 -0.874
641 HA SER 10 HA SER 10 -8.414 1.643 1.700
642 1HB SER 10 1HB SER 10 -9.718 2.611 -0.855
643 2HB SER 10 2HB SER 10 -9.439 3.599 0.579
644 HG SER 10 HG SER 10 -7.136 2.858 0.243
645 H THR 11 H THR 11 -9.911 -0.463 2.243
646 HA THR 11 HA THR 11 -11.875 -1.233 3.076
647 HB THR 11 HB THR 11 -13.242 0.322 4.336
648 HG1 THR 11 HG1 THR 11 -13.161 2.480 4.023
649 1HG2 THR 11 1HG2 THR 11 -10.721 -0.255 4.920
650 2HG2 THR 11 2HG2 THR 11 -10.533 1.488 4.724
651 3HG2 THR 11 3HG2 THR 11 -11.670 0.852 5.912
652 H GLY 12 H GLY 12 -11.979 -1.310 0.416
653 1HA GLY 12 1HA GLY 12 -14.787 -1.095 -0.103
654 2HA GLY 12 2HA GLY 12 -13.562 -1.677 -1.220
655 H GLY 13 H GLY 13 -14.018 -0.588 -3.034
656 1HA GLY 13 1HA GLY 13 -14.967 2.051 -3.190
657 2HA GLY 13 2HA GLY 13 -14.229 1.154 -4.506
658 H LYS 14 H LYS 14 -13.982 3.979 -3.821
659 HA LYS 14 HA LYS 14 -11.090 4.134 -3.933
660 1HB LYS 14 1HB LYS 14 -12.400 5.450 -5.512
661 2HB LYS 14 2HB LYS 14 -13.215 6.269 -4.187
662 1HG LYS 14 1HG LYS 14 -11.058 7.230 -3.487
663 2HG LYS 14 2HG LYS 14 -10.286 6.451 -4.869
664 1HD LYS 14 1HD LYS 14 -10.760 8.773 -5.382
665 2HD LYS 14 2HD LYS 14 -11.762 7.718 -6.380
666 1HE LYS 14 1HE LYS 14 -13.647 8.073 -4.860
667 2HE LYS 14 2HE LYS 14 -12.643 9.119 -3.856
668 1HZ LYS 14 1HZ LYS 14 -12.402 10.194 -6.337
669 2HZ LYS 14 2HZ LYS 14 -14.021 9.710 -6.300
670 3HZ LYS 14 3HZ LYS 14 -13.427 10.759 -5.116
671 H ALA 15 H ALA 15 -13.688 5.528 -1.944
672 HA ALA 15 HA ALA 15 -12.212 5.329 0.463
673 1HB ALA 15 1HB ALA 15 -10.912 7.139 0.231
674 2HB ALA 15 2HB ALA 15 -12.380 8.058 0.561
675 3HB ALA 15 3HB ALA 15 -11.874 7.774 -1.104
676 HA PRO 16 HA PRO 16 -16.354 5.628 1.986
677 1HB PRO 16 1HB PRO 16 -15.197 6.589 4.527
678 2HB PRO 16 2HB PRO 16 -16.147 5.136 4.203
679 1HG PRO 16 1HG PRO 16 -13.523 4.999 4.721
680 2HG PRO 16 2HG PRO 16 -14.298 3.908 3.556
681 1HD PRO 16 1HD PRO 16 -12.648 6.358 3.055
682 2HD PRO 16 2HD PRO 16 -12.641 4.800 2.201
683 H GLY 17 H GLY 17 -16.757 7.499 4.305
684 1HA GLY 17 1HA GLY 17 -17.586 9.613 4.626
685 2HA GLY 17 2HA GLY 17 -17.797 9.689 2.883
686 H GLY 18 H GLY 18 -17.032 11.647 2.348
687 1HA GLY 18 1HA GLY 18 -14.258 12.120 2.266
688 2HA GLY 18 2HA GLY 18 -14.939 13.007 3.622
No H/Q in entry = 688
Start of MODEL 16
1 H1 HIS 8 H1 HIS 8 -25.839 12.617 1.558
2 H2 HIS 8 H2 HIS 8 -25.484 14.234 1.905
3 H3 HIS 8 H3 HIS 8 -24.878 13.516 0.497
4 HA HIS 8 HA HIS 8 -23.022 13.234 1.678
5 1HB HIS 8 1HB HIS 8 -24.780 13.355 4.140
6 2HB HIS 8 2HB HIS 8 -23.023 13.282 4.164
7 HD1 HIS 8 HD1 HIS 8 -23.911 15.619 5.572
8 HD2 HIS 8 HD2 HIS 8 -23.685 15.665 1.423
9 HE1 HIS 8 HE1 HIS 8 -23.779 18.048 4.932
10 HE2 HIS 8 HE2 HIS 8 -23.626 18.051 2.418
11 H MET 9 H MET 9 -25.755 11.427 3.052
12 HA MET 9 HA MET 9 -26.120 9.213 3.395
13 1HB MET 9 1HB MET 9 -25.504 9.003 1.021
14 2HB MET 9 2HB MET 9 -23.814 8.835 1.478
15 1HG MET 9 1HG MET 9 -24.787 6.680 0.967
16 2HG MET 9 2HG MET 9 -24.333 6.771 2.667
17 1HE MET 9 1HE MET 9 -27.389 8.415 0.910
18 2HE MET 9 2HE MET 9 -27.377 6.842 0.113
19 3HE MET 9 3HE MET 9 -28.686 7.261 1.218
20 H VAL 10 H VAL 10 -25.604 7.780 4.951
21 HA VAL 10 HA VAL 10 -23.529 8.347 6.750
22 HB VAL 10 HB VAL 10 -24.096 6.209 7.836
23 1HG1 VAL 10 1HG1 VAL 10 -25.706 8.447 7.534
24 2HG1 VAL 10 2HG1 VAL 10 -26.802 7.085 7.297
25 3HG1 VAL 10 3HG1 VAL 10 -25.851 7.205 8.777
26 1HG2 VAL 10 1HG2 VAL 10 -25.061 5.566 5.214
27 2HG2 VAL 10 2HG2 VAL 10 -24.855 4.514 6.615
28 3HG2 VAL 10 3HG2 VAL 10 -26.366 5.395 6.388
29 H GLU 11 H GLU 11 -21.569 7.364 7.177
30 HA GLU 11 HA GLU 11 -20.621 5.324 5.300
31 1HB GLU 11 1HB GLU 11 -19.131 7.878 5.937
32 2HB GLU 11 2HB GLU 11 -18.492 6.537 4.998
33 1HG GLU 11 1HG GLU 11 -20.895 8.183 4.239
34 2HG GLU 11 2HG GLU 11 -19.265 8.412 3.609
35 H GLU 12 H GLU 12 -19.931 7.204 8.229
36 HA GLU 12 HA GLU 12 -17.918 5.553 9.265
37 1HB GLU 12 1HB GLU 12 -19.925 7.270 10.739
38 2HB GLU 12 2HB GLU 12 -18.479 6.573 11.455
39 1HG GLU 12 1HG GLU 12 -18.496 8.530 9.169
40 2HG GLU 12 2HG GLU 12 -18.225 8.948 10.860
41 H VAL 13 H VAL 13 -17.920 3.756 10.523
42 HA VAL 13 HA VAL 13 -18.636 1.834 11.508
43 HB VAL 13 HB VAL 13 -21.281 3.254 11.863
44 1HG1 VAL 13 1HG1 VAL 13 -20.086 0.780 13.070
45 2HG1 VAL 13 2HG1 VAL 13 -21.367 1.685 13.878
46 3HG1 VAL 13 3HG1 VAL 13 -21.653 0.982 12.286
47 1HG2 VAL 13 1HG2 VAL 13 -18.974 4.204 12.820
48 2HG2 VAL 13 2HG2 VAL 13 -20.494 4.316 13.707
49 3HG2 VAL 13 3HG2 VAL 13 -19.342 3.036 14.088
50 H LEU 14 H LEU 14 -18.979 0.041 10.401
51 HA LEU 14 HA LEU 14 -19.771 -1.472 8.910
52 1HB LEU 14 1HB LEU 14 -22.237 0.117 9.496
53 2HB LEU 14 2HB LEU 14 -22.271 -1.100 8.235
54 HG LEU 14 HG LEU 14 -23.133 -1.969 10.352
55 1HD1 LEU 14 1HD1 LEU 14 -21.474 -3.234 8.653
56 2HD1 LEU 14 2HD1 LEU 14 -20.585 -3.431 10.163
57 3HD1 LEU 14 3HD1 LEU 14 -22.246 -4.011 10.035
58 1HD2 LEU 14 1HD2 LEU 14 -20.440 -1.137 11.374
59 2HD2 LEU 14 2HD2 LEU 14 -22.037 -0.768 12.027
60 3HD2 LEU 14 3HD2 LEU 14 -21.382 -2.400 12.166
61 H GLU 15 H GLU 15 -19.068 -1.563 6.911
62 HA GLU 15 HA GLU 15 -20.185 -0.229 4.731
63 1HB GLU 15 1HB GLU 15 -18.352 1.319 4.128
64 2HB GLU 15 2HB GLU 15 -19.177 1.797 5.604
65 1HG GLU 15 1HG GLU 15 -17.364 0.855 6.933
66 2HG GLU 15 2HG GLU 15 -16.539 0.355 5.458
67 H GLU 16 H GLU 16 -19.332 -2.820 5.436
68 HA GLU 16 HA GLU 16 -18.336 -4.647 4.532
69 1HB GLU 16 1HB GLU 16 -17.709 -2.784 2.237
70 2HB GLU 16 2HB GLU 16 -17.593 -4.537 2.191
71 1HG GLU 16 1HG GLU 16 -20.112 -2.945 2.619
72 2HG GLU 16 2HG GLU 16 -19.630 -3.747 1.124
73 H GLU 17 H GLU 17 -16.525 -5.531 5.241
74 HA GLU 17 HA GLU 17 -14.210 -3.902 5.787
75 1HB GLU 17 1HB GLU 17 -13.278 -5.877 6.840
76 2HB GLU 17 2HB GLU 17 -14.943 -5.662 7.360
77 1HG GLU 17 1HG GLU 17 -14.029 -7.586 5.231
78 2HG GLU 17 2HG GLU 17 -14.362 -8.007 6.909
79 H GLU 18 H GLU 18 -12.347 -3.791 4.661
80 HA GLU 18 HA GLU 18 -12.286 -4.871 2.026
81 1HB GLU 18 1HB GLU 18 -10.315 -3.279 3.598
82 2HB GLU 18 2HB GLU 18 -9.973 -3.845 1.975
83 1HG GLU 18 1HG GLU 18 -12.259 -2.055 2.761
84 2HG GLU 18 2HG GLU 18 -10.754 -1.527 2.015
85 H GLU 19 H GLU 19 -11.313 -6.640 1.262
86 HA GLU 19 HA GLU 19 -10.219 -8.551 3.099
87 1HB GLU 19 1HB GLU 19 -11.575 -9.251 1.174
88 2HB GLU 19 2HB GLU 19 -10.368 -8.590 0.080
89 1HG GLU 19 1HG GLU 19 -8.737 -10.210 0.884
90 2HG GLU 19 2HG GLU 19 -9.928 -10.862 2.006
91 H GLU 20 H GLU 20 -8.099 -9.334 3.180
92 HA GLU 20 HA GLU 20 -6.063 -7.404 2.762
93 1HB GLU 20 1HB GLU 20 -5.837 -10.345 3.422
94 2HB GLU 20 2HB GLU 20 -4.512 -9.195 3.491
95 1HG GLU 20 1HG GLU 20 -5.331 -9.556 5.702
96 2HG GLU 20 2HG GLU 20 -5.759 -7.921 5.202
97 H TYR 21 H TYR 21 -6.424 -7.038 0.440
98 HA TYR 21 HA TYR 21 -5.965 -8.991 -1.519
99 1HB TYR 21 1HB TYR 21 -5.845 -5.996 -1.511
100 2HB TYR 21 2HB TYR 21 -5.315 -6.891 -2.930
101 HD1 TYR 21 HD1 TYR 21 -8.169 -7.556 -0.616
102 HD2 TYR 21 HD2 TYR 21 -6.937 -6.505 -4.548
103 HE1 TYR 21 HE1 TYR 21 -10.501 -7.711 -1.380
104 HE2 TYR 21 HE2 TYR 21 -9.265 -6.657 -5.324
105 HH TYR 21 HH TYR 21 -11.513 -6.563 -4.442
106 H VAL 22 H VAL 22 -4.196 -9.790 -2.465
107 HA VAL 22 HA VAL 22 -1.697 -9.592 -1.157
108 HB VAL 22 HB VAL 22 -2.191 -10.688 -3.925
109 1HG1 VAL 22 1HG1 VAL 22 0.179 -10.326 -3.052
110 2HG1 VAL 22 2HG1 VAL 22 -0.173 -11.622 -1.909
111 3HG1 VAL 22 3HG1 VAL 22 -0.227 -11.937 -3.643
112 1HG2 VAL 22 1HG2 VAL 22 -3.362 -11.528 -1.509
113 2HG2 VAL 22 2HG2 VAL 22 -3.382 -12.352 -3.068
114 3HG2 VAL 22 3HG2 VAL 22 -2.109 -12.706 -1.901
115 H VAL 23 H VAL 23 0.115 -8.458 -1.617
116 HA VAL 23 HA VAL 23 0.084 -6.720 -3.988
117 HB VAL 23 HB VAL 23 -0.461 -5.306 -2.107
118 1HG1 VAL 23 1HG1 VAL 23 0.669 -6.896 -0.437
119 2HG1 VAL 23 2HG1 VAL 23 2.135 -5.974 -0.774
120 3HG1 VAL 23 3HG1 VAL 23 0.713 -5.162 -0.113
121 1HG2 VAL 23 1HG2 VAL 23 2.400 -4.949 -2.989
122 2HG2 VAL 23 2HG2 VAL 23 0.963 -4.340 -3.809
123 3HG2 VAL 23 3HG2 VAL 23 1.410 -3.706 -2.225
124 H GLU 24 H GLU 24 1.927 -6.659 -5.134
125 HA GLU 24 HA GLU 24 3.896 -8.624 -4.674
126 1HB GLU 24 1HB GLU 24 3.296 -7.882 -6.916
127 2HB GLU 24 2HB GLU 24 3.918 -6.274 -6.571
128 1HG GLU 24 1HG GLU 24 6.164 -7.183 -6.326
129 2HG GLU 24 2HG GLU 24 5.548 -8.805 -6.642
130 H LYS 25 H LYS 25 4.504 -5.112 -4.979
131 HA LYS 25 HA LYS 25 6.226 -5.143 -2.628
132 1HB LYS 25 1HB LYS 25 7.303 -4.511 -5.377
133 2HB LYS 25 2HB LYS 25 8.175 -4.284 -3.868
134 1HG LYS 25 1HG LYS 25 8.138 -6.691 -3.474
135 2HG LYS 25 2HG LYS 25 7.244 -6.924 -4.978
136 1HD LYS 25 1HD LYS 25 9.123 -5.949 -6.228
137 2HD LYS 25 2HD LYS 25 10.017 -5.763 -4.718
138 1HE LYS 25 1HE LYS 25 9.069 -8.366 -5.912
139 2HE LYS 25 2HE LYS 25 10.725 -7.763 -5.926
140 1HZ LYS 25 1HZ LYS 25 10.309 -7.684 -3.350
141 2HZ LYS 25 2HZ LYS 25 9.173 -8.885 -3.714
142 3HZ LYS 25 3HZ LYS 25 10.802 -9.111 -4.113
143 H VAL 26 H VAL 26 6.583 -3.184 -1.743
144 HA VAL 26 HA VAL 26 4.802 -1.092 -2.311
145 HB VAL 26 HB VAL 26 7.001 -1.560 -0.437
146 1HG1 VAL 26 1HG1 VAL 26 7.921 0.375 -1.655
147 2HG1 VAL 26 2HG1 VAL 26 6.453 1.277 -1.270
148 3HG1 VAL 26 3HG1 VAL 26 7.526 0.743 0.024
149 1HG2 VAL 26 1HG2 VAL 26 4.583 -1.526 0.106
150 2HG2 VAL 26 2HG2 VAL 26 5.541 -0.417 1.089
151 3HG2 VAL 26 3HG2 VAL 26 4.571 0.205 -0.254
152 H LEU 27 H LEU 27 4.928 0.599 -3.683
153 HA LEU 27 HA LEU 27 7.238 0.700 -5.444
154 1HB LEU 27 1HB LEU 27 4.568 2.092 -5.624
155 2HB LEU 27 2HB LEU 27 5.836 2.187 -6.833
156 HG LEU 27 HG LEU 27 4.362 -0.326 -6.037
157 1HD1 LEU 27 1HD1 LEU 27 3.969 1.689 -8.173
158 2HD1 LEU 27 2HD1 LEU 27 3.745 -0.007 -8.597
159 3HD1 LEU 27 3HD1 LEU 27 2.788 0.712 -7.304
160 1HD2 LEU 27 1HD2 LEU 27 6.783 0.174 -7.621
161 2HD2 LEU 27 2HD2 LEU 27 6.227 -1.300 -6.826
162 3HD2 LEU 27 3HD2 LEU 27 5.580 -0.851 -8.404
163 H ASP 28 H ASP 28 5.429 2.870 -3.268
164 HA ASP 28 HA ASP 28 7.812 4.395 -2.757
165 1HB ASP 28 1HB ASP 28 5.635 5.612 -4.457
166 2HB ASP 28 2HB ASP 28 6.773 6.590 -3.539
167 H ARG 29 H ARG 29 6.387 6.834 -2.084
168 HA ARG 29 HA ARG 29 4.268 6.292 -0.270
169 1HB ARG 29 1HB ARG 29 5.419 6.669 1.825
170 2HB ARG 29 2HB ARG 29 6.153 5.301 1.000
171 1HG ARG 29 1HG ARG 29 7.997 6.687 0.269
172 2HG ARG 29 2HG ARG 29 7.244 8.107 0.998
173 1HD ARG 29 1HD ARG 29 7.396 7.005 3.206
174 2HD ARG 29 2HD ARG 29 8.236 5.654 2.445
175 HE ARG 29 HE ARG 29 9.618 7.979 1.788
176 1HH1 ARG 29 1HH1 ARG 29 8.856 6.112 4.632
177 2HH1 ARG 29 2HH1 ARG 29 10.294 6.578 5.478
178 1HH2 ARG 29 1HH2 ARG 29 11.510 8.596 2.894
179 2HH2 ARG 29 2HH2 ARG 29 11.802 7.990 4.490
180 H ARG 30 H ARG 30 3.249 8.169 0.316
181 HA ARG 30 HA ARG 30 4.630 10.701 0.234
182 1HB ARG 30 1HB ARG 30 3.230 11.722 -1.475
183 2HB ARG 30 2HB ARG 30 4.099 10.347 -2.144
184 1HG ARG 30 1HG ARG 30 2.064 8.975 -1.876
185 2HG ARG 30 2HG ARG 30 1.207 10.409 -1.308
186 1HD ARG 30 1HD ARG 30 1.732 11.517 -3.458
187 2HD ARG 30 2HD ARG 30 2.472 10.019 -4.018
188 HE ARG 30 HE ARG 30 -0.125 9.436 -3.178
189 1HH1 ARG 30 1HH1 ARG 30 1.488 11.245 -5.685
190 2HH1 ARG 30 2HH1 ARG 30 0.198 11.058 -6.825
191 1HH2 ARG 30 1HH2 ARG 30 -1.824 9.183 -4.676
192 2HH2 ARG 30 2HH2 ARG 30 -1.683 9.886 -6.254
193 H VAL 31 H VAL 31 3.789 12.030 1.728
194 HA VAL 31 HA VAL 31 1.312 11.229 3.025
195 HB VAL 31 HB VAL 31 3.423 13.248 3.772
196 1HG1 VAL 31 1HG1 VAL 31 1.224 14.182 4.339
197 2HG1 VAL 31 2HG1 VAL 31 0.823 12.700 5.207
198 3HG1 VAL 31 3HG1 VAL 31 2.129 13.734 5.785
199 1HG2 VAL 31 1HG2 VAL 31 3.442 10.616 4.165
200 2HG2 VAL 31 2HG2 VAL 31 4.092 11.748 5.350
201 3HG2 VAL 31 3HG2 VAL 31 2.470 11.084 5.560
202 H VAL 32 H VAL 32 -0.532 12.409 3.116
203 HA VAL 32 HA VAL 32 -0.672 15.060 1.977
204 HB VAL 32 HB VAL 32 -0.890 13.726 -0.048
205 1HG1 VAL 32 1HG1 VAL 32 -2.088 11.848 1.552
206 2HG1 VAL 32 2HG1 VAL 32 -3.440 12.479 0.612
207 3HG1 VAL 32 3HG1 VAL 32 -2.029 11.811 -0.210
208 1HG2 VAL 32 1HG2 VAL 32 -2.543 15.723 0.706
209 2HG2 VAL 32 2HG2 VAL 32 -2.562 14.980 -0.893
210 3HG2 VAL 32 3HG2 VAL 32 -3.715 14.459 0.335
211 H LYS 33 H LYS 33 -2.179 16.219 2.987
212 HA LYS 33 HA LYS 33 -3.987 16.791 4.248
213 1HB LYS 33 1HB LYS 33 -4.780 13.874 4.173
214 2HB LYS 33 2HB LYS 33 -5.792 15.222 4.673
215 1HG LYS 33 1HG LYS 33 -5.691 16.124 2.392
216 2HG LYS 33 2HG LYS 33 -4.717 14.736 1.905
217 1HD LYS 33 1HD LYS 33 -6.558 13.239 2.543
218 2HD LYS 33 2HD LYS 33 -7.533 14.642 2.984
219 1HE LYS 33 1HE LYS 33 -8.132 13.840 0.766
220 2HE LYS 33 2HE LYS 33 -7.411 15.447 0.674
221 1HZ LYS 33 1HZ LYS 33 -5.244 14.077 0.291
222 2HZ LYS 33 2HZ LYS 33 -6.319 12.869 -0.205
223 3HZ LYS 33 3HZ LYS 33 -6.309 14.366 -0.992
224 H GLY 34 H GLY 34 -2.224 13.867 5.143
225 1HA GLY 34 1HA GLY 34 -2.740 14.294 7.968
226 2HA GLY 34 2HA GLY 34 -1.098 14.627 7.442
227 H LYS 35 H LYS 35 -2.834 12.131 5.812
228 HA LYS 35 HA LYS 35 -1.609 10.067 7.468
229 1HB LYS 35 1HB LYS 35 -3.136 8.524 6.354
230 2HB LYS 35 2HB LYS 35 -4.005 9.847 7.103
231 1HG LYS 35 1HG LYS 35 -3.292 9.845 4.186
232 2HG LYS 35 2HG LYS 35 -4.765 9.093 4.799
233 1HD LYS 35 1HD LYS 35 -3.993 11.979 5.221
234 2HD LYS 35 2HD LYS 35 -5.117 11.407 3.987
235 1HE LYS 35 1HE LYS 35 -6.579 10.514 5.732
236 2HE LYS 35 2HE LYS 35 -5.448 11.065 6.968
237 1HZ LYS 35 1HZ LYS 35 -5.863 13.337 5.686
238 2HZ LYS 35 2HZ LYS 35 -7.350 12.591 5.376
239 3HZ LYS 35 3HZ LYS 35 -6.839 12.825 6.972
240 H VAL 36 H VAL 36 -0.179 8.610 6.709
241 HA VAL 36 HA VAL 36 1.241 9.262 4.280
242 HB VAL 36 HB VAL 36 1.755 6.802 5.917
243 1HG1 VAL 36 1HG1 VAL 36 2.952 7.447 3.730
244 2HG1 VAL 36 2HG1 VAL 36 3.790 8.639 4.723
245 3HG1 VAL 36 3HG1 VAL 36 3.923 6.922 5.106
246 1HG2 VAL 36 1HG2 VAL 36 1.667 9.387 7.018
247 2HG2 VAL 36 2HG2 VAL 36 2.297 7.911 7.752
248 3HG2 VAL 36 3HG2 VAL 36 3.372 8.971 6.837
249 H GLU 37 H GLU 37 1.321 8.033 2.400
250 HA GLU 37 HA GLU 37 -0.242 5.558 2.319
251 1HB GLU 37 1HB GLU 37 -1.332 6.233 0.214
252 2HB GLU 37 2HB GLU 37 -1.802 7.248 1.570
253 1HG GLU 37 1HG GLU 37 -0.161 8.934 0.806
254 2HG GLU 37 2HG GLU 37 0.150 7.934 -0.610
255 H TYR 38 H TYR 38 0.789 3.993 1.316
256 HA TYR 38 HA TYR 38 3.135 4.668 -0.317
257 1HB TYR 38 1HB TYR 38 2.434 2.215 1.282
258 2HB TYR 38 2HB TYR 38 3.732 2.220 0.095
259 HD1 TYR 38 HD1 TYR 38 2.618 4.475 2.877
260 HD2 TYR 38 HD2 TYR 38 5.825 2.393 1.011
261 HE1 TYR 38 HE1 TYR 38 4.165 5.345 4.575
262 HE2 TYR 38 HE2 TYR 38 7.384 3.263 2.701
263 HH TYR 38 HH TYR 38 6.306 5.539 5.192
264 H LEU 39 H LEU 39 3.205 4.209 -2.412
265 HA LEU 39 HA LEU 39 0.927 3.238 -3.789
266 1HB LEU 39 1HB LEU 39 2.682 4.773 -4.730
267 2HB LEU 39 2HB LEU 39 3.769 3.401 -4.806
268 HG LEU 39 HG LEU 39 2.312 2.301 -6.420
269 1HD1 LEU 39 1HD1 LEU 39 0.286 3.708 -5.378
270 2HD1 LEU 39 2HD1 LEU 39 0.620 4.680 -6.811
271 3HD1 LEU 39 3HD1 LEU 39 0.233 2.968 -6.977
272 1HD2 LEU 39 1HD2 LEU 39 2.961 5.155 -7.125
273 2HD2 LEU 39 2HD2 LEU 39 4.033 3.764 -7.279
274 3HD2 LEU 39 3HD2 LEU 39 2.590 3.880 -8.288
275 H LEU 40 H LEU 40 0.542 1.190 -4.707
276 HA LEU 40 HA LEU 40 2.498 -0.905 -4.118
277 1HB LEU 40 1HB LEU 40 -0.377 -0.935 -3.208
278 2HB LEU 40 2HB LEU 40 0.693 -2.324 -3.153
279 HG LEU 40 HG LEU 40 1.295 0.260 -1.718
280 1HD1 LEU 40 1HD1 LEU 40 -0.246 -2.142 -0.824
281 2HD1 LEU 40 2HD1 LEU 40 0.666 -1.153 0.319
282 3HD1 LEU 40 3HD1 LEU 40 -0.636 -0.432 -0.629
283 1HD2 LEU 40 1HD2 LEU 40 2.824 -2.016 -2.279
284 2HD2 LEU 40 2HD2 LEU 40 3.208 -0.693 -1.174
285 3HD2 LEU 40 3HD2 LEU 40 2.371 -2.130 -0.576
286 H LYS 41 H LYS 41 2.695 -2.382 -5.646
287 HA LYS 41 HA LYS 41 1.072 -2.169 -8.028
288 1HB LYS 41 1HB LYS 41 3.532 -2.430 -8.137
289 2HB LYS 41 2HB LYS 41 3.379 -4.022 -7.408
290 1HG LYS 41 1HG LYS 41 3.685 -4.211 -9.797
291 2HG LYS 41 2HG LYS 41 2.076 -4.775 -9.343
292 1HD LYS 41 1HD LYS 41 1.119 -2.645 -10.046
293 2HD LYS 41 2HD LYS 41 2.727 -2.045 -10.457
294 1HE LYS 41 1HE LYS 41 1.522 -2.791 -12.446
295 2HE LYS 41 2HE LYS 41 2.950 -3.782 -12.154
296 1HZ LYS 41 1HZ LYS 41 0.634 -4.845 -10.871
297 2HZ LYS 41 2HZ LYS 41 0.400 -4.688 -12.538
298 3HZ LYS 41 3HZ LYS 41 1.703 -5.591 -11.949
299 H TRP 42 H TRP 42 -0.905 -2.905 -6.820
300 HA TRP 42 HA TRP 42 -1.205 -5.489 -5.804
301 1HB TRP 42 1HB TRP 42 -3.358 -3.912 -7.223
302 2HB TRP 42 2HB TRP 42 -3.581 -5.157 -5.998
303 HD1 TRP 42 HD1 TRP 42 -2.997 -1.468 -6.409
304 HE1 TRP 42 HE1 TRP 42 -2.892 -0.345 -4.094
305 HE3 TRP 42 HE3 TRP 42 -2.783 -5.653 -3.473
306 HZ2 TRP 42 HZ2 TRP 42 -2.727 -1.130 -1.388
307 HZ3 TRP 42 HZ3 TRP 42 -2.650 -5.375 -1.031
308 HH2 TRP 42 HH2 TRP 42 -2.620 -3.154 -0.011
309 H LYS 43 H LYS 43 -1.665 -7.443 -6.678
310 HA LYS 43 HA LYS 43 -0.872 -8.009 -9.295
311 1HB LYS 43 1HB LYS 43 -1.809 -10.259 -8.901
312 2HB LYS 43 2HB LYS 43 -0.833 -9.700 -7.549
313 1HG LYS 43 1HG LYS 43 -2.871 -9.097 -6.335
314 2HG LYS 43 2HG LYS 43 -3.841 -9.681 -7.689
315 1HD LYS 43 1HD LYS 43 -2.900 -11.924 -7.388
316 2HD LYS 43 2HD LYS 43 -1.940 -11.336 -6.028
317 1HE LYS 43 1HE LYS 43 -3.948 -12.481 -5.252
318 2HE LYS 43 2HE LYS 43 -3.987 -10.772 -4.822
319 1HZ LYS 43 1HZ LYS 43 -5.349 -10.468 -6.908
320 2HZ LYS 43 2HZ LYS 43 -5.511 -12.150 -6.951
321 3HZ LYS 43 3HZ LYS 43 -6.112 -11.276 -5.633
322 H GLY 44 H GLY 44 -1.933 -8.471 -11.173
323 1HA GLY 44 1HA GLY 44 -4.811 -8.356 -11.345
324 2HA GLY 44 2HA GLY 44 -3.687 -8.553 -12.685
325 H PHE 45 H PHE 45 -3.730 -5.993 -10.257
326 HA PHE 45 HA PHE 45 -4.898 -4.083 -12.041
327 1HB PHE 45 1HB PHE 45 -3.712 -3.858 -9.281
328 2HB PHE 45 2HB PHE 45 -4.308 -2.461 -10.167
329 HD1 PHE 45 HD1 PHE 45 -5.677 -5.918 -9.794
330 HD2 PHE 45 HD2 PHE 45 -6.239 -1.750 -9.141
331 HE1 PHE 45 HE1 PHE 45 -7.952 -6.357 -8.966
332 HE2 PHE 45 HE2 PHE 45 -8.513 -2.182 -8.312
333 HZ PHE 45 HZ PHE 45 -9.373 -4.488 -8.223
334 H SER 46 H SER 46 -3.912 -2.688 -13.360
335 HA SER 46 HA SER 46 -1.142 -2.975 -13.922
336 1HB SER 46 1HB SER 46 -3.119 -0.894 -14.882
337 2HB SER 46 2HB SER 46 -1.513 -1.160 -15.559
338 HG SER 46 HG SER 46 -2.565 -2.497 -16.805
339 H ASP 47 H ASP 47 -0.248 -0.426 -14.466
340 HA ASP 47 HA ASP 47 0.746 0.379 -11.941
341 1HB ASP 47 1HB ASP 47 2.026 0.648 -14.032
342 2HB ASP 47 2HB ASP 47 0.858 1.843 -14.587
343 H GLU 48 H GLU 48 -1.517 1.946 -14.204
344 HA GLU 48 HA GLU 48 -2.051 4.200 -12.631
345 1HB GLU 48 1HB GLU 48 -3.806 2.818 -14.667
346 2HB GLU 48 2HB GLU 48 -4.077 4.430 -14.029
347 1HG GLU 48 1HG GLU 48 -1.658 3.573 -15.598
348 2HG GLU 48 2HG GLU 48 -3.043 4.445 -16.252
349 H ASP 49 H ASP 49 -3.576 1.025 -12.775
350 HA ASP 49 HA ASP 49 -5.795 1.496 -11.177
351 1HB ASP 49 1HB ASP 49 -4.127 -0.990 -11.552
352 2HB ASP 49 2HB ASP 49 -5.647 -0.970 -10.668
353 H ASN 50 H ASN 50 -2.462 0.795 -10.274
354 HA ASN 50 HA ASN 50 -2.760 0.176 -7.603
355 1HB ASN 50 1HB ASN 50 -0.569 1.881 -8.803
356 2HB ASN 50 2HB ASN 50 -0.488 1.024 -7.267
357 1HD2 ASN 50 1HD2 ASN 50 0.779 0.914 -10.123
358 2HD2 ASN 50 2HD2 ASN 50 0.872 -0.785 -10.414
359 H THR 51 H THR 51 -3.157 1.261 -5.764
360 HA THR 51 HA THR 51 -3.455 4.184 -5.922
361 HB THR 51 HB THR 51 -5.696 3.273 -5.943
362 HG1 THR 51 HG1 THR 51 -5.890 3.947 -3.360
363 1HG2 THR 51 1HG2 THR 51 -4.584 1.466 -3.900
364 2HG2 THR 51 2HG2 THR 51 -6.218 2.050 -3.582
365 3HG2 THR 51 3HG2 THR 51 -5.865 1.192 -5.083
366 H TRP 52 H TRP 52 -2.476 5.287 -4.331
367 HA TRP 52 HA TRP 52 -0.745 3.959 -2.536
368 1HB TRP 52 1HB TRP 52 -1.666 6.834 -2.380
369 2HB TRP 52 2HB TRP 52 -0.199 6.148 -1.707
370 HD1 TRP 52 HD1 TRP 52 -1.689 6.285 -5.310
371 HE1 TRP 52 HE1 TRP 52 0.227 6.901 -6.914
372 HE3 TRP 52 HE3 TRP 52 2.100 6.672 -1.923
373 HZ2 TRP 52 HZ2 TRP 52 2.984 7.495 -6.756
374 HZ3 TRP 52 HZ3 TRP 52 4.337 7.271 -2.719
375 HH2 TRP 52 HH2 TRP 52 4.778 7.673 -5.088
376 H GLU 53 H GLU 53 -1.661 2.673 -1.049
377 HA GLU 53 HA GLU 53 -4.020 3.525 0.403
378 1HB GLU 53 1HB GLU 53 -3.822 1.201 -0.371
379 2HB GLU 53 2HB GLU 53 -2.385 0.993 0.617
380 1HG GLU 53 1HG GLU 53 -3.679 1.312 2.631
381 2HG GLU 53 2HG GLU 53 -5.122 1.632 1.678
382 HA PRO 54 HA PRO 54 -1.926 5.377 3.825
383 1HB PRO 54 1HB PRO 54 -3.712 4.526 5.797
384 2HB PRO 54 2HB PRO 54 -3.841 6.014 4.857
385 1HG PRO 54 1HG PRO 54 -5.201 3.393 4.457
386 2HG PRO 54 2HG PRO 54 -5.820 5.034 4.196
387 1HD PRO 54 1HD PRO 54 -5.080 3.476 2.146
388 2HD PRO 54 2HD PRO 54 -4.782 5.228 2.129
389 H GLU 55 H GLU 55 -0.288 4.707 5.035
390 HA GLU 55 HA GLU 55 0.595 2.100 5.136
391 1HB GLU 55 1HB GLU 55 2.058 3.999 5.535
392 2HB GLU 55 2HB GLU 55 1.213 4.383 7.028
393 1HG GLU 55 1HG GLU 55 1.966 2.256 7.984
394 2HG GLU 55 2HG GLU 55 2.829 1.899 6.489
395 H GLU 56 H GLU 56 -1.606 3.739 7.293
396 HA GLU 56 HA GLU 56 -1.477 2.084 9.525
397 1HB GLU 56 1HB GLU 56 -3.889 3.496 8.377
398 2HB GLU 56 2HB GLU 56 -3.773 2.849 10.008
399 1HG GLU 56 1HG GLU 56 -1.959 4.401 10.501
400 2HG GLU 56 2HG GLU 56 -2.060 5.043 8.862
401 H ASN 57 H ASN 57 -3.684 1.807 6.726
402 HA ASN 57 HA ASN 57 -4.841 -0.625 7.637
403 1HB ASN 57 1HB ASN 57 -4.850 0.637 4.890
404 2HB ASN 57 2HB ASN 57 -5.814 -0.762 5.350
405 1HD2 ASN 57 1HD2 ASN 57 -6.047 2.382 4.799
406 2HD2 ASN 57 2HD2 ASN 57 -7.311 2.817 5.893
407 H LEU 58 H LEU 58 -2.088 0.115 5.606
408 HA LEU 58 HA LEU 58 -1.737 -2.237 4.230
409 1HB LEU 58 1HB LEU 58 0.485 -0.666 5.533
410 2HB LEU 58 2HB LEU 58 0.636 -1.745 4.162
411 HG LEU 58 HG LEU 58 -0.645 0.973 4.255
412 1HD1 LEU 58 1HD1 LEU 58 1.892 0.112 3.595
413 2HD1 LEU 58 2HD1 LEU 58 1.088 0.296 2.035
414 3HD1 LEU 58 3HD1 LEU 58 1.162 1.657 3.157
415 1HD2 LEU 58 1HD2 LEU 58 -1.495 -1.269 2.691
416 2HD2 LEU 58 2HD2 LEU 58 -2.130 0.375 2.729
417 3HD2 LEU 58 3HD2 LEU 58 -0.802 -0.031 1.642
418 H ASP 59 H ASP 59 -0.909 -4.219 4.606
419 HA ASP 59 HA ASP 59 -0.178 -4.902 7.378
420 1HB ASP 59 1HB ASP 59 -1.786 -6.644 5.495
421 2HB ASP 59 2HB ASP 59 -1.400 -6.981 7.178
422 H CYS 60 H CYS 60 1.647 -4.230 5.380
423 HA CYS 60 HA CYS 60 3.073 -6.763 5.090
424 1HB CYS 60 1HB CYS 60 3.683 -6.114 2.729
425 2HB CYS 60 2HB CYS 60 2.007 -6.598 2.966
426 HG CYS 60 HG CYS 60 2.587 -3.296 3.221
427 HA PRO 61 HA PRO 61 5.591 -2.991 6.495
428 1HB PRO 61 1HB PRO 61 6.646 -4.298 8.677
429 2HB PRO 61 2HB PRO 61 5.221 -3.256 8.734
430 1HG PRO 61 1HG PRO 61 5.386 -6.238 8.581
431 2HG PRO 61 2HG PRO 61 4.290 -5.223 9.538
432 1HD PRO 61 1HD PRO 61 3.488 -6.407 7.266
433 2HD PRO 61 2HD PRO 61 2.907 -4.793 7.728
434 H ASP 62 H ASP 62 6.007 -6.218 5.546
435 HA ASP 62 HA ASP 62 8.796 -6.528 5.824
436 1HB ASP 62 1HB ASP 62 7.137 -8.346 5.363
437 2HB ASP 62 2HB ASP 62 7.039 -7.768 3.707
438 H LEU 63 H LEU 63 6.975 -5.958 2.799
439 HA LEU 63 HA LEU 63 9.309 -5.167 1.397
440 1HB LEU 63 1HB LEU 63 7.443 -4.230 -0.222
441 2HB LEU 63 2HB LEU 63 7.798 -5.941 -0.102
442 HG LEU 63 HG LEU 63 5.897 -6.145 1.519
443 1HD1 LEU 63 1HD1 LEU 63 6.020 -3.390 1.552
444 2HD1 LEU 63 2HD1 LEU 63 4.573 -3.743 0.607
445 3HD1 LEU 63 3HD1 LEU 63 4.746 -4.398 2.236
446 1HD2 LEU 63 1HD2 LEU 63 5.926 -6.087 -1.241
447 2HD2 LEU 63 2HD2 LEU 63 4.660 -6.764 -0.213
448 3HD2 LEU 63 3HD2 LEU 63 4.524 -5.108 -0.805
449 H ILE 64 H ILE 64 6.857 -3.466 3.209
450 HA ILE 64 HA ILE 64 7.398 -0.845 2.348
451 HB ILE 64 HB ILE 64 6.548 -1.793 5.096
452 1HG1 ILE 64 1HG1 ILE 64 4.905 -0.745 2.777
453 2HG1 ILE 64 2HG1 ILE 64 5.006 -2.432 3.270
454 1HG2 ILE 64 1HG2 ILE 64 7.100 0.869 4.007
455 2HG2 ILE 64 2HG2 ILE 64 5.538 0.720 4.811
456 3HG2 ILE 64 3HG2 ILE 64 7.018 0.321 5.680
457 1HD1 ILE 64 1HD1 ILE 64 4.038 -0.276 5.117
458 2HD1 ILE 64 2HD1 ILE 64 2.967 -1.140 4.016
459 3HD1 ILE 64 3HD1 ILE 64 3.841 -2.022 5.268
460 H ALA 65 H ALA 65 8.827 -2.924 4.796
461 HA ALA 65 HA ALA 65 10.701 -1.049 5.804
462 1HB ALA 65 1HB ALA 65 11.856 -3.495 6.240
463 2HB ALA 65 2HB ALA 65 10.683 -2.721 7.305
464 3HB ALA 65 3HB ALA 65 10.145 -3.908 6.115
465 H GLU 66 H GLU 66 10.749 -3.475 3.256
466 HA GLU 66 HA GLU 66 13.449 -3.402 2.569
467 1HB GLU 66 1HB GLU 66 10.989 -3.879 0.870
468 2HB GLU 66 2HB GLU 66 12.632 -4.119 0.286
469 1HG GLU 66 1HG GLU 66 11.348 -5.567 2.593
470 2HG GLU 66 2HG GLU 66 11.601 -6.212 0.971
471 H PHE 67 H PHE 67 10.836 -1.222 1.841
472 HA PHE 67 HA PHE 67 12.095 0.222 -0.246
473 1HB PHE 67 1HB PHE 67 9.662 0.177 0.126
474 2HB PHE 67 2HB PHE 67 9.878 1.056 1.633
475 HD1 PHE 67 HD1 PHE 67 9.335 3.251 1.561
476 HD2 PHE 67 HD2 PHE 67 10.924 1.445 -1.947
477 HE1 PHE 67 HE1 PHE 67 9.105 5.382 0.376
478 HE2 PHE 67 HE2 PHE 67 10.707 3.584 -3.146
479 HZ PHE 67 HZ PHE 67 9.794 5.557 -1.985
480 H LEU 68 H LEU 68 11.650 1.018 3.226
481 HA LEU 68 HA LEU 68 13.263 3.374 3.039
482 1HB LEU 68 1HB LEU 68 12.129 1.869 5.392
483 2HB LEU 68 2HB LEU 68 12.963 3.407 5.516
484 HG LEU 68 HG LEU 68 11.230 4.490 4.203
485 1HD1 LEU 68 1HD1 LEU 68 9.941 1.778 4.092
486 2HD1 LEU 68 2HD1 LEU 68 9.186 3.289 3.580
487 3HD1 LEU 68 3HD1 LEU 68 10.613 2.682 2.733
488 1HD2 LEU 68 1HD2 LEU 68 10.990 3.563 6.776
489 2HD2 LEU 68 2HD2 LEU 68 9.968 4.784 6.014
490 3HD2 LEU 68 3HD2 LEU 68 9.466 3.093 6.027
491 H GLN 69 H GLN 69 13.678 0.191 4.547
492 HA GLN 69 HA GLN 69 16.093 0.479 5.778
493 1HB GLN 69 1HB GLN 69 14.815 -1.580 5.907
494 2HB GLN 69 2HB GLN 69 15.095 -1.897 4.200
495 1HG GLN 69 1HG GLN 69 17.448 -2.195 4.602
496 2HG GLN 69 2HG GLN 69 17.241 -1.767 6.298
497 1HE2 GLN 69 1HE2 GLN 69 14.548 -3.438 5.555
498 2HE2 GLN 69 2HE2 GLN 69 15.050 -5.032 5.986
499 H SER 70 H SER 70 15.510 -0.137 2.345
500 HA SER 70 HA SER 70 18.220 -0.386 1.589
501 1HB SER 70 1HB SER 70 15.823 0.512 -0.036
502 2HB SER 70 2HB SER 70 17.393 0.073 -0.709
503 HG SER 70 HG SER 70 16.088 -1.746 0.975
504 H GLN 71 H GLN 71 15.996 2.361 1.737
505 HA GLN 71 HA GLN 71 18.018 4.222 0.815
506 1HB GLN 71 1HB GLN 71 15.316 4.862 2.004
507 2HB GLN 71 2HB GLN 71 16.294 5.878 0.952
508 1HG GLN 71 1HG GLN 71 15.896 4.450 -0.915
509 2HG GLN 71 2HG GLN 71 15.116 3.244 0.107
510 1HE2 GLN 71 1HE2 GLN 71 14.464 5.413 -2.141
511 2HE2 GLN 71 2HE2 GLN 71 12.885 5.923 -1.666
512 H LYS 72 H LYS 72 18.689 2.786 3.205
513 HA LYS 72 HA LYS 72 18.262 4.403 5.509
514 1HB LYS 72 1HB LYS 72 18.888 1.915 5.380
515 2HB LYS 72 2HB LYS 72 20.536 2.467 5.122
516 1HG LYS 72 1HG LYS 72 20.175 1.905 7.451
517 2HG LYS 72 2HG LYS 72 20.481 3.633 7.274
518 1HD LYS 72 1HD LYS 72 18.072 4.067 7.406
519 2HD LYS 72 2HD LYS 72 17.772 2.338 7.589
520 1HE LYS 72 1HE LYS 72 19.067 2.337 9.665
521 2HE LYS 72 2HE LYS 72 19.366 4.065 9.481
522 1HZ LYS 72 1HZ LYS 72 16.586 3.454 9.333
523 2HZ LYS 72 2HZ LYS 72 17.256 2.907 10.787
524 3HZ LYS 72 3HZ LYS 72 17.396 4.536 10.353
525 H THR 73 H THR 73 21.361 4.053 6.044
526 HA THR 73 HA THR 73 22.039 6.753 5.652
527 HB THR 73 HB THR 73 23.186 5.467 7.352
528 HG1 THR 73 HG1 THR 73 24.998 6.189 5.270
529 1HG2 THR 73 1HG2 THR 73 23.797 3.675 5.075
530 2HG2 THR 73 2HG2 THR 73 25.061 3.876 6.287
531 3HG2 THR 73 3HG2 THR 73 23.467 3.291 6.764
532 H ALA 74 H ALA 74 22.672 3.836 3.800
533 HA ALA 74 HA ALA 74 24.210 5.232 1.782
534 1HB ALA 74 1HB ALA 74 23.147 2.455 1.466
535 2HB ALA 74 2HB ALA 74 24.656 3.149 0.870
536 3HB ALA 74 3HB ALA 74 24.474 2.773 2.584
537 H HIS 75 H HIS 75 21.608 6.274 2.167
538 HA HIS 75 HA HIS 75 19.642 5.306 0.484
539 1HB HIS 75 1HB HIS 75 18.800 7.674 0.424
540 2HB HIS 75 2HB HIS 75 19.108 7.045 2.037
541 HD1 HIS 75 HD1 HIS 75 21.073 9.060 -0.541
542 HD2 HIS 75 HD2 HIS 75 20.429 8.828 3.558
543 HE1 HIS 75 HE1 HIS 75 22.411 10.940 0.458
544 HE2 HIS 75 HE2 HIS 75 21.922 10.843 2.927
545 H GLU 76 H GLU 76 22.337 7.479 -0.251
546 HA GLU 76 HA GLU 76 21.565 7.621 -3.052
547 1HB GLU 76 1HB GLU 76 22.398 9.648 -1.966
548 2HB GLU 76 2HB GLU 76 23.907 8.837 -1.576
549 1HG GLU 76 1HG GLU 76 24.405 8.614 -3.957
550 2HG GLU 76 2HG GLU 76 22.892 9.429 -4.348
551 H THR 77 H THR 77 22.431 6.442 -4.646
552 HA THR 77 HA THR 77 23.578 4.778 -5.688
553 HB THR 77 HB THR 77 25.977 5.663 -4.080
554 HG1 THR 77 HG1 THR 77 25.094 7.548 -4.893
555 1HG2 THR 77 1HG2 THR 77 25.544 4.379 -6.764
556 2HG2 THR 77 2HG2 THR 77 27.030 5.259 -6.402
557 3HG2 THR 77 3HG2 THR 77 26.582 3.850 -5.439
558 H ASP 78 H ASP 78 26.108 3.846 -3.858
559 HA ASP 78 HA ASP 78 24.968 2.324 -1.784
560 1HB ASP 78 1HB ASP 78 25.189 0.063 -2.812
561 2HB ASP 78 2HB ASP 78 23.910 1.031 -3.536
562 H LYS 79 H LYS 79 27.225 3.969 -2.202
563 HA LYS 79 HA LYS 79 29.417 4.110 -1.636
564 1HB LYS 79 1HB LYS 79 28.781 2.709 0.271
565 2HB LYS 79 2HB LYS 79 29.029 1.262 -0.696
566 1HG LYS 79 1HG LYS 79 31.398 1.762 -0.879
567 2HG LYS 79 2HG LYS 79 31.168 3.257 0.027
568 1HD LYS 79 1HD LYS 79 30.619 0.480 1.074
569 2HD LYS 79 2HD LYS 79 32.062 1.434 1.425
570 1HE LYS 79 1HE LYS 79 30.651 3.161 2.455
571 2HE LYS 79 2HE LYS 79 29.223 2.182 2.125
572 1HZ LYS 79 1HZ LYS 79 30.382 0.403 3.485
573 2HZ LYS 79 2HZ LYS 79 31.432 1.621 4.008
574 3HZ LYS 79 3HZ LYS 79 29.777 1.736 4.334
575 H SER 80 H SER 80 31.248 4.026 -2.786
576 HA SER 80 HA SER 80 32.685 3.538 -4.477
577 1HB SER 80 1HB SER 80 33.126 1.548 -3.097
578 2HB SER 80 2HB SER 80 31.814 0.693 -3.907
579 HG SER 80 HG SER 80 33.439 0.087 -5.136
580 H1 ALA 1 H1 ALA 1 1.699 -22.247 6.222
581 H2 ALA 1 H2 ALA 1 2.239 -22.624 7.781
582 H3 ALA 1 H3 ALA 1 0.995 -21.498 7.565
583 HA ALA 1 HA ALA 1 2.481 -19.895 7.576
584 1HB ALA 1 1HB ALA 1 3.921 -21.514 8.805
585 2HB ALA 1 2HB ALA 1 4.819 -20.306 7.885
586 3HB ALA 1 3HB ALA 1 4.663 -21.951 7.266
587 H ARG 2 H ARG 2 1.241 -20.401 5.201
588 HA ARG 2 HA ARG 2 2.885 -20.711 2.959
589 1HB ARG 2 1HB ARG 2 0.446 -20.853 2.845
590 2HB ARG 2 2HB ARG 2 0.313 -19.147 3.243
591 1HG ARG 2 1HG ARG 2 -0.033 -19.491 0.877
592 2HG ARG 2 2HG ARG 2 1.451 -18.576 1.149
593 1HD ARG 2 1HD ARG 2 2.767 -20.612 0.847
594 2HD ARG 2 2HD ARG 2 1.288 -21.539 0.600
595 HE ARG 2 HE ARG 2 1.355 -20.880 -1.573
596 1HH1 ARG 2 1HH1 ARG 2 3.033 -18.485 0.328
597 2HH1 ARG 2 2HH1 ARG 2 3.457 -17.512 -1.041
598 1HH2 ARG 2 1HH2 ARG 2 1.910 -19.601 -3.377
599 2HH2 ARG 2 2HH2 ARG 2 2.819 -18.145 -3.144
600 H THR 3 H THR 3 1.851 -17.788 4.677
601 HA THR 3 HA THR 3 2.699 -15.681 4.772
602 HB THR 3 HB THR 3 5.174 -16.890 3.524
603 HG1 THR 3 HG1 THR 3 4.187 -16.774 6.155
604 1HG2 THR 3 1HG2 THR 3 4.533 -14.210 3.972
605 2HG2 THR 3 2HG2 THR 3 5.576 -14.662 5.321
606 3HG2 THR 3 3HG2 THR 3 6.135 -14.878 3.662
607 H GLN 5 H GLN 5 3.200 -11.552 0.311
608 HA GLN 5 HA GLN 5 2.637 -9.575 2.228
609 1HB GLN 5 1HB GLN 5 3.059 -9.208 -0.742
610 2HB GLN 5 2HB GLN 5 3.224 -7.965 0.492
611 1HG GLN 5 1HG GLN 5 4.919 -10.444 0.296
612 2HG GLN 5 2HG GLN 5 5.379 -8.850 -0.294
613 1HE2 GLN 5 1HE2 GLN 5 3.681 -8.092 2.323
614 2HE2 GLN 5 2HE2 GLN 5 4.915 -8.116 3.531
615 H THR 6 H THR 6 0.928 -8.311 2.602
616 HA THR 6 HA THR 6 -1.179 -7.935 0.660
617 HB THR 6 HB THR 6 -2.969 -8.663 2.286
618 HG1 THR 6 HG1 THR 6 -1.207 -10.436 3.491
619 1HG2 THR 6 1HG2 THR 6 -2.112 -9.994 0.278
620 2HG2 THR 6 2HG2 THR 6 -1.255 -10.987 1.458
621 3HG2 THR 6 3HG2 THR 6 -3.015 -10.877 1.512
622 H ALA 7 H ALA 7 -2.668 -6.262 1.278
623 HA ALA 7 HA ALA 7 -2.236 -4.862 3.772
624 1HB ALA 7 1HB ALA 7 -0.607 -3.563 2.930
625 2HB ALA 7 2HB ALA 7 -1.021 -3.946 1.256
626 3HB ALA 7 3HB ALA 7 -1.934 -2.714 2.133
627 H ARG 8 H ARG 8 -4.474 -6.158 2.638
628 HA ARG 8 HA ARG 8 -6.649 -5.875 2.019
629 1HB ARG 8 1HB ARG 8 -6.176 -3.626 3.958
630 2HB ARG 8 2HB ARG 8 -7.769 -3.956 3.292
631 1HG ARG 8 1HG ARG 8 -7.530 -6.304 4.163
632 2HG ARG 8 2HG ARG 8 -6.088 -5.752 5.020
633 1HD ARG 8 1HD ARG 8 -8.810 -4.491 5.309
634 2HD ARG 8 2HD ARG 8 -8.191 -5.745 6.382
635 HE ARG 8 HE ARG 8 -7.509 -2.968 6.402
636 1HH1 ARG 8 1HH1 ARG 8 -6.365 -6.171 7.159
637 2HH1 ARG 8 2HH1 ARG 8 -5.196 -5.620 8.313
638 1HH2 ARG 8 1HH2 ARG 8 -5.974 -2.235 7.922
639 2HH2 ARG 8 2HH2 ARG 8 -4.975 -3.385 8.747
640 H SER 10 H SER 10 -8.873 -1.182 2.212
641 HA SER 10 HA SER 10 -7.676 1.309 2.767
642 1HB SER 10 1HB SER 10 -9.441 2.828 1.936
643 2HB SER 10 2HB SER 10 -8.616 1.991 0.622
644 HG SER 10 HG SER 10 -10.552 1.425 0.048
645 H THR 11 H THR 11 -11.009 -0.006 2.657
646 HA THR 11 HA THR 11 -11.762 1.141 5.124
647 HB THR 11 HB THR 11 -12.982 -1.260 3.749
648 HG1 THR 11 HG1 THR 11 -13.171 1.503 3.347
649 1HG2 THR 11 1HG2 THR 11 -13.521 -0.082 6.272
650 2HG2 THR 11 2HG2 THR 11 -14.852 0.334 5.194
651 3HG2 THR 11 3HG2 THR 11 -14.419 -1.357 5.448
652 H GLY 12 H GLY 12 -11.527 -2.378 4.502
653 1HA GLY 12 1HA GLY 12 -9.718 -2.861 6.635
654 2HA GLY 12 2HA GLY 12 -10.692 -4.072 5.818
655 H GLY 13 H GLY 13 -11.191 -5.184 7.707
656 1HA GLY 13 1HA GLY 13 -13.547 -4.713 8.972
657 2HA GLY 13 2HA GLY 13 -12.391 -3.817 9.946
658 H LYS 14 H LYS 14 -14.076 -6.403 10.237
659 HA LYS 14 HA LYS 14 -12.322 -7.706 12.011
660 1HB LYS 14 1HB LYS 14 -14.939 -8.586 10.789
661 2HB LYS 14 2HB LYS 14 -14.078 -9.533 11.994
662 1HG LYS 14 1HG LYS 14 -15.792 -8.291 13.093
663 2HG LYS 14 2HG LYS 14 -14.235 -7.599 13.545
664 1HD LYS 14 1HD LYS 14 -14.554 -5.816 11.894
665 2HD LYS 14 2HD LYS 14 -16.114 -6.509 11.450
666 1HE LYS 14 1HE LYS 14 -16.929 -6.139 13.723
667 2HE LYS 14 2HE LYS 14 -15.366 -5.463 14.178
668 1HZ LYS 14 1HZ LYS 14 -15.841 -3.851 12.226
669 2HZ LYS 14 2HZ LYS 14 -17.454 -4.312 12.455
670 3HZ LYS 14 3HZ LYS 14 -16.591 -3.591 13.719
671 H ALA 15 H ALA 15 -10.878 -9.279 11.754
672 HA ALA 15 HA ALA 15 -10.070 -10.091 9.161
673 1HB ALA 15 1HB ALA 15 -9.125 -10.438 11.895
674 2HB ALA 15 2HB ALA 15 -8.217 -10.253 10.393
675 3HB ALA 15 3HB ALA 15 -8.822 -11.840 10.869
676 HA PRO 16 HA PRO 16 -11.847 -14.465 10.664
677 1HB PRO 16 1HB PRO 16 -14.165 -13.364 12.172
678 2HB PRO 16 2HB PRO 16 -13.200 -14.810 12.490
679 1HG PRO 16 1HG PRO 16 -12.887 -12.622 13.970
680 2HG PRO 16 2HG PRO 16 -11.490 -13.608 13.499
681 1HD PRO 16 1HD PRO 16 -12.419 -10.987 12.408
682 2HD PRO 16 2HD PRO 16 -10.766 -11.580 12.668
683 H GLY 17 H GLY 17 -13.014 -15.365 9.078
684 1HA GLY 17 1HA GLY 17 -15.582 -14.535 8.270
685 2HA GLY 17 2HA GLY 17 -14.531 -15.621 7.375
686 H GLY 18 H GLY 18 -16.294 -13.073 6.843
687 1HA GLY 18 1HA GLY 18 -16.275 -11.380 5.293
688 2HA GLY 18 2HA GLY 18 -14.937 -12.235 4.539
No H/Q in entry = 688
Start of MODEL 17
1 H1 HIS 8 H1 HIS 8 -16.405 -24.850 8.647
2 H2 HIS 8 H2 HIS 8 -15.753 -26.370 8.288
3 H3 HIS 8 H3 HIS 8 -17.343 -26.242 8.854
4 HA HIS 8 HA HIS 8 -16.601 -26.568 10.890
5 1HB HIS 8 1HB HIS 8 -14.164 -26.749 11.326
6 2HB HIS 8 2HB HIS 8 -14.665 -27.674 9.914
7 HD1 HIS 8 HD1 HIS 8 -14.423 -26.003 7.594
8 HD2 HIS 8 HD2 HIS 8 -11.859 -25.456 10.817
9 HE1 HIS 8 HE1 HIS 8 -12.427 -24.790 6.666
10 HE2 HIS 8 HE2 HIS 8 -10.845 -24.561 8.613
11 H MET 9 H MET 9 -16.700 -25.280 12.629
12 HA MET 9 HA MET 9 -16.800 -23.382 13.875
13 1HB MET 9 1HB MET 9 -14.212 -22.785 12.428
14 2HB MET 9 2HB MET 9 -14.774 -21.974 13.884
15 1HG MET 9 1HG MET 9 -14.670 -24.082 15.106
16 2HG MET 9 2HG MET 9 -14.116 -24.901 13.647
17 1HE MET 9 1HE MET 9 -12.577 -25.800 15.353
18 2HE MET 9 2HE MET 9 -10.913 -25.216 15.408
19 3HE MET 9 3HE MET 9 -12.065 -24.716 16.648
20 H VAL 10 H VAL 10 -18.352 -23.292 11.589
21 HA VAL 10 HA VAL 10 -17.993 -21.027 9.968
22 HB VAL 10 HB VAL 10 -20.613 -22.301 10.772
23 1HG1 VAL 10 1HG1 VAL 10 -20.493 -19.984 9.580
24 2HG1 VAL 10 2HG1 VAL 10 -20.100 -20.953 8.159
25 3HG1 VAL 10 3HG1 VAL 10 -21.622 -21.213 9.010
26 1HG2 VAL 10 1HG2 VAL 10 -18.868 -23.853 9.814
27 2HG2 VAL 10 2HG2 VAL 10 -20.390 -23.769 8.926
28 3HG2 VAL 10 3HG2 VAL 10 -18.971 -22.911 8.325
29 H GLU 11 H GLU 11 -18.510 -18.911 10.200
30 HA GLU 11 HA GLU 11 -19.886 -18.102 12.676
31 1HB GLU 11 1HB GLU 11 -17.505 -16.725 11.416
32 2HB GLU 11 2HB GLU 11 -18.375 -16.173 12.841
33 1HG GLU 11 1HG GLU 11 -16.821 -18.739 12.609
34 2HG GLU 11 2HG GLU 11 -16.290 -17.275 13.435
35 H GLU 12 H GLU 12 -19.623 -15.282 11.998
36 HA GLU 12 HA GLU 12 -21.877 -15.100 10.200
37 1HB GLU 12 1HB GLU 12 -21.791 -13.731 12.239
38 2HB GLU 12 2HB GLU 12 -20.340 -12.936 11.646
39 1HG GLU 12 1HG GLU 12 -21.596 -12.013 9.776
40 2HG GLU 12 2HG GLU 12 -23.052 -12.825 10.348
41 H VAL 13 H VAL 13 -21.830 -14.538 8.109
42 HA VAL 13 HA VAL 13 -19.380 -14.404 6.700
43 HB VAL 13 HB VAL 13 -20.753 -13.851 4.724
44 1HG1 VAL 13 1HG1 VAL 13 -20.465 -16.193 5.615
45 2HG1 VAL 13 2HG1 VAL 13 -22.071 -16.031 6.326
46 3HG1 VAL 13 3HG1 VAL 13 -21.867 -15.938 4.576
47 1HG2 VAL 13 1HG2 VAL 13 -22.923 -13.590 6.787
48 2HG2 VAL 13 2HG2 VAL 13 -22.443 -12.436 5.542
49 3HG2 VAL 13 3HG2 VAL 13 -23.277 -13.923 5.091
50 H LEU 14 H LEU 14 -18.186 -12.722 5.986
51 HA LEU 14 HA LEU 14 -18.482 -10.188 7.207
52 1HB LEU 14 1HB LEU 14 -16.372 -11.388 6.264
53 2HB LEU 14 2HB LEU 14 -16.833 -10.656 4.741
54 HG LEU 14 HG LEU 14 -15.115 -9.349 5.900
55 1HD1 LEU 14 1HD1 LEU 14 -17.389 -8.385 4.706
56 2HD1 LEU 14 2HD1 LEU 14 -17.314 -7.475 6.216
57 3HD1 LEU 14 3HD1 LEU 14 -15.948 -7.448 5.101
58 1HD2 LEU 14 1HD2 LEU 14 -16.852 -9.790 8.158
59 2HD2 LEU 14 2HD2 LEU 14 -15.182 -9.227 8.116
60 3HD2 LEU 14 3HD2 LEU 14 -16.506 -8.074 7.947
61 H GLU 15 H GLU 15 -19.651 -8.473 6.616
62 HA GLU 15 HA GLU 15 -21.111 -8.574 4.096
63 1HB GLU 15 1HB GLU 15 -22.298 -8.112 6.232
64 2HB GLU 15 2HB GLU 15 -21.386 -6.618 6.382
65 1HG GLU 15 1HG GLU 15 -22.381 -5.807 4.297
66 2HG GLU 15 2HG GLU 15 -23.307 -7.301 4.167
67 H GLU 16 H GLU 16 -18.676 -8.164 3.289
68 HA GLU 16 HA GLU 16 -18.730 -5.629 2.057
69 1HB GLU 16 1HB GLU 16 -17.987 -5.009 4.396
70 2HB GLU 16 2HB GLU 16 -16.510 -5.907 4.083
71 1HG GLU 16 1HG GLU 16 -15.984 -4.421 2.229
72 2HG GLU 16 2HG GLU 16 -17.480 -3.532 2.508
73 H GLU 17 H GLU 17 -15.506 -6.030 2.498
74 HA GLU 17 HA GLU 17 -14.931 -8.360 1.007
75 1HB GLU 17 1HB GLU 17 -16.025 -6.994 -0.773
76 2HB GLU 17 2HB GLU 17 -14.776 -5.776 -0.558
77 1HG GLU 17 1HG GLU 17 -14.245 -7.107 -2.471
78 2HG GLU 17 2HG GLU 17 -13.081 -7.458 -1.194
79 H GLU 18 H GLU 18 -13.747 -7.789 3.205
80 HA GLU 18 HA GLU 18 -11.479 -6.056 2.983
81 1HB GLU 18 1HB GLU 18 -12.112 -8.154 5.029
82 2HB GLU 18 2HB GLU 18 -10.854 -6.943 5.177
83 1HG GLU 18 1HG GLU 18 -12.552 -5.185 5.137
84 2HG GLU 18 2HG GLU 18 -13.812 -6.411 5.004
85 H GLU 19 H GLU 19 -11.286 -7.676 0.832
86 HA GLU 19 HA GLU 19 -9.796 -10.046 1.218
87 1HB GLU 19 1HB GLU 19 -11.039 -9.547 -0.849
88 2HB GLU 19 2HB GLU 19 -9.925 -8.230 -1.193
89 1HG GLU 19 1HG GLU 19 -8.091 -9.810 -1.400
90 2HG GLU 19 2HG GLU 19 -9.178 -11.141 -1.006
91 H GLU 20 H GLU 20 -7.670 -10.401 1.491
92 HA GLU 20 HA GLU 20 -5.926 -8.086 1.784
93 1HB GLU 20 1HB GLU 20 -5.530 -11.001 2.464
94 2HB GLU 20 2HB GLU 20 -4.300 -9.768 2.690
95 1HG GLU 20 1HG GLU 20 -5.724 -8.592 4.249
96 2HG GLU 20 2HG GLU 20 -7.011 -9.771 3.996
97 H TYR 21 H TYR 21 -5.549 -7.488 -0.363
98 HA TYR 21 HA TYR 21 -4.740 -9.260 -2.396
99 1HB TYR 21 1HB TYR 21 -4.231 -6.295 -2.072
100 2HB TYR 21 2HB TYR 21 -3.886 -7.204 -3.540
101 HD1 TYR 21 HD1 TYR 21 -5.440 -6.986 -5.217
102 HD2 TYR 21 HD2 TYR 21 -6.774 -6.785 -1.181
103 HE1 TYR 21 HE1 TYR 21 -7.739 -6.608 -6.000
104 HE2 TYR 21 HE2 TYR 21 -9.077 -6.409 -1.954
105 HH TYR 21 HH TYR 21 -10.355 -7.069 -4.325
106 H VAL 22 H VAL 22 -2.803 -10.112 -2.928
107 HA VAL 22 HA VAL 22 -0.771 -10.308 -1.041
108 HB VAL 22 HB VAL 22 -0.521 -10.758 -4.016
109 1HG1 VAL 22 1HG1 VAL 22 1.608 -10.592 -2.649
110 2HG1 VAL 22 2HG1 VAL 22 1.076 -12.059 -1.826
111 3HG1 VAL 22 3HG1 VAL 22 1.378 -12.082 -3.564
112 1HG2 VAL 22 1HG2 VAL 22 -1.416 -12.573 -1.784
113 2HG2 VAL 22 2HG2 VAL 22 -2.334 -12.077 -3.206
114 3HG2 VAL 22 3HG2 VAL 22 -0.944 -13.148 -3.383
115 H VAL 23 H VAL 23 -0.891 -8.301 -3.960
116 HA VAL 23 HA VAL 23 0.216 -6.393 -4.538
117 HB VAL 23 HB VAL 23 1.168 -6.261 -1.677
118 1HG1 VAL 23 1HG1 VAL 23 2.154 -4.764 -3.521
119 2HG1 VAL 23 2HG1 VAL 23 0.590 -3.949 -3.495
120 3HG1 VAL 23 3HG1 VAL 23 1.584 -3.997 -2.039
121 1HG2 VAL 23 1HG2 VAL 23 -1.416 -5.283 -2.882
122 2HG2 VAL 23 2HG2 VAL 23 -1.221 -6.519 -1.637
123 3HG2 VAL 23 3HG2 VAL 23 -0.823 -4.836 -1.282
124 H GLU 24 H GLU 24 2.103 -6.092 -5.581
125 HA GLU 24 HA GLU 24 4.158 -8.063 -5.340
126 1HB GLU 24 1HB GLU 24 3.483 -6.998 -7.491
127 2HB GLU 24 2HB GLU 24 4.212 -5.500 -6.929
128 1HG GLU 24 1HG GLU 24 5.790 -6.545 -8.339
129 2HG GLU 24 2HG GLU 24 6.360 -6.740 -6.682
130 H LYS 25 H LYS 25 4.183 -4.521 -4.902
131 HA LYS 25 HA LYS 25 5.679 -4.511 -2.536
132 1HB LYS 25 1HB LYS 25 7.479 -5.436 -3.946
133 2HB LYS 25 2HB LYS 25 7.344 -4.046 -5.015
134 1HG LYS 25 1HG LYS 25 7.997 -2.575 -3.158
135 2HG LYS 25 2HG LYS 25 8.183 -3.992 -2.123
136 1HD LYS 25 1HD LYS 25 10.345 -3.300 -2.974
137 2HD LYS 25 2HD LYS 25 9.898 -4.863 -3.662
138 1HE LYS 25 1HE LYS 25 9.169 -3.756 -5.713
139 2HE LYS 25 2HE LYS 25 9.591 -2.188 -5.026
140 1HZ LYS 25 1HZ LYS 25 11.872 -3.627 -4.752
141 2HZ LYS 25 2HZ LYS 25 11.279 -4.167 -6.241
142 3HZ LYS 25 3HZ LYS 25 11.557 -2.517 -5.990
143 H VAL 26 H VAL 26 5.674 -2.568 -1.654
144 HA VAL 26 HA VAL 26 4.153 -0.496 -2.738
145 HB VAL 26 HB VAL 26 4.212 0.005 -0.556
146 1HG1 VAL 26 1HG1 VAL 26 6.647 -1.707 -0.542
147 2HG1 VAL 26 2HG1 VAL 26 6.291 -0.704 0.864
148 3HG1 VAL 26 3HG1 VAL 26 5.120 -1.905 0.320
149 1HG2 VAL 26 1HG2 VAL 26 6.931 1.055 -1.270
150 2HG2 VAL 26 2HG2 VAL 26 5.399 1.930 -1.296
151 3HG2 VAL 26 3HG2 VAL 26 6.095 1.415 0.241
152 H LEU 27 H LEU 27 4.606 1.151 -4.088
153 HA LEU 27 HA LEU 27 7.245 1.228 -5.273
154 1HB LEU 27 1HB LEU 27 4.722 2.722 -5.962
155 2HB LEU 27 2HB LEU 27 6.224 2.859 -6.851
156 HG LEU 27 HG LEU 27 4.772 1.396 -8.059
157 1HD1 LEU 27 1HD1 LEU 27 7.004 -0.020 -6.637
158 2HD1 LEU 27 2HD1 LEU 27 6.073 -0.774 -7.931
159 3HD1 LEU 27 3HD1 LEU 27 7.003 0.691 -8.250
160 1HD2 LEU 27 1HD2 LEU 27 4.021 0.498 -5.434
161 2HD2 LEU 27 2HD2 LEU 27 3.203 0.264 -6.978
162 3HD2 LEU 27 3HD2 LEU 27 4.450 -0.870 -6.460
163 H ASP 28 H ASP 28 5.094 3.955 -4.349
164 HA ASP 28 HA ASP 28 7.522 5.254 -3.262
165 1HB ASP 28 1HB ASP 28 5.295 6.564 -4.826
166 2HB ASP 28 2HB ASP 28 6.651 7.410 -4.086
167 H ARG 29 H ARG 29 7.369 6.503 -1.451
168 HA ARG 29 HA ARG 29 4.921 6.176 0.129
169 1HB ARG 29 1HB ARG 29 7.009 5.441 1.181
170 2HB ARG 29 2HB ARG 29 7.705 7.038 0.949
171 1HG ARG 29 1HG ARG 29 6.022 7.984 2.454
172 2HG ARG 29 2HG ARG 29 5.344 6.372 2.698
173 1HD ARG 29 1HD ARG 29 7.485 5.621 3.623
174 2HD ARG 29 2HD ARG 29 8.152 7.235 3.387
175 HE ARG 29 HE ARG 29 5.844 7.474 4.939
176 1HH1 ARG 29 1HH1 ARG 29 9.038 6.099 5.164
177 2HH1 ARG 29 2HH1 ARG 29 9.139 6.288 6.883
178 1HH2 ARG 29 1HH2 ARG 29 5.968 7.726 7.203
179 2HH2 ARG 29 2HH2 ARG 29 7.395 7.213 8.042
180 H ARG 30 H ARG 30 3.876 7.950 1.095
181 HA ARG 30 HA ARG 30 4.828 10.630 0.532
182 1HB ARG 30 1HB ARG 30 3.636 9.902 -1.531
183 2HB ARG 30 2HB ARG 30 2.183 9.693 -0.569
184 1HG ARG 30 1HG ARG 30 2.196 12.076 -0.032
185 2HG ARG 30 2HG ARG 30 3.643 12.282 -1.024
186 1HD ARG 30 1HD ARG 30 2.426 11.528 -2.989
187 2HD ARG 30 2HD ARG 30 0.988 11.248 -2.009
188 HE ARG 30 HE ARG 30 0.503 13.447 -2.243
189 1HH1 ARG 30 1HH1 ARG 30 3.939 13.058 -2.675
190 2HH1 ARG 30 2HH1 ARG 30 4.216 14.733 -3.014
191 1HH2 ARG 30 1HH2 ARG 30 0.859 15.654 -2.693
192 2HH2 ARG 30 2HH2 ARG 30 2.466 16.208 -3.024
193 H VAL 31 H VAL 31 3.485 12.293 1.498
194 HA VAL 31 HA VAL 31 1.509 11.475 3.461
195 HB VAL 31 HB VAL 31 4.174 12.638 4.242
196 1HG1 VAL 31 1HG1 VAL 31 1.525 13.162 5.447
197 2HG1 VAL 31 2HG1 VAL 31 2.825 12.744 6.563
198 3HG1 VAL 31 3HG1 VAL 31 3.000 14.128 5.484
199 1HG2 VAL 31 1HG2 VAL 31 3.667 10.151 4.290
200 2HG2 VAL 31 2HG2 VAL 31 4.263 10.863 5.791
201 3HG2 VAL 31 3HG2 VAL 31 2.544 10.514 5.603
202 H VAL 32 H VAL 32 -0.040 12.966 3.668
203 HA VAL 32 HA VAL 32 0.378 15.554 2.363
204 HB VAL 32 HB VAL 32 -2.113 15.750 2.465
205 1HG1 VAL 32 1HG1 VAL 32 -0.514 14.225 0.758
206 2HG1 VAL 32 2HG1 VAL 32 -1.945 13.240 1.061
207 3HG1 VAL 32 3HG1 VAL 32 -2.119 14.874 0.422
208 1HG2 VAL 32 1HG2 VAL 32 -1.781 13.323 4.049
209 2HG2 VAL 32 2HG2 VAL 32 -3.138 14.448 3.969
210 3HG2 VAL 32 3HG2 VAL 32 -2.985 13.162 2.771
211 H LYS 33 H LYS 33 -2.234 16.089 4.153
212 HA LYS 33 HA LYS 33 -1.143 17.956 5.860
213 1HB LYS 33 1HB LYS 33 -3.297 17.824 7.084
214 2HB LYS 33 2HB LYS 33 -3.500 17.925 5.341
215 1HG LYS 33 1HG LYS 33 -3.833 15.470 5.277
216 2HG LYS 33 2HG LYS 33 -3.748 15.450 7.040
217 1HD LYS 33 1HD LYS 33 -5.683 16.928 7.162
218 2HD LYS 33 2HD LYS 33 -5.753 16.996 5.401
219 1HE LYS 33 1HE LYS 33 -6.087 14.512 7.079
220 2HE LYS 33 2HE LYS 33 -7.395 15.425 6.329
221 1HZ LYS 33 1HZ LYS 33 -5.859 14.970 4.217
222 2HZ LYS 33 2HZ LYS 33 -5.484 13.595 5.127
223 3HZ LYS 33 3HZ LYS 33 -7.091 13.917 4.703
224 H GLY 34 H GLY 34 -1.217 14.521 6.195
225 1HA GLY 34 1HA GLY 34 -1.048 14.350 9.022
226 2HA GLY 34 2HA GLY 34 0.564 14.421 8.323
227 H LYS 35 H LYS 35 -2.069 12.962 6.592
228 HA LYS 35 HA LYS 35 -1.858 10.327 7.498
229 1HB LYS 35 1HB LYS 35 -2.672 11.362 4.781
230 2HB LYS 35 2HB LYS 35 -2.948 9.729 5.366
231 1HG LYS 35 1HG LYS 35 -4.385 10.566 7.125
232 2HG LYS 35 2HG LYS 35 -4.065 12.226 6.616
233 1HD LYS 35 1HD LYS 35 -6.190 11.538 5.731
234 2HD LYS 35 2HD LYS 35 -5.034 11.683 4.405
235 1HE LYS 35 1HE LYS 35 -4.698 9.259 4.435
236 2HE LYS 35 2HE LYS 35 -5.850 9.113 5.761
237 1HZ LYS 35 1HZ LYS 35 -7.504 10.179 4.208
238 2HZ LYS 35 2HZ LYS 35 -6.387 9.922 2.964
239 3HZ LYS 35 3HZ LYS 35 -7.028 8.605 3.810
240 H VAL 36 H VAL 36 -0.997 8.477 6.341
241 HA VAL 36 HA VAL 36 1.495 9.126 4.893
242 HB VAL 36 HB VAL 36 1.184 6.655 6.574
243 1HG1 VAL 36 1HG1 VAL 36 3.528 8.192 5.484
244 2HG1 VAL 36 2HG1 VAL 36 3.676 6.868 6.639
245 3HG1 VAL 36 3HG1 VAL 36 2.995 6.571 5.040
246 1HG2 VAL 36 1HG2 VAL 36 1.108 9.226 7.637
247 2HG2 VAL 36 2HG2 VAL 36 1.449 7.726 8.501
248 3HG2 VAL 36 3HG2 VAL 36 2.776 8.694 7.855
249 H GLU 37 H GLU 37 0.526 8.828 2.852
250 HA GLU 37 HA GLU 37 -0.760 6.286 2.299
251 1HB GLU 37 1HB GLU 37 -1.214 7.208 0.083
252 2HB GLU 37 2HB GLU 37 -1.731 8.310 1.351
253 1HG GLU 37 1HG GLU 37 0.340 9.608 1.011
254 2HG GLU 37 2HG GLU 37 0.759 8.537 -0.323
255 H TYR 38 H TYR 38 0.127 4.600 1.336
256 HA TYR 38 HA TYR 38 2.846 4.866 0.246
257 1HB TYR 38 1HB TYR 38 1.541 2.626 1.770
258 2HB TYR 38 2HB TYR 38 2.904 2.312 0.703
259 HD1 TYR 38 HD1 TYR 38 5.109 2.759 1.385
260 HD2 TYR 38 HD2 TYR 38 1.854 4.187 3.721
261 HE1 TYR 38 HE1 TYR 38 6.672 3.334 3.194
262 HE2 TYR 38 HE2 TYR 38 3.406 4.769 5.535
263 HH TYR 38 HH TYR 38 5.686 5.190 5.947
264 H LEU 39 H LEU 39 3.173 4.308 -1.791
265 HA LEU 39 HA LEU 39 0.965 3.568 -3.454
266 1HB LEU 39 1HB LEU 39 2.759 5.108 -4.180
267 2HB LEU 39 2HB LEU 39 3.907 3.790 -4.089
268 HG LEU 39 HG LEU 39 2.969 2.702 -5.966
269 1HD1 LEU 39 1HD1 LEU 39 0.605 4.124 -5.142
270 2HD1 LEU 39 2HD1 LEU 39 0.876 4.249 -6.877
271 3HD1 LEU 39 3HD1 LEU 39 0.762 2.664 -6.116
272 1HD2 LEU 39 1HD2 LEU 39 3.398 5.614 -6.161
273 2HD2 LEU 39 2HD2 LEU 39 4.210 4.289 -6.998
274 3HD2 LEU 39 3HD2 LEU 39 2.624 4.837 -7.544
275 H LEU 40 H LEU 40 0.592 1.570 -4.451
276 HA LEU 40 HA LEU 40 2.426 -0.618 -3.756
277 1HB LEU 40 1HB LEU 40 -0.558 -0.682 -3.317
278 2HB LEU 40 2HB LEU 40 0.538 -2.027 -3.071
279 HG LEU 40 HG LEU 40 0.671 0.562 -1.524
280 1HD1 LEU 40 1HD1 LEU 40 -1.092 -1.705 -1.254
281 2HD1 LEU 40 2HD1 LEU 40 -0.076 -1.506 0.174
282 3HD1 LEU 40 3HD1 LEU 40 -1.084 -0.170 -0.382
283 1HD2 LEU 40 1HD2 LEU 40 2.763 -0.814 -1.761
284 2HD2 LEU 40 2HD2 LEU 40 2.210 -0.551 -0.107
285 3HD2 LEU 40 3HD2 LEU 40 1.922 -2.102 -0.897
286 H LYS 41 H LYS 41 2.694 -2.131 -5.282
287 HA LYS 41 HA LYS 41 1.318 -1.773 -7.824
288 1HB LYS 41 1HB LYS 41 3.776 -2.020 -7.791
289 2HB LYS 41 2HB LYS 41 3.600 -3.615 -7.072
290 1HG LYS 41 1HG LYS 41 4.054 -3.798 -9.438
291 2HG LYS 41 2HG LYS 41 2.430 -4.387 -9.079
292 1HD LYS 41 1HD LYS 41 1.497 -2.242 -9.817
293 2HD LYS 41 2HD LYS 41 3.125 -1.667 -10.189
294 1HE LYS 41 1HE LYS 41 2.000 -2.430 -12.207
295 2HE LYS 41 2HE LYS 41 3.379 -3.466 -11.831
296 1HZ LYS 41 1HZ LYS 41 1.790 -5.029 -10.789
297 2HZ LYS 41 2HZ LYS 41 0.513 -4.067 -11.341
298 3HZ LYS 41 3HZ LYS 41 1.540 -4.830 -12.450
299 H TRP 42 H TRP 42 -0.721 -2.528 -6.800
300 HA TRP 42 HA TRP 42 -1.162 -5.032 -5.739
301 1HB TRP 42 1HB TRP 42 -3.103 -3.601 -7.558
302 2HB TRP 42 2HB TRP 42 -3.484 -4.727 -6.258
303 HD1 TRP 42 HD1 TRP 42 -2.323 -1.117 -6.841
304 HE1 TRP 42 HE1 TRP 42 -2.714 0.231 -4.685
305 HE3 TRP 42 HE3 TRP 42 -3.735 -4.930 -3.742
306 HZ2 TRP 42 HZ2 TRP 42 -3.509 -0.256 -2.024
307 HZ3 TRP 42 HZ3 TRP 42 -4.293 -4.403 -1.404
308 HH2 TRP 42 HH2 TRP 42 -4.183 -2.113 -0.565
309 H LYS 43 H LYS 43 -1.220 -7.038 -6.472
310 HA LYS 43 HA LYS 43 -0.313 -7.671 -9.070
311 1HB LYS 43 1HB LYS 43 -0.891 -10.040 -8.382
312 2HB LYS 43 2HB LYS 43 0.243 -9.185 -7.347
313 1HG LYS 43 1HG LYS 43 -1.189 -10.294 -5.877
314 2HG LYS 43 2HG LYS 43 -1.763 -8.628 -5.880
315 1HD LYS 43 1HD LYS 43 -3.643 -10.148 -5.978
316 2HD LYS 43 2HD LYS 43 -3.514 -9.262 -7.497
317 1HE LYS 43 1HE LYS 43 -3.997 -11.625 -7.885
318 2HE LYS 43 2HE LYS 43 -2.420 -11.179 -8.534
319 1HZ LYS 43 1HZ LYS 43 -2.039 -12.027 -5.907
320 2HZ LYS 43 2HZ LYS 43 -3.037 -13.171 -6.651
321 3HZ LYS 43 3HZ LYS 43 -1.535 -12.793 -7.329
322 H GLY 44 H GLY 44 -1.358 -8.766 -10.764
323 1HA GLY 44 1HA GLY 44 -4.216 -9.120 -10.746
324 2HA GLY 44 2HA GLY 44 -3.135 -9.411 -12.101
325 H PHE 45 H PHE 45 -3.858 -6.492 -10.188
326 HA PHE 45 HA PHE 45 -5.328 -5.234 -12.261
327 1HB PHE 45 1HB PHE 45 -3.998 -4.093 -9.795
328 2HB PHE 45 2HB PHE 45 -5.034 -3.164 -10.872
329 HD1 PHE 45 HD1 PHE 45 -5.231 -6.512 -9.212
330 HD2 PHE 45 HD2 PHE 45 -7.114 -2.783 -10.020
331 HE1 PHE 45 HE1 PHE 45 -7.211 -7.244 -7.946
332 HE2 PHE 45 HE2 PHE 45 -9.095 -3.505 -8.754
333 HZ PHE 45 HZ PHE 45 -9.146 -5.739 -7.716
334 H SER 46 H SER 46 -4.734 -3.749 -13.779
335 HA SER 46 HA SER 46 -2.228 -3.882 -14.944
336 1HB SER 46 1HB SER 46 -4.223 -1.610 -15.113
337 2HB SER 46 2HB SER 46 -2.885 -1.878 -16.229
338 HG SER 46 HG SER 46 -5.099 -2.726 -16.769
339 H ASP 47 H ASP 47 -0.471 -2.430 -15.058
340 HA ASP 47 HA ASP 47 0.548 -1.522 -12.661
341 1HB ASP 47 1HB ASP 47 1.205 -0.433 -15.408
342 2HB ASP 47 2HB ASP 47 2.223 -0.321 -13.976
343 H GLU 48 H GLU 48 -1.345 0.227 -15.062
344 HA GLU 48 HA GLU 48 -1.056 2.808 -14.019
345 1HB GLU 48 1HB GLU 48 -3.100 3.326 -15.291
346 2HB GLU 48 2HB GLU 48 -1.937 2.416 -16.242
347 1HG GLU 48 1HG GLU 48 -3.216 0.373 -15.850
348 2HG GLU 48 2HG GLU 48 -4.384 1.289 -14.898
349 H ASP 49 H ASP 49 -3.096 0.146 -13.049
350 HA ASP 49 HA ASP 49 -4.926 1.675 -11.500
351 1HB ASP 49 1HB ASP 49 -4.264 -1.271 -11.466
352 2HB ASP 49 2HB ASP 49 -5.597 -0.537 -10.585
353 H ASN 50 H ASN 50 -2.352 2.488 -10.744
354 HA ASN 50 HA ASN 50 -1.465 1.201 -8.372
355 1HB ASN 50 1HB ASN 50 -0.956 3.921 -9.564
356 2HB ASN 50 2HB ASN 50 -0.289 3.460 -8.002
357 1HD2 ASN 50 1HD2 ASN 50 -0.305 0.618 -9.376
358 2HD2 ASN 50 2HD2 ASN 50 1.209 0.619 -10.204
359 H THR 51 H THR 51 -1.865 1.682 -6.217
360 HA THR 51 HA THR 51 -3.787 3.798 -5.623
361 HB THR 51 HB THR 51 -4.211 0.938 -4.728
362 HG1 THR 51 HG1 THR 51 -5.994 2.445 -6.322
363 1HG2 THR 51 1HG2 THR 51 -5.437 3.535 -3.956
364 2HG2 THR 51 2HG2 THR 51 -6.500 2.136 -4.105
365 3HG2 THR 51 3HG2 THR 51 -5.138 2.094 -2.985
366 H TRP 52 H TRP 52 -3.289 4.878 -3.861
367 HA TRP 52 HA TRP 52 -1.107 3.943 -2.178
368 1HB TRP 52 1HB TRP 52 -2.495 6.626 -2.291
369 2HB TRP 52 2HB TRP 52 -1.022 6.252 -1.410
370 HD1 TRP 52 HD1 TRP 52 -2.095 5.804 -5.133
371 HE1 TRP 52 HE1 TRP 52 -0.148 6.622 -6.606
372 HE3 TRP 52 HE3 TRP 52 1.164 7.187 -1.464
373 HZ2 TRP 52 HZ2 TRP 52 2.427 7.723 -6.252
374 HZ3 TRP 52 HZ3 TRP 52 3.337 8.111 -2.105
375 HH2 TRP 52 HH2 TRP 52 3.966 8.373 -4.450
376 H GLU 53 H GLU 53 -1.295 3.518 -0.012
377 HA GLU 53 HA GLU 53 -4.000 3.691 1.153
378 1HB GLU 53 1HB GLU 53 -1.876 1.611 1.697
379 2HB GLU 53 2HB GLU 53 -3.462 1.679 2.451
380 1HG GLU 53 1HG GLU 53 -2.934 1.272 -0.484
381 2HG GLU 53 2HG GLU 53 -3.356 0.010 0.673
382 HA PRO 54 HA PRO 54 -2.262 6.280 4.289
383 1HB PRO 54 1HB PRO 54 -3.981 5.797 6.340
384 2HB PRO 54 2HB PRO 54 -4.393 6.782 4.933
385 1HG PRO 54 1HG PRO 54 -5.022 3.901 5.473
386 2HG PRO 54 2HG PRO 54 -6.084 5.176 4.848
387 1HD PRO 54 1HD PRO 54 -4.941 3.374 3.218
388 2HD PRO 54 2HD PRO 54 -5.178 5.061 2.717
389 H GLU 55 H GLU 55 -1.260 3.395 4.140
390 HA GLU 55 HA GLU 55 0.257 2.136 5.247
391 1HB GLU 55 1HB GLU 55 1.340 4.180 5.890
392 2HB GLU 55 2HB GLU 55 0.189 4.449 7.192
393 1HG GLU 55 1HG GLU 55 1.035 2.430 8.319
394 2HG GLU 55 2HG GLU 55 2.221 2.231 7.031
395 H GLU 56 H GLU 56 -2.297 3.384 7.405
396 HA GLU 56 HA GLU 56 -2.115 1.442 9.387
397 1HB GLU 56 1HB GLU 56 -4.462 2.003 9.914
398 2HB GLU 56 2HB GLU 56 -3.460 3.429 9.689
399 1HG GLU 56 1HG GLU 56 -4.352 3.708 7.436
400 2HG GLU 56 2HG GLU 56 -5.349 2.271 7.652
401 H ASN 57 H ASN 57 -4.002 1.417 6.386
402 HA ASN 57 HA ASN 57 -5.294 -1.051 6.845
403 1HB ASN 57 1HB ASN 57 -4.672 0.390 4.261
404 2HB ASN 57 2HB ASN 57 -5.740 -1.005 4.393
405 1HD2 ASN 57 1HD2 ASN 57 -5.691 2.232 4.165
406 2HD2 ASN 57 2HD2 ASN 57 -7.191 2.618 4.930
407 H LEU 58 H LEU 58 -2.144 -0.234 5.660
408 HA LEU 58 HA LEU 58 -1.454 -2.471 4.186
409 1HB LEU 58 1HB LEU 58 0.235 -0.798 6.046
410 2HB LEU 58 2HB LEU 58 0.892 -2.020 4.977
411 HG LEU 58 HG LEU 58 1.015 0.434 4.240
412 1HD1 LEU 58 1HD1 LEU 58 1.235 -1.768 2.864
413 2HD1 LEU 58 2HD1 LEU 58 -0.296 -1.244 2.163
414 3HD1 LEU 58 3HD1 LEU 58 1.126 -0.207 2.052
415 1HD2 LEU 58 1HD2 LEU 58 -1.453 0.801 4.778
416 2HD2 LEU 58 2HD2 LEU 58 -0.843 1.446 3.254
417 3HD2 LEU 58 3HD2 LEU 58 -1.779 -0.048 3.267
418 H ASP 59 H ASP 59 -1.813 -4.510 4.785
419 HA ASP 59 HA ASP 59 -1.508 -5.341 7.550
420 1HB ASP 59 1HB ASP 59 -3.386 -6.206 6.166
421 2HB ASP 59 2HB ASP 59 -2.218 -6.986 5.103
422 H CYS 60 H CYS 60 0.252 -5.289 4.622
423 HA CYS 60 HA CYS 60 2.187 -7.286 5.481
424 1HB CYS 60 1HB CYS 60 3.215 -6.796 3.238
425 2HB CYS 60 2HB CYS 60 1.567 -7.412 3.172
426 HG CYS 60 HG CYS 60 1.497 -4.126 3.279
427 HA PRO 61 HA PRO 61 4.452 -3.703 7.072
428 1HB PRO 61 1HB PRO 61 5.903 -5.022 8.910
429 2HB PRO 61 2HB PRO 61 4.200 -4.630 9.178
430 1HG PRO 61 1HG PRO 61 5.440 -7.218 8.335
431 2HG PRO 61 2HG PRO 61 4.118 -6.930 9.480
432 1HD PRO 61 1HD PRO 61 3.760 -7.720 6.869
433 2HD PRO 61 2HD PRO 61 2.547 -6.844 7.823
434 H ASP 62 H ASP 62 5.736 -6.837 6.124
435 HA ASP 62 HA ASP 62 8.436 -6.274 5.943
436 1HB ASP 62 1HB ASP 62 6.787 -8.078 4.164
437 2HB ASP 62 2HB ASP 62 8.542 -8.114 4.299
438 H LEU 63 H LEU 63 5.905 -5.712 3.505
439 HA LEU 63 HA LEU 63 7.587 -4.936 1.409
440 1HB LEU 63 1HB LEU 63 4.798 -3.968 2.021
441 2HB LEU 63 2HB LEU 63 5.633 -3.734 0.501
442 HG LEU 63 HG LEU 63 4.642 -6.325 1.668
443 1HD1 LEU 63 1HD1 LEU 63 3.021 -4.884 0.511
444 2HD1 LEU 63 2HD1 LEU 63 4.052 -4.906 -0.920
445 3HD1 LEU 63 3HD1 LEU 63 3.307 -6.399 -0.347
446 1HD2 LEU 63 1HD2 LEU 63 6.948 -6.465 0.584
447 2HD2 LEU 63 2HD2 LEU 63 5.692 -7.528 -0.052
448 3HD2 LEU 63 3HD2 LEU 63 6.132 -6.060 -0.925
449 H ILE 64 H ILE 64 5.916 -2.902 3.807
450 HA ILE 64 HA ILE 64 6.782 -0.423 2.956
451 HB ILE 64 HB ILE 64 6.390 -1.324 5.813
452 1HG1 ILE 64 1HG1 ILE 64 4.468 0.021 3.901
453 2HG1 ILE 64 2HG1 ILE 64 4.440 -1.690 4.315
454 1HG2 ILE 64 1HG2 ILE 64 7.598 0.955 5.117
455 2HG2 ILE 64 2HG2 ILE 64 5.919 1.478 4.988
456 3HG2 ILE 64 3HG2 ILE 64 6.527 0.829 6.512
457 1HD1 ILE 64 1HD1 ILE 64 4.302 -0.660 6.771
458 2HD1 ILE 64 2HD1 ILE 64 3.554 0.657 5.867
459 3HD1 ILE 64 3HD1 ILE 64 2.880 -0.970 5.775
460 H ALA 65 H ALA 65 8.389 -2.658 5.197
461 HA ALA 65 HA ALA 65 10.637 -1.023 5.697
462 1HB ALA 65 1HB ALA 65 11.537 -3.608 6.021
463 2HB ALA 65 2HB ALA 65 9.800 -3.744 6.299
464 3HB ALA 65 3HB ALA 65 10.761 -2.618 7.257
465 H GLU 66 H GLU 66 9.974 -3.539 3.316
466 HA GLU 66 HA GLU 66 12.487 -3.851 2.192
467 1HB GLU 66 1HB GLU 66 10.578 -5.285 1.643
468 2HB GLU 66 2HB GLU 66 9.789 -3.946 0.821
469 1HG GLU 66 1HG GLU 66 10.808 -5.485 -0.759
470 2HG GLU 66 2HG GLU 66 11.564 -3.894 -0.838
471 H PHE 67 H PHE 67 9.947 -1.536 1.328
472 HA PHE 67 HA PHE 67 11.343 -0.321 -0.796
473 1HB PHE 67 1HB PHE 67 9.036 0.039 -0.800
474 2HB PHE 67 2HB PHE 67 8.997 0.469 0.906
475 HD1 PHE 67 HD1 PHE 67 8.615 2.650 1.396
476 HD2 PHE 67 HD2 PHE 67 10.606 1.698 -2.241
477 HE1 PHE 67 HE1 PHE 67 8.685 5.035 0.820
478 HE2 PHE 67 HE2 PHE 67 10.681 4.088 -2.830
479 HZ PHE 67 HZ PHE 67 9.721 5.761 -1.298
480 H LEU 68 H LEU 68 11.024 0.560 2.628
481 HA LEU 68 HA LEU 68 12.450 2.966 2.489
482 1HB LEU 68 1HB LEU 68 12.158 1.097 4.834
483 2HB LEU 68 2HB LEU 68 12.629 2.785 4.917
484 HG LEU 68 HG LEU 68 9.949 1.748 3.987
485 1HD1 LEU 68 1HD1 LEU 68 10.893 2.975 6.551
486 2HD1 LEU 68 2HD1 LEU 68 9.202 3.025 6.054
487 3HD1 LEU 68 3HD1 LEU 68 10.003 1.473 6.303
488 1HD2 LEU 68 1HD2 LEU 68 11.264 4.334 3.719
489 2HD2 LEU 68 2HD2 LEU 68 9.835 3.696 2.908
490 3HD2 LEU 68 3HD2 LEU 68 9.688 4.425 4.506
491 H GLN 69 H GLN 69 13.580 -0.331 2.642
492 HA GLN 69 HA GLN 69 16.087 -0.088 3.735
493 1HB GLN 69 1HB GLN 69 15.261 -1.740 1.344
494 2HB GLN 69 2HB GLN 69 16.783 -1.936 2.202
495 1HG GLN 69 1HG GLN 69 14.032 -2.328 3.354
496 2HG GLN 69 2HG GLN 69 15.169 -3.598 2.906
497 1HE2 GLN 69 1HE2 GLN 69 13.948 -1.948 5.436
498 2HE2 GLN 69 2HE2 GLN 69 15.251 -2.104 6.559
499 H SER 70 H SER 70 15.137 0.683 0.407
500 HA SER 70 HA SER 70 17.669 1.245 -0.611
501 1HB SER 70 1HB SER 70 16.451 2.697 -2.260
502 2HB SER 70 2HB SER 70 15.792 1.070 -2.106
503 HG SER 70 HG SER 70 14.420 3.205 -1.947
504 H GLN 71 H GLN 71 15.386 3.369 1.083
505 HA GLN 71 HA GLN 71 16.977 5.709 0.868
506 1HB GLN 71 1HB GLN 71 14.695 4.909 2.654
507 2HB GLN 71 2HB GLN 71 15.530 6.437 2.880
508 1HG GLN 71 1HG GLN 71 13.466 6.646 1.563
509 2HG GLN 71 2HG GLN 71 14.898 7.172 0.684
510 1HE2 GLN 71 1HE2 GLN 71 12.148 5.271 0.602
511 2HE2 GLN 71 2HE2 GLN 71 12.512 4.345 -0.809
512 H LYS 72 H LYS 72 16.346 3.595 3.651
513 HA LYS 72 HA LYS 72 17.493 3.216 5.577
514 1HB LYS 72 1HB LYS 72 18.912 2.139 3.758
515 2HB LYS 72 2HB LYS 72 19.961 3.546 3.873
516 1HG LYS 72 1HG LYS 72 20.861 1.714 5.167
517 2HG LYS 72 2HG LYS 72 20.378 3.033 6.235
518 1HD LYS 72 1HD LYS 72 18.298 1.858 6.752
519 2HD LYS 72 2HD LYS 72 18.765 0.543 5.673
520 1HE LYS 72 1HE LYS 72 19.212 -0.021 8.006
521 2HE LYS 72 2HE LYS 72 20.705 0.072 7.074
522 1HZ LYS 72 1HZ LYS 72 20.618 2.540 7.963
523 2HZ LYS 72 2HZ LYS 72 19.735 1.812 9.209
524 3HZ LYS 72 3HZ LYS 72 21.307 1.289 8.871
525 H THR 73 H THR 73 20.427 4.452 5.638
526 HA THR 73 HA THR 73 19.699 6.672 7.266
527 HB THR 73 HB THR 73 22.421 5.896 6.194
528 HG1 THR 73 HG1 THR 73 20.895 4.655 7.930
529 1HG2 THR 73 1HG2 THR 73 21.487 8.070 7.949
530 2HG2 THR 73 2HG2 THR 73 22.873 7.160 8.550
531 3HG2 THR 73 3HG2 THR 73 22.953 7.949 6.975
532 H ALA 74 H ALA 74 21.375 6.408 4.137
533 HA ALA 74 HA ALA 74 21.286 9.262 3.715
534 1HB ALA 74 1HB ALA 74 22.202 6.994 1.956
535 2HB ALA 74 2HB ALA 74 23.210 8.088 2.902
536 3HB ALA 74 3HB ALA 74 22.308 8.697 1.514
537 H HIS 75 H HIS 75 18.726 8.569 4.089
538 HA HIS 75 HA HIS 75 17.232 7.692 1.917
539 1HB HIS 75 1HB HIS 75 15.328 8.835 2.949
540 2HB HIS 75 2HB HIS 75 16.290 8.005 4.167
541 HD1 HIS 75 HD1 HIS 75 18.273 9.849 5.153
542 HD2 HIS 75 HD2 HIS 75 14.579 11.249 3.864
543 HE1 HIS 75 HE1 HIS 75 17.984 12.093 6.250
544 HE2 HIS 75 HE2 HIS 75 15.773 12.953 5.401
545 H GLU 76 H GLU 76 16.623 8.557 0.030
546 HA GLU 76 HA GLU 76 17.858 10.922 -0.917
547 1HB GLU 76 1HB GLU 76 17.265 9.021 -2.376
548 2HB GLU 76 2HB GLU 76 15.560 9.367 -2.116
549 1HG GLU 76 1HG GLU 76 16.247 10.230 -4.248
550 2HG GLU 76 2HG GLU 76 15.865 11.567 -3.165
551 H THR 77 H THR 77 17.172 12.975 -1.007
552 HA THR 77 HA THR 77 14.489 13.813 -1.033
553 HB THR 77 HB THR 77 14.418 13.075 1.285
554 HG1 THR 77 HG1 THR 77 14.585 15.789 1.753
555 1HG2 THR 77 1HG2 THR 77 17.032 13.646 1.457
556 2HG2 THR 77 2HG2 THR 77 16.372 15.103 2.203
557 3HG2 THR 77 3HG2 THR 77 15.985 13.517 2.870
558 H ASP 78 H ASP 78 16.806 14.420 -2.462
559 HA ASP 78 HA ASP 78 18.004 16.158 -3.305
560 1HB ASP 78 1HB ASP 78 15.866 17.784 -1.910
561 2HB ASP 78 2HB ASP 78 16.982 18.405 -3.121
562 H LYS 79 H LYS 79 19.068 15.087 -1.023
563 HA LYS 79 HA LYS 79 20.791 17.155 -0.147
564 1HB LYS 79 1HB LYS 79 18.868 17.778 1.229
565 2HB LYS 79 2HB LYS 79 18.780 16.144 1.872
566 1HG LYS 79 1HG LYS 79 20.958 16.428 2.925
567 2HG LYS 79 2HG LYS 79 21.073 18.059 2.259
568 1HD LYS 79 1HD LYS 79 20.358 18.148 4.578
569 2HD LYS 79 2HD LYS 79 19.056 18.695 3.519
570 1HE LYS 79 1HE LYS 79 18.198 17.233 5.269
571 2HE LYS 79 2HE LYS 79 17.999 16.497 3.680
572 1HZ LYS 79 1HZ LYS 79 20.479 15.811 4.967
573 2HZ LYS 79 2HZ LYS 79 19.117 15.296 5.826
574 3HZ LYS 79 3HZ LYS 79 19.336 14.812 4.219
575 H SER 80 H SER 80 22.669 16.305 0.554
576 HA SER 80 HA SER 80 24.266 14.759 1.026
577 1HB SER 80 1HB SER 80 21.989 13.424 2.512
578 2HB SER 80 2HB SER 80 23.696 13.021 2.695
579 HG SER 80 HG SER 80 23.146 14.455 4.308
580 H1 ALA 1 H1 ALA 1 -5.627 -18.175 7.270
581 H2 ALA 1 H2 ALA 1 -6.583 -18.566 5.931
582 H3 ALA 1 H3 ALA 1 -5.120 -19.375 6.192
583 HA ALA 1 HA ALA 1 -3.856 -17.721 5.388
584 1HB ALA 1 1HB ALA 1 -5.736 -16.359 3.814
585 2HB ALA 1 2HB ALA 1 -4.732 -17.732 3.349
586 3HB ALA 1 3HB ALA 1 -6.349 -18.002 3.998
587 H ARG 2 H ARG 2 -3.023 -15.769 5.832
588 HA ARG 2 HA ARG 2 -4.508 -13.421 6.295
589 1HB ARG 2 1HB ARG 2 -5.106 -14.610 8.388
590 2HB ARG 2 2HB ARG 2 -3.399 -14.714 8.795
591 1HG ARG 2 1HG ARG 2 -3.265 -12.284 8.900
592 2HG ARG 2 2HG ARG 2 -4.971 -12.167 8.461
593 1HD ARG 2 1HD ARG 2 -5.555 -13.423 10.497
594 2HD ARG 2 2HD ARG 2 -3.850 -13.473 10.939
595 HE ARG 2 HE ARG 2 -4.110 -11.389 11.804
596 1HH1 ARG 2 1HH1 ARG 2 -6.525 -11.828 9.325
597 2HH1 ARG 2 2HH1 ARG 2 -7.238 -10.267 9.568
598 1HH2 ARG 2 1HH2 ARG 2 -5.045 -9.338 12.125
599 2HH2 ARG 2 2HH2 ARG 2 -6.398 -8.854 11.157
600 H THR 3 H THR 3 -1.545 -15.150 7.200
601 HA THR 3 HA THR 3 0.093 -12.830 7.309
602 HB THR 3 HB THR 3 1.990 -14.401 7.332
603 HG1 THR 3 HG1 THR 3 1.141 -15.963 5.879
604 1HG2 THR 3 1HG2 THR 3 0.024 -14.137 9.249
605 2HG2 THR 3 2HG2 THR 3 0.214 -15.886 9.104
606 3HG2 THR 3 3HG2 THR 3 1.608 -14.876 9.488
607 H GLN 5 H GLN 5 2.868 -11.719 4.818
608 HA GLN 5 HA GLN 5 2.828 -9.475 4.472
609 1HB GLN 5 1HB GLN 5 2.949 -10.275 1.558
610 2HB GLN 5 2HB GLN 5 3.341 -8.689 2.208
611 1HG GLN 5 1HG GLN 5 5.211 -9.622 3.432
612 2HG GLN 5 2HG GLN 5 4.799 -11.239 2.865
613 1HE2 GLN 5 1HE2 GLN 5 6.844 -8.758 2.401
614 2HE2 GLN 5 2HE2 GLN 5 7.256 -9.004 0.741
615 H THR 6 H THR 6 1.461 -9.194 1.434
616 HA THR 6 HA THR 6 -0.522 -8.485 0.615
617 HB THR 6 HB THR 6 -2.589 -9.399 1.402
618 HG1 THR 6 HG1 THR 6 -2.669 -9.314 3.551
619 1HG2 THR 6 1HG2 THR 6 -0.474 -10.940 0.612
620 2HG2 THR 6 2HG2 THR 6 -1.002 -11.750 2.088
621 3HG2 THR 6 3HG2 THR 6 -2.143 -11.494 0.769
622 H ALA 7 H ALA 7 -1.440 -6.559 0.642
623 HA ALA 7 HA ALA 7 -1.515 -5.084 3.179
624 1HB ALA 7 1HB ALA 7 -0.471 -4.315 0.784
625 2HB ALA 7 2HB ALA 7 -2.085 -3.603 0.703
626 3HB ALA 7 3HB ALA 7 -1.011 -3.203 2.045
627 H ARG 8 H ARG 8 -3.493 -3.321 1.361
628 HA ARG 8 HA ARG 8 -5.846 -4.796 1.063
629 1HB ARG 8 1HB ARG 8 -5.580 -4.971 3.567
630 2HB ARG 8 2HB ARG 8 -5.842 -3.235 3.646
631 1HG ARG 8 1HG ARG 8 -8.058 -3.469 2.763
632 2HG ARG 8 2HG ARG 8 -7.802 -5.190 2.463
633 1HD ARG 8 1HD ARG 8 -7.861 -3.820 5.152
634 2HD ARG 8 2HD ARG 8 -9.106 -4.875 4.483
635 HE ARG 8 HE ARG 8 -6.692 -6.285 4.533
636 1HH1 ARG 8 1HH1 ARG 8 -9.020 -4.935 6.749
637 2HH1 ARG 8 2HH1 ARG 8 -8.706 -6.102 7.990
638 1HH2 ARG 8 1HH2 ARG 8 -6.278 -7.827 6.164
639 2HH2 ARG 8 2HH2 ARG 8 -7.151 -7.744 7.658
640 H SER 10 H SER 10 -7.048 -1.000 1.997
641 HA SER 10 HA SER 10 -8.060 0.146 3.685
642 1HB SER 10 1HB SER 10 -7.392 2.054 2.309
643 2HB SER 10 2HB SER 10 -8.881 1.926 1.375
644 HG SER 10 HG SER 10 -9.389 3.408 2.854
645 H THR 11 H THR 11 -9.533 -2.036 2.816
646 HA THR 11 HA THR 11 -12.250 -1.402 2.284
647 HB THR 11 HB THR 11 -12.717 -3.754 2.821
648 HG1 THR 11 HG1 THR 11 -11.441 -4.520 4.344
649 1HG2 THR 11 1HG2 THR 11 -10.533 -2.942 0.996
650 2HG2 THR 11 2HG2 THR 11 -10.704 -4.670 1.300
651 3HG2 THR 11 3HG2 THR 11 -12.060 -3.753 0.646
652 H GLY 12 H GLY 12 -12.935 -3.487 4.564
653 1HA GLY 12 1HA GLY 12 -13.889 -3.356 6.645
654 2HA GLY 12 2HA GLY 12 -14.141 -1.651 6.301
655 H GLY 13 H GLY 13 -11.274 -3.693 6.889
656 1HA GLY 13 1HA GLY 13 -9.970 -1.610 8.364
657 2HA GLY 13 2HA GLY 13 -9.389 -3.251 8.143
658 H LYS 14 H LYS 14 -12.403 -2.090 9.631
659 HA LYS 14 HA LYS 14 -11.587 -2.412 12.297
660 1HB LYS 14 1HB LYS 14 -14.380 -2.577 11.150
661 2HB LYS 14 2HB LYS 14 -13.978 -2.326 12.843
662 1HG LYS 14 1HG LYS 14 -12.895 -0.205 12.264
663 2HG LYS 14 2HG LYS 14 -13.336 -0.453 10.574
664 1HD LYS 14 1HD LYS 14 -14.925 1.044 11.604
665 2HD LYS 14 2HD LYS 14 -15.719 -0.490 11.241
666 1HE LYS 14 1HE LYS 14 -16.353 0.327 13.451
667 2HE LYS 14 2HE LYS 14 -15.452 -1.185 13.566
668 1HZ LYS 14 1HZ LYS 14 -14.265 1.509 13.950
669 2HZ LYS 14 2HZ LYS 14 -14.755 0.491 15.208
670 3HZ LYS 14 3HZ LYS 14 -13.493 0.023 14.185
671 H ALA 15 H ALA 15 -11.491 -4.112 13.627
672 HA ALA 15 HA ALA 15 -11.520 -6.245 14.405
673 1HB ALA 15 1HB ALA 15 -14.033 -5.999 12.925
674 2HB ALA 15 2HB ALA 15 -13.465 -7.656 13.126
675 3HB ALA 15 3HB ALA 15 -13.721 -6.634 14.540
676 HA PRO 16 HA PRO 16 -8.922 -8.313 11.451
677 1HB PRO 16 1HB PRO 16 -8.396 -10.551 12.892
678 2HB PRO 16 2HB PRO 16 -7.659 -8.986 13.255
679 1HG PRO 16 1HG PRO 16 -10.013 -10.313 14.546
680 2HG PRO 16 2HG PRO 16 -8.652 -9.468 15.306
681 1HD PRO 16 1HD PRO 16 -11.060 -8.298 14.950
682 2HD PRO 16 2HD PRO 16 -9.541 -7.383 14.871
683 H GLY 17 H GLY 17 -9.006 -11.331 11.806
684 1HA GLY 17 1HA GLY 17 -9.960 -13.064 10.634
685 2HA GLY 17 2HA GLY 17 -10.873 -11.866 9.729
686 H GLY 18 H GLY 18 -11.427 -14.537 11.236
687 1HA GLY 18 1HA GLY 18 -13.255 -13.983 13.305
688 2HA GLY 18 2HA GLY 18 -13.190 -15.469 12.370
No H/Q in entry = 688
Start of MODEL 18
1 H1 HIS 8 H1 HIS 8 -20.988 11.318 7.403
2 H2 HIS 8 H2 HIS 8 -19.382 10.788 7.375
3 H3 HIS 8 H3 HIS 8 -20.158 11.060 8.853
4 HA HIS 8 HA HIS 8 -20.159 13.361 8.596
5 1HB HIS 8 1HB HIS 8 -17.565 12.215 7.532
6 2HB HIS 8 2HB HIS 8 -17.752 13.852 8.151
7 HD1 HIS 8 HD1 HIS 8 -15.720 12.538 9.663
8 HD2 HIS 8 HD2 HIS 8 -19.717 11.805 10.532
9 HE1 HIS 8 HE1 HIS 8 -15.746 11.661 12.019
10 HE2 HIS 8 HE2 HIS 8 -18.182 11.296 12.550
11 H MET 9 H MET 9 -21.687 12.738 6.427
12 HA MET 9 HA MET 9 -22.408 13.591 4.450
13 1HB MET 9 1HB MET 9 -21.831 15.767 5.371
14 2HB MET 9 2HB MET 9 -20.155 15.561 4.879
15 1HG MET 9 1HG MET 9 -21.352 17.048 3.375
16 2HG MET 9 2HG MET 9 -20.814 15.590 2.544
17 1HE MET 9 1HE MET 9 -22.790 17.516 1.295
18 2HE MET 9 2HE MET 9 -22.589 15.977 0.459
19 3HE MET 9 3HE MET 9 -24.208 16.590 0.802
20 H VAL 10 H VAL 10 -22.110 13.241 2.284
21 HA VAL 10 HA VAL 10 -21.154 12.534 0.341
22 HB VAL 10 HB VAL 10 -18.494 12.860 1.736
23 1HG1 VAL 10 1HG1 VAL 10 -19.247 11.843 -0.879
24 2HG1 VAL 10 2HG1 VAL 10 -18.130 13.204 -0.979
25 3HG1 VAL 10 3HG1 VAL 10 -17.696 11.775 -0.042
26 1HG2 VAL 10 1HG2 VAL 10 -20.043 14.738 -0.042
27 2HG2 VAL 10 2HG2 VAL 10 -19.635 14.976 1.658
28 3HG2 VAL 10 3HG2 VAL 10 -18.363 14.973 0.436
29 H GLU 11 H GLU 11 -20.081 11.100 3.352
30 HA GLU 11 HA GLU 11 -19.842 8.947 4.018
31 1HB GLU 11 1HB GLU 11 -21.135 8.294 1.364
32 2HB GLU 11 2HB GLU 11 -20.876 7.152 2.675
33 1HG GLU 11 1HG GLU 11 -22.340 8.484 4.116
34 2HG GLU 11 2HG GLU 11 -22.611 9.610 2.786
35 H GLU 12 H GLU 12 -18.184 7.543 4.047
36 HA GLU 12 HA GLU 12 -15.910 8.022 2.510
37 1HB GLU 12 1HB GLU 12 -16.623 5.522 4.052
38 2HB GLU 12 2HB GLU 12 -15.010 5.970 3.516
39 1HG GLU 12 1HG GLU 12 -15.079 7.950 4.939
40 2HG GLU 12 2HG GLU 12 -16.701 7.513 5.470
41 H VAL 13 H VAL 13 -15.080 7.187 0.679
42 HA VAL 13 HA VAL 13 -16.748 5.993 -1.229
43 HB VAL 13 HB VAL 13 -14.769 7.287 -1.854
44 1HG1 VAL 13 1HG1 VAL 13 -13.379 5.158 -0.327
45 2HG1 VAL 13 2HG1 VAL 13 -12.565 5.815 -1.747
46 3HG1 VAL 13 3HG1 VAL 13 -13.041 6.886 -0.429
47 1HG2 VAL 13 1HG2 VAL 13 -15.768 5.391 -3.287
48 2HG2 VAL 13 2HG2 VAL 13 -14.198 6.053 -3.743
49 3HG2 VAL 13 3HG2 VAL 13 -14.292 4.514 -2.884
50 H LEU 14 H LEU 14 -16.933 3.901 -2.001
51 HA LEU 14 HA LEU 14 -15.370 1.767 -0.858
52 1HB LEU 14 1HB LEU 14 -17.523 0.556 -0.139
53 2HB LEU 14 2HB LEU 14 -16.851 1.778 0.921
54 HG LEU 14 HG LEU 14 -18.519 3.404 0.023
55 1HD1 LEU 14 1HD1 LEU 14 -18.920 2.248 -2.129
56 2HD1 LEU 14 2HD1 LEU 14 -19.781 0.983 -1.251
57 3HD1 LEU 14 3HD1 LEU 14 -20.402 2.634 -1.255
58 1HD2 LEU 14 1HD2 LEU 14 -18.778 1.680 2.030
59 2HD2 LEU 14 2HD2 LEU 14 -20.061 2.800 1.573
60 3HD2 LEU 14 3HD2 LEU 14 -20.119 1.124 1.029
61 H GLU 15 H GLU 15 -15.707 2.723 -3.490
62 HA GLU 15 HA GLU 15 -17.534 1.041 -4.918
63 1HB GLU 15 1HB GLU 15 -16.817 3.224 -5.801
64 2HB GLU 15 2HB GLU 15 -15.165 2.633 -5.922
65 1HG GLU 15 1HG GLU 15 -16.234 2.604 -8.087
66 2HG GLU 15 2HG GLU 15 -15.887 0.959 -7.554
67 H GLU 16 H GLU 16 -13.999 1.080 -4.509
68 HA GLU 16 HA GLU 16 -13.634 -1.399 -5.900
69 1HB GLU 16 1HB GLU 16 -11.729 0.106 -4.099
70 2HB GLU 16 2HB GLU 16 -11.298 -1.215 -5.175
71 1HG GLU 16 1HG GLU 16 -12.425 1.429 -6.062
72 2HG GLU 16 2HG GLU 16 -10.716 1.001 -6.072
73 H GLU 17 H GLU 17 -13.482 -3.426 -5.107
74 HA GLU 17 HA GLU 17 -14.596 -4.061 -2.610
75 1HB GLU 17 1HB GLU 17 -12.861 -5.765 -4.406
76 2HB GLU 17 2HB GLU 17 -13.862 -6.365 -3.089
77 1HG GLU 17 1HG GLU 17 -15.860 -5.572 -4.241
78 2HG GLU 17 2HG GLU 17 -14.859 -4.962 -5.559
79 H GLU 18 H GLU 18 -13.749 -4.479 -0.641
80 HA GLU 18 HA GLU 18 -11.211 -3.464 0.030
81 1HB GLU 18 1HB GLU 18 -13.054 -5.223 1.605
82 2HB GLU 18 2HB GLU 18 -11.656 -4.405 2.271
83 1HG GLU 18 1HG GLU 18 -12.662 -2.248 1.719
84 2HG GLU 18 2HG GLU 18 -14.072 -3.079 1.060
85 H GLU 19 H GLU 19 -11.575 -6.368 1.675
86 HA GLU 19 HA GLU 19 -10.254 -8.151 1.946
87 1HB GLU 19 1HB GLU 19 -10.212 -9.687 0.186
88 2HB GLU 19 2HB GLU 19 -11.708 -8.768 0.047
89 1HG GLU 19 1HG GLU 19 -10.683 -7.386 -1.658
90 2HG GLU 19 2HG GLU 19 -9.209 -8.337 -1.541
91 H GLU 20 H GLU 20 -8.224 -8.929 2.106
92 HA GLU 20 HA GLU 20 -6.109 -7.104 1.590
93 1HB GLU 20 1HB GLU 20 -5.975 -9.997 2.455
94 2HB GLU 20 2HB GLU 20 -4.663 -8.833 2.554
95 1HG GLU 20 1HG GLU 20 -5.908 -7.519 4.157
96 2HG GLU 20 2HG GLU 20 -7.283 -8.613 4.018
97 H TYR 21 H TYR 21 -4.705 -6.977 -0.040
98 HA TYR 21 HA TYR 21 -4.871 -8.987 -2.174
99 1HB TYR 21 1HB TYR 21 -4.105 -6.086 -2.139
100 2HB TYR 21 2HB TYR 21 -3.536 -7.130 -3.437
101 HD1 TYR 21 HD1 TYR 21 -4.722 -6.592 -5.347
102 HD2 TYR 21 HD2 TYR 21 -6.828 -6.953 -1.667
103 HE1 TYR 21 HE1 TYR 21 -6.850 -6.287 -6.541
104 HE2 TYR 21 HE2 TYR 21 -8.959 -6.652 -2.852
105 HH TYR 21 HH TYR 21 -9.645 -5.471 -5.138
106 H VAL 22 H VAL 22 -3.034 -10.002 -2.963
107 HA VAL 22 HA VAL 22 -1.042 -10.662 -1.160
108 HB VAL 22 HB VAL 22 -0.793 -10.766 -4.166
109 1HG1 VAL 22 1HG1 VAL 22 0.894 -11.681 -1.968
110 2HG1 VAL 22 2HG1 VAL 22 0.508 -12.945 -3.136
111 3HG1 VAL 22 3HG1 VAL 22 1.277 -11.452 -3.674
112 1HG2 VAL 22 1HG2 VAL 22 -2.790 -11.917 -2.785
113 2HG2 VAL 22 2HG2 VAL 22 -2.077 -12.623 -4.236
114 3HG2 VAL 22 3HG2 VAL 22 -1.560 -13.173 -2.642
115 H VAL 23 H VAL 23 -0.908 -8.322 -3.808
116 HA VAL 23 HA VAL 23 0.434 -6.521 -4.193
117 HB VAL 23 HB VAL 23 1.401 -6.806 -1.351
118 1HG1 VAL 23 1HG1 VAL 23 1.833 -4.889 -3.467
119 2HG1 VAL 23 2HG1 VAL 23 1.137 -4.127 -2.038
120 3HG1 VAL 23 3HG1 VAL 23 2.638 -5.044 -1.905
121 1HG2 VAL 23 1HG2 VAL 23 -1.063 -6.827 -1.451
122 2HG2 VAL 23 2HG2 VAL 23 -0.423 -5.381 -0.663
123 3HG2 VAL 23 3HG2 VAL 23 -1.018 -5.291 -2.322
124 H GLU 24 H GLU 24 2.266 -6.471 -5.326
125 HA GLU 24 HA GLU 24 4.168 -8.615 -5.071
126 1HB GLU 24 1HB GLU 24 3.523 -7.770 -7.278
127 2HB GLU 24 2HB GLU 24 4.167 -6.186 -6.871
128 1HG GLU 24 1HG GLU 24 6.407 -7.142 -6.688
129 2HG GLU 24 2HG GLU 24 5.759 -8.729 -7.100
130 H LYS 25 H LYS 25 4.265 -5.083 -4.705
131 HA LYS 25 HA LYS 25 6.003 -5.081 -2.507
132 1HB LYS 25 1HB LYS 25 7.663 -5.894 -4.138
133 2HB LYS 25 2HB LYS 25 7.347 -4.489 -5.151
134 1HG LYS 25 1HG LYS 25 8.211 -3.019 -3.425
135 2HG LYS 25 2HG LYS 25 8.471 -4.399 -2.357
136 1HD LYS 25 1HD LYS 25 10.564 -3.769 -3.391
137 2HD LYS 25 2HD LYS 25 10.049 -5.337 -4.011
138 1HE LYS 25 1HE LYS 25 10.895 -3.928 -5.808
139 2HE LYS 25 2HE LYS 25 9.178 -4.259 -6.024
140 1HZ LYS 25 1HZ LYS 25 9.236 -1.953 -4.569
141 2HZ LYS 25 2HZ LYS 25 10.514 -1.757 -5.661
142 3HZ LYS 25 3HZ LYS 25 8.954 -2.071 -6.233
143 H VAL 26 H VAL 26 6.041 -3.054 -1.589
144 HA VAL 26 HA VAL 26 4.297 -1.094 -2.632
145 HB VAL 26 HB VAL 26 4.541 0.009 -0.680
146 1HG1 VAL 26 1HG1 VAL 26 5.669 -2.685 -0.245
147 2HG1 VAL 26 2HG1 VAL 26 5.771 -1.529 1.083
148 3HG1 VAL 26 3HG1 VAL 26 4.201 -1.948 0.395
149 1HG2 VAL 26 1HG2 VAL 26 6.674 0.994 -1.238
150 2HG2 VAL 26 2HG2 VAL 26 6.627 0.510 0.458
151 3HG2 VAL 26 3HG2 VAL 26 7.506 -0.473 -0.715
152 H LEU 27 H LEU 27 4.623 0.568 -3.987
153 HA LEU 27 HA LEU 27 7.160 0.734 -5.313
154 1HB LEU 27 1HB LEU 27 4.644 2.343 -5.691
155 2HB LEU 27 2HB LEU 27 6.057 2.439 -6.723
156 HG LEU 27 HG LEU 27 4.324 -0.007 -6.344
157 1HD1 LEU 27 1HD1 LEU 27 3.583 2.142 -7.718
158 2HD1 LEU 27 2HD1 LEU 27 4.605 1.391 -8.943
159 3HD1 LEU 27 3HD1 LEU 27 3.236 0.504 -8.272
160 1HD2 LEU 27 1HD2 LEU 27 6.860 -0.239 -6.855
161 2HD2 LEU 27 2HD2 LEU 27 5.695 -1.148 -7.816
162 3HD2 LEU 27 3HD2 LEU 27 6.409 0.329 -8.462
163 H ASP 28 H ASP 28 5.135 3.254 -3.718
164 HA ASP 28 HA ASP 28 7.680 4.472 -2.836
165 1HB ASP 28 1HB ASP 28 5.389 5.882 -4.193
166 2HB ASP 28 2HB ASP 28 6.641 6.732 -3.297
167 H ARG 29 H ARG 29 6.512 6.772 -1.713
168 HA ARG 29 HA ARG 29 4.518 6.103 0.235
169 1HB ARG 29 1HB ARG 29 6.284 4.989 1.377
170 2HB ARG 29 2HB ARG 29 7.434 6.263 0.997
171 1HG ARG 29 1HG ARG 29 5.942 7.774 2.432
172 2HG ARG 29 2HG ARG 29 5.224 6.271 3.020
173 1HD ARG 29 1HD ARG 29 7.007 7.029 4.502
174 2HD ARG 29 2HD ARG 29 7.426 5.495 3.738
175 HE ARG 29 HE ARG 29 8.477 7.538 2.162
176 1HH1 ARG 29 1HH1 ARG 29 8.898 6.234 5.369
177 2HH1 ARG 29 2HH1 ARG 29 10.571 6.668 5.463
178 1HH2 ARG 29 1HH2 ARG 29 10.677 8.112 2.280
179 2HH2 ARG 29 2HH2 ARG 29 11.582 7.737 3.709
180 H ARG 30 H ARG 30 3.463 7.989 0.701
181 HA ARG 30 HA ARG 30 4.948 10.440 1.018
182 1HB ARG 30 1HB ARG 30 3.945 11.711 -0.737
183 2HB ARG 30 2HB ARG 30 4.657 10.271 -1.450
184 1HG ARG 30 1HG ARG 30 2.409 9.232 -1.482
185 2HG ARG 30 2HG ARG 30 1.739 10.754 -0.890
186 1HD ARG 30 1HD ARG 30 2.670 11.892 -2.878
187 2HD ARG 30 2HD ARG 30 3.234 10.333 -3.475
188 HE ARG 30 HE ARG 30 1.134 9.969 -4.263
189 1HH1 ARG 30 1HH1 ARG 30 0.920 12.268 -1.651
190 2HH1 ARG 30 2HH1 ARG 30 -0.791 12.483 -1.812
191 1HH2 ARG 30 1HH2 ARG 30 -1.115 10.249 -4.482
192 2HH2 ARG 30 2HH2 ARG 30 -1.947 11.336 -3.421
193 H VAL 31 H VAL 31 3.960 11.889 2.298
194 HA VAL 31 HA VAL 31 1.437 11.122 3.524
195 HB VAL 31 HB VAL 31 3.238 13.483 4.113
196 1HG1 VAL 31 1HG1 VAL 31 0.894 12.323 5.609
197 2HG1 VAL 31 2HG1 VAL 31 2.016 13.504 6.285
198 3HG1 VAL 31 3HG1 VAL 31 1.021 13.930 4.893
199 1HG2 VAL 31 1HG2 VAL 31 4.332 11.302 4.474
200 2HG2 VAL 31 2HG2 VAL 31 4.082 12.191 5.976
201 3HG2 VAL 31 3HG2 VAL 31 3.019 10.846 5.559
202 H VAL 32 H VAL 32 -0.490 12.271 3.346
203 HA VAL 32 HA VAL 32 -0.608 14.160 1.120
204 HB VAL 32 HB VAL 32 -3.056 13.899 1.268
205 1HG1 VAL 32 1HG1 VAL 32 -1.225 12.139 0.264
206 2HG1 VAL 32 2HG1 VAL 32 -2.244 11.089 1.248
207 3HG1 VAL 32 3HG1 VAL 32 -2.964 12.072 -0.026
208 1HG2 VAL 32 1HG2 VAL 32 -2.452 12.883 3.843
209 2HG2 VAL 32 2HG2 VAL 32 -3.203 11.584 2.918
210 3HG2 VAL 32 3HG2 VAL 32 -4.036 13.128 3.105
211 H LYS 33 H LYS 33 -1.449 13.965 4.536
212 HA LYS 33 HA LYS 33 -0.993 16.714 5.015
213 1HB LYS 33 1HB LYS 33 -3.349 17.316 5.631
214 2HB LYS 33 2HB LYS 33 -3.090 17.107 3.904
215 1HG LYS 33 1HG LYS 33 -4.074 14.876 4.022
216 2HG LYS 33 2HG LYS 33 -4.325 15.074 5.757
217 1HD LYS 33 1HD LYS 33 -5.816 16.956 5.339
218 2HD LYS 33 2HD LYS 33 -5.535 16.809 3.603
219 1HE LYS 33 1HE LYS 33 -6.799 14.718 5.374
220 2HE LYS 33 2HE LYS 33 -7.659 15.786 4.264
221 1HZ LYS 33 1HZ LYS 33 -5.577 14.427 2.910
222 2HZ LYS 33 2HZ LYS 33 -6.574 13.310 3.697
223 3HZ LYS 33 3HZ LYS 33 -7.238 14.411 2.596
224 H GLY 34 H GLY 34 0.208 14.927 6.314
225 1HA GLY 34 1HA GLY 34 -1.066 14.826 8.943
226 2HA GLY 34 2HA GLY 34 0.631 14.510 8.596
227 H LYS 35 H LYS 35 -1.763 13.122 6.566
228 HA LYS 35 HA LYS 35 -2.120 10.658 7.961
229 1HB LYS 35 1HB LYS 35 -2.581 11.269 5.041
230 2HB LYS 35 2HB LYS 35 -3.283 9.953 5.966
231 1HG LYS 35 1HG LYS 35 -3.806 12.876 6.451
232 2HG LYS 35 2HG LYS 35 -4.866 11.784 5.560
233 1HD LYS 35 1HD LYS 35 -4.064 11.462 8.451
234 2HD LYS 35 2HD LYS 35 -5.598 12.128 7.889
235 1HE LYS 35 1HE LYS 35 -4.570 9.336 7.385
236 2HE LYS 35 2HE LYS 35 -5.844 9.786 8.518
237 1HZ LYS 35 1HZ LYS 35 -6.441 10.794 5.949
238 2HZ LYS 35 2HZ LYS 35 -6.120 9.137 5.838
239 3HZ LYS 35 3HZ LYS 35 -7.321 9.698 6.889
240 H VAL 36 H VAL 36 -1.825 9.017 5.595
241 HA VAL 36 HA VAL 36 0.843 9.012 4.675
242 HB VAL 36 HB VAL 36 1.338 8.394 6.991
243 1HG1 VAL 36 1HG1 VAL 36 -0.831 7.327 7.481
244 2HG1 VAL 36 2HG1 VAL 36 -0.347 5.949 6.493
245 3HG1 VAL 36 3HG1 VAL 36 0.547 6.338 7.963
246 1HG2 VAL 36 1HG2 VAL 36 1.739 6.277 4.895
247 2HG2 VAL 36 2HG2 VAL 36 2.859 7.541 5.401
248 3HG2 VAL 36 3HG2 VAL 36 2.496 6.199 6.484
249 H GLU 37 H GLU 37 1.043 7.709 2.944
250 HA GLU 37 HA GLU 37 -0.672 5.401 2.593
251 1HB GLU 37 1HB GLU 37 -1.570 6.159 0.440
252 2HB GLU 37 2HB GLU 37 -2.097 7.195 1.757
253 1HG GLU 37 1HG GLU 37 -0.372 8.825 1.142
254 2HG GLU 37 2HG GLU 37 0.101 7.794 -0.206
255 H TYR 38 H TYR 38 0.365 3.848 1.511
256 HA TYR 38 HA TYR 38 2.902 4.570 0.225
257 1HB TYR 38 1HB TYR 38 1.972 2.064 1.591
258 2HB TYR 38 2HB TYR 38 3.345 2.046 0.488
259 HD1 TYR 38 HD1 TYR 38 5.369 2.067 1.540
260 HD2 TYR 38 HD2 TYR 38 2.160 4.262 3.257
261 HE1 TYR 38 HE1 TYR 38 6.860 2.817 3.339
262 HE2 TYR 38 HE2 TYR 38 3.640 5.023 5.065
263 HH TYR 38 HH TYR 38 6.135 3.747 6.054
264 H LEU 39 H LEU 39 3.244 4.257 -1.846
265 HA LEU 39 HA LEU 39 1.145 3.473 -3.579
266 1HB LEU 39 1HB LEU 39 2.977 5.041 -4.196
267 2HB LEU 39 2HB LEU 39 4.107 3.706 -4.149
268 HG LEU 39 HG LEU 39 3.108 2.681 -6.058
269 1HD1 LEU 39 1HD1 LEU 39 0.788 3.298 -5.330
270 2HD1 LEU 39 2HD1 LEU 39 1.052 4.848 -6.122
271 3HD1 LEU 39 3HD1 LEU 39 1.105 3.357 -7.063
272 1HD2 LEU 39 1HD2 LEU 39 3.897 5.499 -6.143
273 2HD2 LEU 39 2HD2 LEU 39 4.473 4.127 -7.093
274 3HD2 LEU 39 3HD2 LEU 39 2.979 4.948 -7.546
275 H LEU 40 H LEU 40 0.776 1.488 -4.581
276 HA LEU 40 HA LEU 40 2.631 -0.694 -3.945
277 1HB LEU 40 1HB LEU 40 -0.327 -0.715 -3.352
278 2HB LEU 40 2HB LEU 40 0.731 -2.106 -3.219
279 HG LEU 40 HG LEU 40 1.245 0.403 -1.639
280 1HD1 LEU 40 1HD1 LEU 40 -0.674 -1.815 -1.092
281 2HD1 LEU 40 2HD1 LEU 40 0.170 -1.013 0.235
282 3HD1 LEU 40 3HD1 LEU 40 -0.866 -0.078 -0.845
283 1HD2 LEU 40 1HD2 LEU 40 2.700 -1.902 -2.016
284 2HD2 LEU 40 2HD2 LEU 40 2.889 -0.752 -0.691
285 3HD2 LEU 40 3HD2 LEU 40 1.871 -2.182 -0.482
286 H LYS 41 H LYS 41 2.890 -2.138 -5.513
287 HA LYS 41 HA LYS 41 1.491 -1.752 -8.017
288 1HB LYS 41 1HB LYS 41 3.989 -2.253 -7.752
289 2HB LYS 41 2HB LYS 41 3.514 -3.904 -7.385
290 1HG LYS 41 1HG LYS 41 2.719 -2.514 -9.928
291 2HG LYS 41 2HG LYS 41 4.218 -3.428 -9.763
292 1HD LYS 41 1HD LYS 41 2.930 -5.430 -9.191
293 2HD LYS 41 2HD LYS 41 1.431 -4.512 -9.347
294 1HE LYS 41 1HE LYS 41 3.434 -5.004 -11.548
295 2HE LYS 41 2HE LYS 41 1.896 -5.845 -11.351
296 1HZ LYS 41 1HZ LYS 41 2.050 -2.903 -11.630
297 2HZ LYS 41 2HZ LYS 41 1.950 -3.925 -12.974
298 3HZ LYS 41 3HZ LYS 41 0.702 -3.907 -11.832
299 H TRP 42 H TRP 42 -0.625 -2.367 -7.434
300 HA TRP 42 HA TRP 42 -1.314 -4.779 -6.195
301 1HB TRP 42 1HB TRP 42 -2.966 -3.154 -8.139
302 2HB TRP 42 2HB TRP 42 -3.578 -4.334 -6.982
303 HD1 TRP 42 HD1 TRP 42 -3.044 -0.723 -7.323
304 HE1 TRP 42 HE1 TRP 42 -3.167 0.454 -5.037
305 HE3 TRP 42 HE3 TRP 42 -2.753 -4.822 -4.288
306 HZ2 TRP 42 HZ2 TRP 42 -3.139 -0.264 -2.300
307 HZ3 TRP 42 HZ3 TRP 42 -2.802 -4.492 -1.851
308 HH2 TRP 42 HH2 TRP 42 -2.989 -2.261 -0.883
309 H LYS 43 H LYS 43 -1.489 -6.800 -6.869
310 HA LYS 43 HA LYS 43 -0.473 -7.603 -9.379
311 1HB LYS 43 1HB LYS 43 -0.280 -9.029 -7.417
312 2HB LYS 43 2HB LYS 43 -2.030 -9.155 -7.303
313 1HG LYS 43 1HG LYS 43 -2.063 -10.313 -9.478
314 2HG LYS 43 2HG LYS 43 -0.300 -10.236 -9.518
315 1HD LYS 43 1HD LYS 43 -0.166 -11.574 -7.499
316 2HD LYS 43 2HD LYS 43 -1.925 -11.591 -7.367
317 1HE LYS 43 1HE LYS 43 -1.090 -13.683 -8.309
318 2HE LYS 43 2HE LYS 43 -2.081 -12.807 -9.476
319 1HZ LYS 43 1HZ LYS 43 0.071 -11.917 -10.384
320 2HZ LYS 43 2HZ LYS 43 0.871 -13.060 -9.425
321 3HZ LYS 43 3HZ LYS 43 -0.198 -13.569 -10.634
322 H GLY 44 H GLY 44 -1.440 -8.378 -11.198
323 1HA GLY 44 1HA GLY 44 -4.295 -8.695 -11.384
324 2HA GLY 44 2HA GLY 44 -3.136 -8.861 -12.695
325 H PHE 45 H PHE 45 -3.704 -6.105 -10.546
326 HA PHE 45 HA PHE 45 -5.115 -4.603 -12.511
327 1HB PHE 45 1HB PHE 45 -3.882 -3.841 -9.864
328 2HB PHE 45 2HB PHE 45 -4.746 -2.694 -10.881
329 HD1 PHE 45 HD1 PHE 45 -5.489 -6.247 -9.991
330 HD2 PHE 45 HD2 PHE 45 -6.720 -2.174 -9.822
331 HE1 PHE 45 HE1 PHE 45 -7.615 -6.935 -8.965
332 HE2 PHE 45 HE2 PHE 45 -8.849 -2.859 -8.798
333 HZ PHE 45 HZ PHE 45 -9.299 -5.240 -8.367
334 H SER 46 H SER 46 -4.371 -3.241 -14.016
335 HA SER 46 HA SER 46 -1.682 -3.246 -14.799
336 1HB SER 46 1HB SER 46 -3.861 -1.258 -15.488
337 2HB SER 46 2HB SER 46 -2.327 -1.419 -16.341
338 HG SER 46 HG SER 46 -4.595 -2.923 -16.532
339 H ASP 47 H ASP 47 -0.170 -1.455 -14.881
340 HA ASP 47 HA ASP 47 0.447 -0.354 -12.434
341 1HB ASP 47 1HB ASP 47 1.138 0.767 -15.158
342 2HB ASP 47 2HB ASP 47 1.943 1.185 -13.651
343 H GLU 48 H GLU 48 -1.731 0.841 -14.877
344 HA GLU 48 HA GLU 48 -1.949 3.498 -13.940
345 1HB GLU 48 1HB GLU 48 -4.026 3.549 -15.285
346 2HB GLU 48 2HB GLU 48 -2.651 2.924 -16.178
347 1HG GLU 48 1HG GLU 48 -3.454 0.645 -15.812
348 2HG GLU 48 2HG GLU 48 -4.837 1.280 -14.921
349 H ASP 49 H ASP 49 -3.744 0.532 -13.218
350 HA ASP 49 HA ASP 49 -5.645 1.840 -11.530
351 1HB ASP 49 1HB ASP 49 -4.974 -1.084 -11.890
352 2HB ASP 49 2HB ASP 49 -6.338 -0.475 -10.964
353 H ASN 50 H ASN 50 -2.877 2.329 -10.759
354 HA ASN 50 HA ASN 50 -2.541 0.821 -8.294
355 1HB ASN 50 1HB ASN 50 -0.844 2.847 -9.736
356 2HB ASN 50 2HB ASN 50 -0.479 2.350 -8.087
357 1HD2 ASN 50 1HD2 ASN 50 1.195 1.044 -8.163
358 2HD2 ASN 50 2HD2 ASN 50 1.396 -0.288 -9.243
359 H THR 51 H THR 51 -2.747 1.655 -6.252
360 HA THR 51 HA THR 51 -3.456 4.469 -5.947
361 HB THR 51 HB THR 51 -5.623 3.404 -6.233
362 HG1 THR 51 HG1 THR 51 -6.485 4.392 -4.511
363 1HG2 THR 51 1HG2 THR 51 -4.421 1.301 -4.715
364 2HG2 THR 51 2HG2 THR 51 -5.871 1.857 -3.879
365 3HG2 THR 51 3HG2 THR 51 -5.974 1.313 -5.553
366 H TRP 52 H TRP 52 -2.661 5.340 -4.147
367 HA TRP 52 HA TRP 52 -0.917 3.821 -2.485
368 1HB TRP 52 1HB TRP 52 -1.908 6.655 -2.139
369 2HB TRP 52 2HB TRP 52 -0.507 5.934 -1.362
370 HD1 TRP 52 HD1 TRP 52 -1.592 6.231 -5.099
371 HE1 TRP 52 HE1 TRP 52 0.462 7.022 -6.434
372 HE3 TRP 52 HE3 TRP 52 1.760 6.604 -1.277
373 HZ2 TRP 52 HZ2 TRP 52 3.143 7.735 -5.926
374 HZ3 TRP 52 HZ3 TRP 52 4.039 7.338 -1.776
375 HH2 TRP 52 HH2 TRP 52 4.725 7.895 -4.054
376 H GLU 53 H GLU 53 -1.678 2.483 -0.963
377 HA GLU 53 HA GLU 53 -4.167 3.130 0.421
378 1HB GLU 53 1HB GLU 53 -3.919 0.857 -0.467
379 2HB GLU 53 2HB GLU 53 -2.467 0.628 0.500
380 1HG GLU 53 1HG GLU 53 -3.814 0.919 2.537
381 2HG GLU 53 2HG GLU 53 -5.260 1.054 1.540
382 HA PRO 54 HA PRO 54 -2.125 4.825 3.973
383 1HB PRO 54 1HB PRO 54 -3.963 3.923 5.867
384 2HB PRO 54 2HB PRO 54 -4.072 5.438 4.968
385 1HG PRO 54 1HG PRO 54 -5.418 2.827 4.460
386 2HG PRO 54 2HG PRO 54 -6.040 4.473 4.247
387 1HD PRO 54 1HD PRO 54 -5.257 2.987 2.157
388 2HD PRO 54 2HD PRO 54 -4.975 4.741 2.203
389 H GLU 55 H GLU 55 -0.524 4.073 5.206
390 HA GLU 55 HA GLU 55 0.268 1.416 5.224
391 1HB GLU 55 1HB GLU 55 1.801 3.260 5.679
392 2HB GLU 55 2HB GLU 55 0.973 3.603 7.192
393 1HG GLU 55 1HG GLU 55 1.649 1.413 8.051
394 2HG GLU 55 2HG GLU 55 2.494 1.087 6.538
395 H GLU 56 H GLU 56 -1.802 3.146 7.464
396 HA GLU 56 HA GLU 56 -1.790 1.498 9.668
397 1HB GLU 56 1HB GLU 56 -4.210 2.828 8.438
398 2HB GLU 56 2HB GLU 56 -4.079 2.266 10.098
399 1HG GLU 56 1HG GLU 56 -2.467 4.467 8.828
400 2HG GLU 56 2HG GLU 56 -3.791 4.665 9.975
401 H ASN 57 H ASN 57 -3.817 1.165 6.760
402 HA ASN 57 HA ASN 57 -4.978 -1.292 7.636
403 1HB ASN 57 1HB ASN 57 -4.928 0.022 4.913
404 2HB ASN 57 2HB ASN 57 -5.856 -1.424 5.301
405 1HD2 ASN 57 1HD2 ASN 57 -6.149 1.753 4.859
406 2HD2 ASN 57 2HD2 ASN 57 -7.482 2.101 5.900
407 H LEU 58 H LEU 58 -2.225 -0.412 5.644
408 HA LEU 58 HA LEU 58 -1.716 -2.810 4.357
409 1HB LEU 58 1HB LEU 58 0.377 -0.986 5.536
410 2HB LEU 58 2HB LEU 58 0.609 -2.135 4.235
411 HG LEU 58 HG LEU 58 -0.913 0.461 4.158
412 1HD1 LEU 58 1HD1 LEU 58 1.656 0.175 3.800
413 2HD1 LEU 58 2HD1 LEU 58 1.162 -0.437 2.220
414 3HD1 LEU 58 3HD1 LEU 58 0.713 1.197 2.713
415 1HD2 LEU 58 1HD2 LEU 58 -2.180 -1.356 3.010
416 2HD2 LEU 58 2HD2 LEU 58 -1.649 -0.049 1.952
417 3HD2 LEU 58 3HD2 LEU 58 -0.784 -1.585 1.956
418 H ASP 59 H ASP 59 -0.909 -4.744 4.915
419 HA ASP 59 HA ASP 59 -0.008 -5.096 7.703
420 1HB ASP 59 1HB ASP 59 -2.268 -6.082 7.221
421 2HB ASP 59 2HB ASP 59 -1.500 -7.140 6.044
422 H CYS 60 H CYS 60 1.706 -4.466 5.573
423 HA CYS 60 HA CYS 60 3.257 -6.955 5.394
424 1HB CYS 60 1HB CYS 60 3.992 -6.283 3.121
425 2HB CYS 60 2HB CYS 60 2.266 -6.613 3.213
426 HG CYS 60 HG CYS 60 2.998 -4.375 1.513
427 HA PRO 61 HA PRO 61 5.580 -3.246 7.272
428 1HB PRO 61 1HB PRO 61 6.371 -5.475 9.079
429 2HB PRO 61 2HB PRO 61 5.956 -3.802 9.471
430 1HG PRO 61 1HG PRO 61 4.243 -5.779 9.968
431 2HG PRO 61 2HG PRO 61 3.674 -4.205 9.379
432 1HD PRO 61 1HD PRO 61 3.984 -6.786 7.907
433 2HD PRO 61 2HD PRO 61 2.733 -5.537 7.747
434 H ASP 62 H ASP 62 6.421 -6.628 6.663
435 HA ASP 62 HA ASP 62 9.201 -6.365 6.564
436 1HB ASP 62 1HB ASP 62 8.024 -8.535 6.608
437 2HB ASP 62 2HB ASP 62 7.451 -8.250 4.968
438 H LEU 63 H LEU 63 6.825 -6.197 3.909
439 HA LEU 63 HA LEU 63 8.706 -5.607 1.892
440 1HB LEU 63 1HB LEU 63 5.749 -5.034 2.060
441 2HB LEU 63 2HB LEU 63 6.713 -4.739 0.627
442 HG LEU 63 HG LEU 63 7.297 -7.211 0.665
443 1HD1 LEU 63 1HD1 LEU 63 5.652 -7.050 3.039
444 2HD1 LEU 63 2HD1 LEU 63 5.041 -8.243 1.893
445 3HD1 LEU 63 3HD1 LEU 63 6.703 -8.350 2.476
446 1HD2 LEU 63 1HD2 LEU 63 4.505 -6.213 0.175
447 2HD2 LEU 63 2HD2 LEU 63 5.811 -6.437 -0.991
448 3HD2 LEU 63 3HD2 LEU 63 5.030 -7.840 -0.261
449 H ILE 64 H ILE 64 6.699 -3.542 3.947
450 HA ILE 64 HA ILE 64 7.283 -1.071 2.818
451 HB ILE 64 HB ILE 64 6.842 -1.707 5.742
452 1HG1 ILE 64 1HG1 ILE 64 4.889 -0.821 3.603
453 2HG1 ILE 64 2HG1 ILE 64 5.025 -2.460 4.230
454 1HG2 ILE 64 1HG2 ILE 64 7.177 0.828 4.258
455 2HG2 ILE 64 2HG2 ILE 64 5.885 0.777 5.457
456 3HG2 ILE 64 3HG2 ILE 64 7.547 0.436 5.936
457 1HD1 ILE 64 1HD1 ILE 64 4.511 -1.462 6.507
458 2HD1 ILE 64 2HD1 ILE 64 4.046 -0.001 5.635
459 3HD1 ILE 64 3HD1 ILE 64 3.194 -1.516 5.335
460 H ALA 65 H ALA 65 9.054 -2.946 5.233
461 HA ALA 65 HA ALA 65 11.049 -1.028 5.782
462 1HB ALA 65 1HB ALA 65 12.318 -3.365 6.272
463 2HB ALA 65 2HB ALA 65 11.177 -2.609 7.385
464 3HB ALA 65 3HB ALA 65 10.636 -3.895 6.306
465 H GLU 66 H GLU 66 10.838 -3.664 3.438
466 HA GLU 66 HA GLU 66 13.431 -3.577 2.426
467 1HB GLU 66 1HB GLU 66 10.847 -4.245 1.002
468 2HB GLU 66 2HB GLU 66 12.453 -4.580 0.368
469 1HG GLU 66 1HG GLU 66 12.896 -6.045 2.277
470 2HG GLU 66 2HG GLU 66 11.278 -5.716 2.895
471 H PHE 67 H PHE 67 10.559 -1.727 1.479
472 HA PHE 67 HA PHE 67 11.763 -0.387 -0.695
473 1HB PHE 67 1HB PHE 67 9.427 -0.346 -0.706
474 2HB PHE 67 2HB PHE 67 9.318 0.130 0.983
475 HD1 PHE 67 HD1 PHE 67 8.701 2.279 1.424
476 HD2 PHE 67 HD2 PHE 67 10.721 1.439 -2.224
477 HE1 PHE 67 HE1 PHE 67 8.463 4.632 0.760
478 HE2 PHE 67 HE2 PHE 67 10.487 3.792 -2.901
479 HZ PHE 67 HZ PHE 67 9.359 5.395 -1.406
480 H LEU 68 H LEU 68 11.350 0.489 2.714
481 HA LEU 68 HA LEU 68 12.431 3.070 2.520
482 1HB LEU 68 1HB LEU 68 12.338 1.208 4.886
483 2HB LEU 68 2HB LEU 68 12.654 2.933 4.961
484 HG LEU 68 HG LEU 68 10.092 1.637 4.035
485 1HD1 LEU 68 1HD1 LEU 68 10.892 3.066 6.544
486 2HD1 LEU 68 2HD1 LEU 68 9.209 2.922 6.036
487 3HD1 LEU 68 3HD1 LEU 68 10.159 1.472 6.363
488 1HD2 LEU 68 1HD2 LEU 68 11.182 4.145 3.358
489 2HD2 LEU 68 2HD2 LEU 68 9.555 3.539 3.040
490 3HD2 LEU 68 3HD2 LEU 68 9.886 4.443 4.520
491 H GLN 69 H GLN 69 13.971 -0.026 2.596
492 HA GLN 69 HA GLN 69 16.433 0.531 3.712
493 1HB GLN 69 1HB GLN 69 15.839 -1.176 1.288
494 2HB GLN 69 2HB GLN 69 17.352 -1.201 2.183
495 1HG GLN 69 1HG GLN 69 16.148 -1.941 4.182
496 2HG GLN 69 2HG GLN 69 14.642 -1.939 3.265
497 1HE2 GLN 69 1HE2 GLN 69 17.016 -3.860 4.410
498 2HE2 GLN 69 2HE2 GLN 69 16.905 -5.174 3.294
499 H SER 70 H SER 70 15.359 1.118 0.383
500 HA SER 70 HA SER 70 17.852 2.444 -0.280
501 1HB SER 70 1HB SER 70 15.320 2.066 -1.899
502 2HB SER 70 2HB SER 70 16.827 2.745 -2.513
503 HG SER 70 HG SER 70 16.220 0.107 -1.786
504 H GLN 71 H GLN 71 16.324 3.611 1.844
505 HA GLN 71 HA GLN 71 16.029 6.299 0.756
506 1HB GLN 71 1HB GLN 71 13.875 4.908 2.359
507 2HB GLN 71 2HB GLN 71 13.900 6.632 2.018
508 1HG GLN 71 1HG GLN 71 13.859 4.509 -0.108
509 2HG GLN 71 2HG GLN 71 12.412 5.273 0.545
510 1HE2 GLN 71 1HE2 GLN 71 14.613 7.643 0.670
511 2HE2 GLN 71 2HE2 GLN 71 14.374 8.371 -0.875
512 H LYS 72 H LYS 72 16.385 4.126 3.465
513 HA LYS 72 HA LYS 72 16.517 5.869 5.603
514 1HB LYS 72 1HB LYS 72 18.149 3.385 5.055
515 2HB LYS 72 2HB LYS 72 18.093 4.200 6.614
516 1HG LYS 72 1HG LYS 72 15.734 2.979 5.192
517 2HG LYS 72 2HG LYS 72 16.616 2.251 6.535
518 1HD LYS 72 1HD LYS 72 15.986 4.137 7.967
519 2HD LYS 72 2HD LYS 72 15.104 4.863 6.622
520 1HE LYS 72 1HE LYS 72 13.621 2.920 6.547
521 2HE LYS 72 2HE LYS 72 14.507 2.189 7.885
522 1HZ LYS 72 1HZ LYS 72 13.750 4.751 8.678
523 2HZ LYS 72 2HZ LYS 72 12.385 4.028 7.987
524 3HZ LYS 72 3HZ LYS 72 13.184 3.271 9.270
525 H THR 73 H THR 73 17.671 7.638 5.857
526 HA THR 73 HA THR 73 19.440 9.067 5.990
527 HB THR 73 HB THR 73 21.126 6.768 4.975
528 HG1 THR 73 HG1 THR 73 21.717 6.705 7.263
529 1HG2 THR 73 1HG2 THR 73 21.845 9.360 4.915
530 2HG2 THR 73 2HG2 THR 73 22.295 8.964 6.573
531 3HG2 THR 73 3HG2 THR 73 22.981 8.050 5.230
532 H ALA 74 H ALA 74 19.418 7.044 3.077
533 HA ALA 74 HA ALA 74 18.864 9.118 1.306
534 1HB ALA 74 1HB ALA 74 21.763 8.327 1.163
535 2HB ALA 74 2HB ALA 74 21.198 9.796 1.958
536 3HB ALA 74 3HB ALA 74 20.928 9.569 0.230
537 H HIS 75 H HIS 75 20.756 6.127 1.618
538 HA HIS 75 HA HIS 75 19.035 4.586 0.034
539 1HB HIS 75 1HB HIS 75 19.860 5.960 -1.821
540 2HB HIS 75 2HB HIS 75 21.520 5.549 -1.405
541 HD1 HIS 75 HD1 HIS 75 18.375 3.546 -2.214
542 HD2 HIS 75 HD2 HIS 75 22.444 3.626 -3.043
543 HE1 HIS 75 HE1 HIS 75 18.779 1.621 -3.782
544 HE2 HIS 75 HE2 HIS 75 21.256 1.663 -4.238
545 H GLU 76 H GLU 76 22.261 5.120 1.285
546 HA GLU 76 HA GLU 76 23.732 3.755 2.352
547 1HB GLU 76 1HB GLU 76 21.446 1.773 2.339
548 2HB GLU 76 2HB GLU 76 22.933 1.601 3.261
549 1HG GLU 76 1HG GLU 76 22.391 3.599 4.537
550 2HG GLU 76 2HG GLU 76 20.914 3.807 3.598
551 H THR 77 H THR 77 24.286 3.977 -0.173
552 HA THR 77 HA THR 77 24.197 1.822 -1.898
553 HB THR 77 HB THR 77 26.233 2.728 -2.954
554 HG1 THR 77 HG1 THR 77 26.329 4.237 -0.553
555 1HG2 THR 77 1HG2 THR 77 24.100 4.670 -2.095
556 2HG2 THR 77 2HG2 THR 77 25.376 5.117 -3.229
557 3HG2 THR 77 3HG2 THR 77 24.256 3.817 -3.631
558 H ASP 78 H ASP 78 26.477 2.458 0.727
559 HA ASP 78 HA ASP 78 27.092 -0.317 0.997
560 1HB ASP 78 1HB ASP 78 28.525 0.221 -0.938
561 2HB ASP 78 2HB ASP 78 29.292 1.504 -0.009
562 H LYS 79 H LYS 79 28.165 2.994 1.684
563 HA LYS 79 HA LYS 79 29.380 2.364 4.174
564 1HB LYS 79 1HB LYS 79 28.359 4.999 3.097
565 2HB LYS 79 2HB LYS 79 29.352 4.820 4.538
566 1HG LYS 79 1HG LYS 79 31.166 3.916 3.195
567 2HG LYS 79 2HG LYS 79 30.170 4.045 1.745
568 1HD LYS 79 1HD LYS 79 30.894 6.399 3.482
569 2HD LYS 79 2HD LYS 79 31.842 5.899 2.082
570 1HE LYS 79 1HE LYS 79 30.364 7.677 1.426
571 2HE LYS 79 2HE LYS 79 29.823 6.178 0.674
572 1HZ LYS 79 1HZ LYS 79 28.630 6.852 3.244
573 2HZ LYS 79 2HZ LYS 79 28.190 7.827 1.933
574 3HZ LYS 79 3HZ LYS 79 27.925 6.158 1.870
575 H SER 80 H SER 80 27.943 4.760 5.457
576 HA SER 80 HA SER 80 25.261 4.040 5.932
577 1HB SER 80 1HB SER 80 25.463 3.150 8.225
578 2HB SER 80 2HB SER 80 26.242 2.089 7.052
579 HG SER 80 HG SER 80 28.237 2.956 7.673
580 H1 ALA 1 H1 ALA 1 1.599 -16.340 11.504
581 H2 ALA 1 H2 ALA 1 2.748 -16.706 12.689
582 H3 ALA 1 H3 ALA 1 1.113 -17.029 12.971
583 HA ALA 1 HA ALA 1 0.641 -14.960 13.583
584 1HB ALA 1 1HB ALA 1 3.611 -14.529 13.702
585 2HB ALA 1 2HB ALA 1 2.365 -13.931 14.798
586 3HB ALA 1 3HB ALA 1 2.780 -15.645 14.787
587 H ARG 2 H ARG 2 0.527 -15.028 10.822
588 HA ARG 2 HA ARG 2 0.678 -12.288 10.174
589 1HB ARG 2 1HB ARG 2 2.388 -12.356 8.416
590 2HB ARG 2 2HB ARG 2 3.078 -12.724 9.990
591 1HG ARG 2 1HG ARG 2 3.054 -15.104 9.453
592 2HG ARG 2 2HG ARG 2 2.347 -14.742 7.877
593 1HD ARG 2 1HD ARG 2 4.338 -13.409 7.315
594 2HD ARG 2 2HD ARG 2 5.043 -13.825 8.877
595 HE ARG 2 HE ARG 2 5.115 -15.399 6.546
596 1HH1 ARG 2 1HH1 ARG 2 4.621 -15.702 9.986
597 2HH1 ARG 2 2HH1 ARG 2 5.188 -17.338 10.050
598 1HH2 ARG 2 1HH2 ARG 2 5.863 -17.549 6.628
599 2HH2 ARG 2 2HH2 ARG 2 5.894 -18.385 8.144
600 H THR 3 H THR 3 -0.768 -11.876 8.621
601 HA THR 3 HA THR 3 -2.123 -14.095 7.362
602 HB THR 3 HB THR 3 -3.670 -12.405 6.481
603 HG1 THR 3 HG1 THR 3 -1.672 -10.665 7.438
604 1HG2 THR 3 1HG2 THR 3 -3.772 -13.289 8.877
605 2HG2 THR 3 2HG2 THR 3 -3.116 -11.724 9.356
606 3HG2 THR 3 3HG2 THR 3 -4.670 -11.812 8.528
607 H GLN 5 H GLN 5 1.525 -11.620 5.824
608 HA GLN 5 HA GLN 5 1.946 -9.403 5.560
609 1HB GLN 5 1HB GLN 5 2.652 -10.183 2.724
610 2HB GLN 5 2HB GLN 5 3.148 -8.716 3.553
611 1HG GLN 5 1HG GLN 5 3.927 -11.507 4.361
612 2HG GLN 5 2HG GLN 5 4.928 -10.403 3.423
613 1HE2 GLN 5 1HE2 GLN 5 3.390 -8.400 5.434
614 2HE2 GLN 5 2HE2 GLN 5 4.486 -8.388 6.768
615 H THR 6 H THR 6 1.158 -9.589 2.173
616 HA THR 6 HA THR 6 -0.425 -8.569 0.906
617 HB THR 6 HB THR 6 -2.755 -8.926 1.524
618 HG1 THR 6 HG1 THR 6 -3.357 -9.463 3.540
619 1HG2 THR 6 1HG2 THR 6 -1.012 -11.280 2.248
620 2HG2 THR 6 2HG2 THR 6 -2.717 -11.361 1.809
621 3HG2 THR 6 3HG2 THR 6 -1.526 -10.829 0.623
622 H ALA 7 H ALA 7 -2.840 -7.300 1.819
623 HA ALA 7 HA ALA 7 -2.370 -5.179 3.610
624 1HB ALA 7 1HB ALA 7 -1.131 -3.806 2.330
625 2HB ALA 7 2HB ALA 7 -1.415 -4.771 0.881
626 3HB ALA 7 3HB ALA 7 -2.594 -3.556 1.378
627 H ARG 8 H ARG 8 -3.964 -3.785 1.036
628 HA ARG 8 HA ARG 8 -6.396 -5.141 0.897
629 1HB ARG 8 1HB ARG 8 -6.294 -4.388 3.389
630 2HB ARG 8 2HB ARG 8 -6.696 -2.800 2.754
631 1HG ARG 8 1HG ARG 8 -8.735 -3.704 1.764
632 2HG ARG 8 2HG ARG 8 -8.333 -5.309 2.389
633 1HD ARG 8 1HD ARG 8 -8.338 -4.324 4.686
634 2HD ARG 8 2HD ARG 8 -8.926 -2.817 3.986
635 HE ARG 8 HE ARG 8 -11.005 -3.730 3.993
636 1HH1 ARG 8 1HH1 ARG 8 -8.687 -6.333 3.884
637 2HH1 ARG 8 2HH1 ARG 8 -9.891 -7.577 3.953
638 1HH2 ARG 8 1HH2 ARG 8 -12.591 -5.362 4.090
639 2HH2 ARG 8 2HH2 ARG 8 -12.107 -7.025 4.068
640 H SER 10 H SER 10 -6.849 0.014 1.522
641 HA SER 10 HA SER 10 -7.566 1.731 2.821
642 1HB SER 10 1HB SER 10 -7.182 3.032 0.773
643 2HB SER 10 2HB SER 10 -8.826 2.686 0.240
644 HG SER 10 HG SER 10 -8.243 3.986 2.687
645 H THR 11 H THR 11 -9.176 -0.620 2.791
646 HA THR 11 HA THR 11 -11.245 -1.424 3.341
647 HB THR 11 HB THR 11 -12.370 -0.202 5.155
648 HG1 THR 11 HG1 THR 11 -11.470 1.813 5.816
649 1HG2 THR 11 1HG2 THR 11 -10.375 -1.596 5.621
650 2HG2 THR 11 2HG2 THR 11 -9.366 -0.158 5.463
651 3HG2 THR 11 3HG2 THR 11 -10.557 -0.261 6.758
652 H GLY 12 H GLY 12 -11.535 -0.584 0.857
653 1HA GLY 12 1HA GLY 12 -12.937 0.382 -0.708
654 2HA GLY 12 2HA GLY 12 -13.540 1.451 0.549
655 H GLY 13 H GLY 13 -14.665 -0.165 2.372
656 1HA GLY 13 1HA GLY 13 -16.120 -2.369 1.576
657 2HA GLY 13 2HA GLY 13 -17.073 -0.977 1.084
658 H LYS 14 H LYS 14 -16.629 -3.172 3.484
659 HA LYS 14 HA LYS 14 -17.325 -3.377 5.633
660 1HB LYS 14 1HB LYS 14 -15.604 -1.524 5.939
661 2HB LYS 14 2HB LYS 14 -16.950 -0.395 5.919
662 1HG LYS 14 1HG LYS 14 -17.918 -1.539 7.866
663 2HG LYS 14 2HG LYS 14 -16.529 -2.625 7.898
664 1HD LYS 14 1HD LYS 14 -16.344 0.375 8.153
665 2HD LYS 14 2HD LYS 14 -16.391 -0.734 9.522
666 1HE LYS 14 1HE LYS 14 -14.106 -0.182 9.114
667 2HE LYS 14 2HE LYS 14 -14.356 -1.846 8.590
668 1HZ LYS 14 1HZ LYS 14 -14.652 0.289 6.607
669 2HZ LYS 14 2HZ LYS 14 -13.088 -0.125 7.099
670 3HZ LYS 14 3HZ LYS 14 -14.095 -1.297 6.410
671 H ALA 15 H ALA 15 -18.694 -0.640 6.695
672 HA ALA 15 HA ALA 15 -20.844 0.026 7.019
673 1HB ALA 15 1HB ALA 15 -20.664 -0.434 4.089
674 2HB ALA 15 2HB ALA 15 -22.257 -0.144 4.790
675 3HB ALA 15 3HB ALA 15 -20.976 1.053 4.985
676 HA PRO 16 HA PRO 16 -22.106 -4.545 7.323
677 1HB PRO 16 1HB PRO 16 -22.381 -4.463 10.062
678 2HB PRO 16 2HB PRO 16 -20.927 -5.008 9.220
679 1HG PRO 16 1HG PRO 16 -21.525 -2.340 10.437
680 2HG PRO 16 2HG PRO 16 -20.023 -3.283 10.483
681 1HD PRO 16 1HD PRO 16 -20.311 -1.199 8.824
682 2HD PRO 16 2HD PRO 16 -19.416 -2.653 8.334
683 H GLY 17 H GLY 17 -24.204 -4.999 7.114
684 1HA GLY 17 1HA GLY 17 -26.199 -3.014 7.387
685 2HA GLY 17 2HA GLY 17 -26.273 -4.111 8.758
686 H GLY 18 H GLY 18 -25.520 -4.765 5.349
687 1HA GLY 18 1HA GLY 18 -28.026 -5.813 4.638
688 2HA GLY 18 2HA GLY 18 -27.033 -7.129 5.245
No H/Q in entry = 688
Start of MODEL 19
1 H1 HIS 8 H1 HIS 8 -33.892 1.948 -6.142
2 H2 HIS 8 H2 HIS 8 -33.426 2.446 -7.690
3 H3 HIS 8 H3 HIS 8 -34.604 1.247 -7.508
4 HA HIS 8 HA HIS 8 -33.132 -0.383 -7.202
5 1HB HIS 8 1HB HIS 8 -32.416 0.938 -9.233
6 2HB HIS 8 2HB HIS 8 -31.197 1.709 -8.225
7 HD1 HIS 8 HD1 HIS 8 -29.812 0.456 -10.336
8 HD2 HIS 8 HD2 HIS 8 -31.192 -1.878 -7.187
9 HE1 HIS 8 HE1 HIS 8 -28.461 -1.662 -10.426
10 HE2 HIS 8 HE2 HIS 8 -29.365 -3.090 -8.559
11 H MET 9 H MET 9 -33.481 0.716 -4.743
12 HA MET 9 HA MET 9 -31.157 1.623 -3.444
13 1HB MET 9 1HB MET 9 -33.600 0.209 -2.371
14 2HB MET 9 2HB MET 9 -32.334 0.869 -1.348
15 1HG MET 9 1HG MET 9 -34.156 2.414 -1.437
16 2HG MET 9 2HG MET 9 -32.777 3.103 -2.289
17 1HE MET 9 1HE MET 9 -35.318 4.370 -2.401
18 2HE MET 9 2HE MET 9 -34.501 4.958 -3.851
19 3HE MET 9 3HE MET 9 -36.151 4.341 -3.955
20 H VAL 10 H VAL 10 -29.460 0.610 -2.543
21 HA VAL 10 HA VAL 10 -28.815 -2.023 -3.308
22 HB VAL 10 HB VAL 10 -26.883 -1.812 -1.785
23 1HG1 VAL 10 1HG1 VAL 10 -26.767 -0.885 -4.038
24 2HG1 VAL 10 2HG1 VAL 10 -27.415 0.647 -3.450
25 3HG1 VAL 10 3HG1 VAL 10 -25.833 0.091 -2.904
26 1HG2 VAL 10 1HG2 VAL 10 -28.196 0.784 -0.988
27 2HG2 VAL 10 2HG2 VAL 10 -27.912 -0.618 0.044
28 3HG2 VAL 10 3HG2 VAL 10 -26.547 0.313 -0.572
29 H GLU 11 H GLU 11 -28.805 -3.943 -2.215
30 HA GLU 11 HA GLU 11 -30.844 -4.477 -0.406
31 1HB GLU 11 1HB GLU 11 -28.311 -6.061 -0.863
32 2HB GLU 11 2HB GLU 11 -29.773 -6.668 -0.097
33 1HG GLU 11 1HG GLU 11 -29.516 -5.739 -2.948
34 2HG GLU 11 2HG GLU 11 -29.624 -7.410 -2.397
35 H GLU 12 H GLU 12 -27.408 -3.871 0.185
36 HA GLU 12 HA GLU 12 -26.303 -3.136 2.032
37 1HB GLU 12 1HB GLU 12 -29.083 -2.932 3.184
38 2HB GLU 12 2HB GLU 12 -27.638 -2.494 4.082
39 1HG GLU 12 1HG GLU 12 -28.460 -1.259 1.464
40 2HG GLU 12 2HG GLU 12 -28.806 -0.574 3.051
41 H VAL 13 H VAL 13 -28.718 -5.657 2.523
42 HA VAL 13 HA VAL 13 -27.392 -6.766 4.811
43 HB VAL 13 HB VAL 13 -28.979 -8.647 4.559
44 1HG1 VAL 13 1HG1 VAL 13 -29.499 -6.066 5.336
45 2HG1 VAL 13 2HG1 VAL 13 -30.821 -6.411 4.221
46 3HG1 VAL 13 3HG1 VAL 13 -30.548 -7.456 5.617
47 1HG2 VAL 13 1HG2 VAL 13 -28.997 -8.211 1.951
48 2HG2 VAL 13 2HG2 VAL 13 -30.382 -8.928 2.774
49 3HG2 VAL 13 3HG2 VAL 13 -30.390 -7.213 2.368
50 H LEU 14 H LEU 14 -25.616 -6.481 2.633
51 HA LEU 14 HA LEU 14 -24.324 -8.961 2.654
52 1HB LEU 14 1HB LEU 14 -26.144 -9.654 1.162
53 2HB LEU 14 2HB LEU 14 -25.758 -8.339 0.069
54 HG LEU 14 HG LEU 14 -23.570 -9.370 -0.397
55 1HD1 LEU 14 1HD1 LEU 14 -24.058 -10.788 1.953
56 2HD1 LEU 14 2HD1 LEU 14 -24.147 -11.986 0.661
57 3HD1 LEU 14 3HD1 LEU 14 -22.701 -10.992 0.845
58 1HD2 LEU 14 1HD2 LEU 14 -26.098 -10.239 -1.237
59 2HD2 LEU 14 2HD2 LEU 14 -24.558 -10.440 -2.073
60 3HD2 LEU 14 3HD2 LEU 14 -25.141 -11.699 -0.983
61 H GLU 15 H GLU 15 -22.252 -8.472 2.450
62 HA GLU 15 HA GLU 15 -21.073 -7.064 0.357
63 1HB GLU 15 1HB GLU 15 -22.202 -5.094 1.302
64 2HB GLU 15 2HB GLU 15 -21.429 -5.390 2.853
65 1HG GLU 15 1HG GLU 15 -19.241 -5.013 1.834
66 2HG GLU 15 2HG GLU 15 -20.019 -4.709 0.283
67 H GLU 16 H GLU 16 -18.988 -7.646 0.329
68 HA GLU 16 HA GLU 16 -17.907 -9.112 2.548
69 1HB GLU 16 1HB GLU 16 -16.090 -9.661 1.126
70 2HB GLU 16 2HB GLU 16 -17.529 -9.677 0.119
71 1HG GLU 16 1HG GLU 16 -15.507 -7.451 0.265
72 2HG GLU 16 2HG GLU 16 -15.628 -8.655 -1.013
73 H GLU 17 H GLU 17 -18.331 -6.004 2.416
74 HA GLU 17 HA GLU 17 -17.229 -4.084 3.018
75 1HB GLU 17 1HB GLU 17 -16.286 -4.232 5.279
76 2HB GLU 17 2HB GLU 17 -17.805 -5.106 5.155
77 1HG GLU 17 1HG GLU 17 -16.572 -7.214 4.988
78 2HG GLU 17 2HG GLU 17 -15.053 -6.329 5.125
79 H GLU 18 H GLU 18 -14.677 -4.183 4.630
80 HA GLU 18 HA GLU 18 -12.891 -3.762 2.470
81 1HB GLU 18 1HB GLU 18 -12.469 -3.919 5.428
82 2HB GLU 18 2HB GLU 18 -11.162 -3.592 4.309
83 1HG GLU 18 1HG GLU 18 -11.886 -1.511 5.173
84 2HG GLU 18 2HG GLU 18 -12.459 -1.607 3.510
85 H GLU 19 H GLU 19 -11.102 -4.994 1.802
86 HA GLU 19 HA GLU 19 -10.811 -7.665 2.957
87 1HB GLU 19 1HB GLU 19 -12.437 -7.914 1.148
88 2HB GLU 19 2HB GLU 19 -11.320 -7.156 0.023
89 1HG GLU 19 1HG GLU 19 -9.748 -9.009 0.353
90 2HG GLU 19 2HG GLU 19 -10.898 -9.775 1.449
91 H GLU 20 H GLU 20 -8.805 -8.549 2.782
92 HA GLU 20 HA GLU 20 -6.648 -6.759 2.148
93 1HB GLU 20 1HB GLU 20 -6.676 -9.638 3.066
94 2HB GLU 20 2HB GLU 20 -5.216 -8.679 2.867
95 1HG GLU 20 1HG GLU 20 -5.943 -7.148 4.578
96 2HG GLU 20 2HG GLU 20 -7.475 -8.007 4.738
97 H TYR 21 H TYR 21 -5.440 -6.693 0.351
98 HA TYR 21 HA TYR 21 -5.770 -8.862 -1.620
99 1HB TYR 21 1HB TYR 21 -5.577 -5.885 -2.086
100 2HB TYR 21 2HB TYR 21 -5.309 -7.064 -3.363
101 HD1 TYR 21 HD1 TYR 21 -7.090 -7.344 -4.781
102 HD2 TYR 21 HD2 TYR 21 -7.873 -6.506 -0.685
103 HE1 TYR 21 HE1 TYR 21 -9.505 -7.406 -5.236
104 HE2 TYR 21 HE2 TYR 21 -10.291 -6.570 -1.129
105 HH TYR 21 HH TYR 21 -11.850 -6.425 -2.866
106 H VAL 22 H VAL 22 -4.021 -9.737 -2.448
107 HA VAL 22 HA VAL 22 -1.558 -9.537 -1.211
108 HB VAL 22 HB VAL 22 -1.464 -10.362 -4.041
109 1HG1 VAL 22 1HG1 VAL 22 -0.112 -10.849 -1.644
110 2HG1 VAL 22 2HG1 VAL 22 -0.883 -12.369 -2.088
111 3HG1 VAL 22 3HG1 VAL 22 0.203 -11.569 -3.224
112 1HG2 VAL 22 1HG2 VAL 22 -3.264 -11.772 -2.068
113 2HG2 VAL 22 2HG2 VAL 22 -3.748 -11.013 -3.586
114 3HG2 VAL 22 3HG2 VAL 22 -2.725 -12.451 -3.604
115 H VAL 23 H VAL 23 0.296 -8.406 -1.567
116 HA VAL 23 HA VAL 23 0.354 -6.554 -3.842
117 HB VAL 23 HB VAL 23 -0.395 -5.258 -1.927
118 1HG1 VAL 23 1HG1 VAL 23 0.808 -6.787 -0.260
119 2HG1 VAL 23 2HG1 VAL 23 2.200 -5.739 -0.537
120 3HG1 VAL 23 3HG1 VAL 23 0.697 -5.062 0.093
121 1HG2 VAL 23 1HG2 VAL 23 1.138 -4.299 -3.654
122 2HG2 VAL 23 2HG2 VAL 23 1.165 -3.469 -2.098
123 3HG2 VAL 23 3HG2 VAL 23 2.469 -4.574 -2.531
124 H GLU 24 H GLU 24 2.287 -6.271 -4.791
125 HA GLU 24 HA GLU 24 4.344 -8.157 -4.215
126 1HB GLU 24 1HB GLU 24 3.721 -7.400 -6.504
127 2HB GLU 24 2HB GLU 24 4.439 -5.835 -6.134
128 1HG GLU 24 1HG GLU 24 6.049 -7.068 -7.351
129 2HG GLU 24 2HG GLU 24 6.579 -7.029 -5.670
130 H LYS 25 H LYS 25 4.403 -4.560 -4.253
131 HA LYS 25 HA LYS 25 5.949 -4.387 -1.884
132 1HB LYS 25 1HB LYS 25 7.686 -5.370 -3.306
133 2HB LYS 25 2HB LYS 25 7.476 -4.064 -4.467
134 1HG LYS 25 1HG LYS 25 8.262 -2.453 -2.835
135 2HG LYS 25 2HG LYS 25 8.414 -3.728 -1.625
136 1HD LYS 25 1HD LYS 25 10.090 -4.846 -3.009
137 2HD LYS 25 2HD LYS 25 9.933 -3.579 -4.229
138 1HE LYS 25 1HE LYS 25 10.709 -1.921 -2.615
139 2HE LYS 25 2HE LYS 25 10.840 -3.171 -1.380
140 1HZ LYS 25 1HZ LYS 25 12.299 -3.485 -3.913
141 2HZ LYS 25 2HZ LYS 25 12.921 -2.456 -2.722
142 3HZ LYS 25 3HZ LYS 25 12.672 -4.093 -2.378
143 H VAL 26 H VAL 26 6.284 -2.261 -1.191
144 HA VAL 26 HA VAL 26 4.587 -0.301 -2.323
145 HB VAL 26 HB VAL 26 5.677 1.318 -0.793
146 1HG1 VAL 26 1HG1 VAL 26 4.502 -1.226 0.115
147 2HG1 VAL 26 2HG1 VAL 26 5.239 -0.189 1.338
148 3HG1 VAL 26 3HG1 VAL 26 3.944 0.438 0.315
149 1HG2 VAL 26 1HG2 VAL 26 7.429 -1.025 -0.157
150 2HG2 VAL 26 2HG2 VAL 26 7.909 0.566 -0.753
151 3HG2 VAL 26 3HG2 VAL 26 7.264 0.391 0.880
152 H LEU 27 H LEU 27 4.961 1.335 -3.701
153 HA LEU 27 HA LEU 27 7.521 1.318 -5.064
154 1HB LEU 27 1HB LEU 27 4.936 2.730 -5.704
155 2HB LEU 27 2HB LEU 27 6.399 2.893 -6.653
156 HG LEU 27 HG LEU 27 4.945 1.353 -7.765
157 1HD1 LEU 27 1HD1 LEU 27 7.391 0.248 -6.488
158 2HD1 LEU 27 2HD1 LEU 27 6.360 -0.835 -7.424
159 3HD1 LEU 27 3HD1 LEU 27 7.056 0.596 -8.183
160 1HD2 LEU 27 1HD2 LEU 27 4.252 0.561 -5.130
161 2HD2 LEU 27 2HD2 LEU 27 3.503 0.091 -6.655
162 3HD2 LEU 27 3HD2 LEU 27 4.834 -0.859 -5.997
163 H ASP 28 H ASP 28 5.835 3.113 -2.663
164 HA ASP 28 HA ASP 28 8.053 4.747 -2.102
165 1HB ASP 28 1HB ASP 28 7.260 5.719 -4.349
166 2HB ASP 28 2HB ASP 28 5.894 6.365 -3.446
167 H ARG 29 H ARG 29 6.480 7.132 -1.362
168 HA ARG 29 HA ARG 29 4.342 6.382 0.346
169 1HB ARG 29 1HB ARG 29 5.439 6.794 2.499
170 2HB ARG 29 2HB ARG 29 6.170 5.425 1.672
171 1HG ARG 29 1HG ARG 29 8.026 6.823 0.960
172 2HG ARG 29 2HG ARG 29 7.287 8.221 1.742
173 1HD ARG 29 1HD ARG 29 7.488 7.147 3.909
174 2HD ARG 29 2HD ARG 29 8.145 5.696 3.153
175 HE ARG 29 HE ARG 29 9.747 7.880 2.437
176 1HH1 ARG 29 1HH1 ARG 29 8.925 5.999 5.257
177 2HH1 ARG 29 2HH1 ARG 29 10.451 6.261 6.032
178 1HH2 ARG 29 1HH2 ARG 29 11.756 8.225 3.450
179 2HH2 ARG 29 2HH2 ARG 29 12.059 7.528 5.005
180 H ARG 30 H ARG 30 3.193 8.159 0.953
181 HA ARG 30 HA ARG 30 4.414 10.774 1.039
182 1HB ARG 30 1HB ARG 30 2.904 11.760 -0.657
183 2HB ARG 30 2HB ARG 30 4.041 10.607 -1.343
184 1HG ARG 30 1HG ARG 30 2.310 8.919 -1.449
185 2HG ARG 30 2HG ARG 30 1.164 10.018 -0.678
186 1HD ARG 30 1HD ARG 30 2.521 10.477 -3.333
187 2HD ARG 30 2HD ARG 30 0.861 9.920 -3.116
188 HE ARG 30 HE ARG 30 1.184 12.321 -1.711
189 1HH1 ARG 30 1HH1 ARG 30 1.132 11.160 -4.999
190 2HH1 ARG 30 2HH1 ARG 30 0.534 12.649 -5.650
191 1HH2 ARG 30 1HH2 ARG 30 0.394 14.282 -2.561
192 2HH2 ARG 30 2HH2 ARG 30 0.114 14.422 -4.265
193 H VAL 31 H VAL 31 3.381 12.074 2.444
194 HA VAL 31 HA VAL 31 1.045 11.016 3.786
195 HB VAL 31 HB VAL 31 2.735 13.457 4.326
196 1HG1 VAL 31 1HG1 VAL 31 0.216 12.484 5.629
197 2HG1 VAL 31 2HG1 VAL 31 1.417 13.399 6.541
198 3HG1 VAL 31 3HG1 VAL 31 0.648 14.119 5.126
199 1HG2 VAL 31 1HG2 VAL 31 3.456 10.975 4.791
200 2HG2 VAL 31 2HG2 VAL 31 3.764 12.242 5.978
201 3HG2 VAL 31 3HG2 VAL 31 2.389 11.157 6.184
202 H VAL 32 H VAL 32 -0.984 11.651 3.538
203 HA VAL 32 HA VAL 32 -1.581 13.748 1.606
204 HB VAL 32 HB VAL 32 -3.959 12.948 1.905
205 1HG1 VAL 32 1HG1 VAL 32 -1.742 11.655 0.615
206 2HG1 VAL 32 2HG1 VAL 32 -2.960 10.465 1.073
207 3HG1 VAL 32 3HG1 VAL 32 -3.406 11.838 0.060
208 1HG2 VAL 32 1HG2 VAL 32 -2.619 11.310 3.944
209 2HG2 VAL 32 2HG2 VAL 32 -4.305 11.811 3.820
210 3HG2 VAL 32 3HG2 VAL 32 -3.726 10.425 2.894
211 H LYS 33 H LYS 33 -4.229 13.606 3.524
212 HA LYS 33 HA LYS 33 -4.040 16.187 4.529
213 1HB LYS 33 1HB LYS 33 -5.908 15.524 6.038
214 2HB LYS 33 2HB LYS 33 -6.175 15.065 4.362
215 1HG LYS 33 1HG LYS 33 -5.535 12.772 4.865
216 2HG LYS 33 2HG LYS 33 -5.202 13.218 6.538
217 1HD LYS 33 1HD LYS 33 -7.381 12.156 6.353
218 2HD LYS 33 2HD LYS 33 -7.556 13.844 6.832
219 1HE LYS 33 1HE LYS 33 -8.074 14.440 4.510
220 2HE LYS 33 2HE LYS 33 -7.912 12.746 4.044
221 1HZ LYS 33 1HZ LYS 33 -9.689 12.656 6.084
222 2HZ LYS 33 2HZ LYS 33 -10.114 14.094 5.302
223 3HZ LYS 33 3HZ LYS 33 -10.089 12.640 4.440
224 H GLY 34 H GLY 34 -2.741 13.217 5.690
225 1HA GLY 34 1HA GLY 34 -2.378 13.897 8.418
226 2HA GLY 34 2HA GLY 34 -0.949 14.331 7.485
227 H LYS 35 H LYS 35 -2.935 11.673 6.519
228 HA LYS 35 HA LYS 35 -1.368 9.668 7.873
229 1HB LYS 35 1HB LYS 35 -3.596 9.477 5.845
230 2HB LYS 35 2HB LYS 35 -2.861 8.102 6.655
231 1HG LYS 35 1HG LYS 35 -3.647 8.855 8.786
232 2HG LYS 35 2HG LYS 35 -4.239 10.361 8.079
233 1HD LYS 35 1HD LYS 35 -5.880 9.178 6.793
234 2HD LYS 35 2HD LYS 35 -5.219 7.621 7.304
235 1HE LYS 35 1HE LYS 35 -5.810 8.164 9.631
236 2HE LYS 35 2HE LYS 35 -6.518 9.683 9.082
237 1HZ LYS 35 1HZ LYS 35 -7.586 7.530 7.599
238 2HZ LYS 35 2HZ LYS 35 -7.755 7.211 9.252
239 3HZ LYS 35 3HZ LYS 35 -8.391 8.634 8.596
240 H VAL 36 H VAL 36 0.137 8.336 6.990
241 HA VAL 36 HA VAL 36 1.289 9.173 4.461
242 HB VAL 36 HB VAL 36 2.748 8.689 6.404
243 1HG1 VAL 36 1HG1 VAL 36 1.178 6.381 6.620
244 2HG1 VAL 36 2HG1 VAL 36 2.799 5.834 6.191
245 3HG1 VAL 36 3HG1 VAL 36 2.557 6.847 7.615
246 1HG2 VAL 36 1HG2 VAL 36 3.022 7.412 3.760
247 2HG2 VAL 36 2HG2 VAL 36 4.071 8.570 4.578
248 3HG2 VAL 36 3HG2 VAL 36 4.137 6.861 5.011
249 H GLU 37 H GLU 37 1.186 8.083 2.570
250 HA GLU 37 HA GLU 37 -0.109 5.435 2.595
251 1HB GLU 37 1HB GLU 37 -1.182 5.992 0.463
252 2HB GLU 37 2HB GLU 37 -1.669 7.099 1.739
253 1HG GLU 37 1HG GLU 37 -0.044 8.740 0.888
254 2HG GLU 37 2HG GLU 37 0.341 7.639 -0.432
255 H TYR 38 H TYR 38 0.964 3.854 1.634
256 HA TYR 38 HA TYR 38 3.376 4.533 0.104
257 1HB TYR 38 1HB TYR 38 2.580 2.068 1.632
258 2HB TYR 38 2HB TYR 38 3.934 2.079 0.506
259 HD1 TYR 38 HD1 TYR 38 6.010 2.369 1.441
260 HD2 TYR 38 HD2 TYR 38 2.658 4.202 3.313
261 HE1 TYR 38 HE1 TYR 38 7.486 3.255 3.196
262 HE2 TYR 38 HE2 TYR 38 4.121 5.092 5.074
263 HH TYR 38 HH TYR 38 7.596 4.353 5.127
264 H LEU 39 H LEU 39 3.417 4.281 -2.001
265 HA LEU 39 HA LEU 39 1.240 3.387 -3.510
266 1HB LEU 39 1HB LEU 39 3.092 4.865 -4.317
267 2HB LEU 39 2HB LEU 39 4.140 3.460 -4.361
268 HG LEU 39 HG LEU 39 2.881 2.472 -6.136
269 1HD1 LEU 39 1HD1 LEU 39 0.777 4.045 -5.079
270 2HD1 LEU 39 2HD1 LEU 39 0.976 4.455 -6.782
271 3HD1 LEU 39 3HD1 LEU 39 0.701 2.779 -6.304
272 1HD2 LEU 39 1HD2 LEU 39 3.310 5.418 -6.584
273 2HD2 LEU 39 2HD2 LEU 39 4.455 4.113 -6.892
274 3HD2 LEU 39 3HD2 LEU 39 2.996 4.254 -7.871
275 H LEU 40 H LEU 40 0.866 1.401 -4.619
276 HA LEU 40 HA LEU 40 2.658 -0.812 -3.973
277 1HB LEU 40 1HB LEU 40 -0.245 -0.696 -3.170
278 2HB LEU 40 2HB LEU 40 0.702 -2.173 -3.184
279 HG LEU 40 HG LEU 40 1.394 0.252 -1.526
280 1HD1 LEU 40 1HD1 LEU 40 -0.267 -2.149 -0.931
281 2HD1 LEU 40 2HD1 LEU 40 0.725 -1.424 0.335
282 3HD1 LEU 40 3HD1 LEU 40 -0.518 -0.464 -0.472
283 1HD2 LEU 40 1HD2 LEU 40 2.785 -2.149 -2.213
284 2HD2 LEU 40 2HD2 LEU 40 3.320 -0.775 -1.244
285 3HD2 LEU 40 3HD2 LEU 40 2.453 -2.111 -0.479
286 H LYS 41 H LYS 41 2.893 -2.186 -5.594
287 HA LYS 41 HA LYS 41 1.216 -1.897 -7.946
288 1HB LYS 41 1HB LYS 41 3.635 -2.084 -8.247
289 2HB LYS 41 2HB LYS 41 3.635 -3.639 -7.430
290 1HG LYS 41 1HG LYS 41 3.794 -3.951 -9.818
291 2HG LYS 41 2HG LYS 41 2.252 -4.574 -9.229
292 1HD LYS 41 1HD LYS 41 1.910 -3.350 -11.291
293 2HD LYS 41 2HD LYS 41 1.163 -2.479 -9.950
294 1HE LYS 41 1HE LYS 41 2.342 -0.944 -11.425
295 2HE LYS 41 2HE LYS 41 3.107 -0.995 -9.837
296 1HZ LYS 41 1HZ LYS 41 4.402 -2.923 -11.261
297 2HZ LYS 41 2HZ LYS 41 4.184 -1.686 -12.394
298 3HZ LYS 41 3HZ LYS 41 4.985 -1.369 -10.938
299 H TRP 42 H TRP 42 -0.715 -2.860 -7.746
300 HA TRP 42 HA TRP 42 -1.017 -5.318 -6.284
301 1HB TRP 42 1HB TRP 42 -3.071 -3.791 -7.895
302 2HB TRP 42 2HB TRP 42 -3.394 -5.041 -6.693
303 HD1 TRP 42 HD1 TRP 42 -2.890 -1.344 -7.011
304 HE1 TRP 42 HE1 TRP 42 -2.804 -0.262 -4.678
305 HE3 TRP 42 HE3 TRP 42 -2.553 -5.575 -4.162
306 HZ2 TRP 42 HZ2 TRP 42 -2.600 -1.099 -1.983
307 HZ3 TRP 42 HZ3 TRP 42 -2.418 -5.343 -1.717
308 HH2 TRP 42 HH2 TRP 42 -2.444 -3.145 -0.656
309 H LYS 43 H LYS 43 -1.103 -7.310 -7.025
310 HA LYS 43 HA LYS 43 -0.331 -7.940 -9.660
311 1HB LYS 43 1HB LYS 43 -1.583 -9.724 -7.566
312 2HB LYS 43 2HB LYS 43 -0.756 -10.276 -9.015
313 1HG LYS 43 1HG LYS 43 1.307 -9.156 -8.182
314 2HG LYS 43 2HG LYS 43 0.449 -8.811 -6.680
315 1HD LYS 43 1HD LYS 43 0.896 -11.571 -7.817
316 2HD LYS 43 2HD LYS 43 1.879 -10.833 -6.553
317 1HE LYS 43 1HE LYS 43 0.304 -12.272 -5.491
318 2HE LYS 43 2HE LYS 43 -0.202 -10.613 -5.181
319 1HZ LYS 43 1HZ LYS 43 -1.348 -11.867 -7.536
320 2HZ LYS 43 2HZ LYS 43 -1.843 -12.513 -6.053
321 3HZ LYS 43 3HZ LYS 43 -2.073 -10.869 -6.378
322 H GLY 44 H GLY 44 -1.455 -8.855 -11.368
323 1HA GLY 44 1HA GLY 44 -4.302 -9.287 -11.231
324 2HA GLY 44 2HA GLY 44 -3.286 -9.460 -12.654
325 H PHE 45 H PHE 45 -3.981 -6.712 -10.500
326 HA PHE 45 HA PHE 45 -5.546 -5.324 -12.422
327 1HB PHE 45 1HB PHE 45 -4.136 -4.315 -9.938
328 2HB PHE 45 2HB PHE 45 -5.283 -3.377 -10.887
329 HD1 PHE 45 HD1 PHE 45 -7.333 -3.173 -9.911
330 HD2 PHE 45 HD2 PHE 45 -5.193 -6.817 -9.414
331 HE1 PHE 45 HE1 PHE 45 -9.183 -4.072 -8.560
332 HE2 PHE 45 HE2 PHE 45 -7.039 -7.723 -8.065
333 HZ PHE 45 HZ PHE 45 -9.037 -6.351 -7.637
334 H SER 46 H SER 46 -4.992 -3.718 -13.848
335 HA SER 46 HA SER 46 -2.541 -3.750 -15.097
336 1HB SER 46 1HB SER 46 -4.473 -1.423 -14.922
337 2HB SER 46 2HB SER 46 -3.182 -1.587 -16.112
338 HG SER 46 HG SER 46 -4.429 -2.848 -17.224
339 H ASP 47 H ASP 47 -0.617 -2.711 -14.877
340 HA ASP 47 HA ASP 47 0.240 -1.884 -12.383
341 1HB ASP 47 1HB ASP 47 2.226 -0.950 -13.554
342 2HB ASP 47 2HB ASP 47 1.821 -2.584 -14.066
343 H GLU 48 H GLU 48 -1.001 0.077 -15.056
344 HA GLU 48 HA GLU 48 -0.430 2.607 -14.035
345 1HB GLU 48 1HB GLU 48 -2.579 1.554 -15.842
346 2HB GLU 48 2HB GLU 48 -2.612 3.229 -15.316
347 1HG GLU 48 1HG GLU 48 -1.572 3.016 -17.492
348 2HG GLU 48 2HG GLU 48 -0.417 3.596 -16.295
349 H ASP 49 H ASP 49 -2.965 0.334 -13.241
350 HA ASP 49 HA ASP 49 -4.560 2.165 -11.754
351 1HB ASP 49 1HB ASP 49 -4.508 -0.847 -11.892
352 2HB ASP 49 2HB ASP 49 -5.684 0.061 -10.951
353 H ASN 50 H ASN 50 -1.837 2.273 -10.841
354 HA ASN 50 HA ASN 50 -1.535 0.790 -8.435
355 1HB ASN 50 1HB ASN 50 -0.180 3.241 -9.533
356 2HB ASN 50 2HB ASN 50 0.169 2.664 -7.908
357 1HD2 ASN 50 1HD2 ASN 50 1.428 2.692 -10.817
358 2HD2 ASN 50 2HD2 ASN 50 2.205 1.148 -10.867
359 H THR 51 H THR 51 -1.944 1.366 -6.305
360 HA THR 51 HA THR 51 -3.348 3.895 -5.834
361 HB THR 51 HB THR 51 -4.436 1.188 -5.042
362 HG1 THR 51 HG1 THR 51 -5.707 3.155 -6.640
363 1HG2 THR 51 1HG2 THR 51 -5.073 3.950 -4.155
364 2HG2 THR 51 2HG2 THR 51 -6.420 2.844 -4.421
365 3HG2 THR 51 3HG2 THR 51 -5.155 2.429 -3.266
366 H TRP 52 H TRP 52 -2.593 4.881 -4.093
367 HA TRP 52 HA TRP 52 -0.764 3.553 -2.313
368 1HB TRP 52 1HB TRP 52 -1.845 6.365 -2.089
369 2HB TRP 52 2HB TRP 52 -0.385 5.717 -1.370
370 HD1 TRP 52 HD1 TRP 52 -1.670 6.004 -5.042
371 HE1 TRP 52 HE1 TRP 52 0.300 6.819 -6.484
372 HE3 TRP 52 HE3 TRP 52 1.892 6.362 -1.413
373 HZ2 TRP 52 HZ2 TRP 52 3.007 7.538 -6.123
374 HZ3 TRP 52 HZ3 TRP 52 4.138 7.117 -2.032
375 HH2 TRP 52 HH2 TRP 52 4.692 7.695 -4.341
376 H GLU 53 H GLU 53 -1.051 3.263 -0.072
377 HA GLU 53 HA GLU 53 -3.719 3.749 1.021
378 1HB GLU 53 1HB GLU 53 -2.373 1.045 0.961
379 2HB GLU 53 2HB GLU 53 -3.774 1.426 1.951
380 1HG GLU 53 1HG GLU 53 -3.678 1.563 -1.054
381 2HG GLU 53 2HG GLU 53 -4.369 0.245 -0.110
382 HA PRO 54 HA PRO 54 -1.560 5.088 4.632
383 1HB PRO 54 1HB PRO 54 -3.298 4.004 6.538
384 2HB PRO 54 2HB PRO 54 -3.431 5.603 5.802
385 1HG PRO 54 1HG PRO 54 -4.852 3.078 5.123
386 2HG PRO 54 2HG PRO 54 -5.438 4.750 5.068
387 1HD PRO 54 1HD PRO 54 -4.782 3.412 2.837
388 2HD PRO 54 2HD PRO 54 -4.465 5.152 3.007
389 H GLU 55 H GLU 55 0.141 4.251 5.664
390 HA GLU 55 HA GLU 55 0.896 1.598 5.442
391 1HB GLU 55 1HB GLU 55 2.758 2.129 6.763
392 2HB GLU 55 2HB GLU 55 2.326 3.657 6.012
393 1HG GLU 55 1HG GLU 55 1.276 4.417 8.029
394 2HG GLU 55 2HG GLU 55 1.521 2.846 8.792
395 H GLU 56 H GLU 56 -0.936 3.188 7.990
396 HA GLU 56 HA GLU 56 -0.754 1.320 10.020
397 1HB GLU 56 1HB GLU 56 -3.087 3.041 9.181
398 2HB GLU 56 2HB GLU 56 -3.095 2.068 10.643
399 1HG GLU 56 1HG GLU 56 -2.542 4.323 11.206
400 2HG GLU 56 2HG GLU 56 -1.120 3.311 11.441
401 H ASN 57 H ASN 57 -3.154 1.400 7.384
402 HA ASN 57 HA ASN 57 -4.367 -1.057 8.134
403 1HB ASN 57 1HB ASN 57 -4.465 0.485 5.537
404 2HB ASN 57 2HB ASN 57 -5.447 -0.935 5.879
405 1HD2 ASN 57 1HD2 ASN 57 -5.686 2.206 5.625
406 2HD2 ASN 57 2HD2 ASN 57 -6.856 2.572 6.838
407 H LEU 58 H LEU 58 -1.767 -0.213 5.916
408 HA LEU 58 HA LEU 58 -1.605 -2.495 4.387
409 1HB LEU 58 1HB LEU 58 0.778 -1.031 5.514
410 2HB LEU 58 2HB LEU 58 0.744 -2.024 4.071
411 HG LEU 58 HG LEU 58 -0.408 0.717 4.482
412 1HD1 LEU 58 1HD1 LEU 58 1.988 -0.066 3.542
413 2HD1 LEU 58 2HD1 LEU 58 1.051 -0.049 2.047
414 3HD1 LEU 58 3HD1 LEU 58 1.165 1.409 3.034
415 1HD2 LEU 58 1HD2 LEU 58 -1.619 -1.370 2.975
416 2HD2 LEU 58 2HD2 LEU 58 -2.097 0.321 3.111
417 3HD2 LEU 58 3HD2 LEU 58 -0.958 -0.175 1.860
418 H ASP 59 H ASP 59 -1.391 -4.554 4.846
419 HA ASP 59 HA ASP 59 -0.249 -5.347 7.429
420 1HB ASP 59 1HB ASP 59 -2.532 -6.166 6.811
421 2HB ASP 59 2HB ASP 59 -1.813 -7.026 5.454
422 H CYS 60 H CYS 60 1.628 -4.468 5.721
423 HA CYS 60 HA CYS 60 3.141 -6.886 5.163
424 1HB CYS 60 1HB CYS 60 3.730 -6.136 2.881
425 2HB CYS 60 2HB CYS 60 2.014 -6.490 3.047
426 HG CYS 60 HG CYS 60 1.928 -4.332 1.463
427 HA PRO 61 HA PRO 61 5.408 -3.149 7.058
428 1HB PRO 61 1HB PRO 61 6.400 -5.406 8.724
429 2HB PRO 61 2HB PRO 61 5.931 -3.771 9.206
430 1HG PRO 61 1HG PRO 61 4.343 -5.849 9.714
431 2HG PRO 61 2HG PRO 61 3.671 -4.281 9.227
432 1HD PRO 61 1HD PRO 61 4.006 -6.782 7.628
433 2HD PRO 61 2HD PRO 61 2.697 -5.585 7.591
434 H ASP 62 H ASP 62 6.323 -6.442 6.189
435 HA ASP 62 HA ASP 62 9.079 -6.148 6.010
436 1HB ASP 62 1HB ASP 62 7.883 -8.308 5.829
437 2HB ASP 62 2HB ASP 62 7.306 -7.839 4.234
438 H LEU 63 H LEU 63 6.582 -5.467 3.569
439 HA LEU 63 HA LEU 63 8.385 -4.777 1.504
440 1HB LEU 63 1HB LEU 63 5.494 -4.062 1.979
441 2HB LEU 63 2HB LEU 63 6.374 -3.576 0.542
442 HG LEU 63 HG LEU 63 6.758 -5.972 0.008
443 1HD1 LEU 63 1HD1 LEU 63 5.667 -6.308 2.657
444 2HD1 LEU 63 2HD1 LEU 63 4.764 -7.244 1.465
445 3HD1 LEU 63 3HD1 LEU 63 6.506 -7.468 1.627
446 1HD2 LEU 63 1HD2 LEU 63 4.789 -4.560 -0.783
447 2HD2 LEU 63 2HD2 LEU 63 4.652 -6.312 -0.936
448 3HD2 LEU 63 3HD2 LEU 63 3.827 -5.474 0.379
449 H ILE 64 H ILE 64 6.742 -2.923 4.012
450 HA ILE 64 HA ILE 64 7.428 -0.347 3.201
451 HB ILE 64 HB ILE 64 7.250 -1.345 6.050
452 1HG1 ILE 64 1HG1 ILE 64 5.232 -1.933 4.802
453 2HG1 ILE 64 2HG1 ILE 64 4.888 -0.645 5.951
454 1HG2 ILE 64 1HG2 ILE 64 8.051 1.120 5.130
455 2HG2 ILE 64 2HG2 ILE 64 6.342 1.360 5.489
456 3HG2 ILE 64 3HG2 ILE 64 7.431 0.766 6.743
457 1HD1 ILE 64 1HD1 ILE 64 5.020 0.987 4.123
458 2HD1 ILE 64 2HD1 ILE 64 5.298 -0.333 2.988
459 3HD1 ILE 64 3HD1 ILE 64 3.769 -0.227 3.859
460 H ALA 65 H ALA 65 9.179 -2.662 5.233
461 HA ALA 65 HA ALA 65 11.395 -1.016 5.797
462 1HB ALA 65 1HB ALA 65 12.518 -3.052 6.490
463 2HB ALA 65 2HB ALA 65 10.850 -3.058 7.065
464 3HB ALA 65 3HB ALA 65 11.304 -4.030 5.665
465 H GLU 66 H GLU 66 10.790 -3.415 3.258
466 HA GLU 66 HA GLU 66 13.256 -3.480 2.021
467 1HB GLU 66 1HB GLU 66 10.490 -3.631 0.809
468 2HB GLU 66 2HB GLU 66 11.962 -3.969 -0.091
469 1HG GLU 66 1HG GLU 66 12.485 -5.786 1.470
470 2HG GLU 66 2HG GLU 66 10.985 -5.455 2.336
471 H PHE 67 H PHE 67 10.649 -1.140 1.643
472 HA PHE 67 HA PHE 67 11.703 0.332 -0.487
473 1HB PHE 67 1HB PHE 67 9.418 0.604 0.223
474 2HB PHE 67 2HB PHE 67 9.926 1.153 1.814
475 HD1 PHE 67 HD1 PHE 67 10.707 2.103 -1.722
476 HD2 PHE 67 HD2 PHE 67 9.546 3.349 2.173
477 HE1 PHE 67 HE1 PHE 67 10.627 4.438 -2.497
478 HE2 PHE 67 HE2 PHE 67 9.466 5.676 1.420
479 HZ PHE 67 HZ PHE 67 10.007 6.234 -0.923
480 H LEU 68 H LEU 68 11.860 1.097 3.007
481 HA LEU 68 HA LEU 68 13.576 3.274 2.757
482 1HB LEU 68 1HB LEU 68 12.997 1.409 5.038
483 2HB LEU 68 2HB LEU 68 14.056 2.797 5.203
484 HG LEU 68 HG LEU 68 12.214 4.293 4.609
485 1HD1 LEU 68 1HD1 LEU 68 10.987 2.710 3.159
486 2HD1 LEU 68 2HD1 LEU 68 10.458 1.854 4.607
487 3HD1 LEU 68 3HD1 LEU 68 9.964 3.526 4.341
488 1HD2 LEU 68 1HD2 LEU 68 11.535 2.350 6.795
489 2HD2 LEU 68 2HD2 LEU 68 12.576 3.768 6.944
490 3HD2 LEU 68 3HD2 LEU 68 10.854 3.967 6.613
491 H GLN 69 H GLN 69 14.292 -0.140 2.730
492 HA GLN 69 HA GLN 69 16.915 -0.201 3.592
493 1HB GLN 69 1HB GLN 69 15.656 -1.708 1.290
494 2HB GLN 69 2HB GLN 69 17.243 -2.076 1.952
495 1HG GLN 69 1HG GLN 69 14.654 -2.188 3.480
496 2HG GLN 69 2HG GLN 69 15.498 -3.574 2.794
497 1HE2 GLN 69 1HE2 GLN 69 16.645 -4.670 4.203
498 2HE2 GLN 69 2HE2 GLN 69 17.417 -4.036 5.612
499 H SER 70 H SER 70 15.725 0.540 0.324
500 HA SER 70 HA SER 70 18.266 1.130 -0.783
501 1HB SER 70 1HB SER 70 16.956 2.284 -2.566
502 2HB SER 70 2HB SER 70 16.348 0.662 -2.228
503 HG SER 70 HG SER 70 14.514 1.536 -1.733
504 H GLN 71 H GLN 71 15.782 2.987 0.820
505 HA GLN 71 HA GLN 71 16.970 5.539 0.470
506 1HB GLN 71 1HB GLN 71 14.985 4.697 2.579
507 2HB GLN 71 2HB GLN 71 15.258 6.322 1.959
508 1HG GLN 71 1HG GLN 71 14.323 4.052 0.244
509 2HG GLN 71 2HG GLN 71 13.220 5.135 1.092
510 1HE2 GLN 71 1HE2 GLN 71 12.342 6.375 -0.390
511 2HE2 GLN 71 2HE2 GLN 71 13.185 7.255 -1.611
512 H LYS 72 H LYS 72 16.181 5.331 3.709
513 HA LYS 72 HA LYS 72 17.372 5.518 5.635
514 1HB LYS 72 1HB LYS 72 17.863 3.098 4.884
515 2HB LYS 72 2HB LYS 72 19.433 3.709 4.380
516 1HG LYS 72 1HG LYS 72 19.622 2.718 6.559
517 2HG LYS 72 2HG LYS 72 19.850 4.463 6.693
518 1HD LYS 72 1HD LYS 72 17.531 4.707 7.434
519 2HD LYS 72 2HD LYS 72 17.302 2.963 7.297
520 1HE LYS 72 1HE LYS 72 19.223 4.376 9.145
521 2HE LYS 72 2HE LYS 72 17.711 3.597 9.610
522 1HZ LYS 72 1HZ LYS 72 20.066 2.224 8.429
523 2HZ LYS 72 2HZ LYS 72 19.619 2.185 10.062
524 3HZ LYS 72 3HZ LYS 72 18.619 1.480 8.893
525 H THR 73 H THR 73 20.474 5.132 5.441
526 HA THR 73 HA THR 73 21.085 7.902 5.262
527 HB THR 73 HB THR 73 23.438 7.214 5.520
528 HG1 THR 73 HG1 THR 73 24.004 5.078 5.473
529 1HG2 THR 73 1HG2 THR 73 21.319 6.746 7.337
530 2HG2 THR 73 2HG2 THR 73 22.472 5.425 7.523
531 3HG2 THR 73 3HG2 THR 73 23.010 7.095 7.700
532 H ALA 74 H ALA 74 21.644 5.118 3.161
533 HA ALA 74 HA ALA 74 22.878 6.764 1.116
534 1HB ALA 74 1HB ALA 74 22.126 3.860 0.888
535 2HB ALA 74 2HB ALA 74 23.331 4.750 -0.042
536 3HB ALA 74 3HB ALA 74 23.611 4.410 1.665
537 H HIS 75 H HIS 75 20.382 7.730 1.568
538 HA HIS 75 HA HIS 75 18.355 6.577 -0.030
539 1HB HIS 75 1HB HIS 75 17.212 8.766 0.227
540 2HB HIS 75 2HB HIS 75 17.786 8.111 1.756
541 HD1 HIS 75 HD1 HIS 75 20.468 9.111 2.181
542 HD2 HIS 75 HD2 HIS 75 17.659 11.413 0.166
543 HE1 HIS 75 HE1 HIS 75 21.283 11.482 2.372
544 HE2 HIS 75 HE2 HIS 75 19.630 12.841 1.041
545 H GLU 76 H GLU 76 17.884 9.439 -1.248
546 HA GLU 76 HA GLU 76 19.718 9.142 -3.525
547 1HB GLU 76 1HB GLU 76 16.733 9.601 -3.710
548 2HB GLU 76 2HB GLU 76 17.849 9.593 -5.069
549 1HG GLU 76 1HG GLU 76 18.372 7.253 -4.637
550 2HG GLU 76 2HG GLU 76 17.273 7.258 -3.258
551 H THR 77 H THR 77 20.070 10.959 -1.460
552 HA THR 77 HA THR 77 20.381 13.163 -0.994
553 HB THR 77 HB THR 77 20.269 13.626 -3.975
554 HG1 THR 77 HG1 THR 77 22.385 12.535 -2.400
555 1HG2 THR 77 1HG2 THR 77 20.522 15.600 -2.499
556 2HG2 THR 77 2HG2 THR 77 21.969 14.868 -1.806
557 3HG2 THR 77 3HG2 THR 77 21.942 15.325 -3.509
558 H ASP 78 H ASP 78 19.148 14.923 -3.486
559 HA ASP 78 HA ASP 78 17.347 16.286 -3.705
560 1HB ASP 78 1HB ASP 78 15.883 13.857 -2.647
561 2HB ASP 78 2HB ASP 78 15.118 15.243 -3.418
562 H LYS 79 H LYS 79 18.788 16.800 -1.453
563 HA LYS 79 HA LYS 79 17.357 16.808 0.964
564 1HB LYS 79 1HB LYS 79 19.512 18.701 0.006
565 2HB LYS 79 2HB LYS 79 18.956 18.562 1.669
566 1HG LYS 79 1HG LYS 79 19.730 16.250 1.745
567 2HG LYS 79 2HG LYS 79 20.271 16.373 0.069
568 1HD LYS 79 1HD LYS 79 21.293 18.063 2.353
569 2HD LYS 79 2HD LYS 79 22.112 16.645 1.695
570 1HE LYS 79 1HE LYS 79 21.461 19.180 0.194
571 2HE LYS 79 2HE LYS 79 23.051 18.709 0.791
572 1HZ LYS 79 1HZ LYS 79 21.561 16.959 -1.060
573 2HZ LYS 79 2HZ LYS 79 22.475 18.257 -1.650
574 3HZ LYS 79 3HZ LYS 79 23.227 17.024 -0.768
575 H SER 80 H SER 80 15.895 18.173 1.847
576 HA SER 80 HA SER 80 14.288 19.767 0.208
577 1HB SER 80 1HB SER 80 13.459 18.823 2.300
578 2HB SER 80 2HB SER 80 14.582 19.825 3.221
579 HG SER 80 HG SER 80 12.202 20.489 2.719
580 H1 ALA 1 H1 ALA 1 7.381 -15.570 9.000
581 H2 ALA 1 H2 ALA 1 7.040 -13.912 8.959
582 H3 ALA 1 H3 ALA 1 7.376 -14.670 10.433
583 HA ALA 1 HA ALA 1 5.286 -15.232 10.739
584 1HB ALA 1 1HB ALA 1 4.765 -13.757 8.160
585 2HB ALA 1 2HB ALA 1 4.964 -13.003 9.742
586 3HB ALA 1 3HB ALA 1 3.597 -14.078 9.443
587 H ARG 2 H ARG 2 3.345 -15.520 8.357
588 HA ARG 2 HA ARG 2 4.164 -17.746 6.830
589 1HB ARG 2 1HB ARG 2 4.051 -18.825 9.083
590 2HB ARG 2 2HB ARG 2 2.342 -18.421 9.150
591 1HG ARG 2 1HG ARG 2 1.918 -19.823 7.207
592 2HG ARG 2 2HG ARG 2 3.637 -20.208 7.099
593 1HD ARG 2 1HD ARG 2 2.392 -22.001 8.196
594 2HD ARG 2 2HD ARG 2 3.552 -21.258 9.296
595 HE ARG 2 HE ARG 2 1.796 -20.773 10.651
596 1HH1 ARG 2 1HH1 ARG 2 0.600 -20.971 7.381
597 2HH1 ARG 2 2HH1 ARG 2 -1.040 -20.642 7.827
598 1HH2 ARG 2 1HH2 ARG 2 -0.362 -20.343 11.242
599 2HH2 ARG 2 2HH2 ARG 2 -1.587 -20.284 10.018
600 H THR 3 H THR 3 2.996 -15.467 6.078
601 HA THR 3 HA THR 3 0.581 -16.356 4.814
602 HB THR 3 HB THR 3 0.380 -14.050 6.767
603 HG1 THR 3 HG1 THR 3 -1.128 -15.447 7.811
604 1HG2 THR 3 1HG2 THR 3 -0.946 -14.234 4.420
605 2HG2 THR 3 2HG2 THR 3 -2.030 -15.148 5.468
606 3HG2 THR 3 3HG2 THR 3 -1.616 -13.482 5.868
607 H GLN 5 H GLN 5 2.569 -11.521 1.691
608 HA GLN 5 HA GLN 5 1.190 -9.815 3.427
609 1HB GLN 5 1HB GLN 5 2.983 -9.284 1.073
610 2HB GLN 5 2HB GLN 5 2.276 -7.976 2.008
611 1HG GLN 5 1HG GLN 5 4.486 -8.372 2.812
612 2HG GLN 5 2HG GLN 5 3.347 -8.915 4.038
613 1HE2 GLN 5 1HE2 GLN 5 6.094 -9.677 2.371
614 2HE2 GLN 5 2HE2 GLN 5 6.131 -11.383 2.650
615 H THR 6 H THR 6 -0.483 -8.442 3.210
616 HA THR 6 HA THR 6 -1.692 -7.967 0.610
617 HB THR 6 HB THR 6 -3.954 -8.628 1.413
618 HG1 THR 6 HG1 THR 6 -3.457 -8.624 3.670
619 1HG2 THR 6 1HG2 THR 6 -2.374 -10.130 0.056
620 2HG2 THR 6 2HG2 THR 6 -2.152 -11.022 1.561
621 3HG2 THR 6 3HG2 THR 6 -3.758 -10.886 0.847
622 H ALA 7 H ALA 7 -2.399 -5.935 0.501
623 HA ALA 7 HA ALA 7 -2.978 -4.531 3.025
624 1HB ALA 7 1HB ALA 7 -1.006 -3.550 2.199
625 2HB ALA 7 2HB ALA 7 -1.596 -3.550 0.537
626 3HB ALA 7 3HB ALA 7 -2.296 -2.445 1.722
627 H ARG 8 H ARG 8 -5.002 -3.862 3.246
628 HA ARG 8 HA ARG 8 -6.965 -4.291 1.266
629 1HB ARG 8 1HB ARG 8 -7.092 -2.715 3.837
630 2HB ARG 8 2HB ARG 8 -8.488 -3.113 2.845
631 1HG ARG 8 1HG ARG 8 -8.165 -5.460 3.231
632 2HG ARG 8 2HG ARG 8 -6.652 -5.150 4.088
633 1HD ARG 8 1HD ARG 8 -7.884 -3.914 5.805
634 2HD ARG 8 2HD ARG 8 -9.393 -4.228 4.949
635 HE ARG 8 HE ARG 8 -8.189 -6.685 5.447
636 1HH1 ARG 8 1HH1 ARG 8 -9.545 -4.033 7.254
637 2HH1 ARG 8 2HH1 ARG 8 -10.049 -5.026 8.580
638 1HH2 ARG 8 1HH2 ARG 8 -8.850 -8.001 7.187
639 2HH2 ARG 8 2HH2 ARG 8 -9.654 -7.282 8.542
640 H SER 10 H SER 10 -7.528 -0.122 1.752
641 HA SER 10 HA SER 10 -8.556 1.345 3.147
642 1HB SER 10 1HB SER 10 -7.973 3.000 1.410
643 2HB SER 10 2HB SER 10 -9.494 2.664 0.584
644 HG SER 10 HG SER 10 -9.172 4.481 2.335
645 H THR 11 H THR 11 -11.209 2.591 1.773
646 HA THR 11 HA THR 11 -13.024 1.082 3.272
647 HB THR 11 HB THR 11 -13.608 2.795 0.852
648 HG1 THR 11 HG1 THR 11 -14.040 4.386 2.523
649 1HG2 THR 11 1HG2 THR 11 -15.305 1.320 2.736
650 2HG2 THR 11 2HG2 THR 11 -15.747 3.015 2.533
651 3HG2 THR 11 3HG2 THR 11 -15.676 1.949 1.131
652 H GLY 12 H GLY 12 -14.353 -0.608 2.813
653 1HA GLY 12 1HA GLY 12 -15.111 -2.504 1.770
654 2HA GLY 12 2HA GLY 12 -13.586 -2.496 0.900
655 H GLY 13 H GLY 13 -16.087 -0.001 0.756
656 1HA GLY 13 1HA GLY 13 -17.582 -0.751 -1.388
657 2HA GLY 13 2HA GLY 13 -16.102 -0.154 -2.122
658 H LYS 14 H LYS 14 -16.851 1.666 -3.075
659 HA LYS 14 HA LYS 14 -18.667 3.478 -1.868
660 1HB LYS 14 1HB LYS 14 -16.704 3.950 -0.453
661 2HB LYS 14 2HB LYS 14 -15.763 4.320 -1.891
662 1HG LYS 14 1HG LYS 14 -17.267 6.190 -2.386
663 2HG LYS 14 2HG LYS 14 -18.184 5.827 -0.922
664 1HD LYS 14 1HD LYS 14 -16.658 7.635 -0.466
665 2HD LYS 14 2HD LYS 14 -16.123 6.198 0.406
666 1HE LYS 14 1HE LYS 14 -14.230 7.332 -0.612
667 2HE LYS 14 2HE LYS 14 -14.476 5.752 -1.353
668 1HZ LYS 14 1HZ LYS 14 -15.962 7.601 -2.812
669 2HZ LYS 14 2HZ LYS 14 -14.427 8.276 -2.587
670 3HZ LYS 14 3HZ LYS 14 -14.584 6.753 -3.307
671 H ALA 15 H ALA 15 -16.078 2.941 -4.180
672 HA ALA 15 HA ALA 15 -15.882 3.389 -6.396
673 1HB ALA 15 1HB ALA 15 -18.191 2.544 -6.532
674 2HB ALA 15 2HB ALA 15 -18.788 4.184 -6.274
675 3HB ALA 15 3HB ALA 15 -17.860 3.800 -7.724
676 HA PRO 16 HA PRO 16 -14.702 7.654 -6.334
677 1HB PRO 16 1HB PRO 16 -14.103 7.935 -8.990
678 2HB PRO 16 2HB PRO 16 -13.033 7.158 -7.818
679 1HG PRO 16 1HG PRO 16 -14.938 5.913 -9.762
680 2HG PRO 16 2HG PRO 16 -13.283 5.425 -9.347
681 1HD PRO 16 1HD PRO 16 -15.425 4.158 -8.333
682 2HD PRO 16 2HD PRO 16 -13.945 4.397 -7.380
683 H GLY 17 H GLY 17 -16.794 6.604 -9.023
684 1HA GLY 17 1HA GLY 17 -18.691 8.690 -8.443
685 2HA GLY 17 2HA GLY 17 -18.805 7.505 -9.734
686 H GLY 18 H GLY 18 -16.210 9.848 -9.106
687 1HA GLY 18 1HA GLY 18 -15.994 10.608 -11.808
688 2HA GLY 18 2HA GLY 18 -15.302 11.474 -10.445
No H/Q in entry = 688
Start of MODEL 20
1 H1 HIS 8 H1 HIS 8 -30.133 -14.204 13.422
2 H2 HIS 8 H2 HIS 8 -31.099 -15.570 13.176
3 H3 HIS 8 H3 HIS 8 -31.149 -14.756 14.658
4 HA HIS 8 HA HIS 8 -29.258 -15.669 15.423
5 1HB HIS 8 1HB HIS 8 -30.105 -17.610 13.258
6 2HB HIS 8 2HB HIS 8 -29.086 -18.015 14.635
7 HD1 HIS 8 HD1 HIS 8 -32.496 -16.345 14.252
8 HD2 HIS 8 HD2 HIS 8 -30.563 -19.239 16.522
9 HE1 HIS 8 HE1 HIS 8 -34.227 -17.204 15.861
10 HE2 HIS 8 HE2 HIS 8 -33.053 -19.004 17.178
11 H MET 9 H MET 9 -28.420 -13.723 13.640
12 HA MET 9 HA MET 9 -25.782 -14.541 13.085
13 1HB MET 9 1HB MET 9 -25.807 -14.375 10.623
14 2HB MET 9 2HB MET 9 -26.768 -15.727 11.205
15 1HG MET 9 1HG MET 9 -28.805 -14.401 10.899
16 2HG MET 9 2HG MET 9 -27.832 -13.065 10.288
17 1HE MET 9 1HE MET 9 -25.710 -14.161 8.803
18 2HE MET 9 2HE MET 9 -26.082 -14.992 7.293
19 3HE MET 9 3HE MET 9 -26.588 -13.319 7.526
20 H VAL 10 H VAL 10 -27.153 -12.407 14.392
21 HA VAL 10 HA VAL 10 -26.995 -10.037 12.792
22 HB VAL 10 HB VAL 10 -27.141 -10.304 15.799
23 1HG1 VAL 10 1HG1 VAL 10 -26.321 -8.104 14.875
24 2HG1 VAL 10 2HG1 VAL 10 -27.903 -7.929 14.115
25 3HG1 VAL 10 3HG1 VAL 10 -27.775 -8.020 15.871
26 1HG2 VAL 10 1HG2 VAL 10 -29.013 -11.322 14.381
27 2HG2 VAL 10 2HG2 VAL 10 -29.472 -10.182 15.644
28 3HG2 VAL 10 3HG2 VAL 10 -29.423 -9.659 13.960
29 H GLU 11 H GLU 11 -25.346 -8.633 12.549
30 HA GLU 11 HA GLU 11 -22.709 -9.419 13.074
31 1HB GLU 11 1HB GLU 11 -23.330 -7.844 11.290
32 2HB GLU 11 2HB GLU 11 -23.773 -6.647 12.497
33 1HG GLU 11 1HG GLU 11 -21.599 -6.155 11.562
34 2HG GLU 11 2HG GLU 11 -21.460 -6.563 13.271
35 H GLU 12 H GLU 12 -21.372 -9.142 14.763
36 HA GLU 12 HA GLU 12 -22.372 -8.359 17.278
37 1HB GLU 12 1HB GLU 12 -19.514 -8.719 16.360
38 2HB GLU 12 2HB GLU 12 -20.018 -8.555 18.037
39 1HG GLU 12 1HG GLU 12 -21.334 -10.604 17.843
40 2HG GLU 12 2HG GLU 12 -20.826 -10.768 16.163
41 H VAL 13 H VAL 13 -20.250 -6.716 14.962
42 HA VAL 13 HA VAL 13 -21.006 -4.155 16.133
43 HB VAL 13 HB VAL 13 -18.662 -3.354 16.179
44 1HG1 VAL 13 1HG1 VAL 13 -20.000 -4.727 18.101
45 2HG1 VAL 13 2HG1 VAL 13 -18.497 -5.646 18.002
46 3HG1 VAL 13 3HG1 VAL 13 -18.452 -3.916 18.343
47 1HG2 VAL 13 1HG2 VAL 13 -18.146 -6.157 15.325
48 2HG2 VAL 13 2HG2 VAL 13 -17.363 -4.659 14.821
49 3HG2 VAL 13 3HG2 VAL 13 -16.977 -5.372 16.387
50 H LEU 14 H LEU 14 -21.303 -2.630 14.622
51 HA LEU 14 HA LEU 14 -21.037 -3.304 11.860
52 1HB LEU 14 1HB LEU 14 -21.718 -0.657 13.146
53 2HB LEU 14 2HB LEU 14 -21.917 -1.045 11.448
54 HG LEU 14 HG LEU 14 -23.401 -2.351 13.732
55 1HD1 LEU 14 1HD1 LEU 14 -23.954 -0.039 11.990
56 2HD1 LEU 14 2HD1 LEU 14 -25.280 -1.183 12.201
57 3HD1 LEU 14 3HD1 LEU 14 -24.547 -0.414 13.609
58 1HD2 LEU 14 1HD2 LEU 14 -23.181 -2.953 10.840
59 2HD2 LEU 14 2HD2 LEU 14 -23.477 -4.029 12.207
60 3HD2 LEU 14 3HD2 LEU 14 -24.788 -3.042 11.562
61 H GLU 15 H GLU 15 -19.505 -2.748 10.417
62 HA GLU 15 HA GLU 15 -17.750 -0.559 10.649
63 1HB GLU 15 1HB GLU 15 -16.931 -2.208 12.476
64 2HB GLU 15 2HB GLU 15 -16.326 -3.166 11.134
65 1HG GLU 15 1HG GLU 15 -15.587 -0.289 11.583
66 2HG GLU 15 2HG GLU 15 -14.661 -1.647 12.216
67 H GLU 16 H GLU 16 -16.924 -0.134 8.675
68 HA GLU 16 HA GLU 16 -17.761 -1.522 6.424
69 1HB GLU 16 1HB GLU 16 -15.381 0.322 6.688
70 2HB GLU 16 2HB GLU 16 -16.144 -0.143 5.175
71 1HG GLU 16 1HG GLU 16 -18.213 0.940 5.876
72 2HG GLU 16 2HG GLU 16 -17.462 1.392 7.405
73 H GLU 17 H GLU 17 -14.407 -1.396 7.651
74 HA GLU 17 HA GLU 17 -12.678 -2.865 7.531
75 1HB GLU 17 1HB GLU 17 -14.231 -4.427 8.610
76 2HB GLU 17 2HB GLU 17 -14.858 -4.901 7.037
77 1HG GLU 17 1HG GLU 17 -12.671 -5.795 6.428
78 2HG GLU 17 2HG GLU 17 -12.035 -5.313 8.001
79 H GLU 18 H GLU 18 -11.230 -3.106 5.960
80 HA GLU 18 HA GLU 18 -12.085 -2.970 3.215
81 1HB GLU 18 1HB GLU 18 -9.345 -3.099 4.423
82 2HB GLU 18 2HB GLU 18 -9.656 -2.887 2.713
83 1HG GLU 18 1HG GLU 18 -9.230 -0.740 3.492
84 2HG GLU 18 2HG GLU 18 -10.987 -0.821 3.392
85 H GLU 19 H GLU 19 -9.604 -4.522 2.392
86 HA GLU 19 HA GLU 19 -10.148 -7.241 3.130
87 1HB GLU 19 1HB GLU 19 -11.953 -6.863 1.537
88 2HB GLU 19 2HB GLU 19 -10.801 -6.259 0.355
89 1HG GLU 19 1HG GLU 19 -9.762 -8.460 0.229
90 2HG GLU 19 2HG GLU 19 -10.890 -9.068 1.440
91 H GLU 20 H GLU 20 -8.366 -8.477 2.846
92 HA GLU 20 HA GLU 20 -5.941 -7.244 2.046
93 1HB GLU 20 1HB GLU 20 -6.462 -10.188 2.467
94 2HB GLU 20 2HB GLU 20 -4.899 -9.386 2.488
95 1HG GLU 20 1HG GLU 20 -5.541 -8.143 4.474
96 2HG GLU 20 2HG GLU 20 -7.130 -8.905 4.449
97 H TYR 21 H TYR 21 -4.875 -7.243 0.184
98 HA TYR 21 HA TYR 21 -5.800 -8.981 -2.005
99 1HB TYR 21 1HB TYR 21 -5.424 -6.009 -1.974
100 2HB TYR 21 2HB TYR 21 -5.084 -6.893 -3.459
101 HD1 TYR 21 HD1 TYR 21 -6.780 -6.568 -4.971
102 HD2 TYR 21 HD2 TYR 21 -7.799 -7.168 -0.884
103 HE1 TYR 21 HE1 TYR 21 -9.164 -6.499 -5.562
104 HE2 TYR 21 HE2 TYR 21 -10.187 -7.104 -1.466
105 HH TYR 21 HH TYR 21 -11.502 -7.651 -3.921
106 H VAL 22 H VAL 22 -4.178 -10.063 -3.013
107 HA VAL 22 HA VAL 22 -1.592 -10.130 -2.032
108 HB VAL 22 HB VAL 22 -2.440 -10.801 -4.855
109 1HG1 VAL 22 1HG1 VAL 22 0.086 -11.051 -3.396
110 2HG1 VAL 22 2HG1 VAL 22 -0.449 -12.537 -4.180
111 3HG1 VAL 22 3HG1 VAL 22 -0.231 -11.068 -5.130
112 1HG2 VAL 22 1HG2 VAL 22 -2.925 -12.096 -2.283
113 2HG2 VAL 22 2HG2 VAL 22 -3.718 -12.333 -3.841
114 3HG2 VAL 22 3HG2 VAL 22 -2.201 -13.161 -3.487
115 H VAL 23 H VAL 23 -0.043 -8.648 -2.044
116 HA VAL 23 HA VAL 23 0.117 -6.801 -4.332
117 HB VAL 23 HB VAL 23 -0.583 -5.576 -2.373
118 1HG1 VAL 23 1HG1 VAL 23 0.622 -7.334 -0.837
119 2HG1 VAL 23 2HG1 VAL 23 1.931 -6.152 -0.900
120 3HG1 VAL 23 3HG1 VAL 23 0.342 -5.678 -0.296
121 1HG2 VAL 23 1HG2 VAL 23 1.546 -4.917 -3.963
122 2HG2 VAL 23 2HG2 VAL 23 0.733 -3.826 -2.840
123 3HG2 VAL 23 3HG2 VAL 23 2.196 -4.676 -2.342
124 H GLU 24 H GLU 24 2.014 -6.571 -5.340
125 HA GLU 24 HA GLU 24 4.064 -8.486 -4.898
126 1HB GLU 24 1HB GLU 24 3.427 -7.553 -7.122
127 2HB GLU 24 2HB GLU 24 4.171 -6.032 -6.647
128 1HG GLU 24 1HG GLU 24 5.755 -7.180 -7.964
129 2HG GLU 24 2HG GLU 24 6.298 -7.299 -6.290
130 H LYS 25 H LYS 25 4.094 -4.916 -4.644
131 HA LYS 25 HA LYS 25 5.669 -4.864 -2.306
132 1HB LYS 25 1HB LYS 25 7.386 -5.751 -3.857
133 2HB LYS 25 2HB LYS 25 7.177 -4.324 -4.864
134 1HG LYS 25 1HG LYS 25 7.958 -2.912 -3.029
135 2HG LYS 25 2HG LYS 25 8.164 -4.343 -2.017
136 1HD LYS 25 1HD LYS 25 9.606 -3.805 -4.615
137 2HD LYS 25 2HD LYS 25 10.289 -3.599 -3.002
138 1HE LYS 25 1HE LYS 25 9.308 -6.188 -4.200
139 2HE LYS 25 2HE LYS 25 10.993 -5.714 -3.997
140 1HZ LYS 25 1HZ LYS 25 10.350 -5.499 -1.531
141 2HZ LYS 25 2HZ LYS 25 9.022 -6.466 -1.939
142 3HZ LYS 25 3HZ LYS 25 10.594 -7.045 -2.170
143 H VAL 26 H VAL 26 6.078 -2.739 -1.563
144 HA VAL 26 HA VAL 26 4.301 -0.766 -2.584
145 HB VAL 26 HB VAL 26 4.824 0.530 -0.760
146 1HG1 VAL 26 1HG1 VAL 26 4.651 -2.167 -0.273
147 2HG1 VAL 26 2HG1 VAL 26 6.035 -1.661 0.695
148 3HG1 VAL 26 3HG1 VAL 26 4.471 -0.877 0.916
149 1HG2 VAL 26 1HG2 VAL 26 7.615 -0.555 -0.894
150 2HG2 VAL 26 2HG2 VAL 26 7.065 1.084 -1.255
151 3HG2 VAL 26 3HG2 VAL 26 7.020 0.480 0.403
152 H LEU 27 H LEU 27 4.683 0.980 -3.885
153 HA LEU 27 HA LEU 27 7.243 0.970 -5.259
154 1HB LEU 27 1HB LEU 27 4.682 2.418 -5.893
155 2HB LEU 27 2HB LEU 27 6.138 2.502 -6.864
156 HG LEU 27 HG LEU 27 4.516 0.007 -6.349
157 1HD1 LEU 27 1HD1 LEU 27 4.027 2.110 -8.109
158 2HD1 LEU 27 2HD1 LEU 27 4.766 0.845 -9.092
159 3HD1 LEU 27 3HD1 LEU 27 3.317 0.497 -8.150
160 1HD2 LEU 27 1HD2 LEU 27 7.051 0.514 -7.882
161 2HD2 LEU 27 2HD2 LEU 27 6.742 -0.693 -6.634
162 3HD2 LEU 27 3HD2 LEU 27 6.002 -0.862 -8.225
163 H ASP 28 H ASP 28 5.157 3.288 -3.497
164 HA ASP 28 HA ASP 28 7.580 4.735 -2.765
165 1HB ASP 28 1HB ASP 28 6.655 5.643 -4.996
166 2HB ASP 28 2HB ASP 28 5.350 6.314 -4.026
167 H ARG 29 H ARG 29 6.292 7.072 -1.819
168 HA ARG 29 HA ARG 29 4.091 6.480 -0.120
169 1HB ARG 29 1HB ARG 29 5.227 6.529 2.023
170 2HB ARG 29 2HB ARG 29 5.878 5.214 1.055
171 1HG ARG 29 1HG ARG 29 7.823 6.558 0.497
172 2HG ARG 29 2HG ARG 29 7.165 7.915 1.414
173 1HD ARG 29 1HD ARG 29 7.201 6.478 3.444
174 2HD ARG 29 2HD ARG 29 8.004 5.229 2.495
175 HE ARG 29 HE ARG 29 9.952 6.351 2.834
176 1HH1 ARG 29 1HH1 ARG 29 7.331 8.634 3.105
177 2HH1 ARG 29 2HH1 ARG 29 8.364 9.968 3.497
178 1HH2 ARG 29 1HH2 ARG 29 11.316 8.101 3.356
179 2HH2 ARG 29 2HH2 ARG 29 10.629 9.665 3.641
180 H ARG 30 H ARG 30 3.160 8.374 0.552
181 HA ARG 30 HA ARG 30 4.741 10.759 0.873
182 1HB ARG 30 1HB ARG 30 3.619 12.098 -0.814
183 2HB ARG 30 2HB ARG 30 4.438 10.735 -1.556
184 1HG ARG 30 1HG ARG 30 2.254 9.547 -1.638
185 2HG ARG 30 2HG ARG 30 1.486 11.028 -1.060
186 1HD ARG 30 1HD ARG 30 2.445 12.224 -3.013
187 2HD ARG 30 2HD ARG 30 3.064 10.686 -3.608
188 HE ARG 30 HE ARG 30 0.992 10.258 -4.436
189 1HH1 ARG 30 1HH1 ARG 30 0.663 12.574 -1.851
190 2HH1 ARG 30 2HH1 ARG 30 -1.040 12.783 -2.086
191 1HH2 ARG 30 1HH2 ARG 30 -1.247 10.532 -4.751
192 2HH2 ARG 30 2HH2 ARG 30 -2.126 11.623 -3.732
193 H VAL 31 H VAL 31 3.868 12.141 2.278
194 HA VAL 31 HA VAL 31 1.477 11.390 3.663
195 HB VAL 31 HB VAL 31 3.144 13.894 3.961
196 1HG1 VAL 31 1HG1 VAL 31 0.867 12.745 5.506
197 2HG1 VAL 31 2HG1 VAL 31 2.124 13.642 6.357
198 3HG1 VAL 31 3HG1 VAL 31 1.201 14.420 5.071
199 1HG2 VAL 31 1HG2 VAL 31 4.458 11.857 4.306
200 2HG2 VAL 31 2HG2 VAL 31 4.230 12.742 5.815
201 3HG2 VAL 31 3HG2 VAL 31 3.275 11.295 5.487
202 H VAL 32 H VAL 32 -0.477 12.532 3.815
203 HA VAL 32 HA VAL 32 -0.896 14.617 1.772
204 HB VAL 32 HB VAL 32 -3.170 13.738 1.385
205 1HG1 VAL 32 1HG1 VAL 32 -0.688 12.425 0.635
206 2HG1 VAL 32 2HG1 VAL 32 -2.083 11.353 0.531
207 3HG1 VAL 32 3HG1 VAL 32 -2.075 12.875 -0.356
208 1HG2 VAL 32 1HG2 VAL 32 -2.936 12.428 3.711
209 2HG2 VAL 32 2HG2 VAL 32 -4.062 11.945 2.443
210 3HG2 VAL 32 3HG2 VAL 32 -2.509 11.125 2.602
211 H LYS 33 H LYS 33 -1.746 13.276 4.876
212 HA LYS 33 HA LYS 33 -2.395 15.843 5.944
213 1HB LYS 33 1HB LYS 33 -4.718 15.288 6.612
214 2HB LYS 33 2HB LYS 33 -4.529 15.425 4.869
215 1HG LYS 33 1HG LYS 33 -4.488 13.007 4.659
216 2HG LYS 33 2HG LYS 33 -4.605 12.838 6.411
217 1HD LYS 33 1HD LYS 33 -6.673 14.152 4.647
218 2HD LYS 33 2HD LYS 33 -6.772 12.507 5.277
219 1HE LYS 33 1HE LYS 33 -6.747 13.386 7.563
220 2HE LYS 33 2HE LYS 33 -6.649 15.028 6.930
221 1HZ LYS 33 1HZ LYS 33 -8.880 13.185 6.290
222 2HZ LYS 33 2HZ LYS 33 -8.921 14.261 7.594
223 3HZ LYS 33 3HZ LYS 33 -8.803 14.852 6.013
224 H GLY 34 H GLY 34 -0.427 14.243 6.695
225 1HA GLY 34 1HA GLY 34 -1.270 13.368 9.355
226 2HA GLY 34 2HA GLY 34 0.384 13.662 8.834
227 H LYS 35 H LYS 35 -1.915 11.767 7.001
228 HA LYS 35 HA LYS 35 -0.841 9.253 7.950
229 1HB LYS 35 1HB LYS 35 -3.036 10.018 6.057
230 2HB LYS 35 2HB LYS 35 -2.444 8.364 6.130
231 1HG LYS 35 1HG LYS 35 -2.959 8.306 8.529
232 2HG LYS 35 2HG LYS 35 -3.607 9.943 8.409
233 1HD LYS 35 1HD LYS 35 -5.342 9.212 6.928
234 2HD LYS 35 2HD LYS 35 -4.628 7.602 6.810
235 1HE LYS 35 1HE LYS 35 -5.660 8.835 9.353
236 2HE LYS 35 2HE LYS 35 -6.582 7.725 8.340
237 1HZ LYS 35 1HZ LYS 35 -3.929 6.866 9.207
238 2HZ LYS 35 2HZ LYS 35 -5.145 6.906 10.383
239 3HZ LYS 35 3HZ LYS 35 -5.343 5.959 8.994
240 H VAL 36 H VAL 36 0.336 7.797 6.747
241 HA VAL 36 HA VAL 36 1.667 8.958 4.389
242 HB VAL 36 HB VAL 36 2.737 6.557 5.808
243 1HG1 VAL 36 1HG1 VAL 36 3.701 7.433 3.678
244 2HG1 VAL 36 2HG1 VAL 36 4.153 8.897 4.552
245 3HG1 VAL 36 3HG1 VAL 36 4.842 7.342 5.020
246 1HG2 VAL 36 1HG2 VAL 36 2.444 9.222 6.979
247 2HG2 VAL 36 2HG2 VAL 36 2.788 7.670 7.748
248 3HG2 VAL 36 3HG2 VAL 36 4.094 8.598 7.009
249 H GLU 37 H GLU 37 0.647 8.275 2.592
250 HA GLU 37 HA GLU 37 -0.391 5.561 2.429
251 1HB GLU 37 1HB GLU 37 -1.293 6.288 0.244
252 2HB GLU 37 2HB GLU 37 -1.805 7.323 1.569
253 1HG GLU 37 1HG GLU 37 -0.038 8.926 0.941
254 2HG GLU 37 2HG GLU 37 0.347 7.912 -0.447
255 H TYR 38 H TYR 38 0.598 3.929 1.438
256 HA TYR 38 HA TYR 38 3.081 4.511 -0.014
257 1HB TYR 38 1HB TYR 38 2.198 2.126 1.577
258 2HB TYR 38 2HB TYR 38 3.515 2.010 0.414
259 HD1 TYR 38 HD1 TYR 38 5.569 2.003 1.439
260 HD2 TYR 38 HD2 TYR 38 2.520 4.520 3.003
261 HE1 TYR 38 HE1 TYR 38 7.146 2.860 3.119
262 HE2 TYR 38 HE2 TYR 38 4.085 5.385 4.682
263 HH TYR 38 HH TYR 38 6.302 4.377 5.824
264 H LEU 39 H LEU 39 3.330 4.028 -2.056
265 HA LEU 39 HA LEU 39 1.148 3.251 -3.671
266 1HB LEU 39 1HB LEU 39 3.226 4.636 -4.278
267 2HB LEU 39 2HB LEU 39 4.054 3.101 -4.457
268 HG LEU 39 HG LEU 39 2.688 2.474 -6.303
269 1HD1 LEU 39 1HD1 LEU 39 0.837 4.245 -5.057
270 2HD1 LEU 39 2HD1 LEU 39 1.023 4.673 -6.759
271 3HD1 LEU 39 3HD1 LEU 39 0.554 3.033 -6.307
272 1HD2 LEU 39 1HD2 LEU 39 3.694 5.288 -6.340
273 2HD2 LEU 39 2HD2 LEU 39 4.333 3.860 -7.156
274 3HD2 LEU 39 3HD2 LEU 39 2.861 4.629 -7.750
275 H LEU 40 H LEU 40 0.694 1.236 -4.661
276 HA LEU 40 HA LEU 40 2.437 -1.020 -4.030
277 1HB LEU 40 1HB LEU 40 -0.437 -0.865 -3.123
278 2HB LEU 40 2HB LEU 40 0.551 -2.311 -3.065
279 HG LEU 40 HG LEU 40 1.263 0.221 -1.591
280 1HD1 LEU 40 1HD1 LEU 40 -0.369 -2.138 -0.722
281 2HD1 LEU 40 2HD1 LEU 40 0.513 -1.123 0.420
282 3HD1 LEU 40 3HD1 LEU 40 -0.755 -0.422 -0.588
283 1HD2 LEU 40 1HD2 LEU 40 2.749 -2.013 -2.190
284 2HD2 LEU 40 2HD2 LEU 40 3.071 -0.851 -0.901
285 3HD2 LEU 40 3HD2 LEU 40 2.164 -2.327 -0.555
286 H LYS 41 H LYS 41 2.441 -2.565 -5.555
287 HA LYS 41 HA LYS 41 0.626 -2.245 -7.825
288 1HB LYS 41 1HB LYS 41 3.044 -2.477 -8.264
289 2HB LYS 41 2HB LYS 41 3.032 -4.051 -7.480
290 1HG LYS 41 1HG LYS 41 1.582 -4.938 -9.197
291 2HG LYS 41 2HG LYS 41 1.467 -3.350 -9.957
292 1HD LYS 41 1HD LYS 41 4.017 -4.925 -9.615
293 2HD LYS 41 2HD LYS 41 3.064 -4.858 -11.097
294 1HE LYS 41 1HE LYS 41 3.412 -2.431 -11.195
295 2HE LYS 41 2HE LYS 41 4.379 -2.515 -9.722
296 1HZ LYS 41 1HZ LYS 41 5.847 -4.102 -10.985
297 2HZ LYS 41 2HZ LYS 41 5.019 -3.642 -12.385
298 3HZ LYS 41 3HZ LYS 41 5.890 -2.492 -11.503
299 H TRP 42 H TRP 42 -0.857 -3.814 -8.470
300 HA TRP 42 HA TRP 42 -1.135 -6.120 -6.654
301 1HB TRP 42 1HB TRP 42 -3.489 -4.677 -7.868
302 2HB TRP 42 2HB TRP 42 -3.484 -5.839 -6.541
303 HD1 TRP 42 HD1 TRP 42 -2.753 -2.169 -7.314
304 HE1 TRP 42 HE1 TRP 42 -2.575 -0.869 -5.099
305 HE3 TRP 42 HE3 TRP 42 -2.930 -6.096 -4.037
306 HZ2 TRP 42 HZ2 TRP 42 -2.503 -1.435 -2.339
307 HZ3 TRP 42 HZ3 TRP 42 -2.795 -5.623 -1.628
308 HH2 TRP 42 HH2 TRP 42 -2.582 -3.336 -0.796
309 H LYS 43 H LYS 43 -1.524 -8.058 -7.527
310 HA LYS 43 HA LYS 43 -0.964 -8.559 -10.220
311 1HB LYS 43 1HB LYS 43 -1.647 -10.861 -9.757
312 2HB LYS 43 2HB LYS 43 -0.649 -10.228 -8.455
313 1HG LYS 43 1HG LYS 43 -2.619 -9.849 -7.094
314 2HG LYS 43 2HG LYS 43 -3.655 -10.406 -8.407
315 1HD LYS 43 1HD LYS 43 -1.531 -12.105 -7.108
316 2HD LYS 43 2HD LYS 43 -3.220 -12.098 -6.607
317 1HE LYS 43 1HE LYS 43 -2.877 -13.958 -8.076
318 2HE LYS 43 2HE LYS 43 -3.847 -12.755 -8.923
319 1HZ LYS 43 1HZ LYS 43 -0.922 -12.792 -9.256
320 2HZ LYS 43 2HZ LYS 43 -1.884 -13.872 -10.132
321 3HZ LYS 43 3HZ LYS 43 -2.108 -12.205 -10.310
322 H GLY 44 H GLY 44 -2.234 -9.194 -11.958
323 1HA GLY 44 1HA GLY 44 -5.107 -9.273 -11.773
324 2HA GLY 44 2HA GLY 44 -4.148 -9.453 -13.234
325 H PHE 45 H PHE 45 -4.551 -6.833 -10.849
326 HA PHE 45 HA PHE 45 -5.939 -5.133 -12.644
327 1HB PHE 45 1HB PHE 45 -4.486 -4.551 -10.058
328 2HB PHE 45 2HB PHE 45 -5.423 -3.351 -10.940
329 HD1 PHE 45 HD1 PHE 45 -7.330 -2.876 -9.765
330 HD2 PHE 45 HD2 PHE 45 -6.085 -6.933 -10.094
331 HE1 PHE 45 HE1 PHE 45 -9.368 -3.594 -8.587
332 HE2 PHE 45 HE2 PHE 45 -8.122 -7.657 -8.919
333 HZ PHE 45 HZ PHE 45 -9.766 -5.986 -8.163
334 H SER 46 H SER 46 -5.240 -3.463 -13.908
335 HA SER 46 HA SER 46 -2.809 -3.615 -15.193
336 1HB SER 46 1HB SER 46 -4.718 -2.349 -16.078
337 2HB SER 46 2HB SER 46 -4.518 -1.145 -14.805
338 HG SER 46 HG SER 46 -2.190 -1.516 -16.093
339 H ASP 47 H ASP 47 -0.827 -2.620 -15.007
340 HA ASP 47 HA ASP 47 0.227 -2.158 -12.493
341 1HB ASP 47 1HB ASP 47 1.573 -2.625 -14.519
342 2HB ASP 47 2HB ASP 47 1.218 -1.006 -15.112
343 H GLU 48 H GLU 48 -0.946 0.214 -14.857
344 HA GLU 48 HA GLU 48 -0.293 2.529 -13.457
345 1HB GLU 48 1HB GLU 48 -2.571 1.995 -15.364
346 2HB GLU 48 2HB GLU 48 -2.103 3.592 -14.805
347 1HG GLU 48 1HG GLU 48 -1.180 3.239 -16.976
348 2HG GLU 48 2HG GLU 48 0.133 3.240 -15.801
349 H ASP 49 H ASP 49 -2.854 0.247 -12.952
350 HA ASP 49 HA ASP 49 -4.564 1.956 -11.454
351 1HB ASP 49 1HB ASP 49 -4.409 -1.056 -11.593
352 2HB ASP 49 2HB ASP 49 -5.706 -0.150 -10.830
353 H ASN 50 H ASN 50 -1.834 2.042 -10.461
354 HA ASN 50 HA ASN 50 -1.697 0.535 -8.031
355 1HB ASN 50 1HB ASN 50 -0.115 2.891 -9.062
356 2HB ASN 50 2HB ASN 50 0.183 2.163 -7.487
357 1HD2 ASN 50 1HD2 ASN 50 1.385 2.278 -10.435
358 2HD2 ASN 50 2HD2 ASN 50 2.028 0.682 -10.597
359 H THR 51 H THR 51 -2.170 1.173 -5.943
360 HA THR 51 HA THR 51 -3.480 3.797 -5.644
361 HB THR 51 HB THR 51 -5.164 2.834 -4.189
362 HG1 THR 51 HG1 THR 51 -3.735 0.419 -4.658
363 1HG2 THR 51 1HG2 THR 51 -4.818 1.786 -6.940
364 2HG2 THR 51 2HG2 THR 51 -6.056 1.028 -5.941
365 3HG2 THR 51 3HG2 THR 51 -6.116 2.762 -6.257
366 H TRP 52 H TRP 52 -2.754 4.988 -4.003
367 HA TRP 52 HA TRP 52 -0.767 3.917 -2.209
368 1HB TRP 52 1HB TRP 52 -2.014 6.671 -2.224
369 2HB TRP 52 2HB TRP 52 -0.522 6.189 -1.443
370 HD1 TRP 52 HD1 TRP 52 -1.824 6.050 -5.114
371 HE1 TRP 52 HE1 TRP 52 0.098 6.822 -6.643
372 HE3 TRP 52 HE3 TRP 52 1.730 6.922 -1.561
373 HZ2 TRP 52 HZ2 TRP 52 2.770 7.705 -6.370
374 HZ3 TRP 52 HZ3 TRP 52 3.933 7.727 -2.265
375 HH2 TRP 52 HH2 TRP 52 4.449 8.113 -4.623
376 H GLU 53 H GLU 53 -1.474 2.719 -0.550
377 HA GLU 53 HA GLU 53 -4.006 3.424 0.748
378 1HB GLU 53 1HB GLU 53 -2.356 0.951 1.229
379 2HB GLU 53 2HB GLU 53 -4.056 1.207 1.601
380 1HG GLU 53 1HG GLU 53 -4.582 1.267 -0.770
381 2HG GLU 53 2HG GLU 53 -2.876 1.054 -1.162
382 HA PRO 54 HA PRO 54 -2.190 5.138 4.387
383 1HB PRO 54 1HB PRO 54 -3.979 3.367 5.959
384 2HB PRO 54 2HB PRO 54 -3.810 5.125 6.006
385 1HG PRO 54 1HG PRO 54 -5.930 3.962 4.865
386 2HG PRO 54 2HG PRO 54 -5.214 5.442 4.207
387 1HD PRO 54 1HD PRO 54 -5.006 2.636 3.223
388 2HD PRO 54 2HD PRO 54 -5.069 4.153 2.305
389 H GLU 55 H GLU 55 -0.432 4.649 5.570
390 HA GLU 55 HA GLU 55 0.867 2.210 5.361
391 1HB GLU 55 1HB GLU 55 2.026 4.278 5.947
392 2HB GLU 55 2HB GLU 55 1.187 4.345 7.489
393 1HG GLU 55 1HG GLU 55 2.291 2.252 8.155
394 2HG GLU 55 2HG GLU 55 3.162 2.246 6.621
395 H GLU 56 H GLU 56 -1.290 3.395 7.898
396 HA GLU 56 HA GLU 56 -0.898 1.261 9.703
397 1HB GLU 56 1HB GLU 56 -3.282 3.080 9.322
398 2HB GLU 56 2HB GLU 56 -3.087 1.970 10.670
399 1HG GLU 56 1HG GLU 56 -2.476 4.160 11.387
400 2HG GLU 56 2HG GLU 56 -1.020 3.171 11.303
401 H ASN 57 H ASN 57 -3.280 1.792 7.130
402 HA ASN 57 HA ASN 57 -4.832 -0.491 7.547
403 1HB ASN 57 1HB ASN 57 -4.236 1.050 5.020
404 2HB ASN 57 2HB ASN 57 -5.434 -0.237 5.112
405 1HD2 ASN 57 1HD2 ASN 57 -7.372 0.616 5.118
406 2HD2 ASN 57 2HD2 ASN 57 -7.878 1.996 6.026
407 H LEU 58 H LEU 58 -1.790 -0.090 5.823
408 HA LEU 58 HA LEU 58 -1.788 -2.486 4.394
409 1HB LEU 58 1HB LEU 58 0.668 -1.224 5.592
410 2HB LEU 58 2HB LEU 58 0.578 -2.241 4.170
411 HG LEU 58 HG LEU 58 -0.125 0.645 4.478
412 1HD1 LEU 58 1HD1 LEU 58 2.086 -0.334 3.607
413 2HD1 LEU 58 2HD1 LEU 58 1.167 -0.717 2.148
414 3HD1 LEU 58 3HD1 LEU 58 1.314 0.958 2.687
415 1HD2 LEU 58 1HD2 LEU 58 -2.075 -0.747 3.469
416 2HD2 LEU 58 2HD2 LEU 58 -1.537 0.726 2.665
417 3HD2 LEU 58 3HD2 LEU 58 -1.027 -0.848 2.056
418 H ASP 59 H ASP 59 -1.580 -4.535 4.927
419 HA ASP 59 HA ASP 59 -0.875 -5.220 7.692
420 1HB ASP 59 1HB ASP 59 -3.091 -5.983 6.656
421 2HB ASP 59 2HB ASP 59 -2.130 -7.054 5.640
422 H CYS 60 H CYS 60 1.269 -4.495 6.269
423 HA CYS 60 HA CYS 60 2.834 -6.894 6.176
424 1HB CYS 60 1HB CYS 60 3.579 -6.600 3.823
425 2HB CYS 60 2HB CYS 60 1.884 -7.054 3.964
426 HG CYS 60 HG CYS 60 1.818 -3.853 3.938
427 HA PRO 61 HA PRO 61 4.893 -2.808 7.427
428 1HB PRO 61 1HB PRO 61 6.222 -4.117 9.501
429 2HB PRO 61 2HB PRO 61 4.760 -3.141 9.669
430 1HG PRO 61 1HG PRO 61 5.053 -6.104 9.467
431 2HG PRO 61 2HG PRO 61 3.926 -5.150 10.449
432 1HD PRO 61 1HD PRO 61 3.120 -6.374 8.212
433 2HD PRO 61 2HD PRO 61 2.493 -4.773 8.660
434 H ASP 62 H ASP 62 5.921 -6.109 6.890
435 HA ASP 62 HA ASP 62 8.671 -5.841 6.833
436 1HB ASP 62 1HB ASP 62 6.946 -7.553 5.031
437 2HB ASP 62 2HB ASP 62 8.673 -7.770 5.295
438 H LEU 63 H LEU 63 6.360 -5.282 4.180
439 HA LEU 63 HA LEU 63 8.265 -4.649 2.216
440 1HB LEU 63 1HB LEU 63 5.432 -3.650 2.469
441 2HB LEU 63 2HB LEU 63 6.420 -3.540 1.027
442 HG LEU 63 HG LEU 63 5.359 -6.055 2.306
443 1HD1 LEU 63 1HD1 LEU 63 4.605 -4.370 -0.001
444 2HD1 LEU 63 2HD1 LEU 63 4.503 -6.117 -0.211
445 3HD1 LEU 63 3HD1 LEU 63 3.599 -5.332 1.084
446 1HD2 LEU 63 1HD2 LEU 63 7.632 -6.406 1.430
447 2HD2 LEU 63 2HD2 LEU 63 6.413 -7.277 0.498
448 3HD2 LEU 63 3HD2 LEU 63 7.110 -5.786 -0.135
449 H ILE 64 H ILE 64 6.488 -2.573 4.479
450 HA ILE 64 HA ILE 64 7.300 -0.093 3.568
451 HB ILE 64 HB ILE 64 6.778 -1.016 6.395
452 1HG1 ILE 64 1HG1 ILE 64 4.696 0.355 6.070
453 2HG1 ILE 64 2HG1 ILE 64 5.156 0.561 4.385
454 1HG2 ILE 64 1HG2 ILE 64 7.733 1.595 5.390
455 2HG2 ILE 64 2HG2 ILE 64 6.444 1.627 6.593
456 3HG2 ILE 64 3HG2 ILE 64 7.970 0.824 6.958
457 1HD1 ILE 64 1HD1 ILE 64 4.927 -2.190 5.491
458 2HD1 ILE 64 2HD1 ILE 64 3.464 -1.288 5.095
459 3HD1 ILE 64 3HD1 ILE 64 4.668 -1.607 3.847
460 H ALA 65 H ALA 65 8.949 -2.261 5.831
461 HA ALA 65 HA ALA 65 11.172 -0.558 6.277
462 1HB ALA 65 1HB ALA 65 11.750 -3.382 6.604
463 2HB ALA 65 2HB ALA 65 10.228 -2.918 7.364
464 3HB ALA 65 3HB ALA 65 11.722 -2.088 7.802
465 H GLU 66 H GLU 66 10.567 -3.242 4.059
466 HA GLU 66 HA GLU 66 13.136 -3.500 2.996
467 1HB GLU 66 1HB GLU 66 10.420 -4.068 1.807
468 2HB GLU 66 2HB GLU 66 11.925 -4.472 0.989
469 1HG GLU 66 1HG GLU 66 12.559 -5.876 2.915
470 2HG GLU 66 2HG GLU 66 10.999 -5.520 3.653
471 H PHE 67 H PHE 67 10.475 -1.380 2.044
472 HA PHE 67 HA PHE 67 11.723 -0.375 -0.294
473 1HB PHE 67 1HB PHE 67 9.404 -0.128 -0.248
474 2HB PHE 67 2HB PHE 67 9.393 0.495 1.394
475 HD1 PHE 67 HD1 PHE 67 10.842 1.432 -1.930
476 HD2 PHE 67 HD2 PHE 67 8.890 2.690 1.635
477 HE1 PHE 67 HE1 PHE 67 10.751 3.736 -2.794
478 HE2 PHE 67 HE2 PHE 67 8.795 4.990 0.784
479 HZ PHE 67 HZ PHE 67 9.727 5.520 -1.437
480 H LEU 68 H LEU 68 11.464 0.875 3.019
481 HA LEU 68 HA LEU 68 12.793 3.302 2.559
482 1HB LEU 68 1HB LEU 68 12.626 1.704 5.110
483 2HB LEU 68 2HB LEU 68 13.048 3.404 4.987
484 HG LEU 68 HG LEU 68 10.379 2.200 4.251
485 1HD1 LEU 68 1HD1 LEU 68 11.391 3.644 6.661
486 2HD1 LEU 68 2HD1 LEU 68 9.693 3.746 6.193
487 3HD1 LEU 68 3HD1 LEU 68 10.415 2.179 6.558
488 1HD2 LEU 68 1HD2 LEU 68 11.494 4.972 4.042
489 2HD2 LEU 68 2HD2 LEU 68 10.606 4.033 2.841
490 3HD2 LEU 68 3HD2 LEU 68 9.763 4.696 4.242
491 H GLN 69 H GLN 69 14.021 0.099 2.838
492 HA GLN 69 HA GLN 69 16.531 0.419 3.909
493 1HB GLN 69 1HB GLN 69 15.767 -1.266 1.515
494 2HB GLN 69 2HB GLN 69 17.262 -1.434 2.423
495 1HG GLN 69 1HG GLN 69 14.504 -1.810 3.561
496 2HG GLN 69 2HG GLN 69 15.562 -3.107 3.018
497 1HE2 GLN 69 1HE2 GLN 69 17.659 -0.976 4.228
498 2HE2 GLN 69 2HE2 GLN 69 17.728 -1.494 5.873
499 H SER 70 H SER 70 15.500 1.117 0.591
500 HA SER 70 HA SER 70 17.986 1.775 -0.489
501 1HB SER 70 1HB SER 70 15.278 2.975 -1.133
502 2HB SER 70 2HB SER 70 16.716 3.109 -2.144
503 HG SER 70 HG SER 70 15.398 0.701 -1.418
504 H GLN 71 H GLN 71 15.598 3.811 1.159
505 HA GLN 71 HA GLN 71 17.251 6.149 1.067
506 1HB GLN 71 1HB GLN 71 14.746 5.539 2.638
507 2HB GLN 71 2HB GLN 71 15.531 7.111 2.593
508 1HG GLN 71 1HG GLN 71 15.169 7.207 0.169
509 2HG GLN 71 2HG GLN 71 14.339 5.653 0.246
510 1HE2 GLN 71 1HE2 GLN 71 12.230 5.828 0.208
511 2HE2 GLN 71 2HE2 GLN 71 11.296 7.118 0.876
512 H LYS 72 H LYS 72 16.128 6.338 4.103
513 HA LYS 72 HA LYS 72 17.028 6.207 6.184
514 1HB LYS 72 1HB LYS 72 16.916 3.798 5.899
515 2HB LYS 72 2HB LYS 72 18.428 3.802 5.001
516 1HG LYS 72 1HG LYS 72 19.626 4.527 6.996
517 2HG LYS 72 2HG LYS 72 18.112 4.560 7.901
518 1HD LYS 72 1HD LYS 72 17.844 2.172 7.601
519 2HD LYS 72 2HD LYS 72 19.289 2.111 6.590
520 1HE LYS 72 1HE LYS 72 19.745 1.349 8.875
521 2HE LYS 72 2HE LYS 72 20.663 2.798 8.470
522 1HZ LYS 72 1HZ LYS 72 18.228 3.591 9.597
523 2HZ LYS 72 2HZ LYS 72 18.895 2.407 10.605
524 3HZ LYS 72 3HZ LYS 72 19.788 3.794 10.224
525 H THR 73 H THR 73 18.477 7.543 7.035
526 HA THR 73 HA THR 73 20.295 8.893 7.267
527 HB THR 73 HB THR 73 21.766 6.587 5.967
528 HG1 THR 73 HG1 THR 73 21.150 5.676 7.794
529 1HG2 THR 73 1HG2 THR 73 22.657 9.088 7.335
530 2HG2 THR 73 2HG2 THR 73 23.614 7.620 7.524
531 3HG2 THR 73 3HG2 THR 73 23.328 8.284 5.916
532 H ALA 74 H ALA 74 21.580 7.357 4.365
533 HA ALA 74 HA ALA 74 21.787 9.927 3.055
534 1HB ALA 74 1HB ALA 74 23.454 7.893 3.008
535 2HB ALA 74 2HB ALA 74 22.437 7.371 1.665
536 3HB ALA 74 3HB ALA 74 23.256 8.932 1.597
537 H HIS 75 H HIS 75 19.172 9.460 3.481
538 HA HIS 75 HA HIS 75 17.661 8.026 1.707
539 1HB HIS 75 1HB HIS 75 15.885 9.729 2.064
540 2HB HIS 75 2HB HIS 75 16.650 9.201 3.557
541 HD1 HIS 75 HD1 HIS 75 17.189 12.055 1.079
542 HD2 HIS 75 HD2 HIS 75 17.189 11.293 5.163
543 HE1 HIS 75 HE1 HIS 75 17.653 14.270 2.176
544 HE2 HIS 75 HE2 HIS 75 17.737 13.767 4.643
545 H GLU 76 H GLU 76 19.252 11.119 1.155
546 HA GLU 76 HA GLU 76 19.246 10.751 -1.660
547 1HB GLU 76 1HB GLU 76 16.868 11.462 -1.260
548 2HB GLU 76 2HB GLU 76 17.482 12.990 -0.650
549 1HG GLU 76 1HG GLU 76 18.011 11.956 -3.424
550 2HG GLU 76 2HG GLU 76 16.684 13.039 -3.009
551 H THR 77 H THR 77 20.839 11.917 -2.566
552 HA THR 77 HA THR 77 21.756 14.416 -1.479
553 HB THR 77 HB THR 77 23.582 12.009 -1.292
554 HG1 THR 77 HG1 THR 77 22.376 11.969 0.525
555 1HG2 THR 77 1HG2 THR 77 24.046 14.956 -0.928
556 2HG2 THR 77 2HG2 THR 77 25.064 13.758 -0.130
557 3HG2 THR 77 3HG2 THR 77 24.970 13.802 -1.890
558 H ASP 78 H ASP 78 22.793 15.598 -3.008
559 HA ASP 78 HA ASP 78 22.858 14.568 -5.682
560 1HB ASP 78 1HB ASP 78 23.591 16.830 -6.304
561 2HB ASP 78 2HB ASP 78 22.190 16.883 -5.240
562 H LYS 79 H LYS 79 24.656 13.248 -3.840
563 HA LYS 79 HA LYS 79 26.862 12.709 -3.491
564 1HB LYS 79 1HB LYS 79 27.909 11.906 -5.580
565 2HB LYS 79 2HB LYS 79 26.241 11.387 -5.412
566 1HG LYS 79 1HG LYS 79 25.552 13.183 -6.951
567 2HG LYS 79 2HG LYS 79 27.247 13.626 -7.156
568 1HD LYS 79 1HD LYS 79 27.722 11.393 -8.041
569 2HD LYS 79 2HD LYS 79 26.027 10.948 -7.830
570 1HE LYS 79 1HE LYS 79 25.385 12.731 -9.395
571 2HE LYS 79 2HE LYS 79 27.088 13.125 -9.628
572 1HZ LYS 79 1HZ LYS 79 25.974 10.437 -10.185
573 2HZ LYS 79 2HZ LYS 79 26.059 11.652 -11.358
574 3HZ LYS 79 3HZ LYS 79 27.477 11.055 -10.655
575 H SER 80 H SER 80 28.856 13.326 -5.760
576 HA SER 80 HA SER 80 30.581 14.772 -6.060
577 1HB SER 80 1HB SER 80 28.402 16.832 -5.634
578 2HB SER 80 2HB SER 80 29.992 17.158 -6.324
579 HG SER 80 HG SER 80 28.272 15.211 -7.429
580 H1 ALA 1 H1 ALA 1 -1.898 -11.341 8.227
581 H2 ALA 1 H2 ALA 1 -3.219 -11.921 9.112
582 H3 ALA 1 H3 ALA 1 -1.799 -11.467 9.912
583 HA ALA 1 HA ALA 1 -1.305 -13.619 9.886
584 1HB ALA 1 1HB ALA 1 -3.715 -13.706 8.490
585 2HB ALA 1 2HB ALA 1 -2.571 -14.601 7.489
586 3HB ALA 1 3HB ALA 1 -2.827 -15.070 9.170
587 H ARG 2 H ARG 2 0.577 -14.441 9.210
588 HA ARG 2 HA ARG 2 2.036 -13.172 7.145
589 1HB ARG 2 1HB ARG 2 3.739 -14.938 7.589
590 2HB ARG 2 2HB ARG 2 3.208 -14.088 9.034
591 1HG ARG 2 1HG ARG 2 1.757 -15.951 9.618
592 2HG ARG 2 2HG ARG 2 2.241 -16.800 8.149
593 1HD ARG 2 1HD ARG 2 4.541 -16.888 8.935
594 2HD ARG 2 2HD ARG 2 4.098 -15.979 10.380
595 HE ARG 2 HE ARG 2 3.862 -18.762 10.023
596 1HH1 ARG 2 1HH1 ARG 2 2.122 -16.055 11.366
597 2HH1 ARG 2 2HH1 ARG 2 1.276 -17.016 12.533
598 1HH2 ARG 2 1HH2 ARG 2 2.752 -20.030 11.558
599 2HH2 ARG 2 2HH2 ARG 2 1.634 -19.273 12.643
600 H THR 3 H THR 3 2.376 -13.687 5.064
601 HA THR 3 HA THR 3 1.877 -16.296 3.993
602 HB THR 3 HB THR 3 0.003 -14.060 3.183
603 HG1 THR 3 HG1 THR 3 -0.728 -16.591 4.229
604 1HG2 THR 3 1HG2 THR 3 0.698 -16.675 1.958
605 2HG2 THR 3 2HG2 THR 3 -1.000 -16.196 1.950
606 3HG2 THR 3 3HG2 THR 3 0.213 -15.161 1.195
607 H GLN 5 H GLN 5 2.514 -11.120 3.080
608 HA GLN 5 HA GLN 5 1.865 -8.941 3.120
609 1HB GLN 5 1HB GLN 5 3.393 -8.811 0.514
610 2HB GLN 5 2HB GLN 5 2.815 -7.415 1.412
611 1HG GLN 5 1HG GLN 5 5.145 -7.729 1.854
612 2HG GLN 5 2HG GLN 5 4.230 -8.090 3.314
613 1HE2 GLN 5 1HE2 GLN 5 4.935 -9.786 4.367
614 2HE2 GLN 5 2HE2 GLN 5 5.695 -11.178 3.683
615 H THR 6 H THR 6 0.016 -7.838 2.600
616 HA THR 6 HA THR 6 -1.255 -8.291 0.020
617 HB THR 6 HB THR 6 -3.438 -8.897 1.127
618 HG1 THR 6 HG1 THR 6 -3.041 -8.389 3.258
619 1HG2 THR 6 1HG2 THR 6 -1.666 -10.492 0.068
620 2HG2 THR 6 2HG2 THR 6 -1.426 -11.022 1.734
621 3HG2 THR 6 3HG2 THR 6 -3.017 -11.164 0.984
622 H ALA 7 H ALA 7 -1.314 -6.660 3.155
623 HA ALA 7 HA ALA 7 -2.097 -4.606 3.776
624 1HB ALA 7 1HB ALA 7 -0.694 -3.714 2.034
625 2HB ALA 7 2HB ALA 7 -2.236 -2.856 2.000
626 3HB ALA 7 3HB ALA 7 -1.897 -4.108 0.805
627 H ARG 8 H ARG 8 -3.949 -2.940 2.171
628 HA ARG 8 HA ARG 8 -6.262 -4.582 1.655
629 1HB ARG 8 1HB ARG 8 -6.173 -2.787 4.079
630 2HB ARG 8 2HB ARG 8 -7.674 -3.335 3.350
631 1HG ARG 8 1HG ARG 8 -7.060 -5.648 3.788
632 2HG ARG 8 2HG ARG 8 -5.530 -5.117 4.486
633 1HD ARG 8 1HD ARG 8 -8.284 -4.451 5.525
634 2HD ARG 8 2HD ARG 8 -7.167 -5.622 6.226
635 HE ARG 8 HE ARG 8 -5.901 -3.118 6.060
636 1HH1 ARG 8 1HH1 ARG 8 -8.429 -4.746 7.818
637 2HH1 ARG 8 2HH1 ARG 8 -8.252 -3.766 9.234
638 1HH2 ARG 8 1HH2 ARG 8 -5.660 -1.823 7.917
639 2HH2 ARG 8 2HH2 ARG 8 -6.677 -2.103 9.292
640 H SER 10 H SER 10 -7.278 0.803 -0.825
641 HA SER 10 HA SER 10 -8.131 1.774 1.646
642 1HB SER 10 1HB SER 10 -6.741 3.091 0.114
643 2HB SER 10 2HB SER 10 -8.088 3.213 -1.018
644 HG SER 10 HG SER 10 -8.701 4.882 0.081
645 H THR 11 H THR 11 -10.076 1.585 2.501
646 HA THR 11 HA THR 11 -12.328 1.620 2.805
647 HB THR 11 HB THR 11 -12.331 3.330 0.310
648 HG1 THR 11 HG1 THR 11 -12.581 4.985 2.075
649 1HG2 THR 11 1HG2 THR 11 -14.446 2.549 2.256
650 2HG2 THR 11 2HG2 THR 11 -14.453 4.199 1.633
651 3HG2 THR 11 3HG2 THR 11 -14.560 2.834 0.520
652 H GLY 12 H GLY 12 -13.755 0.030 2.482
653 1HA GLY 12 1HA GLY 12 -14.844 -1.734 1.490
654 2HA GLY 12 2HA GLY 12 -13.478 -1.833 0.387
655 H GLY 13 H GLY 13 -14.121 -1.772 -1.657
656 1HA GLY 13 1HA GLY 13 -14.948 -0.510 -3.512
657 2HA GLY 13 2HA GLY 13 -16.104 0.255 -2.433
658 H LYS 14 H LYS 14 -17.143 -2.040 -1.182
659 HA LYS 14 HA LYS 14 -19.118 -2.799 -3.032
660 1HB LYS 14 1HB LYS 14 -17.141 -4.139 -3.888
661 2HB LYS 14 2HB LYS 14 -17.209 -5.049 -2.385
662 1HG LYS 14 1HG LYS 14 -18.333 -6.263 -4.138
663 2HG LYS 14 2HG LYS 14 -19.505 -5.741 -2.927
664 1HD LYS 14 1HD LYS 14 -20.144 -3.861 -4.359
665 2HD LYS 14 2HD LYS 14 -18.970 -4.381 -5.569
666 1HE LYS 14 1HE LYS 14 -20.175 -6.496 -5.824
667 2HE LYS 14 2HE LYS 14 -21.346 -5.976 -4.614
668 1HZ LYS 14 1HZ LYS 14 -20.864 -4.354 -7.030
669 2HZ LYS 14 2HZ LYS 14 -21.914 -5.681 -7.082
670 3HZ LYS 14 3HZ LYS 14 -22.229 -4.394 -6.031
671 H ALA 15 H ALA 15 -18.646 -5.609 -1.394
672 HA ALA 15 HA ALA 15 -19.360 -4.906 1.260
673 1HB ALA 15 1HB ALA 15 -21.564 -5.601 -0.649
674 2HB ALA 15 2HB ALA 15 -21.488 -4.296 0.534
675 3HB ALA 15 3HB ALA 15 -21.700 -5.962 1.072
676 HA PRO 16 HA PRO 16 -17.717 -9.251 0.144
677 1HB PRO 16 1HB PRO 16 -15.918 -8.415 2.369
678 2HB PRO 16 2HB PRO 16 -15.539 -9.299 0.886
679 1HG PRO 16 1HG PRO 16 -14.876 -6.738 1.133
680 2HG PRO 16 2HG PRO 16 -15.489 -7.370 -0.407
681 1HD PRO 16 1HD PRO 16 -16.884 -5.721 1.658
682 2HD PRO 16 2HD PRO 16 -17.013 -5.660 -0.112
683 H GLY 17 H GLY 17 -18.451 -11.012 1.189
684 1HA GLY 17 1HA GLY 17 -19.796 -12.163 2.676
685 2HA GLY 17 2HA GLY 17 -20.050 -10.663 3.552
686 H GLY 18 H GLY 18 -17.505 -9.964 4.299
687 1HA GLY 18 1HA GLY 18 -15.872 -11.985 5.314
688 2HA GLY 18 2HA GLY 18 -17.077 -11.629 6.542
No H/Q in entry = 688
Start of MODEL 21
1 H1 HIS 8 H1 HIS 8 -21.544 -7.965 23.871
2 H2 HIS 8 H2 HIS 8 -21.020 -9.532 23.513
3 H3 HIS 8 H3 HIS 8 -22.649 -9.120 23.314
4 HA HIS 8 HA HIS 8 -23.148 -9.480 25.431
5 1HB HIS 8 1HB HIS 8 -21.763 -11.444 24.810
6 2HB HIS 8 2HB HIS 8 -20.346 -10.631 25.465
7 HD1 HIS 8 HD1 HIS 8 -23.811 -11.507 26.799
8 HD2 HIS 8 HD2 HIS 8 -19.819 -11.516 27.952
9 HE1 HIS 8 HE1 HIS 8 -23.789 -12.435 29.136
10 HE2 HIS 8 HE2 HIS 8 -21.355 -12.500 29.786
11 H MET 9 H MET 9 -19.860 -8.171 25.244
12 HA MET 9 HA MET 9 -20.428 -6.057 27.044
13 1HB MET 9 1HB MET 9 -20.247 -7.985 28.643
14 2HB MET 9 2HB MET 9 -18.580 -8.193 28.127
15 1HG MET 9 1HG MET 9 -18.699 -6.976 30.218
16 2HG MET 9 2HG MET 9 -18.040 -5.961 28.938
17 1HE MET 9 1HE MET 9 -21.519 -7.179 29.774
18 2HE MET 9 2HE MET 9 -21.348 -6.399 31.347
19 3HE MET 9 3HE MET 9 -22.454 -5.731 30.145
20 H VAL 10 H VAL 10 -19.455 -6.073 24.515
21 HA VAL 10 HA VAL 10 -17.112 -4.528 24.718
22 HB VAL 10 HB VAL 10 -15.979 -6.662 25.061
23 1HG1 VAL 10 1HG1 VAL 10 -17.731 -7.992 23.803
24 2HG1 VAL 10 2HG1 VAL 10 -16.891 -7.513 22.327
25 3HG1 VAL 10 3HG1 VAL 10 -16.052 -8.468 23.549
26 1HG2 VAL 10 1HG2 VAL 10 -15.241 -4.715 23.325
27 2HG2 VAL 10 2HG2 VAL 10 -14.220 -6.075 23.792
28 3HG2 VAL 10 3HG2 VAL 10 -15.149 -6.143 22.293
29 H GLU 11 H GLU 11 -18.992 -6.660 22.605
30 HA GLU 11 HA GLU 11 -18.421 -5.285 20.193
31 1HB GLU 11 1HB GLU 11 -19.260 -7.598 20.245
32 2HB GLU 11 2HB GLU 11 -20.787 -7.033 20.905
33 1HG GLU 11 1HG GLU 11 -21.042 -7.472 18.563
34 2HG GLU 11 2HG GLU 11 -21.168 -5.738 18.847
35 H GLU 12 H GLU 12 -19.673 -3.781 19.036
36 HA GLU 12 HA GLU 12 -22.077 -2.705 20.188
37 1HB GLU 12 1HB GLU 12 -21.288 -0.456 20.569
38 2HB GLU 12 2HB GLU 12 -20.341 -1.577 21.532
39 1HG GLU 12 1HG GLU 12 -19.431 -0.452 18.896
40 2HG GLU 12 2HG GLU 12 -19.048 0.265 20.458
41 H VAL 13 H VAL 13 -19.475 -2.198 17.811
42 HA VAL 13 HA VAL 13 -21.239 -2.220 15.620
43 HB VAL 13 HB VAL 13 -21.932 -0.037 16.552
44 1HG1 VAL 13 1HG1 VAL 13 -19.035 0.633 16.159
45 2HG1 VAL 13 2HG1 VAL 13 -20.285 1.875 16.230
46 3HG1 VAL 13 3HG1 VAL 13 -20.022 0.809 17.610
47 1HG2 VAL 13 1HG2 VAL 13 -21.342 -0.660 13.918
48 2HG2 VAL 13 2HG2 VAL 13 -22.377 0.650 14.483
49 3HG2 VAL 13 3HG2 VAL 13 -20.674 0.956 14.143
50 H LEU 14 H LEU 14 -18.842 -3.476 16.179
51 HA LEU 14 HA LEU 14 -16.674 -2.131 14.847
52 1HB LEU 14 1HB LEU 14 -16.295 -3.726 16.688
53 2HB LEU 14 2HB LEU 14 -16.946 -5.017 15.695
54 HG LEU 14 HG LEU 14 -15.089 -4.709 14.096
55 1HD1 LEU 14 1HD1 LEU 14 -14.535 -2.419 15.866
56 2HD1 LEU 14 2HD1 LEU 14 -13.131 -3.356 15.353
57 3HD1 LEU 14 3HD1 LEU 14 -14.200 -2.639 14.148
58 1HD2 LEU 14 1HD2 LEU 14 -14.517 -5.314 16.975
59 2HD2 LEU 14 2HD2 LEU 14 -14.715 -6.428 15.622
60 3HD2 LEU 14 3HD2 LEU 14 -13.259 -5.441 15.746
61 H GLU 15 H GLU 15 -16.051 -2.300 12.756
62 HA GLU 15 HA GLU 15 -16.678 -4.450 11.047
63 1HB GLU 15 1HB GLU 15 -18.358 -3.552 9.624
64 2HB GLU 15 2HB GLU 15 -18.956 -3.405 11.268
65 1HG GLU 15 1HG GLU 15 -17.713 -1.177 9.671
66 2HG GLU 15 2HG GLU 15 -19.441 -1.436 9.883
67 H GLU 16 H GLU 16 -15.625 -4.325 9.086
68 HA GLU 16 HA GLU 16 -14.337 -1.819 8.326
69 1HB GLU 16 1HB GLU 16 -12.801 -4.376 8.834
70 2HB GLU 16 2HB GLU 16 -12.132 -2.921 8.108
71 1HG GLU 16 1HG GLU 16 -12.569 -1.691 10.175
72 2HG GLU 16 2HG GLU 16 -13.231 -3.155 10.901
73 H GLU 17 H GLU 17 -14.733 -5.269 7.600
74 HA GLU 17 HA GLU 17 -15.017 -6.414 5.658
75 1HB GLU 17 1HB GLU 17 -17.054 -4.941 5.676
76 2HB GLU 17 2HB GLU 17 -16.190 -3.826 4.629
77 1HG GLU 17 1HG GLU 17 -17.658 -5.183 3.309
78 2HG GLU 17 2HG GLU 17 -15.990 -5.609 2.941
79 H GLU 18 H GLU 18 -12.473 -5.227 5.997
80 HA GLU 18 HA GLU 18 -11.741 -4.279 3.331
81 1HB GLU 18 1HB GLU 18 -10.137 -4.416 5.860
82 2HB GLU 18 2HB GLU 18 -9.546 -3.779 4.339
83 1HG GLU 18 1HG GLU 18 -11.272 -2.040 4.414
84 2HG GLU 18 2HG GLU 18 -11.828 -2.675 5.962
85 H GLU 19 H GLU 19 -10.908 -5.617 1.864
86 HA GLU 19 HA GLU 19 -10.157 -8.311 2.663
87 1HB GLU 19 1HB GLU 19 -10.406 -7.065 -0.079
88 2HB GLU 19 2HB GLU 19 -10.083 -8.765 0.236
89 1HG GLU 19 1HG GLU 19 -12.245 -8.966 1.357
90 2HG GLU 19 2HG GLU 19 -12.568 -7.264 1.031
91 H GLU 20 H GLU 20 -8.147 -9.144 2.620
92 HA GLU 20 HA GLU 20 -5.933 -7.319 2.461
93 1HB GLU 20 1HB GLU 20 -4.579 -9.355 3.039
94 2HB GLU 20 2HB GLU 20 -5.835 -8.944 4.195
95 1HG GLU 20 1HG GLU 20 -7.273 -10.677 3.262
96 2HG GLU 20 2HG GLU 20 -6.025 -11.079 2.082
97 H TYR 21 H TYR 21 -6.217 -6.790 0.150
98 HA TYR 21 HA TYR 21 -5.863 -8.677 -1.903
99 1HB TYR 21 1HB TYR 21 -5.362 -5.708 -1.771
100 2HB TYR 21 2HB TYR 21 -5.062 -6.635 -3.236
101 HD1 TYR 21 HD1 TYR 21 -7.831 -6.470 -0.711
102 HD2 TYR 21 HD2 TYR 21 -6.705 -6.375 -4.812
103 HE1 TYR 21 HE1 TYR 21 -10.194 -6.227 -1.350
104 HE2 TYR 21 HE2 TYR 21 -9.063 -6.131 -5.461
105 HH TYR 21 HH TYR 21 -11.638 -6.003 -3.017
106 H VAL 22 H VAL 22 -4.108 -9.644 -2.752
107 HA VAL 22 HA VAL 22 -1.690 -9.757 -1.348
108 HB VAL 22 HB VAL 22 -2.218 -10.505 -4.229
109 1HG1 VAL 22 1HG1 VAL 22 0.187 -10.190 -3.677
110 2HG1 VAL 22 2HG1 VAL 22 0.020 -11.426 -2.431
111 3HG1 VAL 22 3HG1 VAL 22 -0.228 -11.845 -4.127
112 1HG2 VAL 22 1HG2 VAL 22 -3.149 -11.642 -1.819
113 2HG2 VAL 22 2HG2 VAL 22 -3.304 -12.281 -3.456
114 3HG2 VAL 22 3HG2 VAL 22 -1.915 -12.729 -2.462
115 H VAL 23 H VAL 23 0.235 -8.729 -1.529
116 HA VAL 23 HA VAL 23 0.470 -6.633 -3.590
117 HB VAL 23 HB VAL 23 1.464 -6.431 -0.743
118 1HG1 VAL 23 1HG1 VAL 23 2.262 -5.082 -3.085
119 2HG1 VAL 23 2HG1 VAL 23 1.312 -3.940 -2.133
120 3HG1 VAL 23 3HG1 VAL 23 2.718 -4.730 -1.419
121 1HG2 VAL 23 1HG2 VAL 23 -1.053 -6.311 -1.115
122 2HG2 VAL 23 2HG2 VAL 23 -0.302 -4.953 -0.276
123 3HG2 VAL 23 3HG2 VAL 23 -0.739 -4.805 -1.978
124 H GLU 24 H GLU 24 2.222 -6.809 -4.823
125 HA GLU 24 HA GLU 24 4.179 -8.837 -4.294
126 1HB GLU 24 1HB GLU 24 3.418 -8.369 -6.578
127 2HB GLU 24 2HB GLU 24 4.074 -6.740 -6.470
128 1HG GLU 24 1HG GLU 24 6.323 -7.644 -6.264
129 2HG GLU 24 2HG GLU 24 5.679 -9.284 -6.325
130 H LYS 25 H LYS 25 4.206 -5.284 -4.427
131 HA LYS 25 HA LYS 25 6.164 -5.043 -2.399
132 1HB LYS 25 1HB LYS 25 7.653 -5.884 -4.176
133 2HB LYS 25 2HB LYS 25 7.148 -4.559 -5.217
134 1HG LYS 25 1HG LYS 25 8.061 -2.975 -3.524
135 2HG LYS 25 2HG LYS 25 8.701 -4.364 -2.648
136 1HD LYS 25 1HD LYS 25 9.368 -3.715 -5.517
137 2HD LYS 25 2HD LYS 25 10.355 -3.231 -4.139
138 1HE LYS 25 1HE LYS 25 11.303 -5.218 -5.072
139 2HE LYS 25 2HE LYS 25 10.563 -5.638 -3.528
140 1HZ LYS 25 1HZ LYS 25 8.961 -5.941 -5.963
141 2HZ LYS 25 2HZ LYS 25 10.172 -7.083 -5.659
142 3HZ LYS 25 3HZ LYS 25 8.931 -6.845 -4.533
143 H VAL 26 H VAL 26 6.284 -2.946 -1.650
144 HA VAL 26 HA VAL 26 4.328 -1.121 -2.607
145 HB VAL 26 HB VAL 26 4.801 0.208 -0.795
146 1HG1 VAL 26 1HG1 VAL 26 5.760 -2.547 -0.160
147 2HG1 VAL 26 2HG1 VAL 26 5.756 -1.288 1.076
148 3HG1 VAL 26 3HG1 VAL 26 4.249 -1.754 0.287
149 1HG2 VAL 26 1HG2 VAL 26 7.043 0.834 -1.505
150 2HG2 VAL 26 2HG2 VAL 26 6.940 0.550 0.232
151 3HG2 VAL 26 3HG2 VAL 26 7.670 -0.666 -0.818
152 H LEU 27 H LEU 27 4.488 0.459 -4.096
153 HA LEU 27 HA LEU 27 6.879 0.605 -5.663
154 1HB LEU 27 1HB LEU 27 4.319 2.184 -5.858
155 2HB LEU 27 2HB LEU 27 5.613 2.217 -7.040
156 HG LEU 27 HG LEU 27 3.935 -0.193 -6.333
157 1HD1 LEU 27 1HD1 LEU 27 2.719 1.517 -7.600
158 2HD1 LEU 27 2HD1 LEU 27 3.983 1.496 -8.828
159 3HD1 LEU 27 3HD1 LEU 27 2.996 0.060 -8.554
160 1HD2 LEU 27 1HD2 LEU 27 6.116 0.161 -8.385
161 2HD2 LEU 27 2HD2 LEU 27 6.187 -0.851 -6.942
162 3HD2 LEU 27 3HD2 LEU 27 5.066 -1.249 -8.245
163 H ASP 28 H ASP 28 5.108 3.018 -3.679
164 HA ASP 28 HA ASP 28 7.676 4.316 -3.179
165 1HB ASP 28 1HB ASP 28 6.589 5.269 -5.305
166 2HB ASP 28 2HB ASP 28 5.410 6.001 -4.223
167 H ARG 29 H ARG 29 6.345 6.780 -2.247
168 HA ARG 29 HA ARG 29 4.520 6.080 -0.154
169 1HB ARG 29 1HB ARG 29 6.490 5.239 0.929
170 2HB ARG 29 2HB ARG 29 7.406 6.680 0.505
171 1HG ARG 29 1HG ARG 29 5.737 7.967 1.929
172 2HG ARG 29 2HG ARG 29 5.217 6.393 2.535
173 1HD ARG 29 1HD ARG 29 6.856 7.368 4.031
174 2HD ARG 29 2HD ARG 29 7.516 5.928 3.258
175 HE ARG 29 HE ARG 29 8.268 8.111 1.712
176 1HH1 ARG 29 1HH1 ARG 29 8.813 6.903 4.936
177 2HH1 ARG 29 2HH1 ARG 29 10.389 7.609 5.071
178 1HH2 ARG 29 1HH2 ARG 29 10.343 9.040 1.882
179 2HH2 ARG 29 2HH2 ARG 29 11.259 8.821 3.336
180 H ARG 30 H ARG 30 3.392 7.844 0.479
181 HA ARG 30 HA ARG 30 4.536 10.490 0.375
182 1HB ARG 30 1HB ARG 30 3.068 11.468 -1.219
183 2HB ARG 30 2HB ARG 30 3.761 10.047 -1.986
184 1HG ARG 30 1HG ARG 30 1.718 8.796 -1.530
185 2HG ARG 30 2HG ARG 30 1.026 10.214 -0.738
186 1HD ARG 30 1HD ARG 30 1.877 10.044 -3.628
187 2HD ARG 30 2HD ARG 30 0.217 9.974 -3.037
188 HE ARG 30 HE ARG 30 1.394 12.329 -2.090
189 1HH1 ARG 30 1HH1 ARG 30 0.371 10.897 -5.097
190 2HH1 ARG 30 2HH1 ARG 30 0.037 12.417 -5.856
191 1HH2 ARG 30 1HH2 ARG 30 0.954 14.335 -3.081
192 2HH2 ARG 30 2HH2 ARG 30 0.370 14.371 -4.712
193 H VAL 31 H VAL 31 3.354 12.012 1.567
194 HA VAL 31 HA VAL 31 0.879 11.061 2.822
195 HB VAL 31 HB VAL 31 2.660 10.585 4.430
196 1HG1 VAL 31 1HG1 VAL 31 3.608 13.166 3.582
197 2HG1 VAL 31 2HG1 VAL 31 3.447 13.098 5.337
198 3HG1 VAL 31 3HG1 VAL 31 4.438 11.906 4.495
199 1HG2 VAL 31 1HG2 VAL 31 0.362 12.177 4.887
200 2HG2 VAL 31 2HG2 VAL 31 1.160 11.060 5.994
201 3HG2 VAL 31 3HG2 VAL 31 1.638 12.757 5.956
202 H VAL 32 H VAL 32 -0.621 12.630 3.254
203 HA VAL 32 HA VAL 32 0.107 15.363 2.429
204 HB VAL 32 HB VAL 32 -2.095 15.668 1.513
205 1HG1 VAL 32 1HG1 VAL 32 -0.226 14.364 0.265
206 2HG1 VAL 32 2HG1 VAL 32 -1.305 12.981 0.459
207 3HG1 VAL 32 3HG1 VAL 32 -1.852 14.414 -0.416
208 1HG2 VAL 32 1HG2 VAL 32 -2.654 12.912 2.591
209 2HG2 VAL 32 2HG2 VAL 32 -3.475 14.420 2.992
210 3HG2 VAL 32 3HG2 VAL 32 -3.672 13.710 1.391
211 H LYS 33 H LYS 33 -1.733 13.379 4.671
212 HA LYS 33 HA LYS 33 -1.859 15.638 6.523
213 1HB LYS 33 1HB LYS 33 -4.297 13.953 5.926
214 2HB LYS 33 2HB LYS 33 -4.203 15.345 6.996
215 1HG LYS 33 1HG LYS 33 -3.736 16.776 5.045
216 2HG LYS 33 2HG LYS 33 -3.922 15.364 3.999
217 1HD LYS 33 1HD LYS 33 -6.226 15.094 4.771
218 2HD LYS 33 2HD LYS 33 -6.042 16.496 5.827
219 1HE LYS 33 1HE LYS 33 -7.205 17.085 3.761
220 2HE LYS 33 2HE LYS 33 -5.658 17.921 3.887
221 1HZ LYS 33 1HZ LYS 33 -6.007 15.406 2.356
222 2HZ LYS 33 2HZ LYS 33 -6.187 16.938 1.659
223 3HZ LYS 33 3HZ LYS 33 -4.696 16.473 2.312
224 H GLY 34 H GLY 34 -0.086 13.643 6.826
225 1HA GLY 34 1HA GLY 34 -0.884 12.444 9.305
226 2HA GLY 34 2HA GLY 34 0.652 12.203 8.480
227 H LYS 35 H LYS 35 -1.885 11.686 6.398
228 HA LYS 35 HA LYS 35 -2.338 8.893 7.046
229 1HB LYS 35 1HB LYS 35 -3.805 9.064 4.969
230 2HB LYS 35 2HB LYS 35 -4.279 10.043 6.351
231 1HG LYS 35 1HG LYS 35 -3.884 11.976 5.283
232 2HG LYS 35 2HG LYS 35 -2.463 11.349 4.449
233 1HD LYS 35 1HD LYS 35 -4.223 11.873 2.867
234 2HD LYS 35 2HD LYS 35 -3.907 10.136 2.905
235 1HE LYS 35 1HE LYS 35 -5.853 9.809 4.345
236 2HE LYS 35 2HE LYS 35 -6.159 11.544 4.339
237 1HZ LYS 35 1HZ LYS 35 -6.230 9.772 1.956
238 2HZ LYS 35 2HZ LYS 35 -7.580 10.389 2.766
239 3HZ LYS 35 3HZ LYS 35 -6.528 11.436 1.953
240 H VAL 36 H VAL 36 0.282 9.402 6.448
241 HA VAL 36 HA VAL 36 1.375 9.335 4.025
242 HB VAL 36 HB VAL 36 2.724 9.090 6.008
243 1HG1 VAL 36 1HG1 VAL 36 1.245 7.534 7.223
244 2HG1 VAL 36 2HG1 VAL 36 1.783 6.233 6.161
245 3HG1 VAL 36 3HG1 VAL 36 2.934 7.027 7.236
246 1HG2 VAL 36 1HG2 VAL 36 3.069 6.998 3.892
247 2HG2 VAL 36 2HG2 VAL 36 3.937 8.518 4.102
248 3HG2 VAL 36 3HG2 VAL 36 4.232 7.175 5.207
249 H GLU 37 H GLU 37 0.226 8.506 2.344
250 HA GLU 37 HA GLU 37 -0.605 5.719 2.358
251 1HB GLU 37 1HB GLU 37 -1.580 6.273 0.144
252 2HB GLU 37 2HB GLU 37 -2.153 7.326 1.431
253 1HG GLU 37 1HG GLU 37 -0.405 8.978 0.696
254 2HG GLU 37 2HG GLU 37 -0.156 7.956 -0.718
255 H TYR 38 H TYR 38 0.557 4.116 1.528
256 HA TYR 38 HA TYR 38 3.015 4.760 0.077
257 1HB TYR 38 1HB TYR 38 2.071 2.362 1.602
258 2HB TYR 38 2HB TYR 38 3.360 2.197 0.417
259 HD1 TYR 38 HD1 TYR 38 5.515 2.381 1.165
260 HD2 TYR 38 HD2 TYR 38 2.441 4.401 3.299
261 HE1 TYR 38 HE1 TYR 38 7.163 3.106 2.833
262 HE2 TYR 38 HE2 TYR 38 4.081 5.133 4.975
263 HH TYR 38 HH TYR 38 6.623 3.959 5.698
264 H LEU 39 H LEU 39 3.367 4.248 -1.998
265 HA LEU 39 HA LEU 39 1.191 3.467 -3.650
266 1HB LEU 39 1HB LEU 39 3.617 4.679 -4.085
267 2HB LEU 39 2HB LEU 39 3.896 3.078 -4.743
268 HG LEU 39 HG LEU 39 1.892 5.126 -5.625
269 1HD1 LEU 39 1HD1 LEU 39 4.414 4.675 -6.472
270 2HD1 LEU 39 2HD1 LEU 39 3.498 3.627 -7.558
271 3HD1 LEU 39 3HD1 LEU 39 3.126 5.349 -7.471
272 1HD2 LEU 39 1HD2 LEU 39 1.648 2.251 -5.683
273 2HD2 LEU 39 2HD2 LEU 39 0.444 3.510 -5.996
274 3HD2 LEU 39 3HD2 LEU 39 1.537 2.988 -7.283
275 H LEU 40 H LEU 40 0.712 1.438 -4.518
276 HA LEU 40 HA LEU 40 2.506 -0.777 -3.846
277 1HB LEU 40 1HB LEU 40 -0.416 -0.674 -3.099
278 2HB LEU 40 2HB LEU 40 0.599 -2.100 -2.978
279 HG LEU 40 HG LEU 40 1.071 0.468 -1.460
280 1HD1 LEU 40 1HD1 LEU 40 -0.442 -2.003 -0.812
281 2HD1 LEU 40 2HD1 LEU 40 0.501 -1.223 0.460
282 3HD1 LEU 40 3HD1 LEU 40 -0.771 -0.326 -0.373
283 1HD2 LEU 40 1HD2 LEU 40 2.763 -1.695 -2.038
284 2HD2 LEU 40 2HD2 LEU 40 3.035 -0.374 -0.902
285 3HD2 LEU 40 3HD2 LEU 40 2.275 -1.868 -0.353
286 H LYS 41 H LYS 41 2.702 -2.217 -5.426
287 HA LYS 41 HA LYS 41 1.037 -1.938 -7.788
288 1HB LYS 41 1HB LYS 41 3.560 -2.232 -7.848
289 2HB LYS 41 2HB LYS 41 3.297 -3.895 -7.345
290 1HG LYS 41 1HG LYS 41 2.046 -2.740 -9.819
291 2HG LYS 41 2HG LYS 41 3.642 -3.487 -9.817
292 1HD LYS 41 1HD LYS 41 1.087 -4.838 -8.945
293 2HD LYS 41 2HD LYS 41 1.860 -5.043 -10.518
294 1HE LYS 41 1HE LYS 41 3.056 -5.748 -7.840
295 2HE LYS 41 2HE LYS 41 2.418 -6.887 -9.025
296 1HZ LYS 41 1HZ LYS 41 4.230 -5.401 -10.423
297 2HZ LYS 41 2HZ LYS 41 4.977 -5.621 -8.922
298 3HZ LYS 41 3HZ LYS 41 4.476 -6.962 -9.823
299 H TRP 42 H TRP 42 -0.874 -2.936 -7.765
300 HA TRP 42 HA TRP 42 -1.209 -5.381 -6.224
301 1HB TRP 42 1HB TRP 42 -3.364 -3.962 -7.781
302 2HB TRP 42 2HB TRP 42 -3.543 -5.027 -6.389
303 HD1 TRP 42 HD1 TRP 42 -2.713 -1.429 -7.324
304 HE1 TRP 42 HE1 TRP 42 -2.737 0.019 -5.197
305 HE3 TRP 42 HE3 TRP 42 -3.160 -5.130 -3.823
306 HZ2 TRP 42 HZ2 TRP 42 -2.912 -0.355 -2.409
307 HZ3 TRP 42 HZ3 TRP 42 -3.244 -4.497 -1.445
308 HH2 TRP 42 HH2 TRP 42 -3.119 -2.157 -0.754
309 H LYS 43 H LYS 43 -1.713 -7.355 -7.043
310 HA LYS 43 HA LYS 43 -0.817 -8.009 -9.625
311 1HB LYS 43 1HB LYS 43 -1.709 -10.253 -9.165
312 2HB LYS 43 2HB LYS 43 -0.802 -9.628 -7.794
313 1HG LYS 43 1HG LYS 43 -2.872 -9.053 -6.660
314 2HG LYS 43 2HG LYS 43 -3.803 -9.621 -8.047
315 1HD LYS 43 1HD LYS 43 -2.898 -11.877 -7.719
316 2HD LYS 43 2HD LYS 43 -1.984 -11.303 -6.323
317 1HE LYS 43 1HE LYS 43 -4.074 -10.710 -5.199
318 2HE LYS 43 2HE LYS 43 -4.989 -11.275 -6.596
319 1HZ LYS 43 1HZ LYS 43 -3.118 -13.162 -5.396
320 2HZ LYS 43 2HZ LYS 43 -4.505 -12.797 -4.499
321 3HZ LYS 43 3HZ LYS 43 -4.651 -13.430 -6.060
322 H GLY 44 H GLY 44 -1.873 -8.626 -11.481
323 1HA GLY 44 1HA GLY 44 -4.744 -8.538 -11.682
324 2HA GLY 44 2HA GLY 44 -3.610 -8.798 -13.001
325 H PHE 45 H PHE 45 -3.840 -6.091 -10.721
326 HA PHE 45 HA PHE 45 -4.943 -4.342 -12.704
327 1HB PHE 45 1HB PHE 45 -3.918 -3.844 -9.909
328 2HB PHE 45 2HB PHE 45 -4.581 -2.577 -10.933
329 HD1 PHE 45 HD1 PHE 45 -6.677 -1.953 -10.272
330 HD2 PHE 45 HD2 PHE 45 -5.622 -6.071 -10.085
331 HE1 PHE 45 HE1 PHE 45 -8.945 -2.495 -9.492
332 HE2 PHE 45 HE2 PHE 45 -7.890 -6.621 -9.307
333 HZ PHE 45 HZ PHE 45 -9.555 -4.831 -9.010
334 H SER 46 H SER 46 -3.893 -3.069 -14.092
335 HA SER 46 HA SER 46 -1.112 -3.301 -14.473
336 1HB SER 46 1HB SER 46 -1.379 -1.552 -16.174
337 2HB SER 46 2HB SER 46 -2.667 -2.750 -16.301
338 HG SER 46 HG SER 46 -3.875 -1.019 -16.249
339 H ASP 47 H ASP 47 0.278 -1.227 -14.710
340 HA ASP 47 HA ASP 47 0.838 -0.255 -12.170
341 1HB ASP 47 1HB ASP 47 2.477 -0.260 -13.988
342 2HB ASP 47 2HB ASP 47 1.553 0.973 -14.840
343 H GLU 48 H GLU 48 -1.036 1.245 -14.781
344 HA GLU 48 HA GLU 48 -1.428 3.738 -13.572
345 1HB GLU 48 1HB GLU 48 -3.217 2.245 -15.496
346 2HB GLU 48 2HB GLU 48 -3.339 3.954 -15.117
347 1HG GLU 48 1HG GLU 48 -0.947 2.637 -16.376
348 2HG GLU 48 2HG GLU 48 -2.200 3.512 -17.252
349 H ASP 49 H ASP 49 -3.261 0.728 -13.347
350 HA ASP 49 HA ASP 49 -5.461 1.715 -11.926
351 1HB ASP 49 1HB ASP 49 -4.237 -1.034 -12.080
352 2HB ASP 49 2HB ASP 49 -5.728 -0.698 -11.210
353 H ASN 50 H ASN 50 -2.238 0.967 -10.861
354 HA ASN 50 HA ASN 50 -2.512 0.318 -8.228
355 1HB ASN 50 1HB ASN 50 -0.529 2.242 -9.444
356 2HB ASN 50 2HB ASN 50 -0.418 1.645 -7.793
357 1HD2 ASN 50 1HD2 ASN 50 1.149 1.330 -10.407
358 2HD2 ASN 50 2HD2 ASN 50 1.460 -0.366 -10.474
359 H THR 51 H THR 51 -2.773 1.367 -6.288
360 HA THR 51 HA THR 51 -3.456 4.198 -6.294
361 HB THR 51 HB THR 51 -5.622 3.117 -6.631
362 HG1 THR 51 HG1 THR 51 -5.338 4.949 -5.119
363 1HG2 THR 51 1HG2 THR 51 -4.577 1.236 -4.696
364 2HG2 THR 51 2HG2 THR 51 -6.162 1.840 -4.212
365 3HG2 THR 51 3HG2 THR 51 -5.952 1.075 -5.787
366 H TRP 52 H TRP 52 -2.676 5.195 -4.551
367 HA TRP 52 HA TRP 52 -1.078 3.784 -2.685
368 1HB TRP 52 1HB TRP 52 -2.052 6.624 -2.404
369 2HB TRP 52 2HB TRP 52 -0.602 5.910 -1.726
370 HD1 TRP 52 HD1 TRP 52 -1.926 6.337 -5.376
371 HE1 TRP 52 HE1 TRP 52 0.027 7.182 -6.810
372 HE3 TRP 52 HE3 TRP 52 1.694 6.466 -1.790
373 HZ2 TRP 52 HZ2 TRP 52 2.753 7.808 -6.470
374 HZ3 TRP 52 HZ3 TRP 52 3.951 7.178 -2.427
375 HH2 TRP 52 HH2 TRP 52 4.471 7.829 -4.723
376 H GLU 53 H GLU 53 -1.601 2.931 -0.759
377 HA GLU 53 HA GLU 53 -4.253 3.575 0.352
378 1HB GLU 53 1HB GLU 53 -2.673 1.012 0.638
379 2HB GLU 53 2HB GLU 53 -4.242 1.332 1.362
380 1HG GLU 53 1HG GLU 53 -3.666 1.221 -1.588
381 2HG GLU 53 2HG GLU 53 -4.409 -0.060 -0.634
382 HA PRO 54 HA PRO 54 -2.402 5.269 3.983
383 1HB PRO 54 1HB PRO 54 -4.107 4.158 5.884
384 2HB PRO 54 2HB PRO 54 -4.400 5.658 5.000
385 1HG PRO 54 1HG PRO 54 -5.441 2.911 4.471
386 2HG PRO 54 2HG PRO 54 -6.262 4.475 4.307
387 1HD PRO 54 1HD PRO 54 -5.355 3.151 2.166
388 2HD PRO 54 2HD PRO 54 -5.260 4.922 2.259
389 H GLU 55 H GLU 55 -0.723 4.660 5.196
390 HA GLU 55 HA GLU 55 0.385 2.136 5.118
391 1HB GLU 55 1HB GLU 55 1.611 4.189 5.740
392 2HB GLU 55 2HB GLU 55 0.763 4.221 7.279
393 1HG GLU 55 1HG GLU 55 1.784 2.082 7.883
394 2HG GLU 55 2HG GLU 55 2.644 2.064 6.344
395 H GLU 56 H GLU 56 -1.767 3.504 7.576
396 HA GLU 56 HA GLU 56 -1.572 1.528 9.516
397 1HB GLU 56 1HB GLU 56 -4.034 3.088 8.712
398 2HB GLU 56 2HB GLU 56 -3.828 2.220 10.226
399 1HG GLU 56 1HG GLU 56 -2.154 4.550 9.315
400 2HG GLU 56 2HG GLU 56 -3.488 4.634 10.463
401 H ASN 57 H ASN 57 -3.730 1.679 6.705
402 HA ASN 57 HA ASN 57 -5.087 -0.742 7.195
403 1HB ASN 57 1HB ASN 57 -4.588 0.736 4.603
404 2HB ASN 57 2HB ASN 57 -5.712 -0.606 4.784
405 1HD2 ASN 57 1HD2 ASN 57 -7.666 0.242 4.605
406 2HD2 ASN 57 2HD2 ASN 57 -8.261 1.599 5.494
407 H LEU 58 H LEU 58 -2.136 0.023 5.441
408 HA LEU 58 HA LEU 58 -1.751 -2.397 4.116
409 1HB LEU 58 1HB LEU 58 0.497 -0.766 5.265
410 2HB LEU 58 2HB LEU 58 0.506 -1.751 3.817
411 HG LEU 58 HG LEU 58 -0.803 0.929 4.215
412 1HD1 LEU 58 1HD1 LEU 58 1.715 0.231 3.370
413 2HD1 LEU 58 2HD1 LEU 58 0.831 0.456 1.859
414 3HD1 LEU 58 3HD1 LEU 58 0.898 1.761 3.046
415 1HD2 LEU 58 1HD2 LEU 58 -1.259 -1.126 2.085
416 2HD2 LEU 58 2HD2 LEU 58 -2.438 -0.167 2.982
417 3HD2 LEU 58 3HD2 LEU 58 -1.434 0.597 1.750
418 H ASP 59 H ASP 59 -1.147 -4.363 4.710
419 HA ASP 59 HA ASP 59 -0.232 -4.765 7.481
420 1HB ASP 59 1HB ASP 59 -2.428 -5.807 6.932
421 2HB ASP 59 2HB ASP 59 -1.637 -6.751 5.673
422 H CYS 60 H CYS 60 1.584 -3.983 5.570
423 HA CYS 60 HA CYS 60 3.143 -6.444 5.132
424 1HB CYS 60 1HB CYS 60 3.135 -3.994 3.358
425 2HB CYS 60 2HB CYS 60 4.038 -5.480 3.086
426 HG CYS 60 HG CYS 60 0.623 -5.244 3.057
427 HA PRO 61 HA PRO 61 5.318 -3.239 7.915
428 1HB PRO 61 1HB PRO 61 6.003 -5.816 9.241
429 2HB PRO 61 2HB PRO 61 5.568 -4.261 9.959
430 1HG PRO 61 1HG PRO 61 3.823 -6.269 9.909
431 2HG PRO 61 2HG PRO 61 3.296 -4.597 9.634
432 1HD PRO 61 1HD PRO 61 3.691 -6.810 7.670
433 2HD PRO 61 2HD PRO 61 2.464 -5.527 7.695
434 H ASP 62 H ASP 62 6.345 -6.480 6.854
435 HA ASP 62 HA ASP 62 9.115 -5.907 6.886
436 1HB ASP 62 1HB ASP 62 8.216 -8.197 6.953
437 2HB ASP 62 2HB ASP 62 7.626 -8.013 5.306
438 H LEU 63 H LEU 63 6.752 -5.991 4.209
439 HA LEU 63 HA LEU 63 8.561 -5.338 2.175
440 1HB LEU 63 1HB LEU 63 5.607 -4.768 2.360
441 2HB LEU 63 2HB LEU 63 6.563 -4.569 0.906
442 HG LEU 63 HG LEU 63 5.920 -7.144 2.331
443 1HD1 LEU 63 1HD1 LEU 63 4.875 -5.711 0.026
444 2HD1 LEU 63 2HD1 LEU 63 5.315 -7.379 -0.334
445 3HD1 LEU 63 3HD1 LEU 63 4.167 -7.029 0.959
446 1HD2 LEU 63 1HD2 LEU 63 8.042 -6.495 0.353
447 2HD2 LEU 63 2HD2 LEU 63 8.043 -7.666 1.671
448 3HD2 LEU 63 3HD2 LEU 63 7.177 -8.022 0.177
449 H ILE 64 H ILE 64 6.530 -3.229 4.191
450 HA ILE 64 HA ILE 64 7.119 -0.805 2.961
451 HB ILE 64 HB ILE 64 6.637 -1.330 5.900
452 1HG1 ILE 64 1HG1 ILE 64 4.751 -0.422 3.712
453 2HG1 ILE 64 2HG1 ILE 64 4.808 -2.045 4.390
454 1HG2 ILE 64 1HG2 ILE 64 7.758 0.891 5.162
455 2HG2 ILE 64 2HG2 ILE 64 6.156 1.295 4.548
456 3HG2 ILE 64 3HG2 ILE 64 6.380 0.944 6.261
457 1HD1 ILE 64 1HD1 ILE 64 4.308 0.341 6.127
458 2HD1 ILE 64 2HD1 ILE 64 3.005 -0.434 5.224
459 3HD1 ILE 64 3HD1 ILE 64 3.916 -1.354 6.422
460 H ALA 65 H ALA 65 8.750 -2.312 5.754
461 HA ALA 65 HA ALA 65 10.790 -0.447 6.062
462 1HB ALA 65 1HB ALA 65 12.080 -2.555 6.925
463 2HB ALA 65 2HB ALA 65 10.674 -1.952 7.802
464 3HB ALA 65 3HB ALA 65 10.513 -3.344 6.731
465 H GLU 66 H GLU 66 10.528 -3.218 3.917
466 HA GLU 66 HA GLU 66 13.143 -3.312 2.955
467 1HB GLU 66 1HB GLU 66 11.484 -5.068 2.533
468 2HB GLU 66 2HB GLU 66 10.569 -3.972 1.506
469 1HG GLU 66 1HG GLU 66 11.878 -5.520 0.180
470 2HG GLU 66 2HG GLU 66 12.436 -3.864 -0.056
471 H PHE 67 H PHE 67 10.458 -1.227 2.069
472 HA PHE 67 HA PHE 67 11.651 -0.216 -0.307
473 1HB PHE 67 1HB PHE 67 9.300 -0.099 -0.173
474 2HB PHE 67 2HB PHE 67 9.334 0.687 1.398
475 HD1 PHE 67 HD1 PHE 67 8.976 2.934 1.496
476 HD2 PHE 67 HD2 PHE 67 10.472 1.256 -2.115
477 HE1 PHE 67 HE1 PHE 67 8.801 5.131 0.415
478 HE2 PHE 67 HE2 PHE 67 10.305 3.455 -3.210
479 HZ PHE 67 HZ PHE 67 9.468 5.397 -1.944
480 H LEU 68 H LEU 68 11.171 1.304 2.912
481 HA LEU 68 HA LEU 68 12.629 3.617 2.298
482 1HB LEU 68 1HB LEU 68 12.085 2.345 4.974
483 2HB LEU 68 2HB LEU 68 12.671 3.980 4.735
484 HG LEU 68 HG LEU 68 10.368 4.170 5.156
485 1HD1 LEU 68 1HD1 LEU 68 11.230 5.510 3.260
486 2HD1 LEU 68 2HD1 LEU 68 10.603 4.273 2.169
487 3HD1 LEU 68 3HD1 LEU 68 9.496 5.195 3.187
488 1HD2 LEU 68 1HD2 LEU 68 9.743 1.842 4.801
489 2HD2 LEU 68 2HD2 LEU 68 8.634 2.950 3.994
490 3HD2 LEU 68 3HD2 LEU 68 9.854 2.087 3.058
491 H GLN 69 H GLN 69 13.653 0.626 3.942
492 HA GLN 69 HA GLN 69 16.200 1.409 4.691
493 1HB GLN 69 1HB GLN 69 15.218 -1.300 3.790
494 2HB GLN 69 2HB GLN 69 16.804 -1.027 4.499
495 1HG GLN 69 1HG GLN 69 15.752 -0.211 6.544
496 2HG GLN 69 2HG GLN 69 14.161 -0.476 5.833
497 1HE2 GLN 69 1HE2 GLN 69 16.091 -2.883 4.701
498 2HE2 GLN 69 2HE2 GLN 69 15.751 -4.101 5.874
499 H SER 70 H SER 70 15.123 0.122 1.565
500 HA SER 70 HA SER 70 17.625 -0.116 0.344
501 1HB SER 70 1HB SER 70 14.972 0.629 -0.920
502 2HB SER 70 2HB SER 70 16.396 0.068 -1.796
503 HG SER 70 HG SER 70 14.591 -1.475 -1.012
504 H GLN 71 H GLN 71 15.347 2.599 0.326
505 HA GLN 71 HA GLN 71 17.270 4.347 -0.949
506 1HB GLN 71 1HB GLN 71 14.483 4.858 0.112
507 2HB GLN 71 2HB GLN 71 15.449 6.030 -0.777
508 1HG GLN 71 1HG GLN 71 15.401 4.685 -2.745
509 2HG GLN 71 2HG GLN 71 14.652 3.347 -1.876
510 1HE2 GLN 71 1HE2 GLN 71 13.243 5.986 -0.613
511 2HE2 GLN 71 2HE2 GLN 71 11.874 6.125 -1.653
512 H LYS 72 H LYS 72 15.567 6.278 1.118
513 HA LYS 72 HA LYS 72 16.078 7.462 2.989
514 1HB LYS 72 1HB LYS 72 16.065 5.207 4.072
515 2HB LYS 72 2HB LYS 72 17.790 5.086 3.754
516 1HG LYS 72 1HG LYS 72 18.185 7.053 5.158
517 2HG LYS 72 2HG LYS 72 16.455 7.157 5.487
518 1HD LYS 72 1HD LYS 72 17.550 6.065 7.338
519 2HD LYS 72 2HD LYS 72 16.549 4.891 6.482
520 1HE LYS 72 1HE LYS 72 18.525 4.042 5.323
521 2HE LYS 72 2HE LYS 72 19.530 5.232 6.153
522 1HZ LYS 72 1HZ LYS 72 18.750 4.178 8.276
523 2HZ LYS 72 2HZ LYS 72 18.092 2.929 7.344
524 3HZ LYS 72 3HZ LYS 72 19.760 3.215 7.321
525 H THR 73 H THR 73 17.237 8.636 1.166
526 HA THR 73 HA THR 73 18.995 9.842 0.392
527 HB THR 73 HB THR 73 20.659 10.624 1.985
528 HG1 THR 73 HG1 THR 73 21.195 9.452 3.657
529 1HG2 THR 73 1HG2 THR 73 17.918 10.973 2.209
530 2HG2 THR 73 2HG2 THR 73 18.448 10.657 3.861
531 3HG2 THR 73 3HG2 THR 73 19.166 11.980 2.941
532 H ALA 74 H ALA 74 19.103 7.470 -0.656
533 HA ALA 74 HA ALA 74 20.444 5.981 -1.718
534 1HB ALA 74 1HB ALA 74 22.411 8.033 -0.835
535 2HB ALA 74 2HB ALA 74 21.963 7.521 -2.462
536 3HB ALA 74 3HB ALA 74 23.010 6.504 -1.474
537 H HIS 75 H HIS 75 23.296 5.629 -0.297
538 HA HIS 75 HA HIS 75 22.636 4.355 2.155
539 1HB HIS 75 1HB HIS 75 23.183 2.023 1.421
540 2HB HIS 75 2HB HIS 75 21.662 2.645 0.795
541 HD1 HIS 75 HD1 HIS 75 22.547 0.388 -0.760
542 HD2 HIS 75 HD2 HIS 75 24.101 4.167 -1.511
543 HE1 HIS 75 HE1 HIS 75 23.422 0.300 -3.115
544 HE2 HIS 75 HE2 HIS 75 24.457 2.562 -3.506
545 H GLU 76 H GLU 76 24.377 4.189 3.397
546 HA GLU 76 HA GLU 76 27.024 3.789 2.308
547 1HB GLU 76 1HB GLU 76 26.229 6.385 3.630
548 2HB GLU 76 2HB GLU 76 27.899 5.849 3.515
549 1HG GLU 76 1HG GLU 76 26.075 6.331 1.169
550 2HG GLU 76 2HG GLU 76 27.278 7.470 1.774
551 H THR 77 H THR 77 25.545 2.160 3.936
552 HA THR 77 HA THR 77 25.725 0.892 5.812
553 HB THR 77 HB THR 77 28.223 2.508 6.363
554 HG1 THR 77 HG1 THR 77 27.911 -0.049 5.135
555 1HG2 THR 77 1HG2 THR 77 27.158 1.214 8.292
556 2HG2 THR 77 2HG2 THR 77 27.572 -0.245 7.390
557 3HG2 THR 77 3HG2 THR 77 28.845 0.854 7.923
558 H ASP 78 H ASP 78 24.789 0.939 7.787
559 HA ASP 78 HA ASP 78 24.923 3.152 9.562
560 1HB ASP 78 1HB ASP 78 22.510 3.785 9.442
561 2HB ASP 78 2HB ASP 78 23.427 4.228 8.006
562 H LYS 79 H LYS 79 24.269 2.608 11.582
563 HA LYS 79 HA LYS 79 23.947 -0.101 12.225
564 1HB LYS 79 1HB LYS 79 23.258 2.308 13.918
565 2HB LYS 79 2HB LYS 79 23.527 0.673 14.508
566 1HG LYS 79 1HG LYS 79 25.581 2.411 13.151
567 2HG LYS 79 2HG LYS 79 25.461 2.112 14.885
568 1HD LYS 79 1HD LYS 79 25.866 -0.061 12.835
569 2HD LYS 79 2HD LYS 79 27.188 0.742 13.685
570 1HE LYS 79 1HE LYS 79 26.714 -1.307 14.821
571 2HE LYS 79 2HE LYS 79 26.150 0.019 15.835
572 1HZ LYS 79 1HZ LYS 79 24.304 -1.350 13.985
573 2HZ LYS 79 2HZ LYS 79 24.641 -2.007 15.508
574 3HZ LYS 79 3HZ LYS 79 23.946 -0.470 15.384
575 H SER 80 H SER 80 21.567 2.545 12.176
576 HA SER 80 HA SER 80 19.366 0.987 12.997
577 1HB SER 80 1HB SER 80 19.327 3.429 13.114
578 2HB SER 80 2HB SER 80 19.420 3.532 11.356
579 HG SER 80 HG SER 80 17.311 2.383 12.870
580 H1 ALA 1 H1 ALA 1 10.084 -20.740 2.671
581 H2 ALA 1 H2 ALA 1 10.713 -21.566 4.006
582 H3 ALA 1 H3 ALA 1 9.588 -22.324 2.996
583 HA ALA 1 HA ALA 1 7.888 -21.525 4.115
584 1HB ALA 1 1HB ALA 1 9.960 -20.307 5.935
585 2HB ALA 1 2HB ALA 1 8.288 -20.687 6.347
586 3HB ALA 1 3HB ALA 1 9.425 -21.986 5.987
587 H ARG 2 H ARG 2 8.495 -19.938 1.945
588 HA ARG 2 HA ARG 2 8.706 -17.187 2.495
589 1HB ARG 2 1HB ARG 2 9.109 -18.136 0.268
590 2HB ARG 2 2HB ARG 2 7.412 -18.573 0.140
591 1HG ARG 2 1HG ARG 2 7.857 -16.574 -1.133
592 2HG ARG 2 2HG ARG 2 6.803 -16.198 0.231
593 1HD ARG 2 1HD ARG 2 8.733 -15.363 1.487
594 2HD ARG 2 2HD ARG 2 9.784 -15.739 0.122
595 HE ARG 2 HE ARG 2 8.262 -13.402 0.446
596 1HH1 ARG 2 1HH1 ARG 2 9.101 -15.736 -2.007
597 2HH1 ARG 2 2HH1 ARG 2 8.920 -14.614 -3.314
598 1HH2 ARG 2 1HH2 ARG 2 8.026 -11.923 -1.272
599 2HH2 ARG 2 2HH2 ARG 2 8.309 -12.451 -2.897
600 H THR 3 H THR 3 7.207 -15.606 2.852
601 HA THR 3 HA THR 3 4.372 -16.320 2.887
602 HB THR 3 HB THR 3 4.054 -15.285 5.112
603 HG1 THR 3 HG1 THR 3 6.902 -15.237 5.093
604 1HG2 THR 3 1HG2 THR 3 5.381 -17.811 4.581
605 2HG2 THR 3 2HG2 THR 3 5.736 -17.205 6.199
606 3HG2 THR 3 3HG2 THR 3 4.063 -17.442 5.694
607 H GLN 5 H GLN 5 1.838 -10.706 1.887
608 HA GLN 5 HA GLN 5 2.144 -10.161 4.704
609 1HB GLN 5 1HB GLN 5 3.149 -8.243 2.601
610 2HB GLN 5 2HB GLN 5 2.707 -7.721 4.220
611 1HG GLN 5 1HG GLN 5 4.816 -9.774 3.588
612 2HG GLN 5 2HG GLN 5 5.128 -8.071 3.924
613 1HE2 GLN 5 1HE2 GLN 5 5.758 -7.688 5.912
614 2HE2 GLN 5 2HE2 GLN 5 5.311 -8.585 7.322
615 H THR 6 H THR 6 0.909 -9.134 1.571
616 HA THR 6 HA THR 6 -1.080 -8.333 0.858
617 HB THR 6 HB THR 6 -3.113 -9.076 1.936
618 HG1 THR 6 HG1 THR 6 -2.946 -8.946 4.071
619 1HG2 THR 6 1HG2 THR 6 -1.702 -10.710 0.672
620 2HG2 THR 6 2HG2 THR 6 -1.038 -11.247 2.214
621 3HG2 THR 6 3HG2 THR 6 -2.757 -11.445 1.877
622 H ALA 7 H ALA 7 -2.288 -6.514 0.882
623 HA ALA 7 HA ALA 7 -2.344 -4.895 3.329
624 1HB ALA 7 1HB ALA 7 -0.683 -3.666 2.386
625 2HB ALA 7 2HB ALA 7 -1.084 -4.180 0.746
626 3HB ALA 7 3HB ALA 7 -2.042 -2.927 1.538
627 H ARG 8 H ARG 8 -4.383 -4.413 3.767
628 HA ARG 8 HA ARG 8 -6.472 -4.842 1.877
629 1HB ARG 8 1HB ARG 8 -6.569 -3.526 4.596
630 2HB ARG 8 2HB ARG 8 -7.961 -4.071 3.669
631 1HG ARG 8 1HG ARG 8 -7.184 -6.372 3.830
632 2HG ARG 8 2HG ARG 8 -5.764 -5.836 4.731
633 1HD ARG 8 1HD ARG 8 -8.638 -5.534 5.597
634 2HD ARG 8 2HD ARG 8 -7.485 -6.708 6.229
635 HE ARG 8 HE ARG 8 -6.398 -4.152 6.547
636 1HH1 ARG 8 1HH1 ARG 8 -9.045 -6.070 7.753
637 2HH1 ARG 8 2HH1 ARG 8 -9.090 -5.274 9.291
638 1HH2 ARG 8 1HH2 ARG 8 -6.451 -3.098 8.568
639 2HH2 ARG 8 2HH2 ARG 8 -7.616 -3.585 9.753
640 H SER 10 H SER 10 -7.838 1.075 -0.036
641 HA SER 10 HA SER 10 -9.110 1.426 2.507
642 1HB SER 10 1HB SER 10 -7.839 3.248 1.496
643 2HB SER 10 2HB SER 10 -8.936 3.273 0.115
644 HG SER 10 HG SER 10 -9.536 4.873 1.574
645 H THR 11 H THR 11 -10.453 -0.596 1.192
646 HA THR 11 HA THR 11 -12.737 0.271 -0.234
647 HB THR 11 HB THR 11 -13.650 -1.970 0.206
648 HG1 THR 11 HG1 THR 11 -11.829 -3.297 1.393
649 1HG2 THR 11 1HG2 THR 11 -10.717 -1.946 -0.514
650 2HG2 THR 11 2HG2 THR 11 -11.823 -3.285 -0.819
651 3HG2 THR 11 3HG2 THR 11 -12.073 -1.735 -1.621
652 H GLY 12 H GLY 12 -12.356 -0.807 3.151
653 1HA GLY 12 1HA GLY 12 -13.670 -0.447 5.004
654 2HA GLY 12 2HA GLY 12 -15.012 -0.158 3.907
655 H GLY 13 H GLY 13 -15.933 1.692 4.534
656 1HA GLY 13 1HA GLY 13 -14.525 4.157 4.241
657 2HA GLY 13 2HA GLY 13 -14.789 3.776 5.936
658 H LYS 14 H LYS 14 -17.253 2.749 6.058
659 HA LYS 14 HA LYS 14 -19.459 3.288 6.148
660 1HB LYS 14 1HB LYS 14 -18.420 6.050 5.485
661 2HB LYS 14 2HB LYS 14 -20.068 5.697 5.983
662 1HG LYS 14 1HG LYS 14 -19.229 4.848 8.124
663 2HG LYS 14 2HG LYS 14 -17.584 5.239 7.623
664 1HD LYS 14 1HD LYS 14 -19.832 7.236 7.881
665 2HD LYS 14 2HD LYS 14 -18.586 6.959 9.099
666 1HE LYS 14 1HE LYS 14 -18.103 7.877 6.265
667 2HE LYS 14 2HE LYS 14 -18.090 8.911 7.692
668 1HZ LYS 14 1HZ LYS 14 -16.247 6.633 7.208
669 2HZ LYS 14 2HZ LYS 14 -15.854 8.268 7.026
670 3HZ LYS 14 3HZ LYS 14 -16.227 7.653 8.557
671 H ALA 15 H ALA 15 -18.730 2.053 3.881
672 HA ALA 15 HA ALA 15 -19.477 1.530 1.803
673 1HB ALA 15 1HB ALA 15 -21.691 1.732 1.912
674 2HB ALA 15 2HB ALA 15 -21.585 3.185 2.908
675 3HB ALA 15 3HB ALA 15 -21.491 3.311 1.151
676 HA PRO 16 HA PRO 16 -16.935 4.161 -0.706
677 1HB PRO 16 1HB PRO 16 -18.384 2.857 -2.949
678 2HB PRO 16 2HB PRO 16 -16.648 2.978 -2.649
679 1HG PRO 16 1HG PRO 16 -17.940 0.683 -2.258
680 2HG PRO 16 2HG PRO 16 -16.645 1.201 -1.162
681 1HD PRO 16 1HD PRO 16 -19.608 1.277 -0.768
682 2HD PRO 16 2HD PRO 16 -18.323 0.907 0.400
683 H GLY 17 H GLY 17 -17.173 6.161 -1.518
684 1HA GLY 17 1HA GLY 17 -19.630 7.491 -1.480
685 2HA GLY 17 2HA GLY 17 -19.317 7.016 -3.143
686 H GLY 18 H GLY 18 -16.564 7.343 -3.267
687 1HA GLY 18 1HA GLY 18 -15.618 9.791 -2.247
688 2HA GLY 18 2HA GLY 18 -16.337 10.079 -3.824
No H/Q in entry = 688
Start of MODEL 22
1 H1 HIS 8 H1 HIS 8 -31.041 0.061 18.829
2 H2 HIS 8 H2 HIS 8 -31.866 0.158 20.302
3 H3 HIS 8 H3 HIS 8 -31.803 -1.309 19.462
4 HA HIS 8 HA HIS 8 -33.874 -0.654 18.862
5 1HB HIS 8 1HB HIS 8 -33.638 1.441 20.207
6 2HB HIS 8 2HB HIS 8 -32.861 2.199 18.822
7 HD1 HIS 8 HD1 HIS 8 -35.055 3.829 19.386
8 HD2 HIS 8 HD2 HIS 8 -35.742 0.210 17.464
9 HE1 HIS 8 HE1 HIS 8 -37.315 4.057 18.312
10 HE2 HIS 8 HE2 HIS 8 -37.758 1.814 17.253
11 H MET 9 H MET 9 -34.514 -1.007 16.830
12 HA MET 9 HA MET 9 -34.250 -1.475 14.604
13 1HB MET 9 1HB MET 9 -34.267 0.547 13.209
14 2HB MET 9 2HB MET 9 -35.372 0.675 14.568
15 1HG MET 9 1HG MET 9 -33.763 2.067 15.755
16 2HG MET 9 2HG MET 9 -32.639 1.923 14.405
17 1HE MET 9 1HE MET 9 -33.152 2.660 12.032
18 2HE MET 9 2HE MET 9 -34.851 2.222 11.849
19 3HE MET 9 3HE MET 9 -34.334 3.885 11.569
20 H VAL 10 H VAL 10 -31.948 -2.232 15.773
21 HA VAL 10 HA VAL 10 -29.582 -1.053 14.850
22 HB VAL 10 HB VAL 10 -30.052 -3.987 15.402
23 1HG1 VAL 10 1HG1 VAL 10 -27.571 -2.309 15.176
24 2HG1 VAL 10 2HG1 VAL 10 -27.590 -3.844 16.044
25 3HG1 VAL 10 3HG1 VAL 10 -27.975 -3.799 14.324
26 1HG2 VAL 10 1HG2 VAL 10 -29.702 -1.641 17.185
27 2HG2 VAL 10 2HG2 VAL 10 -30.644 -3.113 17.419
28 3HG2 VAL 10 3HG2 VAL 10 -28.894 -3.143 17.636
29 H GLU 11 H GLU 11 -28.498 -1.123 12.968
30 HA GLU 11 HA GLU 11 -29.806 -2.043 10.622
31 1HB GLU 11 1HB GLU 11 -26.965 -1.094 11.036
32 2HB GLU 11 2HB GLU 11 -27.720 -1.350 9.469
33 1HG GLU 11 1HG GLU 11 -29.375 0.373 9.985
34 2HG GLU 11 2HG GLU 11 -28.610 0.633 11.552
35 H GLU 12 H GLU 12 -27.294 -2.963 9.304
36 HA GLU 12 HA GLU 12 -27.659 -5.765 9.799
37 1HB GLU 12 1HB GLU 12 -27.286 -4.890 7.530
38 2HB GLU 12 2HB GLU 12 -25.685 -4.342 8.005
39 1HG GLU 12 1HG GLU 12 -25.536 -6.404 6.759
40 2HG GLU 12 2HG GLU 12 -25.021 -6.658 8.426
41 H VAL 13 H VAL 13 -24.909 -3.524 10.106
42 HA VAL 13 HA VAL 13 -22.991 -3.613 11.325
43 HB VAL 13 HB VAL 13 -24.476 -5.477 13.179
44 1HG1 VAL 13 1HG1 VAL 13 -21.876 -4.469 13.241
45 2HG1 VAL 13 2HG1 VAL 13 -22.778 -3.496 14.404
46 3HG1 VAL 13 3HG1 VAL 13 -22.747 -5.254 14.559
47 1HG2 VAL 13 1HG2 VAL 13 -25.804 -3.442 12.614
48 2HG2 VAL 13 2HG2 VAL 13 -25.366 -3.571 14.318
49 3HG2 VAL 13 3HG2 VAL 13 -24.486 -2.466 13.264
50 H LEU 14 H LEU 14 -22.838 -5.199 9.188
51 HA LEU 14 HA LEU 14 -20.867 -7.093 9.884
52 1HB LEU 14 1HB LEU 14 -22.892 -8.357 10.593
53 2HB LEU 14 2HB LEU 14 -23.480 -8.282 8.944
54 HG LEU 14 HG LEU 14 -21.522 -9.596 8.202
55 1HD1 LEU 14 1HD1 LEU 14 -20.097 -8.826 10.165
56 2HD1 LEU 14 2HD1 LEU 14 -20.917 -10.076 11.102
57 3HD1 LEU 14 3HD1 LEU 14 -19.960 -10.518 9.688
58 1HD2 LEU 14 1HD2 LEU 14 -23.724 -10.608 8.939
59 2HD2 LEU 14 2HD2 LEU 14 -22.329 -11.686 8.931
60 3HD2 LEU 14 3HD2 LEU 14 -22.918 -11.017 10.452
61 H GLU 15 H GLU 15 -20.740 -5.036 8.190
62 HA GLU 15 HA GLU 15 -20.309 -6.345 5.627
63 1HB GLU 15 1HB GLU 15 -21.995 -3.850 5.909
64 2HB GLU 15 2HB GLU 15 -21.402 -4.492 4.384
65 1HG GLU 15 1HG GLU 15 -22.691 -6.535 4.740
66 2HG GLU 15 2HG GLU 15 -23.283 -5.894 6.271
67 H GLU 16 H GLU 16 -18.533 -5.611 4.598
68 HA GLU 16 HA GLU 16 -17.476 -3.006 4.844
69 1HB GLU 16 1HB GLU 16 -15.489 -3.419 6.159
70 2HB GLU 16 2HB GLU 16 -16.909 -3.811 7.114
71 1HG GLU 16 1HG GLU 16 -15.250 -5.857 5.661
72 2HG GLU 16 2HG GLU 16 -14.997 -5.398 7.341
73 H GLU 17 H GLU 17 -16.765 -6.414 4.248
74 HA GLU 17 HA GLU 17 -15.603 -7.483 2.615
75 1HB GLU 17 1HB GLU 17 -17.322 -6.274 1.245
76 2HB GLU 17 2HB GLU 17 -16.147 -4.993 0.988
77 1HG GLU 17 1HG GLU 17 -16.193 -6.426 -0.931
78 2HG GLU 17 2HG GLU 17 -14.651 -6.619 -0.100
79 H GLU 18 H GLU 18 -14.008 -6.250 4.462
80 HA GLU 18 HA GLU 18 -11.974 -4.684 3.171
81 1HB GLU 18 1HB GLU 18 -12.090 -5.915 5.898
82 2HB GLU 18 2HB GLU 18 -10.802 -4.862 5.348
83 1HG GLU 18 1HG GLU 18 -12.427 -3.059 5.034
84 2HG GLU 18 2HG GLU 18 -13.708 -4.123 5.614
85 H GLU 19 H GLU 19 -12.213 -6.987 1.742
86 HA GLU 19 HA GLU 19 -10.594 -9.139 2.476
87 1HB GLU 19 1HB GLU 19 -12.167 -9.101 0.560
88 2HB GLU 19 2HB GLU 19 -11.027 -8.075 -0.304
89 1HG GLU 19 1HG GLU 19 -10.836 -10.385 -0.992
90 2HG GLU 19 2HG GLU 19 -9.355 -9.832 -0.226
91 H GLU 20 H GLU 20 -8.445 -9.454 2.549
92 HA GLU 20 HA GLU 20 -6.704 -7.203 2.070
93 1HB GLU 20 1HB GLU 20 -5.993 -10.012 2.926
94 2HB GLU 20 2HB GLU 20 -4.953 -8.600 3.013
95 1HG GLU 20 1HG GLU 20 -6.443 -7.579 4.640
96 2HG GLU 20 2HG GLU 20 -7.518 -8.972 4.540
97 H TYR 21 H TYR 21 -5.844 -6.771 0.155
98 HA TYR 21 HA TYR 21 -5.678 -8.866 -1.865
99 1HB TYR 21 1HB TYR 21 -5.327 -5.869 -1.986
100 2HB TYR 21 2HB TYR 21 -4.985 -6.921 -3.356
101 HD1 TYR 21 HD1 TYR 21 -6.643 -6.882 -4.950
102 HD2 TYR 21 HD2 TYR 21 -7.761 -6.625 -0.854
103 HE1 TYR 21 HE1 TYR 21 -9.011 -6.798 -5.607
104 HE2 TYR 21 HE2 TYR 21 -10.130 -6.543 -1.499
105 HH TYR 21 HH TYR 21 -11.179 -7.169 -4.729
106 H VAL 22 H VAL 22 -3.836 -9.810 -2.511
107 HA VAL 22 HA VAL 22 -1.486 -9.586 -0.992
108 HB VAL 22 HB VAL 22 -1.760 -10.732 -3.773
109 1HG1 VAL 22 1HG1 VAL 22 0.461 -10.530 -1.905
110 2HG1 VAL 22 2HG1 VAL 22 0.131 -12.190 -2.404
111 3HG1 VAL 22 3HG1 VAL 22 0.456 -10.952 -3.617
112 1HG2 VAL 22 1HG2 VAL 22 -2.948 -11.569 -1.355
113 2HG2 VAL 22 2HG2 VAL 22 -2.917 -12.413 -2.903
114 3HG2 VAL 22 3HG2 VAL 22 -1.647 -12.704 -1.714
115 H VAL 23 H VAL 23 0.087 -8.137 -1.028
116 HA VAL 23 HA VAL 23 0.286 -6.294 -3.294
117 HB VAL 23 HB VAL 23 1.619 -6.153 -0.583
118 1HG1 VAL 23 1HG1 VAL 23 1.623 -4.337 -2.966
119 2HG1 VAL 23 2HG1 VAL 23 1.879 -3.703 -1.341
120 3HG1 VAL 23 3HG1 VAL 23 2.984 -4.908 -1.999
121 1HG2 VAL 23 1HG2 VAL 23 -0.867 -5.933 -0.556
122 2HG2 VAL 23 2HG2 VAL 23 -0.006 -4.499 0.007
123 3HG2 VAL 23 3HG2 VAL 23 -0.701 -4.530 -1.614
124 H GLU 24 H GLU 24 1.908 -6.410 -4.725
125 HA GLU 24 HA GLU 24 3.792 -8.546 -4.582
126 1HB GLU 24 1HB GLU 24 2.885 -7.775 -6.723
127 2HB GLU 24 2HB GLU 24 3.648 -6.207 -6.492
128 1HG GLU 24 1HG GLU 24 5.847 -7.265 -6.556
129 2HG GLU 24 2HG GLU 24 5.083 -8.837 -6.788
130 H LYS 25 H LYS 25 4.105 -5.004 -4.438
131 HA LYS 25 HA LYS 25 6.123 -4.986 -2.492
132 1HB LYS 25 1HB LYS 25 7.481 -6.008 -4.300
133 2HB LYS 25 2HB LYS 25 7.156 -4.609 -5.311
134 1HG LYS 25 1HG LYS 25 9.347 -4.409 -4.355
135 2HG LYS 25 2HG LYS 25 8.293 -3.183 -3.650
136 1HD LYS 25 1HD LYS 25 9.706 -4.234 -1.949
137 2HD LYS 25 2HD LYS 25 7.996 -4.564 -1.660
138 1HE LYS 25 1HE LYS 25 9.382 -6.559 -1.320
139 2HE LYS 25 2HE LYS 25 8.236 -6.775 -2.642
140 1HZ LYS 25 1HZ LYS 25 10.865 -5.771 -3.374
141 2HZ LYS 25 2HZ LYS 25 10.809 -7.374 -2.835
142 3HZ LYS 25 3HZ LYS 25 9.875 -6.895 -4.162
143 H VAL 26 H VAL 26 6.357 -3.067 -1.670
144 HA VAL 26 HA VAL 26 4.667 -0.982 -2.326
145 HB VAL 26 HB VAL 26 7.268 -0.906 -0.796
146 1HG1 VAL 26 1HG1 VAL 26 6.313 1.268 -1.570
147 2HG1 VAL 26 2HG1 VAL 26 4.916 0.919 -0.556
148 3HG1 VAL 26 3HG1 VAL 26 6.510 1.095 0.173
149 1HG2 VAL 26 1HG2 VAL 26 4.523 -1.811 -0.131
150 2HG2 VAL 26 2HG2 VAL 26 6.081 -2.396 0.453
151 3HG2 VAL 26 3HG2 VAL 26 5.399 -0.905 1.102
152 H LEU 27 H LEU 27 4.745 0.530 -3.866
153 HA LEU 27 HA LEU 27 7.069 0.695 -5.580
154 1HB LEU 27 1HB LEU 27 4.412 2.113 -5.740
155 2HB LEU 27 2HB LEU 27 5.659 2.155 -6.971
156 HG LEU 27 HG LEU 27 4.150 -0.312 -6.098
157 1HD1 LEU 27 1HD1 LEU 27 3.203 1.721 -7.642
158 2HD1 LEU 27 2HD1 LEU 27 3.909 0.649 -8.852
159 3HD1 LEU 27 3HD1 LEU 27 2.676 0.041 -7.746
160 1HD2 LEU 27 1HD2 LEU 27 6.597 -0.460 -6.981
161 2HD2 LEU 27 2HD2 LEU 27 5.361 -1.538 -7.632
162 3HD2 LEU 27 3HD2 LEU 27 5.854 -0.110 -8.542
163 H ASP 28 H ASP 28 5.130 3.072 -3.710
164 HA ASP 28 HA ASP 28 7.576 4.547 -3.145
165 1HB ASP 28 1HB ASP 28 6.848 5.340 -5.398
166 2HB ASP 28 2HB ASP 28 5.344 5.895 -4.675
167 H ARG 29 H ARG 29 7.422 5.977 -1.429
168 HA ARG 29 HA ARG 29 4.989 5.721 0.181
169 1HB ARG 29 1HB ARG 29 7.104 5.141 1.279
170 2HB ARG 29 2HB ARG 29 7.742 6.740 0.920
171 1HG ARG 29 1HG ARG 29 5.954 7.721 2.318
172 2HG ARG 29 2HG ARG 29 5.434 6.090 2.741
173 1HD ARG 29 1HD ARG 29 7.653 5.649 3.696
174 2HD ARG 29 2HD ARG 29 8.143 7.295 3.297
175 HE ARG 29 HE ARG 29 5.812 7.394 4.854
176 1HH1 ARG 29 1HH1 ARG 29 9.184 6.566 5.145
177 2HH1 ARG 29 2HH1 ARG 29 9.267 6.961 6.829
178 1HH2 ARG 29 1HH2 ARG 29 5.912 7.914 7.071
179 2HH2 ARG 29 2HH2 ARG 29 7.408 7.727 7.924
180 H ARG 30 H ARG 30 3.890 7.521 0.996
181 HA ARG 30 HA ARG 30 4.742 10.183 0.229
182 1HB ARG 30 1HB ARG 30 3.592 9.305 -1.776
183 2HB ARG 30 2HB ARG 30 2.157 9.028 -0.805
184 1HG ARG 30 1HG ARG 30 1.878 11.380 -0.436
185 2HG ARG 30 2HG ARG 30 3.403 11.721 -1.263
186 1HD ARG 30 1HD ARG 30 2.522 10.943 -3.348
187 2HD ARG 30 2HD ARG 30 1.055 10.352 -2.567
188 HE ARG 30 HE ARG 30 1.269 13.073 -2.039
189 1HH1 ARG 30 1HH1 ARG 30 0.785 10.967 -4.772
190 2HH1 ARG 30 2HH1 ARG 30 -0.139 12.127 -5.666
191 1HH2 ARG 30 1HH2 ARG 30 0.052 14.607 -3.209
192 2HH2 ARG 30 2HH2 ARG 30 -0.555 14.196 -4.778
193 H VAL 31 H VAL 31 3.305 11.861 1.065
194 HA VAL 31 HA VAL 31 1.431 11.069 3.140
195 HB VAL 31 HB VAL 31 4.018 12.482 3.724
196 1HG1 VAL 31 1HG1 VAL 31 2.263 13.987 4.522
197 2HG1 VAL 31 2HG1 VAL 31 1.503 12.652 5.390
198 3HG1 VAL 31 3HG1 VAL 31 3.101 13.223 5.872
199 1HG2 VAL 31 1HG2 VAL 31 3.336 9.941 4.103
200 2HG2 VAL 31 2HG2 VAL 31 4.378 10.813 5.228
201 3HG2 VAL 31 3HG2 VAL 31 2.660 10.618 5.585
202 H VAL 32 H VAL 32 -0.136 12.500 3.496
203 HA VAL 32 HA VAL 32 0.061 15.265 2.718
204 HB VAL 32 HB VAL 32 -0.491 14.321 0.552
205 1HG1 VAL 32 1HG1 VAL 32 -2.268 12.639 2.148
206 2HG1 VAL 32 2HG1 VAL 32 -3.010 13.269 0.677
207 3HG1 VAL 32 3HG1 VAL 32 -1.517 12.334 0.582
208 1HG2 VAL 32 1HG2 VAL 32 -2.637 15.817 2.000
209 2HG2 VAL 32 2HG2 VAL 32 -1.523 16.379 0.753
210 3HG2 VAL 32 3HG2 VAL 32 -2.874 15.333 0.321
211 H LYS 33 H LYS 33 -1.109 16.426 4.121
212 HA LYS 33 HA LYS 33 -2.549 16.958 5.801
213 1HB LYS 33 1HB LYS 33 -4.253 16.406 4.092
214 2HB LYS 33 2HB LYS 33 -4.227 14.731 4.618
215 1HG LYS 33 1HG LYS 33 -5.104 15.360 6.783
216 2HG LYS 33 2HG LYS 33 -5.050 17.066 6.334
217 1HD LYS 33 1HD LYS 33 -6.669 14.998 4.852
218 2HD LYS 33 2HD LYS 33 -7.312 15.977 6.170
219 1HE LYS 33 1HE LYS 33 -7.930 17.009 4.101
220 2HE LYS 33 2HE LYS 33 -6.702 18.012 4.870
221 1HZ LYS 33 1HZ LYS 33 -5.926 15.986 2.876
222 2HZ LYS 33 2HZ LYS 33 -6.511 17.492 2.374
223 3HZ LYS 33 3HZ LYS 33 -5.117 17.400 3.329
224 H GLY 34 H GLY 34 -0.411 15.154 6.320
225 1HA GLY 34 1HA GLY 34 -1.342 14.055 8.816
226 2HA GLY 34 2HA GLY 34 0.310 14.038 8.218
227 H LYS 35 H LYS 35 -2.226 12.843 6.194
228 HA LYS 35 HA LYS 35 -2.359 10.189 7.009
229 1HB LYS 35 1HB LYS 35 -2.598 11.177 4.169
230 2HB LYS 35 2HB LYS 35 -3.304 9.722 4.852
231 1HG LYS 35 1HG LYS 35 -4.031 12.549 5.564
232 2HG LYS 35 2HG LYS 35 -4.978 11.437 4.577
233 1HD LYS 35 1HD LYS 35 -4.253 10.995 7.471
234 2HD LYS 35 2HD LYS 35 -5.805 11.614 6.902
235 1HE LYS 35 1HE LYS 35 -4.616 8.923 6.227
236 2HE LYS 35 2HE LYS 35 -5.915 9.216 7.382
237 1HZ LYS 35 1HZ LYS 35 -6.372 10.281 4.732
238 2HZ LYS 35 2HZ LYS 35 -6.299 8.593 4.810
239 3HZ LYS 35 3HZ LYS 35 -7.421 9.435 5.756
240 H VAL 36 H VAL 36 -1.370 8.323 6.276
241 HA VAL 36 HA VAL 36 1.286 8.725 5.054
242 HB VAL 36 HB VAL 36 0.584 6.350 6.754
243 1HG1 VAL 36 1HG1 VAL 36 3.031 7.548 5.598
244 2HG1 VAL 36 2HG1 VAL 36 3.174 6.776 7.177
245 3HG1 VAL 36 3HG1 VAL 36 2.577 5.856 5.796
246 1HG2 VAL 36 1HG2 VAL 36 0.277 8.718 7.871
247 2HG2 VAL 36 2HG2 VAL 36 1.052 7.386 8.730
248 3HG2 VAL 36 3HG2 VAL 36 2.036 8.641 7.972
249 H GLU 37 H GLU 37 0.198 8.490 2.940
250 HA GLU 37 HA GLU 37 -0.951 5.887 2.368
251 1HB GLU 37 1HB GLU 37 -1.452 6.777 0.177
252 2HB GLU 37 2HB GLU 37 -1.936 7.939 1.403
253 1HG GLU 37 1HG GLU 37 0.126 9.210 0.977
254 2HG GLU 37 2HG GLU 37 0.549 8.064 -0.291
255 H TYR 38 H TYR 38 0.108 4.227 1.571
256 HA TYR 38 HA TYR 38 2.795 4.659 0.453
257 1HB TYR 38 1HB TYR 38 1.639 2.396 2.036
258 2HB TYR 38 2HB TYR 38 2.943 2.076 0.904
259 HD1 TYR 38 HD1 TYR 38 2.046 4.126 3.875
260 HD2 TYR 38 HD2 TYR 38 5.162 2.468 1.502
261 HE1 TYR 38 HE1 TYR 38 3.693 4.798 5.573
262 HE2 TYR 38 HE2 TYR 38 6.818 3.137 3.191
263 HH TYR 38 HH TYR 38 6.040 5.241 5.790
264 H LEU 39 H LEU 39 3.336 3.647 -1.473
265 HA LEU 39 HA LEU 39 1.044 3.039 -3.136
266 1HB LEU 39 1HB LEU 39 3.362 4.386 -3.631
267 2HB LEU 39 2HB LEU 39 3.721 2.813 -4.321
268 HG LEU 39 HG LEU 39 1.600 4.768 -5.115
269 1HD1 LEU 39 1HD1 LEU 39 4.084 4.327 -6.083
270 2HD1 LEU 39 2HD1 LEU 39 3.127 3.250 -7.103
271 3HD1 LEU 39 3HD1 LEU 39 2.741 4.970 -7.029
272 1HD2 LEU 39 1HD2 LEU 39 1.196 1.997 -4.891
273 2HD2 LEU 39 2HD2 LEU 39 0.155 3.206 -5.655
274 3HD2 LEU 39 3HD2 LEU 39 1.380 2.365 -6.610
275 H LEU 40 H LEU 40 0.557 1.091 -3.999
276 HA LEU 40 HA LEU 40 2.366 -1.152 -3.405
277 1HB LEU 40 1HB LEU 40 -0.641 -1.196 -3.221
278 2HB LEU 40 2HB LEU 40 0.421 -2.563 -2.964
279 HG LEU 40 HG LEU 40 -0.153 -1.926 -0.843
280 1HD1 LEU 40 1HD1 LEU 40 2.461 -1.652 -1.573
281 2HD1 LEU 40 2HD1 LEU 40 2.150 -0.179 -0.657
282 3HD1 LEU 40 3HD1 LEU 40 1.856 -1.753 0.080
283 1HD2 LEU 40 1HD2 LEU 40 -0.763 0.537 -1.950
284 2HD2 LEU 40 2HD2 LEU 40 -1.040 0.004 -0.288
285 3HD2 LEU 40 3HD2 LEU 40 0.444 0.868 -0.705
286 H LYS 41 H LYS 41 2.702 -2.565 -5.014
287 HA LYS 41 HA LYS 41 1.517 -1.998 -7.608
288 1HB LYS 41 1HB LYS 41 4.020 -2.597 -7.062
289 2HB LYS 41 2HB LYS 41 3.433 -4.252 -7.087
290 1HG LYS 41 1HG LYS 41 3.169 -2.294 -9.361
291 2HG LYS 41 2HG LYS 41 4.412 -3.537 -9.230
292 1HD LYS 41 1HD LYS 41 2.671 -5.265 -9.236
293 2HD LYS 41 2HD LYS 41 1.435 -4.013 -9.377
294 1HE LYS 41 1HE LYS 41 1.918 -5.022 -11.544
295 2HE LYS 41 2HE LYS 41 2.370 -3.318 -11.519
296 1HZ LYS 41 1HZ LYS 41 4.647 -4.531 -10.752
297 2HZ LYS 41 2HZ LYS 41 4.023 -5.655 -11.853
298 3HZ LYS 41 3HZ LYS 41 4.297 -4.057 -12.338
299 H TRP 42 H TRP 42 -0.596 -2.665 -6.481
300 HA TRP 42 HA TRP 42 -1.289 -5.151 -5.638
301 1HB TRP 42 1HB TRP 42 -3.024 -3.555 -7.526
302 2HB TRP 42 2HB TRP 42 -3.551 -4.680 -6.278
303 HD1 TRP 42 HD1 TRP 42 -2.832 -1.073 -6.863
304 HE1 TRP 42 HE1 TRP 42 -3.044 0.248 -4.661
305 HE3 TRP 42 HE3 TRP 42 -3.031 -4.988 -3.573
306 HZ2 TRP 42 HZ2 TRP 42 -3.263 -0.294 -1.888
307 HZ3 TRP 42 HZ3 TRP 42 -3.237 -4.500 -1.171
308 HH2 TRP 42 HH2 TRP 42 -3.346 -2.201 -0.348
309 H LYS 43 H LYS 43 -1.514 -7.131 -6.448
310 HA LYS 43 HA LYS 43 -0.416 -7.807 -8.941
311 1HB LYS 43 1HB LYS 43 -1.224 -10.085 -8.467
312 2HB LYS 43 2HB LYS 43 -0.417 -9.370 -7.078
313 1HG LYS 43 1HG LYS 43 -2.575 -8.865 -6.068
314 2HG LYS 43 2HG LYS 43 -3.398 -9.553 -7.469
315 1HD LYS 43 1HD LYS 43 -1.516 -11.070 -5.663
316 2HD LYS 43 2HD LYS 43 -3.275 -11.102 -5.534
317 1HE LYS 43 1HE LYS 43 -1.666 -11.969 -7.935
318 2HE LYS 43 2HE LYS 43 -2.411 -13.046 -6.754
319 1HZ LYS 43 1HZ LYS 43 -4.504 -11.566 -7.490
320 2HZ LYS 43 2HZ LYS 43 -3.623 -11.567 -8.934
321 3HZ LYS 43 3HZ LYS 43 -4.088 -13.032 -8.226
322 H GLY 44 H GLY 44 -1.275 -8.470 -10.858
323 1HA GLY 44 1HA GLY 44 -4.117 -8.637 -11.277
324 2HA GLY 44 2HA GLY 44 -2.867 -8.790 -12.504
325 H PHE 45 H PHE 45 -3.414 -6.107 -10.274
326 HA PHE 45 HA PHE 45 -4.661 -4.461 -12.232
327 1HB PHE 45 1HB PHE 45 -3.520 -3.849 -9.507
328 2HB PHE 45 2HB PHE 45 -4.320 -2.645 -10.512
329 HD1 PHE 45 HD1 PHE 45 -6.417 -2.153 -9.758
330 HD2 PHE 45 HD2 PHE 45 -5.071 -6.184 -9.552
331 HE1 PHE 45 HE1 PHE 45 -8.598 -2.832 -8.843
332 HE2 PHE 45 HE2 PHE 45 -7.248 -6.870 -8.637
333 HZ PHE 45 HZ PHE 45 -9.016 -5.193 -8.282
334 H SER 46 H SER 46 -3.812 -3.024 -13.603
335 HA SER 46 HA SER 46 -1.098 -3.119 -14.303
336 1HB SER 46 1HB SER 46 -2.843 -2.471 -15.895
337 2HB SER 46 2HB SER 46 -3.166 -1.009 -14.965
338 HG SER 46 HG SER 46 -0.534 -1.363 -15.713
339 H ASP 47 H ASP 47 0.354 -1.168 -14.418
340 HA ASP 47 HA ASP 47 1.073 -0.309 -11.890
341 1HB ASP 47 1HB ASP 47 2.494 1.362 -13.023
342 2HB ASP 47 2HB ASP 47 2.607 -0.220 -13.786
343 H GLU 48 H GLU 48 -0.853 1.409 -14.334
344 HA GLU 48 HA GLU 48 -1.233 3.756 -12.812
345 1HB GLU 48 1HB GLU 48 -2.910 2.568 -15.030
346 2HB GLU 48 2HB GLU 48 -3.093 4.194 -14.393
347 1HG GLU 48 1HG GLU 48 -0.824 4.736 -15.117
348 2HG GLU 48 2HG GLU 48 -0.647 3.106 -15.764
349 H ASP 49 H ASP 49 -2.997 0.729 -13.080
350 HA ASP 49 HA ASP 49 -5.334 1.385 -11.742
351 1HB ASP 49 1HB ASP 49 -3.812 -1.221 -11.838
352 2HB ASP 49 2HB ASP 49 -5.437 -1.056 -11.185
353 H ASN 50 H ASN 50 -2.147 0.642 -10.480
354 HA ASN 50 HA ASN 50 -2.626 -0.016 -7.879
355 1HB ASN 50 1HB ASN 50 -0.500 1.865 -8.921
356 2HB ASN 50 2HB ASN 50 -0.504 1.172 -7.301
357 1HD2 ASN 50 1HD2 ASN 50 1.075 0.915 -9.988
358 2HD2 ASN 50 2HD2 ASN 50 1.348 -0.786 -10.090
359 H THR 51 H THR 51 -3.068 1.023 -5.974
360 HA THR 51 HA THR 51 -3.761 3.868 -6.108
361 HB THR 51 HB THR 51 -5.877 2.725 -6.368
362 HG1 THR 51 HG1 THR 51 -6.553 4.247 -5.069
363 1HG2 THR 51 1HG2 THR 51 -5.104 1.212 -3.871
364 2HG2 THR 51 2HG2 THR 51 -6.711 1.194 -4.598
365 3HG2 THR 51 3HG2 THR 51 -5.333 0.544 -5.487
366 H TRP 52 H TRP 52 -3.101 5.011 -4.406
367 HA TRP 52 HA TRP 52 -1.428 3.805 -2.460
368 1HB TRP 52 1HB TRP 52 -2.539 6.611 -2.425
369 2HB TRP 52 2HB TRP 52 -1.090 6.026 -1.629
370 HD1 TRP 52 HD1 TRP 52 -2.295 6.002 -5.338
371 HE1 TRP 52 HE1 TRP 52 -0.307 6.708 -6.803
372 HE3 TRP 52 HE3 TRP 52 1.186 6.699 -1.673
373 HZ2 TRP 52 HZ2 TRP 52 2.386 7.454 -6.452
374 HZ3 TRP 52 HZ3 TRP 52 3.443 7.400 -2.326
375 HH2 TRP 52 HH2 TRP 52 4.033 7.752 -4.667
376 H GLU 53 H GLU 53 -1.876 3.113 -0.474
377 HA GLU 53 HA GLU 53 -4.528 3.728 0.642
378 1HB GLU 53 1HB GLU 53 -4.496 1.448 -0.247
379 2HB GLU 53 2HB GLU 53 -3.072 1.080 0.714
380 1HG GLU 53 1HG GLU 53 -4.337 1.392 2.748
381 2HG GLU 53 2HG GLU 53 -5.766 1.822 1.818
382 HA PRO 54 HA PRO 54 -2.366 5.248 4.195
383 1HB PRO 54 1HB PRO 54 -4.271 4.511 6.081
384 2HB PRO 54 2HB PRO 54 -4.267 6.020 5.167
385 1HG PRO 54 1HG PRO 54 -5.789 3.500 4.662
386 2HG PRO 54 2HG PRO 54 -6.306 5.186 4.460
387 1HD PRO 54 1HD PRO 54 -5.627 3.691 2.352
388 2HD PRO 54 2HD PRO 54 -5.193 5.412 2.430
389 H GLU 55 H GLU 55 -0.904 4.413 5.536
390 HA GLU 55 HA GLU 55 -0.169 1.767 5.521
391 1HB GLU 55 1HB GLU 55 1.294 3.609 6.222
392 2HB GLU 55 2HB GLU 55 0.352 3.823 7.689
393 1HG GLU 55 1HG GLU 55 1.779 1.261 7.026
394 2HG GLU 55 2HG GLU 55 2.544 2.585 7.901
395 H GLU 56 H GLU 56 -2.437 3.376 7.669
396 HA GLU 56 HA GLU 56 -2.646 1.588 9.745
397 1HB GLU 56 1HB GLU 56 -4.916 3.039 8.373
398 2HB GLU 56 2HB GLU 56 -4.983 2.331 9.981
399 1HG GLU 56 1HG GLU 56 -3.253 3.873 10.738
400 2HG GLU 56 2HG GLU 56 -3.171 4.577 9.124
401 H ASN 57 H ASN 57 -4.479 1.453 6.682
402 HA ASN 57 HA ASN 57 -5.645 -1.084 7.318
403 1HB ASN 57 1HB ASN 57 -5.504 0.385 4.677
404 2HB ASN 57 2HB ASN 57 -6.497 -1.030 5.003
405 1HD2 ASN 57 1HD2 ASN 57 -6.601 2.191 4.700
406 2HD2 ASN 57 2HD2 ASN 57 -7.957 2.554 5.707
407 H LEU 58 H LEU 58 -2.848 0.002 5.523
408 HA LEU 58 HA LEU 58 -2.248 -2.181 3.978
409 1HB LEU 58 1HB LEU 58 -0.245 -0.540 5.522
410 2HB LEU 58 2HB LEU 58 0.088 -1.516 4.104
411 HG LEU 58 HG LEU 58 -1.479 1.047 4.255
412 1HD1 LEU 58 1HD1 LEU 58 1.195 0.474 3.748
413 2HD1 LEU 58 2HD1 LEU 58 0.477 0.790 2.167
414 3HD1 LEU 58 3HD1 LEU 58 0.350 1.995 3.449
415 1HD2 LEU 58 1HD2 LEU 58 -1.479 -1.072 2.157
416 2HD2 LEU 58 2HD2 LEU 58 -2.814 -0.102 2.777
417 3HD2 LEU 58 3HD2 LEU 58 -1.624 0.623 1.698
418 H ASP 59 H ASP 59 -0.754 -3.907 4.218
419 HA ASP 59 HA ASP 59 -0.247 -4.840 6.938
420 1HB ASP 59 1HB ASP 59 -1.762 -6.399 4.838
421 2HB ASP 59 2HB ASP 59 -1.102 -7.111 6.303
422 H CYS 60 H CYS 60 1.625 -3.795 5.232
423 HA CYS 60 HA CYS 60 3.208 -6.178 4.550
424 1HB CYS 60 1HB CYS 60 2.968 -3.655 2.900
425 2HB CYS 60 2HB CYS 60 4.152 -4.924 2.611
426 HG CYS 60 HG CYS 60 2.657 -6.337 1.091
427 HA PRO 61 HA PRO 61 5.353 -2.951 7.351
428 1HB PRO 61 1HB PRO 61 6.062 -4.839 9.244
429 2HB PRO 61 2HB PRO 61 4.657 -3.773 9.361
430 1HG PRO 61 1HG PRO 61 4.810 -6.617 8.453
431 2HG PRO 61 2HG PRO 61 3.582 -5.823 9.458
432 1HD PRO 61 1HD PRO 61 3.141 -6.340 6.868
433 2HD PRO 61 2HD PRO 61 2.532 -4.855 7.629
434 H ASP 62 H ASP 62 6.103 -6.315 6.537
435 HA ASP 62 HA ASP 62 8.899 -6.126 6.788
436 1HB ASP 62 1HB ASP 62 7.659 -8.262 6.691
437 2HB ASP 62 2HB ASP 62 7.290 -7.960 4.997
438 H LEU 63 H LEU 63 6.784 -5.809 3.934
439 HA LEU 63 HA LEU 63 8.862 -5.322 2.092
440 1HB LEU 63 1HB LEU 63 5.980 -4.443 1.970
441 2HB LEU 63 2HB LEU 63 7.103 -4.409 0.626
442 HG LEU 63 HG LEU 63 5.971 -6.835 2.007
443 1HD1 LEU 63 1HD1 LEU 63 4.952 -5.342 -0.011
444 2HD1 LEU 63 2HD1 LEU 63 5.894 -6.534 -0.908
445 3HD1 LEU 63 3HD1 LEU 63 4.642 -7.065 0.214
446 1HD2 LEU 63 1HD2 LEU 63 8.534 -6.586 0.841
447 2HD2 LEU 63 2HD2 LEU 63 7.713 -8.055 1.373
448 3HD2 LEU 63 3HD2 LEU 63 7.529 -7.494 -0.289
449 H ILE 64 H ILE 64 6.794 -3.109 3.943
450 HA ILE 64 HA ILE 64 7.648 -0.702 2.876
451 HB ILE 64 HB ILE 64 6.884 -1.302 5.740
452 1HG1 ILE 64 1HG1 ILE 64 5.265 -0.159 3.450
453 2HG1 ILE 64 2HG1 ILE 64 5.169 -1.822 4.018
454 1HG2 ILE 64 1HG2 ILE 64 7.657 1.201 4.376
455 2HG2 ILE 64 2HG2 ILE 64 6.232 1.282 5.413
456 3HG2 ILE 64 3HG2 ILE 64 7.777 0.749 6.077
457 1HD1 ILE 64 1HD1 ILE 64 4.566 -0.778 6.290
458 2HD1 ILE 64 2HD1 ILE 64 4.245 0.683 5.356
459 3HD1 ILE 64 3HD1 ILE 64 3.350 -0.797 5.012
460 H ALA 65 H ALA 65 9.135 -2.736 5.336
461 HA ALA 65 HA ALA 65 11.200 -0.950 6.076
462 1HB ALA 65 1HB ALA 65 12.056 -3.671 6.307
463 2HB ALA 65 2HB ALA 65 10.367 -3.544 6.800
464 3HB ALA 65 3HB ALA 65 11.592 -2.541 7.579
465 H GLU 66 H GLU 66 11.021 -3.591 3.718
466 HA GLU 66 HA GLU 66 13.670 -3.510 2.813
467 1HB GLU 66 1HB GLU 66 12.100 -5.336 2.287
468 2HB GLU 66 2HB GLU 66 11.173 -4.245 1.264
469 1HG GLU 66 1HG GLU 66 13.109 -3.983 -0.206
470 2HG GLU 66 2HG GLU 66 14.033 -5.080 0.818
471 H PHE 67 H PHE 67 10.820 -1.702 1.834
472 HA PHE 67 HA PHE 67 11.806 -0.460 -0.456
473 1HB PHE 67 1HB PHE 67 9.477 -0.344 0.001
474 2HB PHE 67 2HB PHE 67 9.747 0.369 1.586
475 HD1 PHE 67 HD1 PHE 67 10.632 1.156 -1.970
476 HD2 PHE 67 HD2 PHE 67 9.195 2.556 1.784
477 HE1 PHE 67 HE1 PHE 67 10.358 3.411 -2.918
478 HE2 PHE 67 HE2 PHE 67 8.913 4.807 0.847
479 HZ PHE 67 HZ PHE 67 9.495 5.241 -1.510
480 H LEU 68 H LEU 68 11.888 0.620 2.930
481 HA LEU 68 HA LEU 68 13.220 3.062 2.388
482 1HB LEU 68 1HB LEU 68 13.139 1.516 4.974
483 2HB LEU 68 2HB LEU 68 13.490 3.225 4.785
484 HG LEU 68 HG LEU 68 10.843 1.894 4.204
485 1HD1 LEU 68 1HD1 LEU 68 11.954 3.331 6.544
486 2HD1 LEU 68 2HD1 LEU 68 10.269 3.627 6.113
487 3HD1 LEU 68 3HD1 LEU 68 10.815 1.988 6.468
488 1HD2 LEU 68 1HD2 LEU 68 11.888 4.637 3.719
489 2HD2 LEU 68 2HD2 LEU 68 10.793 3.654 2.745
490 3HD2 LEU 68 3HD2 LEU 68 10.205 4.445 4.209
491 H GLN 69 H GLN 69 14.360 -0.156 3.301
492 HA GLN 69 HA GLN 69 16.989 0.393 3.946
493 1HB GLN 69 1HB GLN 69 15.862 -1.993 2.478
494 2HB GLN 69 2HB GLN 69 17.493 -1.918 3.131
495 1HG GLN 69 1HG GLN 69 16.583 -1.633 5.377
496 2HG GLN 69 2HG GLN 69 14.949 -1.704 4.725
497 1HE2 GLN 69 1HE2 GLN 69 16.740 -3.766 2.903
498 2HE2 GLN 69 2HE2 GLN 69 16.458 -5.235 3.764
499 H SER 70 H SER 70 15.538 0.055 0.749
500 HA SER 70 HA SER 70 17.849 -0.020 -0.797
501 1HB SER 70 1HB SER 70 15.630 -0.427 -1.739
502 2HB SER 70 2HB SER 70 15.181 1.254 -1.455
503 HG SER 70 HG SER 70 16.341 0.252 -3.585
504 H GLN 71 H GLN 71 15.962 2.805 0.261
505 HA GLN 71 HA GLN 71 17.717 4.707 -0.919
506 1HB GLN 71 1HB GLN 71 15.659 5.025 1.267
507 2HB GLN 71 2HB GLN 71 16.472 6.355 0.451
508 1HG GLN 71 1HG GLN 71 15.487 5.684 -1.663
509 2HG GLN 71 2HG GLN 71 14.708 4.311 -0.879
510 1HE2 GLN 71 1HE2 GLN 71 12.649 4.626 -0.519
511 2HE2 GLN 71 2HE2 GLN 71 11.895 6.127 -0.125
512 H LYS 72 H LYS 72 17.144 3.886 2.499
513 HA LYS 72 HA LYS 72 18.426 4.163 4.360
514 1HB LYS 72 1HB LYS 72 19.640 2.335 3.154
515 2HB LYS 72 2HB LYS 72 20.704 3.551 2.468
516 1HG LYS 72 1HG LYS 72 21.876 2.609 4.273
517 2HG LYS 72 2HG LYS 72 21.313 4.180 4.839
518 1HD LYS 72 1HD LYS 72 19.758 1.661 5.364
519 2HD LYS 72 2HD LYS 72 21.073 2.173 6.420
520 1HE LYS 72 1HE LYS 72 19.925 4.296 6.819
521 2HE LYS 72 2HE LYS 72 18.614 3.789 5.755
522 1HZ LYS 72 1HZ LYS 72 18.216 1.913 7.279
523 2HZ LYS 72 2HZ LYS 72 19.391 2.529 8.327
524 3HZ LYS 72 3HZ LYS 72 17.985 3.416 8.019
525 H THR 73 H THR 73 21.422 5.094 3.227
526 HA THR 73 HA THR 73 21.284 7.670 4.331
527 HB THR 73 HB THR 73 23.281 6.624 2.311
528 HG1 THR 73 HG1 THR 73 23.987 6.795 4.975
529 1HG2 THR 73 1HG2 THR 73 23.052 9.182 2.891
530 2HG2 THR 73 2HG2 THR 73 23.902 8.702 4.360
531 3HG2 THR 73 3HG2 THR 73 24.639 8.421 2.783
532 H ALA 74 H ALA 74 20.940 6.483 1.037
533 HA ALA 74 HA ALA 74 19.373 8.700 0.225
534 1HB ALA 74 1HB ALA 74 21.962 9.401 0.217
535 2HB ALA 74 2HB ALA 74 21.838 8.697 -1.396
536 3HB ALA 74 3HB ALA 74 20.783 10.032 -0.933
537 H HIS 75 H HIS 75 21.582 6.162 -0.911
538 HA HIS 75 HA HIS 75 19.544 4.756 -2.278
539 1HB HIS 75 1HB HIS 75 20.001 6.809 -3.784
540 2HB HIS 75 2HB HIS 75 21.525 6.017 -4.165
541 HD1 HIS 75 HD1 HIS 75 20.947 3.266 -4.859
542 HD2 HIS 75 HD2 HIS 75 18.196 6.265 -5.691
543 HE1 HIS 75 HE1 HIS 75 19.473 2.341 -6.673
544 HE2 HIS 75 HE2 HIS 75 17.771 4.146 -7.109
545 H GLU 76 H GLU 76 21.352 3.970 -0.420
546 HA GLU 76 HA GLU 76 23.773 2.924 -1.402
547 1HB GLU 76 1HB GLU 76 23.326 3.227 0.990
548 2HB GLU 76 2HB GLU 76 22.083 1.985 0.923
549 1HG GLU 76 1HG GLU 76 23.788 0.328 0.323
550 2HG GLU 76 2HG GLU 76 25.027 1.578 0.433
551 H THR 77 H THR 77 24.303 1.061 -2.371
552 HA THR 77 HA THR 77 24.127 -0.840 -3.586
553 HB THR 77 HB THR 77 22.782 -2.660 -2.751
554 HG1 THR 77 HG1 THR 77 20.903 -1.247 -2.283
555 1HG2 THR 77 1HG2 THR 77 24.301 -0.960 -0.859
556 2HG2 THR 77 2HG2 THR 77 23.344 -2.270 -0.167
557 3HG2 THR 77 3HG2 THR 77 24.586 -2.625 -1.368
558 H ASP 78 H ASP 78 23.262 -1.450 -5.480
559 HA ASP 78 HA ASP 78 20.522 -1.302 -6.149
560 1HB ASP 78 1HB ASP 78 20.915 1.114 -6.134
561 2HB ASP 78 2HB ASP 78 22.263 0.917 -7.251
562 H LYS 79 H LYS 79 23.793 -0.992 -7.500
563 HA LYS 79 HA LYS 79 23.685 -3.446 -8.871
564 1HB LYS 79 1HB LYS 79 23.645 -2.593 -11.204
565 2HB LYS 79 2HB LYS 79 22.121 -2.359 -10.360
566 1HG LYS 79 1HG LYS 79 22.683 -0.020 -9.973
567 2HG LYS 79 2HG LYS 79 24.227 -0.251 -10.794
568 1HD LYS 79 1HD LYS 79 22.720 0.763 -12.346
569 2HD LYS 79 2HD LYS 79 22.953 -0.912 -12.841
570 1HE LYS 79 1HE LYS 79 20.615 0.064 -11.206
571 2HE LYS 79 2HE LYS 79 20.590 -0.111 -12.959
572 1HZ LYS 79 1HZ LYS 79 21.350 -2.519 -12.394
573 2HZ LYS 79 2HZ LYS 79 20.657 -2.188 -10.887
574 3HZ LYS 79 3HZ LYS 79 19.714 -2.098 -12.288
575 H SER 80 H SER 80 25.293 -2.258 -11.166
576 HA SER 80 HA SER 80 27.487 -1.954 -11.665
577 1HB SER 80 1HB SER 80 27.447 -0.332 -9.107
578 2HB SER 80 2HB SER 80 28.723 -0.285 -10.322
579 HG SER 80 HG SER 80 26.008 0.469 -10.659
580 H1 ALA 1 H1 ALA 1 6.845 -17.164 0.818
581 H2 ALA 1 H2 ALA 1 7.508 -18.704 0.595
582 H3 ALA 1 H3 ALA 1 6.337 -18.451 1.790
583 HA ALA 1 HA ALA 1 8.161 -18.420 3.097
584 1HB ALA 1 1HB ALA 1 10.345 -17.976 2.398
585 2HB ALA 1 2HB ALA 1 9.593 -18.729 0.991
586 3HB ALA 1 3HB ALA 1 9.808 -16.979 1.045
587 H ARG 2 H ARG 2 10.011 -15.943 2.722
588 HA ARG 2 HA ARG 2 8.683 -14.251 4.506
589 1HB ARG 2 1HB ARG 2 10.949 -13.624 2.606
590 2HB ARG 2 2HB ARG 2 10.443 -12.597 3.939
591 1HG ARG 2 1HG ARG 2 11.006 -14.385 5.518
592 2HG ARG 2 2HG ARG 2 11.541 -15.391 4.171
593 1HD ARG 2 1HD ARG 2 12.699 -12.708 4.919
594 2HD ARG 2 2HD ARG 2 13.414 -14.271 5.310
595 HE ARG 2 HE ARG 2 13.674 -12.879 2.877
596 1HH1 ARG 2 1HH1 ARG 2 13.178 -16.108 4.099
597 2HH1 ARG 2 2HH1 ARG 2 13.908 -16.874 2.729
598 1HH2 ARG 2 1HH2 ARG 2 14.636 -13.886 1.073
599 2HH2 ARG 2 2HH2 ARG 2 14.733 -15.613 1.010
600 H THR 3 H THR 3 8.988 -14.086 0.978
601 HA THR 3 HA THR 3 7.732 -11.591 0.653
602 HB THR 3 HB THR 3 9.023 -12.509 -1.159
603 HG1 THR 3 HG1 THR 3 6.435 -12.657 -2.231
604 1HG2 THR 3 1HG2 THR 3 7.611 -14.903 -0.570
605 2HG2 THR 3 2HG2 THR 3 7.270 -14.471 -2.246
606 3HG2 THR 3 3HG2 THR 3 8.938 -14.665 -1.707
607 H GLN 5 H GLN 5 2.391 -11.481 3.033
608 HA GLN 5 HA GLN 5 1.435 -9.676 4.009
609 1HB GLN 5 1HB GLN 5 3.487 -8.103 2.447
610 2HB GLN 5 2HB GLN 5 2.554 -7.511 3.814
611 1HG GLN 5 1HG GLN 5 4.543 -9.768 3.908
612 2HG GLN 5 2HG GLN 5 4.843 -8.113 4.433
613 1HE2 GLN 5 1HE2 GLN 5 4.743 -7.863 6.533
614 2HE2 GLN 5 2HE2 GLN 5 3.731 -8.739 7.626
615 H THR 6 H THR 6 -0.316 -8.404 3.670
616 HA THR 6 HA THR 6 -1.016 -7.798 0.866
617 HB THR 6 HB THR 6 -3.396 -8.048 1.534
618 HG1 THR 6 HG1 THR 6 -2.750 -9.436 3.844
619 1HG2 THR 6 1HG2 THR 6 -1.610 -10.029 0.917
620 2HG2 THR 6 2HG2 THR 6 -2.347 -10.646 2.396
621 3HG2 THR 6 3HG2 THR 6 -3.360 -10.235 1.012
622 H ALA 7 H ALA 7 -3.334 -6.301 1.450
623 HA ALA 7 HA ALA 7 -2.939 -4.277 3.362
624 1HB ALA 7 1HB ALA 7 -1.160 -3.326 2.258
625 2HB ALA 7 2HB ALA 7 -1.772 -3.763 0.662
626 3HB ALA 7 3HB ALA 7 -2.508 -2.428 1.553
627 H ARG 8 H ARG 8 -5.067 -5.816 2.600
628 HA ARG 8 HA ARG 8 -7.199 -5.821 1.707
629 1HB ARG 8 1HB ARG 8 -7.176 -3.173 3.153
630 2HB ARG 8 2HB ARG 8 -8.571 -4.205 2.865
631 1HG ARG 8 1HG ARG 8 -7.649 -5.911 4.315
632 2HG ARG 8 2HG ARG 8 -6.192 -4.945 4.558
633 1HD ARG 8 1HD ARG 8 -7.627 -3.146 5.514
634 2HD ARG 8 2HD ARG 8 -9.001 -4.242 5.398
635 HE ARG 8 HE ARG 8 -7.093 -4.184 7.458
636 1HH1 ARG 8 1HH1 ARG 8 -8.824 -6.471 5.477
637 2HH1 ARG 8 2HH1 ARG 8 -8.786 -7.726 6.670
638 1HH2 ARG 8 1HH2 ARG 8 -7.040 -5.829 9.031
639 2HH2 ARG 8 2HH2 ARG 8 -7.774 -7.361 8.689
640 H SER 10 H SER 10 -7.676 -0.794 1.693
641 HA SER 10 HA SER 10 -8.507 0.982 2.842
642 1HB SER 10 1HB SER 10 -7.675 2.190 0.867
643 2HB SER 10 2HB SER 10 -9.228 1.951 0.065
644 HG SER 10 HG SER 10 -10.165 3.366 1.412
645 H THR 11 H THR 11 -10.235 -1.249 2.596
646 HA THR 11 HA THR 11 -12.364 -1.874 3.089
647 HB THR 11 HB THR 11 -12.818 1.072 3.600
648 HG1 THR 11 HG1 THR 11 -11.413 0.554 5.139
649 1HG2 THR 11 1HG2 THR 11 -14.540 -1.289 3.794
650 2HG2 THR 11 2HG2 THR 11 -14.476 -0.324 5.269
651 3HG2 THR 11 3HG2 THR 11 -14.964 0.422 3.747
652 H GLY 12 H GLY 12 -14.134 -2.372 1.906
653 1HA GLY 12 1HA GLY 12 -15.424 -0.573 0.124
654 2HA GLY 12 2HA GLY 12 -15.693 -2.308 0.216
655 H GLY 13 H GLY 13 -15.657 -2.884 -1.893
656 1HA GLY 13 1HA GLY 13 -13.218 -3.244 -3.210
657 2HA GLY 13 2HA GLY 13 -13.943 -1.775 -3.844
658 H LYS 14 H LYS 14 -14.423 -2.467 -5.877
659 HA LYS 14 HA LYS 14 -15.661 -4.993 -6.399
660 1HB LYS 14 1HB LYS 14 -17.595 -3.811 -5.476
661 2HB LYS 14 2HB LYS 14 -17.352 -2.494 -6.613
662 1HG LYS 14 1HG LYS 14 -19.154 -3.874 -7.380
663 2HG LYS 14 2HG LYS 14 -17.782 -4.065 -8.471
664 1HD LYS 14 1HD LYS 14 -18.768 -6.225 -8.035
665 2HD LYS 14 2HD LYS 14 -17.177 -6.149 -7.277
666 1HE LYS 14 1HE LYS 14 -18.817 -7.190 -5.795
667 2HE LYS 14 2HE LYS 14 -18.213 -5.676 -5.122
668 1HZ LYS 14 1HZ LYS 14 -20.278 -4.663 -6.219
669 2HZ LYS 14 2HZ LYS 14 -20.860 -6.248 -6.293
670 3HZ LYS 14 3HZ LYS 14 -20.488 -5.552 -4.796
671 H ALA 15 H ALA 15 -16.144 -1.830 -7.954
672 HA ALA 15 HA ALA 15 -14.110 -1.990 -9.854
673 1HB ALA 15 1HB ALA 15 -16.563 -3.502 -10.543
674 2HB ALA 15 2HB ALA 15 -14.889 -3.776 -11.024
675 3HB ALA 15 3HB ALA 15 -15.838 -2.517 -11.813
676 HA PRO 16 HA PRO 16 -15.642 2.153 -10.300
677 1HB PRO 16 1HB PRO 16 -14.059 2.256 -12.786
678 2HB PRO 16 2HB PRO 16 -13.901 3.219 -11.315
679 1HG PRO 16 1HG PRO 16 -12.098 1.342 -11.960
680 2HG PRO 16 2HG PRO 16 -12.558 1.653 -10.275
681 1HD PRO 16 1HD PRO 16 -13.444 -0.546 -12.106
682 2HD PRO 16 2HD PRO 16 -13.004 -0.623 -10.387
683 H GLY 17 H GLY 17 -15.499 3.083 -13.218
684 1HA GLY 17 1HA GLY 17 -18.209 2.819 -13.845
685 2HA GLY 17 2HA GLY 17 -17.342 1.577 -14.736
686 H GLY 18 H GLY 18 -16.403 4.913 -13.937
687 1HA GLY 18 1HA GLY 18 -16.938 6.015 -16.470
688 2HA GLY 18 2HA GLY 18 -15.279 5.436 -16.452
No H/Q in entry = 688
Start of MODEL 23
1 H1 HIS 8 H1 HIS 8 -10.185 -1.964 -20.270
2 H2 HIS 8 H2 HIS 8 -8.651 -2.664 -20.398
3 H3 HIS 8 H3 HIS 8 -9.509 -2.244 -21.795
4 HA HIS 8 HA HIS 8 -10.563 -4.168 -21.856
5 1HB HIS 8 1HB HIS 8 -8.807 -4.795 -19.468
6 2HB HIS 8 2HB HIS 8 -9.586 -5.985 -20.507
7 HD1 HIS 8 HD1 HIS 8 -8.860 -5.421 -23.232
8 HD2 HIS 8 HD2 HIS 8 -6.216 -4.539 -20.150
9 HE1 HIS 8 HE1 HIS 8 -6.593 -5.283 -24.310
10 HE2 HIS 8 HE2 HIS 8 -4.997 -4.844 -22.410
11 H MET 9 H MET 9 -10.358 -3.054 -18.499
12 HA MET 9 HA MET 9 -11.857 -3.011 -16.794
13 1HB MET 9 1HB MET 9 -13.863 -3.147 -19.053
14 2HB MET 9 2HB MET 9 -14.239 -2.724 -17.388
15 1HG MET 9 1HG MET 9 -12.812 -0.759 -17.555
16 2HG MET 9 2HG MET 9 -12.408 -1.186 -19.217
17 1HE MET 9 1HE MET 9 -13.149 1.492 -18.612
18 2HE MET 9 2HE MET 9 -13.483 1.312 -20.334
19 3HE MET 9 3HE MET 9 -14.689 2.040 -19.273
20 H VAL 10 H VAL 10 -10.764 -5.477 -17.210
21 HA VAL 10 HA VAL 10 -12.580 -7.593 -17.544
22 HB VAL 10 HB VAL 10 -10.913 -8.993 -16.369
23 1HG1 VAL 10 1HG1 VAL 10 -10.529 -7.466 -18.750
24 2HG1 VAL 10 2HG1 VAL 10 -8.970 -7.703 -17.960
25 3HG1 VAL 10 3HG1 VAL 10 -9.968 -9.095 -18.375
26 1HG2 VAL 10 1HG2 VAL 10 -10.291 -6.850 -14.908
27 2HG2 VAL 10 2HG2 VAL 10 -9.169 -8.188 -15.158
28 3HG2 VAL 10 3HG2 VAL 10 -9.027 -6.723 -16.129
29 H GLU 11 H GLU 11 -13.923 -8.658 -16.180
30 HA GLU 11 HA GLU 11 -13.825 -8.482 -13.355
31 1HB GLU 11 1HB GLU 11 -14.634 -6.202 -13.786
32 2HB GLU 11 2HB GLU 11 -15.984 -6.851 -14.706
33 1HG GLU 11 1HG GLU 11 -16.736 -6.218 -12.520
34 2HG GLU 11 2HG GLU 11 -16.798 -7.973 -12.671
35 H GLU 12 H GLU 12 -15.088 -10.018 -12.408
36 HA GLU 12 HA GLU 12 -17.415 -11.129 -13.585
37 1HB GLU 12 1HB GLU 12 -16.519 -13.391 -14.057
38 2HB GLU 12 2HB GLU 12 -15.870 -12.162 -15.134
39 1HG GLU 12 1HG GLU 12 -13.818 -12.086 -13.811
40 2HG GLU 12 2HG GLU 12 -14.468 -13.322 -12.736
41 H VAL 13 H VAL 13 -14.655 -11.815 -11.459
42 HA VAL 13 HA VAL 13 -16.181 -13.432 -9.663
43 HB VAL 13 HB VAL 13 -14.216 -13.319 -8.187
44 1HG1 VAL 13 1HG1 VAL 13 -14.062 -14.092 -11.031
45 2HG1 VAL 13 2HG1 VAL 13 -12.533 -14.028 -10.154
46 3HG1 VAL 13 3HG1 VAL 13 -13.838 -15.062 -9.575
47 1HG2 VAL 13 1HG2 VAL 13 -13.710 -10.917 -9.603
48 2HG2 VAL 13 2HG2 VAL 13 -12.808 -11.602 -8.251
49 3HG2 VAL 13 3HG2 VAL 13 -12.361 -12.011 -9.906
50 H LEU 14 H LEU 14 -17.140 -12.901 -7.750
51 HA LEU 14 HA LEU 14 -18.076 -10.275 -7.382
52 1HB LEU 14 1HB LEU 14 -18.009 -12.614 -5.476
53 2HB LEU 14 2HB LEU 14 -18.836 -11.108 -5.137
54 HG LEU 14 HG LEU 14 -20.448 -12.732 -5.858
55 1HD1 LEU 14 1HD1 LEU 14 -20.034 -10.261 -7.145
56 2HD1 LEU 14 2HD1 LEU 14 -20.577 -11.401 -8.376
57 3HD1 LEU 14 3HD1 LEU 14 -21.549 -11.138 -6.928
58 1HD2 LEU 14 1HD2 LEU 14 -18.716 -14.091 -7.143
59 2HD2 LEU 14 2HD2 LEU 14 -20.338 -13.992 -7.828
60 3HD2 LEU 14 3HD2 LEU 14 -19.038 -13.003 -8.493
61 H GLU 15 H GLU 15 -17.316 -8.572 -6.274
62 HA GLU 15 HA GLU 15 -14.624 -8.509 -5.424
63 1HB GLU 15 1HB GLU 15 -15.823 -6.530 -6.263
64 2HB GLU 15 2HB GLU 15 -16.853 -6.551 -4.838
65 1HG GLU 15 1HG GLU 15 -14.903 -6.147 -3.421
66 2HG GLU 15 2HG GLU 15 -13.873 -6.122 -4.852
67 H GLU 16 H GLU 16 -13.729 -9.079 -3.566
68 HA GLU 16 HA GLU 16 -15.418 -9.892 -1.351
69 1HB GLU 16 1HB GLU 16 -12.437 -10.104 -1.788
70 2HB GLU 16 2HB GLU 16 -13.275 -10.719 -0.372
71 1HG GLU 16 1HG GLU 16 -13.793 -11.604 -3.202
72 2HG GLU 16 2HG GLU 16 -12.781 -12.458 -2.039
73 H GLU 17 H GLU 17 -15.685 -7.235 -1.600
74 HA GLU 17 HA GLU 17 -15.319 -5.169 -0.684
75 1HB GLU 17 1HB GLU 17 -15.495 -5.190 1.786
76 2HB GLU 17 2HB GLU 17 -16.684 -6.217 1.001
77 1HG GLU 17 1HG GLU 17 -15.341 -8.185 1.537
78 2HG GLU 17 2HG GLU 17 -14.142 -7.153 2.316
79 H GLU 18 H GLU 18 -13.720 -5.363 2.093
80 HA GLU 18 HA GLU 18 -11.311 -4.282 0.999
81 1HB GLU 18 1HB GLU 18 -12.028 -4.953 3.830
82 2HB GLU 18 2HB GLU 18 -10.623 -4.027 3.341
83 1HG GLU 18 1HG GLU 18 -12.074 -2.297 2.428
84 2HG GLU 18 2HG GLU 18 -13.493 -3.233 2.894
85 H GLU 19 H GLU 19 -11.283 -6.665 -0.107
86 HA GLU 19 HA GLU 19 -10.253 -8.839 1.285
87 1HB GLU 19 1HB GLU 19 -11.102 -8.988 -1.008
88 2HB GLU 19 2HB GLU 19 -9.745 -8.028 -1.580
89 1HG GLU 19 1HG GLU 19 -8.203 -9.791 -0.882
90 2HG GLU 19 2HG GLU 19 -9.568 -10.754 -0.316
91 H GLU 20 H GLU 20 -8.219 -9.562 1.764
92 HA GLU 20 HA GLU 20 -6.183 -7.536 2.024
93 1HB GLU 20 1HB GLU 20 -4.925 -9.659 2.989
94 2HB GLU 20 2HB GLU 20 -6.131 -8.790 3.924
95 1HG GLU 20 1HG GLU 20 -6.434 -11.185 4.117
96 2HG GLU 20 2HG GLU 20 -7.813 -10.441 3.312
97 H TYR 21 H TYR 21 -5.785 -7.205 -0.262
98 HA TYR 21 HA TYR 21 -4.850 -9.199 -1.999
99 1HB TYR 21 1HB TYR 21 -4.303 -6.225 -1.958
100 2HB TYR 21 2HB TYR 21 -3.803 -7.289 -3.267
101 HD1 TYR 21 HD1 TYR 21 -5.143 -7.247 -5.130
102 HD2 TYR 21 HD2 TYR 21 -6.938 -6.603 -1.328
103 HE1 TYR 21 HE1 TYR 21 -7.324 -6.931 -6.219
104 HE2 TYR 21 HE2 TYR 21 -9.125 -6.289 -2.406
105 HH TYR 21 HH TYR 21 -10.276 -6.479 -4.332
106 H VAL 22 H VAL 22 -2.839 -9.997 -2.467
107 HA VAL 22 HA VAL 22 -0.957 -10.188 -0.421
108 HB VAL 22 HB VAL 22 -0.479 -10.643 -3.369
109 1HG1 VAL 22 1HG1 VAL 22 1.583 -10.503 -2.055
110 2HG1 VAL 22 2HG1 VAL 22 0.969 -11.744 -0.962
111 3HG1 VAL 22 3HG1 VAL 22 1.301 -12.140 -2.648
112 1HG2 VAL 22 1HG2 VAL 22 -2.420 -11.887 -2.436
113 2HG2 VAL 22 2HG2 VAL 22 -1.113 -12.929 -2.996
114 3HG2 VAL 22 3HG2 VAL 22 -1.328 -12.636 -1.271
115 H VAL 23 H VAL 23 -1.049 -8.051 -3.224
116 HA VAL 23 HA VAL 23 0.036 -6.102 -3.689
117 HB VAL 23 HB VAL 23 1.123 -6.199 -0.875
118 1HG1 VAL 23 1HG1 VAL 23 1.255 -4.291 -3.059
119 2HG1 VAL 23 2HG1 VAL 23 0.594 -3.583 -1.585
120 3HG1 VAL 23 3HG1 VAL 23 2.178 -4.358 -1.557
121 1HG2 VAL 23 1HG2 VAL 23 -1.540 -5.256 -1.900
122 2HG2 VAL 23 2HG2 VAL 23 -1.210 -6.419 -0.614
123 3HG2 VAL 23 3HG2 VAL 23 -0.859 -4.707 -0.370
124 H GLU 24 H GLU 24 1.890 -5.652 -4.734
125 HA GLU 24 HA GLU 24 3.952 -7.652 -4.748
126 1HB GLU 24 1HB GLU 24 3.219 -6.594 -6.827
127 2HB GLU 24 2HB GLU 24 3.739 -5.026 -6.228
128 1HG GLU 24 1HG GLU 24 6.052 -5.810 -6.175
129 2HG GLU 24 2HG GLU 24 5.529 -7.381 -6.783
130 H LYS 25 H LYS 25 4.060 -4.112 -4.260
131 HA LYS 25 HA LYS 25 5.581 -4.104 -1.926
132 1HB LYS 25 1HB LYS 25 7.323 -5.188 -3.284
133 2HB LYS 25 2HB LYS 25 7.249 -3.862 -4.438
134 1HG LYS 25 1HG LYS 25 8.023 -2.318 -2.700
135 2HG LYS 25 2HG LYS 25 8.125 -3.662 -1.563
136 1HD LYS 25 1HD LYS 25 10.323 -3.265 -2.402
137 2HD LYS 25 2HD LYS 25 9.739 -4.758 -3.136
138 1HE LYS 25 1HE LYS 25 9.634 -2.053 -4.465
139 2HE LYS 25 2HE LYS 25 10.921 -3.230 -4.714
140 1HZ LYS 25 1HZ LYS 25 8.873 -4.758 -5.276
141 2HZ LYS 25 2HZ LYS 25 8.153 -3.273 -5.652
142 3HZ LYS 25 3HZ LYS 25 9.569 -3.751 -6.444
143 H VAL 26 H VAL 26 6.018 -1.966 -1.218
144 HA VAL 26 HA VAL 26 4.463 0.054 -2.402
145 HB VAL 26 HB VAL 26 5.637 1.661 -0.935
146 1HG1 VAL 26 1HG1 VAL 26 4.376 -0.810 0.042
147 2HG1 VAL 26 2HG1 VAL 26 5.187 0.204 1.237
148 3HG1 VAL 26 3HG1 VAL 26 3.900 0.878 0.230
149 1HG2 VAL 26 1HG2 VAL 26 7.371 -0.706 -0.416
150 2HG2 VAL 26 2HG2 VAL 26 7.824 0.954 -0.818
151 3HG2 VAL 26 3HG2 VAL 26 7.174 0.577 0.778
152 H LEU 27 H LEU 27 4.849 1.479 -3.951
153 HA LEU 27 HA LEU 27 7.377 1.312 -5.333
154 1HB LEU 27 1HB LEU 27 4.871 2.852 -5.994
155 2HB LEU 27 2HB LEU 27 6.292 2.767 -7.016
156 HG LEU 27 HG LEU 27 4.531 0.432 -6.255
157 1HD1 LEU 27 1HD1 LEU 27 4.791 2.057 -8.772
158 2HD1 LEU 27 2HD1 LEU 27 4.055 0.456 -8.730
159 3HD1 LEU 27 3HD1 LEU 27 3.346 1.775 -7.800
160 1HD2 LEU 27 1HD2 LEU 27 6.902 -0.177 -6.555
161 2HD2 LEU 27 2HD2 LEU 27 5.864 -0.858 -7.807
162 3HD2 LEU 27 3HD2 LEU 27 6.865 0.550 -8.162
163 H ASP 28 H ASP 28 5.843 3.346 -3.011
164 HA ASP 28 HA ASP 28 8.198 5.029 -2.934
165 1HB ASP 28 1HB ASP 28 5.564 6.194 -3.831
166 2HB ASP 28 2HB ASP 28 6.880 7.173 -3.195
167 H ARG 29 H ARG 29 6.870 7.250 -1.625
168 HA ARG 29 HA ARG 29 5.367 6.330 0.609
169 1HB ARG 29 1HB ARG 29 7.406 5.353 1.367
170 2HB ARG 29 2HB ARG 29 8.325 6.795 0.962
171 1HG ARG 29 1HG ARG 29 7.118 8.023 2.728
172 2HG ARG 29 2HG ARG 29 6.287 6.527 3.163
173 1HD ARG 29 1HD ARG 29 8.211 6.973 4.623
174 2HD ARG 29 2HD ARG 29 8.403 5.478 3.709
175 HE ARG 29 HE ARG 29 10.307 6.370 2.854
176 1HH1 ARG 29 1HH1 ARG 29 8.178 9.008 3.685
177 2HH1 ARG 29 2HH1 ARG 29 9.304 10.232 3.205
178 1HH2 ARG 29 1HH2 ARG 29 11.787 7.980 2.222
179 2HH2 ARG 29 2HH2 ARG 29 11.353 9.649 2.375
180 H ARG 30 H ARG 30 4.090 8.022 0.894
181 HA ARG 30 HA ARG 30 5.203 10.602 1.532
182 1HB ARG 30 1HB ARG 30 3.958 11.859 -0.148
183 2HB ARG 30 2HB ARG 30 5.070 10.739 -0.923
184 1HG ARG 30 1HG ARG 30 3.253 9.210 -1.392
185 2HG ARG 30 2HG ARG 30 2.122 10.268 -0.547
186 1HD ARG 30 1HD ARG 30 2.568 12.039 -2.175
187 2HD ARG 30 2HD ARG 30 3.696 10.981 -3.019
188 HE ARG 30 HE ARG 30 1.244 9.664 -2.867
189 1HH1 ARG 30 1HH1 ARG 30 2.613 12.501 -4.356
190 2HH1 ARG 30 2HH1 ARG 30 1.535 12.468 -5.711
191 1HH2 ARG 30 1HH2 ARG 30 -0.180 9.613 -4.648
192 2HH2 ARG 30 2HH2 ARG 30 -0.052 10.828 -5.876
193 H VAL 31 H VAL 31 4.011 11.444 3.156
194 HA VAL 31 HA VAL 31 1.473 10.168 3.769
195 HB VAL 31 HB VAL 31 3.113 10.546 5.585
196 1HG1 VAL 31 1HG1 VAL 31 3.588 12.919 4.496
197 2HG1 VAL 31 2HG1 VAL 31 2.411 13.400 5.720
198 3HG1 VAL 31 3HG1 VAL 31 3.892 12.570 6.197
199 1HG2 VAL 31 1HG2 VAL 31 0.337 11.546 5.643
200 2HG2 VAL 31 2HG2 VAL 31 1.113 10.291 6.609
201 3HG2 VAL 31 3HG2 VAL 31 1.358 11.991 7.011
202 H VAL 32 H VAL 32 -0.483 11.156 3.868
203 HA VAL 32 HA VAL 32 -0.697 13.958 3.066
204 HB VAL 32 HB VAL 32 -2.522 13.435 1.498
205 1HG1 VAL 32 1HG1 VAL 32 0.015 13.515 0.904
206 2HG1 VAL 32 2HG1 VAL 32 -0.202 11.796 0.581
207 3HG1 VAL 32 3HG1 VAL 32 -1.156 12.987 -0.304
208 1HG2 VAL 32 1HG2 VAL 32 -1.999 10.688 2.460
209 2HG2 VAL 32 2HG2 VAL 32 -3.506 11.443 1.945
210 3HG2 VAL 32 3HG2 VAL 32 -2.351 10.869 0.742
211 H LYS 33 H LYS 33 -2.450 15.014 3.918
212 HA LYS 33 HA LYS 33 -3.887 15.496 5.608
213 1HB LYS 33 1HB LYS 33 -6.003 14.257 5.537
214 2HB LYS 33 2HB LYS 33 -5.439 14.687 3.933
215 1HG LYS 33 1HG LYS 33 -4.605 12.388 3.639
216 2HG LYS 33 2HG LYS 33 -5.259 11.975 5.226
217 1HD LYS 33 1HD LYS 33 -7.503 12.502 4.468
218 2HD LYS 33 2HD LYS 33 -6.877 13.017 2.900
219 1HE LYS 33 1HE LYS 33 -6.687 10.233 4.048
220 2HE LYS 33 2HE LYS 33 -7.825 10.758 2.808
221 1HZ LYS 33 1HZ LYS 33 -5.273 11.474 1.957
222 2HZ LYS 33 2HZ LYS 33 -5.175 9.873 2.493
223 3HZ LYS 33 3HZ LYS 33 -6.294 10.299 1.297
224 H GLY 34 H GLY 34 -1.662 14.179 6.593
225 1HA GLY 34 1HA GLY 34 -2.788 13.127 9.045
226 2HA GLY 34 2HA GLY 34 -1.110 13.542 8.762
227 H LYS 35 H LYS 35 -2.759 11.353 6.572
228 HA LYS 35 HA LYS 35 -1.470 9.088 7.903
229 1HB LYS 35 1HB LYS 35 -3.004 7.684 6.670
230 2HB LYS 35 2HB LYS 35 -3.887 8.913 7.555
231 1HG LYS 35 1HG LYS 35 -4.218 10.181 5.547
232 2HG LYS 35 2HG LYS 35 -3.205 9.068 4.630
233 1HD LYS 35 1HD LYS 35 -5.527 8.564 4.208
234 2HD LYS 35 2HD LYS 35 -4.793 7.254 5.135
235 1HE LYS 35 1HE LYS 35 -7.018 7.802 5.982
236 2HE LYS 35 2HE LYS 35 -5.774 8.136 7.185
237 1HZ LYS 35 1HZ LYS 35 -5.861 10.499 6.387
238 2HZ LYS 35 2HZ LYS 35 -7.246 10.088 5.509
239 3HZ LYS 35 3HZ LYS 35 -7.245 9.961 7.197
240 H VAL 36 H VAL 36 0.171 8.083 7.019
241 HA VAL 36 HA VAL 36 1.417 9.069 4.652
242 HB VAL 36 HB VAL 36 2.138 6.440 5.910
243 1HG1 VAL 36 1HG1 VAL 36 3.231 7.918 3.872
244 2HG1 VAL 36 2HG1 VAL 36 4.240 8.341 5.256
245 3HG1 VAL 36 3HG1 VAL 36 4.049 6.652 4.786
246 1HG2 VAL 36 1HG2 VAL 36 2.089 9.026 7.239
247 2HG2 VAL 36 2HG2 VAL 36 2.314 7.407 7.908
248 3HG2 VAL 36 3HG2 VAL 36 3.690 8.285 7.235
249 H GLU 37 H GLU 37 1.025 8.430 2.583
250 HA GLU 37 HA GLU 37 -0.392 5.883 2.188
251 1HB GLU 37 1HB GLU 37 -1.161 6.750 0.050
252 2HB GLU 37 2HB GLU 37 -1.593 7.856 1.345
253 1HG GLU 37 1HG GLU 37 0.318 9.271 0.745
254 2HG GLU 37 2HG GLU 37 0.695 8.175 -0.582
255 H TYR 38 H TYR 38 0.605 4.260 1.242
256 HA TYR 38 HA TYR 38 3.193 4.757 -0.073
257 1HB TYR 38 1HB TYR 38 2.137 2.396 1.455
258 2HB TYR 38 2HB TYR 38 3.506 2.245 0.361
259 HD1 TYR 38 HD1 TYR 38 5.662 2.953 1.000
260 HD2 TYR 38 HD2 TYR 38 2.318 3.926 3.443
261 HE1 TYR 38 HE1 TYR 38 7.193 3.690 2.779
262 HE2 TYR 38 HE2 TYR 38 3.835 4.662 5.233
263 HH TYR 38 HH TYR 38 6.156 4.269 5.957
264 H LEU 39 H LEU 39 3.273 4.529 -2.193
265 HA LEU 39 HA LEU 39 1.110 3.661 -3.760
266 1HB LEU 39 1HB LEU 39 2.928 5.146 -4.562
267 2HB LEU 39 2HB LEU 39 4.040 3.794 -4.504
268 HG LEU 39 HG LEU 39 2.911 2.686 -6.302
269 1HD1 LEU 39 1HD1 LEU 39 0.640 3.681 -5.420
270 2HD1 LEU 39 2HD1 LEU 39 0.954 4.873 -6.680
271 3HD1 LEU 39 3HD1 LEU 39 0.838 3.163 -7.093
272 1HD2 LEU 39 1HD2 LEU 39 3.517 5.583 -6.692
273 2HD2 LEU 39 2HD2 LEU 39 4.415 4.167 -7.239
274 3HD2 LEU 39 3HD2 LEU 39 2.908 4.620 -8.037
275 H LEU 40 H LEU 40 0.669 1.646 -4.735
276 HA LEU 40 HA LEU 40 2.514 -0.541 -4.128
277 1HB LEU 40 1HB LEU 40 -0.369 -0.446 -3.257
278 2HB LEU 40 2HB LEU 40 0.587 -1.917 -3.285
279 HG LEU 40 HG LEU 40 1.338 0.522 -1.674
280 1HD1 LEU 40 1HD1 LEU 40 -0.332 -1.854 -0.981
281 2HD1 LEU 40 2HD1 LEU 40 0.673 -1.072 0.241
282 3HD1 LEU 40 3HD1 LEU 40 -0.585 -0.153 -0.589
283 1HD2 LEU 40 1HD2 LEU 40 2.768 -1.757 -2.428
284 2HD2 LEU 40 2HD2 LEU 40 3.209 -0.549 -1.221
285 3HD2 LEU 40 3HD2 LEU 40 2.317 -1.995 -0.738
286 H LYS 41 H LYS 41 2.702 -1.985 -5.688
287 HA LYS 41 HA LYS 41 1.116 -1.695 -8.086
288 1HB LYS 41 1HB LYS 41 3.654 -2.214 -7.908
289 2HB LYS 41 2HB LYS 41 3.146 -3.866 -7.591
290 1HG LYS 41 1HG LYS 41 2.380 -2.306 -10.049
291 2HG LYS 41 2HG LYS 41 3.752 -3.410 -9.956
292 1HD LYS 41 1HD LYS 41 2.237 -5.255 -9.435
293 2HD LYS 41 2HD LYS 41 0.862 -4.150 -9.497
294 1HE LYS 41 1HE LYS 41 2.713 -4.814 -11.784
295 2HE LYS 41 2HE LYS 41 1.072 -5.422 -11.569
296 1HZ LYS 41 1HZ LYS 41 0.427 -2.963 -11.545
297 2HZ LYS 41 2HZ LYS 41 1.951 -2.682 -12.224
298 3HZ LYS 41 3HZ LYS 41 0.830 -3.658 -13.033
299 H TRP 42 H TRP 42 -0.913 -2.262 -6.987
300 HA TRP 42 HA TRP 42 -1.465 -4.655 -5.741
301 1HB TRP 42 1HB TRP 42 -3.374 -3.183 -7.573
302 2HB TRP 42 2HB TRP 42 -3.793 -4.244 -6.230
303 HD1 TRP 42 HD1 TRP 42 -3.015 -0.664 -7.021
304 HE1 TRP 42 HE1 TRP 42 -2.975 0.727 -4.860
305 HE3 TRP 42 HE3 TRP 42 -3.119 -4.466 -3.602
306 HZ2 TRP 42 HZ2 TRP 42 -2.973 0.276 -2.073
307 HZ3 TRP 42 HZ3 TRP 42 -3.095 -3.897 -1.209
308 HH2 TRP 42 HH2 TRP 42 -3.024 -1.574 -0.461
309 H LYS 43 H LYS 43 -1.457 -6.679 -6.334
310 HA LYS 43 HA LYS 43 -0.608 -7.601 -8.800
311 1HB LYS 43 1HB LYS 43 -0.480 -8.914 -6.737
312 2HB LYS 43 2HB LYS 43 -2.230 -9.067 -6.715
313 1HG LYS 43 1HG LYS 43 -2.127 -10.316 -8.833
314 2HG LYS 43 2HG LYS 43 -0.365 -10.207 -8.785
315 1HD LYS 43 1HD LYS 43 -0.345 -11.426 -6.665
316 2HD LYS 43 2HD LYS 43 -2.106 -11.527 -6.703
317 1HE LYS 43 1HE LYS 43 -1.126 -13.611 -7.464
318 2HE LYS 43 2HE LYS 43 -1.974 -12.814 -8.789
319 1HZ LYS 43 1HZ LYS 43 0.400 -11.842 -9.233
320 2HZ LYS 43 2HZ LYS 43 0.902 -13.227 -8.402
321 3HZ LYS 43 3HZ LYS 43 -0.029 -13.373 -9.808
322 H GLY 44 H GLY 44 -1.541 -8.456 -10.585
323 1HA GLY 44 1HA GLY 44 -4.393 -8.780 -10.814
324 2HA GLY 44 2HA GLY 44 -3.205 -9.033 -12.084
325 H PHE 45 H PHE 45 -3.832 -6.138 -10.144
326 HA PHE 45 HA PHE 45 -5.215 -4.797 -12.234
327 1HB PHE 45 1HB PHE 45 -4.008 -3.776 -9.661
328 2HB PHE 45 2HB PHE 45 -4.966 -2.785 -10.758
329 HD1 PHE 45 HD1 PHE 45 -5.291 -6.185 -9.230
330 HD2 PHE 45 HD2 PHE 45 -7.106 -2.425 -10.047
331 HE1 PHE 45 HE1 PHE 45 -7.353 -6.948 -8.130
332 HE2 PHE 45 HE2 PHE 45 -9.171 -3.180 -8.945
333 HZ PHE 45 HZ PHE 45 -9.297 -5.444 -7.985
334 H SER 46 H SER 46 -4.521 -3.361 -13.720
335 HA SER 46 HA SER 46 -1.903 -3.471 -14.665
336 1HB SER 46 1HB SER 46 -3.783 -2.811 -16.084
337 2HB SER 46 2HB SER 46 -3.995 -1.334 -15.144
338 HG SER 46 HG SER 46 -2.640 -1.415 -17.238
339 H ASP 47 H ASP 47 -0.267 -1.838 -14.782
340 HA ASP 47 HA ASP 47 0.557 -0.810 -12.362
341 1HB ASP 47 1HB ASP 47 1.230 0.235 -15.122
342 2HB ASP 47 2HB ASP 47 2.132 0.591 -13.653
343 H GLU 48 H GLU 48 -1.492 0.679 -14.798
344 HA GLU 48 HA GLU 48 -1.472 3.294 -13.710
345 1HB GLU 48 1HB GLU 48 -3.564 1.926 -15.413
346 2HB GLU 48 2HB GLU 48 -3.452 3.652 -15.121
347 1HG GLU 48 1HG GLU 48 -1.371 1.991 -16.517
348 2HG GLU 48 2HG GLU 48 -2.570 3.009 -17.312
349 H ASP 49 H ASP 49 -3.492 0.453 -13.209
350 HA ASP 49 HA ASP 49 -5.523 1.615 -11.682
351 1HB ASP 49 1HB ASP 49 -4.414 -1.195 -11.568
352 2HB ASP 49 2HB ASP 49 -5.946 -0.680 -10.877
353 H ASN 50 H ASN 50 -2.251 1.005 -10.897
354 HA ASN 50 HA ASN 50 -2.145 0.402 -8.256
355 1HB ASN 50 1HB ASN 50 -0.518 2.393 -9.826
356 2HB ASN 50 2HB ASN 50 -0.154 2.007 -8.147
357 1HD2 ASN 50 1HD2 ASN 50 1.645 0.850 -8.235
358 2HD2 ASN 50 2HD2 ASN 50 1.879 -0.567 -9.195
359 H THR 51 H THR 51 -2.315 1.436 -6.302
360 HA THR 51 HA THR 51 -3.245 4.201 -6.232
361 HB THR 51 HB THR 51 -4.836 1.859 -5.187
362 HG1 THR 51 HG1 THR 51 -6.161 2.354 -6.773
363 1HG2 THR 51 1HG2 THR 51 -5.004 4.775 -4.491
364 2HG2 THR 51 2HG2 THR 51 -6.406 3.710 -4.374
365 3HG2 THR 51 3HG2 THR 51 -4.967 3.379 -3.411
366 H TRP 52 H TRP 52 -2.425 5.277 -4.540
367 HA TRP 52 HA TRP 52 -0.637 4.000 -2.733
368 1HB TRP 52 1HB TRP 52 -1.784 6.797 -2.571
369 2HB TRP 52 2HB TRP 52 -0.334 6.203 -1.780
370 HD1 TRP 52 HD1 TRP 52 -1.516 6.310 -5.494
371 HE1 TRP 52 HE1 TRP 52 0.479 7.095 -6.918
372 HE3 TRP 52 HE3 TRP 52 1.936 6.914 -1.783
373 HZ2 TRP 52 HZ2 TRP 52 3.157 7.883 -6.518
374 HZ3 TRP 52 HZ3 TRP 52 4.183 7.679 -2.383
375 HH2 TRP 52 HH2 TRP 52 4.787 8.158 -4.702
376 H GLU 53 H GLU 53 -1.191 2.913 -0.955
377 HA GLU 53 HA GLU 53 -3.792 3.509 0.285
378 1HB GLU 53 1HB GLU 53 -3.360 1.204 -0.666
379 2HB GLU 53 2HB GLU 53 -2.165 0.988 0.605
380 1HG GLU 53 1HG GLU 53 -4.248 -0.054 1.227
381 2HG GLU 53 2HG GLU 53 -3.912 1.313 2.290
382 HA PRO 54 HA PRO 54 -1.670 5.251 3.783
383 1HB PRO 54 1HB PRO 54 -3.673 4.685 5.630
384 2HB PRO 54 2HB PRO 54 -3.587 6.134 4.624
385 1HG PRO 54 1HG PRO 54 -5.165 3.633 4.221
386 2HG PRO 54 2HG PRO 54 -5.616 5.315 3.885
387 1HD PRO 54 1HD PRO 54 -4.898 3.646 1.918
388 2HD PRO 54 2HD PRO 54 -4.439 5.361 1.884
389 H GLU 55 H GLU 55 -0.336 4.484 5.308
390 HA GLU 55 HA GLU 55 0.337 1.814 5.461
391 1HB GLU 55 1HB GLU 55 1.854 3.597 6.114
392 2HB GLU 55 2HB GLU 55 0.825 4.028 7.471
393 1HG GLU 55 1HG GLU 55 2.118 1.329 7.218
394 2HG GLU 55 2HG GLU 55 2.919 2.701 7.979
395 H GLU 56 H GLU 56 -1.950 3.628 7.431
396 HA GLU 56 HA GLU 56 -2.312 1.915 9.559
397 1HB GLU 56 1HB GLU 56 -4.428 3.498 8.092
398 2HB GLU 56 2HB GLU 56 -4.619 2.801 9.694
399 1HG GLU 56 1HG GLU 56 -2.789 4.211 10.514
400 2HG GLU 56 2HG GLU 56 -2.640 4.929 8.910
401 H ASN 57 H ASN 57 -3.971 1.788 6.404
402 HA ASN 57 HA ASN 57 -5.417 -0.585 7.039
403 1HB ASN 57 1HB ASN 57 -4.818 0.735 4.385
404 2HB ASN 57 2HB ASN 57 -5.868 -0.666 4.569
405 1HD2 ASN 57 1HD2 ASN 57 -6.030 2.439 4.003
406 2HD2 ASN 57 2HD2 ASN 57 -7.470 2.875 4.852
407 H LEU 58 H LEU 58 -2.363 0.092 5.439
408 HA LEU 58 HA LEU 58 -1.826 -2.334 4.248
409 1HB LEU 58 1HB LEU 58 0.215 -0.668 5.713
410 2HB LEU 58 2HB LEU 58 0.512 -1.775 4.388
411 HG LEU 58 HG LEU 58 -0.864 0.900 4.273
412 1HD1 LEU 58 1HD1 LEU 58 1.796 -0.074 3.737
413 2HD1 LEU 58 2HD1 LEU 58 1.081 0.671 2.307
414 3HD1 LEU 58 3HD1 LEU 58 1.195 1.582 3.813
415 1HD2 LEU 58 1HD2 LEU 58 -2.062 -0.782 2.894
416 2HD2 LEU 58 2HD2 LEU 58 -1.328 0.520 1.959
417 3HD2 LEU 58 3HD2 LEU 58 -0.560 -1.066 2.014
418 H ASP 59 H ASP 59 -1.394 -4.321 4.913
419 HA ASP 59 HA ASP 59 -0.803 -4.750 7.770
420 1HB ASP 59 1HB ASP 59 -3.051 -5.578 7.082
421 2HB ASP 59 2HB ASP 59 -2.275 -6.627 5.897
422 H CYS 60 H CYS 60 1.238 -4.204 6.058
423 HA CYS 60 HA CYS 60 2.809 -6.607 6.216
424 1HB CYS 60 1HB CYS 60 3.429 -6.612 3.810
425 2HB CYS 60 2HB CYS 60 1.740 -7.022 4.085
426 HG CYS 60 HG CYS 60 1.158 -5.481 2.083
427 HA PRO 61 HA PRO 61 4.841 -2.342 6.842
428 1HB PRO 61 1HB PRO 61 5.966 -3.999 9.055
429 2HB PRO 61 2HB PRO 61 5.460 -2.306 9.063
430 1HG PRO 61 1HG PRO 61 3.932 -4.170 10.180
431 2HG PRO 61 2HG PRO 61 3.207 -2.843 9.251
432 1HD PRO 61 1HD PRO 61 3.616 -5.700 8.481
433 2HD PRO 61 2HD PRO 61 2.272 -4.606 8.092
434 H ASP 62 H ASP 62 5.860 -5.671 6.649
435 HA ASP 62 HA ASP 62 8.607 -5.442 6.513
436 1HB ASP 62 1HB ASP 62 6.820 -7.316 4.951
437 2HB ASP 62 2HB ASP 62 8.557 -7.515 5.160
438 H LEU 63 H LEU 63 6.222 -4.874 3.948
439 HA LEU 63 HA LEU 63 8.142 -4.559 1.881
440 1HB LEU 63 1HB LEU 63 5.327 -3.486 2.050
441 2HB LEU 63 2HB LEU 63 6.303 -3.578 0.595
442 HG LEU 63 HG LEU 63 5.277 -5.924 2.197
443 1HD1 LEU 63 1HD1 LEU 63 4.353 -4.489 -0.218
444 2HD1 LEU 63 2HD1 LEU 63 4.236 -6.248 -0.223
445 3HD1 LEU 63 3HD1 LEU 63 3.429 -5.315 1.038
446 1HD2 LEU 63 1HD2 LEU 63 7.584 -5.991 0.883
447 2HD2 LEU 63 2HD2 LEU 63 6.461 -7.352 0.874
448 3HD2 LEU 63 3HD2 LEU 63 6.502 -6.232 -0.488
449 H ILE 64 H ILE 64 6.511 -2.340 4.085
450 HA ILE 64 HA ILE 64 7.375 0.076 2.978
451 HB ILE 64 HB ILE 64 6.815 -0.630 5.863
452 1HG1 ILE 64 1HG1 ILE 64 4.740 0.743 5.409
453 2HG1 ILE 64 2HG1 ILE 64 5.188 0.729 3.709
454 1HG2 ILE 64 1HG2 ILE 64 8.166 1.635 4.889
455 2HG2 ILE 64 2HG2 ILE 64 6.540 2.163 5.322
456 3HG2 ILE 64 3HG2 ILE 64 7.553 1.354 6.519
457 1HD1 ILE 64 1HD1 ILE 64 5.050 -1.899 5.029
458 2HD1 ILE 64 2HD1 ILE 64 3.523 -1.041 4.824
459 3HD1 ILE 64 3HD1 ILE 64 4.527 -1.401 3.419
460 H ALA 65 H ALA 65 8.862 -1.995 5.442
461 HA ALA 65 HA ALA 65 11.164 -0.414 5.852
462 1HB ALA 65 1HB ALA 65 11.637 -3.245 6.236
463 2HB ALA 65 2HB ALA 65 10.105 -2.737 6.947
464 3HB ALA 65 3HB ALA 65 11.604 -1.937 7.419
465 H GLU 66 H GLU 66 10.436 -3.104 3.685
466 HA GLU 66 HA GLU 66 12.959 -3.566 2.613
467 1HB GLU 66 1HB GLU 66 11.023 -5.012 2.174
468 2HB GLU 66 2HB GLU 66 10.265 -3.733 1.236
469 1HG GLU 66 1HG GLU 66 11.223 -5.348 -0.250
470 2HG GLU 66 2HG GLU 66 12.130 -3.843 -0.370
471 H PHE 67 H PHE 67 10.519 -1.180 1.786
472 HA PHE 67 HA PHE 67 11.620 -0.159 -0.557
473 1HB PHE 67 1HB PHE 67 9.401 0.408 0.076
474 2HB PHE 67 2HB PHE 67 9.929 1.083 1.607
475 HD1 PHE 67 HD1 PHE 67 10.983 1.646 -1.941
476 HD2 PHE 67 HD2 PHE 67 9.495 3.292 1.686
477 HE1 PHE 67 HE1 PHE 67 11.031 3.896 -2.944
478 HE2 PHE 67 HE2 PHE 67 9.537 5.533 0.706
479 HZ PHE 67 HZ PHE 67 10.307 5.847 -1.620
480 H LEU 68 H LEU 68 11.978 1.162 2.758
481 HA LEU 68 HA LEU 68 13.832 3.138 2.089
482 1HB LEU 68 1HB LEU 68 13.284 1.696 4.672
483 2HB LEU 68 2HB LEU 68 14.406 3.037 4.551
484 HG LEU 68 HG LEU 68 12.607 4.523 3.860
485 1HD1 LEU 68 1HD1 LEU 68 11.257 2.836 2.668
486 2HD1 LEU 68 2HD1 LEU 68 10.749 2.188 4.229
487 3HD1 LEU 68 3HD1 LEU 68 10.311 3.834 3.774
488 1HD2 LEU 68 1HD2 LEU 68 13.095 4.048 6.283
489 2HD2 LEU 68 2HD2 LEU 68 11.494 4.703 5.933
490 3HD2 LEU 68 3HD2 LEU 68 11.691 2.980 6.261
491 H GLN 69 H GLN 69 14.333 -0.200 3.187
492 HA GLN 69 HA GLN 69 17.082 -0.169 3.539
493 1HB GLN 69 1HB GLN 69 15.346 -2.386 2.431
494 2HB GLN 69 2HB GLN 69 17.009 -2.597 2.959
495 1HG GLN 69 1HG GLN 69 16.384 -1.946 5.221
496 2HG GLN 69 2HG GLN 69 14.718 -1.709 4.696
497 1HE2 GLN 69 1HE2 GLN 69 13.430 -3.313 5.206
498 2HE2 GLN 69 2HE2 GLN 69 13.866 -4.980 5.324
499 H SER 70 H SER 70 15.194 -0.459 0.586
500 HA SER 70 HA SER 70 17.319 -1.030 -1.177
501 1HB SER 70 1HB SER 70 14.922 -1.299 -1.772
502 2HB SER 70 2HB SER 70 14.740 0.458 -1.755
503 HG SER 70 HG SER 70 16.812 -0.174 -3.307
504 H GLN 71 H GLN 71 15.824 1.987 -0.119
505 HA GLN 71 HA GLN 71 17.630 3.624 -1.671
506 1HB GLN 71 1HB GLN 71 15.706 4.486 0.490
507 2HB GLN 71 2HB GLN 71 16.389 5.479 -0.794
508 1HG GLN 71 1HG GLN 71 15.147 4.271 -2.459
509 2HG GLN 71 2HG GLN 71 14.552 3.140 -1.245
510 1HE2 GLN 71 1HE2 GLN 71 13.613 5.574 -3.091
511 2HE2 GLN 71 2HE2 GLN 71 12.403 6.291 -2.093
512 H LYS 72 H LYS 72 18.992 1.907 0.131
513 HA LYS 72 HA LYS 72 19.694 3.148 2.556
514 1HB LYS 72 1HB LYS 72 20.195 0.789 2.053
515 2HB LYS 72 2HB LYS 72 21.346 1.297 0.822
516 1HG LYS 72 1HG LYS 72 22.737 2.337 2.517
517 2HG LYS 72 2HG LYS 72 21.569 1.903 3.764
518 1HD LYS 72 1HD LYS 72 23.350 0.313 3.846
519 2HD LYS 72 2HD LYS 72 21.938 -0.497 3.167
520 1HE LYS 72 1HE LYS 72 24.158 0.690 1.508
521 2HE LYS 72 2HE LYS 72 24.106 -0.998 2.012
522 1HZ LYS 72 1HZ LYS 72 21.667 -0.604 0.897
523 2HZ LYS 72 2HZ LYS 72 22.674 0.329 -0.093
524 3HZ LYS 72 3HZ LYS 72 22.992 -1.318 0.126
525 H THR 73 H THR 73 20.714 5.001 2.878
526 HA THR 73 HA THR 73 21.749 6.985 2.359
527 HB THR 73 HB THR 73 23.577 5.632 3.273
528 HG1 THR 73 HG1 THR 73 25.306 6.796 2.018
529 1HG2 THR 73 1HG2 THR 73 23.951 4.799 0.405
530 2HG2 THR 73 2HG2 THR 73 25.249 4.693 1.594
531 3HG2 THR 73 3HG2 THR 73 23.761 3.775 1.828
532 H ALA 74 H ALA 74 20.131 6.099 0.231
533 HA ALA 74 HA ALA 74 19.648 6.588 -1.929
534 1HB ALA 74 1HB ALA 74 22.059 8.373 -1.661
535 2HB ALA 74 2HB ALA 74 20.365 8.823 -1.459
536 3HB ALA 74 3HB ALA 74 20.972 8.364 -3.050
537 H HIS 75 H HIS 75 19.862 5.263 -3.595
538 HA HIS 75 HA HIS 75 22.022 3.476 -3.846
539 1HB HIS 75 1HB HIS 75 20.960 2.813 -5.981
540 2HB HIS 75 2HB HIS 75 19.800 2.904 -4.661
541 HD1 HIS 75 HD1 HIS 75 18.689 5.551 -4.603
542 HD2 HIS 75 HD2 HIS 75 19.913 3.895 -8.212
543 HE1 HIS 75 HE1 HIS 75 17.466 6.839 -6.383
544 HE2 HIS 75 HE2 HIS 75 18.305 5.889 -8.560
545 H GLU 76 H GLU 76 21.213 6.472 -5.525
546 HA GLU 76 HA GLU 76 23.909 7.049 -6.164
547 1HB GLU 76 1HB GLU 76 23.585 5.307 -7.851
548 2HB GLU 76 2HB GLU 76 22.159 6.137 -8.457
549 1HG GLU 76 1HG GLU 76 24.004 6.556 -9.924
550 2HG GLU 76 2HG GLU 76 23.576 8.050 -9.092
551 H THR 77 H THR 77 24.149 9.180 -6.668
552 HA THR 77 HA THR 77 23.592 11.385 -6.719
553 HB THR 77 HB THR 77 22.035 12.080 -8.485
554 HG1 THR 77 HG1 THR 77 20.408 10.670 -8.612
555 1HG2 THR 77 1HG2 THR 77 24.369 10.509 -8.815
556 2HG2 THR 77 2HG2 THR 77 23.234 10.045 -10.083
557 3HG2 THR 77 3HG2 THR 77 23.714 11.733 -9.904
558 H ASP 78 H ASP 78 20.645 12.117 -7.428
559 HA ASP 78 HA ASP 78 19.033 11.264 -5.286
560 1HB ASP 78 1HB ASP 78 19.018 13.407 -3.980
561 2HB ASP 78 2HB ASP 78 20.502 12.472 -3.832
562 H LYS 79 H LYS 79 19.791 13.822 -7.580
563 HA LYS 79 HA LYS 79 18.497 15.068 -8.974
564 1HB LYS 79 1HB LYS 79 16.501 12.850 -8.484
565 2HB LYS 79 2HB LYS 79 16.372 14.063 -9.750
566 1HG LYS 79 1HG LYS 79 18.440 13.243 -10.754
567 2HG LYS 79 2HG LYS 79 18.575 12.030 -9.482
568 1HD LYS 79 1HD LYS 79 16.218 12.230 -11.349
569 2HD LYS 79 2HD LYS 79 17.621 11.209 -11.660
570 1HE LYS 79 1HE LYS 79 15.899 9.860 -10.677
571 2HE LYS 79 2HE LYS 79 17.194 10.059 -9.499
572 1HZ LYS 79 1HZ LYS 79 14.848 11.848 -9.479
573 2HZ LYS 79 2HZ LYS 79 14.785 10.335 -8.728
574 3HZ LYS 79 3HZ LYS 79 15.916 11.485 -8.220
575 H SER 80 H SER 80 18.569 16.006 -6.427
576 HA SER 80 HA SER 80 16.097 16.416 -5.169
577 1HB SER 80 1HB SER 80 18.218 16.849 -4.033
578 2HB SER 80 2HB SER 80 18.565 18.169 -5.150
579 HG SER 80 HG SER 80 16.880 19.328 -4.288
580 H1 ALA 1 H1 ALA 1 3.885 -20.602 4.241
581 H2 ALA 1 H2 ALA 1 3.421 -22.000 3.410
582 H3 ALA 1 H3 ALA 1 4.640 -21.008 2.782
583 HA ALA 1 HA ALA 1 3.119 -19.249 2.359
584 1HB ALA 1 1HB ALA 1 1.499 -20.519 0.816
585 2HB ALA 1 2HB ALA 1 3.230 -20.681 0.524
586 3HB ALA 1 3HB ALA 1 2.351 -21.966 1.352
587 H ARG 2 H ARG 2 0.315 -20.337 1.732
588 HA ARG 2 HA ARG 2 -1.766 -20.387 2.632
589 1HB ARG 2 1HB ARG 2 -0.767 -21.977 4.290
590 2HB ARG 2 2HB ARG 2 -0.445 -20.607 5.340
591 1HG ARG 2 1HG ARG 2 -3.217 -21.145 4.365
592 2HG ARG 2 2HG ARG 2 -2.555 -22.046 5.726
593 1HD ARG 2 1HD ARG 2 -2.528 -19.042 5.648
594 2HD ARG 2 2HD ARG 2 -3.926 -19.943 6.230
595 HE ARG 2 HE ARG 2 -2.771 -20.453 8.145
596 1HH1 ARG 2 1HH1 ARG 2 -0.561 -19.068 5.830
597 2HH1 ARG 2 2HH1 ARG 2 0.763 -19.009 6.943
598 1HH2 ARG 2 1HH2 ARG 2 -1.035 -20.369 9.609
599 2HH2 ARG 2 2HH2 ARG 2 0.495 -19.745 9.088
600 H THR 3 H THR 3 0.598 -18.275 4.157
601 HA THR 3 HA THR 3 -1.113 -16.002 3.806
602 HB THR 3 HB THR 3 -0.442 -16.857 6.633
603 HG1 THR 3 HG1 THR 3 -3.042 -16.272 6.078
604 1HG2 THR 3 1HG2 THR 3 -0.228 -14.407 6.232
605 2HG2 THR 3 2HG2 THR 3 -1.912 -14.388 5.710
606 3HG2 THR 3 3HG2 THR 3 -1.510 -14.828 7.369
607 H GLN 5 H GLN 5 3.412 -11.879 2.785
608 HA GLN 5 HA GLN 5 2.425 -9.597 4.096
609 1HB GLN 5 1HB GLN 5 3.590 -9.677 1.311
610 2HB GLN 5 2HB GLN 5 3.589 -8.321 2.430
611 1HG GLN 5 1HG GLN 5 5.066 -10.913 2.831
612 2HG GLN 5 2HG GLN 5 5.777 -9.407 2.258
613 1HE2 GLN 5 1HE2 GLN 5 3.585 -8.345 4.366
614 2HE2 GLN 5 2HE2 GLN 5 4.515 -8.337 5.820
615 H THR 6 H THR 6 0.653 -8.392 3.820
616 HA THR 6 HA THR 6 -0.785 -8.341 1.307
617 HB THR 6 HB THR 6 -2.972 -8.942 2.389
618 HG1 THR 6 HG1 THR 6 -2.699 -8.944 4.527
619 1HG2 THR 6 1HG2 THR 6 -1.654 -10.521 0.960
620 2HG2 THR 6 2HG2 THR 6 -0.983 -11.206 2.440
621 3HG2 THR 6 3HG2 THR 6 -2.716 -11.305 2.130
622 H ALA 7 H ALA 7 -1.999 -6.512 1.056
623 HA ALA 7 HA ALA 7 -2.436 -4.791 3.393
624 1HB ALA 7 1HB ALA 7 -0.417 -4.248 1.641
625 2HB ALA 7 2HB ALA 7 -1.261 -3.039 2.610
626 3HB ALA 7 3HB ALA 7 -1.751 -3.328 0.942
627 H ARG 8 H ARG 8 -4.527 -4.303 3.523
628 HA ARG 8 HA ARG 8 -6.294 -4.796 1.305
629 1HB ARG 8 1HB ARG 8 -6.872 -3.664 4.048
630 2HB ARG 8 2HB ARG 8 -8.081 -4.179 2.880
631 1HG ARG 8 1HG ARG 8 -7.279 -6.465 3.021
632 2HG ARG 8 2HG ARG 8 -6.011 -5.965 4.144
633 1HD ARG 8 1HD ARG 8 -8.986 -5.772 4.618
634 2HD ARG 8 2HD ARG 8 -7.898 -6.964 5.329
635 HE ARG 8 HE ARG 8 -6.942 -4.408 5.951
636 1HH1 ARG 8 1HH1 ARG 8 -9.651 -6.478 6.680
637 2HH1 ARG 8 2HH1 ARG 8 -9.921 -5.788 8.245
638 1HH2 ARG 8 1HH2 ARG 8 -7.293 -3.495 8.009
639 2HH2 ARG 8 2HH2 ARG 8 -8.582 -4.092 9.000
640 H SER 10 H SER 10 -7.713 1.111 0.351
641 HA SER 10 HA SER 10 -10.112 0.681 1.684
642 1HB SER 10 1HB SER 10 -8.922 2.817 1.779
643 2HB SER 10 2HB SER 10 -9.277 3.107 0.075
644 HG SER 10 HG SER 10 -10.905 4.137 1.006
645 H THR 11 H THR 11 -11.957 -0.138 0.994
646 HA THR 11 HA THR 11 -13.122 0.676 -1.529
647 HB THR 11 HB THR 11 -13.558 -1.681 -2.253
648 HG1 THR 11 HG1 THR 11 -11.806 -2.182 -0.091
649 1HG2 THR 11 1HG2 THR 11 -11.495 -0.116 -2.908
650 2HG2 THR 11 2HG2 THR 11 -10.602 -1.467 -2.212
651 3HG2 THR 11 3HG2 THR 11 -11.700 -1.741 -3.564
652 H GLY 12 H GLY 12 -13.311 -1.449 1.299
653 1HA GLY 12 1HA GLY 12 -15.048 -1.940 2.714
654 2HA GLY 12 2HA GLY 12 -16.025 -2.042 1.258
655 H GLY 13 H GLY 13 -17.861 -1.024 1.800
656 1HA GLY 13 1HA GLY 13 -19.277 0.740 2.199
657 2HA GLY 13 2HA GLY 13 -17.896 1.806 1.985
658 H LYS 14 H LYS 14 -20.237 1.189 4.057
659 HA LYS 14 HA LYS 14 -18.833 0.933 6.536
660 1HB LYS 14 1HB LYS 14 -18.229 3.249 5.952
661 2HB LYS 14 2HB LYS 14 -19.933 3.656 5.811
662 1HG LYS 14 1HG LYS 14 -20.231 3.105 8.196
663 2HG LYS 14 2HG LYS 14 -18.498 2.797 8.315
664 1HD LYS 14 1HD LYS 14 -19.753 5.421 7.510
665 2HD LYS 14 2HD LYS 14 -19.109 5.047 9.110
666 1HE LYS 14 1HE LYS 14 -16.891 4.707 8.133
667 2HE LYS 14 2HE LYS 14 -17.535 5.075 6.534
668 1HZ LYS 14 1HZ LYS 14 -18.209 7.147 8.323
669 2HZ LYS 14 2HZ LYS 14 -16.544 6.861 8.416
670 3HZ LYS 14 3HZ LYS 14 -17.259 7.223 6.925
671 H ALA 15 H ALA 15 -21.746 2.008 4.858
672 HA ALA 15 HA ALA 15 -23.415 0.288 6.395
673 1HB ALA 15 1HB ALA 15 -22.923 2.803 7.545
674 2HB ALA 15 2HB ALA 15 -24.558 2.871 6.885
675 3HB ALA 15 3HB ALA 15 -24.123 1.607 8.036
676 HA PRO 16 HA PRO 16 -25.633 0.694 2.573
677 1HB PRO 16 1HB PRO 16 -28.017 -0.380 3.391
678 2HB PRO 16 2HB PRO 16 -26.598 -1.341 2.961
679 1HG PRO 16 1HG PRO 16 -27.585 -0.526 5.666
680 2HG PRO 16 2HG PRO 16 -26.942 -2.091 5.132
681 1HD PRO 16 1HD PRO 16 -25.446 -0.346 6.525
682 2HD PRO 16 2HD PRO 16 -24.746 -1.370 5.254
683 H GLY 17 H GLY 17 -27.320 1.633 5.566
684 1HA GLY 17 1HA GLY 17 -27.910 4.236 4.647
685 2HA GLY 17 2HA GLY 17 -28.635 3.454 6.044
686 H GLY 18 H GLY 18 -29.929 1.320 4.860
687 1HA GLY 18 1HA GLY 18 -31.449 1.941 2.581
688 2HA GLY 18 2HA GLY 18 -32.326 2.500 3.997
No H/Q in entry = 688
Start of MODEL 24
1 H1 HIS 8 H1 HIS 8 -18.289 -10.092 -18.208
2 H2 HIS 8 H2 HIS 8 -17.116 -8.884 -18.365
3 H3 HIS 8 H3 HIS 8 -17.025 -9.990 -17.088
4 HA HIS 8 HA HIS 8 -18.355 -8.802 -15.805
5 1HB HIS 8 1HB HIS 8 -18.163 -6.824 -18.092
6 2HB HIS 8 2HB HIS 8 -18.590 -6.431 -16.429
7 HD1 HIS 8 HD1 HIS 8 -15.667 -8.260 -18.064
8 HD2 HIS 8 HD2 HIS 8 -16.455 -5.380 -15.175
9 HE1 HIS 8 HE1 HIS 8 -13.419 -7.566 -17.177
10 HE2 HIS 8 HE2 HIS 8 -13.930 -5.912 -15.346
11 H MET 9 H MET 9 -19.816 -10.635 -17.323
12 HA MET 9 HA MET 9 -22.081 -9.499 -18.580
13 1HB MET 9 1HB MET 9 -21.368 -11.816 -18.969
14 2HB MET 9 2HB MET 9 -21.757 -12.220 -17.302
15 1HG MET 9 1HG MET 9 -24.106 -11.728 -17.722
16 2HG MET 9 2HG MET 9 -23.723 -11.298 -19.388
17 1HE MET 9 1HE MET 9 -25.802 -12.708 -19.349
18 2HE MET 9 2HE MET 9 -25.487 -14.006 -20.500
19 3HE MET 9 3HE MET 9 -25.893 -14.390 -18.827
20 H VAL 10 H VAL 10 -21.487 -10.643 -15.281
21 HA VAL 10 HA VAL 10 -24.123 -10.273 -14.334
22 HB VAL 10 HB VAL 10 -23.146 -10.378 -12.082
23 1HG1 VAL 10 1HG1 VAL 10 -23.433 -12.394 -13.702
24 2HG1 VAL 10 2HG1 VAL 10 -21.669 -12.417 -13.694
25 3HG1 VAL 10 3HG1 VAL 10 -22.561 -12.612 -12.185
26 1HG2 VAL 10 1HG2 VAL 10 -20.863 -9.336 -13.361
27 2HG2 VAL 10 2HG2 VAL 10 -21.062 -9.732 -11.655
28 3HG2 VAL 10 3HG2 VAL 10 -20.423 -10.939 -12.771
29 H GLU 11 H GLU 11 -23.718 -8.740 -11.983
30 HA GLU 11 HA GLU 11 -24.116 -6.111 -13.074
31 1HB GLU 11 1HB GLU 11 -24.640 -5.437 -10.788
32 2HB GLU 11 2HB GLU 11 -25.507 -6.902 -11.221
33 1HG GLU 11 1HG GLU 11 -22.975 -6.838 -9.595
34 2HG GLU 11 2HG GLU 11 -24.601 -6.907 -8.919
35 H GLU 12 H GLU 12 -22.693 -4.529 -13.252
36 HA GLU 12 HA GLU 12 -20.601 -3.598 -13.422
37 1HB GLU 12 1HB GLU 12 -19.840 -2.691 -11.285
38 2HB GLU 12 2HB GLU 12 -21.583 -2.549 -11.446
39 1HG GLU 12 1HG GLU 12 -21.880 -4.492 -10.001
40 2HG GLU 12 2HG GLU 12 -20.130 -4.642 -9.845
41 H VAL 13 H VAL 13 -18.559 -3.881 -11.238
42 HA VAL 13 HA VAL 13 -17.298 -6.292 -12.309
43 HB VAL 13 HB VAL 13 -15.213 -5.411 -11.321
44 1HG1 VAL 13 1HG1 VAL 13 -16.796 -3.654 -13.173
45 2HG1 VAL 13 2HG1 VAL 13 -15.114 -3.312 -12.769
46 3HG1 VAL 13 3HG1 VAL 13 -15.539 -4.825 -13.571
47 1HG2 VAL 13 1HG2 VAL 13 -16.521 -4.141 -9.500
48 2HG2 VAL 13 2HG2 VAL 13 -15.071 -3.390 -10.168
49 3HG2 VAL 13 3HG2 VAL 13 -16.666 -2.861 -10.705
50 H LEU 14 H LEU 14 -16.858 -8.056 -11.108
51 HA LEU 14 HA LEU 14 -18.133 -8.395 -8.597
52 1HB LEU 14 1HB LEU 14 -17.673 -10.174 -10.342
53 2HB LEU 14 2HB LEU 14 -16.008 -10.166 -9.801
54 HG LEU 14 HG LEU 14 -17.401 -12.029 -8.884
55 1HD1 LEU 14 1HD1 LEU 14 -15.480 -10.466 -7.608
56 2HD1 LEU 14 2HD1 LEU 14 -16.738 -10.733 -6.401
57 3HD1 LEU 14 3HD1 LEU 14 -15.971 -12.109 -7.194
58 1HD2 LEU 14 1HD2 LEU 14 -19.359 -10.272 -8.549
59 2HD2 LEU 14 2HD2 LEU 14 -19.210 -11.714 -7.544
60 3HD2 LEU 14 3HD2 LEU 14 -18.637 -10.157 -6.945
61 H GLU 15 H GLU 15 -17.384 -8.216 -6.563
62 HA GLU 15 HA GLU 15 -14.651 -8.352 -5.836
63 1HB GLU 15 1HB GLU 15 -14.319 -6.016 -5.139
64 2HB GLU 15 2HB GLU 15 -14.530 -6.156 -6.879
65 1HG GLU 15 1HG GLU 15 -16.851 -5.438 -6.659
66 2HG GLU 15 2HG GLU 15 -16.643 -5.302 -4.914
67 H GLU 16 H GLU 16 -14.499 -8.852 -3.736
68 HA GLU 16 HA GLU 16 -16.876 -9.150 -2.195
69 1HB GLU 16 1HB GLU 16 -14.867 -10.673 -2.124
70 2HB GLU 16 2HB GLU 16 -14.029 -9.417 -1.224
71 1HG GLU 16 1HG GLU 16 -14.909 -11.111 0.266
72 2HG GLU 16 2HG GLU 16 -15.699 -9.560 0.547
73 H GLU 17 H GLU 17 -14.619 -8.246 0.055
74 HA GLU 17 HA GLU 17 -14.868 -5.420 0.041
75 1HB GLU 17 1HB GLU 17 -17.196 -5.934 0.592
76 2HB GLU 17 2HB GLU 17 -16.671 -6.933 1.939
77 1HG GLU 17 1HG GLU 17 -15.723 -4.965 3.029
78 2HG GLU 17 2HG GLU 17 -16.254 -3.964 1.679
79 H GLU 18 H GLU 18 -13.324 -4.576 1.300
80 HA GLU 18 HA GLU 18 -11.405 -4.563 2.540
81 1HB GLU 18 1HB GLU 18 -13.715 -4.977 4.131
82 2HB GLU 18 2HB GLU 18 -12.371 -5.828 4.883
83 1HG GLU 18 1HG GLU 18 -11.060 -3.766 4.863
84 2HG GLU 18 2HG GLU 18 -12.409 -2.917 4.110
85 H GLU 19 H GLU 19 -11.349 -6.734 0.844
86 HA GLU 19 HA GLU 19 -10.488 -9.031 2.427
87 1HB GLU 19 1HB GLU 19 -11.962 -9.426 0.502
88 2HB GLU 19 2HB GLU 19 -10.770 -8.695 -0.564
89 1HG GLU 19 1HG GLU 19 -9.189 -10.472 -0.027
90 2HG GLU 19 2HG GLU 19 -10.378 -11.206 1.050
91 H GLU 20 H GLU 20 -8.423 -9.993 2.165
92 HA GLU 20 HA GLU 20 -6.292 -8.101 1.900
93 1HB GLU 20 1HB GLU 20 -6.179 -11.108 2.199
94 2HB GLU 20 2HB GLU 20 -4.827 -10.006 2.404
95 1HG GLU 20 1HG GLU 20 -5.965 -8.965 4.301
96 2HG GLU 20 2HG GLU 20 -7.310 -10.087 4.101
97 H TYR 21 H TYR 21 -4.927 -7.764 0.216
98 HA TYR 21 HA TYR 21 -5.231 -9.497 -2.147
99 1HB TYR 21 1HB TYR 21 -5.127 -6.495 -1.989
100 2HB TYR 21 2HB TYR 21 -4.688 -7.347 -3.467
101 HD1 TYR 21 HD1 TYR 21 -6.348 -7.348 -5.052
102 HD2 TYR 21 HD2 TYR 21 -7.462 -7.576 -0.956
103 HE1 TYR 21 HE1 TYR 21 -8.717 -7.429 -5.707
104 HE2 TYR 21 HE2 TYR 21 -9.833 -7.661 -1.598
105 HH TYR 21 HH TYR 21 -10.958 -8.474 -4.378
106 H VAL 22 H VAL 22 -3.419 -10.081 -3.230
107 HA VAL 22 HA VAL 22 -0.944 -10.035 -1.892
108 HB VAL 22 HB VAL 22 -1.498 -10.632 -4.804
109 1HG1 VAL 22 1HG1 VAL 22 0.914 -11.186 -3.085
110 2HG1 VAL 22 2HG1 VAL 22 0.627 -11.933 -4.656
111 3HG1 VAL 22 3HG1 VAL 22 0.836 -10.186 -4.536
112 1HG2 VAL 22 1HG2 VAL 22 -2.142 -12.061 -2.419
113 2HG2 VAL 22 2HG2 VAL 22 -2.439 -12.511 -4.100
114 3HG2 VAL 22 3HG2 VAL 22 -0.921 -12.962 -3.322
115 H VAL 23 H VAL 23 0.940 -8.905 -2.257
116 HA VAL 23 HA VAL 23 1.064 -6.873 -4.307
117 HB VAL 23 HB VAL 23 -0.097 -5.620 -2.610
118 1HG1 VAL 23 1HG1 VAL 23 1.195 -7.211 -0.792
119 2HG1 VAL 23 2HG1 VAL 23 1.970 -5.644 -0.569
120 3HG1 VAL 23 3HG1 VAL 23 0.220 -5.789 -0.415
121 1HG2 VAL 23 1HG2 VAL 23 1.972 -4.697 -3.897
122 2HG2 VAL 23 2HG2 VAL 23 1.240 -3.744 -2.604
123 3HG2 VAL 23 3HG2 VAL 23 2.713 -4.668 -2.296
124 H GLU 24 H GLU 24 3.069 -6.712 -5.044
125 HA GLU 24 HA GLU 24 5.130 -8.338 -3.959
126 1HB GLU 24 1HB GLU 24 4.869 -7.985 -6.362
127 2HB GLU 24 2HB GLU 24 5.236 -6.277 -6.162
128 1HG GLU 24 1HG GLU 24 7.479 -6.856 -5.377
129 2HG GLU 24 2HG GLU 24 7.109 -8.565 -5.597
130 H LYS 25 H LYS 25 4.901 -4.780 -4.340
131 HA LYS 25 HA LYS 25 6.236 -4.276 -1.877
132 1HB LYS 25 1HB LYS 25 8.148 -5.122 -3.208
133 2HB LYS 25 2HB LYS 25 7.859 -3.857 -4.393
134 1HG LYS 25 1HG LYS 25 8.236 -2.195 -2.535
135 2HG LYS 25 2HG LYS 25 8.796 -3.553 -1.555
136 1HD LYS 25 1HD LYS 25 9.968 -2.611 -4.174
137 2HD LYS 25 2HD LYS 25 10.690 -2.435 -2.575
138 1HE LYS 25 1HE LYS 25 10.121 -5.040 -3.989
139 2HE LYS 25 2HE LYS 25 11.703 -4.282 -3.816
140 1HZ LYS 25 1HZ LYS 25 11.466 -4.499 -1.400
141 2HZ LYS 25 2HZ LYS 25 9.993 -5.303 -1.614
142 3HZ LYS 25 3HZ LYS 25 11.428 -6.000 -2.178
143 H VAL 26 H VAL 26 6.213 -2.076 -1.321
144 HA VAL 26 HA VAL 26 4.347 -0.457 -2.692
145 HB VAL 26 HB VAL 26 5.109 1.406 -1.262
146 1HG1 VAL 26 1HG1 VAL 26 3.730 -0.830 -0.552
147 2HG1 VAL 26 2HG1 VAL 26 4.925 -0.683 0.742
148 3HG1 VAL 26 3HG1 VAL 26 3.840 0.664 0.375
149 1HG2 VAL 26 1HG2 VAL 26 7.521 0.375 -1.210
150 2HG2 VAL 26 2HG2 VAL 26 6.904 1.348 0.127
151 3HG2 VAL 26 3HG2 VAL 26 6.905 -0.413 0.243
152 H LEU 27 H LEU 27 4.570 1.083 -4.195
153 HA LEU 27 HA LEU 27 7.024 1.181 -5.641
154 1HB LEU 27 1HB LEU 27 4.454 2.712 -6.000
155 2HB LEU 27 2HB LEU 27 5.814 2.790 -7.102
156 HG LEU 27 HG LEU 27 4.182 0.321 -6.501
157 1HD1 LEU 27 1HD1 LEU 27 3.054 2.103 -7.847
158 2HD1 LEU 27 2HD1 LEU 27 4.332 1.917 -9.048
159 3HD1 LEU 27 3HD1 LEU 27 3.262 0.564 -8.683
160 1HD2 LEU 27 1HD2 LEU 27 6.766 0.290 -7.205
161 2HD2 LEU 27 2HD2 LEU 27 5.602 -0.910 -7.765
162 3HD2 LEU 27 3HD2 LEU 27 6.034 0.449 -8.802
163 H ASP 28 H ASP 28 5.565 3.106 -3.118
164 HA ASP 28 HA ASP 28 7.957 4.589 -2.786
165 1HB ASP 28 1HB ASP 28 6.957 5.604 -4.925
166 2HB ASP 28 2HB ASP 28 5.752 6.331 -3.867
167 H ARG 29 H ARG 29 6.451 7.072 -1.978
168 HA ARG 29 HA ARG 29 4.632 6.401 0.104
169 1HB ARG 29 1HB ARG 29 6.602 5.586 1.243
170 2HB ARG 29 2HB ARG 29 7.495 7.047 0.841
171 1HG ARG 29 1HG ARG 29 5.929 8.344 2.249
172 2HG ARG 29 2HG ARG 29 5.145 6.832 2.714
173 1HD ARG 29 1HD ARG 29 7.259 6.028 3.652
174 2HD ARG 29 2HD ARG 29 8.041 7.540 3.186
175 HE ARG 29 HE ARG 29 5.847 8.188 4.768
176 1HH1 ARG 29 1HH1 ARG 29 8.878 6.498 5.086
177 2HH1 ARG 29 2HH1 ARG 29 9.064 6.884 6.765
178 1HH2 ARG 29 1HH2 ARG 29 6.082 8.697 6.977
179 2HH2 ARG 29 2HH2 ARG 29 7.474 8.131 7.839
180 H ARG 30 H ARG 30 3.559 8.238 0.811
181 HA ARG 30 HA ARG 30 4.750 10.847 0.420
182 1HB ARG 30 1HB ARG 30 3.108 11.719 -1.103
183 2HB ARG 30 2HB ARG 30 3.847 10.296 -1.824
184 1HG ARG 30 1HG ARG 30 1.904 8.961 -1.203
185 2HG ARG 30 2HG ARG 30 1.164 10.381 -0.460
186 1HD ARG 30 1HD ARG 30 1.878 10.057 -3.372
187 2HD ARG 30 2HD ARG 30 0.256 10.001 -2.685
188 HE ARG 30 HE ARG 30 1.461 12.440 -1.990
189 1HH1 ARG 30 1HH1 ARG 30 0.197 10.772 -4.776
190 2HH1 ARG 30 2HH1 ARG 30 -0.224 12.227 -5.616
191 1HH2 ARG 30 1HH2 ARG 30 0.915 14.361 -3.091
192 2HH2 ARG 30 2HH2 ARG 30 0.183 14.267 -4.658
193 H VAL 31 H VAL 31 3.663 12.538 1.446
194 HA VAL 31 HA VAL 31 1.459 11.716 3.224
195 HB VAL 31 HB VAL 31 3.676 13.679 3.853
196 1HG1 VAL 31 1HG1 VAL 31 1.489 14.278 4.833
197 2HG1 VAL 31 2HG1 VAL 31 1.433 12.697 5.613
198 3HG1 VAL 31 3HG1 VAL 31 2.691 13.852 6.051
199 1HG2 VAL 31 1HG2 VAL 31 3.160 10.844 4.697
200 2HG2 VAL 31 2HG2 VAL 31 4.636 11.554 4.041
201 3HG2 VAL 31 3HG2 VAL 31 4.126 11.942 5.684
202 H VAL 32 H VAL 32 -0.355 12.885 3.037
203 HA VAL 32 HA VAL 32 -0.310 15.240 1.312
204 HB VAL 32 HB VAL 32 -2.766 15.072 1.322
205 1HG1 VAL 32 1HG1 VAL 32 -1.042 13.580 -0.073
206 2HG1 VAL 32 2HG1 VAL 32 -1.932 12.293 0.741
207 3HG1 VAL 32 3HG1 VAL 32 -2.790 13.457 -0.267
208 1HG2 VAL 32 1HG2 VAL 32 -2.200 13.101 3.448
209 2HG2 VAL 32 2HG2 VAL 32 -3.587 14.169 3.228
210 3HG2 VAL 32 3HG2 VAL 32 -3.471 12.671 2.305
211 H LYS 33 H LYS 33 -1.304 14.329 4.577
212 HA LYS 33 HA LYS 33 -0.737 16.891 5.650
213 1HB LYS 33 1HB LYS 33 -3.043 17.503 6.315
214 2HB LYS 33 2HB LYS 33 -2.820 17.533 4.571
215 1HG LYS 33 1HG LYS 33 -3.928 15.378 4.371
216 2HG LYS 33 2HG LYS 33 -4.110 15.295 6.125
217 1HD LYS 33 1HD LYS 33 -5.498 17.314 6.070
218 2HD LYS 33 2HD LYS 33 -5.320 17.388 4.316
219 1HE LYS 33 1HE LYS 33 -6.598 15.138 5.868
220 2HE LYS 33 2HE LYS 33 -7.460 16.389 4.974
221 1HZ LYS 33 1HZ LYS 33 -5.532 15.110 3.329
222 2HZ LYS 33 2HZ LYS 33 -6.582 13.970 4.003
223 3HZ LYS 33 3HZ LYS 33 -7.202 15.260 3.101
224 H GLY 34 H GLY 34 0.207 14.513 6.355
225 1HA GLY 34 1HA GLY 34 -1.131 13.975 8.928
226 2HA GLY 34 2HA GLY 34 0.592 13.769 8.628
227 H LYS 35 H LYS 35 -1.773 12.815 6.278
228 HA LYS 35 HA LYS 35 -2.147 10.139 7.071
229 1HB LYS 35 1HB LYS 35 -2.275 11.252 4.265
230 2HB LYS 35 2HB LYS 35 -3.061 9.801 4.865
231 1HG LYS 35 1HG LYS 35 -3.677 12.625 5.686
232 2HG LYS 35 2HG LYS 35 -4.655 11.603 4.635
233 1HD LYS 35 1HD LYS 35 -4.018 11.042 7.532
234 2HD LYS 35 2HD LYS 35 -5.540 11.698 6.928
235 1HE LYS 35 1HE LYS 35 -5.905 9.659 5.630
236 2HE LYS 35 2HE LYS 35 -4.374 9.007 6.212
237 1HZ LYS 35 1HZ LYS 35 -6.039 9.840 8.366
238 2HZ LYS 35 2HZ LYS 35 -6.833 8.709 7.390
239 3HZ LYS 35 3HZ LYS 35 -5.336 8.329 8.078
240 H VAL 36 H VAL 36 -1.259 8.228 6.147
241 HA VAL 36 HA VAL 36 1.421 8.608 4.978
242 HB VAL 36 HB VAL 36 0.742 6.291 6.771
243 1HG1 VAL 36 1HG1 VAL 36 2.951 6.967 5.193
244 2HG1 VAL 36 2HG1 VAL 36 3.447 7.236 6.864
245 3HG1 VAL 36 3HG1 VAL 36 2.827 5.661 6.370
246 1HG2 VAL 36 1HG2 VAL 36 0.549 8.781 7.745
247 2HG2 VAL 36 2HG2 VAL 36 1.155 7.418 8.687
248 3HG2 VAL 36 3HG2 VAL 36 2.287 8.532 7.918
249 H GLU 37 H GLU 37 0.017 8.372 2.968
250 HA GLU 37 HA GLU 37 -0.894 5.672 2.418
251 1HB GLU 37 1HB GLU 37 -1.661 6.600 0.273
252 2HB GLU 37 2HB GLU 37 -2.266 7.518 1.644
253 1HG GLU 37 1HG GLU 37 -0.490 9.183 1.270
254 2HG GLU 37 2HG GLU 37 0.021 8.281 -0.154
255 H TYR 38 H TYR 38 0.141 4.185 1.288
256 HA TYR 38 HA TYR 38 2.690 4.905 -0.011
257 1HB TYR 38 1HB TYR 38 1.838 2.399 1.424
258 2HB TYR 38 2HB TYR 38 3.192 2.407 0.299
259 HD1 TYR 38 HD1 TYR 38 5.305 3.150 0.965
260 HD2 TYR 38 HD2 TYR 38 1.939 3.914 3.446
261 HE1 TYR 38 HE1 TYR 38 6.810 3.899 2.755
262 HE2 TYR 38 HE2 TYR 38 3.430 4.664 5.247
263 HH TYR 38 HH TYR 38 6.892 4.293 5.045
264 H LEU 39 H LEU 39 3.152 4.095 -2.024
265 HA LEU 39 HA LEU 39 0.858 3.231 -3.590
266 1HB LEU 39 1HB LEU 39 2.402 4.999 -4.423
267 2HB LEU 39 2HB LEU 39 3.692 3.812 -4.466
268 HG LEU 39 HG LEU 39 2.587 2.574 -6.202
269 1HD1 LEU 39 1HD1 LEU 39 0.303 2.933 -5.331
270 2HD1 LEU 39 2HD1 LEU 39 0.341 4.558 -6.021
271 3HD1 LEU 39 3HD1 LEU 39 0.441 3.148 -7.077
272 1HD2 LEU 39 1HD2 LEU 39 3.903 4.579 -6.839
273 2HD2 LEU 39 2HD2 LEU 39 2.640 4.158 -7.998
274 3HD2 LEU 39 3HD2 LEU 39 2.399 5.501 -6.877
275 H LEU 40 H LEU 40 0.859 1.232 -4.814
276 HA LEU 40 HA LEU 40 3.018 -0.641 -4.232
277 1HB LEU 40 1HB LEU 40 0.157 -1.326 -3.564
278 2HB LEU 40 2HB LEU 40 1.539 -2.388 -3.415
279 HG LEU 40 HG LEU 40 2.416 -0.551 -1.764
280 1HD1 LEU 40 1HD1 LEU 40 -0.367 0.212 -2.252
281 2HD1 LEU 40 2HD1 LEU 40 0.104 0.120 -0.556
282 3HD1 LEU 40 3HD1 LEU 40 0.996 1.166 -1.663
283 1HD2 LEU 40 1HD2 LEU 40 1.886 -2.849 -1.134
284 2HD2 LEU 40 2HD2 LEU 40 1.324 -1.710 0.089
285 3HD2 LEU 40 3HD2 LEU 40 0.174 -2.433 -1.036
286 H LYS 41 H LYS 41 3.364 -2.121 -5.782
287 HA LYS 41 HA LYS 41 1.850 -1.892 -8.241
288 1HB LYS 41 1HB LYS 41 4.326 -2.012 -8.264
289 2HB LYS 41 2HB LYS 41 4.239 -3.626 -7.571
290 1HG LYS 41 1HG LYS 41 4.632 -3.831 -9.914
291 2HG LYS 41 2HG LYS 41 2.982 -4.360 -9.586
292 1HD LYS 41 1HD LYS 41 3.017 -2.987 -11.579
293 2HD LYS 41 2HD LYS 41 2.162 -2.138 -10.289
294 1HE LYS 41 1HE LYS 41 4.172 -0.831 -9.814
295 2HE LYS 41 2HE LYS 41 5.038 -1.690 -11.087
296 1HZ LYS 41 1HZ LYS 41 3.352 -0.813 -12.664
297 2HZ LYS 41 2HZ LYS 41 2.726 0.141 -11.415
298 3HZ LYS 41 3HZ LYS 41 4.312 0.385 -11.952
299 H TRP 42 H TRP 42 -0.116 -2.773 -7.131
300 HA TRP 42 HA TRP 42 -0.328 -5.337 -6.113
301 1HB TRP 42 1HB TRP 42 -2.458 -3.886 -7.693
302 2HB TRP 42 2HB TRP 42 -2.709 -5.160 -6.502
303 HD1 TRP 42 HD1 TRP 42 -2.161 -1.436 -6.812
304 HE1 TRP 42 HE1 TRP 42 -2.297 -0.353 -4.480
305 HE3 TRP 42 HE3 TRP 42 -2.189 -5.675 -3.954
306 HZ2 TRP 42 HZ2 TRP 42 -2.390 -1.195 -1.783
307 HZ3 TRP 42 HZ3 TRP 42 -2.298 -5.448 -1.507
308 HH2 TRP 42 HH2 TRP 42 -2.396 -3.251 -0.445
309 H LYS 43 H LYS 43 -0.463 -7.321 -6.904
310 HA LYS 43 HA LYS 43 0.358 -7.865 -9.556
311 1HB LYS 43 1HB LYS 43 0.907 -9.369 -7.730
312 2HB LYS 43 2HB LYS 43 -0.798 -9.675 -7.428
313 1HG LYS 43 1HG LYS 43 -0.976 -10.708 -9.660
314 2HG LYS 43 2HG LYS 43 0.759 -10.470 -9.878
315 1HD LYS 43 1HD LYS 43 1.211 -11.885 -7.946
316 2HD LYS 43 2HD LYS 43 -0.522 -12.093 -7.676
317 1HE LYS 43 1HE LYS 43 -0.720 -13.165 -9.877
318 2HE LYS 43 2HE LYS 43 1.015 -12.972 -10.122
319 1HZ LYS 43 1HZ LYS 43 1.318 -14.335 -8.070
320 2HZ LYS 43 2HZ LYS 43 -0.342 -14.661 -8.097
321 3HZ LYS 43 3HZ LYS 43 0.640 -15.172 -9.376
322 H GLY 44 H GLY 44 -0.718 -8.652 -11.309
323 1HA GLY 44 1HA GLY 44 -3.523 -9.288 -11.222
324 2HA GLY 44 2HA GLY 44 -2.499 -9.263 -12.650
325 H PHE 45 H PHE 45 -3.261 -6.701 -10.307
326 HA PHE 45 HA PHE 45 -4.974 -5.333 -12.131
327 1HB PHE 45 1HB PHE 45 -3.742 -4.419 -9.526
328 2HB PHE 45 2HB PHE 45 -4.958 -3.520 -10.428
329 HD1 PHE 45 HD1 PHE 45 -7.126 -3.722 -9.728
330 HD2 PHE 45 HD2 PHE 45 -4.455 -6.969 -9.074
331 HE1 PHE 45 HE1 PHE 45 -8.909 -4.946 -8.554
332 HE2 PHE 45 HE2 PHE 45 -6.233 -8.202 -7.903
333 HZ PHE 45 HZ PHE 45 -8.464 -7.190 -7.642
334 H SER 46 H SER 46 -4.555 -3.685 -13.489
335 HA SER 46 HA SER 46 -2.012 -3.306 -14.535
336 1HB SER 46 1HB SER 46 -4.380 -1.426 -14.658
337 2HB SER 46 2HB SER 46 -2.966 -1.353 -15.708
338 HG SER 46 HG SER 46 -4.073 -2.671 -16.912
339 H ASP 47 H ASP 47 -0.533 -1.577 -14.442
340 HA ASP 47 HA ASP 47 0.134 -0.678 -11.907
341 1HB ASP 47 1HB ASP 47 1.683 0.887 -13.056
342 2HB ASP 47 2HB ASP 47 1.775 -0.755 -13.685
343 H GLU 48 H GLU 48 -1.761 0.933 -14.423
344 HA GLU 48 HA GLU 48 -1.940 3.440 -13.179
345 1HB GLU 48 1HB GLU 48 -3.954 3.746 -14.627
346 2HB GLU 48 2HB GLU 48 -2.512 3.244 -15.489
347 1HG GLU 48 1HG GLU 48 -4.281 2.012 -16.410
348 2HG GLU 48 2HG GLU 48 -3.406 0.891 -15.371
349 H ASP 49 H ASP 49 -3.630 0.453 -12.661
350 HA ASP 49 HA ASP 49 -5.849 1.483 -11.243
351 1HB ASP 49 1HB ASP 49 -5.861 -0.764 -12.201
352 2HB ASP 49 2HB ASP 49 -4.573 -1.254 -11.104
353 H ASN 50 H ASN 50 -2.571 0.705 -10.293
354 HA ASN 50 HA ASN 50 -2.703 0.281 -7.616
355 1HB ASN 50 1HB ASN 50 -0.753 2.152 -8.974
356 2HB ASN 50 2HB ASN 50 -0.541 1.445 -7.377
357 1HD2 ASN 50 1HD2 ASN 50 0.844 1.263 -10.090
358 2HD2 ASN 50 2HD2 ASN 50 1.087 -0.433 -10.301
359 H THR 51 H THR 51 -2.976 1.437 -5.755
360 HA THR 51 HA THR 51 -3.531 4.298 -5.949
361 HB THR 51 HB THR 51 -5.736 3.283 -6.167
362 HG1 THR 51 HG1 THR 51 -5.327 4.346 -3.551
363 1HG2 THR 51 1HG2 THR 51 -4.778 1.276 -4.571
364 2HG2 THR 51 2HG2 THR 51 -5.829 2.157 -3.462
365 3HG2 THR 51 3HG2 THR 51 -6.477 1.524 -4.976
366 H TRP 52 H TRP 52 -2.718 5.410 -4.287
367 HA TRP 52 HA TRP 52 -1.126 4.117 -2.346
368 1HB TRP 52 1HB TRP 52 -2.090 6.984 -2.307
369 2HB TRP 52 2HB TRP 52 -0.688 6.324 -1.484
370 HD1 TRP 52 HD1 TRP 52 -1.851 6.463 -5.204
371 HE1 TRP 52 HE1 TRP 52 0.209 7.039 -6.635
372 HE3 TRP 52 HE3 TRP 52 1.649 6.762 -1.503
373 HZ2 TRP 52 HZ2 TRP 52 2.950 7.569 -6.243
374 HZ3 TRP 52 HZ3 TRP 52 3.961 7.306 -2.109
375 HH2 TRP 52 HH2 TRP 52 4.602 7.698 -4.433
376 H GLU 53 H GLU 53 -1.485 3.718 -0.192
377 HA GLU 53 HA GLU 53 -4.113 4.394 0.905
378 1HB GLU 53 1HB GLU 53 -4.167 1.955 1.765
379 2HB GLU 53 2HB GLU 53 -4.622 2.280 0.101
380 1HG GLU 53 1HG GLU 53 -2.259 1.719 -0.542
381 2HG GLU 53 2HG GLU 53 -2.043 1.136 1.109
382 HA PRO 54 HA PRO 54 -1.961 5.442 4.600
383 1HB PRO 54 1HB PRO 54 -3.905 4.579 6.402
384 2HB PRO 54 2HB PRO 54 -3.840 6.169 5.637
385 1HG PRO 54 1HG PRO 54 -5.442 3.765 4.886
386 2HG PRO 54 2HG PRO 54 -5.893 5.479 4.834
387 1HD PRO 54 1HD PRO 54 -5.246 4.152 2.606
388 2HD PRO 54 2HD PRO 54 -4.755 5.843 2.839
389 H GLU 55 H GLU 55 -0.569 4.497 5.937
390 HA GLU 55 HA GLU 55 0.066 1.794 5.734
391 1HB GLU 55 1HB GLU 55 1.688 3.488 6.376
392 2HB GLU 55 2HB GLU 55 0.813 3.802 7.869
393 1HG GLU 55 1HG GLU 55 1.323 1.555 8.649
394 2HG GLU 55 2HG GLU 55 2.171 1.213 7.142
395 H GLU 56 H GLU 56 -2.199 3.387 7.833
396 HA GLU 56 HA GLU 56 -2.302 1.626 9.967
397 1HB GLU 56 1HB GLU 56 -3.449 3.621 10.244
398 2HB GLU 56 2HB GLU 56 -4.229 3.510 8.673
399 1HG GLU 56 1HG GLU 56 -5.864 3.182 10.348
400 2HG GLU 56 2HG GLU 56 -5.581 1.649 9.532
401 H ASN 57 H ASN 57 -4.253 1.604 6.977
402 HA ASN 57 HA ASN 57 -5.618 -0.803 7.615
403 1HB ASN 57 1HB ASN 57 -5.212 0.585 4.960
404 2HB ASN 57 2HB ASN 57 -6.299 -0.775 5.216
405 1HD2 ASN 57 1HD2 ASN 57 -6.208 2.449 4.904
406 2HD2 ASN 57 2HD2 ASN 57 -7.612 2.888 5.809
407 H LEU 58 H LEU 58 -2.672 -0.081 5.859
408 HA LEU 58 HA LEU 58 -2.292 -2.448 4.489
409 1HB LEU 58 1HB LEU 58 -0.051 -0.937 5.811
410 2HB LEU 58 2HB LEU 58 0.003 -1.866 4.324
411 HG LEU 58 HG LEU 58 -1.180 0.852 4.793
412 1HD1 LEU 58 1HD1 LEU 58 1.014 -0.313 3.195
413 2HD1 LEU 58 2HD1 LEU 58 0.100 1.012 2.469
414 3HD1 LEU 58 3HD1 LEU 58 0.906 1.242 4.022
415 1HD2 LEU 58 1HD2 LEU 58 -2.847 -0.596 3.627
416 2HD2 LEU 58 2HD2 LEU 58 -2.295 0.795 2.695
417 3HD2 LEU 58 3HD2 LEU 58 -1.665 -0.813 2.336
418 H ASP 59 H ASP 59 -1.951 -4.461 5.031
419 HA ASP 59 HA ASP 59 -1.211 -5.095 7.804
420 1HB ASP 59 1HB ASP 59 -3.418 -5.932 6.885
421 2HB ASP 59 2HB ASP 59 -2.493 -6.938 5.774
422 H CYS 60 H CYS 60 0.847 -4.332 6.145
423 HA CYS 60 HA CYS 60 2.519 -6.652 6.219
424 1HB CYS 60 1HB CYS 60 3.115 -6.627 3.808
425 2HB CYS 60 2HB CYS 60 1.449 -7.115 4.098
426 HG CYS 60 HG CYS 60 0.294 -4.789 3.237
427 HA PRO 61 HA PRO 61 4.383 -2.302 6.747
428 1HB PRO 61 1HB PRO 61 5.737 -3.127 9.037
429 2HB PRO 61 2HB PRO 61 4.228 -2.211 9.014
430 1HG PRO 61 1HG PRO 61 4.662 -5.142 9.375
431 2HG PRO 61 2HG PRO 61 3.487 -4.072 10.163
432 1HD PRO 61 1HD PRO 61 2.752 -5.729 8.194
433 2HD PRO 61 2HD PRO 61 2.049 -4.104 8.340
434 H ASP 62 H ASP 62 5.470 -5.606 6.757
435 HA ASP 62 HA ASP 62 8.218 -5.335 6.710
436 1HB ASP 62 1HB ASP 62 6.531 -7.293 5.136
437 2HB ASP 62 2HB ASP 62 8.254 -7.462 5.457
438 H LEU 63 H LEU 63 5.904 -4.895 4.068
439 HA LEU 63 HA LEU 63 7.824 -4.649 2.003
440 1HB LEU 63 1HB LEU 63 5.096 -3.374 2.111
441 2HB LEU 63 2HB LEU 63 6.047 -3.697 0.677
442 HG LEU 63 HG LEU 63 4.736 -5.744 2.465
443 1HD1 LEU 63 1HD1 LEU 63 4.228 -4.804 -0.341
444 2HD1 LEU 63 2HD1 LEU 63 3.488 -6.236 0.374
445 3HD1 LEU 63 3HD1 LEU 63 3.162 -4.641 1.053
446 1HD2 LEU 63 1HD2 LEU 63 6.657 -6.038 0.180
447 2HD2 LEU 63 2HD2 LEU 63 6.676 -6.829 1.757
448 3HD2 LEU 63 3HD2 LEU 63 5.471 -7.291 0.554
449 H ILE 64 H ILE 64 6.125 -2.271 4.006
450 HA ILE 64 HA ILE 64 7.117 0.060 2.867
451 HB ILE 64 HB ILE 64 6.437 -0.479 5.761
452 1HG1 ILE 64 1HG1 ILE 64 4.800 0.770 3.543
453 2HG1 ILE 64 2HG1 ILE 64 4.613 -0.880 4.125
454 1HG2 ILE 64 1HG2 ILE 64 7.351 1.946 4.362
455 2HG2 ILE 64 2HG2 ILE 64 5.960 2.151 5.427
456 3HG2 ILE 64 3HG2 ILE 64 7.471 1.501 6.064
457 1HD1 ILE 64 1HD1 ILE 64 4.452 0.851 6.358
458 2HD1 ILE 64 2HD1 ILE 64 3.405 1.487 5.089
459 3HD1 ILE 64 3HD1 ILE 64 3.196 -0.169 5.658
460 H ALA 65 H ALA 65 8.438 -1.874 5.533
461 HA ALA 65 HA ALA 65 10.732 -0.268 5.946
462 1HB ALA 65 1HB ALA 65 11.524 -2.689 6.849
463 2HB ALA 65 2HB ALA 65 10.498 -1.585 7.767
464 3HB ALA 65 3HB ALA 65 9.772 -2.905 6.849
465 H GLU 66 H GLU 66 10.044 -3.086 3.956
466 HA GLU 66 HA GLU 66 12.629 -3.675 3.077
467 1HB GLU 66 1HB GLU 66 10.639 -5.123 2.723
468 2HB GLU 66 2HB GLU 66 10.038 -3.977 1.532
469 1HG GLU 66 1HG GLU 66 11.070 -5.814 0.400
470 2HG GLU 66 2HG GLU 66 12.067 -4.377 0.182
471 H PHE 67 H PHE 67 10.207 -1.445 1.805
472 HA PHE 67 HA PHE 67 11.585 -0.646 -0.511
473 1HB PHE 67 1HB PHE 67 9.294 -0.166 -0.430
474 2HB PHE 67 2HB PHE 67 9.402 0.542 1.175
475 HD1 PHE 67 HD1 PHE 67 10.835 1.161 -2.232
476 HD2 PHE 67 HD2 PHE 67 9.112 2.777 1.308
477 HE1 PHE 67 HE1 PHE 67 10.928 3.415 -3.218
478 HE2 PHE 67 HE2 PHE 67 9.198 5.029 0.336
479 HZ PHE 67 HZ PHE 67 10.111 5.354 -1.934
480 H LEU 68 H LEU 68 11.479 0.739 2.757
481 HA LEU 68 HA LEU 68 13.084 2.983 2.199
482 1HB LEU 68 1HB LEU 68 12.714 1.552 4.828
483 2HB LEU 68 2HB LEU 68 13.294 3.195 4.614
484 HG LEU 68 HG LEU 68 10.529 2.202 3.913
485 1HD1 LEU 68 1HD1 LEU 68 11.635 3.727 6.240
486 2HD1 LEU 68 2HD1 LEU 68 9.946 3.884 5.755
487 3HD1 LEU 68 3HD1 LEU 68 10.584 2.310 6.233
488 1HD2 LEU 68 1HD2 LEU 68 12.007 4.592 3.176
489 2HD2 LEU 68 2HD2 LEU 68 10.488 3.958 2.544
490 3HD2 LEU 68 3HD2 LEU 68 10.490 4.956 3.999
491 H GLN 69 H GLN 69 13.901 -0.274 3.319
492 HA GLN 69 HA GLN 69 16.557 0.113 4.013
493 1HB GLN 69 1HB GLN 69 15.255 -2.288 2.724
494 2HB GLN 69 2HB GLN 69 16.875 -2.296 3.406
495 1HG GLN 69 1HG GLN 69 14.329 -1.746 4.912
496 2HG GLN 69 2HG GLN 69 15.254 -3.246 4.946
497 1HE2 GLN 69 1HE2 GLN 69 14.640 -0.502 6.595
498 2HE2 GLN 69 2HE2 GLN 69 16.095 -0.371 7.518
499 H SER 70 H SER 70 15.125 -0.274 0.821
500 HA SER 70 HA SER 70 17.413 -0.744 -0.682
501 1HB SER 70 1HB SER 70 14.970 0.872 -1.447
502 2HB SER 70 2HB SER 70 16.168 0.246 -2.579
503 HG SER 70 HG SER 70 15.082 -1.540 -2.555
504 H GLN 71 H GLN 71 15.928 2.394 0.134
505 HA GLN 71 HA GLN 71 18.093 3.880 -1.016
506 1HB GLN 71 1HB GLN 71 15.828 4.748 0.782
507 2HB GLN 71 2HB GLN 71 16.955 5.843 -0.008
508 1HG GLN 71 1HG GLN 71 16.191 5.065 -2.189
509 2HG GLN 71 2HG GLN 71 15.065 3.960 -1.401
510 1HE2 GLN 71 1HE2 GLN 71 13.072 4.664 -1.371
511 2HE2 GLN 71 2HE2 GLN 71 12.568 6.313 -1.281
512 H LYS 72 H LYS 72 16.945 3.397 2.309
513 HA LYS 72 HA LYS 72 17.967 3.607 4.333
514 1HB LYS 72 1HB LYS 72 19.178 1.649 3.323
515 2HB LYS 72 2HB LYS 72 20.443 2.761 2.820
516 1HG LYS 72 1HG LYS 72 20.907 3.320 5.136
517 2HG LYS 72 2HG LYS 72 19.595 2.267 5.668
518 1HD LYS 72 1HD LYS 72 22.055 1.380 4.162
519 2HD LYS 72 2HD LYS 72 21.794 1.193 5.896
520 1HE LYS 72 1HE LYS 72 20.112 -0.030 3.710
521 2HE LYS 72 2HE LYS 72 21.311 -0.878 4.686
522 1HZ LYS 72 1HZ LYS 72 19.850 0.045 6.629
523 2HZ LYS 72 2HZ LYS 72 18.649 0.092 5.439
524 3HZ LYS 72 3HZ LYS 72 19.411 -1.371 5.817
525 H THR 73 H THR 73 17.614 6.005 3.359
526 HA THR 73 HA THR 73 18.244 8.170 3.713
527 HB THR 73 HB THR 73 20.899 7.055 4.648
528 HG1 THR 73 HG1 THR 73 19.154 6.423 5.988
529 1HG2 THR 73 1HG2 THR 73 19.682 9.805 4.937
530 2HG2 THR 73 2HG2 THR 73 21.164 9.261 5.721
531 3HG2 THR 73 3HG2 THR 73 21.090 9.381 3.963
532 H ALA 74 H ALA 74 20.995 6.280 2.454
533 HA ALA 74 HA ALA 74 21.602 8.353 0.518
534 1HB ALA 74 1HB ALA 74 23.564 7.118 0.018
535 2HB ALA 74 2HB ALA 74 22.916 5.654 0.759
536 3HB ALA 74 3HB ALA 74 23.359 7.030 1.768
537 H HIS 75 H HIS 75 22.487 5.764 -1.142
538 HA HIS 75 HA HIS 75 20.114 4.619 -2.120
539 1HB HIS 75 1HB HIS 75 19.783 6.966 -2.945
540 2HB HIS 75 2HB HIS 75 21.240 6.782 -3.915
541 HD1 HIS 75 HD1 HIS 75 19.118 7.410 -5.685
542 HD2 HIS 75 HD2 HIS 75 19.475 3.521 -4.262
543 HE1 HIS 75 HE1 HIS 75 17.825 5.980 -7.301
544 HE2 HIS 75 HE2 HIS 75 18.044 3.634 -6.414
545 H GLU 76 H GLU 76 20.686 2.771 -3.055
546 HA GLU 76 HA GLU 76 23.046 2.592 -4.731
547 1HB GLU 76 1HB GLU 76 22.785 0.956 -2.198
548 2HB GLU 76 2HB GLU 76 23.970 0.661 -3.461
549 1HG GLU 76 1HG GLU 76 24.947 2.866 -3.053
550 2HG GLU 76 2HG GLU 76 23.763 3.147 -1.778
551 H THR 77 H THR 77 20.359 0.949 -3.149
552 HA THR 77 HA THR 77 19.129 -0.892 -3.713
553 HB THR 77 HB THR 77 18.105 0.935 -5.023
554 HG1 THR 77 HG1 THR 77 17.663 -1.007 -6.834
555 1HG2 THR 77 1HG2 THR 77 19.980 1.438 -6.522
556 2HG2 THR 77 2HG2 THR 77 19.763 -0.122 -7.316
557 3HG2 THR 77 3HG2 THR 77 18.502 1.108 -7.427
558 H ASP 78 H ASP 78 19.064 -1.798 -6.667
559 HA ASP 78 HA ASP 78 21.581 -2.891 -7.297
560 1HB ASP 78 1HB ASP 78 21.109 -4.214 -5.233
561 2HB ASP 78 2HB ASP 78 19.660 -4.844 -6.008
562 H LYS 79 H LYS 79 19.887 -1.592 -8.869
563 HA LYS 79 HA LYS 79 17.882 -2.984 -10.194
564 1HB LYS 79 1HB LYS 79 18.318 -0.574 -10.477
565 2HB LYS 79 2HB LYS 79 19.796 -0.947 -11.350
566 1HG LYS 79 1HG LYS 79 18.248 -0.434 -13.011
567 2HG LYS 79 2HG LYS 79 18.310 -2.196 -13.001
568 1HD LYS 79 1HD LYS 79 16.245 -0.671 -11.435
569 2HD LYS 79 2HD LYS 79 16.006 -1.081 -13.133
570 1HE LYS 79 1HE LYS 79 16.526 -3.045 -10.904
571 2HE LYS 79 2HE LYS 79 14.958 -2.716 -11.638
572 1HZ LYS 79 1HZ LYS 79 17.098 -3.453 -13.462
573 2HZ LYS 79 2HZ LYS 79 16.555 -4.679 -12.433
574 3HZ LYS 79 3HZ LYS 79 15.467 -3.902 -13.468
575 H SER 80 H SER 80 17.843 -4.608 -11.606
576 HA SER 80 HA SER 80 18.527 -6.332 -12.919
577 1HB SER 80 1HB SER 80 19.045 -4.512 -14.487
578 2HB SER 80 2HB SER 80 20.648 -4.346 -13.774
579 HG SER 80 HG SER 80 20.715 -5.622 -15.653
580 H1 ALA 1 H1 ALA 1 -1.668 -16.327 6.687
581 H2 ALA 1 H2 ALA 1 -1.727 -14.660 6.402
582 H3 ALA 1 H3 ALA 1 -2.923 -15.671 5.763
583 HA ALA 1 HA ALA 1 -1.688 -16.335 4.042
584 1HB ALA 1 1HB ALA 1 -1.565 -13.729 4.351
585 2HB ALA 1 2HB ALA 1 0.156 -14.056 4.561
586 3HB ALA 1 3HB ALA 1 -0.658 -14.536 3.073
587 H ARG 2 H ARG 2 -0.089 -17.673 3.417
588 HA ARG 2 HA ARG 2 1.658 -18.767 5.338
589 1HB ARG 2 1HB ARG 2 0.835 -20.060 3.434
590 2HB ARG 2 2HB ARG 2 1.711 -19.013 2.325
591 1HG ARG 2 1HG ARG 2 2.897 -21.096 2.631
592 2HG ARG 2 2HG ARG 2 3.830 -19.758 3.305
593 1HD ARG 2 1HD ARG 2 3.015 -20.333 5.547
594 2HD ARG 2 2HD ARG 2 2.102 -21.678 4.866
595 HE ARG 2 HE ARG 2 4.823 -21.704 5.573
596 1HH1 ARG 2 1HH1 ARG 2 2.689 -22.808 3.044
597 2HH1 ARG 2 2HH1 ARG 2 3.702 -24.139 2.599
598 1HH2 ARG 2 1HH2 ARG 2 6.157 -23.452 4.989
599 2HH2 ARG 2 2HH2 ARG 2 5.672 -24.506 3.703
600 H THR 3 H THR 3 2.135 -16.381 2.784
601 HA THR 3 HA THR 3 4.461 -15.343 4.091
602 HB THR 3 HB THR 3 5.553 -17.205 2.986
603 HG1 THR 3 HG1 THR 3 6.822 -15.389 2.983
604 1HG2 THR 3 1HG2 THR 3 3.784 -16.473 0.798
605 2HG2 THR 3 2HG2 THR 3 5.456 -16.670 0.272
606 3HG2 THR 3 3HG2 THR 3 4.633 -17.989 1.104
607 H GLN 5 H GLN 5 2.943 -10.996 0.277
608 HA GLN 5 HA GLN 5 1.934 -10.069 2.825
609 1HB GLN 5 1HB GLN 5 3.201 -8.538 0.545
610 2HB GLN 5 2HB GLN 5 2.856 -7.895 2.145
611 1HG GLN 5 1HG GLN 5 4.759 -10.148 1.539
612 2HG GLN 5 2HG GLN 5 5.212 -8.479 1.877
613 1HE2 GLN 5 1HE2 GLN 5 5.869 -8.142 3.860
614 2HE2 GLN 5 2HE2 GLN 5 5.369 -9.008 5.270
615 H THR 6 H THR 6 0.127 -8.865 3.160
616 HA THR 6 HA THR 6 -1.420 -7.991 0.826
617 HB THR 6 HB THR 6 -3.486 -8.895 1.681
618 HG1 THR 6 HG1 THR 6 -3.659 -9.420 3.723
619 1HG2 THR 6 1HG2 THR 6 -1.222 -10.866 1.555
620 2HG2 THR 6 2HG2 THR 6 -2.898 -11.377 1.746
621 3HG2 THR 6 3HG2 THR 6 -2.410 -10.475 0.311
622 H ALA 7 H ALA 7 -1.931 -5.922 1.056
623 HA ALA 7 HA ALA 7 -1.809 -4.706 3.696
624 1HB ALA 7 1HB ALA 7 -1.590 -3.723 0.923
625 2HB ALA 7 2HB ALA 7 -0.688 -3.269 2.370
626 3HB ALA 7 3HB ALA 7 -2.307 -2.619 2.100
627 H ARG 8 H ARG 8 -4.115 -5.917 1.537
628 HA ARG 8 HA ARG 8 -6.378 -6.108 1.678
629 1HB ARG 8 1HB ARG 8 -6.008 -6.159 4.145
630 2HB ARG 8 2HB ARG 8 -6.206 -4.412 4.171
631 1HG ARG 8 1HG ARG 8 -8.487 -4.708 3.246
632 2HG ARG 8 2HG ARG 8 -8.273 -6.454 3.389
633 1HD ARG 8 1HD ARG 8 -8.212 -4.443 5.636
634 2HD ARG 8 2HD ARG 8 -9.499 -5.598 5.299
635 HE ARG 8 HE ARG 8 -7.166 -6.090 6.794
636 1HH1 ARG 8 1HH1 ARG 8 -9.176 -7.597 4.378
637 2HH1 ARG 8 2HH1 ARG 8 -8.791 -9.209 4.880
638 1HH2 ARG 8 1HH2 ARG 8 -6.652 -8.206 7.457
639 2HH2 ARG 8 2HH2 ARG 8 -7.355 -9.555 6.630
640 H SER 10 H SER 10 -8.322 -0.581 0.067
641 HA SER 10 HA SER 10 -9.365 -0.259 2.701
642 1HB SER 10 1HB SER 10 -7.658 1.509 2.765
643 2HB SER 10 2HB SER 10 -8.335 2.222 1.300
644 HG SER 10 HG SER 10 -9.425 3.333 2.740
645 H THR 11 H THR 11 -10.361 -1.381 0.340
646 HA THR 11 HA THR 11 -12.098 0.433 -1.024
647 HB THR 11 HB THR 11 -12.192 -2.589 -0.884
648 HG1 THR 11 HG1 THR 11 -10.313 -2.007 -1.894
649 1HG2 THR 11 1HG2 THR 11 -14.001 -0.669 -2.040
650 2HG2 THR 11 2HG2 THR 11 -13.269 -1.660 -3.302
651 3HG2 THR 11 3HG2 THR 11 -14.134 -2.427 -1.970
652 H GLY 12 H GLY 12 -12.652 -2.133 1.383
653 1HA GLY 12 1HA GLY 12 -14.470 -0.756 2.955
654 2HA GLY 12 2HA GLY 12 -14.381 -2.506 2.844
655 H GLY 13 H GLY 13 -16.697 -0.679 3.119
656 1HA GLY 13 1HA GLY 13 -18.369 -1.970 1.148
657 2HA GLY 13 2HA GLY 13 -18.233 -0.231 0.935
658 H LYS 14 H LYS 14 -20.133 0.584 1.571
659 HA LYS 14 HA LYS 14 -21.811 -0.529 3.530
660 1HB LYS 14 1HB LYS 14 -21.565 1.186 5.307
661 2HB LYS 14 2HB LYS 14 -20.151 0.155 5.142
662 1HG LYS 14 1HG LYS 14 -19.019 1.916 3.873
663 2HG LYS 14 2HG LYS 14 -20.435 2.951 4.061
664 1HD LYS 14 1HD LYS 14 -20.157 2.904 6.486
665 2HD LYS 14 2HD LYS 14 -18.759 1.841 6.313
666 1HE LYS 14 1HE LYS 14 -18.068 4.154 6.668
667 2HE LYS 14 2HE LYS 14 -17.582 3.583 5.072
668 1HZ LYS 14 1HZ LYS 14 -19.981 5.244 5.630
669 2HZ LYS 14 2HZ LYS 14 -18.516 5.828 5.019
670 3HZ LYS 14 3HZ LYS 14 -19.443 4.747 4.104
671 H ALA 15 H ALA 15 -23.808 0.258 3.257
672 HA ALA 15 HA ALA 15 -24.301 2.225 1.268
673 1HB ALA 15 1HB ALA 15 -26.105 0.791 3.201
674 2HB ALA 15 2HB ALA 15 -25.886 0.480 1.478
675 3HB ALA 15 3HB ALA 15 -26.699 1.952 2.014
676 HA PRO 16 HA PRO 16 -24.122 5.827 3.883
677 1HB PRO 16 1HB PRO 16 -25.151 7.626 2.152
678 2HB PRO 16 2HB PRO 16 -23.528 6.953 1.957
679 1HG PRO 16 1HG PRO 16 -26.079 6.165 0.597
680 2HG PRO 16 2HG PRO 16 -24.468 6.404 -0.105
681 1HD PRO 16 1HD PRO 16 -25.460 3.950 0.490
682 2HD PRO 16 2HD PRO 16 -23.728 4.330 0.574
683 H GLY 17 H GLY 17 -26.269 7.844 3.066
684 1HA GLY 17 1HA GLY 17 -28.294 8.518 3.909
685 2HA GLY 17 2HA GLY 17 -28.115 7.257 5.120
686 H GLY 18 H GLY 18 -28.402 7.045 1.584
687 1HA GLY 18 1HA GLY 18 -29.937 5.975 0.254
688 2HA GLY 18 2HA GLY 18 -31.101 6.234 1.544
No H/Q in entry = 688
Start of MODEL 25
1 H1 HIS 8 H1 HIS 8 -13.117 -16.385 -16.045
2 H2 HIS 8 H2 HIS 8 -12.021 -15.922 -17.247
3 H3 HIS 8 H3 HIS 8 -13.332 -14.922 -16.866
4 HA HIS 8 HA HIS 8 -14.416 -15.861 -18.526
5 1HB HIS 8 1HB HIS 8 -13.515 -17.876 -19.677
6 2HB HIS 8 2HB HIS 8 -12.320 -16.597 -19.485
7 HD1 HIS 8 HD1 HIS 8 -10.908 -17.021 -17.023
8 HD2 HIS 8 HD2 HIS 8 -12.419 -20.268 -19.132
9 HE1 HIS 8 HE1 HIS 8 -9.590 -19.010 -16.230
10 HE2 HIS 8 HE2 HIS 8 -10.604 -20.978 -17.432
11 H MET 9 H MET 9 -13.387 -18.251 -16.107
12 HA MET 9 HA MET 9 -15.577 -19.995 -16.402
13 1HB MET 9 1HB MET 9 -13.892 -19.465 -13.947
14 2HB MET 9 2HB MET 9 -14.949 -20.850 -14.180
15 1HG MET 9 1HG MET 9 -13.586 -21.580 -16.066
16 2HG MET 9 2HG MET 9 -12.528 -20.188 -15.839
17 1HE MET 9 1HE MET 9 -11.177 -22.292 -16.260
18 2HE MET 9 2HE MET 9 -9.982 -22.191 -14.968
19 3HE MET 9 3HE MET 9 -10.978 -23.636 -15.135
20 H VAL 10 H VAL 10 -15.013 -17.291 -14.179
21 HA VAL 10 HA VAL 10 -17.878 -16.855 -13.964
22 HB VAL 10 HB VAL 10 -17.782 -16.721 -11.470
23 1HG1 VAL 10 1HG1 VAL 10 -18.666 -18.704 -12.706
24 2HG1 VAL 10 2HG1 VAL 10 -17.090 -19.468 -12.496
25 3HG1 VAL 10 3HG1 VAL 10 -18.068 -19.062 -11.085
26 1HG2 VAL 10 1HG2 VAL 10 -15.050 -16.913 -11.839
27 2HG2 VAL 10 2HG2 VAL 10 -15.908 -17.029 -10.301
28 3HG2 VAL 10 3HG2 VAL 10 -15.498 -18.493 -11.195
29 H GLU 11 H GLU 11 -17.176 -15.222 -11.450
30 HA GLU 11 HA GLU 11 -16.620 -13.088 -10.918
31 1HB GLU 11 1HB GLU 11 -14.338 -13.763 -11.474
32 2HB GLU 11 2HB GLU 11 -14.626 -13.398 -13.169
33 1HG GLU 11 1HG GLU 11 -13.364 -11.620 -12.182
34 2HG GLU 11 2HG GLU 11 -14.980 -11.033 -12.569
35 H GLU 12 H GLU 12 -17.492 -11.146 -11.323
36 HA GLU 12 HA GLU 12 -17.839 -10.005 -13.880
37 1HB GLU 12 1HB GLU 12 -19.525 -11.777 -14.121
38 2HB GLU 12 2HB GLU 12 -20.321 -11.224 -12.654
39 1HG GLU 12 1HG GLU 12 -20.838 -9.100 -13.719
40 2HG GLU 12 2HG GLU 12 -20.013 -9.626 -15.185
41 H VAL 13 H VAL 13 -19.230 -10.249 -10.629
42 HA VAL 13 HA VAL 13 -20.144 -7.591 -10.450
43 HB VAL 13 HB VAL 13 -20.207 -7.941 -8.023
44 1HG1 VAL 13 1HG1 VAL 13 -21.452 -9.635 -9.998
45 2HG1 VAL 13 2HG1 VAL 13 -21.297 -10.472 -8.452
46 3HG1 VAL 13 3HG1 VAL 13 -22.136 -8.923 -8.536
47 1HG2 VAL 13 1HG2 VAL 13 -18.716 -10.487 -8.650
48 2HG2 VAL 13 2HG2 VAL 13 -18.143 -9.130 -7.679
49 3HG2 VAL 13 3HG2 VAL 13 -19.476 -10.129 -7.099
50 H LEU 14 H LEU 14 -19.244 -5.778 -9.398
51 HA LEU 14 HA LEU 14 -16.649 -5.116 -10.000
52 1HB LEU 14 1HB LEU 14 -18.305 -4.073 -7.699
53 2HB LEU 14 2HB LEU 14 -16.868 -3.298 -8.338
54 HG LEU 14 HG LEU 14 -19.448 -3.724 -9.851
55 1HD1 LEU 14 1HD1 LEU 14 -19.101 -1.928 -7.900
56 2HD1 LEU 14 2HD1 LEU 14 -18.406 -1.027 -9.247
57 3HD1 LEU 14 3HD1 LEU 14 -20.068 -1.611 -9.340
58 1HD2 LEU 14 1HD2 LEU 14 -17.188 -3.703 -11.109
59 2HD2 LEU 14 2HD2 LEU 14 -18.492 -2.661 -11.678
60 3HD2 LEU 14 3HD2 LEU 14 -17.174 -1.983 -10.723
61 H GLU 15 H GLU 15 -14.692 -5.463 -9.150
62 HA GLU 15 HA GLU 15 -14.406 -7.398 -7.067
63 1HB GLU 15 1HB GLU 15 -12.063 -7.326 -7.518
64 2HB GLU 15 2HB GLU 15 -12.905 -7.242 -9.057
65 1HG GLU 15 1HG GLU 15 -11.681 -4.912 -7.594
66 2HG GLU 15 2HG GLU 15 -10.978 -5.749 -8.975
67 H GLU 16 H GLU 16 -15.666 -4.924 -6.203
68 HA GLU 16 HA GLU 16 -13.720 -3.513 -4.607
69 1HB GLU 16 1HB GLU 16 -16.742 -3.390 -4.577
70 2HB GLU 16 2HB GLU 16 -15.671 -2.293 -3.718
71 1HG GLU 16 1HG GLU 16 -15.792 -2.620 -6.708
72 2HG GLU 16 2HG GLU 16 -16.558 -1.327 -5.787
73 H GLU 17 H GLU 17 -12.975 -4.202 -2.718
74 HA GLU 17 HA GLU 17 -14.510 -5.093 -0.578
75 1HB GLU 17 1HB GLU 17 -14.929 -7.098 -1.916
76 2HB GLU 17 2HB GLU 17 -13.200 -7.350 -2.109
77 1HG GLU 17 1HG GLU 17 -14.054 -8.854 -0.447
78 2HG GLU 17 2HG GLU 17 -12.999 -7.671 0.320
79 H GLU 18 H GLU 18 -13.300 -5.304 1.288
80 HA GLU 18 HA GLU 18 -10.745 -4.168 1.298
81 1HB GLU 18 1HB GLU 18 -10.719 -5.033 3.719
82 2HB GLU 18 2HB GLU 18 -11.926 -3.836 3.257
83 1HG GLU 18 1HG GLU 18 -13.547 -5.598 2.933
84 2HG GLU 18 2HG GLU 18 -12.350 -6.793 3.410
85 H GLU 19 H GLU 19 -10.564 -6.833 3.354
86 HA GLU 19 HA GLU 19 -9.214 -8.632 3.475
87 1HB GLU 19 1HB GLU 19 -10.840 -9.351 1.774
88 2HB GLU 19 2HB GLU 19 -9.742 -8.803 0.516
89 1HG GLU 19 1HG GLU 19 -8.059 -10.409 1.291
90 2HG GLU 19 2HG GLU 19 -9.182 -10.974 2.527
91 H GLU 20 H GLU 20 -7.090 -9.242 3.348
92 HA GLU 20 HA GLU 20 -5.231 -7.254 2.561
93 1HB GLU 20 1HB GLU 20 -4.790 -10.117 3.419
94 2HB GLU 20 2HB GLU 20 -3.507 -8.944 3.186
95 1HG GLU 20 1HG GLU 20 -3.875 -8.997 5.486
96 2HG GLU 20 2HG GLU 20 -4.668 -7.526 4.931
97 H TYR 21 H TYR 21 -5.838 -7.069 0.282
98 HA TYR 21 HA TYR 21 -5.492 -9.136 -1.584
99 1HB TYR 21 1HB TYR 21 -5.601 -6.158 -1.736
100 2HB TYR 21 2HB TYR 21 -5.039 -7.048 -3.149
101 HD1 TYR 21 HD1 TYR 21 -6.773 -6.800 -4.692
102 HD2 TYR 21 HD2 TYR 21 -7.701 -7.990 -0.713
103 HE1 TYR 21 HE1 TYR 21 -9.100 -7.217 -5.366
104 HE2 TYR 21 HE2 TYR 21 -10.032 -8.410 -1.377
105 HH TYR 21 HH TYR 21 -11.563 -7.345 -3.491
106 H VAL 22 H VAL 22 -3.798 -9.817 -2.798
107 HA VAL 22 HA VAL 22 -1.235 -9.778 -1.743
108 HB VAL 22 HB VAL 22 -1.945 -10.255 -4.639
109 1HG1 VAL 22 1HG1 VAL 22 0.498 -10.592 -3.037
110 2HG1 VAL 22 2HG1 VAL 22 0.067 -11.965 -4.055
111 3HG1 VAL 22 3HG1 VAL 22 0.298 -10.372 -4.775
112 1HG2 VAL 22 1HG2 VAL 22 -3.212 -11.554 -2.779
113 2HG2 VAL 22 2HG2 VAL 22 -2.528 -12.435 -4.147
114 3HG2 VAL 22 3HG2 VAL 22 -1.687 -12.421 -2.597
115 H VAL 23 H VAL 23 0.631 -8.674 -2.174
116 HA VAL 23 HA VAL 23 0.537 -6.436 -4.069
117 HB VAL 23 HB VAL 23 1.429 -6.195 -1.189
118 1HG1 VAL 23 1HG1 VAL 23 1.958 -4.553 -3.581
119 2HG1 VAL 23 2HG1 VAL 23 1.471 -3.671 -2.131
120 3HG1 VAL 23 3HG1 VAL 23 2.886 -4.726 -2.091
121 1HG2 VAL 23 1HG2 VAL 23 -1.108 -5.960 -2.248
122 2HG2 VAL 23 2HG2 VAL 23 -0.553 -5.287 -0.715
123 3HG2 VAL 23 3HG2 VAL 23 -0.535 -4.293 -2.172
124 H GLU 24 H GLU 24 2.384 -6.189 -5.203
125 HA GLU 24 HA GLU 24 4.440 -8.146 -4.935
126 1HB GLU 24 1HB GLU 24 3.775 -7.279 -7.124
127 2HB GLU 24 2HB GLU 24 4.317 -5.671 -6.665
128 1HG GLU 24 1HG GLU 24 6.608 -6.493 -6.479
129 2HG GLU 24 2HG GLU 24 6.066 -8.106 -6.935
130 H LYS 25 H LYS 25 4.778 -4.591 -4.987
131 HA LYS 25 HA LYS 25 6.436 -4.600 -2.610
132 1HB LYS 25 1HB LYS 25 7.590 -3.953 -5.327
133 2HB LYS 25 2HB LYS 25 8.346 -3.478 -3.814
134 1HG LYS 25 1HG LYS 25 7.789 -6.321 -4.633
135 2HG LYS 25 2HG LYS 25 9.337 -5.498 -4.821
136 1HD LYS 25 1HD LYS 25 9.436 -5.160 -2.389
137 2HD LYS 25 2HD LYS 25 7.904 -6.019 -2.216
138 1HE LYS 25 1HE LYS 25 10.471 -7.159 -3.319
139 2HE LYS 25 2HE LYS 25 9.795 -7.483 -1.724
140 1HZ LYS 25 1HZ LYS 25 7.799 -8.040 -3.563
141 2HZ LYS 25 2HZ LYS 25 9.209 -8.742 -4.179
142 3HZ LYS 25 3HZ LYS 25 8.672 -9.144 -2.627
143 H VAL 26 H VAL 26 6.667 -2.669 -1.675
144 HA VAL 26 HA VAL 26 4.735 -0.706 -2.201
145 HB VAL 26 HB VAL 26 7.236 -0.322 -0.566
146 1HG1 VAL 26 1HG1 VAL 26 5.828 1.615 -0.873
147 2HG1 VAL 26 2HG1 VAL 26 4.434 0.703 -0.306
148 3HG1 VAL 26 3HG1 VAL 26 5.763 1.056 0.800
149 1HG2 VAL 26 1HG2 VAL 26 4.791 -1.951 0.049
150 2HG2 VAL 26 2HG2 VAL 26 6.489 -2.395 0.226
151 3HG2 VAL 26 3HG2 VAL 26 5.763 -1.225 1.329
152 H LEU 27 H LEU 27 4.776 0.776 -3.788
153 HA LEU 27 HA LEU 27 7.159 1.333 -5.265
154 1HB LEU 27 1HB LEU 27 4.378 2.467 -5.386
155 2HB LEU 27 2HB LEU 27 5.671 3.048 -6.412
156 HG LEU 27 HG LEU 27 5.912 0.724 -7.314
157 1HD1 LEU 27 1HD1 LEU 27 4.658 -0.209 -5.225
158 2HD1 LEU 27 2HD1 LEU 27 3.219 0.109 -6.194
159 3HD1 LEU 27 3HD1 LEU 27 4.465 -0.983 -6.797
160 1HD2 LEU 27 1HD2 LEU 27 4.200 2.721 -8.029
161 2HD2 LEU 27 2HD2 LEU 27 4.508 1.263 -8.971
162 3HD2 LEU 27 3HD2 LEU 27 3.112 1.340 -7.895
163 H ASP 28 H ASP 28 4.995 3.514 -3.385
164 HA ASP 28 HA ASP 28 7.278 4.854 -2.246
165 1HB ASP 28 1HB ASP 28 7.316 5.828 -4.495
166 2HB ASP 28 2HB ASP 28 5.650 6.357 -4.300
167 H ARG 29 H ARG 29 6.776 6.373 -0.643
168 HA ARG 29 HA ARG 29 3.947 6.395 0.189
169 1HB ARG 29 1HB ARG 29 4.678 6.555 2.482
170 2HB ARG 29 2HB ARG 29 5.494 5.190 1.734
171 1HG ARG 29 1HG ARG 29 7.511 6.531 1.463
172 2HG ARG 29 2HG ARG 29 6.688 7.916 2.185
173 1HD ARG 29 1HD ARG 29 6.433 6.717 4.273
174 2HD ARG 29 2HD ARG 29 7.155 5.274 3.563
175 HE ARG 29 HE ARG 29 9.181 6.157 4.092
176 1HH1 ARG 29 1HH1 ARG 29 6.943 8.801 3.663
177 2HH1 ARG 29 2HH1 ARG 29 8.116 10.019 4.035
178 1HH2 ARG 29 1HH2 ARG 29 10.725 7.757 4.585
179 2HH2 ARG 29 2HH2 ARG 29 10.264 9.427 4.560
180 H ARG 30 H ARG 30 3.071 8.370 0.980
181 HA ARG 30 HA ARG 30 4.730 10.746 0.934
182 1HB ARG 30 1HB ARG 30 3.502 11.910 -0.790
183 2HB ARG 30 2HB ARG 30 4.154 10.415 -1.446
184 1HG ARG 30 1HG ARG 30 1.938 9.362 -1.142
185 2HG ARG 30 2HG ARG 30 1.309 10.919 -0.598
186 1HD ARG 30 1HD ARG 30 1.929 11.904 -2.763
187 2HD ARG 30 2HD ARG 30 2.514 10.330 -3.299
188 HE ARG 30 HE ARG 30 -0.144 10.056 -2.464
189 1HH1 ARG 30 1HH1 ARG 30 1.706 11.559 -5.004
190 2HH1 ARG 30 2HH1 ARG 30 0.427 11.464 -6.168
191 1HH2 ARG 30 1HH2 ARG 30 -1.832 9.925 -3.987
192 2HH2 ARG 30 2HH2 ARG 30 -1.586 10.536 -5.589
193 H VAL 31 H VAL 31 3.826 12.530 1.942
194 HA VAL 31 HA VAL 31 1.306 11.999 3.372
195 HB VAL 31 HB VAL 31 3.480 13.951 4.151
196 1HG1 VAL 31 1HG1 VAL 31 0.988 12.987 5.541
197 2HG1 VAL 31 2HG1 VAL 31 2.274 13.889 6.344
198 3HG1 VAL 31 3HG1 VAL 31 1.367 14.632 5.026
199 1HG2 VAL 31 1HG2 VAL 31 4.058 11.451 4.216
200 2HG2 VAL 31 2HG2 VAL 31 4.320 12.396 5.681
201 3HG2 VAL 31 3HG2 VAL 31 2.902 11.356 5.545
202 H VAL 32 H VAL 32 -0.390 13.362 3.097
203 HA VAL 32 HA VAL 32 -0.189 15.352 1.018
204 HB VAL 32 HB VAL 32 -2.613 15.651 1.340
205 1HG1 VAL 32 1HG1 VAL 32 -1.254 13.324 0.468
206 2HG1 VAL 32 2HG1 VAL 32 -2.741 12.810 1.265
207 3HG1 VAL 32 3HG1 VAL 32 -2.810 13.954 -0.076
208 1HG2 VAL 32 1HG2 VAL 32 -2.380 15.078 3.868
209 2HG2 VAL 32 2HG2 VAL 32 -3.849 14.627 3.004
210 3HG2 VAL 32 3HG2 VAL 32 -2.609 13.416 3.325
211 H LYS 33 H LYS 33 -0.624 15.326 4.502
212 HA LYS 33 HA LYS 33 0.329 18.003 4.764
213 1HB LYS 33 1HB LYS 33 -1.708 18.936 5.820
214 2HB LYS 33 2HB LYS 33 -1.941 18.570 4.117
215 1HG LYS 33 1HG LYS 33 -3.113 16.515 4.703
216 2HG LYS 33 2HG LYS 33 -2.853 16.846 6.416
217 1HD LYS 33 1HD LYS 33 -5.104 17.493 5.747
218 2HD LYS 33 2HD LYS 33 -4.162 18.911 6.209
219 1HE LYS 33 1HE LYS 33 -3.732 19.387 3.844
220 2HE LYS 33 2HE LYS 33 -4.682 17.973 3.388
221 1HZ LYS 33 1HZ LYS 33 -5.788 20.227 4.964
222 2HZ LYS 33 2HZ LYS 33 -5.876 20.151 3.276
223 3HZ LYS 33 3HZ LYS 33 -6.641 18.971 4.218
224 H GLY 34 H GLY 34 -1.132 15.148 6.059
225 1HA GLY 34 1HA GLY 34 -1.027 15.508 8.778
226 2HA GLY 34 2HA GLY 34 0.620 15.103 8.311
227 H LYS 35 H LYS 35 -1.841 13.819 6.328
228 HA LYS 35 HA LYS 35 -2.371 11.434 7.790
229 1HB LYS 35 1HB LYS 35 -2.670 11.765 4.812
230 2HB LYS 35 2HB LYS 35 -3.611 10.755 5.896
231 1HG LYS 35 1HG LYS 35 -3.673 13.760 5.740
232 2HG LYS 35 2HG LYS 35 -4.923 12.648 5.184
233 1HD LYS 35 1HD LYS 35 -4.012 12.967 8.044
234 2HD LYS 35 2HD LYS 35 -5.473 13.674 7.354
235 1HE LYS 35 1HE LYS 35 -4.854 10.728 7.576
236 2HE LYS 35 2HE LYS 35 -5.980 11.632 8.589
237 1HZ LYS 35 1HZ LYS 35 -6.711 12.118 5.962
238 2HZ LYS 35 2HZ LYS 35 -6.427 10.453 6.062
239 3HZ LYS 35 3HZ LYS 35 -7.542 11.186 7.103
240 H VAL 36 H VAL 36 -2.081 9.479 5.789
241 HA VAL 36 HA VAL 36 0.712 9.359 5.025
242 HB VAL 36 HB VAL 36 -0.334 7.119 6.747
243 1HG1 VAL 36 1HG1 VAL 36 2.189 7.771 5.367
244 2HG1 VAL 36 2HG1 VAL 36 2.337 7.041 6.967
245 3HG1 VAL 36 3HG1 VAL 36 1.440 6.209 5.698
246 1HG2 VAL 36 1HG2 VAL 36 -0.129 9.392 7.963
247 2HG2 VAL 36 2HG2 VAL 36 0.619 7.965 8.679
248 3HG2 VAL 36 3HG2 VAL 36 1.608 9.134 7.805
249 H GLU 37 H GLU 37 0.995 8.073 3.245
250 HA GLU 37 HA GLU 37 -0.953 6.031 2.610
251 1HB GLU 37 1HB GLU 37 -1.525 6.923 0.408
252 2HB GLU 37 2HB GLU 37 -2.033 8.015 1.689
253 1HG GLU 37 1HG GLU 37 -0.040 9.390 1.268
254 2HG GLU 37 2HG GLU 37 0.395 8.318 -0.061
255 H TYR 38 H TYR 38 -0.066 4.377 1.556
256 HA TYR 38 HA TYR 38 2.635 4.753 0.455
257 1HB TYR 38 1HB TYR 38 1.406 2.402 1.878
258 2HB TYR 38 2HB TYR 38 2.865 2.247 0.904
259 HD1 TYR 38 HD1 TYR 38 1.618 4.694 3.432
260 HD2 TYR 38 HD2 TYR 38 4.768 2.138 2.171
261 HE1 TYR 38 HE1 TYR 38 2.964 5.435 5.333
262 HE2 TYR 38 HE2 TYR 38 6.134 2.866 4.075
263 HH TYR 38 HH TYR 38 6.310 4.712 5.622
264 H LEU 39 H LEU 39 3.184 3.844 -1.450
265 HA LEU 39 HA LEU 39 0.970 3.167 -3.204
266 1HB LEU 39 1HB LEU 39 3.270 4.651 -3.555
267 2HB LEU 39 2HB LEU 39 3.666 3.136 -4.343
268 HG LEU 39 HG LEU 39 1.480 5.069 -5.017
269 1HD1 LEU 39 1HD1 LEU 39 3.691 5.419 -6.022
270 2HD1 LEU 39 2HD1 LEU 39 3.623 3.791 -6.695
271 3HD1 LEU 39 3HD1 LEU 39 2.461 5.011 -7.218
272 1HD2 LEU 39 1HD2 LEU 39 1.472 2.195 -5.257
273 2HD2 LEU 39 2HD2 LEU 39 0.156 3.363 -5.462
274 3HD2 LEU 39 3HD2 LEU 39 1.251 3.013 -6.805
275 H LEU 40 H LEU 40 0.616 1.151 -4.016
276 HA LEU 40 HA LEU 40 2.680 -0.892 -3.648
277 1HB LEU 40 1HB LEU 40 -0.157 -1.110 -2.649
278 2HB LEU 40 2HB LEU 40 0.906 -2.487 -2.842
279 HG LEU 40 HG LEU 40 2.496 -1.205 -1.245
280 1HD1 LEU 40 1HD1 LEU 40 0.256 0.571 -1.358
281 2HD1 LEU 40 2HD1 LEU 40 0.486 -0.017 0.288
282 3HD1 LEU 40 3HD1 LEU 40 1.813 0.780 -0.557
283 1HD2 LEU 40 1HD2 LEU 40 0.187 -2.899 -0.754
284 2HD2 LEU 40 2HD2 LEU 40 1.814 -2.980 -0.080
285 3HD2 LEU 40 3HD2 LEU 40 0.613 -1.909 0.643
286 H LYS 41 H LYS 41 2.853 -2.259 -5.311
287 HA LYS 41 HA LYS 41 1.178 -1.859 -7.622
288 1HB LYS 41 1HB LYS 41 3.698 -2.315 -7.614
289 2HB LYS 41 2HB LYS 41 3.285 -3.987 -7.268
290 1HG LYS 41 1HG LYS 41 3.659 -3.787 -9.606
291 2HG LYS 41 2HG LYS 41 1.926 -4.011 -9.355
292 1HD LYS 41 1HD LYS 41 1.557 -1.624 -9.616
293 2HD LYS 41 2HD LYS 41 3.292 -1.356 -9.787
294 1HE LYS 41 1HE LYS 41 3.272 -2.779 -11.807
295 2HE LYS 41 2HE LYS 41 1.522 -2.926 -11.653
296 1HZ LYS 41 1HZ LYS 41 2.804 -0.274 -11.808
297 2HZ LYS 41 2HZ LYS 41 2.465 -1.150 -13.214
298 3HZ LYS 41 3HZ LYS 41 1.210 -0.705 -12.172
299 H TRP 42 H TRP 42 -0.822 -2.739 -7.564
300 HA TRP 42 HA TRP 42 -1.316 -5.198 -6.145
301 1HB TRP 42 1HB TRP 42 -3.239 -3.679 -7.915
302 2HB TRP 42 2HB TRP 42 -3.636 -4.862 -6.672
303 HD1 TRP 42 HD1 TRP 42 -2.573 -1.220 -7.109
304 HE1 TRP 42 HE1 TRP 42 -2.924 0.021 -4.884
305 HE3 TRP 42 HE3 TRP 42 -3.713 -5.211 -4.115
306 HZ2 TRP 42 HZ2 TRP 42 -3.595 -0.602 -2.218
307 HZ3 TRP 42 HZ3 TRP 42 -4.191 -4.798 -1.738
308 HH2 TRP 42 HH2 TRP 42 -4.130 -2.540 -0.809
309 H LYS 43 H LYS 43 -1.466 -7.186 -6.937
310 HA LYS 43 HA LYS 43 -0.546 -7.750 -9.565
311 1HB LYS 43 1HB LYS 43 -0.101 -9.229 -7.654
312 2HB LYS 43 2HB LYS 43 -1.819 -9.580 -7.524
313 1HG LYS 43 1HG LYS 43 -1.768 -10.596 -9.756
314 2HG LYS 43 2HG LYS 43 -0.035 -10.274 -9.850
315 1HD LYS 43 1HD LYS 43 0.317 -11.682 -7.867
316 2HD LYS 43 2HD LYS 43 -1.414 -12.022 -7.811
317 1HE LYS 43 1HE LYS 43 0.477 -12.732 -10.052
318 2HE LYS 43 2HE LYS 43 -0.210 -13.850 -8.874
319 1HZ LYS 43 1HZ LYS 43 -1.898 -12.218 -10.677
320 2HZ LYS 43 2HZ LYS 43 -1.327 -13.748 -11.115
321 3HZ LYS 43 3HZ LYS 43 -2.344 -13.579 -9.775
322 H GLY 44 H GLY 44 -1.618 -8.584 -11.333
323 1HA GLY 44 1HA GLY 44 -4.448 -9.120 -11.263
324 2HA GLY 44 2HA GLY 44 -3.403 -9.204 -12.670
325 H PHE 45 H PHE 45 -4.254 -6.542 -10.456
326 HA PHE 45 HA PHE 45 -5.920 -5.197 -12.278
327 1HB PHE 45 1HB PHE 45 -4.369 -4.157 -9.899
328 2HB PHE 45 2HB PHE 45 -5.544 -3.204 -10.795
329 HD1 PHE 45 HD1 PHE 45 -5.498 -6.691 -9.436
330 HD2 PHE 45 HD2 PHE 45 -7.489 -2.934 -9.630
331 HE1 PHE 45 HE1 PHE 45 -7.309 -7.581 -8.028
332 HE2 PHE 45 HE2 PHE 45 -9.302 -3.818 -8.223
333 HZ PHE 45 HZ PHE 45 -9.213 -6.144 -7.420
334 H SER 46 H SER 46 -5.560 -3.465 -13.655
335 HA SER 46 HA SER 46 -3.320 -3.474 -15.235
336 1HB SER 46 1HB SER 46 -4.040 -1.253 -16.053
337 2HB SER 46 2HB SER 46 -5.393 -2.373 -15.912
338 HG SER 46 HG SER 46 -5.333 -0.024 -14.922
339 H ASP 47 H ASP 47 -1.439 -2.290 -15.388
340 HA ASP 47 HA ASP 47 -0.063 -1.714 -13.055
341 1HB ASP 47 1HB ASP 47 0.451 -0.648 -15.838
342 2HB ASP 47 2HB ASP 47 1.610 -0.624 -14.512
343 H GLU 48 H GLU 48 -1.710 0.518 -15.263
344 HA GLU 48 HA GLU 48 -0.986 2.892 -13.951
345 1HB GLU 48 1HB GLU 48 -2.806 3.917 -15.224
346 2HB GLU 48 2HB GLU 48 -1.839 2.857 -16.237
347 1HG GLU 48 1HG GLU 48 -3.539 1.119 -16.046
348 2HG GLU 48 2HG GLU 48 -4.508 2.177 -15.020
349 H ASP 49 H ASP 49 -3.249 0.455 -13.122
350 HA ASP 49 HA ASP 49 -5.023 2.096 -11.596
351 1HB ASP 49 1HB ASP 49 -5.630 -0.124 -12.594
352 2HB ASP 49 2HB ASP 49 -4.622 -0.891 -11.372
353 H ASN 50 H ASN 50 -2.393 2.688 -10.804
354 HA ASN 50 HA ASN 50 -1.599 1.312 -8.463
355 1HB ASN 50 1HB ASN 50 -0.992 4.064 -9.533
356 2HB ASN 50 2HB ASN 50 -0.348 3.508 -7.992
357 1HD2 ASN 50 1HD2 ASN 50 -0.460 0.736 -9.514
358 2HD2 ASN 50 2HD2 ASN 50 1.063 0.724 -10.326
359 H THR 51 H THR 51 -2.089 1.629 -6.322
360 HA THR 51 HA THR 51 -3.962 3.784 -5.653
361 HB THR 51 HB THR 51 -4.381 0.885 -4.898
362 HG1 THR 51 HG1 THR 51 -6.034 2.592 -6.468
363 1HG2 THR 51 1HG2 THR 51 -5.454 3.405 -3.830
364 2HG2 THR 51 2HG2 THR 51 -6.669 2.190 -4.226
365 3HG2 THR 51 3HG2 THR 51 -5.373 1.805 -3.095
366 H TRP 52 H TRP 52 -3.503 4.786 -3.804
367 HA TRP 52 HA TRP 52 -1.329 3.745 -2.174
368 1HB TRP 52 1HB TRP 52 -2.666 6.450 -2.072
369 2HB TRP 52 2HB TRP 52 -1.169 5.989 -1.292
370 HD1 TRP 52 HD1 TRP 52 -2.449 6.008 -4.971
371 HE1 TRP 52 HE1 TRP 52 -0.551 6.922 -6.448
372 HE3 TRP 52 HE3 TRP 52 1.092 6.725 -1.368
373 HZ2 TRP 52 HZ2 TRP 52 2.108 7.807 -6.126
374 HZ3 TRP 52 HZ3 TRP 52 3.290 7.587 -2.037
375 HH2 TRP 52 HH2 TRP 52 3.789 8.107 -4.363
376 H GLU 53 H GLU 53 -1.620 2.936 -0.194
377 HA GLU 53 HA GLU 53 -4.307 2.967 0.961
378 1HB GLU 53 1HB GLU 53 -1.868 1.375 1.764
379 2HB GLU 53 2HB GLU 53 -3.490 1.174 2.411
380 1HG GLU 53 1HG GLU 53 -4.300 0.423 0.275
381 2HG GLU 53 2HG GLU 53 -2.733 0.746 -0.467
382 HA PRO 54 HA PRO 54 -3.176 5.983 3.990
383 1HB PRO 54 1HB PRO 54 -4.963 5.420 5.947
384 2HB PRO 54 2HB PRO 54 -5.407 6.209 4.428
385 1HG PRO 54 1HG PRO 54 -5.687 3.337 5.225
386 2HG PRO 54 2HG PRO 54 -6.836 4.378 4.366
387 1HD PRO 54 1HD PRO 54 -5.260 2.573 3.097
388 2HD PRO 54 2HD PRO 54 -5.775 4.096 2.344
389 H GLU 55 H GLU 55 -1.601 3.476 4.091
390 HA GLU 55 HA GLU 55 -0.025 2.532 5.398
391 1HB GLU 55 1HB GLU 55 0.494 4.774 6.119
392 2HB GLU 55 2HB GLU 55 -0.806 4.746 7.300
393 1HG GLU 55 1HG GLU 55 0.347 3.003 8.547
394 2HG GLU 55 2HG GLU 55 1.638 2.989 7.346
395 H GLU 56 H GLU 56 -3.129 3.075 7.022
396 HA GLU 56 HA GLU 56 -2.698 1.157 9.067
397 1HB GLU 56 1HB GLU 56 -5.136 1.354 9.453
398 2HB GLU 56 2HB GLU 56 -4.316 2.907 9.394
399 1HG GLU 56 1HG GLU 56 -5.088 3.230 7.101
400 2HG GLU 56 2HG GLU 56 -5.907 1.670 7.157
401 H ASN 57 H ASN 57 -4.597 0.999 6.047
402 HA ASN 57 HA ASN 57 -5.489 -1.630 6.352
403 1HB ASN 57 1HB ASN 57 -4.969 -0.047 3.832
404 2HB ASN 57 2HB ASN 57 -5.822 -1.588 3.877
405 1HD2 ASN 57 1HD2 ASN 57 -6.304 1.584 3.645
406 2HD2 ASN 57 2HD2 ASN 57 -7.856 1.729 4.387
407 H LEU 58 H LEU 58 -2.372 -0.454 5.554
408 HA LEU 58 HA LEU 58 -1.299 -2.431 3.957
409 1HB LEU 58 1HB LEU 58 -0.022 -0.885 6.208
410 2HB LEU 58 2HB LEU 58 0.872 -1.929 5.121
411 HG LEU 58 HG LEU 58 0.911 0.577 4.649
412 1HD1 LEU 58 1HD1 LEU 58 1.551 -1.286 3.068
413 2HD1 LEU 58 2HD1 LEU 58 -0.047 -1.089 2.345
414 3HD1 LEU 58 3HD1 LEU 58 1.097 0.253 2.335
415 1HD2 LEU 58 1HD2 LEU 58 -1.588 0.801 4.963
416 2HD2 LEU 58 2HD2 LEU 58 -0.893 1.590 3.546
417 3HD2 LEU 58 3HD2 LEU 58 -1.750 0.059 3.370
418 H ASP 59 H ASP 59 -0.254 -4.365 4.303
419 HA ASP 59 HA ASP 59 -0.164 -5.537 6.951
420 1HB ASP 59 1HB ASP 59 -1.847 -6.739 4.739
421 2HB ASP 59 2HB ASP 59 -1.405 -7.579 6.222
422 H CYS 60 H CYS 60 1.912 -4.773 5.401
423 HA CYS 60 HA CYS 60 3.187 -7.324 4.796
424 1HB CYS 60 1HB CYS 60 4.142 -6.428 2.687
425 2HB CYS 60 2HB CYS 60 2.391 -6.592 2.620
426 HG CYS 60 HG CYS 60 2.370 -4.275 1.441
427 HA PRO 61 HA PRO 61 5.567 -4.145 7.416
428 1HB PRO 61 1HB PRO 61 6.545 -6.262 8.981
429 2HB PRO 61 2HB PRO 61 5.260 -5.138 9.426
430 1HG PRO 61 1HG PRO 61 5.070 -7.896 8.319
431 2HG PRO 61 2HG PRO 61 4.015 -7.072 9.483
432 1HD PRO 61 1HD PRO 61 3.271 -7.432 6.936
433 2HD PRO 61 2HD PRO 61 2.853 -5.946 7.816
434 H ASP 62 H ASP 62 6.411 -7.375 6.203
435 HA ASP 62 HA ASP 62 9.192 -7.044 6.227
436 1HB ASP 62 1HB ASP 62 9.215 -8.875 4.525
437 2HB ASP 62 2HB ASP 62 8.262 -9.243 5.957
438 H LEU 63 H LEU 63 6.794 -6.271 3.724
439 HA LEU 63 HA LEU 63 8.727 -5.452 1.795
440 1HB LEU 63 1HB LEU 63 5.814 -4.689 1.994
441 2HB LEU 63 2HB LEU 63 6.841 -4.447 0.597
442 HG LEU 63 HG LEU 63 5.842 -7.062 1.706
443 1HD1 LEU 63 1HD1 LEU 63 4.510 -5.465 0.127
444 2HD1 LEU 63 2HD1 LEU 63 5.582 -6.124 -1.108
445 3HD1 LEU 63 3HD1 LEU 63 4.541 -7.202 -0.179
446 1HD2 LEU 63 1HD2 LEU 63 8.299 -7.028 0.899
447 2HD2 LEU 63 2HD2 LEU 63 7.209 -8.261 0.263
448 3HD2 LEU 63 3HD2 LEU 63 7.599 -6.841 -0.709
449 H ILE 64 H ILE 64 6.690 -3.722 4.122
450 HA ILE 64 HA ILE 64 7.297 -1.111 3.442
451 HB ILE 64 HB ILE 64 6.884 -2.204 6.231
452 1HG1 ILE 64 1HG1 ILE 64 4.898 -1.046 4.259
453 2HG1 ILE 64 2HG1 ILE 64 5.054 -2.753 4.658
454 1HG2 ILE 64 1HG2 ILE 64 6.782 0.592 5.122
455 2HG2 ILE 64 2HG2 ILE 64 6.048 0.140 6.660
456 3HG2 ILE 64 3HG2 ILE 64 7.789 -0.025 6.432
457 1HD1 ILE 64 1HD1 ILE 64 4.403 -0.649 6.698
458 2HD1 ILE 64 2HD1 ILE 64 3.178 -1.526 5.781
459 3HD1 ILE 64 3HD1 ILE 64 4.267 -2.400 6.857
460 H ALA 65 H ALA 65 9.066 -3.337 5.550
461 HA ALA 65 HA ALA 65 11.065 -1.519 6.360
462 1HB ALA 65 1HB ALA 65 12.398 -3.697 6.729
463 2HB ALA 65 2HB ALA 65 10.929 -3.438 7.670
464 3HB ALA 65 3HB ALA 65 10.902 -4.510 6.269
465 H GLU 66 H GLU 66 10.763 -3.694 3.612
466 HA GLU 66 HA GLU 66 13.386 -3.402 2.616
467 1HB GLU 66 1HB GLU 66 11.908 -5.228 1.921
468 2HB GLU 66 2HB GLU 66 10.825 -4.077 1.148
469 1HG GLU 66 1HG GLU 66 12.576 -3.472 -0.431
470 2HG GLU 66 2HG GLU 66 13.685 -4.593 0.355
471 H PHE 67 H PHE 67 10.391 -1.642 1.992
472 HA PHE 67 HA PHE 67 11.299 -0.043 -0.123
473 1HB PHE 67 1HB PHE 67 8.956 -0.218 0.287
474 2HB PHE 67 2HB PHE 67 9.134 0.353 1.941
475 HD1 PHE 67 HD1 PHE 67 8.247 2.414 2.284
476 HD2 PHE 67 HD2 PHE 67 10.147 1.605 -1.437
477 HE1 PHE 67 HE1 PHE 67 7.782 4.714 1.554
478 HE2 PHE 67 HE2 PHE 67 9.687 3.908 -2.174
479 HZ PHE 67 HZ PHE 67 8.504 5.466 -0.678
480 H LEU 68 H LEU 68 11.257 0.553 3.380
481 HA LEU 68 HA LEU 68 12.418 3.158 3.142
482 1HB LEU 68 1HB LEU 68 12.256 1.407 5.591
483 2HB LEU 68 2HB LEU 68 12.457 3.149 5.547
484 HG LEU 68 HG LEU 68 9.992 1.650 4.657
485 1HD1 LEU 68 1HD1 LEU 68 10.708 3.103 7.173
486 2HD1 LEU 68 2HD1 LEU 68 9.031 2.942 6.651
487 3HD1 LEU 68 3HD1 LEU 68 9.997 1.502 6.973
488 1HD2 LEU 68 1HD2 LEU 68 10.860 4.124 3.819
489 2HD2 LEU 68 2HD2 LEU 68 9.196 3.541 3.785
490 3HD2 LEU 68 3HD2 LEU 68 9.764 4.507 5.148
491 H GLN 69 H GLN 69 13.586 -0.071 3.851
492 HA GLN 69 HA GLN 69 16.158 0.523 4.730
493 1HB GLN 69 1HB GLN 69 15.096 -1.717 4.820
494 2HB GLN 69 2HB GLN 69 15.285 -1.853 3.077
495 1HG GLN 69 1HG GLN 69 17.720 -1.680 3.359
496 2HG GLN 69 2HG GLN 69 17.488 -1.639 5.106
497 1HE2 GLN 69 1HE2 GLN 69 17.858 -3.507 6.043
498 2HE2 GLN 69 2HE2 GLN 69 17.557 -5.070 5.369
499 H SER 70 H SER 70 14.883 0.164 1.461
500 HA SER 70 HA SER 70 17.299 0.210 0.060
501 1HB SER 70 1HB SER 70 15.192 -0.399 -1.008
502 2HB SER 70 2HB SER 70 14.583 1.242 -0.792
503 HG SER 70 HG SER 70 16.102 0.260 -2.769
504 H GLN 71 H GLN 71 15.133 2.915 0.909
505 HA GLN 71 HA GLN 71 16.820 4.900 -0.220
506 1HB GLN 71 1HB GLN 71 14.503 5.003 1.689
507 2HB GLN 71 2HB GLN 71 15.411 6.450 1.282
508 1HG GLN 71 1HG GLN 71 13.446 6.321 -0.085
509 2HG GLN 71 2HG GLN 71 14.874 6.094 -1.090
510 1HE2 GLN 71 1HE2 GLN 71 11.848 4.968 -0.392
511 2HE2 GLN 71 2HE2 GLN 71 11.960 3.397 -1.104
512 H LYS 72 H LYS 72 16.067 4.249 3.196
513 HA LYS 72 HA LYS 72 17.227 4.659 5.111
514 1HB LYS 72 1HB LYS 72 18.613 2.847 4.081
515 2HB LYS 72 2HB LYS 72 19.648 4.085 3.387
516 1HG LYS 72 1HG LYS 72 20.664 3.190 5.376
517 2HG LYS 72 2HG LYS 72 20.195 4.868 5.656
518 1HD LYS 72 1HD LYS 72 18.169 4.100 6.810
519 2HD LYS 72 2HD LYS 72 18.657 2.425 6.540
520 1HE LYS 72 1HE LYS 72 20.678 2.802 7.866
521 2HE LYS 72 2HE LYS 72 20.195 4.478 8.128
522 1HZ LYS 72 1HZ LYS 72 18.028 3.196 8.984
523 2HZ LYS 72 2HZ LYS 72 19.207 2.048 9.372
524 3HZ LYS 72 3HZ LYS 72 19.317 3.618 9.995
525 H THR 73 H THR 73 20.211 5.699 3.925
526 HA THR 73 HA THR 73 19.973 8.286 4.993
527 HB THR 73 HB THR 73 21.975 7.277 2.959
528 HG1 THR 73 HG1 THR 73 23.034 6.461 4.629
529 1HG2 THR 73 1HG2 THR 73 22.007 9.691 4.771
530 2HG2 THR 73 2HG2 THR 73 23.413 9.088 3.895
531 3HG2 THR 73 3HG2 THR 73 22.010 9.683 3.008
532 H ALA 74 H ALA 74 19.660 7.048 1.706
533 HA ALA 74 HA ALA 74 17.973 9.188 0.898
534 1HB ALA 74 1HB ALA 74 20.702 9.756 0.713
535 2HB ALA 74 2HB ALA 74 20.190 9.374 -0.930
536 3HB ALA 74 3HB ALA 74 19.372 10.648 -0.026
537 H HIS 75 H HIS 75 20.264 6.731 -0.255
538 HA HIS 75 HA HIS 75 18.292 5.166 -1.509
539 1HB HIS 75 1HB HIS 75 18.252 7.039 -3.126
540 2HB HIS 75 2HB HIS 75 19.973 6.809 -3.416
541 HD1 HIS 75 HD1 HIS 75 20.433 4.074 -4.126
542 HD2 HIS 75 HD2 HIS 75 16.804 5.866 -5.067
543 HE1 HIS 75 HE1 HIS 75 19.457 2.683 -5.979
544 HE2 HIS 75 HE2 HIS 75 17.227 3.741 -6.481
545 H GLU 76 H GLU 76 21.682 6.182 -1.643
546 HA GLU 76 HA GLU 76 22.786 3.810 -2.610
547 1HB GLU 76 1HB GLU 76 24.894 4.583 -1.562
548 2HB GLU 76 2HB GLU 76 24.093 5.840 -2.495
549 1HG GLU 76 1HG GLU 76 23.206 6.803 -0.431
550 2HG GLU 76 2HG GLU 76 24.017 5.545 0.500
551 H THR 77 H THR 77 21.908 4.786 0.635
552 HA THR 77 HA THR 77 21.845 3.763 2.645
553 HB THR 77 HB THR 77 20.038 2.541 1.473
554 HG1 THR 77 HG1 THR 77 21.484 1.636 3.637
555 1HG2 THR 77 1HG2 THR 77 22.232 0.540 0.953
556 2HG2 THR 77 2HG2 THR 77 20.520 0.113 0.930
557 3HG2 THR 77 3HG2 THR 77 21.150 1.298 -0.217
558 H ASP 78 H ASP 78 23.224 3.069 4.110
559 HA ASP 78 HA ASP 78 24.939 0.849 3.833
560 1HB ASP 78 1HB ASP 78 27.111 2.014 3.732
561 2HB ASP 78 2HB ASP 78 26.160 2.284 2.274
562 H LYS 79 H LYS 79 25.455 0.175 5.818
563 HA LYS 79 HA LYS 79 26.278 1.802 7.951
564 1HB LYS 79 1HB LYS 79 23.868 2.499 7.839
565 2HB LYS 79 2HB LYS 79 23.423 0.843 8.228
566 1HG LYS 79 1HG LYS 79 24.557 1.019 10.369
567 2HG LYS 79 2HG LYS 79 25.072 2.660 9.975
568 1HD LYS 79 1HD LYS 79 22.723 3.357 9.847
569 2HD LYS 79 2HD LYS 79 22.220 1.718 10.263
570 1HE LYS 79 1HE LYS 79 23.356 1.904 12.412
571 2HE LYS 79 2HE LYS 79 23.903 3.527 11.993
572 1HZ LYS 79 1HZ LYS 79 21.080 3.270 11.713
573 2HZ LYS 79 2HZ LYS 79 21.572 2.867 13.280
574 3HZ LYS 79 3HZ LYS 79 21.971 4.378 12.632
575 H SER 80 H SER 80 27.284 -0.472 6.897
576 HA SER 80 HA SER 80 28.075 -2.543 7.399
577 1HB SER 80 1HB SER 80 28.730 -1.419 9.495
578 2HB SER 80 2HB SER 80 27.165 -1.827 10.199
579 HG SER 80 HG SER 80 28.496 -3.421 10.864
580 H1 ALA 1 H1 ALA 1 3.351 -24.425 2.600
581 H2 ALA 1 H2 ALA 1 2.239 -24.923 1.426
582 H3 ALA 1 H3 ALA 1 3.377 -23.726 1.061
583 HA ALA 1 HA ALA 1 1.490 -22.492 1.404
584 1HB ALA 1 1HB ALA 1 0.392 -24.659 2.412
585 2HB ALA 1 2HB ALA 1 0.745 -23.855 3.942
586 3HB ALA 1 3HB ALA 1 -0.276 -23.061 2.744
587 H ARG 2 H ARG 2 1.663 -20.540 2.339
588 HA ARG 2 HA ARG 2 2.559 -20.076 4.981
589 1HB ARG 2 1HB ARG 2 4.729 -20.742 4.025
590 2HB ARG 2 2HB ARG 2 4.570 -19.495 2.795
591 1HG ARG 2 1HG ARG 2 4.554 -17.790 4.587
592 2HG ARG 2 2HG ARG 2 4.841 -19.073 5.764
593 1HD ARG 2 1HD ARG 2 6.925 -17.970 5.177
594 2HD ARG 2 2HD ARG 2 6.931 -19.643 4.622
595 HE ARG 2 HE ARG 2 6.019 -18.060 2.520
596 1HH1 ARG 2 1HH1 ARG 2 8.927 -18.522 4.382
597 2HH1 ARG 2 2HH1 ARG 2 9.983 -18.048 3.092
598 1HH2 ARG 2 1HH2 ARG 2 7.401 -17.434 0.816
599 2HH2 ARG 2 2HH2 ARG 2 9.116 -17.429 1.066
600 H THR 3 H THR 3 1.919 -18.091 5.606
601 HA THR 3 HA THR 3 0.426 -16.464 3.839
602 HB THR 3 HB THR 3 1.512 -15.765 6.577
603 HG1 THR 3 HG1 THR 3 -1.161 -16.375 6.285
604 1HG2 THR 3 1HG2 THR 3 0.050 -14.228 4.634
605 2HG2 THR 3 2HG2 THR 3 -0.934 -14.476 6.077
606 3HG2 THR 3 3HG2 THR 3 0.662 -13.737 6.214
607 H GLN 5 H GLN 5 4.271 -11.765 2.217
608 HA GLN 5 HA GLN 5 2.787 -9.913 3.580
609 1HB GLN 5 1HB GLN 5 3.996 -8.190 2.201
610 2HB GLN 5 2HB GLN 5 5.029 -9.391 2.964
611 1HG GLN 5 1HG GLN 5 4.092 -9.751 0.148
612 2HG GLN 5 2HG GLN 5 5.468 -8.715 0.517
613 1HE2 GLN 5 1HE2 GLN 5 5.742 -10.831 2.872
614 2HE2 GLN 5 2HE2 GLN 5 6.698 -12.056 2.120
615 H THR 6 H THR 6 1.133 -8.541 3.162
616 HA THR 6 HA THR 6 0.060 -8.296 0.464
617 HB THR 6 HB THR 6 -2.269 -8.810 1.310
618 HG1 THR 6 HG1 THR 6 -0.797 -9.967 3.462
619 1HG2 THR 6 1HG2 THR 6 -0.167 -10.620 0.555
620 2HG2 THR 6 2HG2 THR 6 -1.292 -11.425 1.648
621 3HG2 THR 6 3HG2 THR 6 -1.884 -10.682 0.162
622 H ALA 7 H ALA 7 -2.446 -7.201 1.335
623 HA ALA 7 HA ALA 7 -2.273 -5.201 3.263
624 1HB ALA 7 1HB ALA 7 -0.905 -3.688 2.356
625 2HB ALA 7 2HB ALA 7 -0.870 -4.550 0.813
626 3HB ALA 7 3HB ALA 7 -2.163 -3.399 1.151
627 H ARG 8 H ARG 8 -4.293 -4.541 3.640
628 HA ARG 8 HA ARG 8 -6.432 -5.423 1.992
629 1HB ARG 8 1HB ARG 8 -6.436 -3.541 4.351
630 2HB ARG 8 2HB ARG 8 -7.871 -4.236 3.611
631 1HG ARG 8 1HG ARG 8 -7.133 -6.465 4.219
632 2HG ARG 8 2HG ARG 8 -5.656 -5.798 4.918
633 1HD ARG 8 1HD ARG 8 -8.474 -5.250 5.842
634 2HD ARG 8 2HD ARG 8 -7.297 -6.283 6.652
635 HE ARG 8 HE ARG 8 -6.174 -3.741 6.357
636 1HH1 ARG 8 1HH1 ARG 8 -8.772 -5.302 8.079
637 2HH1 ARG 8 2HH1 ARG 8 -8.728 -4.194 9.409
638 1HH2 ARG 8 1HH2 ARG 8 -6.111 -2.277 8.105
639 2HH2 ARG 8 2HH2 ARG 8 -7.216 -2.473 9.423
640 H SER 10 H SER 10 -7.379 0.067 -0.702
641 HA SER 10 HA SER 10 -8.068 1.107 1.872
642 1HB SER 10 1HB SER 10 -6.403 2.213 0.446
643 2HB SER 10 2HB SER 10 -7.645 2.543 -0.760
644 HG SER 10 HG SER 10 -8.291 4.183 0.383
645 H THR 11 H THR 11 -10.204 -0.425 0.733
646 HA THR 11 HA THR 11 -12.212 1.563 -0.010
647 HB THR 11 HB THR 11 -12.413 -1.454 0.099
648 HG1 THR 11 HG1 THR 11 -12.164 0.351 -2.097
649 1HG2 THR 11 1HG2 THR 11 -14.362 0.688 -0.700
650 2HG2 THR 11 2HG2 THR 11 -14.476 -0.949 -1.345
651 3HG2 THR 11 3HG2 THR 11 -14.606 -0.675 0.392
652 H GLY 12 H GLY 12 -11.676 -0.982 2.418
653 1HA GLY 12 1HA GLY 12 -12.787 0.510 4.535
654 2HA GLY 12 2HA GLY 12 -12.464 -1.217 4.560
655 H GLY 13 H GLY 13 -14.777 0.640 5.409
656 1HA GLY 13 1HA GLY 13 -16.847 -1.229 5.074
657 2HA GLY 13 2HA GLY 13 -17.043 0.030 3.864
658 H LYS 14 H LYS 14 -18.456 -0.842 6.463
659 HA LYS 14 HA LYS 14 -19.533 0.084 8.234
660 1HB LYS 14 1HB LYS 14 -17.329 0.876 8.996
661 2HB LYS 14 2HB LYS 14 -17.519 2.327 8.022
662 1HG LYS 14 1HG LYS 14 -19.409 3.020 9.358
663 2HG LYS 14 2HG LYS 14 -19.328 1.527 10.291
664 1HD LYS 14 1HD LYS 14 -18.300 3.235 11.595
665 2HD LYS 14 2HD LYS 14 -17.012 2.196 10.986
666 1HE LYS 14 1HE LYS 14 -17.842 4.803 9.718
667 2HE LYS 14 2HE LYS 14 -16.513 4.635 10.862
668 1HZ LYS 14 1HZ LYS 14 -15.757 2.825 9.152
669 2HZ LYS 14 2HZ LYS 14 -16.697 3.737 8.081
670 3HZ LYS 14 3HZ LYS 14 -15.404 4.459 8.897
671 H ALA 15 H ALA 15 -18.780 2.245 5.554
672 HA ALA 15 HA ALA 15 -20.066 3.663 4.335
673 1HB ALA 15 1HB ALA 15 -22.407 2.471 5.813
674 2HB ALA 15 2HB ALA 15 -21.685 1.801 4.349
675 3HB ALA 15 3HB ALA 15 -22.462 3.384 4.305
676 HA PRO 16 HA PRO 16 -20.239 7.190 7.025
677 1HB PRO 16 1HB PRO 16 -21.250 8.982 5.233
678 2HB PRO 16 2HB PRO 16 -19.559 8.471 5.250
679 1HG PRO 16 1HG PRO 16 -21.810 7.519 3.521
680 2HG PRO 16 2HG PRO 16 -20.135 7.892 3.074
681 1HD PRO 16 1HD PRO 16 -20.989 5.362 3.437
682 2HD PRO 16 2HD PRO 16 -19.341 5.869 3.863
683 H GLY 17 H GLY 17 -21.715 7.973 8.422
684 1HA GLY 17 1HA GLY 17 -24.428 8.493 7.746
685 2HA GLY 17 2HA GLY 17 -23.745 8.505 9.365
686 H GLY 18 H GLY 18 -25.147 7.328 10.526
687 1HA GLY 18 1HA GLY 18 -26.149 5.434 11.359
688 2HA GLY 18 2HA GLY 18 -25.195 4.504 10.214
No H/Q in entry = 688
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