NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
22738 |
2jqn   |
15281 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1H MET 1 12.462 -2.457 9.481
2 2H MET 1 2H MET 1 13.221 -1.244 8.586
3 3H MET 1 3H MET 1 11.772 -1.911 8.034
4 HA MET 1 HA MET 1 12.154 -0.289 10.486
5 1HB MET 1 2HB MET 1 10.844 1.428 9.360
6 2HB MET 1 1HB MET 1 12.254 1.016 8.397
7 1HG MET 1 2HG MET 1 9.452 0.020 7.904
8 2HG MET 1 1HG MET 1 10.245 1.325 7.027
9 1HE MET 1 1HE MET 1 13.098 -0.574 5.125
10 2HE MET 1 2HE MET 1 13.213 0.262 6.674
11 3HE MET 1 3HE MET 1 12.285 0.973 5.353
12 H THR 2 H THR 2 10.405 -2.826 9.152
13 HA THR 2 HA THR 2 8.617 -4.011 9.876
14 HB THR 2 HB THR 2 8.270 -1.996 12.103
15 HG1 THR 2 HG1 THR 2 9.693 -4.471 12.175
16 1HG2 THR 2 1HG2 THR 2 7.185 -3.889 13.263
17 2HG2 THR 2 2HG2 THR 2 7.375 -4.872 11.808
18 3HG2 THR 2 3HG2 THR 2 6.332 -3.450 11.782
19 H LEU 3 H LEU 3 7.904 -0.550 10.169
20 HA LEU 3 HA LEU 3 5.228 -0.746 9.245
21 1HB LEU 3 2HB LEU 3 7.174 1.523 9.556
22 2HB LEU 3 1HB LEU 3 5.661 1.782 8.710
23 HG LEU 3 HG LEU 3 5.540 2.488 11.061
24 1HD1 LEU 3 1HD1 LEU 3 3.806 0.092 10.452
25 2HD1 LEU 3 2HD1 LEU 3 3.509 1.748 9.921
26 3HD1 LEU 3 3HD1 LEU 3 3.463 1.351 11.639
27 1HD2 LEU 3 1HD2 LEU 3 7.107 0.906 12.053
28 2HD2 LEU 3 2HD2 LEU 3 6.002 -0.427 11.713
29 3HD2 LEU 3 3HD2 LEU 3 5.543 0.828 12.864
30 H ILE 4 H ILE 4 5.086 -1.883 7.348
31 HA ILE 4 HA ILE 4 6.603 -0.980 5.016
32 HB ILE 4 HB ILE 4 5.472 -2.874 3.840
33 1HG1 ILE 4 2HG1 ILE 4 4.373 -3.429 6.615
34 2HG1 ILE 4 1HG1 ILE 4 3.439 -3.068 5.167
35 1HG2 ILE 4 1HG2 ILE 4 7.695 -3.118 4.829
36 2HG2 ILE 4 2HG2 ILE 4 6.787 -4.625 4.938
37 3HG2 ILE 4 3HG2 ILE 4 6.969 -3.601 6.363
38 1HD1 ILE 4 1HD1 ILE 4 3.347 -5.425 5.697
39 2HD1 ILE 4 2HD1 ILE 4 5.106 -5.532 5.636
40 3HD1 ILE 4 3HD1 ILE 4 4.192 -5.173 4.171
41 H TYR 5 H TYR 5 5.576 -0.280 3.065
42 HA TYR 5 HA TYR 5 3.019 1.093 3.616
43 1HB TYR 5 2HB TYR 5 5.296 2.153 1.939
44 2HB TYR 5 1HB TYR 5 3.842 3.016 2.421
45 HD1 TYR 5 HD2 TYR 5 3.572 3.764 4.781
46 HD2 TYR 5 HD1 TYR 5 7.174 1.952 3.414
47 HE1 TYR 5 HE2 TYR 5 4.754 4.626 6.759
48 HE2 TYR 5 HE1 TYR 5 8.362 2.816 5.382
49 HH TYR 5 HH TYR 5 8.183 4.547 7.023
50 H LYS 6 H LYS 6 1.520 1.281 1.998
51 HA LYS 6 HA LYS 6 2.210 0.257 -0.689
52 1HB LYS 6 2HB LYS 6 0.724 -1.348 0.383
53 2HB LYS 6 1HB LYS 6 -0.415 -0.071 0.790
54 1HG LYS 6 2HG LYS 6 -0.871 0.303 -1.579
55 2HG LYS 6 1HG LYS 6 0.306 -0.938 -2.014
56 1HD LYS 6 2HD LYS 6 -1.042 -2.644 -0.919
57 2HD LYS 6 1HD LYS 6 -2.185 -1.418 -0.365
58 1HE LYS 6 2HE LYS 6 -3.045 -2.606 -2.319
59 2HE LYS 6 1HE LYS 6 -2.772 -0.904 -2.683
60 1HZ LYS 6 1HZ LYS 6 -1.995 -2.291 -4.479
61 2HZ LYS 6 2HZ LYS 6 -0.994 -3.164 -3.437
62 3HZ LYS 6 3HZ LYS 6 -0.674 -1.532 -3.744
63 H ILE 7 H ILE 7 2.003 1.755 -2.242
64 HA ILE 7 HA ILE 7 0.571 4.243 -1.643
65 HB ILE 7 HB ILE 7 2.424 3.616 -3.955
66 1HG1 ILE 7 2HG1 ILE 7 2.965 5.154 -1.393
67 2HG1 ILE 7 1HG1 ILE 7 3.588 3.550 -1.767
68 1HG2 ILE 7 1HG2 ILE 7 2.486 6.071 -4.250
69 2HG2 ILE 7 2HG2 ILE 7 1.257 6.233 -2.995
70 3HG2 ILE 7 3HG2 ILE 7 0.875 5.399 -4.501
71 1HD1 ILE 7 1HD1 ILE 7 4.239 6.106 -3.223
72 2HD1 ILE 7 2HD1 ILE 7 4.831 4.503 -3.662
73 3HD1 ILE 7 3HD1 ILE 7 5.290 5.221 -2.118
74 H LEU 8 H LEU 8 -1.322 4.756 -2.571
75 HA LEU 8 HA LEU 8 -2.034 3.707 -5.204
76 1HB LEU 8 2HB LEU 8 -4.159 2.831 -4.576
77 2HB LEU 8 1HB LEU 8 -2.966 2.088 -3.533
78 HG LEU 8 HG LEU 8 -4.753 4.387 -2.713
79 1HD1 LEU 8 1HD1 LEU 8 -6.069 2.379 -3.130
80 2HD1 LEU 8 2HD1 LEU 8 -5.994 2.739 -1.406
81 3HD1 LEU 8 3HD1 LEU 8 -5.000 1.446 -2.081
82 1HD2 LEU 8 1HD2 LEU 8 -4.031 3.831 -0.435
83 2HD2 LEU 8 2HD2 LEU 8 -2.677 4.328 -1.446
84 3HD2 LEU 8 3HD2 LEU 8 -2.924 2.620 -1.082
85 H SER 9 H SER 9 -4.297 4.719 -5.860
86 HA SER 9 HA SER 9 -4.012 7.580 -5.519
87 1HB SER 9 2HB SER 9 -4.602 6.727 -7.718
88 2HB SER 9 1HB SER 9 -6.041 5.942 -7.066
89 HG SER 9 HG SER 9 -5.523 8.730 -7.278
90 H ARG 10 H ARG 10 -5.459 9.003 -4.545
91 HA ARG 10 HA ARG 10 -6.644 8.189 -2.162
92 1HB ARG 10 2HB ARG 10 -5.975 10.525 -2.663
93 2HB ARG 10 1HB ARG 10 -7.335 10.663 -3.769
94 1HG ARG 10 2HG ARG 10 -7.961 11.709 -1.724
95 2HG ARG 10 1HG ARG 10 -8.860 10.194 -1.842
96 1HD ARG 10 2HD ARG 10 -6.841 9.234 -0.475
97 2HD ARG 10 1HD ARG 10 -6.584 10.923 -0.041
98 HE ARG 10 HE ARG 10 -9.283 10.069 0.367
99 1HH1 ARG 10 1HH1 ARG 10 -6.137 10.249 1.762
100 2HH1 ARG 10 2HH1 ARG 10 -6.704 9.881 3.354
101 1HH2 ARG 10 1HH2 ARG 10 -9.999 9.639 2.412
102 2HH2 ARG 10 2HH2 ARG 10 -8.870 9.581 3.724
103 H ALA 11 H ALA 11 -8.197 8.828 -5.300
104 HA ALA 11 HA ALA 11 -10.855 8.473 -4.645
105 1HB ALA 11 1HB ALA 11 -11.212 7.845 -6.979
106 2HB ALA 11 2HB ALA 11 -9.482 7.560 -7.175
107 3HB ALA 11 3HB ALA 11 -10.076 9.189 -6.855
108 H GLU 12 H GLU 12 -8.414 5.989 -5.249
109 HA GLU 12 HA GLU 12 -10.213 3.765 -5.135
110 1HB GLU 12 2HB GLU 12 -7.216 3.793 -4.662
111 2HB GLU 12 1HB GLU 12 -8.202 2.385 -5.044
112 1HG GLU 12 2HG GLU 12 -8.712 3.351 -7.244
113 2HG GLU 12 1HG GLU 12 -7.701 4.744 -6.861
114 H TRP 13 H TRP 13 -8.100 5.379 -2.802
115 HA TRP 13 HA TRP 13 -8.378 3.514 -0.705
116 1HB TRP 13 2HB TRP 13 -6.544 5.084 -0.692
117 2HB TRP 13 1HB TRP 13 -7.655 6.450 -0.644
118 HD1 TRP 13 HD1 TRP 13 -7.583 7.517 1.668
119 HE1 TRP 13 HE1 TRP 13 -7.437 6.691 4.092
120 HE3 TRP 13 HE3 TRP 13 -7.279 2.481 0.793
121 HZ2 TRP 13 HZ2 TRP 13 -7.244 4.235 5.460
122 HZ3 TRP 13 HZ3 TRP 13 -7.124 0.962 2.724
123 HH2 TRP 13 HH2 TRP 13 -7.106 1.823 5.011
124 H ASP 14 H ASP 14 -10.099 6.617 -1.254
125 HA ASP 14 HA ASP 14 -11.712 6.516 1.030
126 1HB ASP 14 2HB ASP 14 -12.194 7.800 -1.665
127 2HB ASP 14 1HB ASP 14 -13.288 8.004 -0.301
128 H ALA 15 H ALA 15 -12.264 5.118 -2.185
129 HA ALA 15 HA ALA 15 -14.856 4.111 -1.751
130 1HB ALA 15 1HB ALA 15 -13.802 4.234 -3.965
131 2HB ALA 15 2HB ALA 15 -14.405 2.614 -3.622
132 3HB ALA 15 3HB ALA 15 -12.678 2.957 -3.501
133 H ALA 16 H ALA 16 -11.691 2.480 -1.369
134 HA ALA 16 HA ALA 16 -12.637 0.062 -0.319
135 1HB ALA 16 1HB ALA 16 -10.025 1.459 0.264
136 2HB ALA 16 2HB ALA 16 -10.345 0.390 -1.102
137 3HB ALA 16 3HB ALA 16 -10.368 -0.249 0.542
138 H LYS 17 H LYS 17 -11.754 3.075 1.314
139 HA LYS 17 HA LYS 17 -12.091 2.216 3.977
140 1HB LYS 17 2HB LYS 17 -10.893 4.268 3.379
141 2HB LYS 17 1HB LYS 17 -12.379 4.980 2.769
142 1HG LYS 17 2HG LYS 17 -13.319 4.858 5.070
143 2HG LYS 17 1HG LYS 17 -11.750 4.280 5.635
144 1HD LYS 17 2HD LYS 17 -12.168 6.905 4.194
145 2HD LYS 17 1HD LYS 17 -12.127 6.740 5.949
146 1HE LYS 17 2HE LYS 17 -9.877 5.916 4.114
147 2HE LYS 17 1HE LYS 17 -9.973 7.480 4.922
148 1HZ LYS 17 1HZ LYS 17 -9.799 4.826 6.250
149 2HZ LYS 17 2HZ LYS 17 -10.003 6.292 7.055
150 3HZ LYS 17 3HZ LYS 17 -8.587 6.003 6.180
151 H ALA 18 H ALA 18 -14.392 3.379 1.574
152 HA ALA 18 HA ALA 18 -16.618 3.680 3.328
153 1HB ALA 18 1HB ALA 18 -16.627 3.088 0.363
154 2HB ALA 18 2HB ALA 18 -16.529 4.695 1.083
155 3HB ALA 18 3HB ALA 18 -17.977 3.715 1.312
156 H GLN 19 H GLN 19 -15.420 0.979 1.363
157 HA GLN 19 HA GLN 19 -17.533 -0.829 2.094
158 1HB GLN 19 2HB GLN 19 -14.792 -1.523 1.017
159 2HB GLN 19 1HB GLN 19 -16.240 -2.518 0.948
160 1HG GLN 19 2HG GLN 19 -17.271 -0.885 -0.557
161 2HG GLN 19 1HG GLN 19 -15.801 0.084 -0.507
162 1HE2 GLN 19 1HE2 GLN 19 -15.341 -0.106 -2.672
163 2HE2 GLN 19 2HE2 GLN 19 -14.839 -1.588 -3.403
164 H GLY 20 H GLY 20 -14.446 0.046 3.447
165 1HA GLY 20 2HA GLY 20 -13.510 -0.591 5.494
166 2HA GLY 20 1HA GLY 20 -14.738 -1.840 5.651
167 H ARG 21 H ARG 21 -13.504 -2.043 2.585
168 HA ARG 21 HA ARG 21 -11.328 -3.891 3.292
169 1HB ARG 21 2HB ARG 21 -12.391 -5.510 1.556
170 2HB ARG 21 1HB ARG 21 -13.046 -5.466 3.188
171 1HG ARG 21 2HG ARG 21 -14.943 -4.248 2.520
172 2HG ARG 21 1HG ARG 21 -14.220 -3.814 0.971
173 1HD ARG 21 2HD ARG 21 -14.680 -6.700 1.624
174 2HD ARG 21 1HD ARG 21 -16.037 -5.699 1.110
175 HE ARG 21 HE ARG 21 -13.776 -5.472 -0.644
176 1HH1 ARG 21 1HH1 ARG 21 -16.532 -7.410 0.112
177 2HH1 ARG 21 2HH1 ARG 21 -16.687 -8.003 -1.505
178 1HH2 ARG 21 1HH2 ARG 21 -13.986 -6.239 -2.697
179 2HH2 ARG 21 2HH2 ARG 21 -15.248 -7.366 -3.072
180 H PHE 22 H PHE 22 -9.759 -4.142 1.730
181 HA PHE 22 HA PHE 22 -10.225 -2.902 -0.907
182 1HB PHE 22 2HB PHE 22 -8.716 -1.464 0.411
183 2HB PHE 22 1HB PHE 22 -7.641 -2.830 0.689
184 HD1 PHE 22 HD1 PHE 22 -8.985 -0.555 -1.903
185 HD2 PHE 22 HD2 PHE 22 -6.020 -3.461 -0.940
186 HE1 PHE 22 HE1 PHE 22 -7.775 -0.008 -3.974
187 HE2 PHE 22 HE2 PHE 22 -4.812 -2.916 -3.011
188 HZ PHE 22 HZ PHE 22 -5.687 -1.190 -4.531
189 H GLU 23 H GLU 23 -10.595 -4.737 -2.056
190 HA GLU 23 HA GLU 23 -9.071 -7.132 -1.765
191 1HB GLU 23 2HB GLU 23 -10.211 -7.884 -3.829
192 2HB GLU 23 1HB GLU 23 -11.324 -7.284 -2.611
193 1HG GLU 23 2HG GLU 23 -10.377 -5.604 -4.924
194 2HG GLU 23 1HG GLU 23 -11.800 -6.638 -5.009
195 H GLY 24 H GLY 24 -7.837 -8.136 -3.598
196 1HA GLY 24 2HA GLY 24 -5.629 -6.511 -4.276
197 2HA GLY 24 1HA GLY 24 -5.943 -8.122 -4.899
198 H SER 25 H SER 25 -5.720 -4.861 -5.688
199 HA SER 25 HA SER 25 -7.497 -4.690 -7.893
200 1HB SER 25 2HB SER 25 -6.608 -2.660 -6.946
201 2HB SER 25 1HB SER 25 -4.952 -3.173 -7.265
202 HG SER 25 HG SER 25 -6.009 -1.639 -8.796
203 H ALA 26 H ALA 26 -6.920 -4.583 -10.174
204 HA ALA 26 HA ALA 26 -5.745 -6.871 -11.184
205 1HB ALA 26 1HB ALA 26 -5.773 -5.779 -13.363
206 2HB ALA 26 2HB ALA 26 -5.964 -4.206 -12.586
207 3HB ALA 26 3HB ALA 26 -7.246 -5.410 -12.464
208 H VAL 27 H VAL 27 -4.214 -3.746 -10.552
209 HA VAL 27 HA VAL 27 -1.724 -4.252 -11.785
210 HB VAL 27 HB VAL 27 -2.268 -2.508 -9.367
211 1HG1 VAL 27 1HG1 VAL 27 -0.257 -1.272 -10.072
212 2HG1 VAL 27 2HG1 VAL 27 0.013 -2.458 -11.350
213 3HG1 VAL 27 3HG1 VAL 27 0.110 -2.946 -9.659
214 1HG2 VAL 27 1HG2 VAL 27 -3.708 -1.920 -11.265
215 2HG2 VAL 27 2HG2 VAL 27 -2.288 -1.783 -12.304
216 3HG2 VAL 27 3HG2 VAL 27 -2.509 -0.665 -10.957
217 H ASP 28 H ASP 28 -2.739 -4.674 -8.379
218 HA ASP 28 HA ASP 28 -0.319 -5.783 -7.454
219 1HB ASP 28 2HB ASP 28 -3.153 -6.006 -6.430
220 2HB ASP 28 1HB ASP 28 -1.776 -6.712 -5.587
221 H LEU 29 H LEU 29 -3.285 -7.354 -8.636
222 HA LEU 29 HA LEU 29 -2.389 -10.014 -8.308
223 1HB LEU 29 2HB LEU 29 -4.418 -8.897 -10.251
224 2HB LEU 29 1HB LEU 29 -4.210 -10.597 -9.873
225 HG LEU 29 HG LEU 29 -5.081 -8.460 -7.915
226 1HD1 LEU 29 1HD1 LEU 29 -7.255 -9.544 -7.980
227 2HD1 LEU 29 2HD1 LEU 29 -6.666 -10.692 -9.184
228 3HD1 LEU 29 3HD1 LEU 29 -6.793 -8.980 -9.587
229 1HD2 LEU 29 1HD2 LEU 29 -5.536 -10.357 -6.402
230 2HD2 LEU 29 2HD2 LEU 29 -3.822 -10.194 -6.784
231 3HD2 LEU 29 3HD2 LEU 29 -4.784 -11.447 -7.569
232 H ALA 30 H ALA 30 -1.981 -7.706 -10.940
233 HA ALA 30 HA ALA 30 -0.977 -9.468 -12.902
234 1HB ALA 30 1HB ALA 30 -0.388 -6.531 -12.513
235 2HB ALA 30 2HB ALA 30 -1.736 -7.210 -13.428
236 3HB ALA 30 3HB ALA 30 -0.080 -7.460 -13.980
237 H ASP 31 H ASP 31 0.639 -7.702 -10.292
238 HA ASP 31 HA ASP 31 3.274 -8.635 -11.040
239 1HB ASP 31 2HB ASP 31 2.974 -6.461 -9.927
240 2HB ASP 31 1HB ASP 31 2.325 -7.273 -8.505
241 H GLY 32 H GLY 32 1.062 -9.290 -8.326
242 1HA GLY 32 2HA GLY 32 1.095 -11.950 -8.112
243 2HA GLY 32 1HA GLY 32 2.671 -11.556 -7.443
244 H PHE 33 H PHE 33 -0.777 -10.753 -7.107
245 HA PHE 33 HA PHE 33 -2.112 -10.352 -5.317
246 1HB PHE 33 2HB PHE 33 0.200 -11.517 -3.743
247 2HB PHE 33 1HB PHE 33 -1.348 -11.073 -3.032
248 HD1 PHE 33 HD1 PHE 33 0.345 -13.409 -5.328
249 HD2 PHE 33 HD2 PHE 33 -3.290 -12.449 -3.320
250 HE1 PHE 33 HE1 PHE 33 -0.559 -15.625 -5.905
251 HE2 PHE 33 HE2 PHE 33 -4.193 -14.663 -3.893
252 HZ PHE 33 HZ PHE 33 -2.829 -16.252 -5.187
253 H ILE 34 H ILE 34 -1.851 -9.201 -2.892
254 HA ILE 34 HA ILE 34 -1.418 -6.512 -3.600
255 HB ILE 34 HB ILE 34 -1.687 -7.704 -0.832
256 1HG1 ILE 34 2HG1 ILE 34 -3.751 -6.524 -2.721
257 2HG1 ILE 34 1HG1 ILE 34 -3.595 -8.223 -2.289
258 1HG2 ILE 34 1HG2 ILE 34 -1.991 -4.844 -1.767
259 2HG2 ILE 34 2HG2 ILE 34 -0.728 -5.475 -0.709
260 3HG2 ILE 34 3HG2 ILE 34 -2.402 -5.435 -0.157
261 1HD1 ILE 34 1HD1 ILE 34 -4.358 -5.972 -0.441
262 2HD1 ILE 34 2HD1 ILE 34 -4.150 -7.658 0.037
263 3HD1 ILE 34 3HD1 ILE 34 -5.426 -7.213 -1.096
264 H HIS 35 H HIS 35 0.562 -5.798 -4.132
265 HA HIS 35 HA HIS 35 2.908 -6.759 -2.713
266 1HB HIS 35 2HB HIS 35 4.143 -5.298 -4.396
267 2HB HIS 35 1HB HIS 35 3.243 -6.663 -5.038
268 HD1 HIS 35 HD1 HIS 35 2.569 -2.947 -4.466
269 HD2 HIS 35 HD2 HIS 35 1.795 -5.980 -7.195
270 HE1 HIS 35 HE1 HIS 35 1.323 -1.853 -6.348
271 HE2 HIS 35 HE2 HIS 35 0.690 -3.745 -7.874
272 H LEU 36 H LEU 36 3.215 -5.881 -0.768
273 HA LEU 36 HA LEU 36 3.042 -2.988 -0.385
274 1HB LEU 36 2HB LEU 36 3.941 -5.101 1.588
275 2HB LEU 36 1HB LEU 36 3.449 -3.455 1.951
276 HG LEU 36 HG LEU 36 1.632 -5.650 0.918
277 1HD1 LEU 36 1HD1 LEU 36 0.598 -5.561 3.130
278 2HD1 LEU 36 2HD1 LEU 36 1.808 -4.389 3.656
279 3HD1 LEU 36 3HD1 LEU 36 2.294 -6.031 3.229
280 1HD2 LEU 36 1HD2 LEU 36 0.925 -3.468 0.122
281 2HD2 LEU 36 2HD2 LEU 36 0.997 -2.823 1.761
282 3HD2 LEU 36 3HD2 LEU 36 -0.188 -4.066 1.351
283 H SER 37 H SER 37 5.019 -1.949 0.756
284 HA SER 37 HA SER 37 7.562 -3.113 -0.144
285 1HB SER 37 2HB SER 37 8.257 -1.008 -1.237
286 2HB SER 37 1HB SER 37 6.848 -1.715 -2.022
287 HG SER 37 HG SER 37 5.709 -0.188 -0.398
288 H ALA 38 H ALA 38 9.310 -2.624 1.100
289 HA ALA 38 HA ALA 38 8.937 -1.424 3.654
290 1HB ALA 38 1HB ALA 38 11.509 -2.094 2.213
291 2HB ALA 38 2HB ALA 38 10.606 -3.173 3.277
292 3HB ALA 38 3HB ALA 38 11.357 -1.716 3.929
293 H GLY 39 H GLY 39 10.095 0.483 4.484
294 1HA GLY 39 2HA GLY 39 9.437 2.836 3.275
295 2HA GLY 39 1HA GLY 39 10.764 2.697 4.410
296 H GLU 40 H GLU 40 12.657 1.324 2.979
297 HA GLU 40 HA GLU 40 13.764 3.343 1.334
298 1HB GLU 40 2HB GLU 40 14.585 0.432 1.560
299 2HB GLU 40 1HB GLU 40 15.574 1.738 0.916
300 1HG GLU 40 2HG GLU 40 15.530 2.823 3.140
301 2HG GLU 40 1HG GLU 40 14.619 1.450 3.765
302 H GLN 41 H GLN 41 12.201 0.259 0.576
303 HA GLN 41 HA GLN 41 12.635 0.288 -2.220
304 1HB GLN 41 2HB GLN 41 10.471 -1.076 -0.598
305 2HB GLN 41 1HB GLN 41 10.832 -1.421 -2.285
306 1HG GLN 41 2HG GLN 41 13.006 -2.267 -1.703
307 2HG GLN 41 1HG GLN 41 12.791 -1.787 -0.019
308 1HE2 GLN 41 1HE2 GLN 41 13.297 -4.431 -1.209
309 2HE2 GLN 41 2HE2 GLN 41 12.011 -5.438 -0.644
310 H ALA 42 H ALA 42 9.976 1.444 -0.206
311 HA ALA 42 HA ALA 42 8.150 2.126 -2.223
312 1HB ALA 42 1HB ALA 42 7.530 1.949 0.136
313 2HB ALA 42 2HB ALA 42 7.070 3.519 -0.524
314 3HB ALA 42 3HB ALA 42 8.496 3.378 0.506
315 H GLN 43 H GLN 43 10.561 4.152 -0.546
316 HA GLN 43 HA GLN 43 10.035 6.569 -1.830
317 1HB GLN 43 2HB GLN 43 11.610 6.012 0.169
318 2HB GLN 43 1HB GLN 43 12.836 5.747 -1.061
319 1HG GLN 43 2HG GLN 43 11.295 8.319 -0.729
320 2HG GLN 43 1HG GLN 43 12.870 8.008 -0.008
321 1HE2 GLN 43 1HE2 GLN 43 12.038 10.042 -1.952
322 2HE2 GLN 43 2HE2 GLN 43 13.056 9.826 -3.323
323 H GLU 44 H GLU 44 12.420 4.063 -2.722
324 HA GLU 44 HA GLU 44 13.436 5.268 -5.032
325 1HB GLU 44 2HB GLU 44 14.454 3.295 -3.959
326 2HB GLU 44 1HB GLU 44 13.077 2.314 -4.448
327 1HG GLU 44 2HG GLU 44 13.679 2.929 -6.840
328 2HG GLU 44 1HG GLU 44 15.193 3.552 -6.189
329 H THR 45 H THR 45 10.905 2.749 -4.850
330 HA THR 45 HA THR 45 10.258 2.741 -7.584
331 HB THR 45 HB THR 45 8.385 2.083 -5.291
332 HG1 THR 45 HG1 THR 45 9.780 0.519 -4.969
333 1HG2 THR 45 1HG2 THR 45 7.306 0.596 -6.937
334 2HG2 THR 45 2HG2 THR 45 8.411 1.178 -8.183
335 3HG2 THR 45 3HG2 THR 45 7.242 2.282 -7.455
336 H ALA 46 H ALA 46 9.155 4.795 -4.960
337 HA ALA 46 HA ALA 46 7.019 6.081 -6.268
338 1HB ALA 46 1HB ALA 46 7.419 6.268 -3.862
339 2HB ALA 46 2HB ALA 46 7.315 7.858 -4.616
340 3HB ALA 46 3HB ALA 46 8.887 7.194 -4.171
341 H ALA 47 H ALA 47 10.494 6.876 -6.122
342 HA ALA 47 HA ALA 47 10.336 9.246 -7.669
343 1HB ALA 47 1HB ALA 47 12.758 9.066 -7.859
344 2HB ALA 47 2HB ALA 47 12.692 7.396 -7.293
345 3HB ALA 47 3HB ALA 47 12.238 8.711 -6.211
346 H LYS 48 H LYS 48 10.678 5.864 -8.554
347 HA LYS 48 HA LYS 48 11.371 6.373 -11.291
348 1HB LYS 48 2HB LYS 48 10.572 3.873 -9.799
349 2HB LYS 48 1HB LYS 48 11.021 3.890 -11.492
350 1HG LYS 48 2HG LYS 48 13.242 4.687 -10.942
351 2HG LYS 48 1HG LYS 48 12.804 4.779 -9.234
352 1HD LYS 48 2HD LYS 48 12.497 2.374 -9.144
353 2HD LYS 48 1HD LYS 48 12.797 2.242 -10.879
354 1HE LYS 48 2HE LYS 48 15.081 3.038 -10.560
355 2HE LYS 48 1HE LYS 48 14.781 3.232 -8.832
356 1HZ LYS 48 1HZ LYS 48 15.969 1.164 -9.436
357 2HZ LYS 48 2HZ LYS 48 14.591 0.639 -10.260
358 3HZ LYS 48 3HZ LYS 48 14.530 0.891 -8.589
359 H TRP 49 H TRP 49 8.427 5.101 -9.690
360 HA TRP 49 HA TRP 49 7.068 5.197 -12.300
361 1HB TRP 49 2HB TRP 49 6.460 3.532 -9.854
362 2HB TRP 49 1HB TRP 49 5.525 3.506 -11.347
363 HD1 TRP 49 HD1 TRP 49 8.662 2.113 -9.781
364 HE1 TRP 49 HE1 TRP 49 9.818 0.517 -11.437
365 HE3 TRP 49 HE3 TRP 49 5.923 3.166 -13.965
366 HZ2 TRP 49 HZ2 TRP 49 9.594 -0.201 -14.159
367 HZ3 TRP 49 HZ3 TRP 49 6.458 1.983 -16.054
368 HH2 TRP 49 HH2 TRP 49 8.256 0.335 -16.149
369 H PHE 50 H PHE 50 6.613 6.142 -8.902
370 HA PHE 50 HA PHE 50 3.893 7.024 -9.436
371 1HB PHE 50 2HB PHE 50 5.547 7.018 -6.905
372 2HB PHE 50 1HB PHE 50 3.889 7.607 -6.992
373 HD1 PHE 50 HD1 PHE 50 2.048 6.026 -7.572
374 HD2 PHE 50 HD2 PHE 50 6.015 4.683 -6.784
375 HE1 PHE 50 HE1 PHE 50 1.206 3.743 -7.210
376 HE2 PHE 50 HE2 PHE 50 5.174 2.402 -6.427
377 HZ PHE 50 HZ PHE 50 2.765 1.930 -6.638
378 H ARG 51 H ARG 51 6.782 8.383 -10.030
379 HA ARG 51 HA ARG 51 6.637 11.019 -9.134
380 1HB ARG 51 2HB ARG 51 8.006 11.544 -11.178
381 2HB ARG 51 1HB ARG 51 8.637 10.241 -10.185
382 1HG ARG 51 2HG ARG 51 7.754 8.590 -11.730
383 2HG ARG 51 1HG ARG 51 7.029 9.863 -12.710
384 1HD ARG 51 2HD ARG 51 9.214 10.734 -13.275
385 2HD ARG 51 1HD ARG 51 9.989 9.585 -12.184
386 HE ARG 51 HE ARG 51 9.636 7.893 -13.728
387 1HH1 ARG 51 1HH1 ARG 51 8.129 10.806 -14.797
388 2HH1 ARG 51 2HH1 ARG 51 7.900 10.218 -16.406
389 1HH2 ARG 51 1HH2 ARG 51 9.336 7.161 -15.803
390 2HH2 ARG 51 2HH2 ARG 51 8.567 8.187 -16.966
391 H GLY 52 H GLY 52 5.646 12.889 -9.886
392 1HA GLY 52 2HA GLY 52 4.303 14.230 -11.240
393 2HA GLY 52 1HA GLY 52 4.097 12.881 -12.342
394 H GLN 53 H GLN 53 3.252 11.296 -9.776
395 HA GLN 53 HA GLN 53 0.423 11.889 -10.108
396 1HB GLN 53 2HB GLN 53 1.711 9.709 -8.453
397 2HB GLN 53 1HB GLN 53 0.023 9.807 -8.934
398 1HG GLN 53 2HG GLN 53 0.700 9.567 -11.293
399 2HG GLN 53 1HG GLN 53 2.379 9.409 -10.776
400 1HE2 GLN 53 1HE2 GLN 53 0.778 7.495 -12.241
401 2HE2 GLN 53 2HE2 GLN 53 0.721 6.067 -11.276
402 H ALA 54 H ALA 54 -0.103 13.701 -8.965
403 HA ALA 54 HA ALA 54 0.734 13.934 -6.158
404 1HB ALA 54 1HB ALA 54 1.160 15.842 -7.639
405 2HB ALA 54 2HB ALA 54 0.065 16.265 -6.323
406 3HB ALA 54 3HB ALA 54 -0.572 15.988 -7.945
407 H ASN 55 H ASN 55 -1.048 11.981 -6.282
408 HA ASN 55 HA ASN 55 -3.213 13.001 -4.673
409 1HB ASN 55 2HB ASN 55 -5.014 11.894 -6.036
410 2HB ASN 55 1HB ASN 55 -4.296 13.305 -6.800
411 1HD2 ASN 55 1HD2 ASN 55 -3.064 13.039 -8.648
412 2HD2 ASN 55 2HD2 ASN 55 -3.052 11.567 -9.549
413 H LEU 56 H LEU 56 -1.032 11.357 -4.123
414 HA LEU 56 HA LEU 56 -1.969 8.583 -4.183
415 1HB LEU 56 2HB LEU 56 0.715 9.671 -3.330
416 2HB LEU 56 1HB LEU 56 0.311 7.988 -3.617
417 HG LEU 56 HG LEU 56 0.399 10.167 -5.714
418 1HD1 LEU 56 1HD1 LEU 56 2.339 8.966 -6.582
419 2HD1 LEU 56 2HD1 LEU 56 2.244 7.826 -5.239
420 3HD1 LEU 56 3HD1 LEU 56 2.617 9.522 -4.931
421 1HD2 LEU 56 1HD2 LEU 56 -0.135 7.208 -6.025
422 2HD2 LEU 56 2HD2 LEU 56 0.044 8.375 -7.337
423 3HD2 LEU 56 3HD2 LEU 56 -1.317 8.503 -6.226
424 H VAL 57 H VAL 57 -1.925 7.241 -2.348
425 HA VAL 57 HA VAL 57 -1.882 8.586 0.282
426 HB VAL 57 HB VAL 57 -3.622 6.225 -0.500
427 1HG1 VAL 57 1HG1 VAL 57 -4.654 6.527 1.712
428 2HG1 VAL 57 2HG1 VAL 57 -3.488 7.798 2.081
429 3HG1 VAL 57 3HG1 VAL 57 -2.938 6.139 1.841
430 1HG2 VAL 57 1HG2 VAL 57 -4.387 9.103 0.021
431 2HG2 VAL 57 2HG2 VAL 57 -5.515 7.774 -0.253
432 3HG2 VAL 57 3HG2 VAL 57 -4.419 8.281 -1.538
433 H LEU 58 H LEU 58 -0.504 7.756 1.720
434 HA LEU 58 HA LEU 58 0.985 5.327 1.034
435 1HB LEU 58 2HB LEU 58 2.116 7.543 1.558
436 2HB LEU 58 1HB LEU 58 1.577 7.338 3.213
437 HG LEU 58 HG LEU 58 2.883 5.193 3.300
438 1HD1 LEU 58 1HD1 LEU 58 2.997 4.693 0.936
439 2HD1 LEU 58 2HD1 LEU 58 4.623 4.849 1.597
440 3HD1 LEU 58 3HD1 LEU 58 3.933 6.160 0.640
441 1HD2 LEU 58 1HD2 LEU 58 5.057 6.285 3.549
442 2HD2 LEU 58 2HD2 LEU 58 3.768 7.263 4.246
443 3HD2 LEU 58 3HD2 LEU 58 4.455 7.697 2.680
444 H LEU 59 H LEU 59 -0.079 3.549 1.799
445 HA LEU 59 HA LEU 59 -1.419 3.594 4.386
446 1HB LEU 59 2HB LEU 59 -1.052 1.334 2.409
447 2HB LEU 59 1HB LEU 59 -2.071 1.283 3.837
448 HG LEU 59 HG LEU 59 -2.475 3.039 1.409
449 1HD1 LEU 59 1HD1 LEU 59 -4.093 0.727 2.481
450 2HD1 LEU 59 2HD1 LEU 59 -3.060 0.694 1.051
451 3HD1 LEU 59 3HD1 LEU 59 -4.497 1.718 1.078
452 1HD2 LEU 59 1HD2 LEU 59 -4.547 3.766 2.490
453 2HD2 LEU 59 2HD2 LEU 59 -3.135 4.225 3.440
454 3HD2 LEU 59 3HD2 LEU 59 -4.121 2.849 3.936
455 H ALA 60 H ALA 60 -0.284 3.294 6.202
456 HA ALA 60 HA ALA 60 2.208 1.744 6.154
457 1HB ALA 60 1HB ALA 60 2.654 2.743 8.336
458 2HB ALA 60 2HB ALA 60 1.058 3.493 8.333
459 3HB ALA 60 3HB ALA 60 2.266 3.986 7.147
460 H VAL 61 H VAL 61 2.277 -0.294 6.837
461 HA VAL 61 HA VAL 61 0.323 -1.236 8.854
462 HB VAL 61 HB VAL 61 1.488 -2.863 6.572
463 1HG1 VAL 61 1HG1 VAL 61 -0.037 -4.634 7.311
464 2HG1 VAL 61 2HG1 VAL 61 -0.557 -3.631 8.665
465 3HG1 VAL 61 3HG1 VAL 61 1.108 -4.208 8.585
466 1HG2 VAL 61 1HG2 VAL 61 -0.164 -1.288 5.742
467 2HG2 VAL 61 2HG2 VAL 61 -1.312 -1.795 6.981
468 3HG2 VAL 61 3HG2 VAL 61 -0.831 -2.922 5.712
469 H GLU 62 H GLU 62 1.169 -2.222 10.630
470 HA GLU 62 HA GLU 62 4.029 -2.159 11.009
471 1HB GLU 62 2HB GLU 62 1.802 -3.051 12.857
472 2HB GLU 62 1HB GLU 62 3.487 -2.860 13.329
473 1HG GLU 62 2HG GLU 62 3.395 -0.497 12.926
474 2HG GLU 62 1HG GLU 62 1.775 -0.631 12.241
475 H ALA 63 H ALA 63 4.248 -3.847 9.202
476 HA ALA 63 HA ALA 63 4.460 -6.000 8.399
477 1HB ALA 63 1HB ALA 63 6.027 -6.180 10.963
478 2HB ALA 63 2HB ALA 63 6.567 -5.389 9.482
479 3HB ALA 63 3HB ALA 63 6.286 -7.130 9.500
480 H GLU 64 H GLU 64 4.338 -6.820 11.877
481 HA GLU 64 HA GLU 64 3.360 -8.483 13.028
482 1HB GLU 64 2HB GLU 64 1.441 -8.421 10.714
483 2HB GLU 64 1HB GLU 64 1.310 -9.653 11.960
484 1HG GLU 64 2HG GLU 64 1.213 -6.676 12.428
485 2HG GLU 64 1HG GLU 64 -0.181 -7.755 12.376
486 HA PRO 65 HA PRO 65 5.854 -11.837 11.651
487 1HB PRO 65 2HB PRO 65 4.719 -13.434 13.842
488 2HB PRO 65 1HB PRO 65 6.359 -12.815 13.639
489 1HG PRO 65 2HG PRO 65 4.673 -11.824 15.498
490 2HG PRO 65 1HG PRO 65 5.876 -10.812 14.676
491 1HD PRO 65 2HD PRO 65 2.933 -11.066 14.140
492 2HD PRO 65 1HD PRO 65 3.946 -9.609 14.200
493 H LEU 66 H LEU 66 2.963 -11.769 10.566
494 HA LEU 66 HA LEU 66 2.378 -14.623 10.402
495 1HB LEU 66 2HB LEU 66 0.417 -13.666 8.929
496 2HB LEU 66 1HB LEU 66 0.364 -13.600 10.678
497 HG LEU 66 HG LEU 66 1.156 -11.225 10.562
498 1HD1 LEU 66 1HD1 LEU 66 0.998 -10.017 8.453
499 2HD1 LEU 66 2HD1 LEU 66 0.661 -11.525 7.600
500 3HD1 LEU 66 3HD1 LEU 66 2.228 -11.280 8.371
501 1HD2 LEU 66 1HD2 LEU 66 -1.417 -11.850 9.113
502 2HD2 LEU 66 2HD2 LEU 66 -1.007 -10.310 9.872
503 3HD2 LEU 66 3HD2 LEU 66 -1.198 -11.756 10.861
504 H GLY 67 H GLY 67 4.638 -14.576 9.280
505 1HA GLY 67 2HA GLY 67 4.988 -13.733 6.633
506 2HA GLY 67 1HA GLY 67 5.864 -15.048 7.393
507 H GLU 68 H GLU 68 2.988 -16.250 7.753
508 HA GLU 68 HA GLU 68 2.930 -17.969 5.546
509 1HB GLU 68 2HB GLU 68 0.616 -18.496 6.393
510 2HB GLU 68 1HB GLU 68 1.899 -18.641 7.580
511 1HG GLU 68 2HG GLU 68 1.268 -16.272 8.304
512 2HG GLU 68 1HG GLU 68 -0.190 -16.494 7.338
513 H ASP 69 H ASP 69 1.124 -14.973 6.189
514 HA ASP 69 HA ASP 69 0.007 -15.082 3.463
515 1HB ASP 69 2HB ASP 69 -0.849 -13.477 5.882
516 2HB ASP 69 1HB ASP 69 -1.578 -13.335 4.283
517 H LEU 70 H LEU 70 1.996 -13.125 5.604
518 HA LEU 70 HA LEU 70 2.432 -11.192 3.420
519 1HB LEU 70 2HB LEU 70 1.794 -10.244 5.596
520 2HB LEU 70 1HB LEU 70 3.175 -11.022 6.347
521 HG LEU 70 HG LEU 70 4.679 -9.643 4.902
522 1HD1 LEU 70 1HD1 LEU 70 3.749 -7.692 3.757
523 2HD1 LEU 70 2HD1 LEU 70 2.117 -8.238 4.144
524 3HD1 LEU 70 3HD1 LEU 70 3.138 -9.198 3.073
525 1HD2 LEU 70 1HD2 LEU 70 2.762 -8.084 6.640
526 2HD2 LEU 70 2HD2 LEU 70 4.378 -7.571 6.154
527 3HD2 LEU 70 3HD2 LEU 70 4.177 -8.977 7.198
528 H LYS 71 H LYS 71 3.987 -11.994 2.106
529 HA LYS 71 HA LYS 71 6.423 -13.120 3.358
530 1HB LYS 71 2HB LYS 71 5.243 -13.690 0.629
531 2HB LYS 71 1HB LYS 71 6.747 -14.367 1.242
532 1HG LYS 71 2HG LYS 71 5.494 -15.464 3.053
533 2HG LYS 71 1HG LYS 71 3.994 -14.817 2.386
534 1HD LYS 71 2HD LYS 71 4.365 -16.059 0.314
535 2HD LYS 71 1HD LYS 71 5.894 -16.678 0.946
536 1HE LYS 71 2HE LYS 71 3.143 -17.206 2.078
537 2HE LYS 71 1HE LYS 71 4.138 -18.347 1.171
538 1HZ LYS 71 1HZ LYS 71 5.806 -18.181 2.949
539 2HZ LYS 71 2HZ LYS 71 4.333 -18.791 3.503
540 3HZ LYS 71 3HZ LYS 71 4.761 -17.188 3.834
541 H TRP 72 H TRP 72 8.206 -11.918 3.180
542 HA TRP 72 HA TRP 72 8.491 -9.752 1.336
543 1HB TRP 72 2HB TRP 72 10.566 -11.215 3.002
544 2HB TRP 72 1HB TRP 72 10.874 -9.735 2.097
545 HD1 TRP 72 HD1 TRP 72 8.584 -10.946 4.993
546 HE1 TRP 72 HE1 TRP 72 8.209 -8.964 6.588
547 HE3 TRP 72 HE3 TRP 72 11.099 -7.333 2.392
548 HZ2 TRP 72 HZ2 TRP 72 8.891 -6.228 6.741
549 HZ3 TRP 72 HZ3 TRP 72 11.193 -5.054 3.335
550 HH2 TRP 72 HH2 TRP 72 10.112 -4.516 5.461
551 H GLU 73 H GLU 73 7.983 -10.738 -0.665
552 HA GLU 73 HA GLU 73 9.683 -12.972 -1.522
553 1HB GLU 73 2HB GLU 73 7.161 -13.159 -1.533
554 2HB GLU 73 1HB GLU 73 7.154 -11.985 -2.844
555 1HG GLU 73 2HG GLU 73 6.979 -14.269 -3.681
556 2HG GLU 73 1HG GLU 73 8.464 -13.495 -4.233
557 H ALA 74 H ALA 74 10.950 -12.928 -3.296
558 HA ALA 74 HA ALA 74 11.759 -10.356 -4.284
559 1HB ALA 74 1HB ALA 74 13.436 -11.588 -5.559
560 2HB ALA 74 2HB ALA 74 12.646 -13.111 -5.146
561 3HB ALA 74 3HB ALA 74 13.390 -12.133 -3.881
562 H SER 75 H SER 75 10.105 -9.443 -5.486
563 HA SER 75 HA SER 75 8.751 -10.837 -7.593
564 1HB SER 75 2HB SER 75 7.629 -8.953 -6.551
565 2HB SER 75 1HB SER 75 8.943 -7.867 -7.010
566 HG SER 75 HG SER 75 6.859 -8.129 -8.386
567 H ARG 76 H ARG 76 9.008 -10.652 -9.828
568 HA ARG 76 HA ARG 76 10.160 -10.576 -11.792
569 1HB ARG 76 2HB ARG 76 11.349 -8.056 -10.607
570 2HB ARG 76 1HB ARG 76 11.315 -8.481 -12.313
571 1HG ARG 76 2HG ARG 76 8.905 -8.312 -12.355
572 2HG ARG 76 1HG ARG 76 8.865 -8.021 -10.615
573 1HD ARG 76 2HD ARG 76 10.206 -5.954 -10.987
574 2HD ARG 76 1HD ARG 76 10.075 -6.228 -12.725
575 HE ARG 76 HE ARG 76 7.500 -6.219 -11.949
576 1HH1 ARG 76 1HH1 ARG 76 10.101 -4.029 -11.393
577 2HH1 ARG 76 2HH1 ARG 76 9.060 -2.665 -11.217
578 1HH2 ARG 76 1HH2 ARG 76 6.169 -4.438 -11.741
579 2HH2 ARG 76 2HH2 ARG 76 6.874 -2.892 -11.402
580 H GLY 77 H GLY 77 11.450 -11.844 -9.355
581 1HA GLY 77 2HA GLY 77 13.406 -12.917 -8.814
582 2HA GLY 77 1HA GLY 77 13.894 -12.664 -10.481
583 H GLY 78 H GLY 78 13.246 -10.220 -7.956
584 1HA GLY 78 2HA GLY 78 16.124 -9.573 -7.886
585 2HA GLY 78 1HA GLY 78 14.994 -8.320 -8.362
586 H ALA 79 H ALA 79 13.842 -7.231 -6.803
587 HA ALA 79 HA ALA 79 14.969 -7.332 -4.146
588 1HB ALA 79 1HB ALA 79 12.828 -5.521 -5.270
589 2HB ALA 79 2HB ALA 79 14.561 -5.194 -5.273
590 3HB ALA 79 3HB ALA 79 13.684 -5.297 -3.746
591 H ARG 80 H ARG 80 13.892 -7.721 -2.191
592 HA ARG 80 HA ARG 80 11.618 -9.530 -2.409
593 1HB ARG 80 2HB ARG 80 13.280 -8.732 -0.007
594 2HB ARG 80 1HB ARG 80 11.952 -9.881 0.043
595 1HG ARG 80 2HG ARG 80 13.756 -11.278 -0.107
596 2HG ARG 80 1HG ARG 80 13.305 -11.125 -1.804
597 1HD ARG 80 2HD ARG 80 15.671 -10.902 -1.696
598 2HD ARG 80 1HD ARG 80 15.028 -9.283 -1.978
599 HE ARG 80 HE ARG 80 15.384 -9.816 0.798
600 1HH1 ARG 80 1HH1 ARG 80 17.094 -8.946 -2.057
601 2HH1 ARG 80 2HH1 ARG 80 18.352 -8.142 -1.189
602 1HH2 ARG 80 1HH2 ARG 80 17.019 -8.801 1.907
603 2HH2 ARG 80 2HH2 ARG 80 18.308 -8.059 1.024
604 H PHE 81 H PHE 81 9.829 -8.304 -2.848
605 HA PHE 81 HA PHE 81 9.087 -6.140 -1.024
606 1HB PHE 81 2HB PHE 81 7.687 -7.203 -3.494
607 2HB PHE 81 1HB PHE 81 7.164 -5.811 -2.554
608 HD1 PHE 81 HD1 PHE 81 8.709 -3.800 -2.420
609 HD2 PHE 81 HD2 PHE 81 9.274 -6.973 -5.206
610 HE1 PHE 81 HE1 PHE 81 10.116 -2.333 -3.805
611 HE2 PHE 81 HE2 PHE 81 10.677 -5.508 -6.593
612 HZ PHE 81 HZ PHE 81 11.103 -3.186 -5.893
613 HA PRO 82 HA PRO 82 6.638 -8.983 1.459
614 1HB PRO 82 2HB PRO 82 5.229 -7.071 2.844
615 2HB PRO 82 1HB PRO 82 6.875 -7.573 3.245
616 1HG PRO 82 2HG PRO 82 5.948 -5.179 1.702
617 2HG PRO 82 1HG PRO 82 7.232 -5.300 2.919
618 1HD PRO 82 2HD PRO 82 7.765 -5.230 0.270
619 2HD PRO 82 1HD PRO 82 8.759 -6.164 1.407
620 H HIS 83 H HIS 83 5.277 -9.970 -0.003
621 HA HIS 83 HA HIS 83 2.954 -8.525 -1.036
622 1HB HIS 83 2HB HIS 83 4.069 -11.277 -1.625
623 2HB HIS 83 1HB HIS 83 2.552 -10.690 -2.297
624 HD1 HIS 83 HD1 HIS 83 6.266 -10.012 -2.418
625 HD2 HIS 83 HD2 HIS 83 2.798 -9.032 -4.485
626 HE1 HIS 83 HE1 HIS 83 7.035 -8.882 -4.520
627 HE2 HIS 83 HE2 HIS 83 4.929 -8.367 -5.791
628 H LEU 84 H LEU 84 1.018 -8.635 -0.107
629 HA LEU 84 HA LEU 84 0.451 -10.654 1.928
630 1HB LEU 84 2HB LEU 84 -0.072 -8.264 2.347
631 2HB LEU 84 1HB LEU 84 -1.195 -8.287 1.001
632 HG LEU 84 HG LEU 84 -2.574 -9.963 2.207
633 1HD1 LEU 84 1HD1 LEU 84 -2.154 -10.386 4.584
634 2HD1 LEU 84 2HD1 LEU 84 -0.641 -9.487 4.476
635 3HD1 LEU 84 3HD1 LEU 84 -0.840 -10.989 3.574
636 1HD2 LEU 84 1HD2 LEU 84 -2.028 -7.415 3.739
637 2HD2 LEU 84 2HD2 LEU 84 -3.471 -8.418 3.893
638 3HD2 LEU 84 3HD2 LEU 84 -3.129 -7.595 2.372
639 H TYR 85 H TYR 85 -0.483 -12.510 1.355
640 HA TYR 85 HA TYR 85 -1.616 -12.822 -1.295
641 1HB TYR 85 2HB TYR 85 -1.000 -14.790 0.914
642 2HB TYR 85 1HB TYR 85 -1.728 -15.261 -0.619
643 HD1 TYR 85 HD2 TYR 85 1.296 -13.658 0.857
644 HD2 TYR 85 HD1 TYR 85 -0.383 -15.627 -2.524
645 HE1 TYR 85 HE2 TYR 85 3.523 -13.781 -0.172
646 HE2 TYR 85 HE1 TYR 85 1.844 -15.758 -3.558
647 HH TYR 85 HH TYR 85 4.021 -14.530 -3.412
648 H ARG 86 H ARG 86 -3.138 -11.366 0.917
649 HA ARG 86 HA ARG 86 -5.701 -12.540 0.214
650 1HB ARG 86 2HB ARG 86 -6.558 -12.652 2.485
651 2HB ARG 86 1HB ARG 86 -5.131 -13.667 2.340
652 1HG ARG 86 2HG ARG 86 -3.783 -11.997 3.471
653 2HG ARG 86 1HG ARG 86 -5.165 -10.897 3.540
654 1HD ARG 86 2HD ARG 86 -4.866 -12.018 5.682
655 2HD ARG 86 1HD ARG 86 -6.380 -12.525 4.932
656 HE ARG 86 HE ARG 86 -3.992 -14.200 4.632
657 1HH1 ARG 86 1HH1 ARG 86 -7.175 -13.776 5.889
658 2HH1 ARG 86 2HH1 ARG 86 -7.329 -15.442 6.325
659 1HH2 ARG 86 1HH2 ARG 86 -4.184 -16.301 5.244
660 2HH2 ARG 86 2HH2 ARG 86 -5.649 -16.853 5.982
661 HA PRO 87 HA PRO 87 -7.179 -8.400 -0.240
662 1HB PRO 87 2HB PRO 87 -9.364 -9.086 1.695
663 2HB PRO 87 1HB PRO 87 -9.471 -8.343 0.091
664 1HG PRO 87 2HG PRO 87 -10.088 -10.905 0.417
665 2HG PRO 87 1HG PRO 87 -9.178 -10.376 -1.011
666 1HD PRO 87 2HD PRO 87 -8.210 -11.804 1.434
667 2HD PRO 87 1HD PRO 87 -7.689 -11.976 -0.256
668 H LEU 88 H LEU 88 -6.860 -6.418 0.673
669 HA LEU 88 HA LEU 88 -5.814 -6.360 3.393
670 1HB LEU 88 2HB LEU 88 -4.542 -5.295 1.580
671 2HB LEU 88 1HB LEU 88 -5.892 -4.227 1.251
672 HG LEU 88 HG LEU 88 -5.613 -3.198 3.489
673 1HD1 LEU 88 1HD1 LEU 88 -4.628 -5.104 4.657
674 2HD1 LEU 88 2HD1 LEU 88 -3.615 -3.669 4.810
675 3HD1 LEU 88 3HD1 LEU 88 -3.163 -4.953 3.687
676 1HD2 LEU 88 1HD2 LEU 88 -4.531 -2.180 1.557
677 2HD2 LEU 88 2HD2 LEU 88 -3.115 -3.206 1.787
678 3HD2 LEU 88 3HD2 LEU 88 -3.531 -1.993 2.998
679 H LEU 89 H LEU 89 -7.552 -6.392 4.788
680 HA LEU 89 HA LEU 89 -9.882 -4.796 4.477
681 1HB LEU 89 2HB LEU 89 -8.703 -6.008 6.984
682 2HB LEU 89 1HB LEU 89 -10.325 -5.353 6.843
683 HG LEU 89 HG LEU 89 -9.255 -7.769 5.370
684 1HD1 LEU 89 1HD1 LEU 89 -10.836 -9.033 6.755
685 2HD1 LEU 89 2HD1 LEU 89 -11.241 -7.558 7.634
686 3HD1 LEU 89 3HD1 LEU 89 -9.609 -8.222 7.729
687 1HD2 LEU 89 1HD2 LEU 89 -11.564 -8.081 4.602
688 2HD2 LEU 89 2HD2 LEU 89 -10.885 -6.565 4.013
689 3HD2 LEU 89 3HD2 LEU 89 -12.023 -6.555 5.360
690 H VAL 90 H VAL 90 -10.305 -2.725 5.072
691 HA VAL 90 HA VAL 90 -8.207 -0.908 5.519
692 HB VAL 90 HB VAL 90 -11.178 -0.544 5.994
693 1HG1 VAL 90 1HG1 VAL 90 -10.738 1.870 5.826
694 2HG1 VAL 90 2HG1 VAL 90 -9.006 1.546 5.748
695 3HG1 VAL 90 3HG1 VAL 90 -9.910 1.155 7.210
696 1HG2 VAL 90 1HG2 VAL 90 -9.453 0.185 3.618
697 2HG2 VAL 90 2HG2 VAL 90 -11.181 0.501 3.784
698 3HG2 VAL 90 3HG2 VAL 90 -10.594 -1.159 3.689
699 H SER 91 H SER 91 -10.464 -2.430 7.789
700 HA SER 91 HA SER 91 -9.622 -0.989 10.090
701 1HB SER 91 2HB SER 91 -10.958 -3.700 9.879
702 2HB SER 91 1HB SER 91 -10.777 -2.776 11.371
703 HG SER 91 HG SER 91 -12.644 -2.537 9.450
704 H GLU 92 H GLU 92 -7.979 -3.307 8.294
705 HA GLU 92 HA GLU 92 -6.455 -4.414 10.520
706 1HB GLU 92 2HB GLU 92 -7.115 -5.740 8.465
707 2HB GLU 92 1HB GLU 92 -5.970 -4.769 7.553
708 1HG GLU 92 2HG GLU 92 -4.873 -6.788 8.064
709 2HG GLU 92 1HG GLU 92 -4.186 -5.572 9.142
710 H VAL 93 H VAL 93 -6.196 -1.899 8.134
711 HA VAL 93 HA VAL 93 -3.373 -1.574 8.086
712 HB VAL 93 HB VAL 93 -5.478 0.539 7.534
713 1HG1 VAL 93 1HG1 VAL 93 -2.621 0.284 6.574
714 2HG1 VAL 93 2HG1 VAL 93 -3.232 1.463 7.736
715 3HG1 VAL 93 3HG1 VAL 93 -3.769 1.520 6.057
716 1HG2 VAL 93 1HG2 VAL 93 -5.951 -1.457 6.223
717 2HG2 VAL 93 2HG2 VAL 93 -4.283 -1.502 5.649
718 3HG2 VAL 93 3HG2 VAL 93 -5.343 -0.171 5.181
719 H THR 94 H THR 94 -2.016 -0.180 9.243
720 HA THR 94 HA THR 94 -2.850 0.530 11.895
721 HB THR 94 HB THR 94 -0.271 1.183 10.442
722 HG1 THR 94 HG1 THR 94 -0.202 -0.640 12.507
723 1HG2 THR 94 1HG2 THR 94 0.665 1.618 12.673
724 2HG2 THR 94 2HG2 THR 94 -0.930 1.382 13.390
725 3HG2 THR 94 3HG2 THR 94 -0.646 2.737 12.297
726 H ARG 95 H ARG 95 -1.439 2.603 9.319
727 HA ARG 95 HA ARG 95 -3.432 4.670 9.878
728 1HB ARG 95 2HB ARG 95 -0.463 5.125 10.236
729 2HB ARG 95 1HB ARG 95 -1.625 6.431 10.054
730 1HG ARG 95 2HG ARG 95 -2.794 5.586 12.091
731 2HG ARG 95 1HG ARG 95 -1.481 4.425 12.298
732 1HD ARG 95 2HD ARG 95 -1.160 6.422 13.692
733 2HD ARG 95 1HD ARG 95 0.127 6.242 12.501
734 HE ARG 95 HE ARG 95 -0.945 7.999 11.205
735 1HH1 ARG 95 1HH1 ARG 95 -1.967 7.671 14.479
736 2HH1 ARG 95 2HH1 ARG 95 -2.527 9.301 14.582
737 1HH2 ARG 95 1HH2 ARG 95 -1.665 10.078 11.342
738 2HH2 ARG 95 2HH2 ARG 95 -2.351 10.662 12.819
739 H GLU 96 H GLU 96 -3.468 6.393 8.295
740 HA GLU 96 HA GLU 96 -2.206 5.673 5.723
741 1HB GLU 96 2HB GLU 96 -3.997 6.895 4.623
742 2HB GLU 96 1HB GLU 96 -4.687 5.704 5.718
743 1HG GLU 96 2HG GLU 96 -5.106 7.457 7.373
744 2HG GLU 96 1HG GLU 96 -4.401 8.654 6.288
745 H ALA 97 H ALA 97 -1.516 7.502 4.346
746 HA ALA 97 HA ALA 97 -1.246 10.115 5.592
747 1HB ALA 97 1HB ALA 97 0.730 8.911 6.424
748 2HB ALA 97 2HB ALA 97 1.175 10.238 5.350
749 3HB ALA 97 3HB ALA 97 1.220 8.574 4.764
750 H ASP 98 H ASP 98 -2.174 11.291 3.987
751 HA ASP 98 HA ASP 98 -2.024 10.764 1.234
752 1HB ASP 98 2HB ASP 98 -2.480 13.405 2.648
753 2HB ASP 98 1HB ASP 98 -2.804 13.104 0.942
754 H LEU 99 H LEU 99 -0.396 10.964 -0.174
755 HA LEU 99 HA LEU 99 2.036 12.392 0.703
756 1HB LEU 99 2HB LEU 99 2.036 9.857 0.539
757 2HB LEU 99 1HB LEU 99 1.871 10.043 -1.192
758 HG LEU 99 HG LEU 99 4.198 9.547 -0.362
759 1HD1 LEU 99 1HD1 LEU 99 3.883 12.128 -1.882
760 2HD1 LEU 99 2HD1 LEU 99 3.814 10.506 -2.573
761 3HD1 LEU 99 3HD1 LEU 99 5.313 11.096 -1.856
762 1HD2 LEU 99 1HD2 LEU 99 4.085 12.390 0.643
763 2HD2 LEU 99 2HD2 LEU 99 5.504 11.341 0.621
764 3HD2 LEU 99 3HD2 LEU 99 4.128 10.945 1.653
765 H ASP 100 H ASP 100 2.926 13.919 -0.599
766 HA ASP 100 HA ASP 100 1.787 14.284 -3.299
767 1HB ASP 100 2HB ASP 100 1.045 15.908 -1.397
768 2HB ASP 100 1HB ASP 100 2.645 16.617 -1.595
769 H LEU 101 H LEU 101 3.295 16.208 -4.383
770 HA LEU 101 HA LEU 101 5.858 14.816 -4.693
771 1HB LEU 101 2HB LEU 101 4.675 16.984 -6.430
772 2HB LEU 101 1HB LEU 101 6.016 15.926 -6.827
773 HG LEU 101 HG LEU 101 3.140 15.050 -6.475
774 1HD1 LEU 101 1HD1 LEU 101 3.491 16.406 -8.484
775 2HD1 LEU 101 2HD1 LEU 101 3.146 14.724 -8.884
776 3HD1 LEU 101 3HD1 LEU 101 4.800 15.332 -8.980
777 1HD2 LEU 101 1HD2 LEU 101 3.898 12.896 -7.344
778 2HD2 LEU 101 2HD2 LEU 101 4.729 13.298 -5.841
779 3HD2 LEU 101 3HD2 LEU 101 5.560 13.485 -7.387
780 H ASP 102 H ASP 102 7.827 16.110 -5.158
781 HA ASP 102 HA ASP 102 7.947 18.580 -3.548
782 1HB ASP 102 2HB ASP 102 10.265 18.157 -3.235
783 2HB ASP 102 1HB ASP 102 9.472 16.601 -3.029
784 H ALA 103 H ALA 103 10.325 19.613 -4.614
785 HA ALA 103 HA ALA 103 9.430 21.219 -6.721
786 1HB ALA 103 1HB ALA 103 11.207 21.886 -5.197
787 2HB ALA 103 2HB ALA 103 11.741 22.004 -6.874
788 3HB ALA 103 3HB ALA 103 12.269 20.651 -5.873
789 H ASP 104 H ASP 104 11.094 18.120 -6.833
790 HA ASP 104 HA ASP 104 11.677 18.374 -9.686
791 1HB ASP 104 2HB ASP 104 12.287 16.230 -7.643
792 2HB ASP 104 1HB ASP 104 12.614 16.022 -9.361
793 H GLY 105 H GLY 105 9.015 17.586 -7.898
794 1HA GLY 105 2HA GLY 105 6.974 16.749 -8.627
795 2HA GLY 105 1HA GLY 105 7.742 16.290 -10.135
796 H VAL 106 H VAL 106 9.270 15.247 -7.262
797 HA VAL 106 HA VAL 106 8.475 12.469 -7.790
798 HB VAL 106 HB VAL 106 10.773 13.633 -6.193
799 1HG1 VAL 106 1HG1 VAL 106 10.093 11.573 -5.132
800 2HG1 VAL 106 2HG1 VAL 106 11.600 11.303 -6.011
801 3HG1 VAL 106 3HG1 VAL 106 10.071 10.741 -6.686
802 1HG2 VAL 106 1HG2 VAL 106 11.062 13.854 -8.602
803 2HG2 VAL 106 2HG2 VAL 106 10.738 12.133 -8.816
804 3HG2 VAL 106 3HG2 VAL 106 12.185 12.657 -7.955
805 HA PRO 107 HA PRO 107 5.920 12.262 -4.039
806 1HB PRO 107 2HB PRO 107 7.052 9.485 -4.028
807 2HB PRO 107 1HB PRO 107 5.376 10.016 -3.832
808 1HG PRO 107 2HG PRO 107 6.180 8.969 -6.136
809 2HG PRO 107 1HG PRO 107 5.080 10.362 -6.117
810 1HD PRO 107 2HD PRO 107 8.011 10.267 -6.715
811 2HD PRO 107 1HD PRO 107 6.740 11.273 -7.443
812 H GLN 108 H GLN 108 6.953 13.465 -2.485
813 HA GLN 108 HA GLN 108 9.726 12.955 -1.910
814 1HB GLN 108 2HB GLN 108 8.784 15.248 -2.166
815 2HB GLN 108 1HB GLN 108 7.909 15.021 -0.657
816 1HG GLN 108 2HG GLN 108 9.973 16.315 -0.356
817 2HG GLN 108 1HG GLN 108 9.988 14.812 0.566
818 1HE2 GLN 108 1HE2 GLN 108 10.556 15.018 -2.897
819 2HE2 GLN 108 2HE2 GLN 108 12.220 14.565 -2.830
820 H LEU 109 H LEU 109 9.485 10.828 -0.935
821 HA LEU 109 HA LEU 109 8.526 10.761 1.801
822 1HB LEU 109 2HB LEU 109 9.999 8.754 0.103
823 2HB LEU 109 1HB LEU 109 9.708 8.489 1.810
824 HG LEU 109 HG LEU 109 7.255 8.661 1.379
825 1HD1 LEU 109 1HD1 LEU 109 7.312 10.000 -0.644
826 2HD1 LEU 109 2HD1 LEU 109 6.440 8.492 -0.917
827 3HD1 LEU 109 3HD1 LEU 109 8.089 8.679 -1.520
828 1HD2 LEU 109 1HD2 LEU 109 8.726 6.535 -0.188
829 2HD2 LEU 109 2HD2 LEU 109 7.043 6.450 0.334
830 3HD2 LEU 109 3HD2 LEU 109 8.335 6.485 1.533
831 H GLY 110 H GLY 110 11.379 11.756 0.225
832 1HA GLY 110 2HA GLY 110 13.386 11.221 2.092
833 2HA GLY 110 1HA GLY 110 13.343 12.628 1.042
834 H ASP 111 H ASP 111 11.110 13.959 2.015
835 HA ASP 111 HA ASP 111 12.008 14.929 4.581
836 1HB ASP 111 2HB ASP 111 9.829 15.757 2.678
837 2HB ASP 111 1HB ASP 111 9.914 16.430 4.305
838 H HIS 112 H HIS 112 9.478 12.808 3.423
839 HA HIS 112 HA HIS 112 7.864 12.950 5.790
840 1HB HIS 112 2HB HIS 112 6.928 12.397 3.581
841 2HB HIS 112 1HB HIS 112 7.890 10.924 3.538
842 HD1 HIS 112 HD1 HIS 112 4.982 12.470 5.378
843 HD2 HIS 112 HD2 HIS 112 6.798 8.783 4.834
844 HE1 HIS 112 HE1 HIS 112 3.412 10.800 6.400
845 HE2 HIS 112 HE2 HIS 112 4.629 8.606 6.244
846 H LEU 113 H LEU 113 10.678 11.178 4.889
847 HA LEU 113 HA LEU 113 10.341 9.348 7.185
848 1HB LEU 113 2HB LEU 113 12.108 8.987 4.755
849 2HB LEU 113 1HB LEU 113 11.901 7.835 6.061
850 HG LEU 113 HG LEU 113 9.786 8.664 4.060
851 1HD1 LEU 113 1HD1 LEU 113 11.287 6.066 4.396
852 2HD1 LEU 113 2HD1 LEU 113 11.489 7.231 3.087
853 3HD1 LEU 113 3HD1 LEU 113 9.969 6.356 3.258
854 1HD2 LEU 113 1HD2 LEU 113 8.751 8.197 6.204
855 2HD2 LEU 113 2HD2 LEU 113 9.630 6.672 6.327
856 3HD2 LEU 113 3HD2 LEU 113 8.412 6.890 5.069
857 H ALA 114 H ALA 114 12.911 8.504 7.562
858 HA ALA 114 HA ALA 114 13.990 10.786 8.980
859 1HB ALA 114 1HB ALA 114 15.445 9.153 10.065
860 2HB ALA 114 2HB ALA 114 14.891 7.905 8.948
861 3HB ALA 114 3HB ALA 114 13.762 8.626 10.095
862 H LEU 115 H LEU 115 14.353 10.354 5.899
863 HA LEU 115 HA LEU 115 17.111 9.929 5.439
864 1HB LEU 115 2HB LEU 115 14.948 11.221 3.799
865 2HB LEU 115 1HB LEU 115 16.612 11.222 3.248
866 HG LEU 115 HG LEU 115 16.604 8.727 3.341
867 1HD1 LEU 115 1HD1 LEU 115 14.465 7.546 3.484
868 2HD1 LEU 115 2HD1 LEU 115 13.653 9.061 3.876
869 3HD1 LEU 115 3HD1 LEU 115 14.847 8.387 4.986
870 1HD2 LEU 115 1HD2 LEU 115 15.232 8.417 1.325
871 2HD2 LEU 115 2HD2 LEU 115 16.226 9.870 1.238
872 3HD2 LEU 115 3HD2 LEU 115 14.502 10.001 1.586
873 H GLU 116 H GLU 116 15.415 12.719 6.583
874 HA GLU 116 HA GLU 116 17.314 14.718 5.955
875 1HB GLU 116 2HB GLU 116 15.125 15.361 6.738
876 2HB GLU 116 1HB GLU 116 15.344 14.484 8.245
877 1HG GLU 116 2HG GLU 116 17.064 16.050 8.941
878 2HG GLU 116 1HG GLU 116 16.943 16.899 7.403
Start of MODEL 2
1 1H MET 1 1H MET 1 5.887 -2.835 13.786
2 2H MET 1 2H MET 1 7.182 -2.417 14.783
3 3H MET 1 3H MET 1 6.027 -3.531 15.318
4 HA MET 1 HA MET 1 8.093 -4.604 14.653
5 1HB MET 1 2HB MET 1 5.946 -5.806 14.495
6 2HB MET 1 1HB MET 1 5.728 -5.209 12.857
7 1HG MET 1 2HG MET 1 7.791 -6.426 12.195
8 2HG MET 1 1HG MET 1 7.859 -7.107 13.822
9 1HE MET 1 1HE MET 1 7.918 -9.544 12.733
10 2HE MET 1 2HE MET 1 7.795 -8.862 11.111
11 3HE MET 1 3HE MET 1 6.696 -10.147 11.615
12 H THR 2 H THR 2 6.608 -4.419 11.463
13 HA THR 2 HA THR 2 8.899 -2.938 10.375
14 HB THR 2 HB THR 2 9.219 -4.615 8.568
15 HG1 THR 2 HG1 THR 2 7.989 -6.345 8.443
16 1HG2 THR 2 1HG2 THR 2 10.716 -4.687 10.504
17 2HG2 THR 2 2HG2 THR 2 10.412 -6.310 9.885
18 3HG2 THR 2 3HG2 THR 2 9.593 -5.758 11.346
19 H LEU 3 H LEU 3 8.188 -1.463 8.945
20 HA LEU 3 HA LEU 3 5.399 -1.486 8.165
21 1HB LEU 3 2HB LEU 3 7.620 0.527 7.873
22 2HB LEU 3 1HB LEU 3 6.068 0.755 7.092
23 HG LEU 3 HG LEU 3 6.202 2.024 9.175
24 1HD1 LEU 3 1HD1 LEU 3 4.268 -0.286 9.326
25 2HD1 LEU 3 2HD1 LEU 3 4.021 1.237 8.471
26 3HD1 LEU 3 3HD1 LEU 3 4.137 1.222 10.230
27 1HD2 LEU 3 1HD2 LEU 3 7.771 0.598 10.402
28 2HD2 LEU 3 2HD2 LEU 3 6.528 -0.645 10.554
29 3HD2 LEU 3 3HD2 LEU 3 6.316 0.916 11.347
30 H ILE 4 H ILE 4 4.676 -2.350 6.347
31 HA ILE 4 HA ILE 4 6.368 -2.343 3.931
32 HB ILE 4 HB ILE 4 4.769 -4.008 3.009
33 1HG1 ILE 4 2HG1 ILE 4 3.575 -3.885 5.797
34 2HG1 ILE 4 1HG1 ILE 4 2.773 -3.468 4.287
35 1HG2 ILE 4 1HG2 ILE 4 6.839 -4.759 4.058
36 2HG2 ILE 4 2HG2 ILE 4 5.540 -5.912 4.364
37 3HG2 ILE 4 3HG2 ILE 4 6.045 -4.798 5.634
38 1HD1 ILE 4 1HD1 ILE 4 2.956 -5.829 3.592
39 2HD1 ILE 4 2HD1 ILE 4 1.996 -5.597 5.051
40 3HD1 ILE 4 3HD1 ILE 4 3.646 -6.208 5.171
41 H TYR 5 H TYR 5 5.473 -1.493 1.957
42 HA TYR 5 HA TYR 5 3.415 0.552 2.541
43 1HB TYR 5 2HB TYR 5 5.850 0.932 0.793
44 2HB TYR 5 1HB TYR 5 4.704 2.164 1.305
45 HD1 TYR 5 HD1 TYR 5 4.706 2.959 3.659
46 HD2 TYR 5 HD2 TYR 5 7.616 0.197 2.238
47 HE1 TYR 5 HE1 TYR 5 6.113 3.441 5.616
48 HE2 TYR 5 HE2 TYR 5 9.028 0.671 4.192
49 HH TYR 5 HH TYR 5 7.910 2.334 6.916
50 H LYS 6 H LYS 6 1.930 1.081 1.054
51 HA LYS 6 HA LYS 6 2.300 0.431 -1.764
52 1HB LYS 6 2HB LYS 6 1.116 -1.545 -0.996
53 2HB LYS 6 1HB LYS 6 -0.083 -0.559 -0.171
54 1HG LYS 6 2HG LYS 6 -0.996 0.208 -2.240
55 2HG LYS 6 1HG LYS 6 0.333 -0.501 -3.157
56 1HD LYS 6 2HD LYS 6 -0.412 -2.732 -2.612
57 2HD LYS 6 1HD LYS 6 -1.647 -2.100 -1.523
58 1HE LYS 6 2HE LYS 6 -2.975 -1.320 -3.284
59 2HE LYS 6 1HE LYS 6 -1.641 -1.331 -4.427
60 1HZ LYS 6 1HZ LYS 6 -1.673 -3.758 -4.374
61 2HZ LYS 6 2HZ LYS 6 -3.161 -3.135 -4.876
62 3HZ LYS 6 3HZ LYS 6 -2.982 -3.726 -3.304
63 H ILE 7 H ILE 7 1.839 2.252 -2.876
64 HA ILE 7 HA ILE 7 0.292 4.366 -1.574
65 HB ILE 7 HB ILE 7 1.910 4.450 -4.133
66 1HG1 ILE 7 2HG1 ILE 7 2.565 5.447 -1.342
67 2HG1 ILE 7 1HG1 ILE 7 3.304 4.062 -2.140
68 1HG2 ILE 7 1HG2 ILE 7 1.721 6.901 -3.926
69 2HG2 ILE 7 2HG2 ILE 7 0.638 6.691 -2.550
70 3HG2 ILE 7 3HG2 ILE 7 0.149 6.132 -4.150
71 1HD1 ILE 7 1HD1 ILE 7 4.782 5.960 -2.219
72 2HD1 ILE 7 2HD1 ILE 7 3.532 6.946 -2.976
73 3HD1 ILE 7 3HD1 ILE 7 4.223 5.577 -3.847
74 H LEU 8 H LEU 8 -1.717 4.936 -2.138
75 HA LEU 8 HA LEU 8 -2.860 3.894 -4.662
76 1HB LEU 8 2HB LEU 8 -4.114 4.247 -1.941
77 2HB LEU 8 1HB LEU 8 -5.089 4.135 -3.393
78 HG LEU 8 HG LEU 8 -5.063 1.986 -2.376
79 1HD1 LEU 8 1HD1 LEU 8 -3.162 1.997 -4.714
80 2HD1 LEU 8 2HD1 LEU 8 -4.925 2.028 -4.802
81 3HD1 LEU 8 3HD1 LEU 8 -4.099 0.616 -4.140
82 1HD2 LEU 8 1HD2 LEU 8 -3.032 0.749 -1.872
83 2HD2 LEU 8 2HD2 LEU 8 -3.061 2.273 -0.984
84 3HD2 LEU 8 3HD2 LEU 8 -2.046 2.107 -2.416
85 H SER 9 H SER 9 -4.493 5.217 -5.702
86 HA SER 9 HA SER 9 -4.323 8.076 -5.176
87 1HB SER 9 2HB SER 9 -5.817 8.365 -7.056
88 2HB SER 9 1HB SER 9 -4.631 7.144 -7.513
89 HG SER 9 HG SER 9 -6.158 5.551 -7.170
90 H ARG 10 H ARG 10 -5.984 9.335 -4.248
91 HA ARG 10 HA ARG 10 -7.285 8.207 -2.085
92 1HB ARG 10 2HB ARG 10 -6.853 10.634 -2.356
93 2HB ARG 10 1HB ARG 10 -8.159 10.714 -3.531
94 1HG ARG 10 2HG ARG 10 -8.949 11.496 -1.391
95 2HG ARG 10 1HG ARG 10 -9.746 9.974 -1.791
96 1HD ARG 10 2HD ARG 10 -8.071 8.799 -0.350
97 2HD ARG 10 1HD ARG 10 -7.451 10.379 0.131
98 HE ARG 10 HE ARG 10 -10.286 9.818 0.563
99 1HH1 ARG 10 1HH1 ARG 10 -7.134 10.263 1.901
100 2HH1 ARG 10 2HH1 ARG 10 -7.741 10.432 3.510
101 1HH2 ARG 10 1HH2 ARG 10 -11.034 10.026 2.629
102 2HH2 ARG 10 2HH2 ARG 10 -9.915 10.311 3.924
103 H ALA 11 H ALA 11 -8.575 8.709 -5.349
104 HA ALA 11 HA ALA 11 -11.262 8.173 -4.950
105 1HB ALA 11 1HB ALA 11 -9.585 7.337 -7.317
106 2HB ALA 11 2HB ALA 11 -10.316 8.924 -7.078
107 3HB ALA 11 3HB ALA 11 -11.341 7.507 -7.294
108 H GLU 12 H GLU 12 -8.630 5.814 -5.398
109 HA GLU 12 HA GLU 12 -10.349 3.517 -5.399
110 1HB GLU 12 2HB GLU 12 -7.361 3.735 -4.952
111 2HB GLU 12 1HB GLU 12 -8.234 2.234 -5.232
112 1HG GLU 12 2HG GLU 12 -8.820 2.944 -7.467
113 2HG GLU 12 1HG GLU 12 -8.087 4.524 -7.191
114 H TRP 13 H TRP 13 -8.047 4.824 -3.013
115 HA TRP 13 HA TRP 13 -8.558 2.814 -1.079
116 1HB TRP 13 2HB TRP 13 -6.433 3.829 -1.030
117 2HB TRP 13 1HB TRP 13 -7.105 5.451 -0.998
118 HD1 TRP 13 HD1 TRP 13 -6.958 6.557 1.311
119 HE1 TRP 13 HE1 TRP 13 -6.806 5.741 3.749
120 HE3 TRP 13 HE3 TRP 13 -7.353 1.519 0.507
121 HZ2 TRP 13 HZ2 TRP 13 -6.871 3.293 5.144
122 HZ3 TRP 13 HZ3 TRP 13 -7.309 0.006 2.451
123 HH2 TRP 13 HH2 TRP 13 -7.072 0.877 4.724
124 H ASP 14 H ASP 14 -9.971 6.026 -1.555
125 HA ASP 14 HA ASP 14 -11.290 6.224 0.948
126 1HB ASP 14 2HB ASP 14 -10.972 8.008 -0.924
127 2HB ASP 14 1HB ASP 14 -12.442 7.335 -1.608
128 H ALA 15 H ALA 15 -12.294 4.942 -2.191
129 HA ALA 15 HA ALA 15 -14.872 4.059 -1.498
130 1HB ALA 15 1HB ALA 15 -14.073 4.283 -3.798
131 2HB ALA 15 2HB ALA 15 -14.701 2.661 -3.497
132 3HB ALA 15 3HB ALA 15 -12.959 2.939 -3.550
133 H ALA 16 H ALA 16 -11.698 2.517 -1.222
134 HA ALA 16 HA ALA 16 -12.445 -0.033 -0.368
135 1HB ALA 16 1HB ALA 16 -10.075 1.589 0.578
136 2HB ALA 16 2HB ALA 16 -10.132 0.607 -0.885
137 3HB ALA 16 3HB ALA 16 -10.254 -0.162 0.697
138 H LYS 17 H LYS 17 -11.938 2.917 1.578
139 HA LYS 17 HA LYS 17 -12.582 1.870 4.098
140 1HB LYS 17 2HB LYS 17 -13.073 4.649 3.000
141 2HB LYS 17 1HB LYS 17 -13.218 4.215 4.697
142 1HG LYS 17 2HG LYS 17 -10.847 3.676 4.786
143 2HG LYS 17 1HG LYS 17 -10.685 4.036 3.064
144 1HD LYS 17 2HD LYS 17 -11.321 6.358 3.471
145 2HD LYS 17 1HD LYS 17 -11.556 6.012 5.185
146 1HE LYS 17 2HE LYS 17 -8.929 5.726 3.718
147 2HE LYS 17 1HE LYS 17 -9.392 7.131 4.676
148 1HZ LYS 17 1HZ LYS 17 -9.535 5.712 6.623
149 2HZ LYS 17 2HZ LYS 17 -7.996 5.619 5.935
150 3HZ LYS 17 3HZ LYS 17 -9.101 4.361 5.707
151 H ALA 18 H ALA 18 -14.683 3.126 1.532
152 HA ALA 18 HA ALA 18 -17.126 3.016 2.950
153 1HB ALA 18 1HB ALA 18 -18.199 3.146 0.769
154 2HB ALA 18 2HB ALA 18 -16.680 2.725 -0.023
155 3HB ALA 18 3HB ALA 18 -16.829 4.254 0.844
156 H GLN 19 H GLN 19 -15.286 0.566 1.259
157 HA GLN 19 HA GLN 19 -17.393 -1.438 1.457
158 1HB GLN 19 2HB GLN 19 -14.517 -1.691 0.546
159 2HB GLN 19 1HB GLN 19 -15.753 -2.934 0.397
160 1HG GLN 19 2HG GLN 19 -17.021 -1.502 -1.111
161 2HG GLN 19 1HG GLN 19 -15.802 -0.238 -0.950
162 1HE2 GLN 19 1HE2 GLN 19 -15.321 -0.268 -3.162
163 2HE2 GLN 19 2HE2 GLN 19 -14.454 -1.570 -3.893
164 H GLY 20 H GLY 20 -14.605 -0.420 3.252
165 1HA GLY 20 2HA GLY 20 -13.844 -1.181 5.334
166 2HA GLY 20 1HA GLY 20 -14.906 -2.576 5.196
167 H ARG 21 H ARG 21 -13.454 -2.448 2.299
168 HA ARG 21 HA ARG 21 -10.971 -3.815 3.033
169 1HB ARG 21 2HB ARG 21 -12.748 -5.544 2.921
170 2HB ARG 21 1HB ARG 21 -13.102 -5.050 1.271
171 1HG ARG 21 2HG ARG 21 -10.731 -5.652 0.685
172 2HG ARG 21 1HG ARG 21 -10.589 -6.352 2.300
173 1HD ARG 21 2HD ARG 21 -11.178 -8.187 1.009
174 2HD ARG 21 1HD ARG 21 -12.731 -7.659 1.657
175 HE ARG 21 HE ARG 21 -11.998 -6.620 -0.962
176 1HH1 ARG 21 1HH1 ARG 21 -13.818 -8.915 0.848
177 2HH1 ARG 21 2HH1 ARG 21 -14.809 -9.347 -0.499
178 1HH2 ARG 21 1HH2 ARG 21 -13.267 -7.178 -2.668
179 2HH2 ARG 21 2HH2 ARG 21 -14.506 -8.371 -2.471
180 H PHE 22 H PHE 22 -9.357 -3.523 1.520
181 HA PHE 22 HA PHE 22 -10.091 -2.252 -1.028
182 1HB PHE 22 2HB PHE 22 -8.363 -1.088 0.337
183 2HB PHE 22 1HB PHE 22 -7.332 -2.512 0.209
184 HD1 PHE 22 HD2 PHE 22 -9.376 -0.454 -2.151
185 HD2 PHE 22 HD1 PHE 22 -5.591 -2.256 -1.339
186 HE1 PHE 22 HE2 PHE 22 -8.518 0.381 -4.297
187 HE2 PHE 22 HE1 PHE 22 -4.743 -1.423 -3.486
188 HZ PHE 22 HZ PHE 22 -6.205 -0.105 -4.967
189 H GLU 23 H GLU 23 -9.634 -3.188 -2.956
190 HA GLU 23 HA GLU 23 -9.126 -6.001 -3.089
191 1HB GLU 23 2HB GLU 23 -9.096 -3.974 -5.341
192 2HB GLU 23 1HB GLU 23 -9.313 -5.711 -5.493
193 1HG GLU 23 2HG GLU 23 -11.228 -3.828 -4.125
194 2HG GLU 23 1HG GLU 23 -11.407 -4.461 -5.759
195 H GLY 24 H GLY 24 -7.451 -6.356 -5.251
196 1HA GLY 24 2HA GLY 24 -4.827 -5.636 -4.215
197 2HA GLY 24 1HA GLY 24 -5.157 -6.657 -5.610
198 H SER 25 H SER 25 -5.701 -5.676 -7.589
199 HA SER 25 HA SER 25 -6.013 -3.106 -8.379
200 1HB SER 25 2HB SER 25 -3.909 -2.422 -7.346
201 2HB SER 25 1HB SER 25 -3.044 -3.725 -8.160
202 HG SER 25 HG SER 25 -3.659 -1.245 -9.058
203 H ALA 26 H ALA 26 -5.572 -2.809 -10.745
204 HA ALA 26 HA ALA 26 -6.023 -5.034 -12.337
205 1HB ALA 26 1HB ALA 26 -5.285 -3.666 -14.238
206 2HB ALA 26 2HB ALA 26 -4.559 -2.506 -13.124
207 3HB ALA 26 3HB ALA 26 -6.308 -2.739 -13.142
208 H VAL 27 H VAL 27 -2.962 -3.653 -11.263
209 HA VAL 27 HA VAL 27 -1.282 -5.411 -12.773
210 HB VAL 27 HB VAL 27 -0.610 -3.822 -10.278
211 1HG1 VAL 27 1HG1 VAL 27 1.718 -4.010 -11.033
212 2HG1 VAL 27 2HG1 VAL 27 1.202 -5.026 -12.381
213 3HG1 VAL 27 3HG1 VAL 27 1.014 -5.597 -10.723
214 1HG2 VAL 27 1HG2 VAL 27 -0.277 -3.077 -13.192
215 2HG2 VAL 27 2HG2 VAL 27 0.272 -2.125 -11.812
216 3HG2 VAL 27 3HG2 VAL 27 -1.453 -2.383 -12.075
217 H ASP 28 H ASP 28 -2.101 -5.307 -9.268
218 HA ASP 28 HA ASP 28 -0.758 -7.583 -8.451
219 1HB ASP 28 2HB ASP 28 -3.364 -6.430 -7.434
220 2HB ASP 28 1HB ASP 28 -2.501 -7.732 -6.621
221 H LEU 29 H LEU 29 -4.095 -7.405 -9.712
222 HA LEU 29 HA LEU 29 -4.501 -10.230 -9.524
223 1HB LEU 29 2HB LEU 29 -6.038 -8.010 -10.837
224 2HB LEU 29 1HB LEU 29 -6.481 -9.686 -11.099
225 HG LEU 29 HG LEU 29 -7.881 -8.793 -9.360
226 1HD1 LEU 29 1HD1 LEU 29 -7.151 -11.119 -9.099
227 2HD1 LEU 29 2HD1 LEU 29 -7.429 -10.342 -7.543
228 3HD1 LEU 29 3HD1 LEU 29 -5.781 -10.581 -8.125
229 1HD2 LEU 29 1HD2 LEU 29 -6.470 -6.937 -8.628
230 2HD2 LEU 29 2HD2 LEU 29 -5.352 -8.072 -7.872
231 3HD2 LEU 29 3HD2 LEU 29 -6.999 -7.914 -7.260
232 H ALA 30 H ALA 30 -3.193 -8.129 -12.018
233 HA ALA 30 HA ALA 30 -3.199 -10.013 -14.129
234 1HB ALA 30 1HB ALA 30 -2.712 -7.626 -14.460
235 2HB ALA 30 2HB ALA 30 -1.452 -8.657 -15.137
236 3HB ALA 30 3HB ALA 30 -1.184 -7.828 -13.603
237 H ASP 31 H ASP 31 -0.878 -9.404 -11.503
238 HA ASP 31 HA ASP 31 0.878 -11.559 -12.146
239 1HB ASP 31 2HB ASP 31 0.323 -10.144 -9.523
240 2HB ASP 31 1HB ASP 31 1.586 -11.350 -9.729
241 H GLY 32 H GLY 32 -2.014 -11.268 -10.150
242 1HA GLY 32 2HA GLY 32 -3.518 -13.215 -10.088
243 2HA GLY 32 1HA GLY 32 -2.094 -14.219 -9.859
244 H PHE 33 H PHE 33 -1.461 -11.553 -8.099
245 HA PHE 33 HA PHE 33 -3.050 -11.961 -5.762
246 1HB PHE 33 2HB PHE 33 -1.197 -12.819 -4.302
247 2HB PHE 33 1HB PHE 33 -1.752 -13.985 -5.498
248 HD1 PHE 33 HD1 PHE 33 1.015 -11.790 -4.490
249 HD2 PHE 33 HD2 PHE 33 -0.323 -14.677 -7.326
250 HE1 PHE 33 HE1 PHE 33 3.319 -12.051 -5.311
251 HE2 PHE 33 HE2 PHE 33 1.981 -14.943 -8.143
252 HZ PHE 33 HZ PHE 33 3.806 -13.627 -7.138
253 H ILE 34 H ILE 34 -2.234 -10.632 -3.896
254 HA ILE 34 HA ILE 34 -1.408 -8.067 -4.866
255 HB ILE 34 HB ILE 34 -1.776 -9.002 -2.005
256 1HG1 ILE 34 2HG1 ILE 34 -3.664 -7.542 -3.880
257 2HG1 ILE 34 1HG1 ILE 34 -3.833 -9.209 -3.339
258 1HG2 ILE 34 1HG2 ILE 34 -1.600 -6.198 -3.129
259 2HG2 ILE 34 2HG2 ILE 34 -0.374 -6.998 -2.145
260 3HG2 ILE 34 3HG2 ILE 34 -1.949 -6.617 -1.451
261 1HD1 ILE 34 1HD1 ILE 34 -5.342 -7.762 -2.135
262 2HD1 ILE 34 2HD1 ILE 34 -3.997 -6.748 -1.612
263 3HD1 ILE 34 3HD1 ILE 34 -4.123 -8.412 -1.039
264 H HIS 35 H HIS 35 0.581 -7.223 -4.968
265 HA HIS 35 HA HIS 35 2.738 -8.456 -3.375
266 1HB HIS 35 2HB HIS 35 4.260 -7.716 -5.317
267 2HB HIS 35 1HB HIS 35 3.253 -9.138 -5.555
268 HD1 HIS 35 HD1 HIS 35 3.228 -5.437 -6.414
269 HD2 HIS 35 HD2 HIS 35 1.682 -9.046 -7.769
270 HE1 HIS 35 HE1 HIS 35 2.117 -4.912 -8.604
271 HE2 HIS 35 HE2 HIS 35 1.376 -7.146 -9.495
272 H LEU 36 H LEU 36 3.176 -7.078 -1.800
273 HA LEU 36 HA LEU 36 2.891 -4.206 -2.158
274 1HB LEU 36 2HB LEU 36 3.728 -5.794 0.279
275 2HB LEU 36 1HB LEU 36 3.315 -4.089 0.252
276 HG LEU 36 HG LEU 36 1.393 -6.333 -0.399
277 1HD1 LEU 36 1HD1 LEU 36 0.346 -5.813 1.747
278 2HD1 LEU 36 2HD1 LEU 36 1.621 -4.645 2.094
279 3HD1 LEU 36 3HD1 LEU 36 2.009 -6.361 1.960
280 1HD2 LEU 36 1HD2 LEU 36 0.848 -4.269 -1.565
281 2HD2 LEU 36 2HD2 LEU 36 0.946 -3.368 -0.051
282 3HD2 LEU 36 3HD2 LEU 36 -0.318 -4.578 -0.277
283 H SER 37 H SER 37 4.731 -2.886 -0.925
284 HA SER 37 HA SER 37 7.340 -3.848 -1.927
285 1HB SER 37 2HB SER 37 7.857 -1.551 -2.701
286 2HB SER 37 1HB SER 37 6.466 -2.234 -3.541
287 HG SER 37 HG SER 37 5.365 -1.040 -1.576
288 H ALA 38 H ALA 38 9.208 -3.019 -0.890
289 HA ALA 38 HA ALA 38 8.755 -2.128 1.881
290 1HB ALA 38 1HB ALA 38 11.254 -3.238 0.589
291 2HB ALA 38 2HB ALA 38 10.115 -4.142 1.587
292 3HB ALA 38 3HB ALA 38 11.066 -2.836 2.295
293 H GLY 39 H GLY 39 11.086 -0.852 2.513
294 1HA GLY 39 2HA GLY 39 10.533 1.775 1.977
295 2HA GLY 39 1HA GLY 39 12.117 1.203 2.456
296 H GLU 40 H GLU 40 13.379 0.188 0.473
297 HA GLU 40 HA GLU 40 13.994 2.327 -1.242
298 1HB GLU 40 2HB GLU 40 14.642 -0.607 -1.624
299 2HB GLU 40 1HB GLU 40 15.426 0.731 -2.451
300 1HG GLU 40 2HG GLU 40 16.298 1.549 -0.319
301 2HG GLU 40 1HG GLU 40 15.506 0.216 0.521
302 H GLN 41 H GLN 41 12.383 -0.739 -2.027
303 HA GLN 41 HA GLN 41 11.934 -0.175 -4.744
304 1HB GLN 41 2HB GLN 41 10.076 -2.018 -4.423
305 2HB GLN 41 1HB GLN 41 11.779 -2.434 -4.362
306 1HG GLN 41 2HG GLN 41 10.298 -1.803 -1.842
307 2HG GLN 41 1HG GLN 41 10.119 -3.382 -2.602
308 1HE2 GLN 41 1HE2 GLN 41 11.876 -4.789 -2.629
309 2HE2 GLN 41 2HE2 GLN 41 13.262 -4.547 -1.631
310 H ALA 42 H ALA 42 9.945 0.505 -1.908
311 HA ALA 42 HA ALA 42 7.623 1.313 -3.364
312 1HB ALA 42 1HB ALA 42 6.856 2.282 -1.254
313 2HB ALA 42 2HB ALA 42 8.462 2.058 -0.559
314 3HB ALA 42 3HB ALA 42 7.493 0.655 -1.009
315 H GLN 43 H GLN 43 10.326 3.102 -1.886
316 HA GLN 43 HA GLN 43 9.431 5.687 -2.534
317 1HB GLN 43 2HB GLN 43 11.430 4.794 -1.017
318 2HB GLN 43 1HB GLN 43 12.370 5.102 -2.469
319 1HG GLN 43 2HG GLN 43 10.622 7.162 -1.131
320 2HG GLN 43 1HG GLN 43 12.339 6.965 -0.799
321 1HE2 GLN 43 1HE2 GLN 43 10.761 9.194 -1.962
322 2HE2 GLN 43 2HE2 GLN 43 11.541 9.563 -3.452
323 H GLU 44 H GLU 44 11.524 3.429 -4.338
324 HA GLU 44 HA GLU 44 12.033 5.103 -6.547
325 1HB GLU 44 2HB GLU 44 13.234 2.958 -6.125
326 2HB GLU 44 1HB GLU 44 11.774 2.081 -6.576
327 1HG GLU 44 2HG GLU 44 11.894 3.225 -8.813
328 2HG GLU 44 1HG GLU 44 13.473 3.842 -8.335
329 H THR 45 H THR 45 9.557 2.542 -6.177
330 HA THR 45 HA THR 45 8.156 2.909 -8.543
331 HB THR 45 HB THR 45 7.060 2.126 -5.828
332 HG1 THR 45 HG1 THR 45 8.278 0.452 -6.354
333 1HG2 THR 45 1HG2 THR 45 5.237 2.896 -7.295
334 2HG2 THR 45 2HG2 THR 45 5.154 1.156 -7.024
335 3HG2 THR 45 3HG2 THR 45 5.777 1.783 -8.550
336 H ALA 46 H ALA 46 7.834 4.674 -5.499
337 HA ALA 46 HA ALA 46 5.623 6.274 -6.136
338 1HB ALA 46 1HB ALA 46 6.411 7.754 -4.370
339 2HB ALA 46 2HB ALA 46 7.992 6.971 -4.399
340 3HB ALA 46 3HB ALA 46 6.568 6.068 -3.881
341 H ALA 47 H ALA 47 9.070 6.724 -6.825
342 HA ALA 47 HA ALA 47 8.676 9.307 -8.077
343 1HB ALA 47 1HB ALA 47 10.750 8.774 -6.863
344 2HB ALA 47 2HB ALA 47 11.062 9.229 -8.539
345 3HB ALA 47 3HB ALA 47 11.121 7.532 -8.060
346 H LYS 48 H LYS 48 8.734 5.987 -9.101
347 HA LYS 48 HA LYS 48 9.227 6.510 -11.885
348 1HB LYS 48 2HB LYS 48 8.323 4.064 -10.359
349 2HB LYS 48 1HB LYS 48 8.536 4.078 -12.096
350 1HG LYS 48 2HG LYS 48 10.718 4.700 -10.115
351 2HG LYS 48 1HG LYS 48 10.450 3.116 -10.843
352 1HD LYS 48 2HD LYS 48 10.752 4.178 -13.090
353 2HD LYS 48 1HD LYS 48 11.187 5.679 -12.268
354 1HE LYS 48 2HE LYS 48 13.190 4.474 -12.934
355 2HE LYS 48 1HE LYS 48 13.069 4.518 -11.176
356 1HZ LYS 48 1HZ LYS 48 12.241 2.216 -12.862
357 2HZ LYS 48 2HZ LYS 48 12.292 2.257 -11.171
358 3HZ LYS 48 3HZ LYS 48 13.727 2.333 -12.066
359 H TRP 49 H TRP 49 6.385 5.132 -10.192
360 HA TRP 49 HA TRP 49 4.765 5.598 -12.572
361 1HB TRP 49 2HB TRP 49 4.033 4.144 -10.022
362 2HB TRP 49 1HB TRP 49 3.146 4.107 -11.543
363 HD1 TRP 49 HD1 TRP 49 6.373 2.800 -9.929
364 HE1 TRP 49 HE1 TRP 49 7.233 0.800 -11.291
365 HE3 TRP 49 HE3 TRP 49 3.110 3.044 -13.860
366 HZ2 TRP 49 HZ2 TRP 49 6.619 -0.501 -13.717
367 HZ3 TRP 49 HZ3 TRP 49 3.318 1.381 -15.664
368 HH2 TRP 49 HH2 TRP 49 5.037 -0.354 -15.593
369 H PHE 50 H PHE 50 5.157 6.939 -9.389
370 HA PHE 50 HA PHE 50 2.553 8.306 -9.604
371 1HB PHE 50 2HB PHE 50 4.237 7.730 -7.162
372 2HB PHE 50 1HB PHE 50 2.735 8.652 -7.147
373 HD1 PHE 50 HD1 PHE 50 0.728 7.390 -8.411
374 HD2 PHE 50 HD2 PHE 50 4.079 5.490 -6.582
375 HE1 PHE 50 HE1 PHE 50 -0.566 5.309 -8.200
376 HE2 PHE 50 HE2 PHE 50 2.787 3.407 -6.368
377 HZ PHE 50 HZ PHE 50 0.462 3.314 -7.176
378 H ARG 51 H ARG 51 5.373 9.093 -10.663
379 HA ARG 51 HA ARG 51 5.910 11.616 -9.426
380 1HB ARG 51 2HB ARG 51 7.642 10.428 -10.686
381 2HB ARG 51 1HB ARG 51 6.691 10.564 -12.159
382 1HG ARG 51 2HG ARG 51 6.880 13.055 -11.958
383 2HG ARG 51 1HG ARG 51 7.993 12.804 -10.613
384 1HD ARG 51 2HD ARG 51 8.389 11.751 -13.414
385 2HD ARG 51 1HD ARG 51 9.135 13.212 -12.772
386 HE ARG 51 HE ARG 51 10.135 11.597 -11.057
387 1HH1 ARG 51 1HH1 ARG 51 9.430 10.736 -14.315
388 2HH1 ARG 51 2HH1 ARG 51 10.715 9.583 -14.403
389 1HH2 ARG 51 1HH2 ARG 51 11.791 10.130 -11.181
390 2HH2 ARG 51 2HH2 ARG 51 12.028 9.228 -12.639
391 H GLY 52 H GLY 52 4.592 13.335 -9.528
392 1HA GLY 52 2HA GLY 52 3.369 15.059 -10.486
393 2HA GLY 52 1HA GLY 52 3.608 14.312 -12.054
394 H GLN 53 H GLN 53 2.144 12.558 -9.389
395 HA GLN 53 HA GLN 53 -0.349 12.314 -10.883
396 1HB GLN 53 2HB GLN 53 0.596 11.041 -8.302
397 2HB GLN 53 1HB GLN 53 -0.959 10.708 -9.050
398 1HG GLN 53 2HG GLN 53 1.709 10.202 -10.354
399 2HG GLN 53 1HG GLN 53 0.761 8.991 -9.493
400 1HE2 GLN 53 1HE2 GLN 53 1.606 9.007 -12.260
401 2HE2 GLN 53 2HE2 GLN 53 0.162 8.916 -13.203
402 H ALA 54 H ALA 54 -2.207 11.993 -8.824
403 HA ALA 54 HA ALA 54 -2.172 14.470 -7.253
404 1HB ALA 54 1HB ALA 54 -4.465 15.021 -7.894
405 2HB ALA 54 2HB ALA 54 -4.494 13.650 -9.005
406 3HB ALA 54 3HB ALA 54 -3.402 15.003 -9.302
407 H ASN 55 H ASN 55 -3.019 14.267 -5.244
408 HA ASN 55 HA ASN 55 -3.787 13.298 -3.336
409 1HB ASN 55 2HB ASN 55 -5.794 12.091 -5.253
410 2HB ASN 55 1HB ASN 55 -5.966 12.118 -3.499
411 1HD2 ASN 55 1HD2 ASN 55 -4.897 14.748 -3.130
412 2HD2 ASN 55 2HD2 ASN 55 -6.059 15.860 -3.753
413 H LEU 56 H LEU 56 -1.869 12.046 -3.021
414 HA LEU 56 HA LEU 56 -2.081 9.185 -3.709
415 1HB LEU 56 2HB LEU 56 0.362 10.841 -3.046
416 2HB LEU 56 1HB LEU 56 0.379 9.118 -3.382
417 HG LEU 56 HG LEU 56 -0.430 11.278 -5.343
418 1HD1 LEU 56 1HD1 LEU 56 1.643 10.706 -6.501
419 2HD1 LEU 56 2HD1 LEU 56 2.058 9.571 -5.215
420 3HD1 LEU 56 3HD1 LEU 56 1.961 11.299 -4.871
421 1HD2 LEU 56 1HD2 LEU 56 -0.154 8.289 -5.704
422 2HD2 LEU 56 2HD2 LEU 56 -0.431 9.455 -6.998
423 3HD2 LEU 56 3HD2 LEU 56 -1.654 9.218 -5.750
424 H VAL 57 H VAL 57 -2.592 7.857 -2.093
425 HA VAL 57 HA VAL 57 -2.056 8.669 0.688
426 HB VAL 57 HB VAL 57 -3.890 6.446 -0.234
427 1HG1 VAL 57 1HG1 VAL 57 -4.844 6.648 2.027
428 2HG1 VAL 57 2HG1 VAL 57 -3.650 7.885 2.415
429 3HG1 VAL 57 3HG1 VAL 57 -3.130 6.236 2.071
430 1HG2 VAL 57 1HG2 VAL 57 -4.610 9.305 0.440
431 2HG2 VAL 57 2HG2 VAL 57 -5.761 7.999 0.155
432 3HG2 VAL 57 3HG2 VAL 57 -4.710 8.548 -1.150
433 H LEU 58 H LEU 58 -0.298 7.780 1.585
434 HA LEU 58 HA LEU 58 0.801 5.281 0.573
435 1HB LEU 58 2HB LEU 58 2.351 7.082 1.034
436 2HB LEU 58 1HB LEU 58 1.773 7.211 2.685
437 HG LEU 58 HG LEU 58 2.683 4.952 3.164
438 1HD1 LEU 58 1HD1 LEU 58 2.560 4.015 0.913
439 2HD1 LEU 58 2HD1 LEU 58 4.188 3.884 1.573
440 3HD1 LEU 58 3HD1 LEU 58 3.822 5.124 0.374
441 1HD2 LEU 58 1HD2 LEU 58 5.044 5.586 3.151
442 2HD2 LEU 58 2HD2 LEU 58 4.019 6.931 3.652
443 3HD2 LEU 58 3HD2 LEU 58 4.692 6.895 2.022
444 H LEU 59 H LEU 59 -0.108 3.442 1.307
445 HA LEU 59 HA LEU 59 -1.155 3.227 4.000
446 1HB LEU 59 2HB LEU 59 -0.823 1.121 1.851
447 2HB LEU 59 1HB LEU 59 -1.663 0.888 3.374
448 HG LEU 59 HG LEU 59 -2.493 2.712 1.109
449 1HD1 LEU 59 1HD1 LEU 59 -3.799 0.256 2.284
450 2HD1 LEU 59 2HD1 LEU 59 -2.969 0.349 0.731
451 3HD1 LEU 59 3HD1 LEU 59 -4.456 1.261 0.991
452 1HD2 LEU 59 1HD2 LEU 59 -3.796 2.333 3.809
453 2HD2 LEU 59 2HD2 LEU 59 -4.443 3.278 2.466
454 3HD2 LEU 59 3HD2 LEU 59 -2.954 3.783 3.261
455 H ALA 60 H ALA 60 0.052 2.774 5.714
456 HA ALA 60 HA ALA 60 2.582 1.288 5.343
457 1HB ALA 60 1HB ALA 60 1.933 3.352 7.453
458 2HB ALA 60 2HB ALA 60 2.917 3.626 6.015
459 3HB ALA 60 3HB ALA 60 3.470 2.504 7.258
460 H VAL 61 H VAL 61 1.887 -0.779 5.779
461 HA VAL 61 HA VAL 61 0.487 -1.270 8.336
462 HB VAL 61 HB VAL 61 0.847 -3.186 6.017
463 1HG1 VAL 61 1HG1 VAL 61 -0.933 -4.479 7.099
464 2HG1 VAL 61 2HG1 VAL 61 -0.978 -3.315 8.424
465 3HG1 VAL 61 3HG1 VAL 61 0.464 -4.295 8.159
466 1HG2 VAL 61 1HG2 VAL 61 -1.491 -2.709 5.440
467 2HG2 VAL 61 2HG2 VAL 61 -0.482 -1.269 5.301
468 3HG2 VAL 61 3HG2 VAL 61 -1.548 -1.468 6.692
469 H GLU 62 H GLU 62 1.441 -2.554 9.923
470 HA GLU 62 HA GLU 62 4.225 -3.295 9.479
471 1HB GLU 62 2HB GLU 62 2.576 -3.448 12.013
472 2HB GLU 62 1HB GLU 62 4.314 -3.716 11.892
473 1HG GLU 62 2HG GLU 62 4.394 -1.330 10.915
474 2HG GLU 62 1HG GLU 62 2.774 -1.160 11.584
475 H ALA 63 H ALA 63 4.939 -5.299 9.151
476 HA ALA 63 HA ALA 63 3.537 -7.177 7.880
477 1HB ALA 63 1HB ALA 63 5.979 -7.185 8.135
478 2HB ALA 63 2HB ALA 63 5.271 -8.788 8.344
479 3HB ALA 63 3HB ALA 63 5.792 -7.862 9.753
480 H GLU 64 H GLU 64 4.133 -7.483 11.404
481 HA GLU 64 HA GLU 64 2.880 -8.388 13.079
482 1HB GLU 64 2HB GLU 64 1.000 -7.202 11.856
483 2HB GLU 64 1HB GLU 64 0.660 -8.720 11.043
484 1HG GLU 64 2HG GLU 64 -0.887 -8.536 12.812
485 2HG GLU 64 1HG GLU 64 0.297 -9.740 13.315
486 HA PRO 65 HA PRO 65 3.609 -12.803 12.369
487 1HB PRO 65 2HB PRO 65 3.023 -13.685 14.869
488 2HB PRO 65 1HB PRO 65 4.527 -12.839 14.485
489 1HG PRO 65 2HG PRO 65 2.008 -11.760 15.708
490 2HG PRO 65 1HG PRO 65 3.692 -11.481 16.192
491 1HD PRO 65 2HD PRO 65 2.295 -9.692 14.712
492 2HD PRO 65 1HD PRO 65 4.045 -9.915 14.526
493 H LEU 66 H LEU 66 1.280 -12.003 11.214
494 HA LEU 66 HA LEU 66 -1.124 -13.016 12.267
495 1HB LEU 66 2HB LEU 66 -0.292 -12.570 9.393
496 2HB LEU 66 1HB LEU 66 -1.938 -12.872 9.915
497 HG LEU 66 HG LEU 66 -0.319 -10.495 10.845
498 1HD1 LEU 66 1HD1 LEU 66 -1.573 -9.165 9.224
499 2HD1 LEU 66 2HD1 LEU 66 -2.335 -10.628 8.599
500 3HD1 LEU 66 3HD1 LEU 66 -0.596 -10.391 8.416
501 1HD2 LEU 66 1HD2 LEU 66 -2.508 -9.602 11.487
502 2HD2 LEU 66 2HD2 LEU 66 -2.172 -11.122 12.313
503 3HD2 LEU 66 3HD2 LEU 66 -3.282 -11.091 10.942
504 H GLY 67 H GLY 67 1.519 -14.640 10.744
505 1HA GLY 67 2HA GLY 67 1.263 -17.166 11.255
506 2HA GLY 67 1HA GLY 67 -0.120 -17.027 10.178
507 H GLU 68 H GLU 68 0.222 -16.682 7.954
508 HA GLU 68 HA GLU 68 2.950 -16.511 6.935
509 1HB GLU 68 2HB GLU 68 2.448 -18.955 7.279
510 2HB GLU 68 1HB GLU 68 1.137 -18.799 6.117
511 1HG GLU 68 2HG GLU 68 2.676 -18.302 4.347
512 2HG GLU 68 1HG GLU 68 4.023 -18.199 5.482
513 H ASP 69 H ASP 69 0.455 -14.947 7.004
514 HA ASP 69 HA ASP 69 -0.844 -14.852 4.515
515 1HB ASP 69 2HB ASP 69 -0.387 -12.559 6.444
516 2HB ASP 69 1HB ASP 69 -1.673 -12.692 5.247
517 H LEU 70 H LEU 70 1.992 -13.126 5.741
518 HA LEU 70 HA LEU 70 2.361 -11.805 3.143
519 1HB LEU 70 2HB LEU 70 2.373 -10.531 5.353
520 2HB LEU 70 1HB LEU 70 3.914 -11.301 5.682
521 HG LEU 70 HG LEU 70 4.801 -10.263 3.567
522 1HD1 LEU 70 1HD1 LEU 70 2.726 -9.899 2.386
523 2HD1 LEU 70 2HD1 LEU 70 3.519 -8.347 2.648
524 3HD1 LEU 70 3HD1 LEU 70 2.149 -8.817 3.653
525 1HD2 LEU 70 1HD2 LEU 70 3.757 -8.369 5.678
526 2HD2 LEU 70 2HD2 LEU 70 5.056 -8.024 4.534
527 3HD2 LEU 70 3HD2 LEU 70 5.265 -9.282 5.752
528 H LYS 71 H LYS 71 3.469 -13.066 1.773
529 HA LYS 71 HA LYS 71 5.734 -14.675 2.752
530 1HB LYS 71 2HB LYS 71 3.790 -15.709 1.473
531 2HB LYS 71 1HB LYS 71 4.365 -14.842 0.057
532 1HG LYS 71 2HG LYS 71 6.464 -16.071 0.125
533 2HG LYS 71 1HG LYS 71 5.953 -16.896 1.603
534 1HD LYS 71 2HD LYS 71 3.999 -17.812 0.331
535 2HD LYS 71 1HD LYS 71 4.676 -17.101 -1.134
536 1HE LYS 71 2HE LYS 71 6.099 -19.129 0.595
537 2HE LYS 71 1HE LYS 71 5.173 -19.530 -0.848
538 1HZ LYS 71 1HZ LYS 71 7.533 -19.382 -1.307
539 2HZ LYS 71 2HZ LYS 71 7.568 -17.779 -0.771
540 3HZ LYS 71 3HZ LYS 71 6.686 -18.188 -2.157
541 H TRP 72 H TRP 72 7.624 -13.581 2.622
542 HA TRP 72 HA TRP 72 8.071 -11.444 0.760
543 1HB TRP 72 2HB TRP 72 9.932 -12.859 2.685
544 2HB TRP 72 1HB TRP 72 10.408 -11.475 1.707
545 HD1 TRP 72 HD1 TRP 72 7.942 -12.376 4.543
546 HE1 TRP 72 HE1 TRP 72 7.450 -10.239 5.888
547 HE3 TRP 72 HE3 TRP 72 10.486 -9.009 1.650
548 HZ2 TRP 72 HZ2 TRP 72 8.068 -7.486 5.742
549 HZ3 TRP 72 HZ3 TRP 72 10.483 -6.638 2.324
550 HH2 TRP 72 HH2 TRP 72 9.299 -5.896 4.328
551 H GLU 73 H GLU 73 8.466 -11.761 -1.333
552 HA GLU 73 HA GLU 73 10.388 -13.839 -2.142
553 1HB GLU 73 2HB GLU 73 7.668 -13.427 -3.415
554 2HB GLU 73 1HB GLU 73 8.922 -14.502 -4.021
555 1HG GLU 73 2HG GLU 73 8.725 -15.940 -2.141
556 2HG GLU 73 1HG GLU 73 7.713 -14.783 -1.279
557 H ALA 74 H ALA 74 11.775 -13.187 -3.692
558 HA ALA 74 HA ALA 74 11.862 -10.450 -4.453
559 1HB ALA 74 1HB ALA 74 13.870 -11.054 -5.694
560 2HB ALA 74 2HB ALA 74 13.494 -12.766 -5.489
561 3HB ALA 74 3HB ALA 74 13.882 -11.773 -4.084
562 H SER 75 H SER 75 10.123 -9.841 -5.708
563 HA SER 75 HA SER 75 9.178 -11.297 -7.961
564 1HB SER 75 2HB SER 75 8.793 -8.378 -7.237
565 2HB SER 75 1HB SER 75 7.924 -9.212 -8.524
566 HG SER 75 HG SER 75 6.611 -9.950 -7.079
567 H ARG 76 H ARG 76 11.787 -9.039 -7.556
568 HA ARG 76 HA ARG 76 12.194 -8.985 -10.491
569 1HB ARG 76 2HB ARG 76 13.108 -6.909 -8.480
570 2HB ARG 76 1HB ARG 76 13.346 -6.841 -10.221
571 1HG ARG 76 2HG ARG 76 10.891 -6.733 -10.519
572 2HG ARG 76 1HG ARG 76 10.706 -6.712 -8.764
573 1HD ARG 76 2HD ARG 76 10.588 -4.453 -9.395
574 2HD ARG 76 1HD ARG 76 12.235 -4.656 -8.800
575 HE ARG 76 HE ARG 76 11.416 -4.342 -11.601
576 1HH1 ARG 76 1HH1 ARG 76 13.957 -4.548 -9.283
577 2HH1 ARG 76 2HH1 ARG 76 15.138 -3.904 -10.363
578 1HH2 ARG 76 1HH2 ARG 76 12.931 -3.492 -12.962
579 2HH2 ARG 76 2HH2 ARG 76 14.565 -3.311 -12.426
580 H GLY 77 H GLY 77 13.149 -10.998 -8.523
581 1HA GLY 77 2HA GLY 77 15.052 -12.294 -8.350
582 2HA GLY 77 1HA GLY 77 15.844 -11.200 -9.469
583 H GLY 78 H GLY 78 16.791 -9.222 -8.585
584 1HA GLY 78 2HA GLY 78 18.172 -9.679 -6.120
585 2HA GLY 78 1HA GLY 78 18.246 -8.221 -7.096
586 H ALA 79 H ALA 79 15.566 -7.444 -7.051
587 HA ALA 79 HA ALA 79 15.349 -6.390 -4.352
588 1HB ALA 79 1HB ALA 79 13.584 -5.883 -6.751
589 2HB ALA 79 2HB ALA 79 15.010 -4.939 -6.321
590 3HB ALA 79 3HB ALA 79 13.608 -4.955 -5.251
591 H ARG 80 H ARG 80 14.164 -7.301 -2.783
592 HA ARG 80 HA ARG 80 12.306 -9.449 -3.403
593 1HB ARG 80 2HB ARG 80 13.058 -8.309 -0.703
594 2HB ARG 80 1HB ARG 80 12.188 -9.808 -0.996
595 1HG ARG 80 2HG ARG 80 14.223 -10.654 -2.194
596 2HG ARG 80 1HG ARG 80 15.068 -9.207 -1.641
597 1HD ARG 80 2HD ARG 80 13.855 -11.386 0.060
598 2HD ARG 80 1HD ARG 80 15.566 -11.012 -0.130
599 HE ARG 80 HE ARG 80 14.372 -8.718 0.858
600 1HH1 ARG 80 1HH1 ARG 80 14.816 -11.979 1.879
601 2HH1 ARG 80 2HH1 ARG 80 14.790 -11.572 3.560
602 1HH2 ARG 80 1HH2 ARG 80 14.352 -8.206 3.020
603 2HH2 ARG 80 2HH2 ARG 80 14.542 -9.459 4.198
604 H PHE 81 H PHE 81 10.108 -9.495 -2.818
605 HA PHE 81 HA PHE 81 8.883 -6.953 -1.988
606 1HB PHE 81 2HB PHE 81 8.088 -8.621 -4.388
607 2HB PHE 81 1HB PHE 81 7.011 -7.437 -3.655
608 HD1 PHE 81 HD2 PHE 81 10.187 -7.878 -5.484
609 HD2 PHE 81 HD1 PHE 81 7.308 -5.100 -4.015
610 HE1 PHE 81 HE2 PHE 81 11.213 -6.101 -6.835
611 HE2 PHE 81 HE1 PHE 81 8.331 -3.322 -5.370
612 HZ PHE 81 HZ PHE 81 10.284 -3.818 -6.781
613 HA PRO 82 HA PRO 82 6.739 -9.825 0.761
614 1HB PRO 82 2HB PRO 82 5.128 -7.966 1.942
615 2HB PRO 82 1HB PRO 82 6.826 -8.187 2.372
616 1HG PRO 82 2HG PRO 82 5.582 -6.146 0.563
617 2HG PRO 82 1HG PRO 82 6.839 -5.932 1.797
618 1HD PRO 82 2HD PRO 82 7.414 -6.104 -0.843
619 2HD PRO 82 1HD PRO 82 8.511 -6.720 0.411
620 H HIS 83 H HIS 83 5.330 -11.150 -0.269
621 HA HIS 83 HA HIS 83 3.147 -10.056 -1.877
622 1HB HIS 83 2HB HIS 83 4.070 -12.914 -1.466
623 2HB HIS 83 1HB HIS 83 2.788 -12.417 -2.564
624 HD1 HIS 83 HD1 HIS 83 4.939 -13.885 -3.904
625 HD2 HIS 83 HD2 HIS 83 5.233 -9.791 -3.241
626 HE1 HIS 83 HE1 HIS 83 6.567 -13.041 -5.616
627 HE2 HIS 83 HE2 HIS 83 6.895 -10.615 -5.046
628 H LEU 84 H LEU 84 1.018 -10.169 -1.362
629 HA LEU 84 HA LEU 84 0.236 -11.554 1.126
630 1HB LEU 84 2HB LEU 84 0.063 -9.094 1.270
631 2HB LEU 84 1HB LEU 84 -0.985 -9.086 -0.134
632 HG LEU 84 HG LEU 84 -2.681 -10.364 1.134
633 1HD1 LEU 84 1HD1 LEU 84 -2.456 -10.630 3.551
634 2HD1 LEU 84 2HD1 LEU 84 -0.812 -9.995 3.476
635 3HD1 LEU 84 3HD1 LEU 84 -1.207 -11.525 2.690
636 1HD2 LEU 84 1HD2 LEU 84 -1.784 -7.817 2.488
637 2HD2 LEU 84 2HD2 LEU 84 -3.393 -8.533 2.583
638 3HD2 LEU 84 3HD2 LEU 84 -2.791 -7.923 1.042
639 H TYR 85 H TYR 85 -1.053 -13.272 0.799
640 HA TYR 85 HA TYR 85 -2.263 -13.635 -1.847
641 1HB TYR 85 2HB TYR 85 -1.579 -15.567 0.371
642 2HB TYR 85 1HB TYR 85 -2.470 -16.042 -1.076
643 HD1 TYR 85 HD1 TYR 85 0.771 -14.622 0.091
644 HD2 TYR 85 HD2 TYR 85 -1.338 -16.484 -3.108
645 HE1 TYR 85 HE1 TYR 85 2.881 -14.897 -1.139
646 HE2 TYR 85 HE2 TYR 85 0.770 -16.762 -4.340
647 HH TYR 85 HH TYR 85 3.863 -16.082 -2.885
648 H ARG 86 H ARG 86 -3.575 -11.878 -0.014
649 HA ARG 86 HA ARG 86 -6.221 -12.847 -0.465
650 1HB ARG 86 2HB ARG 86 -7.044 -12.688 1.851
651 2HB ARG 86 1HB ARG 86 -5.866 -13.977 1.662
652 1HG ARG 86 2HG ARG 86 -4.177 -12.701 2.770
653 2HG ARG 86 1HG ARG 86 -5.189 -11.254 2.762
654 1HD ARG 86 2HD ARG 86 -6.748 -12.262 4.293
655 2HD ARG 86 1HD ARG 86 -5.923 -13.815 4.184
656 HE ARG 86 HE ARG 86 -4.103 -12.878 5.417
657 1HH1 ARG 86 1HH1 ARG 86 -6.934 -10.898 5.348
658 2HH1 ARG 86 2HH1 ARG 86 -6.461 -10.019 6.764
659 1HH2 ARG 86 1HH2 ARG 86 -3.568 -11.780 7.243
660 2HH2 ARG 86 2HH2 ARG 86 -4.584 -10.495 7.811
661 HA PRO 87 HA PRO 87 -7.041 -8.524 -0.940
662 1HB PRO 87 2HB PRO 87 -9.541 -8.277 0.235
663 2HB PRO 87 1HB PRO 87 -9.248 -8.850 -1.409
664 1HG PRO 87 2HG PRO 87 -9.721 -10.434 1.092
665 2HG PRO 87 1HG PRO 87 -10.356 -10.706 -0.544
666 1HD PRO 87 2HD PRO 87 -8.316 -12.161 0.397
667 2HD PRO 87 1HD PRO 87 -8.356 -11.636 -1.301
668 H LEU 88 H LEU 88 -6.980 -6.523 0.161
669 HA LEU 88 HA LEU 88 -5.918 -6.803 2.872
670 1HB LEU 88 2HB LEU 88 -4.554 -5.660 1.189
671 2HB LEU 88 1HB LEU 88 -5.825 -4.477 0.942
672 HG LEU 88 HG LEU 88 -5.522 -3.688 3.272
673 1HD1 LEU 88 1HD1 LEU 88 -3.223 -5.646 3.322
674 2HD1 LEU 88 2HD1 LEU 88 -4.699 -5.743 4.284
675 3HD1 LEU 88 3HD1 LEU 88 -3.558 -4.426 4.552
676 1HD2 LEU 88 1HD2 LEU 88 -4.349 -2.569 1.454
677 2HD2 LEU 88 2HD2 LEU 88 -3.005 -3.701 1.604
678 3HD2 LEU 88 3HD2 LEU 88 -3.362 -2.578 2.917
679 H LEU 89 H LEU 89 -7.524 -6.752 4.361
680 HA LEU 89 HA LEU 89 -9.850 -5.137 4.233
681 1HB LEU 89 2HB LEU 89 -8.493 -6.269 6.691
682 2HB LEU 89 1HB LEU 89 -10.155 -5.719 6.590
683 HG LEU 89 HG LEU 89 -9.010 -8.102 5.115
684 1HD1 LEU 89 1HD1 LEU 89 -10.362 -9.443 6.640
685 2HD1 LEU 89 2HD1 LEU 89 -10.853 -7.985 7.504
686 3HD1 LEU 89 3HD1 LEU 89 -9.163 -8.493 7.516
687 1HD2 LEU 89 1HD2 LEU 89 -11.350 -8.589 4.550
688 2HD2 LEU 89 2HD2 LEU 89 -10.806 -7.062 3.861
689 3HD2 LEU 89 3HD2 LEU 89 -11.841 -7.064 5.289
690 H VAL 90 H VAL 90 -10.293 -3.073 5.055
691 HA VAL 90 HA VAL 90 -8.174 -1.252 5.474
692 HB VAL 90 HB VAL 90 -11.085 -0.982 6.282
693 1HG1 VAL 90 1HG1 VAL 90 -10.663 1.445 6.303
694 2HG1 VAL 90 2HG1 VAL 90 -8.947 1.142 6.031
695 3HG1 VAL 90 3HG1 VAL 90 -9.712 0.603 7.527
696 1HG2 VAL 90 1HG2 VAL 90 -9.612 -0.037 3.819
697 2HG2 VAL 90 2HG2 VAL 90 -11.293 0.329 4.208
698 3HG2 VAL 90 3HG2 VAL 90 -10.804 -1.335 3.888
699 H SER 91 H SER 91 -10.152 -3.124 7.712
700 HA SER 91 HA SER 91 -9.070 -2.020 10.106
701 1HB SER 91 2HB SER 91 -10.386 -4.722 9.705
702 2HB SER 91 1HB SER 91 -10.168 -3.886 11.243
703 HG SER 91 HG SER 91 -11.551 -2.251 10.494
704 H GLU 92 H GLU 92 -7.531 -3.789 7.798
705 HA GLU 92 HA GLU 92 -5.817 -5.289 9.650
706 1HB GLU 92 2HB GLU 92 -6.736 -6.251 7.449
707 2HB GLU 92 1HB GLU 92 -5.588 -5.200 6.635
708 1HG GLU 92 2HG GLU 92 -4.527 -7.278 6.748
709 2HG GLU 92 1HG GLU 92 -3.790 -6.333 8.041
710 H VAL 93 H VAL 93 -5.957 -2.314 8.016
711 HA VAL 93 HA VAL 93 -3.140 -1.952 7.522
712 HB VAL 93 HB VAL 93 -5.399 0.063 7.452
713 1HG1 VAL 93 1HG1 VAL 93 -2.599 0.235 6.322
714 2HG1 VAL 93 2HG1 VAL 93 -3.229 1.152 7.691
715 3HG1 VAL 93 3HG1 VAL 93 -3.882 1.420 6.075
716 1HG2 VAL 93 1HG2 VAL 93 -4.152 -1.562 5.227
717 2HG2 VAL 93 2HG2 VAL 93 -5.336 -0.273 5.009
718 3HG2 VAL 93 3HG2 VAL 93 -5.784 -1.743 5.873
719 H THR 94 H THR 94 -1.677 -1.368 8.990
720 HA THR 94 HA THR 94 -2.307 -0.623 11.648
721 HB THR 94 HB THR 94 0.363 -0.203 10.285
722 HG1 THR 94 HG1 THR 94 -0.148 -2.547 11.740
723 1HG2 THR 94 1HG2 THR 94 0.165 0.790 12.521
724 2HG2 THR 94 2HG2 THR 94 1.268 -0.586 12.539
725 3HG2 THR 94 3HG2 THR 94 -0.371 -0.761 13.168
726 H ARG 95 H ARG 95 -0.751 1.311 9.042
727 HA ARG 95 HA ARG 95 -2.015 3.725 10.148
728 1HB ARG 95 2HB ARG 95 0.914 3.635 9.382
729 2HB ARG 95 1HB ARG 95 0.034 5.016 10.022
730 1HG ARG 95 2HG ARG 95 -0.342 3.650 12.116
731 2HG ARG 95 1HG ARG 95 0.818 2.491 11.463
732 1HD ARG 95 2HD ARG 95 2.009 3.951 12.933
733 2HD ARG 95 1HD ARG 95 2.468 4.376 11.281
734 HE ARG 95 HE ARG 95 0.318 5.904 12.543
735 1HH1 ARG 95 1HH1 ARG 95 3.605 5.776 11.507
736 2HH1 ARG 95 2HH1 ARG 95 3.814 7.485 11.615
737 1HH2 ARG 95 1HH2 ARG 95 0.608 8.100 12.688
738 2HH2 ARG 95 2HH2 ARG 95 2.141 8.787 12.279
739 H GLU 96 H GLU 96 -1.945 5.577 8.659
740 HA GLU 96 HA GLU 96 -1.283 5.064 5.866
741 1HB GLU 96 2HB GLU 96 -3.502 5.669 5.025
742 2HB GLU 96 1HB GLU 96 -3.604 4.243 6.049
743 1HG GLU 96 2HG GLU 96 -4.422 5.610 7.898
744 2HG GLU 96 1HG GLU 96 -4.284 7.055 6.899
745 H ALA 97 H ALA 97 -1.325 7.069 4.554
746 HA ALA 97 HA ALA 97 -1.792 9.584 5.906
747 1HB ALA 97 1HB ALA 97 0.425 8.987 6.769
748 2HB ALA 97 2HB ALA 97 0.485 10.432 5.757
749 3HB ALA 97 3HB ALA 97 1.037 8.883 5.118
750 H ASP 98 H ASP 98 -2.703 10.857 4.426
751 HA ASP 98 HA ASP 98 -2.310 10.551 1.605
752 1HB ASP 98 2HB ASP 98 -3.684 12.702 3.238
753 2HB ASP 98 1HB ASP 98 -3.676 12.667 1.478
754 H LEU 99 H LEU 99 -0.310 11.029 0.816
755 HA LEU 99 HA LEU 99 0.642 13.767 1.249
756 1HB LEU 99 2HB LEU 99 2.958 13.105 1.411
757 2HB LEU 99 1HB LEU 99 2.015 12.361 2.675
758 HG LEU 99 HG LEU 99 3.355 10.608 2.173
759 1HD1 LEU 99 1HD1 LEU 99 1.288 10.222 0.023
760 2HD1 LEU 99 2HD1 LEU 99 1.140 9.767 1.720
761 3HD1 LEU 99 3HD1 LEU 99 2.333 8.970 0.696
762 1HD2 LEU 99 1HD2 LEU 99 3.505 11.505 -0.699
763 2HD2 LEU 99 2HD2 LEU 99 4.359 10.125 -0.012
764 3HD2 LEU 99 3HD2 LEU 99 4.720 11.754 0.554
765 H ASP 100 H ASP 100 -0.085 14.526 -0.647
766 HA ASP 100 HA ASP 100 0.506 13.079 -3.102
767 1HB ASP 100 2HB ASP 100 -0.958 14.842 -4.156
768 2HB ASP 100 1HB ASP 100 -1.742 13.824 -2.954
769 H LEU 101 H LEU 101 2.710 13.359 -3.286
770 HA LEU 101 HA LEU 101 4.554 14.245 -4.266
771 1HB LEU 101 2HB LEU 101 2.683 16.404 -5.246
772 2HB LEU 101 1HB LEU 101 4.276 16.046 -5.888
773 HG LEU 101 HG LEU 101 1.820 14.296 -6.047
774 1HD1 LEU 101 1HD1 LEU 101 1.857 16.167 -7.619
775 2HD1 LEU 101 2HD1 LEU 101 2.041 14.623 -8.450
776 3HD1 LEU 101 3HD1 LEU 101 3.446 15.658 -8.195
777 1HD2 LEU 101 1HD2 LEU 101 3.206 12.725 -7.316
778 2HD2 LEU 101 2HD2 LEU 101 3.791 12.912 -5.660
779 3HD2 LEU 101 3HD2 LEU 101 4.630 13.713 -6.989
780 H ASP 102 H ASP 102 5.577 16.675 -4.697
781 HA ASP 102 HA ASP 102 5.263 18.431 -2.421
782 1HB ASP 102 2HB ASP 102 6.845 16.506 -1.745
783 2HB ASP 102 1HB ASP 102 7.992 17.197 -2.886
784 H ALA 103 H ALA 103 7.667 19.903 -2.785
785 HA ALA 103 HA ALA 103 7.012 21.660 -4.803
786 1HB ALA 103 1HB ALA 103 8.501 22.172 -2.922
787 2HB ALA 103 2HB ALA 103 9.198 22.656 -4.469
788 3HB ALA 103 3HB ALA 103 9.765 21.191 -3.665
789 H ASP 104 H ASP 104 8.897 18.710 -5.123
790 HA ASP 104 HA ASP 104 9.898 19.544 -7.756
791 1HB ASP 104 2HB ASP 104 11.446 17.672 -7.570
792 2HB ASP 104 1HB ASP 104 11.523 18.661 -6.115
793 H GLY 105 H GLY 105 7.165 18.163 -6.696
794 1HA GLY 105 2HA GLY 105 5.496 17.083 -7.894
795 2HA GLY 105 1HA GLY 105 6.619 16.907 -9.228
796 H VAL 106 H VAL 106 7.975 15.731 -6.377
797 HA VAL 106 HA VAL 106 7.115 12.963 -6.975
798 HB VAL 106 HB VAL 106 9.845 13.880 -6.029
799 1HG1 VAL 106 1HG1 VAL 106 8.872 11.106 -6.740
800 2HG1 VAL 106 2HG1 VAL 106 9.287 11.685 -5.127
801 3HG1 VAL 106 3HG1 VAL 106 10.539 11.543 -6.361
802 1HG2 VAL 106 1HG2 VAL 106 9.452 14.456 -8.368
803 2HG2 VAL 106 2HG2 VAL 106 8.996 12.787 -8.717
804 3HG2 VAL 106 3HG2 VAL 106 10.649 13.167 -8.230
805 HA PRO 107 HA PRO 107 5.735 12.941 -2.716
806 1HB PRO 107 2HB PRO 107 5.719 10.209 -2.333
807 2HB PRO 107 1HB PRO 107 4.425 11.115 -3.124
808 1HG PRO 107 2HG PRO 107 6.660 9.545 -4.343
809 2HG PRO 107 1HG PRO 107 4.961 9.653 -4.841
810 1HD PRO 107 2HD PRO 107 6.920 11.002 -6.119
811 2HD PRO 107 1HD PRO 107 5.283 11.663 -5.943
812 H GLN 108 H GLN 108 7.404 13.801 -1.547
813 HA GLN 108 HA GLN 108 9.949 12.557 -1.247
814 1HB GLN 108 2HB GLN 108 8.688 14.799 0.348
815 2HB GLN 108 1HB GLN 108 10.370 14.304 0.478
816 1HG GLN 108 2HG GLN 108 9.012 15.488 -1.941
817 2HG GLN 108 1HG GLN 108 10.198 16.271 -0.899
818 1HE2 GLN 108 1HE2 GLN 108 9.688 14.083 -3.500
819 2HE2 GLN 108 2HE2 GLN 108 11.348 13.840 -3.905
820 H LEU 109 H LEU 109 9.200 10.402 -0.553
821 HA LEU 109 HA LEU 109 8.089 9.932 1.999
822 1HB LEU 109 2HB LEU 109 9.528 8.286 -0.016
823 2HB LEU 109 1HB LEU 109 9.450 7.651 1.615
824 HG LEU 109 HG LEU 109 6.998 7.722 1.545
825 1HD1 LEU 109 1HD1 LEU 109 7.323 8.649 -1.306
826 2HD1 LEU 109 2HD1 LEU 109 6.713 9.619 0.035
827 3HD1 LEU 109 3HD1 LEU 109 5.807 8.211 -0.516
828 1HD2 LEU 109 1HD2 LEU 109 8.107 5.680 0.864
829 2HD2 LEU 109 2HD2 LEU 109 8.262 6.281 -0.787
830 3HD2 LEU 109 3HD2 LEU 109 6.666 5.936 -0.120
831 H GLY 110 H GLY 110 11.262 10.924 1.137
832 1HA GLY 110 2HA GLY 110 12.907 9.759 3.031
833 2HA GLY 110 1HA GLY 110 13.119 11.388 2.414
834 H ASP 111 H ASP 111 10.687 12.474 3.500
835 HA ASP 111 HA ASP 111 11.551 12.982 6.203
836 1HB ASP 111 2HB ASP 111 10.690 14.803 4.831
837 2HB ASP 111 1HB ASP 111 9.156 13.966 4.631
838 H HIS 112 H HIS 112 9.003 11.109 4.656
839 HA HIS 112 HA HIS 112 7.452 10.850 7.083
840 1HB HIS 112 2HB HIS 112 6.343 11.068 4.905
841 2HB HIS 112 1HB HIS 112 7.081 9.564 4.368
842 HD1 HIS 112 HD1 HIS 112 4.457 10.877 6.717
843 HD2 HIS 112 HD2 HIS 112 5.822 7.258 5.216
844 HE1 HIS 112 HE1 HIS 112 2.775 9.173 7.460
845 HE2 HIS 112 HE2 HIS 112 3.784 6.971 6.787
846 H LEU 113 H LEU 113 9.867 8.953 5.435
847 HA LEU 113 HA LEU 113 9.199 6.522 6.915
848 1HB LEU 113 2HB LEU 113 11.463 7.001 4.974
849 2HB LEU 113 1HB LEU 113 10.951 5.449 5.611
850 HG LEU 113 HG LEU 113 9.424 7.217 3.696
851 1HD1 LEU 113 1HD1 LEU 113 11.229 5.977 2.659
852 2HD1 LEU 113 2HD1 LEU 113 9.674 5.303 2.171
853 3HD1 LEU 113 3HD1 LEU 113 10.652 4.477 3.385
854 1HD2 LEU 113 1HD2 LEU 113 8.569 4.612 4.963
855 2HD2 LEU 113 2HD2 LEU 113 7.718 5.453 3.668
856 3HD2 LEU 113 3HD2 LEU 113 7.859 6.200 5.258
857 H ALA 114 H ALA 114 12.191 8.310 6.342
858 HA ALA 114 HA ALA 114 12.855 8.494 9.129
859 1HB ALA 114 1HB ALA 114 14.897 7.155 9.062
860 2HB ALA 114 2HB ALA 114 14.552 6.683 7.397
861 3HB ALA 114 3HB ALA 114 13.491 6.152 8.703
862 H LEU 115 H LEU 115 14.029 10.323 9.392
863 HA LEU 115 HA LEU 115 14.286 12.158 7.360
864 1HB LEU 115 2HB LEU 115 15.891 12.044 9.916
865 2HB LEU 115 1HB LEU 115 15.767 13.449 8.874
866 HG LEU 115 HG LEU 115 13.512 12.176 10.440
867 1HD1 LEU 115 1HD1 LEU 115 15.065 13.470 11.815
868 2HD1 LEU 115 2HD1 LEU 115 13.506 14.281 11.683
869 3HD1 LEU 115 3HD1 LEU 115 14.879 14.854 10.737
870 1HD2 LEU 115 1HD2 LEU 115 13.462 14.561 8.581
871 2HD2 LEU 115 2HD2 LEU 115 12.140 14.054 9.631
872 3HD2 LEU 115 3HD2 LEU 115 12.666 13.009 8.313
873 H GLU 116 H GLU 116 15.308 11.414 5.509
874 HA GLU 116 HA GLU 116 18.156 10.763 5.633
875 1HB GLU 116 2HB GLU 116 16.691 9.489 4.082
876 2HB GLU 116 1HB GLU 116 16.335 10.979 3.213
877 1HG GLU 116 2HG GLU 116 18.846 11.175 2.825
878 2HG GLU 116 1HG GLU 116 18.959 9.518 3.411
Start of MODEL 3
1 1H MET 1 1H MET 1 11.875 -3.165 14.054
2 2H MET 1 2H MET 1 11.638 -4.791 13.670
3 3H MET 1 3H MET 1 11.222 -4.218 15.203
4 HA MET 1 HA MET 1 9.263 -4.544 13.838
5 1HB MET 1 2HB MET 1 9.284 -2.765 15.551
6 2HB MET 1 1HB MET 1 9.898 -1.626 14.360
7 1HG MET 1 2HG MET 1 7.833 -1.863 13.068
8 2HG MET 1 1HG MET 1 7.220 -3.008 14.261
9 1HE MET 1 1HE MET 1 5.001 -1.603 14.658
10 2HE MET 1 2HE MET 1 5.538 -0.494 13.396
11 3HE MET 1 3HE MET 1 4.997 0.135 14.952
12 H THR 2 H THR 2 9.216 -5.132 11.713
13 HA THR 2 HA THR 2 10.268 -3.364 9.649
14 HB THR 2 HB THR 2 9.550 -5.166 8.066
15 HG1 THR 2 HG1 THR 2 9.177 -7.082 9.967
16 1HG2 THR 2 1HG2 THR 2 11.821 -5.174 8.987
17 2HG2 THR 2 2HG2 THR 2 11.223 -6.821 8.777
18 3HG2 THR 2 3HG2 THR 2 11.260 -6.094 10.384
19 H LEU 3 H LEU 3 9.075 -2.293 8.107
20 HA LEU 3 HA LEU 3 6.133 -2.292 8.402
21 1HB LEU 3 2HB LEU 3 7.908 0.116 7.940
22 2HB LEU 3 1HB LEU 3 6.154 0.138 7.972
23 HG LEU 3 HG LEU 3 7.931 -0.554 10.327
24 1HD1 LEU 3 1HD1 LEU 3 7.230 1.594 11.248
25 2HD1 LEU 3 2HD1 LEU 3 6.330 1.947 9.773
26 3HD1 LEU 3 3HD1 LEU 3 8.088 1.812 9.722
27 1HD2 LEU 3 1HD2 LEU 3 4.938 -0.162 10.174
28 2HD2 LEU 3 2HD2 LEU 3 5.874 -0.455 11.640
29 3HD2 LEU 3 3HD2 LEU 3 5.770 -1.702 10.399
30 H ILE 4 H ILE 4 4.950 -2.188 6.522
31 HA ILE 4 HA ILE 4 6.467 -2.182 3.989
32 HB ILE 4 HB ILE 4 4.544 -3.390 3.002
33 1HG1 ILE 4 2HG1 ILE 4 3.552 -3.508 5.871
34 2HG1 ILE 4 1HG1 ILE 4 2.771 -2.665 4.538
35 1HG2 ILE 4 1HG2 ILE 4 6.496 -4.616 3.788
36 2HG2 ILE 4 2HG2 ILE 4 5.031 -5.563 4.041
37 3HG2 ILE 4 3HG2 ILE 4 5.792 -4.736 5.401
38 1HD1 ILE 4 1HD1 ILE 4 3.147 -5.645 4.758
39 2HD1 ILE 4 2HD1 ILE 4 2.347 -4.795 3.433
40 3HD1 ILE 4 3HD1 ILE 4 1.653 -4.757 5.053
41 H TYR 5 H TYR 5 5.850 -0.852 2.313
42 HA TYR 5 HA TYR 5 3.807 1.192 2.949
43 1HB TYR 5 2HB TYR 5 6.441 1.618 1.508
44 2HB TYR 5 1HB TYR 5 5.236 2.857 1.842
45 HD1 TYR 5 HD2 TYR 5 7.715 0.590 3.393
46 HD2 TYR 5 HD1 TYR 5 5.160 3.947 3.975
47 HE1 TYR 5 HE2 TYR 5 8.842 1.071 5.526
48 HE2 TYR 5 HE1 TYR 5 6.279 4.431 6.110
49 HH TYR 5 HH TYR 5 7.602 3.268 7.812
50 H LYS 6 H LYS 6 2.342 1.672 1.379
51 HA LYS 6 HA LYS 6 2.940 0.918 -1.403
52 1HB LYS 6 2HB LYS 6 1.572 -0.880 -0.291
53 2HB LYS 6 1HB LYS 6 0.286 0.299 -0.083
54 1HG LYS 6 2HG LYS 6 0.037 0.521 -2.476
55 2HG LYS 6 1HG LYS 6 1.435 -0.522 -2.753
56 1HD LYS 6 2HD LYS 6 0.231 -2.380 -1.644
57 2HD LYS 6 1HD LYS 6 -1.173 -1.332 -1.450
58 1HE LYS 6 2HE LYS 6 -1.438 -2.816 -3.370
59 2HE LYS 6 1HE LYS 6 -1.372 -1.131 -3.877
60 1HZ LYS 6 1HZ LYS 6 0.997 -2.915 -3.927
61 2HZ LYS 6 2HZ LYS 6 0.809 -1.415 -4.686
62 3HZ LYS 6 3HZ LYS 6 -0.055 -2.757 -5.239
63 H ILE 7 H ILE 7 2.842 2.746 -2.526
64 HA ILE 7 HA ILE 7 1.168 4.971 -1.704
65 HB ILE 7 HB ILE 7 2.945 4.747 -4.150
66 1HG1 ILE 7 2HG1 ILE 7 3.586 5.936 -1.433
67 2HG1 ILE 7 1HG1 ILE 7 4.229 4.419 -2.055
68 1HG2 ILE 7 1HG2 ILE 7 2.893 7.214 -4.111
69 2HG2 ILE 7 2HG2 ILE 7 1.758 7.160 -2.762
70 3HG2 ILE 7 3HG2 ILE 7 1.288 6.520 -4.337
71 1HD1 ILE 7 1HD1 ILE 7 5.863 6.170 -2.278
72 2HD1 ILE 7 2HD1 ILE 7 4.723 7.171 -3.173
73 3HD1 ILE 7 3HD1 ILE 7 5.320 5.667 -3.879
74 H LEU 8 H LEU 8 -0.651 5.703 -2.748
75 HA LEU 8 HA LEU 8 -1.379 4.814 -5.388
76 1HB LEU 8 2HB LEU 8 -3.394 3.643 -4.872
77 2HB LEU 8 1HB LEU 8 -2.097 2.887 -3.970
78 HG LEU 8 HG LEU 8 -4.153 4.794 -2.823
79 1HD1 LEU 8 1HD1 LEU 8 -5.141 2.657 -3.412
80 2HD1 LEU 8 2HD1 LEU 8 -5.016 2.812 -1.660
81 3HD1 LEU 8 3HD1 LEU 8 -3.868 1.802 -2.540
82 1HD2 LEU 8 1HD2 LEU 8 -2.052 4.975 -1.619
83 2HD2 LEU 8 2HD2 LEU 8 -1.962 3.221 -1.459
84 3HD2 LEU 8 3HD2 LEU 8 -3.239 4.118 -0.635
85 H SER 9 H SER 9 -3.370 5.869 -6.170
86 HA SER 9 HA SER 9 -3.651 8.549 -5.223
87 1HB SER 9 2HB SER 9 -4.048 8.222 -7.550
88 2HB SER 9 1HB SER 9 -5.212 6.931 -7.247
89 HG SER 9 HG SER 9 -5.884 9.308 -7.716
90 H ARG 10 H ARG 10 -5.481 9.556 -4.257
91 HA ARG 10 HA ARG 10 -6.761 8.134 -2.204
92 1HB ARG 10 2HB ARG 10 -6.477 10.630 -2.294
93 2HB ARG 10 1HB ARG 10 -7.764 10.689 -3.490
94 1HG ARG 10 2HG ARG 10 -8.635 11.254 -1.304
95 2HG ARG 10 1HG ARG 10 -9.322 9.718 -1.839
96 1HD ARG 10 2HD ARG 10 -7.611 8.536 -0.469
97 2HD ARG 10 1HD ARG 10 -7.062 10.101 0.131
98 HE ARG 10 HE ARG 10 -9.870 9.600 0.542
99 1HH1 ARG 10 1HH1 ARG 10 -6.696 9.274 1.857
100 2HH1 ARG 10 2HH1 ARG 10 -7.267 9.008 3.467
101 1HH2 ARG 10 1HH2 ARG 10 -10.583 9.312 2.626
102 2HH2 ARG 10 2HH2 ARG 10 -9.442 9.050 3.898
103 H ALA 11 H ALA 11 -7.638 8.648 -5.551
104 HA ALA 11 HA ALA 11 -10.328 7.805 -5.469
105 1HB ALA 11 1HB ALA 11 -10.063 7.348 -7.867
106 2HB ALA 11 2HB ALA 11 -8.313 7.507 -7.702
107 3HB ALA 11 3HB ALA 11 -9.356 8.901 -7.420
108 H GLU 12 H GLU 12 -7.310 5.967 -5.828
109 HA GLU 12 HA GLU 12 -8.501 3.403 -6.137
110 1HB GLU 12 2HB GLU 12 -5.762 4.136 -5.062
111 2HB GLU 12 1HB GLU 12 -6.259 2.524 -5.558
112 1HG GLU 12 2HG GLU 12 -6.125 4.923 -7.380
113 2HG GLU 12 1HG GLU 12 -4.870 3.696 -7.229
114 H TRP 13 H TRP 13 -7.175 5.122 -3.326
115 HA TRP 13 HA TRP 13 -7.601 3.132 -1.397
116 1HB TRP 13 2HB TRP 13 -6.154 5.037 -0.975
117 2HB TRP 13 1HB TRP 13 -7.513 6.145 -1.106
118 HD1 TRP 13 HD1 TRP 13 -7.987 7.058 1.222
119 HE1 TRP 13 HE1 TRP 13 -8.160 6.100 3.603
120 HE3 TRP 13 HE3 TRP 13 -6.742 2.196 0.224
121 HZ2 TRP 13 HZ2 TRP 13 -7.826 3.608 4.883
122 HZ3 TRP 13 HZ3 TRP 13 -6.698 0.587 2.087
123 HH2 TRP 13 HH2 TRP 13 -7.229 1.281 4.368
124 H ASP 14 H ASP 14 -9.695 5.920 -2.242
125 HA ASP 14 HA ASP 14 -11.803 5.221 -0.509
126 1HB ASP 14 2HB ASP 14 -11.480 7.069 -2.810
127 2HB ASP 14 1HB ASP 14 -13.131 6.600 -2.411
128 H ALA 15 H ALA 15 -11.047 4.118 -3.770
129 HA ALA 15 HA ALA 15 -13.515 2.870 -4.355
130 1HB ALA 15 1HB ALA 15 -11.754 3.255 -6.034
131 2HB ALA 15 2HB ALA 15 -12.285 1.573 -6.008
132 3HB ALA 15 3HB ALA 15 -10.755 2.028 -5.255
133 H ALA 16 H ALA 16 -10.568 1.593 -2.824
134 HA ALA 16 HA ALA 16 -11.667 -0.984 -2.245
135 1HB ALA 16 1HB ALA 16 -9.309 0.406 -0.969
136 2HB ALA 16 2HB ALA 16 -9.249 -0.563 -2.441
137 3HB ALA 16 3HB ALA 16 -9.672 -1.321 -0.906
138 H LYS 17 H LYS 17 -11.279 1.999 -0.399
139 HA LYS 17 HA LYS 17 -12.185 1.014 2.097
140 1HB LYS 17 2HB LYS 17 -10.815 3.046 1.838
141 2HB LYS 17 1HB LYS 17 -12.151 3.848 1.027
142 1HG LYS 17 2HG LYS 17 -13.454 3.862 3.038
143 2HG LYS 17 1HG LYS 17 -12.280 2.837 3.866
144 1HD LYS 17 2HD LYS 17 -12.065 5.200 4.532
145 2HD LYS 17 1HD LYS 17 -10.607 4.602 3.744
146 1HE LYS 17 2HE LYS 17 -11.097 6.821 2.928
147 2HE LYS 17 1HE LYS 17 -11.357 5.658 1.630
148 1HZ LYS 17 1HZ LYS 17 -13.136 7.226 1.644
149 2HZ LYS 17 2HZ LYS 17 -13.439 6.968 3.287
150 3HZ LYS 17 3HZ LYS 17 -13.753 5.741 2.170
151 H ALA 18 H ALA 18 -13.868 2.238 -0.721
152 HA ALA 18 HA ALA 18 -16.389 2.754 0.431
153 1HB ALA 18 1HB ALA 18 -17.285 2.506 -1.842
154 2HB ALA 18 2HB ALA 18 -15.752 1.808 -2.368
155 3HB ALA 18 3HB ALA 18 -15.817 3.485 -1.827
156 H GLN 19 H GLN 19 -15.102 -0.212 -1.069
157 HA GLN 19 HA GLN 19 -17.392 -1.774 -0.215
158 1HB GLN 19 2HB GLN 19 -16.097 -3.698 -1.189
159 2HB GLN 19 1HB GLN 19 -16.444 -2.396 -2.319
160 1HG GLN 19 2HG GLN 19 -14.160 -1.551 -2.032
161 2HG GLN 19 1HG GLN 19 -13.817 -2.878 -0.923
162 1HE2 GLN 19 1HE2 GLN 19 -12.599 -2.176 -3.508
163 2HE2 GLN 19 2HE2 GLN 19 -12.760 -3.578 -4.500
164 H GLY 20 H GLY 20 -14.332 -0.904 1.084
165 1HA GLY 20 2HA GLY 20 -13.789 -1.178 3.369
166 2HA GLY 20 1HA GLY 20 -14.875 -2.554 3.447
167 H ARG 21 H ARG 21 -13.061 -2.965 0.707
168 HA ARG 21 HA ARG 21 -10.858 -4.326 2.097
169 1HB ARG 21 2HB ARG 21 -11.231 -6.413 0.925
170 2HB ARG 21 1HB ARG 21 -12.679 -5.982 1.827
171 1HG ARG 21 2HG ARG 21 -13.702 -5.138 -0.248
172 2HG ARG 21 1HG ARG 21 -12.256 -5.613 -1.139
173 1HD ARG 21 2HD ARG 21 -12.645 -7.958 -0.399
174 2HD ARG 21 1HD ARG 21 -14.163 -7.433 0.329
175 HE ARG 21 HE ARG 21 -13.632 -7.111 -2.556
176 1HH1 ARG 21 1HH1 ARG 21 -15.652 -8.176 0.026
177 2HH1 ARG 21 2HH1 ARG 21 -16.897 -8.722 -1.039
178 1HH2 ARG 21 1HH2 ARG 21 -15.252 -7.777 -3.896
179 2HH2 ARG 21 2HH2 ARG 21 -16.694 -8.463 -3.231
180 H PHE 22 H PHE 22 -8.963 -4.286 1.033
181 HA PHE 22 HA PHE 22 -8.906 -3.295 -1.735
182 1HB PHE 22 2HB PHE 22 -7.576 -2.030 -0.062
183 2HB PHE 22 1HB PHE 22 -6.653 -3.485 0.290
184 HD1 PHE 22 HD2 PHE 22 -7.498 -1.136 -2.469
185 HD2 PHE 22 HD1 PHE 22 -4.710 -3.965 -0.933
186 HE1 PHE 22 HE2 PHE 22 -5.919 -0.548 -4.258
187 HE2 PHE 22 HE1 PHE 22 -3.132 -3.384 -2.720
188 HZ PHE 22 HZ PHE 22 -3.733 -1.674 -4.387
189 H GLU 23 H GLU 23 -9.261 -5.136 -2.934
190 HA GLU 23 HA GLU 23 -7.742 -7.565 -2.418
191 1HB GLU 23 2HB GLU 23 -9.703 -6.892 -4.629
192 2HB GLU 23 1HB GLU 23 -8.991 -8.478 -4.357
193 1HG GLU 23 2HG GLU 23 -10.070 -8.565 -2.143
194 2HG GLU 23 1HG GLU 23 -10.814 -6.998 -2.457
195 H GLY 24 H GLY 24 -7.060 -4.702 -3.853
196 1HA GLY 24 2HA GLY 24 -4.769 -4.496 -4.704
197 2HA GLY 24 1HA GLY 24 -5.068 -5.937 -5.659
198 H SER 25 H SER 25 -4.238 -3.182 -6.451
199 HA SER 25 HA SER 25 -6.371 -2.124 -8.047
200 1HB SER 25 2HB SER 25 -3.370 -1.717 -8.244
201 2HB SER 25 1HB SER 25 -4.570 -0.793 -9.148
202 HG SER 25 HG SER 25 -5.045 0.321 -7.406
203 H ALA 26 H ALA 26 -5.668 -1.851 -10.585
204 HA ALA 26 HA ALA 26 -6.383 -4.169 -11.839
205 1HB ALA 26 1HB ALA 26 -6.331 -1.971 -12.928
206 2HB ALA 26 2HB ALA 26 -5.575 -3.216 -13.921
207 3HB ALA 26 3HB ALA 26 -4.574 -2.068 -13.031
208 H VAL 27 H VAL 27 -2.997 -3.097 -11.376
209 HA VAL 27 HA VAL 27 -1.838 -5.403 -12.571
210 HB VAL 27 HB VAL 27 -0.587 -3.517 -10.558
211 1HG1 VAL 27 1HG1 VAL 27 1.555 -4.284 -11.473
212 2HG1 VAL 27 2HG1 VAL 27 0.707 -5.419 -12.522
213 3HG1 VAL 27 3HG1 VAL 27 0.648 -5.624 -10.772
214 1HG2 VAL 27 1HG2 VAL 27 -0.515 -3.443 -13.580
215 2HG2 VAL 27 2HG2 VAL 27 0.329 -2.339 -12.493
216 3HG2 VAL 27 3HG2 VAL 27 -1.434 -2.348 -12.547
217 H ASP 28 H ASP 28 -2.140 -4.503 -9.108
218 HA ASP 28 HA ASP 28 -1.009 -6.781 -7.993
219 1HB ASP 28 2HB ASP 28 -3.248 -5.090 -6.854
220 2HB ASP 28 1HB ASP 28 -2.219 -6.185 -5.932
221 H LEU 29 H LEU 29 -4.483 -6.187 -8.576
222 HA LEU 29 HA LEU 29 -5.398 -8.688 -7.677
223 1HB LEU 29 2HB LEU 29 -6.817 -6.674 -8.020
224 2HB LEU 29 1HB LEU 29 -6.659 -6.886 -9.754
225 HG LEU 29 HG LEU 29 -7.823 -9.067 -9.582
226 1HD1 LEU 29 1HD1 LEU 29 -8.959 -9.682 -7.504
227 2HD1 LEU 29 2HD1 LEU 29 -8.193 -8.326 -6.677
228 3HD1 LEU 29 3HD1 LEU 29 -7.209 -9.652 -7.296
229 1HD2 LEU 29 1HD2 LEU 29 -9.357 -6.769 -8.357
230 2HD2 LEU 29 2HD2 LEU 29 -10.052 -8.178 -9.160
231 3HD2 LEU 29 3HD2 LEU 29 -9.088 -7.025 -10.082
232 H ALA 30 H ALA 30 -4.329 -7.604 -10.883
233 HA ALA 30 HA ALA 30 -4.984 -9.874 -12.381
234 1HB ALA 30 1HB ALA 30 -4.174 -7.756 -13.343
235 2HB ALA 30 2HB ALA 30 -3.284 -9.151 -13.952
236 3HB ALA 30 3HB ALA 30 -2.559 -8.108 -12.726
237 H ASP 31 H ASP 31 -2.152 -9.229 -10.352
238 HA ASP 31 HA ASP 31 -0.928 -11.786 -10.881
239 1HB ASP 31 2HB ASP 31 -0.383 -9.690 -8.759
240 2HB ASP 31 1HB ASP 31 0.584 -11.147 -8.977
241 H GLY 32 H GLY 32 -3.132 -10.472 -8.496
242 1HA GLY 32 2HA GLY 32 -4.517 -11.675 -7.040
243 2HA GLY 32 1HA GLY 32 -3.591 -13.128 -7.381
244 H PHE 33 H PHE 33 -1.290 -10.943 -6.822
245 HA PHE 33 HA PHE 33 -1.248 -11.364 -3.899
246 1HB PHE 33 2HB PHE 33 1.184 -11.388 -5.707
247 2HB PHE 33 1HB PHE 33 1.126 -11.786 -3.993
248 HD1 PHE 33 HD1 PHE 33 -0.733 -13.715 -3.491
249 HD2 PHE 33 HD2 PHE 33 1.420 -13.177 -7.130
250 HE1 PHE 33 HE1 PHE 33 -1.087 -16.083 -4.051
251 HE2 PHE 33 HE2 PHE 33 1.073 -15.545 -7.688
252 HZ PHE 33 HZ PHE 33 -0.185 -16.999 -6.149
253 H ILE 34 H ILE 34 -1.458 -9.425 -2.952
254 HA ILE 34 HA ILE 34 -1.063 -6.951 -4.247
255 HB ILE 34 HB ILE 34 -1.184 -7.507 -1.270
256 1HG1 ILE 34 2HG1 ILE 34 -3.371 -6.729 -3.227
257 2HG1 ILE 34 1HG1 ILE 34 -3.164 -8.323 -2.508
258 1HG2 ILE 34 1HG2 ILE 34 -1.627 -4.920 -2.777
259 2HG2 ILE 34 2HG2 ILE 34 -0.238 -5.298 -1.758
260 3HG2 ILE 34 3HG2 ILE 34 -1.843 -5.157 -1.041
261 1HD1 ILE 34 1HD1 ILE 34 -4.923 -7.101 -1.396
262 2HD1 ILE 34 2HD1 ILE 34 -3.814 -5.779 -1.038
263 3HD1 ILE 34 3HD1 ILE 34 -3.572 -7.359 -0.293
264 H HIS 35 H HIS 35 0.828 -6.079 -4.845
265 HA HIS 35 HA HIS 35 3.243 -6.765 -3.300
266 1HB HIS 35 2HB HIS 35 4.355 -5.789 -5.505
267 2HB HIS 35 1HB HIS 35 3.797 -7.452 -5.404
268 HD1 HIS 35 HD1 HIS 35 2.864 -4.131 -6.914
269 HD2 HIS 35 HD2 HIS 35 1.767 -8.128 -7.156
270 HE1 HIS 35 HE1 HIS 35 1.389 -4.300 -8.933
271 HE2 HIS 35 HE2 HIS 35 0.961 -6.771 -9.198
272 H LEU 36 H LEU 36 4.217 -5.310 -2.107
273 HA LEU 36 HA LEU 36 3.569 -2.455 -2.495
274 1HB LEU 36 2HB LEU 36 4.519 -3.842 0.026
275 2HB LEU 36 1HB LEU 36 4.103 -2.147 -0.125
276 HG LEU 36 HG LEU 36 1.745 -2.964 -0.772
277 1HD1 LEU 36 1HD1 LEU 36 1.090 -5.142 0.123
278 2HD1 LEU 36 2HD1 LEU 36 2.773 -5.493 0.518
279 3HD1 LEU 36 3HD1 LEU 36 2.283 -5.307 -1.165
280 1HD2 LEU 36 1HD2 LEU 36 1.080 -3.141 1.578
281 2HD2 LEU 36 2HD2 LEU 36 2.250 -1.846 1.328
282 3HD2 LEU 36 3HD2 LEU 36 2.768 -3.375 2.039
283 H SER 37 H SER 37 5.348 -0.935 -1.716
284 HA SER 37 HA SER 37 7.965 -1.934 -2.673
285 1HB SER 37 2HB SER 37 6.871 0.896 -2.726
286 2HB SER 37 1HB SER 37 8.464 0.408 -3.300
287 HG SER 37 HG SER 37 7.259 0.364 -5.104
288 H ALA 38 H ALA 38 9.454 -2.178 -1.125
289 HA ALA 38 HA ALA 38 8.994 -1.098 1.520
290 1HB ALA 38 1HB ALA 38 11.218 -2.870 0.514
291 2HB ALA 38 2HB ALA 38 9.701 -3.415 1.233
292 3HB ALA 38 3HB ALA 38 10.860 -2.505 2.203
293 H GLY 39 H GLY 39 9.906 0.639 2.401
294 1HA GLY 39 2HA GLY 39 11.377 2.308 2.925
295 2HA GLY 39 1HA GLY 39 12.626 1.193 2.409
296 H GLU 40 H GLU 40 13.990 2.164 1.079
297 HA GLU 40 HA GLU 40 13.428 4.630 -0.197
298 1HB GLU 40 2HB GLU 40 15.745 2.717 -0.575
299 2HB GLU 40 1HB GLU 40 15.687 4.358 -1.208
300 1HG GLU 40 2HG GLU 40 15.545 5.245 1.063
301 2HG GLU 40 1HG GLU 40 15.562 3.608 1.713
302 H GLN 41 H GLN 41 12.975 1.368 -1.232
303 HA GLN 41 HA GLN 41 12.891 1.842 -4.040
304 1HB GLN 41 2HB GLN 41 11.577 -0.297 -2.347
305 2HB GLN 41 1HB GLN 41 11.581 -0.296 -4.107
306 1HG GLN 41 2HG GLN 41 14.013 -0.460 -4.120
307 2HG GLN 41 1HG GLN 41 14.039 -0.400 -2.358
308 1HE2 GLN 41 1HE2 GLN 41 11.688 -2.068 -2.066
309 2HE2 GLN 41 2HE2 GLN 41 12.175 -3.673 -2.451
310 H ALA 42 H ALA 42 10.579 2.264 -1.430
311 HA ALA 42 HA ALA 42 8.266 2.692 -3.021
312 1HB ALA 42 1HB ALA 42 7.304 3.728 -1.038
313 2HB ALA 42 2HB ALA 42 8.900 3.830 -0.295
314 3HB ALA 42 3HB ALA 42 8.171 2.255 -0.599
315 H GLN 43 H GLN 43 10.690 4.920 -1.676
316 HA GLN 43 HA GLN 43 9.668 7.302 -2.762
317 1HB GLN 43 2HB GLN 43 11.353 7.354 -1.035
318 2HB GLN 43 1HB GLN 43 12.497 6.502 -2.059
319 1HG GLN 43 2HG GLN 43 12.968 8.918 -1.833
320 2HG GLN 43 1HG GLN 43 12.733 8.397 -3.498
321 1HE2 GLN 43 1HE2 GLN 43 10.058 8.875 -1.292
322 2HE2 GLN 43 2HE2 GLN 43 9.423 10.267 -2.090
323 H GLU 44 H GLU 44 11.966 4.941 -4.123
324 HA GLU 44 HA GLU 44 12.450 6.252 -6.557
325 1HB GLU 44 2HB GLU 44 13.698 4.242 -5.745
326 2HB GLU 44 1HB GLU 44 12.292 3.255 -6.128
327 1HG GLU 44 2HG GLU 44 12.493 4.033 -8.501
328 2HG GLU 44 1HG GLU 44 14.010 4.811 -8.056
329 H THR 45 H THR 45 9.974 3.790 -5.757
330 HA THR 45 HA THR 45 8.664 3.724 -8.230
331 HB THR 45 HB THR 45 7.351 3.381 -5.514
332 HG1 THR 45 HG1 THR 45 9.074 1.904 -5.783
333 1HG2 THR 45 1HG2 THR 45 6.519 2.398 -8.256
334 2HG2 THR 45 2HG2 THR 45 5.727 3.673 -7.330
335 3HG2 THR 45 3HG2 THR 45 5.710 2.011 -6.736
336 H ALA 46 H ALA 46 8.287 5.937 -5.509
337 HA ALA 46 HA ALA 46 6.085 7.412 -6.405
338 1HB ALA 46 1HB ALA 46 6.924 9.213 -4.974
339 2HB ALA 46 2HB ALA 46 8.484 8.400 -4.853
340 3HB ALA 46 3HB ALA 46 7.044 7.653 -4.162
341 H ALA 47 H ALA 47 9.536 7.741 -7.163
342 HA ALA 47 HA ALA 47 9.094 9.990 -8.942
343 1HB ALA 47 1HB ALA 47 11.133 9.873 -7.599
344 2HB ALA 47 2HB ALA 47 11.516 9.880 -9.321
345 3HB ALA 47 3HB ALA 47 11.590 8.373 -8.405
346 H LYS 48 H LYS 48 8.872 6.625 -9.243
347 HA LYS 48 HA LYS 48 9.507 6.520 -12.072
348 1HB LYS 48 2HB LYS 48 8.500 4.473 -10.090
349 2HB LYS 48 1HB LYS 48 8.734 4.128 -11.789
350 1HG LYS 48 2HG LYS 48 10.909 5.031 -9.913
351 2HG LYS 48 1HG LYS 48 10.598 3.356 -10.367
352 1HD LYS 48 2HD LYS 48 11.022 3.941 -12.728
353 2HD LYS 48 1HD LYS 48 11.377 5.597 -12.238
354 1HE LYS 48 2HE LYS 48 13.431 4.323 -12.574
355 2HE LYS 48 1HE LYS 48 13.254 4.806 -10.887
356 1HZ LYS 48 1HZ LYS 48 12.465 2.132 -11.894
357 2HZ LYS 48 2HZ LYS 48 12.646 2.616 -10.282
358 3HZ LYS 48 3HZ LYS 48 14.002 2.469 -11.279
359 H TRP 49 H TRP 49 6.610 5.755 -10.097
360 HA TRP 49 HA TRP 49 4.974 6.027 -12.530
361 1HB TRP 49 2HB TRP 49 4.485 4.366 -10.052
362 2HB TRP 49 1HB TRP 49 3.371 4.494 -11.411
363 HD1 TRP 49 HD1 TRP 49 6.442 2.649 -10.265
364 HE1 TRP 49 HE1 TRP 49 7.169 0.975 -12.080
365 HE3 TRP 49 HE3 TRP 49 3.431 4.232 -14.084
366 HZ2 TRP 49 HZ2 TRP 49 6.550 0.404 -14.770
367 HZ3 TRP 49 HZ3 TRP 49 3.562 3.067 -16.247
368 HH2 TRP 49 HH2 TRP 49 5.091 1.192 -16.582
369 H PHE 50 H PHE 50 5.091 6.964 -9.101
370 HA PHE 50 HA PHE 50 2.398 8.128 -9.315
371 1HB PHE 50 2HB PHE 50 4.129 7.570 -6.895
372 2HB PHE 50 1HB PHE 50 2.517 8.280 -6.830
373 HD1 PHE 50 HD1 PHE 50 0.546 6.939 -7.550
374 HD2 PHE 50 HD2 PHE 50 4.429 5.220 -7.167
375 HE1 PHE 50 HE1 PHE 50 -0.452 4.689 -7.523
376 HE2 PHE 50 HE2 PHE 50 3.432 2.972 -7.139
377 HZ PHE 50 HZ PHE 50 0.991 2.703 -7.318
378 H ARG 51 H ARG 51 5.079 9.381 -10.243
379 HA ARG 51 HA ARG 51 5.359 11.742 -8.634
380 1HB ARG 51 2HB ARG 51 6.898 12.501 -10.390
381 2HB ARG 51 1HB ARG 51 7.253 10.850 -9.890
382 1HG ARG 51 2HG ARG 51 6.058 10.012 -11.876
383 2HG ARG 51 1HG ARG 51 5.765 11.677 -12.386
384 1HD ARG 51 2HD ARG 51 8.192 12.049 -12.497
385 2HD ARG 51 1HD ARG 51 8.462 10.370 -12.024
386 HE ARG 51 HE ARG 51 6.934 10.977 -14.453
387 1HH1 ARG 51 1HH1 ARG 51 9.681 9.574 -12.933
388 2HH1 ARG 51 2HH1 ARG 51 10.220 8.801 -14.381
389 1HH2 ARG 51 1HH2 ARG 51 7.611 9.980 -16.290
390 2HH2 ARG 51 2HH2 ARG 51 9.047 9.013 -16.265
391 H GLY 52 H GLY 52 4.575 13.782 -8.968
392 1HA GLY 52 2HA GLY 52 3.313 15.499 -9.812
393 2HA GLY 52 1HA GLY 52 3.534 14.765 -11.387
394 H GLN 53 H GLN 53 1.935 12.899 -8.912
395 HA GLN 53 HA GLN 53 -0.600 13.205 -10.367
396 1HB GLN 53 2HB GLN 53 0.276 11.126 -8.350
397 2HB GLN 53 1HB GLN 53 -1.319 11.182 -9.089
398 1HG GLN 53 2HG GLN 53 -0.205 10.964 -11.319
399 2HG GLN 53 1HG GLN 53 1.316 10.703 -10.469
400 1HE2 GLN 53 1HE2 GLN 53 1.542 8.624 -11.304
401 2HE2 GLN 53 2HE2 GLN 53 0.559 7.307 -10.779
402 H ALA 54 H ALA 54 -2.527 13.772 -9.367
403 HA ALA 54 HA ALA 54 -2.234 15.365 -6.941
404 1HB ALA 54 1HB ALA 54 -4.471 16.205 -7.452
405 2HB ALA 54 2HB ALA 54 -4.616 15.040 -8.770
406 3HB ALA 54 3HB ALA 54 -3.411 16.325 -8.859
407 H ASN 55 H ASN 55 -3.268 15.025 -5.028
408 HA ASN 55 HA ASN 55 -4.269 13.952 -3.306
409 1HB ASN 55 2HB ASN 55 -6.043 12.849 -5.502
410 2HB ASN 55 1HB ASN 55 -6.395 12.765 -3.777
411 1HD2 ASN 55 1HD2 ASN 55 -8.305 13.955 -4.122
412 2HD2 ASN 55 2HD2 ASN 55 -8.259 15.664 -4.365
413 H LEU 56 H LEU 56 -2.358 12.728 -2.879
414 HA LEU 56 HA LEU 56 -2.481 9.892 -3.699
415 1HB LEU 56 2HB LEU 56 -0.083 11.580 -2.962
416 2HB LEU 56 1HB LEU 56 -0.022 9.856 -3.277
417 HG LEU 56 HG LEU 56 -0.823 11.970 -5.288
418 1HD1 LEU 56 1HD1 LEU 56 1.299 11.445 -6.384
419 2HD1 LEU 56 2HD1 LEU 56 1.715 10.354 -5.061
420 3HD1 LEU 56 3HD1 LEU 56 1.549 12.085 -4.759
421 1HD2 LEU 56 1HD2 LEU 56 -0.435 8.991 -5.602
422 2HD2 LEU 56 2HD2 LEU 56 -0.703 10.130 -6.922
423 3HD2 LEU 56 3HD2 LEU 56 -1.962 9.869 -5.714
424 H VAL 57 H VAL 57 -1.930 8.285 -2.174
425 HA VAL 57 HA VAL 57 -1.936 9.103 0.663
426 HB VAL 57 HB VAL 57 -3.473 6.746 -0.476
427 1HG1 VAL 57 1HG1 VAL 57 -4.402 6.538 1.794
428 2HG1 VAL 57 2HG1 VAL 57 -3.344 7.840 2.340
429 3HG1 VAL 57 3HG1 VAL 57 -2.652 6.319 1.778
430 1HG2 VAL 57 1HG2 VAL 57 -4.496 9.381 0.591
431 2HG2 VAL 57 2HG2 VAL 57 -5.497 8.000 0.142
432 3HG2 VAL 57 3HG2 VAL 57 -4.549 8.839 -1.087
433 H LEU 58 H LEU 58 -0.605 7.909 2.015
434 HA LEU 58 HA LEU 58 0.976 5.752 0.759
435 1HB LEU 58 2HB LEU 58 2.329 7.671 1.439
436 2HB LEU 58 1HB LEU 58 1.687 7.572 3.069
437 HG LEU 58 HG LEU 58 2.778 5.366 3.359
438 1HD1 LEU 58 1HD1 LEU 58 2.778 4.647 1.028
439 2HD1 LEU 58 2HD1 LEU 58 4.397 4.567 1.722
440 3HD1 LEU 58 3HD1 LEU 58 3.967 5.890 0.636
441 1HD2 LEU 58 1HD2 LEU 58 3.943 7.380 4.084
442 2HD2 LEU 58 2HD2 LEU 58 4.652 7.567 2.481
443 3HD2 LEU 58 3HD2 LEU 58 5.085 6.180 3.481
444 H LEU 59 H LEU 59 -0.024 3.876 1.280
445 HA LEU 59 HA LEU 59 -1.215 3.448 3.873
446 1HB LEU 59 2HB LEU 59 -0.691 1.510 1.612
447 2HB LEU 59 1HB LEU 59 -1.629 1.152 3.052
448 HG LEU 59 HG LEU 59 -2.337 3.170 0.912
449 1HD1 LEU 59 1HD1 LEU 59 -3.604 0.530 1.654
450 2HD1 LEU 59 2HD1 LEU 59 -2.674 0.873 0.193
451 3HD1 LEU 59 3HD1 LEU 59 -4.223 1.673 0.459
452 1HD2 LEU 59 1HD2 LEU 59 -3.830 2.427 3.434
453 2HD2 LEU 59 2HD2 LEU 59 -4.445 3.459 2.142
454 3HD2 LEU 59 3HD2 LEU 59 -3.056 3.976 3.094
455 H ALA 60 H ALA 60 0.079 3.226 5.575
456 HA ALA 60 HA ALA 60 2.525 1.588 5.343
457 1HB ALA 60 1HB ALA 60 1.788 3.658 7.417
458 2HB ALA 60 2HB ALA 60 2.915 3.881 6.079
459 3HB ALA 60 3HB ALA 60 3.293 2.739 7.369
460 H VAL 61 H VAL 61 2.368 -0.420 6.110
461 HA VAL 61 HA VAL 61 0.602 -0.943 8.428
462 HB VAL 61 HB VAL 61 1.088 -2.852 6.121
463 1HG1 VAL 61 1HG1 VAL 61 -0.716 -4.182 7.163
464 2HG1 VAL 61 2HG1 VAL 61 -0.745 -3.052 8.517
465 3HG1 VAL 61 3HG1 VAL 61 0.695 -4.024 8.209
466 1HG2 VAL 61 1HG2 VAL 61 -0.291 -0.998 5.371
467 2HG2 VAL 61 2HG2 VAL 61 -1.357 -1.192 6.761
468 3HG2 VAL 61 3HG2 VAL 61 -1.278 -2.452 5.528
469 H GLU 62 H GLU 62 1.397 -2.316 10.022
470 HA GLU 62 HA GLU 62 4.229 -2.746 10.123
471 1HB GLU 62 2HB GLU 62 2.995 -2.320 12.180
472 2HB GLU 62 1HB GLU 62 2.020 -3.763 11.931
473 1HG GLU 62 2HG GLU 62 4.023 -5.159 12.171
474 2HG GLU 62 1HG GLU 62 4.994 -3.710 12.424
475 H ALA 63 H ALA 63 5.377 -4.433 9.421
476 HA ALA 63 HA ALA 63 4.040 -6.581 8.018
477 1HB ALA 63 1HB ALA 63 6.989 -6.077 8.393
478 2HB ALA 63 2HB ALA 63 6.004 -5.432 7.082
479 3HB ALA 63 3HB ALA 63 6.249 -7.173 7.225
480 H GLU 64 H GLU 64 3.631 -6.697 10.847
481 HA GLU 64 HA GLU 64 5.297 -8.590 12.121
482 1HB GLU 64 2HB GLU 64 3.584 -6.968 13.152
483 2HB GLU 64 1HB GLU 64 2.366 -8.154 12.724
484 1HG GLU 64 2HG GLU 64 4.739 -8.839 14.440
485 2HG GLU 64 1HG GLU 64 3.258 -8.167 15.110
486 HA PRO 65 HA PRO 65 4.419 -12.123 9.514
487 1HB PRO 65 2HB PRO 65 5.167 -13.535 12.045
488 2HB PRO 65 1HB PRO 65 5.732 -13.806 10.390
489 1HG PRO 65 2HG PRO 65 7.242 -12.491 12.159
490 2HG PRO 65 1HG PRO 65 7.195 -12.009 10.453
491 1HD PRO 65 2HD PRO 65 5.951 -10.695 12.818
492 2HD PRO 65 1HD PRO 65 6.558 -9.977 11.319
493 H LEU 66 H LEU 66 2.096 -11.559 9.663
494 HA LEU 66 HA LEU 66 0.248 -12.727 11.362
495 1HB LEU 66 2HB LEU 66 -0.054 -12.649 8.347
496 2HB LEU 66 1HB LEU 66 -1.342 -12.741 9.527
497 HG LEU 66 HG LEU 66 -0.239 -10.393 10.280
498 1HD1 LEU 66 1HD1 LEU 66 1.476 -10.246 8.644
499 2HD1 LEU 66 2HD1 LEU 66 0.219 -9.118 8.150
500 3HD1 LEU 66 3HD1 LEU 66 0.372 -10.679 7.342
501 1HD2 LEU 66 1HD2 LEU 66 -2.243 -10.776 8.049
502 2HD2 LEU 66 2HD2 LEU 66 -2.009 -9.293 8.976
503 3HD2 LEU 66 3HD2 LEU 66 -2.592 -10.751 9.779
504 H GLY 67 H GLY 67 1.527 -14.121 8.363
505 1HA GLY 67 2HA GLY 67 1.880 -16.722 9.530
506 2HA GLY 67 1HA GLY 67 0.517 -16.659 8.419
507 H GLU 68 H GLU 68 1.265 -17.802 6.706
508 HA GLU 68 HA GLU 68 3.918 -17.227 5.609
509 1HB GLU 68 2HB GLU 68 3.139 -19.567 5.905
510 2HB GLU 68 1HB GLU 68 1.841 -19.264 4.761
511 1HG GLU 68 2HG GLU 68 3.572 -18.780 3.029
512 2HG GLU 68 1HG GLU 68 4.802 -19.279 4.193
513 H ASP 69 H ASP 69 1.133 -15.669 5.381
514 HA ASP 69 HA ASP 69 0.739 -15.550 2.519
515 1HB ASP 69 2HB ASP 69 -0.924 -13.707 3.240
516 2HB ASP 69 1HB ASP 69 -1.256 -15.369 3.726
517 H LEU 70 H LEU 70 1.892 -13.258 5.016
518 HA LEU 70 HA LEU 70 2.735 -11.345 3.023
519 1HB LEU 70 2HB LEU 70 1.984 -10.572 5.210
520 2HB LEU 70 1HB LEU 70 3.262 -11.478 5.998
521 HG LEU 70 HG LEU 70 4.955 -10.029 4.961
522 1HD1 LEU 70 1HD1 LEU 70 3.787 -9.481 2.890
523 2HD1 LEU 70 2HD1 LEU 70 4.300 -8.017 3.729
524 3HD1 LEU 70 3HD1 LEU 70 2.611 -8.522 3.791
525 1HD2 LEU 70 1HD2 LEU 70 2.774 -8.491 6.372
526 2HD2 LEU 70 2HD2 LEU 70 4.456 -7.984 6.203
527 3HD2 LEU 70 3HD2 LEU 70 4.059 -9.422 7.142
528 H LYS 71 H LYS 71 4.360 -11.991 1.720
529 HA LYS 71 HA LYS 71 6.736 -13.246 2.959
530 1HB LYS 71 2HB LYS 71 5.548 -14.685 1.349
531 2HB LYS 71 1HB LYS 71 5.745 -13.459 0.103
532 1HG LYS 71 2HG LYS 71 8.244 -13.708 0.421
533 2HG LYS 71 1HG LYS 71 7.887 -15.118 1.420
534 1HD LYS 71 2HD LYS 71 8.388 -15.849 -0.828
535 2HD LYS 71 1HD LYS 71 6.672 -16.117 -0.513
536 1HE LYS 71 2HE LYS 71 6.107 -14.096 -1.743
537 2HE LYS 71 1HE LYS 71 7.816 -13.741 -1.986
538 1HZ LYS 71 1HZ LYS 71 6.302 -16.034 -3.107
539 2HZ LYS 71 2HZ LYS 71 7.977 -15.842 -3.243
540 3HZ LYS 71 3HZ LYS 71 6.939 -14.716 -3.958
541 H TRP 72 H TRP 72 8.394 -11.844 3.162
542 HA TRP 72 HA TRP 72 8.821 -9.599 1.439
543 1HB TRP 72 2HB TRP 72 10.616 -10.989 3.444
544 2HB TRP 72 1HB TRP 72 11.125 -9.578 2.523
545 HD1 TRP 72 HD1 TRP 72 8.746 -10.600 5.357
546 HE1 TRP 72 HE1 TRP 72 8.021 -8.474 6.617
547 HE3 TRP 72 HE3 TRP 72 10.790 -7.084 2.262
548 HZ2 TRP 72 HZ2 TRP 72 8.285 -5.683 6.339
549 HZ3 TRP 72 HZ3 TRP 72 10.511 -4.705 2.833
550 HH2 TRP 72 HH2 TRP 72 9.282 -4.020 4.831
551 H GLU 73 H GLU 73 9.074 -10.063 -0.686
552 HA GLU 73 HA GLU 73 10.625 -12.430 -1.460
553 1HB GLU 73 2HB GLU 73 8.299 -12.158 -2.303
554 2HB GLU 73 1HB GLU 73 8.799 -10.695 -3.139
555 1HG GLU 73 2HG GLU 73 10.426 -12.061 -4.437
556 2HG GLU 73 1HG GLU 73 9.758 -13.502 -3.670
557 H ALA 74 H ALA 74 12.597 -12.266 -2.344
558 HA ALA 74 HA ALA 74 13.586 -9.690 -3.307
559 1HB ALA 74 1HB ALA 74 14.986 -12.362 -3.104
560 2HB ALA 74 2HB ALA 74 15.077 -11.053 -1.926
561 3HB ALA 74 3HB ALA 74 15.744 -10.831 -3.543
562 H SER 75 H SER 75 12.229 -9.450 -5.135
563 HA SER 75 HA SER 75 11.788 -11.410 -7.104
564 1HB SER 75 2HB SER 75 11.660 -8.390 -7.354
565 2HB SER 75 1HB SER 75 11.029 -9.525 -8.546
566 HG SER 75 HG SER 75 9.888 -10.366 -6.458
567 H ARG 76 H ARG 76 13.376 -12.392 -8.159
568 HA ARG 76 HA ARG 76 15.092 -12.803 -9.575
569 1HB ARG 76 2HB ARG 76 13.967 -11.139 -11.025
570 2HB ARG 76 1HB ARG 76 14.917 -9.862 -10.278
571 1HG ARG 76 2HG ARG 76 16.967 -10.836 -11.151
572 2HG ARG 76 1HG ARG 76 16.053 -12.179 -11.843
573 1HD ARG 76 2HD ARG 76 15.862 -9.262 -12.611
574 2HD ARG 76 1HD ARG 76 16.542 -10.571 -13.580
575 HE ARG 76 HE ARG 76 13.843 -11.114 -12.896
576 1HH1 ARG 76 1HH1 ARG 76 15.761 -9.201 -15.036
577 2HH1 ARG 76 2HH1 ARG 76 14.507 -9.107 -16.224
578 1HH2 ARG 76 1HH2 ARG 76 12.262 -10.951 -14.402
579 2HH2 ARG 76 2HH2 ARG 76 12.556 -10.092 -15.874
580 H GLY 77 H GLY 77 16.028 -9.466 -8.705
581 1HA GLY 77 2HA GLY 77 18.601 -10.479 -7.717
582 2HA GLY 77 1HA GLY 77 18.202 -8.801 -8.054
583 H GLY 78 H GLY 78 19.185 -8.322 -5.964
584 1HA GLY 78 2HA GLY 78 17.931 -9.328 -3.550
585 2HA GLY 78 1HA GLY 78 19.208 -8.128 -3.645
586 H ALA 79 H ALA 79 16.009 -8.026 -5.186
587 HA ALA 79 HA ALA 79 15.588 -5.371 -4.039
588 1HB ALA 79 1HB ALA 79 13.775 -5.180 -5.663
589 2HB ALA 79 2HB ALA 79 14.000 -6.866 -6.133
590 3HB ALA 79 3HB ALA 79 15.272 -5.684 -6.445
591 H ARG 80 H ARG 80 14.662 -5.318 -2.078
592 HA ARG 80 HA ARG 80 13.059 -7.473 -1.059
593 1HB ARG 80 2HB ARG 80 13.719 -4.753 0.090
594 2HB ARG 80 1HB ARG 80 12.857 -6.011 0.963
595 1HG ARG 80 2HG ARG 80 14.784 -7.456 0.897
596 2HG ARG 80 1HG ARG 80 15.651 -6.314 -0.132
597 1HD ARG 80 2HD ARG 80 15.721 -4.681 1.637
598 2HD ARG 80 1HD ARG 80 14.675 -5.672 2.655
599 HE ARG 80 HE ARG 80 16.602 -7.337 2.551
600 1HH1 ARG 80 1HH1 ARG 80 17.102 -3.938 2.315
601 2HH1 ARG 80 2HH1 ARG 80 18.643 -4.000 3.090
602 1HH2 ARG 80 1HH2 ARG 80 18.555 -7.407 3.564
603 2HH2 ARG 80 2HH2 ARG 80 19.458 -5.948 3.802
604 H PHE 81 H PHE 81 11.162 -7.598 -2.315
605 HA PHE 81 HA PHE 81 9.272 -5.360 -1.916
606 1HB PHE 81 2HB PHE 81 9.503 -7.302 -4.213
607 2HB PHE 81 1HB PHE 81 8.063 -6.328 -3.944
608 HD1 PHE 81 HD2 PHE 81 8.414 -3.770 -3.763
609 HD2 PHE 81 HD1 PHE 81 11.261 -6.432 -5.487
610 HE1 PHE 81 HE2 PHE 81 9.434 -1.890 -4.979
611 HE2 PHE 81 HE1 PHE 81 12.282 -4.553 -6.703
612 HZ PHE 81 HZ PHE 81 11.367 -2.280 -6.451
613 HA PRO 82 HA PRO 82 7.197 -8.492 0.625
614 1HB PRO 82 2HB PRO 82 5.380 -6.773 1.707
615 2HB PRO 82 1HB PRO 82 7.045 -6.904 2.284
616 1HG PRO 82 2HG PRO 82 5.847 -4.887 0.415
617 2HG PRO 82 1HG PRO 82 6.961 -4.629 1.771
618 1HD PRO 82 2HD PRO 82 7.806 -4.689 -0.797
619 2HD PRO 82 1HD PRO 82 8.809 -5.281 0.544
620 H HIS 83 H HIS 83 5.788 -9.856 -0.286
621 HA HIS 83 HA HIS 83 3.564 -8.772 -1.904
622 1HB HIS 83 2HB HIS 83 5.018 -11.420 -2.167
623 2HB HIS 83 1HB HIS 83 3.583 -10.978 -3.087
624 HD1 HIS 83 HD1 HIS 83 5.961 -11.644 -4.746
625 HD2 HIS 83 HD2 HIS 83 5.329 -7.806 -3.275
626 HE1 HIS 83 HE1 HIS 83 7.219 -10.115 -6.281
627 HE2 HIS 83 HE2 HIS 83 6.966 -7.830 -5.279
628 H LEU 84 H LEU 84 1.622 -8.976 -0.998
629 HA LEU 84 HA LEU 84 1.133 -10.908 1.122
630 1HB LEU 84 2HB LEU 84 -0.321 -8.533 0.039
631 2HB LEU 84 1HB LEU 84 -1.244 -9.746 0.905
632 HG LEU 84 HG LEU 84 1.150 -8.309 2.058
633 1HD1 LEU 84 1HD1 LEU 84 -1.793 -7.786 2.497
634 2HD1 LEU 84 2HD1 LEU 84 -0.668 -6.730 1.640
635 3HD1 LEU 84 3HD1 LEU 84 -0.463 -7.018 3.367
636 1HD2 LEU 84 1HD2 LEU 84 0.747 -10.497 3.057
637 2HD2 LEU 84 2HD2 LEU 84 -0.944 -10.077 3.332
638 3HD2 LEU 84 3HD2 LEU 84 0.330 -9.212 4.191
639 H TYR 85 H TYR 85 0.443 -12.880 0.689
640 HA TYR 85 HA TYR 85 -0.922 -13.552 -1.772
641 1HB TYR 85 2HB TYR 85 -0.109 -15.165 0.656
642 2HB TYR 85 1HB TYR 85 -1.012 -15.862 -0.686
643 HD1 TYR 85 HD2 TYR 85 2.001 -13.636 -0.347
644 HD2 TYR 85 HD1 TYR 85 0.305 -17.116 -2.126
645 HE1 TYR 85 HE2 TYR 85 4.093 -14.023 -1.578
646 HE2 TYR 85 HE1 TYR 85 2.395 -17.507 -3.359
647 HH TYR 85 HH TYR 85 4.320 -16.237 -4.160
648 H ARG 86 H ARG 86 -2.104 -11.838 0.587
649 HA ARG 86 HA ARG 86 -4.764 -13.103 0.458
650 1HB ARG 86 2HB ARG 86 -5.240 -12.582 2.756
651 2HB ARG 86 1HB ARG 86 -3.730 -13.483 2.716
652 1HG ARG 86 2HG ARG 86 -2.443 -11.546 3.163
653 2HG ARG 86 1HG ARG 86 -3.799 -10.472 2.822
654 1HD ARG 86 2HD ARG 86 -3.491 -10.554 5.194
655 2HD ARG 86 1HD ARG 86 -4.972 -11.422 4.804
656 HE ARG 86 HE ARG 86 -2.416 -12.666 5.572
657 1HH1 ARG 86 1HH1 ARG 86 -5.849 -12.814 5.234
658 2HH1 ARG 86 2HH1 ARG 86 -5.979 -14.300 6.108
659 1HH2 ARG 86 1HH2 ARG 86 -2.595 -14.575 6.694
660 2HH2 ARG 86 2HH2 ARG 86 -4.152 -15.295 6.915
661 HA PRO 87 HA PRO 87 -6.160 -8.952 -0.703
662 1HB PRO 87 2HB PRO 87 -8.707 -9.748 0.612
663 2HB PRO 87 1HB PRO 87 -8.422 -9.196 -1.043
664 1HG PRO 87 2HG PRO 87 -8.970 -11.759 -0.539
665 2HG PRO 87 1HG PRO 87 -7.784 -11.307 -1.780
666 1HD PRO 87 2HD PRO 87 -7.315 -12.291 1.020
667 2HD PRO 87 1HD PRO 87 -6.475 -12.731 -0.484
668 H LEU 88 H LEU 88 -6.073 -7.019 0.366
669 HA LEU 88 HA LEU 88 -5.711 -7.153 3.267
670 1HB LEU 88 2HB LEU 88 -3.941 -6.150 1.906
671 2HB LEU 88 1HB LEU 88 -5.072 -4.960 1.289
672 HG LEU 88 HG LEU 88 -5.322 -4.033 3.579
673 1HD1 LEU 88 1HD1 LEU 88 -4.818 -6.018 4.878
674 2HD1 LEU 88 2HD1 LEU 88 -3.738 -4.701 5.328
675 3HD1 LEU 88 3HD1 LEU 88 -3.153 -6.007 4.295
676 1HD2 LEU 88 1HD2 LEU 88 -3.720 -3.043 2.039
677 2HD2 LEU 88 2HD2 LEU 88 -2.479 -4.176 2.574
678 3HD2 LEU 88 3HD2 LEU 88 -3.118 -2.972 3.694
679 H LEU 89 H LEU 89 -7.582 -6.898 4.385
680 HA LEU 89 HA LEU 89 -9.731 -5.197 3.640
681 1HB LEU 89 2HB LEU 89 -8.923 -6.454 6.265
682 2HB LEU 89 1HB LEU 89 -10.317 -5.400 6.146
683 HG LEU 89 HG LEU 89 -10.966 -7.758 6.096
684 1HD1 LEU 89 1HD1 LEU 89 -12.372 -6.167 4.941
685 2HD1 LEU 89 2HD1 LEU 89 -12.358 -7.705 4.079
686 3HD1 LEU 89 3HD1 LEU 89 -11.412 -6.345 3.472
687 1HD2 LEU 89 1HD2 LEU 89 -10.407 -9.192 4.197
688 2HD2 LEU 89 2HD2 LEU 89 -8.959 -8.707 5.078
689 3HD2 LEU 89 3HD2 LEU 89 -9.359 -7.932 3.545
690 H VAL 90 H VAL 90 -10.127 -3.035 4.079
691 HA VAL 90 HA VAL 90 -7.947 -1.342 4.535
692 HB VAL 90 HB VAL 90 -9.536 0.465 4.552
693 1HG1 VAL 90 1HG1 VAL 90 -9.025 -0.519 2.410
694 2HG1 VAL 90 2HG1 VAL 90 -10.706 0.014 2.435
695 3HG1 VAL 90 3HG1 VAL 90 -10.321 -1.698 2.615
696 1HG2 VAL 90 1HG2 VAL 90 -11.698 -1.620 4.829
697 2HG2 VAL 90 2HG2 VAL 90 -11.961 0.103 4.559
698 3HG2 VAL 90 3HG2 VAL 90 -11.221 -0.450 6.060
699 H SER 91 H SER 91 -10.303 -2.694 6.747
700 HA SER 91 HA SER 91 -9.785 -1.093 9.009
701 1HB SER 91 2HB SER 91 -10.621 -4.011 8.946
702 2HB SER 91 1HB SER 91 -10.809 -2.905 10.307
703 HG SER 91 HG SER 91 -12.739 -3.135 9.069
704 H GLU 92 H GLU 92 -7.846 -3.449 7.464
705 HA GLU 92 HA GLU 92 -6.307 -4.115 9.856
706 1HB GLU 92 2HB GLU 92 -6.893 -5.852 8.178
707 2HB GLU 92 1HB GLU 92 -5.916 -5.005 6.988
708 1HG GLU 92 2HG GLU 92 -4.730 -6.915 7.922
709 2HG GLU 92 1HG GLU 92 -3.916 -5.399 8.307
710 H VAL 93 H VAL 93 -6.167 -1.880 7.240
711 HA VAL 93 HA VAL 93 -3.385 -1.476 7.030
712 HB VAL 93 HB VAL 93 -5.580 0.573 6.623
713 1HG1 VAL 93 1HG1 VAL 93 -2.733 0.505 5.607
714 2HG1 VAL 93 2HG1 VAL 93 -3.395 1.623 6.800
715 3HG1 VAL 93 3HG1 VAL 93 -3.958 1.681 5.130
716 1HG2 VAL 93 1HG2 VAL 93 -5.501 -0.060 4.260
717 2HG2 VAL 93 2HG2 VAL 93 -5.952 -1.435 5.268
718 3HG2 VAL 93 3HG2 VAL 93 -4.313 -1.312 4.625
719 H THR 94 H THR 94 -2.022 -0.847 8.574
720 HA THR 94 HA THR 94 -2.694 -0.069 11.140
721 HB THR 94 HB THR 94 -0.096 0.628 9.745
722 HG1 THR 94 HG1 THR 94 -0.652 -1.721 11.266
723 1HG2 THR 94 1HG2 THR 94 -0.346 1.726 11.924
724 2HG2 THR 94 2HG2 THR 94 0.879 0.458 12.000
725 3HG2 THR 94 3HG2 THR 94 -0.726 0.171 12.671
726 H ARG 95 H ARG 95 -1.670 2.084 8.455
727 HA ARG 95 HA ARG 95 -3.462 4.122 9.406
728 1HB ARG 95 2HB ARG 95 -1.460 4.490 10.852
729 2HB ARG 95 1HB ARG 95 -0.510 4.784 9.402
730 1HG ARG 95 2HG ARG 95 -2.019 6.684 8.860
731 2HG ARG 95 1HG ARG 95 -2.840 6.421 10.398
732 1HD ARG 95 2HD ARG 95 -0.689 6.826 11.567
733 2HD ARG 95 1HD ARG 95 0.062 7.176 10.007
734 HE ARG 95 HE ARG 95 -2.230 8.746 10.984
735 1HH1 ARG 95 1HH1 ARG 95 1.044 8.607 9.902
736 2HH1 ARG 95 2HH1 ARG 95 1.169 10.325 9.746
737 1HH2 ARG 95 1HH2 ARG 95 -2.051 10.924 10.791
738 2HH2 ARG 95 2HH2 ARG 95 -0.576 11.623 10.225
739 H GLU 96 H GLU 96 -3.962 5.654 7.880
740 HA GLU 96 HA GLU 96 -2.753 5.340 5.218
741 1HB GLU 96 2HB GLU 96 -4.756 6.571 4.388
742 2HB GLU 96 1HB GLU 96 -5.149 5.060 5.194
743 1HG GLU 96 2HG GLU 96 -5.765 6.323 7.222
744 2HG GLU 96 1HG GLU 96 -5.403 7.827 6.376
745 H ALA 97 H ALA 97 -0.945 6.592 5.256
746 HA ALA 97 HA ALA 97 -0.862 9.137 6.603
747 1HB ALA 97 1HB ALA 97 1.087 7.639 6.559
748 2HB ALA 97 2HB ALA 97 1.465 9.223 5.881
749 3HB ALA 97 3HB ALA 97 1.200 7.846 4.811
750 H ASP 98 H ASP 98 -0.930 11.162 5.741
751 HA ASP 98 HA ASP 98 -2.002 11.500 3.094
752 1HB ASP 98 2HB ASP 98 -1.028 13.603 5.048
753 2HB ASP 98 1HB ASP 98 -2.061 13.876 3.646
754 H LEU 99 H LEU 99 -1.002 12.676 1.342
755 HA LEU 99 HA LEU 99 1.931 12.857 1.479
756 1HB LEU 99 2HB LEU 99 1.298 10.583 0.725
757 2HB LEU 99 1HB LEU 99 0.439 11.289 -0.629
758 HG LEU 99 HG LEU 99 2.526 12.124 -1.571
759 1HD1 LEU 99 1HD1 LEU 99 4.689 11.548 -0.563
760 2HD1 LEU 99 2HD1 LEU 99 3.855 10.874 0.838
761 3HD1 LEU 99 3HD1 LEU 99 3.738 12.599 0.486
762 1HD2 LEU 99 1HD2 LEU 99 1.819 9.868 -2.163
763 2HD2 LEU 99 2HD2 LEU 99 2.691 9.212 -0.777
764 3HD2 LEU 99 3HD2 LEU 99 3.577 9.969 -2.100
765 H ASP 100 H ASP 100 2.780 14.522 0.392
766 HA ASP 100 HA ASP 100 1.134 15.914 -1.634
767 1HB ASP 100 2HB ASP 100 3.012 17.147 0.402
768 2HB ASP 100 1HB ASP 100 2.191 18.033 -0.879
769 H LEU 101 H LEU 101 2.512 17.402 -3.037
770 HA LEU 101 HA LEU 101 4.983 16.012 -3.862
771 1HB LEU 101 2HB LEU 101 3.289 17.957 -5.447
772 2HB LEU 101 1HB LEU 101 4.650 17.030 -6.048
773 HG LEU 101 HG LEU 101 2.023 15.852 -5.109
774 1HD1 LEU 101 1HD1 LEU 101 3.119 16.212 -7.898
775 2HD1 LEU 101 2HD1 LEU 101 1.769 17.098 -7.188
776 3HD1 LEU 101 3HD1 LEU 101 1.632 15.363 -7.472
777 1HD2 LEU 101 1HD2 LEU 101 2.874 13.758 -6.050
778 2HD2 LEU 101 2HD2 LEU 101 3.911 14.338 -4.749
779 3HD2 LEU 101 3HD2 LEU 101 4.407 14.544 -6.428
780 H ASP 102 H ASP 102 6.881 17.234 -4.322
781 HA ASP 102 HA ASP 102 7.018 19.797 -2.898
782 1HB ASP 102 2HB ASP 102 9.385 19.446 -2.797
783 2HB ASP 102 1HB ASP 102 8.622 17.904 -2.416
784 H ALA 103 H ALA 103 9.300 20.853 -4.179
785 HA ALA 103 HA ALA 103 8.165 22.301 -6.320
786 1HB ALA 103 1HB ALA 103 9.940 23.188 -4.872
787 2HB ALA 103 2HB ALA 103 10.366 23.305 -6.580
788 3HB ALA 103 3HB ALA 103 11.081 22.043 -5.577
789 H ASP 104 H ASP 104 9.940 19.286 -6.296
790 HA ASP 104 HA ASP 104 10.345 19.374 -9.192
791 1HB ASP 104 2HB ASP 104 11.116 17.279 -7.145
792 2HB ASP 104 1HB ASP 104 11.502 17.199 -8.862
793 H GLY 105 H GLY 105 7.936 18.415 -7.047
794 1HA GLY 105 2HA GLY 105 5.853 17.520 -7.569
795 2HA GLY 105 1HA GLY 105 6.444 17.142 -9.178
796 H VAL 106 H VAL 106 8.297 16.065 -6.460
797 HA VAL 106 HA VAL 106 7.551 13.284 -7.059
798 HB VAL 106 HB VAL 106 9.920 14.347 -5.486
799 1HG1 VAL 106 1HG1 VAL 106 9.256 12.074 -4.822
800 2HG1 VAL 106 2HG1 VAL 106 10.811 12.078 -5.654
801 3HG1 VAL 106 3HG1 VAL 106 9.357 11.552 -6.505
802 1HG2 VAL 106 1HG2 VAL 106 10.058 14.983 -7.838
803 2HG2 VAL 106 2HG2 VAL 106 9.786 13.311 -8.325
804 3HG2 VAL 106 3HG2 VAL 106 11.259 13.748 -7.459
805 HA PRO 107 HA PRO 107 5.248 13.029 -3.167
806 1HB PRO 107 2HB PRO 107 5.858 10.130 -3.508
807 2HB PRO 107 1HB PRO 107 4.307 10.932 -3.236
808 1HG PRO 107 2HG PRO 107 4.922 9.978 -5.643
809 2HG PRO 107 1HG PRO 107 4.066 11.524 -5.471
810 1HD PRO 107 2HD PRO 107 6.960 11.015 -6.080
811 2HD PRO 107 1HD PRO 107 5.861 12.235 -6.763
812 H GLN 108 H GLN 108 6.505 13.808 -1.536
813 HA GLN 108 HA GLN 108 9.128 12.784 -1.003
814 1HB GLN 108 2HB GLN 108 7.443 14.856 0.408
815 2HB GLN 108 1HB GLN 108 9.090 14.459 0.881
816 1HG GLN 108 2HG GLN 108 8.247 15.512 -1.817
817 2HG GLN 108 1HG GLN 108 8.994 16.460 -0.532
818 1HE2 GLN 108 1HE2 GLN 108 9.882 15.822 -3.292
819 2HE2 GLN 108 2HE2 GLN 108 11.459 15.146 -3.103
820 H LEU 109 H LEU 109 9.171 10.742 -0.232
821 HA LEU 109 HA LEU 109 7.657 10.088 2.201
822 1HB LEU 109 2HB LEU 109 8.990 8.448 0.089
823 2HB LEU 109 1HB LEU 109 8.816 7.759 1.690
824 HG LEU 109 HG LEU 109 6.388 8.016 1.567
825 1HD1 LEU 109 1HD1 LEU 109 6.860 9.088 -1.213
826 2HD1 LEU 109 2HD1 LEU 109 6.284 10.010 0.177
827 3HD1 LEU 109 3HD1 LEU 109 5.291 8.715 -0.494
828 1HD2 LEU 109 1HD2 LEU 109 7.381 5.940 0.780
829 2HD2 LEU 109 2HD2 LEU 109 7.562 6.619 -0.838
830 3HD2 LEU 109 3HD2 LEU 109 5.952 6.344 -0.171
831 H GLY 110 H GLY 110 10.834 10.968 1.214
832 1HA GLY 110 2HA GLY 110 12.533 9.562 2.861
833 2HA GLY 110 1HA GLY 110 12.782 11.240 2.410
834 H ASP 111 H ASP 111 10.742 12.508 3.730
835 HA ASP 111 HA ASP 111 11.622 12.556 6.443
836 1HB ASP 111 2HB ASP 111 9.738 14.216 6.707
837 2HB ASP 111 1HB ASP 111 10.896 14.604 5.436
838 H HIS 112 H HIS 112 8.921 11.013 4.799
839 HA HIS 112 HA HIS 112 7.401 10.392 7.135
840 1HB HIS 112 2HB HIS 112 7.402 9.361 4.306
841 2HB HIS 112 1HB HIS 112 6.404 8.597 5.536
842 HD1 HIS 112 HD1 HIS 112 6.646 12.265 5.887
843 HD2 HIS 112 HD2 HIS 112 4.223 9.513 3.931
844 HE1 HIS 112 HE1 HIS 112 4.571 13.525 5.259
845 HE2 HIS 112 HE2 HIS 112 3.048 11.808 4.233
846 H LEU 113 H LEU 113 10.044 8.762 5.468
847 HA LEU 113 HA LEU 113 9.596 6.197 6.650
848 1HB LEU 113 2HB LEU 113 12.150 7.215 5.407
849 2HB LEU 113 1HB LEU 113 11.691 5.540 5.648
850 HG LEU 113 HG LEU 113 10.511 7.508 3.686
851 1HD1 LEU 113 1HD1 LEU 113 12.570 6.462 2.966
852 2HD1 LEU 113 2HD1 LEU 113 11.210 5.842 2.029
853 3HD1 LEU 113 3HD1 LEU 113 11.912 4.864 3.318
854 1HD2 LEU 113 1HD2 LEU 113 8.646 6.286 4.626
855 2HD2 LEU 113 2HD2 LEU 113 9.489 4.752 4.392
856 3HD2 LEU 113 3HD2 LEU 113 8.974 5.699 2.995
857 H ALA 114 H ALA 114 11.220 5.069 8.021
858 HA ALA 114 HA ALA 114 11.660 6.689 10.386
859 1HB ALA 114 1HB ALA 114 10.570 4.492 10.529
860 2HB ALA 114 2HB ALA 114 12.013 4.591 11.538
861 3HB ALA 114 3HB ALA 114 12.070 3.727 10.000
862 H LEU 115 H LEU 115 13.707 4.799 8.163
863 HA LEU 115 HA LEU 115 16.063 5.095 9.791
864 1HB LEU 115 2HB LEU 115 15.794 4.105 6.948
865 2HB LEU 115 1HB LEU 115 17.223 3.947 7.955
866 HG LEU 115 HG LEU 115 14.545 2.612 8.414
867 1HD1 LEU 115 1HD1 LEU 115 17.235 1.460 7.669
868 2HD1 LEU 115 2HD1 LEU 115 15.839 1.618 6.603
869 3HD1 LEU 115 3HD1 LEU 115 15.765 0.540 7.995
870 1HD2 LEU 115 1HD2 LEU 115 15.612 1.478 10.300
871 2HD2 LEU 115 2HD2 LEU 115 15.582 3.223 10.544
872 3HD2 LEU 115 3HD2 LEU 115 17.078 2.427 10.054
873 H GLU 116 H GLU 116 18.119 5.977 8.908
874 HA GLU 116 HA GLU 116 17.888 8.688 8.170
875 1HB GLU 116 2HB GLU 116 20.303 6.860 8.040
876 2HB GLU 116 1HB GLU 116 20.361 8.607 7.855
877 1HG GLU 116 2HG GLU 116 21.010 8.224 10.063
878 2HG GLU 116 1HG GLU 116 19.329 8.733 10.186
Start of MODEL 4
1 1H MET 1 1H MET 1 7.020 -7.945 14.388
2 2H MET 1 2H MET 1 7.892 -8.202 12.963
3 3H MET 1 3H MET 1 6.577 -7.142 12.968
4 HA MET 1 HA MET 1 7.722 -5.652 14.464
5 1HB MET 1 2HB MET 1 9.992 -7.639 14.171
6 2HB MET 1 1HB MET 1 10.135 -6.064 14.943
7 1HG MET 1 2HG MET 1 9.906 -7.840 16.588
8 2HG MET 1 1HG MET 1 8.528 -6.740 16.647
9 1HE MET 1 1HE MET 1 7.088 -8.452 18.029
10 2HE MET 1 2HE MET 1 8.443 -9.581 18.051
11 3HE MET 1 3HE MET 1 6.843 -10.134 17.561
12 H THR 2 H THR 2 6.982 -5.549 11.824
13 HA THR 2 HA THR 2 9.129 -3.968 10.682
14 HB THR 2 HB THR 2 9.781 -6.109 9.792
15 HG1 THR 2 HG1 THR 2 9.854 -5.498 7.678
16 1HG2 THR 2 1HG2 THR 2 7.666 -7.310 10.006
17 2HG2 THR 2 2HG2 THR 2 8.290 -7.441 8.363
18 3HG2 THR 2 3HG2 THR 2 6.965 -6.332 8.715
19 H LEU 3 H LEU 3 8.431 -3.076 8.453
20 HA LEU 3 HA LEU 3 5.590 -2.264 8.643
21 1HB LEU 3 2HB LEU 3 7.940 -0.512 7.891
22 2HB LEU 3 1HB LEU 3 6.264 -0.006 7.968
23 HG LEU 3 HG LEU 3 7.938 -0.887 10.329
24 1HD1 LEU 3 1HD1 LEU 3 7.807 1.477 11.007
25 2HD1 LEU 3 2HD1 LEU 3 7.011 1.860 9.480
26 3HD1 LEU 3 3HD1 LEU 3 8.672 1.264 9.485
27 1HD2 LEU 3 1HD2 LEU 3 6.043 -0.089 11.680
28 2HD2 LEU 3 2HD2 LEU 3 5.594 -1.444 10.646
29 3HD2 LEU 3 3HD2 LEU 3 5.120 0.197 10.203
30 H ILE 4 H ILE 4 4.428 -2.298 6.795
31 HA ILE 4 HA ILE 4 5.840 -2.580 4.216
32 HB ILE 4 HB ILE 4 3.854 -3.871 3.414
33 1HG1 ILE 4 2HG1 ILE 4 3.143 -3.902 6.366
34 2HG1 ILE 4 1HG1 ILE 4 2.213 -3.136 5.084
35 1HG2 ILE 4 1HG2 ILE 4 5.920 -4.992 4.053
36 2HG2 ILE 4 2HG2 ILE 4 4.521 -5.980 4.471
37 3HG2 ILE 4 3HG2 ILE 4 5.372 -5.083 5.729
38 1HD1 ILE 4 1HD1 ILE 4 2.705 -6.089 5.376
39 2HD1 ILE 4 2HD1 ILE 4 1.761 -5.316 4.103
40 3HD1 ILE 4 3HD1 ILE 4 1.217 -5.233 5.778
41 H TYR 5 H TYR 5 5.046 -1.425 2.456
42 HA TYR 5 HA TYR 5 2.967 0.587 3.065
43 1HB TYR 5 2HB TYR 5 5.559 0.997 1.551
44 2HB TYR 5 1HB TYR 5 4.279 2.196 1.688
45 HD1 TYR 5 HD1 TYR 5 6.791 0.277 3.636
46 HD2 TYR 5 HD2 TYR 5 4.114 3.591 3.606
47 HE1 TYR 5 HE1 TYR 5 7.808 1.116 5.712
48 HE2 TYR 5 HE2 TYR 5 5.128 4.436 5.679
49 HH TYR 5 HH TYR 5 8.046 3.153 6.960
50 H LYS 6 H LYS 6 1.535 1.134 1.468
51 HA LYS 6 HA LYS 6 2.006 0.120 -1.261
52 1HB LYS 6 2HB LYS 6 0.367 -1.392 -0.230
53 2HB LYS 6 1HB LYS 6 -0.647 -0.018 0.199
54 1HG LYS 6 2HG LYS 6 -0.870 0.497 -2.239
55 2HG LYS 6 1HG LYS 6 0.006 -0.995 -2.584
56 1HD LYS 6 2HD LYS 6 -1.751 -2.280 -1.439
57 2HD LYS 6 1HD LYS 6 -2.623 -0.784 -1.100
58 1HE LYS 6 2HE LYS 6 -1.991 -1.859 -3.856
59 2HE LYS 6 1HE LYS 6 -3.547 -1.990 -3.043
60 1HZ LYS 6 1HZ LYS 6 -3.649 0.455 -3.015
61 2HZ LYS 6 2HZ LYS 6 -3.594 -0.167 -4.583
62 3HZ LYS 6 3HZ LYS 6 -2.210 0.522 -3.899
63 H ILE 7 H ILE 7 1.892 1.698 -2.730
64 HA ILE 7 HA ILE 7 0.581 4.232 -2.069
65 HB ILE 7 HB ILE 7 2.227 3.481 -4.502
66 1HG1 ILE 7 2HG1 ILE 7 3.006 5.084 -2.044
67 2HG1 ILE 7 1HG1 ILE 7 3.529 3.439 -2.393
68 1HG2 ILE 7 1HG2 ILE 7 2.336 5.900 -4.924
69 2HG2 ILE 7 2HG2 ILE 7 1.260 6.184 -3.555
70 3HG2 ILE 7 3HG2 ILE 7 0.676 5.306 -4.968
71 1HD1 ILE 7 1HD1 ILE 7 5.260 5.061 -2.921
72 2HD1 ILE 7 2HD1 ILE 7 4.171 5.875 -4.044
73 3HD1 ILE 7 3HD1 ILE 7 4.706 4.227 -4.373
74 H LEU 8 H LEU 8 -1.293 4.916 -2.990
75 HA LEU 8 HA LEU 8 -2.281 3.791 -5.470
76 1HB LEU 8 2HB LEU 8 -4.386 2.972 -4.617
77 2HB LEU 8 1HB LEU 8 -3.069 2.137 -3.820
78 HG LEU 8 HG LEU 8 -4.646 4.406 -2.575
79 1HD1 LEU 8 1HD1 LEU 8 -6.095 2.497 -2.917
80 2HD1 LEU 8 2HD1 LEU 8 -5.703 2.653 -1.206
81 3HD1 LEU 8 3HD1 LEU 8 -4.902 1.423 -2.186
82 1HD2 LEU 8 1HD2 LEU 8 -3.607 3.677 -0.486
83 2HD2 LEU 8 2HD2 LEU 8 -2.389 4.172 -1.661
84 3HD2 LEU 8 3HD2 LEU 8 -2.679 2.458 -1.361
85 H SER 9 H SER 9 -4.540 4.796 -5.974
86 HA SER 9 HA SER 9 -4.329 7.646 -5.580
87 1HB SER 9 2HB SER 9 -6.256 7.824 -7.048
88 2HB SER 9 1HB SER 9 -5.177 6.599 -7.712
89 HG SER 9 HG SER 9 -7.353 5.897 -7.715
90 H ARG 10 H ARG 10 -5.859 9.004 -4.531
91 HA ARG 10 HA ARG 10 -6.818 8.162 -2.049
92 1HB ARG 10 2HB ARG 10 -6.427 10.534 -2.629
93 2HB ARG 10 1HB ARG 10 -7.805 10.495 -3.721
94 1HG ARG 10 2HG ARG 10 -8.496 11.559 -1.697
95 2HG ARG 10 1HG ARG 10 -9.266 9.973 -1.765
96 1HD ARG 10 2HD ARG 10 -7.242 9.183 -0.355
97 2HD ARG 10 1HD ARG 10 -6.991 10.900 -0.034
98 HE ARG 10 HE ARG 10 -9.609 9.710 0.507
99 1HH1 ARG 10 1HH1 ARG 10 -6.686 11.095 1.722
100 2HH1 ARG 10 2HH1 ARG 10 -7.333 11.288 3.314
101 1HH2 ARG 10 1HH2 ARG 10 -10.400 9.932 2.536
102 2HH2 ARG 10 2HH2 ARG 10 -9.415 10.641 3.774
103 H ALA 11 H ALA 11 -8.476 8.359 -5.163
104 HA ALA 11 HA ALA 11 -11.088 7.784 -4.256
105 1HB ALA 11 1HB ALA 11 -11.614 7.327 -6.580
106 2HB ALA 11 2HB ALA 11 -9.899 7.200 -6.973
107 3HB ALA 11 3HB ALA 11 -10.576 8.749 -6.467
108 H GLU 12 H GLU 12 -8.490 5.615 -5.424
109 HA GLU 12 HA GLU 12 -9.953 3.213 -5.346
110 1HB GLU 12 2HB GLU 12 -7.749 3.384 -6.422
111 2HB GLU 12 1HB GLU 12 -6.992 3.649 -4.857
112 1HG GLU 12 2HG GLU 12 -7.671 1.404 -4.146
113 2HG GLU 12 1HG GLU 12 -8.426 1.136 -5.715
114 H TRP 13 H TRP 13 -8.047 4.856 -2.855
115 HA TRP 13 HA TRP 13 -8.206 2.845 -0.894
116 1HB TRP 13 2HB TRP 13 -6.529 4.592 -0.773
117 2HB TRP 13 1HB TRP 13 -7.775 5.826 -0.611
118 HD1 TRP 13 HD1 TRP 13 -7.625 6.712 1.776
119 HE1 TRP 13 HE1 TRP 13 -7.448 5.684 4.124
120 HE3 TRP 13 HE3 TRP 13 -7.216 1.775 0.483
121 HZ2 TRP 13 HZ2 TRP 13 -7.184 3.130 5.282
122 HZ3 TRP 13 HZ3 TRP 13 -7.005 0.104 2.278
123 HH2 TRP 13 HH2 TRP 13 -6.992 0.773 4.628
124 H ASP 14 H ASP 14 -9.981 5.973 -0.901
125 HA ASP 14 HA ASP 14 -11.659 5.304 1.233
126 1HB ASP 14 2HB ASP 14 -11.888 7.356 -0.957
127 2HB ASP 14 1HB ASP 14 -13.120 7.201 0.294
128 H ALA 15 H ALA 15 -12.045 4.605 -2.191
129 HA ALA 15 HA ALA 15 -14.745 3.770 -2.130
130 1HB ALA 15 1HB ALA 15 -14.232 2.540 -4.178
131 2HB ALA 15 2HB ALA 15 -12.504 2.753 -3.886
132 3HB ALA 15 3HB ALA 15 -13.524 4.154 -4.218
133 H ALA 16 H ALA 16 -11.722 1.906 -1.723
134 HA ALA 16 HA ALA 16 -13.044 -0.537 -1.028
135 1HB ALA 16 1HB ALA 16 -10.199 0.305 -0.450
136 2HB ALA 16 2HB ALA 16 -10.753 -0.462 -1.938
137 3HB ALA 16 3HB ALA 16 -10.834 -1.340 -0.411
138 H LYS 17 H LYS 17 -11.953 2.248 0.754
139 HA LYS 17 HA LYS 17 -11.817 1.296 3.361
140 1HB LYS 17 2HB LYS 17 -11.101 3.545 2.590
141 2HB LYS 17 1HB LYS 17 -12.788 4.011 2.435
142 1HG LYS 17 2HG LYS 17 -13.066 3.646 4.877
143 2HG LYS 17 1HG LYS 17 -11.338 3.303 4.987
144 1HD LYS 17 2HD LYS 17 -12.576 5.902 4.040
145 2HD LYS 17 1HD LYS 17 -11.823 5.627 5.611
146 1HE LYS 17 2HE LYS 17 -9.677 5.259 4.567
147 2HE LYS 17 1HE LYS 17 -10.402 5.359 2.962
148 1HZ LYS 17 1HZ LYS 17 -10.394 7.591 4.920
149 2HZ LYS 17 2HZ LYS 17 -10.869 7.663 3.296
150 3HZ LYS 17 3HZ LYS 17 -9.243 7.407 3.694
151 H ALA 18 H ALA 18 -14.626 2.750 1.703
152 HA ALA 18 HA ALA 18 -16.500 2.352 3.764
153 1HB ALA 18 1HB ALA 18 -18.195 2.709 2.045
154 2HB ALA 18 2HB ALA 18 -16.985 2.470 0.783
155 3HB ALA 18 3HB ALA 18 -16.869 3.857 1.867
156 H GLN 19 H GLN 19 -15.432 0.259 1.139
157 HA GLN 19 HA GLN 19 -17.337 -1.824 1.583
158 1HB GLN 19 2HB GLN 19 -14.667 -1.804 0.161
159 2HB GLN 19 1HB GLN 19 -15.752 -3.188 0.176
160 1HG GLN 19 2HG GLN 19 -17.452 -1.909 -0.954
161 2HG GLN 19 1HG GLN 19 -16.446 -0.465 -0.909
162 1HE2 GLN 19 1HE2 GLN 19 -14.667 -0.332 -2.288
163 2HE2 GLN 19 2HE2 GLN 19 -14.475 -1.376 -3.650
164 H GLY 20 H GLY 20 -14.338 -0.961 3.079
165 1HA GLY 20 2HA GLY 20 -13.297 -1.854 4.938
166 2HA GLY 20 1HA GLY 20 -14.567 -3.061 5.030
167 H ARG 21 H ARG 21 -13.662 -3.456 1.983
168 HA ARG 21 HA ARG 21 -11.480 -5.341 2.651
169 1HB ARG 21 2HB ARG 21 -13.355 -6.739 2.375
170 2HB ARG 21 1HB ARG 21 -14.000 -5.776 1.053
171 1HG ARG 21 2HG ARG 21 -12.127 -6.544 -0.377
172 2HG ARG 21 1HG ARG 21 -11.579 -7.573 0.945
173 1HD ARG 21 2HD ARG 21 -13.490 -8.950 0.801
174 2HD ARG 21 1HD ARG 21 -14.357 -7.777 -0.193
175 HE ARG 21 HE ARG 21 -12.668 -8.286 -1.954
176 1HH1 ARG 21 1HH1 ARG 21 -13.390 -10.623 0.475
177 2HH1 ARG 21 2HH1 ARG 21 -12.896 -11.951 -0.515
178 1HH2 ARG 21 1HH2 ARG 21 -12.066 -9.969 -3.209
179 2HH2 ARG 21 2HH2 ARG 21 -12.156 -11.585 -2.594
180 H PHE 22 H PHE 22 -9.800 -5.550 1.176
181 HA PHE 22 HA PHE 22 -10.127 -4.505 -1.529
182 1HB PHE 22 2HB PHE 22 -9.253 -2.600 -0.172
183 2HB PHE 22 1HB PHE 22 -7.839 -3.572 0.230
184 HD1 PHE 22 HD2 PHE 22 -9.738 -2.277 -2.701
185 HD2 PHE 22 HD1 PHE 22 -5.954 -3.442 -1.131
186 HE1 PHE 22 HE2 PHE 22 -8.647 -1.499 -4.764
187 HE2 PHE 22 HE1 PHE 22 -4.861 -2.665 -3.188
188 HZ PHE 22 HZ PHE 22 -6.205 -1.693 -5.008
189 H GLU 23 H GLU 23 -9.588 -6.228 -2.738
190 HA GLU 23 HA GLU 23 -7.472 -8.047 -1.828
191 1HB GLU 23 2HB GLU 23 -8.266 -9.601 -3.544
192 2HB GLU 23 1HB GLU 23 -9.578 -9.098 -2.492
193 1HG GLU 23 2HG GLU 23 -9.085 -7.815 -5.168
194 2HG GLU 23 1HG GLU 23 -10.071 -9.264 -4.979
195 H GLY 24 H GLY 24 -7.668 -5.354 -3.752
196 1HA GLY 24 2HA GLY 24 -5.501 -4.600 -4.656
197 2HA GLY 24 1HA GLY 24 -5.305 -6.213 -5.321
198 H SER 25 H SER 25 -4.891 -4.544 -7.172
199 HA SER 25 HA SER 25 -7.394 -3.898 -8.594
200 1HB SER 25 2HB SER 25 -6.025 -2.502 -10.048
201 2HB SER 25 1HB SER 25 -5.624 -2.123 -8.372
202 HG SER 25 HG SER 25 -3.740 -3.272 -8.559
203 H ALA 26 H ALA 26 -7.021 -4.164 -11.141
204 HA ALA 26 HA ALA 26 -6.984 -6.859 -11.798
205 1HB ALA 26 1HB ALA 26 -6.756 -6.159 -14.133
206 2HB ALA 26 2HB ALA 26 -6.266 -4.548 -13.610
207 3HB ALA 26 3HB ALA 26 -7.898 -5.125 -13.273
208 H VAL 27 H VAL 27 -4.298 -4.655 -11.430
209 HA VAL 27 HA VAL 27 -2.286 -6.263 -12.640
210 HB VAL 27 HB VAL 27 -1.984 -4.197 -10.445
211 1HG1 VAL 27 1HG1 VAL 27 0.342 -4.022 -11.220
212 2HG1 VAL 27 2HG1 VAL 27 0.060 -5.344 -12.354
213 3HG1 VAL 27 3HG1 VAL 27 -0.027 -5.638 -10.617
214 1HG2 VAL 27 1HG2 VAL 27 -1.804 -3.895 -13.450
215 2HG2 VAL 27 2HG2 VAL 27 -1.429 -2.638 -12.269
216 3HG2 VAL 27 3HG2 VAL 27 -3.075 -3.252 -12.408
217 H ASP 28 H ASP 28 -3.187 -5.790 -9.204
218 HA ASP 28 HA ASP 28 -1.430 -7.677 -8.099
219 1HB ASP 28 2HB ASP 28 -4.163 -6.846 -7.078
220 2HB ASP 28 1HB ASP 28 -2.885 -7.597 -6.121
221 H LEU 29 H LEU 29 -4.754 -8.056 -9.283
222 HA LEU 29 HA LEU 29 -5.028 -10.815 -8.707
223 1HB LEU 29 2HB LEU 29 -6.408 -8.928 -10.587
224 2HB LEU 29 1HB LEU 29 -6.744 -10.645 -10.679
225 HG LEU 29 HG LEU 29 -8.437 -9.493 -9.345
226 1HD1 LEU 29 1HD1 LEU 29 -6.678 -11.252 -7.637
227 2HD1 LEU 29 2HD1 LEU 29 -7.880 -11.811 -8.801
228 3HD1 LEU 29 3HD1 LEU 29 -8.390 -10.910 -7.374
229 1HD2 LEU 29 1HD2 LEU 29 -7.126 -7.628 -8.501
230 2HD2 LEU 29 2HD2 LEU 29 -6.162 -8.723 -7.511
231 3HD2 LEU 29 3HD2 LEU 29 -7.879 -8.501 -7.166
232 H ALA 30 H ALA 30 -3.454 -9.115 -11.329
233 HA ALA 30 HA ALA 30 -3.141 -11.367 -13.067
234 1HB ALA 30 1HB ALA 30 -1.509 -8.828 -12.918
235 2HB ALA 30 2HB ALA 30 -2.957 -9.068 -13.894
236 3HB ALA 30 3HB ALA 30 -1.497 -9.993 -14.242
237 H ASP 31 H ASP 31 -0.946 -9.783 -10.724
238 HA ASP 31 HA ASP 31 1.139 -11.685 -10.875
239 1HB ASP 31 2HB ASP 31 0.305 -9.787 -8.670
240 2HB ASP 31 1HB ASP 31 1.745 -10.793 -8.570
241 H GLY 32 H GLY 32 -1.857 -11.621 -9.062
242 1HA GLY 32 2HA GLY 32 -2.926 -13.494 -8.103
243 2HA GLY 32 1HA GLY 32 -1.400 -14.366 -8.132
244 H PHE 33 H PHE 33 -1.080 -11.216 -6.975
245 HA PHE 33 HA PHE 33 -1.720 -11.656 -4.229
246 1HB PHE 33 2HB PHE 33 0.608 -11.596 -3.359
247 2HB PHE 33 1HB PHE 33 0.262 -13.056 -4.273
248 HD1 PHE 33 HD2 PHE 33 2.035 -9.812 -4.369
249 HD2 PHE 33 HD1 PHE 33 1.481 -13.597 -6.247
250 HE1 PHE 33 HE2 PHE 33 4.016 -9.407 -5.767
251 HE2 PHE 33 HE1 PHE 33 3.463 -13.194 -7.648
252 HZ PHE 33 HZ PHE 33 4.732 -11.097 -7.409
253 H ILE 34 H ILE 34 -1.564 -9.770 -2.992
254 HA ILE 34 HA ILE 34 -1.542 -7.298 -4.357
255 HB ILE 34 HB ILE 34 -1.200 -7.777 -1.383
256 1HG1 ILE 34 2HG1 ILE 34 -3.715 -7.326 -3.023
257 2HG1 ILE 34 1HG1 ILE 34 -3.238 -8.846 -2.273
258 1HG2 ILE 34 1HG2 ILE 34 -2.156 -5.319 -2.864
259 2HG2 ILE 34 2HG2 ILE 34 -0.577 -5.504 -2.101
260 3HG2 ILE 34 3HG2 ILE 34 -2.037 -5.499 -1.113
261 1HD1 ILE 34 1HD1 ILE 34 -4.959 -7.732 -0.981
262 2HD1 ILE 34 2HD1 ILE 34 -3.940 -6.302 -0.820
263 3HD1 ILE 34 3HD1 ILE 34 -3.454 -7.821 -0.067
264 H HIS 35 H HIS 35 0.220 -6.470 -5.288
265 HA HIS 35 HA HIS 35 2.875 -7.150 -4.432
266 1HB HIS 35 2HB HIS 35 3.552 -5.495 -6.263
267 2HB HIS 35 1HB HIS 35 2.644 -6.917 -6.762
268 HD1 HIS 35 HD1 HIS 35 1.966 -3.273 -5.930
269 HD2 HIS 35 HD2 HIS 35 0.477 -6.347 -8.287
270 HE1 HIS 35 HE1 HIS 35 0.115 -2.244 -7.275
271 HE2 HIS 35 HE2 HIS 35 -0.962 -4.200 -8.423
272 H LEU 36 H LEU 36 3.039 -6.375 -2.324
273 HA LEU 36 HA LEU 36 2.820 -3.538 -1.765
274 1HB LEU 36 2HB LEU 36 3.839 -5.812 -0.050
275 2HB LEU 36 1HB LEU 36 3.526 -4.178 0.506
276 HG LEU 36 HG LEU 36 1.415 -6.052 -0.578
277 1HD1 LEU 36 1HD1 LEU 36 0.667 -6.248 1.746
278 2HD1 LEU 36 2HD1 LEU 36 2.051 -5.289 2.272
279 3HD1 LEU 36 3HD1 LEU 36 2.303 -6.873 1.537
280 1HD2 LEU 36 1HD2 LEU 36 1.170 -3.371 0.798
281 2HD2 LEU 36 2HD2 LEU 36 -0.170 -4.406 0.303
282 3HD2 LEU 36 3HD2 LEU 36 0.882 -3.685 -0.914
283 H SER 37 H SER 37 4.721 -2.550 -0.462
284 HA SER 37 HA SER 37 7.367 -3.433 -1.338
285 1HB SER 37 2HB SER 37 6.297 -0.665 -1.980
286 2HB SER 37 1HB SER 37 7.978 -1.162 -2.163
287 HG SER 37 HG SER 37 6.353 -2.915 -3.403
288 H ALA 38 H ALA 38 9.014 -2.839 0.050
289 HA ALA 38 HA ALA 38 8.332 -1.768 2.628
290 1HB ALA 38 1HB ALA 38 11.045 -2.335 1.415
291 2HB ALA 38 2HB ALA 38 10.089 -3.451 2.391
292 3HB ALA 38 3HB ALA 38 10.733 -1.977 3.115
293 H GLY 39 H GLY 39 9.524 0.154 3.570
294 1HA GLY 39 2HA GLY 39 8.833 2.516 2.375
295 2HA GLY 39 1HA GLY 39 10.143 2.386 3.534
296 H GLU 40 H GLU 40 12.077 1.071 2.179
297 HA GLU 40 HA GLU 40 13.371 2.903 0.581
298 1HB GLU 40 2HB GLU 40 14.708 0.881 -0.222
299 2HB GLU 40 1HB GLU 40 14.628 1.130 1.517
300 1HG GLU 40 2HG GLU 40 12.872 -0.567 1.688
301 2HG GLU 40 1HG GLU 40 12.938 -0.816 -0.052
302 H GLN 41 H GLN 41 11.459 0.110 -0.543
303 HA GLN 41 HA GLN 41 11.904 0.656 -3.322
304 1HB GLN 41 2HB GLN 41 9.868 -1.169 -2.019
305 2HB GLN 41 1HB GLN 41 10.377 -1.211 -3.702
306 1HG GLN 41 2HG GLN 41 12.183 -2.439 -3.239
307 2HG GLN 41 1HG GLN 41 12.620 -1.440 -1.854
308 1HE2 GLN 41 1HE2 GLN 41 13.150 -3.183 -0.570
309 2HE2 GLN 41 2HE2 GLN 41 11.962 -4.271 0.059
310 H ALA 42 H ALA 42 9.387 1.376 -0.999
311 HA ALA 42 HA ALA 42 7.319 2.115 -2.755
312 1HB ALA 42 1HB ALA 42 6.991 1.677 -0.354
313 2HB ALA 42 2HB ALA 42 6.322 3.235 -0.842
314 3HB ALA 42 3HB ALA 42 7.857 3.166 0.027
315 H GLN 43 H GLN 43 9.808 4.112 -1.129
316 HA GLN 43 HA GLN 43 8.958 6.538 -2.329
317 1HB GLN 43 2HB GLN 43 10.350 6.360 -0.240
318 2HB GLN 43 1HB GLN 43 11.728 5.959 -1.260
319 1HG GLN 43 2HG GLN 43 11.584 8.107 -2.364
320 2HG GLN 43 1HG GLN 43 10.120 8.503 -1.468
321 1HE2 GLN 43 1HE2 GLN 43 10.975 10.326 -0.542
322 2HE2 GLN 43 2HE2 GLN 43 12.219 10.284 0.657
323 H GLU 44 H GLU 44 11.524 4.203 -3.239
324 HA GLU 44 HA GLU 44 12.491 5.602 -5.467
325 1HB GLU 44 2HB GLU 44 12.303 2.637 -4.938
326 2HB GLU 44 1HB GLU 44 13.019 3.279 -6.409
327 1HG GLU 44 2HG GLU 44 14.521 4.650 -4.815
328 2HG GLU 44 1HG GLU 44 13.996 3.497 -3.588
329 H THR 45 H THR 45 9.910 3.122 -5.390
330 HA THR 45 HA THR 45 9.076 3.327 -8.047
331 HB THR 45 HB THR 45 7.290 2.818 -5.644
332 HG1 THR 45 HG1 THR 45 8.491 1.077 -5.504
333 1HG2 THR 45 1HG2 THR 45 5.885 1.582 -7.254
334 2HG2 THR 45 2HG2 THR 45 6.945 2.097 -8.566
335 3HG2 THR 45 3HG2 THR 45 6.003 3.291 -7.672
336 H ALA 46 H ALA 46 8.179 5.261 -5.232
337 HA ALA 46 HA ALA 46 6.258 6.893 -6.525
338 1HB ALA 46 1HB ALA 46 6.392 6.679 -4.094
339 2HB ALA 46 2HB ALA 46 6.504 8.367 -4.592
340 3HB ALA 46 3HB ALA 46 7.957 7.494 -4.101
341 H ALA 47 H ALA 47 9.757 7.007 -6.398
342 HA ALA 47 HA ALA 47 9.916 9.717 -7.404
343 1HB ALA 47 1HB ALA 47 12.330 9.351 -7.430
344 2HB ALA 47 2HB ALA 47 12.080 7.641 -7.071
345 3HB ALA 47 3HB ALA 47 11.624 8.868 -5.889
346 H LYS 48 H LYS 48 10.388 6.457 -8.765
347 HA LYS 48 HA LYS 48 11.097 7.446 -11.365
348 1HB LYS 48 2HB LYS 48 10.510 4.722 -10.236
349 2HB LYS 48 1HB LYS 48 10.668 4.954 -11.963
350 1HG LYS 48 2HG LYS 48 12.779 4.241 -11.285
351 2HG LYS 48 1HG LYS 48 12.953 5.986 -11.452
352 1HD LYS 48 2HD LYS 48 12.742 6.262 -9.041
353 2HD LYS 48 1HD LYS 48 12.472 4.527 -8.846
354 1HE LYS 48 2HE LYS 48 14.724 4.136 -9.852
355 2HE LYS 48 1HE LYS 48 14.982 5.879 -9.835
356 1HZ LYS 48 1HZ LYS 48 14.589 4.112 -7.484
357 2HZ LYS 48 2HZ LYS 48 14.642 5.798 -7.399
358 3HZ LYS 48 3HZ LYS 48 15.999 4.938 -7.919
359 H TRP 49 H TRP 49 8.147 6.156 -9.877
360 HA TRP 49 HA TRP 49 6.752 6.358 -12.463
361 1HB TRP 49 2HB TRP 49 5.964 4.814 -9.982
362 2HB TRP 49 1HB TRP 49 5.106 4.801 -11.519
363 HD1 TRP 49 HD1 TRP 49 8.321 3.498 -9.878
364 HE1 TRP 49 HE1 TRP 49 9.275 1.598 -11.332
365 HE3 TRP 49 HE3 TRP 49 5.174 3.887 -13.893
366 HZ2 TRP 49 HZ2 TRP 49 8.758 0.422 -13.838
367 HZ3 TRP 49 HZ3 TRP 49 5.474 2.331 -15.777
368 HH2 TRP 49 HH2 TRP 49 7.230 0.635 -15.748
369 H PHE 50 H PHE 50 6.049 6.952 -8.988
370 HA PHE 50 HA PHE 50 3.632 8.408 -9.764
371 1HB PHE 50 2HB PHE 50 4.646 7.546 -7.047
372 2HB PHE 50 1HB PHE 50 3.102 8.336 -7.342
373 HD1 PHE 50 HD2 PHE 50 1.389 7.167 -8.771
374 HD2 PHE 50 HD1 PHE 50 4.885 5.211 -7.312
375 HE1 PHE 50 HE2 PHE 50 0.334 4.982 -9.173
376 HE2 PHE 50 HE1 PHE 50 3.830 3.025 -7.714
377 HZ PHE 50 HZ PHE 50 1.551 2.909 -8.644
378 H ARG 51 H ARG 51 6.576 9.474 -9.767
379 HA ARG 51 HA ARG 51 6.728 11.531 -7.835
380 1HB ARG 51 2HB ARG 51 8.718 10.666 -8.870
381 2HB ARG 51 1HB ARG 51 8.156 11.135 -10.466
382 1HG ARG 51 2HG ARG 51 8.394 13.477 -9.910
383 2HG ARG 51 1HG ARG 51 8.838 13.065 -8.251
384 1HD ARG 51 2HD ARG 51 10.756 13.630 -9.811
385 2HD ARG 51 1HD ARG 51 10.892 12.105 -8.935
386 HE ARG 51 HE ARG 51 9.914 11.146 -11.120
387 1HH1 ARG 51 1HH1 ARG 51 12.166 13.742 -10.907
388 2HH1 ARG 51 2HH1 ARG 51 12.833 13.427 -12.470
389 1HH2 ARG 51 1HH2 ARG 51 10.787 10.749 -13.110
390 2HH2 ARG 51 2HH2 ARG 51 12.050 11.760 -13.712
391 H GLY 52 H GLY 52 5.611 13.352 -7.707
392 1HA GLY 52 2HA GLY 52 4.959 15.485 -8.490
393 2HA GLY 52 1HA GLY 52 5.029 14.888 -10.137
394 H GLN 53 H GLN 53 3.361 12.597 -8.434
395 HA GLN 53 HA GLN 53 0.807 13.623 -9.431
396 1HB GLN 53 2HB GLN 53 1.456 10.894 -8.290
397 2HB GLN 53 1HB GLN 53 -0.010 11.349 -9.151
398 1HG GLN 53 2HG GLN 53 1.337 11.780 -11.174
399 2HG GLN 53 1HG GLN 53 2.777 11.257 -10.304
400 1HE2 GLN 53 1HE2 GLN 53 3.191 9.549 -11.683
401 2HE2 GLN 53 2HE2 GLN 53 2.200 8.139 -11.744
402 H ALA 54 H ALA 54 -0.525 14.690 -8.099
403 HA ALA 54 HA ALA 54 -0.100 14.526 -5.204
404 1HB ALA 54 1HB ALA 54 -1.365 16.613 -5.098
405 2HB ALA 54 2HB ALA 54 -1.712 16.502 -6.824
406 3HB ALA 54 3HB ALA 54 -0.054 16.730 -6.272
407 H ASN 55 H ASN 55 -1.472 12.297 -6.324
408 HA ASN 55 HA ASN 55 -4.064 12.563 -4.961
409 1HB ASN 55 2HB ASN 55 -3.598 11.067 -7.557
410 2HB ASN 55 1HB ASN 55 -5.099 11.058 -6.638
411 1HD2 ASN 55 1HD2 ASN 55 -3.040 12.887 -8.727
412 2HD2 ASN 55 2HD2 ASN 55 -4.160 14.158 -9.046
413 H LEU 56 H LEU 56 -1.334 11.404 -4.292
414 HA LEU 56 HA LEU 56 -1.834 8.516 -4.307
415 1HB LEU 56 2HB LEU 56 0.664 9.881 -3.315
416 2HB LEU 56 1HB LEU 56 0.483 8.241 -3.908
417 HG LEU 56 HG LEU 56 0.322 10.744 -5.595
418 1HD1 LEU 56 1HD1 LEU 56 2.465 9.991 -6.514
419 2HD1 LEU 56 2HD1 LEU 56 2.500 8.675 -5.338
420 3HD1 LEU 56 3HD1 LEU 56 2.570 10.351 -4.790
421 1HD2 LEU 56 1HD2 LEU 56 0.318 9.239 -7.503
422 2HD2 LEU 56 2HD2 LEU 56 -1.077 8.934 -6.472
423 3HD2 LEU 56 3HD2 LEU 56 0.306 7.839 -6.427
424 H VAL 57 H VAL 57 -2.658 7.551 -2.549
425 HA VAL 57 HA VAL 57 -2.143 8.652 0.121
426 HB VAL 57 HB VAL 57 -3.926 6.341 -0.718
427 1HG1 VAL 57 1HG1 VAL 57 -4.790 6.418 1.583
428 2HG1 VAL 57 2HG1 VAL 57 -3.603 7.657 1.989
429 3HG1 VAL 57 3HG1 VAL 57 -3.068 6.034 1.555
430 1HG2 VAL 57 1HG2 VAL 57 -4.606 9.162 0.133
431 2HG2 VAL 57 2HG2 VAL 57 -5.775 7.872 -0.159
432 3HG2 VAL 57 3HG2 VAL 57 -4.786 8.483 -1.486
433 H LEU 58 H LEU 58 -0.633 7.781 1.425
434 HA LEU 58 HA LEU 58 0.723 5.322 0.582
435 1HB LEU 58 2HB LEU 58 2.101 7.315 1.055
436 2HB LEU 58 1HB LEU 58 1.491 7.341 2.699
437 HG LEU 58 HG LEU 58 2.536 5.108 3.081
438 1HD1 LEU 58 1HD1 LEU 58 2.577 4.306 0.781
439 2HD1 LEU 58 2HD1 LEU 58 4.197 4.285 1.475
440 3HD1 LEU 58 3HD1 LEU 58 3.739 5.561 0.346
441 1HD2 LEU 58 1HD2 LEU 58 4.838 5.938 3.221
442 2HD2 LEU 58 2HD2 LEU 58 3.678 7.149 3.767
443 3HD2 LEU 58 3HD2 LEU 58 4.415 7.291 2.170
444 H LEU 59 H LEU 59 -0.234 3.533 1.363
445 HA LEU 59 HA LEU 59 -1.477 3.480 3.968
446 1HB LEU 59 2HB LEU 59 -0.881 1.216 2.060
447 2HB LEU 59 1HB LEU 59 -1.859 1.099 3.512
448 HG LEU 59 HG LEU 59 -2.511 2.703 1.035
449 1HD1 LEU 59 1HD1 LEU 59 -3.847 0.274 2.236
450 2HD1 LEU 59 2HD1 LEU 59 -2.844 0.291 0.785
451 3HD1 LEU 59 3HD1 LEU 59 -4.381 1.155 0.804
452 1HD2 LEU 59 1HD2 LEU 59 -4.086 2.431 3.600
453 2HD2 LEU 59 2HD2 LEU 59 -4.612 3.271 2.141
454 3HD2 LEU 59 3HD2 LEU 59 -3.237 3.880 3.060
455 H ALA 60 H ALA 60 -0.147 3.638 5.636
456 HA ALA 60 HA ALA 60 2.361 2.119 5.712
457 1HB ALA 60 1HB ALA 60 1.273 4.138 7.685
458 2HB ALA 60 2HB ALA 60 2.422 4.485 6.392
459 3HB ALA 60 3HB ALA 60 2.881 3.411 7.713
460 H VAL 61 H VAL 61 1.745 0.018 6.047
461 HA VAL 61 HA VAL 61 0.039 -0.559 8.396
462 HB VAL 61 HB VAL 61 0.560 -2.385 6.034
463 1HG1 VAL 61 1HG1 VAL 61 -1.374 -3.634 6.879
464 2HG1 VAL 61 2HG1 VAL 61 -1.507 -2.515 8.236
465 3HG1 VAL 61 3HG1 VAL 61 -0.086 -3.548 8.080
466 1HG2 VAL 61 1HG2 VAL 61 -0.619 -0.393 5.258
467 2HG2 VAL 61 2HG2 VAL 61 -1.826 -0.595 6.528
468 3HG2 VAL 61 3HG2 VAL 61 -1.688 -1.795 5.242
469 H GLU 62 H GLU 62 0.852 -1.846 10.014
470 HA GLU 62 HA GLU 62 3.596 -2.773 9.819
471 1HB GLU 62 2HB GLU 62 1.565 -3.158 12.035
472 2HB GLU 62 1HB GLU 62 3.274 -3.559 12.135
473 1HG GLU 62 2HG GLU 62 3.780 -1.140 11.745
474 2HG GLU 62 1HG GLU 62 2.052 -0.818 11.883
475 H ALA 63 H ALA 63 4.231 -5.010 10.104
476 HA ALA 63 HA ALA 63 2.514 -6.883 8.749
477 1HB ALA 63 1HB ALA 63 5.141 -7.373 10.157
478 2HB ALA 63 2HB ALA 63 4.952 -6.928 8.460
479 3HB ALA 63 3HB ALA 63 4.333 -8.474 9.039
480 H GLU 64 H GLU 64 2.733 -5.855 11.945
481 HA GLU 64 HA GLU 64 2.367 -8.262 13.372
482 1HB GLU 64 2HB GLU 64 1.216 -5.706 14.431
483 2HB GLU 64 1HB GLU 64 2.074 -6.979 15.283
484 1HG GLU 64 2HG GLU 64 3.202 -4.762 13.600
485 2HG GLU 64 1HG GLU 64 3.512 -5.122 15.295
486 HA PRO 65 HA PRO 65 -2.489 -7.014 13.266
487 1HB PRO 65 2HB PRO 65 -2.318 -5.917 10.479
488 2HB PRO 65 1HB PRO 65 -3.433 -5.498 11.787
489 1HG PRO 65 2HG PRO 65 -1.397 -3.901 11.209
490 2HG PRO 65 1HG PRO 65 -1.847 -4.206 12.898
491 1HD PRO 65 2HD PRO 65 0.451 -5.282 11.324
492 2HD PRO 65 1HD PRO 65 0.362 -4.854 13.044
493 H LEU 66 H LEU 66 -1.049 -7.645 10.037
494 HA LEU 66 HA LEU 66 -3.015 -9.700 9.521
495 1HB LEU 66 2HB LEU 66 -1.821 -9.874 7.308
496 2HB LEU 66 1HB LEU 66 -2.550 -8.327 7.686
497 HG LEU 66 HG LEU 66 -0.195 -7.600 8.452
498 1HD1 LEU 66 1HD1 LEU 66 1.666 -8.758 7.343
499 2HD1 LEU 66 2HD1 LEU 66 0.555 -10.025 6.821
500 3HD1 LEU 66 3HD1 LEU 66 0.863 -9.775 8.539
501 1HD2 LEU 66 1HD2 LEU 66 0.423 -6.963 6.188
502 2HD2 LEU 66 2HD2 LEU 66 -1.312 -6.776 6.434
503 3HD2 LEU 66 3HD2 LEU 66 -0.695 -8.156 5.526
504 H GLY 67 H GLY 67 -0.184 -9.775 11.199
505 1HA GLY 67 2HA GLY 67 0.836 -11.594 12.182
506 2HA GLY 67 1HA GLY 67 -0.237 -12.641 11.270
507 H GLU 68 H GLU 68 1.530 -14.082 10.901
508 HA GLU 68 HA GLU 68 3.790 -13.097 9.361
509 1HB GLU 68 2HB GLU 68 4.721 -15.311 9.810
510 2HB GLU 68 1HB GLU 68 4.225 -14.507 11.283
511 1HG GLU 68 2HG GLU 68 2.121 -15.854 11.208
512 2HG GLU 68 1HG GLU 68 2.809 -16.746 9.850
513 H ASP 69 H ASP 69 0.845 -13.809 8.355
514 HA ASP 69 HA ASP 69 1.219 -15.771 6.342
515 1HB ASP 69 2HB ASP 69 -0.726 -13.448 6.415
516 2HB ASP 69 1HB ASP 69 -0.829 -14.829 5.326
517 H LEU 70 H LEU 70 2.318 -12.555 6.611
518 HA LEU 70 HA LEU 70 2.555 -11.888 3.845
519 1HB LEU 70 2HB LEU 70 2.507 -10.174 5.570
520 2HB LEU 70 1HB LEU 70 3.969 -10.819 6.291
521 HG LEU 70 HG LEU 70 5.196 -10.221 4.181
522 1HD1 LEU 70 1HD1 LEU 70 4.180 -8.649 2.635
523 2HD1 LEU 70 2HD1 LEU 70 2.651 -8.747 3.509
524 3HD1 LEU 70 3HD1 LEU 70 3.278 -10.164 2.665
525 1HD2 LEU 70 1HD2 LEU 70 3.844 -7.962 5.662
526 2HD2 LEU 70 2HD2 LEU 70 5.304 -7.821 4.680
527 3HD2 LEU 70 3HD2 LEU 70 5.321 -8.799 6.146
528 H LYS 71 H LYS 71 4.018 -12.582 2.397
529 HA LYS 71 HA LYS 71 6.399 -14.020 3.364
530 1HB LYS 71 2HB LYS 71 4.939 -15.269 1.841
531 2HB LYS 71 1HB LYS 71 5.099 -14.006 0.629
532 1HG LYS 71 2HG LYS 71 6.514 -15.889 0.065
533 2HG LYS 71 1HG LYS 71 7.512 -14.489 0.463
534 1HD LYS 71 2HD LYS 71 7.865 -15.393 2.723
535 2HD LYS 71 1HD LYS 71 6.881 -16.799 2.312
536 1HE LYS 71 2HE LYS 71 9.221 -17.370 2.134
537 2HE LYS 71 1HE LYS 71 8.503 -17.363 0.527
538 1HZ LYS 71 1HZ LYS 71 10.051 -15.102 1.673
539 2HZ LYS 71 2HZ LYS 71 9.484 -15.243 0.083
540 3HZ LYS 71 3HZ LYS 71 10.696 -16.278 0.642
541 H TRP 72 H TRP 72 8.295 -12.986 3.332
542 HA TRP 72 HA TRP 72 8.684 -10.621 1.668
543 1HB TRP 72 2HB TRP 72 10.385 -11.934 3.803
544 2HB TRP 72 1HB TRP 72 10.915 -10.533 2.874
545 HD1 TRP 72 HD1 TRP 72 8.341 -11.539 5.558
546 HE1 TRP 72 HE1 TRP 72 7.514 -9.401 6.734
547 HE3 TRP 72 HE3 TRP 72 10.618 -8.050 2.591
548 HZ2 TRP 72 HZ2 TRP 72 7.792 -6.600 6.433
549 HZ3 TRP 72 HZ3 TRP 72 10.287 -5.665 3.100
550 HH2 TRP 72 HH2 TRP 72 8.903 -4.956 4.981
551 H GLU 73 H GLU 73 9.857 -10.557 -0.171
552 HA GLU 73 HA GLU 73 11.544 -12.859 -0.891
553 1HB GLU 73 2HB GLU 73 9.366 -13.266 -1.905
554 2HB GLU 73 1HB GLU 73 9.371 -11.665 -2.630
555 1HG GLU 73 2HG GLU 73 11.197 -12.268 -4.082
556 2HG GLU 73 1HG GLU 73 11.379 -13.821 -3.268
557 H ALA 74 H ALA 74 13.487 -11.831 -0.878
558 HA ALA 74 HA ALA 74 13.876 -9.285 -2.201
559 1HB ALA 74 1HB ALA 74 16.208 -9.512 -1.579
560 2HB ALA 74 2HB ALA 74 15.945 -11.189 -1.101
561 3HB ALA 74 3HB ALA 74 15.179 -9.884 -0.195
562 H SER 75 H SER 75 13.065 -9.955 -4.299
563 HA SER 75 HA SER 75 14.316 -11.968 -5.865
564 1HB SER 75 2HB SER 75 12.696 -9.562 -6.750
565 2HB SER 75 1HB SER 75 13.143 -10.916 -7.788
566 HG SER 75 HG SER 75 11.026 -10.734 -6.263
567 H ARG 76 H ARG 76 15.247 -8.743 -5.122
568 HA ARG 76 HA ARG 76 17.463 -8.916 -7.065
569 1HB ARG 76 2HB ARG 76 15.962 -6.395 -6.301
570 2HB ARG 76 1HB ARG 76 17.336 -6.484 -7.397
571 1HG ARG 76 2HG ARG 76 16.020 -7.845 -8.947
572 2HG ARG 76 1HG ARG 76 14.647 -7.783 -7.842
573 1HD ARG 76 2HD ARG 76 14.624 -5.314 -8.082
574 2HD ARG 76 1HD ARG 76 15.916 -5.448 -9.276
575 HE ARG 76 HE ARG 76 13.674 -7.068 -9.954
576 1HH1 ARG 76 1HH1 ARG 76 14.902 -3.849 -10.088
577 2HH1 ARG 76 2HH1 ARG 76 13.858 -3.397 -11.392
578 1HH2 ARG 76 1HH2 ARG 76 12.335 -6.464 -11.612
579 2HH2 ARG 76 2HH2 ARG 76 12.412 -4.850 -12.230
580 H GLY 77 H GLY 77 19.471 -8.197 -6.345
581 1HA GLY 77 2HA GLY 77 20.152 -8.656 -3.709
582 2HA GLY 77 1HA GLY 77 21.139 -7.741 -4.835
583 H GLY 78 H GLY 78 19.218 -7.601 -2.017
584 1HA GLY 78 2HA GLY 78 19.545 -5.789 -0.468
585 2HA GLY 78 1HA GLY 78 19.726 -4.696 -1.829
586 H ALA 79 H ALA 79 17.341 -5.858 -3.188
587 HA ALA 79 HA ALA 79 15.385 -4.181 -1.807
588 1HB ALA 79 1HB ALA 79 14.115 -4.269 -3.880
589 2HB ALA 79 2HB ALA 79 15.241 -5.455 -4.542
590 3HB ALA 79 3HB ALA 79 15.789 -3.814 -4.199
591 H ARG 80 H ARG 80 14.467 -5.311 -0.171
592 HA ARG 80 HA ARG 80 13.567 -8.065 -0.567
593 1HB ARG 80 2HB ARG 80 13.565 -6.274 1.879
594 2HB ARG 80 1HB ARG 80 13.054 -7.958 1.873
595 1HG ARG 80 2HG ARG 80 15.283 -8.678 1.258
596 2HG ARG 80 1HG ARG 80 15.817 -7.003 1.121
597 1HD ARG 80 2HD ARG 80 14.752 -8.180 3.682
598 2HD ARG 80 1HD ARG 80 16.457 -8.226 3.245
599 HE ARG 80 HE ARG 80 14.968 -5.695 3.548
600 1HH1 ARG 80 1HH1 ARG 80 17.751 -7.654 4.120
601 2HH1 ARG 80 2HH1 ARG 80 18.588 -6.399 4.963
602 1HH2 ARG 80 1HH2 ARG 80 16.071 -4.105 4.633
603 2HH2 ARG 80 2HH2 ARG 80 17.652 -4.430 5.254
604 H PHE 81 H PHE 81 11.678 -8.199 -1.698
605 HA PHE 81 HA PHE 81 9.635 -6.133 -1.395
606 1HB PHE 81 2HB PHE 81 9.778 -8.490 -3.292
607 2HB PHE 81 1HB PHE 81 8.567 -7.214 -3.340
608 HD1 PHE 81 HD2 PHE 81 9.309 -4.856 -3.841
609 HD2 PHE 81 HD1 PHE 81 11.867 -8.224 -4.360
610 HE1 PHE 81 HE2 PHE 81 10.755 -3.529 -5.327
611 HE2 PHE 81 HE1 PHE 81 13.314 -6.901 -5.845
612 HZ PHE 81 HZ PHE 81 12.757 -4.550 -6.330
613 HA PRO 82 HA PRO 82 7.229 -8.977 1.242
614 1HB PRO 82 2HB PRO 82 5.467 -7.134 2.132
615 2HB PRO 82 1HB PRO 82 7.112 -7.245 2.771
616 1HG PRO 82 2HG PRO 82 5.990 -5.345 0.740
617 2HG PRO 82 1HG PRO 82 7.096 -5.019 2.088
618 1HD PRO 82 2HD PRO 82 7.918 -5.331 -0.512
619 2HD PRO 82 1HD PRO 82 8.943 -5.683 0.892
620 H HIS 83 H HIS 83 5.555 -10.240 0.553
621 HA HIS 83 HA HIS 83 3.677 -9.133 -1.445
622 1HB HIS 83 2HB HIS 83 5.019 -11.847 -1.494
623 2HB HIS 83 1HB HIS 83 3.733 -11.351 -2.591
624 HD1 HIS 83 HD1 HIS 83 6.871 -12.065 -3.206
625 HD2 HIS 83 HD2 HIS 83 5.009 -8.355 -3.316
626 HE1 HIS 83 HE1 HIS 83 8.290 -10.648 -4.711
627 HE2 HIS 83 HE2 HIS 83 7.010 -8.495 -4.944
628 H LEU 84 H LEU 84 1.577 -9.401 -0.989
629 HA LEU 84 HA LEU 84 0.776 -11.385 1.046
630 1HB LEU 84 2HB LEU 84 -0.193 -8.690 0.323
631 2HB LEU 84 1HB LEU 84 -1.460 -9.857 0.650
632 HG LEU 84 HG LEU 84 0.771 -9.134 2.548
633 1HD1 LEU 84 1HD1 LEU 84 -2.158 -8.403 2.603
634 2HD1 LEU 84 2HD1 LEU 84 -0.819 -7.304 2.264
635 3HD1 LEU 84 3HD1 LEU 84 -0.977 -8.036 3.860
636 1HD2 LEU 84 1HD2 LEU 84 0.062 -11.429 2.861
637 2HD2 LEU 84 2HD2 LEU 84 -1.628 -10.926 2.911
638 3HD2 LEU 84 3HD2 LEU 84 -0.522 -10.431 4.194
639 H TYR 85 H TYR 85 0.093 -13.250 0.172
640 HA TYR 85 HA TYR 85 -1.120 -13.348 -2.461
641 1HB TYR 85 2HB TYR 85 -0.756 -15.587 -0.453
642 2HB TYR 85 1HB TYR 85 -1.121 -15.763 -2.164
643 HD1 TYR 85 HD2 TYR 85 0.626 -15.385 -3.858
644 HD2 TYR 85 HD1 TYR 85 1.484 -15.068 0.303
645 HE1 TYR 85 HE2 TYR 85 3.035 -15.495 -4.349
646 HE2 TYR 85 HE1 TYR 85 3.885 -15.178 -0.183
647 HH TYR 85 HH TYR 85 5.159 -14.872 -3.327
648 H ARG 86 H ARG 86 -2.441 -12.214 0.180
649 HA ARG 86 HA ARG 86 -5.070 -13.446 -0.296
650 1HB ARG 86 2HB ARG 86 -5.442 -13.427 2.219
651 2HB ARG 86 1HB ARG 86 -4.342 -14.654 1.604
652 1HG ARG 86 2HG ARG 86 -2.443 -13.139 2.224
653 2HG ARG 86 1HG ARG 86 -3.621 -12.093 3.020
654 1HD ARG 86 2HD ARG 86 -3.264 -15.019 3.673
655 2HD ARG 86 1HD ARG 86 -2.424 -13.723 4.520
656 HE ARG 86 HE ARG 86 -4.762 -12.898 5.057
657 1HH1 ARG 86 1HH1 ARG 86 -4.120 -16.230 4.483
658 2HH1 ARG 86 2HH1 ARG 86 -5.296 -16.765 5.627
659 1HH2 ARG 86 1HH2 ARG 86 -6.290 -13.616 6.530
660 2HH2 ARG 86 2HH2 ARG 86 -6.506 -15.317 6.757
661 HA PRO 87 HA PRO 87 -6.629 -9.341 -0.478
662 1HB PRO 87 2HB PRO 87 -9.090 -9.658 0.754
663 2HB PRO 87 1HB PRO 87 -8.738 -10.084 -0.922
664 1HG PRO 87 2HG PRO 87 -8.810 -11.844 1.501
665 2HG PRO 87 1HG PRO 87 -9.435 -12.156 -0.131
666 1HD PRO 87 2HD PRO 87 -7.117 -13.222 0.688
667 2HD PRO 87 1HD PRO 87 -7.321 -12.644 -0.980
668 H LEU 88 H LEU 88 -6.388 -7.514 0.664
669 HA LEU 88 HA LEU 88 -5.949 -7.713 3.548
670 1HB LEU 88 2HB LEU 88 -4.212 -6.641 2.184
671 2HB LEU 88 1HB LEU 88 -5.376 -5.456 1.620
672 HG LEU 88 HG LEU 88 -5.609 -4.605 3.941
673 1HD1 LEU 88 1HD1 LEU 88 -5.022 -6.660 5.137
674 2HD1 LEU 88 2HD1 LEU 88 -4.036 -5.299 5.665
675 3HD1 LEU 88 3HD1 LEU 88 -3.354 -6.513 4.581
676 1HD2 LEU 88 1HD2 LEU 88 -2.768 -4.654 2.916
677 2HD2 LEU 88 2HD2 LEU 88 -3.452 -3.475 4.037
678 3HD2 LEU 88 3HD2 LEU 88 -4.043 -3.560 2.379
679 H LEU 89 H LEU 89 -7.313 -6.887 5.027
680 HA LEU 89 HA LEU 89 -9.741 -5.559 4.113
681 1HB LEU 89 2HB LEU 89 -8.899 -6.471 6.871
682 2HB LEU 89 1HB LEU 89 -10.470 -5.803 6.466
683 HG LEU 89 HG LEU 89 -9.331 -8.400 5.406
684 1HD1 LEU 89 1HD1 LEU 89 -11.102 -9.453 6.737
685 2HD1 LEU 89 2HD1 LEU 89 -11.549 -7.876 7.386
686 3HD1 LEU 89 3HD1 LEU 89 -9.965 -8.562 7.749
687 1HD2 LEU 89 1HD2 LEU 89 -11.546 -8.739 4.419
688 2HD2 LEU 89 2HD2 LEU 89 -10.755 -7.312 3.750
689 3HD2 LEU 89 3HD2 LEU 89 -12.034 -7.129 4.951
690 H VAL 90 H VAL 90 -10.213 -3.438 4.421
691 HA VAL 90 HA VAL 90 -8.258 -1.522 4.990
692 HB VAL 90 HB VAL 90 -11.274 -1.280 5.186
693 1HG1 VAL 90 1HG1 VAL 90 -10.937 1.142 4.940
694 2HG1 VAL 90 2HG1 VAL 90 -9.192 0.909 5.031
695 3HG1 VAL 90 3HG1 VAL 90 -10.205 0.535 6.425
696 1HG2 VAL 90 1HG2 VAL 90 -9.365 -0.608 2.938
697 2HG2 VAL 90 2HG2 VAL 90 -11.106 -0.325 2.931
698 3HG2 VAL 90 3HG2 VAL 90 -10.481 -1.973 2.980
699 H SER 91 H SER 91 -10.545 -3.158 7.085
700 HA SER 91 HA SER 91 -10.142 -1.589 9.422
701 1HB SER 91 2HB SER 91 -11.153 -3.552 10.604
702 2HB SER 91 1HB SER 91 -12.099 -3.005 9.219
703 HG SER 91 HG SER 91 -11.837 -5.297 9.277
704 H GLU 92 H GLU 92 -8.100 -3.809 7.865
705 HA GLU 92 HA GLU 92 -6.677 -4.644 10.272
706 1HB GLU 92 2HB GLU 92 -7.131 -6.156 8.263
707 2HB GLU 92 1HB GLU 92 -5.927 -5.215 7.396
708 1HG GLU 92 2HG GLU 92 -4.752 -7.078 8.144
709 2HG GLU 92 1HG GLU 92 -4.335 -5.826 9.312
710 H VAL 93 H VAL 93 -6.497 -2.172 7.901
711 HA VAL 93 HA VAL 93 -3.704 -1.779 7.711
712 HB VAL 93 HB VAL 93 -5.972 0.170 7.241
713 1HG1 VAL 93 1HG1 VAL 93 -4.392 1.439 5.855
714 2HG1 VAL 93 2HG1 VAL 93 -3.093 0.351 6.344
715 3HG1 VAL 93 3HG1 VAL 93 -3.874 1.381 7.542
716 1HG2 VAL 93 1HG2 VAL 93 -5.653 -0.432 4.862
717 2HG2 VAL 93 2HG2 VAL 93 -6.153 -1.806 5.846
718 3HG2 VAL 93 3HG2 VAL 93 -4.468 -1.646 5.347
719 H THR 94 H THR 94 -2.302 -0.311 8.707
720 HA THR 94 HA THR 94 -2.998 0.407 11.433
721 HB THR 94 HB THR 94 -0.363 0.760 9.977
722 HG1 THR 94 HG1 THR 94 -0.774 -1.154 11.998
723 1HG2 THR 94 1HG2 THR 94 -0.560 2.287 11.880
724 2HG2 THR 94 2HG2 THR 94 0.601 1.008 12.231
725 3HG2 THR 94 3HG2 THR 94 -1.018 0.942 12.926
726 H ARG 95 H ARG 95 -1.330 2.324 8.854
727 HA ARG 95 HA ARG 95 -2.749 4.699 9.904
728 1HB ARG 95 2HB ARG 95 -0.424 4.686 10.702
729 2HB ARG 95 1HB ARG 95 0.151 4.590 9.043
730 1HG ARG 95 2HG ARG 95 -0.933 6.776 8.586
731 2HG ARG 95 1HG ARG 95 -1.374 6.871 10.289
732 1HD ARG 95 2HD ARG 95 1.016 6.814 10.895
733 2HD ARG 95 1HD ARG 95 1.436 6.758 9.180
734 HE ARG 95 HE ARG 95 -0.237 8.986 9.848
735 1HH1 ARG 95 1HH1 ARG 95 3.039 7.900 9.777
736 2HH1 ARG 95 2HH1 ARG 95 3.673 9.505 9.709
737 1HH2 ARG 95 1HH2 ARG 95 0.585 11.018 9.752
738 2HH2 ARG 95 2HH2 ARG 95 2.296 11.260 9.695
739 H GLU 96 H GLU 96 -3.352 6.277 8.515
740 HA GLU 96 HA GLU 96 -3.016 5.834 5.611
741 1HB GLU 96 2HB GLU 96 -5.344 5.831 6.320
742 2HB GLU 96 1HB GLU 96 -5.122 7.342 7.190
743 1HG GLU 96 2HG GLU 96 -4.554 8.368 4.914
744 2HG GLU 96 1HG GLU 96 -5.217 6.888 4.220
745 H ALA 97 H ALA 97 -1.665 7.263 4.568
746 HA ALA 97 HA ALA 97 -1.466 10.014 5.607
747 1HB ALA 97 1HB ALA 97 0.935 8.306 4.939
748 2HB ALA 97 2HB ALA 97 0.416 8.771 6.558
749 3HB ALA 97 3HB ALA 97 0.967 10.003 5.422
750 H ASP 98 H ASP 98 -2.301 11.155 3.918
751 HA ASP 98 HA ASP 98 -1.918 10.555 1.173
752 1HB ASP 98 2HB ASP 98 -2.512 13.266 2.399
753 2HB ASP 98 1HB ASP 98 -2.818 12.777 0.735
754 H LEU 99 H LEU 99 -0.247 11.016 -0.192
755 HA LEU 99 HA LEU 99 2.217 11.904 1.003
756 1HB LEU 99 2HB LEU 99 1.547 10.972 -1.786
757 2HB LEU 99 1HB LEU 99 3.162 11.444 -1.290
758 HG LEU 99 HG LEU 99 1.567 9.154 -0.117
759 1HD1 LEU 99 1HD1 LEU 99 3.256 7.733 -1.206
760 2HD1 LEU 99 2HD1 LEU 99 3.951 9.162 -1.971
761 3HD1 LEU 99 3HD1 LEU 99 2.309 8.658 -2.371
762 1HD2 LEU 99 1HD2 LEU 99 3.017 10.169 1.550
763 2HD2 LEU 99 2HD2 LEU 99 4.386 10.090 0.441
764 3HD2 LEU 99 3HD2 LEU 99 3.663 8.604 1.057
765 H ASP 100 H ASP 100 1.843 14.113 1.471
766 HA ASP 100 HA ASP 100 1.561 16.013 -0.673
767 1HB ASP 100 2HB ASP 100 2.398 16.339 2.219
768 2HB ASP 100 1HB ASP 100 2.225 17.686 1.097
769 H LEU 101 H LEU 101 3.125 15.887 -2.185
770 HA LEU 101 HA LEU 101 5.940 15.944 -1.315
771 1HB LEU 101 2HB LEU 101 6.286 15.153 -3.786
772 2HB LEU 101 1HB LEU 101 5.818 14.022 -2.534
773 HG LEU 101 HG LEU 101 3.395 14.435 -3.322
774 1HD1 LEU 101 1HD1 LEU 101 4.879 15.469 -5.737
775 2HD1 LEU 101 2HD1 LEU 101 3.776 16.381 -4.707
776 3HD1 LEU 101 3HD1 LEU 101 3.166 15.050 -5.689
777 1HD2 LEU 101 1HD2 LEU 101 3.585 12.692 -5.003
778 2HD2 LEU 101 2HD2 LEU 101 4.632 12.344 -3.624
779 3HD2 LEU 101 3HD2 LEU 101 5.323 12.969 -5.124
780 H ASP 102 H ASP 102 7.461 17.244 -2.517
781 HA ASP 102 HA ASP 102 6.253 19.594 -3.809
782 1HB ASP 102 2HB ASP 102 6.447 19.855 -1.276
783 2HB ASP 102 1HB ASP 102 8.192 19.847 -1.501
784 H ALA 103 H ALA 103 8.013 21.166 -4.547
785 HA ALA 103 HA ALA 103 9.760 21.656 -5.895
786 1HB ALA 103 1HB ALA 103 10.979 21.302 -3.793
787 2HB ALA 103 2HB ALA 103 11.952 20.911 -5.211
788 3HB ALA 103 3HB ALA 103 11.244 19.617 -4.244
789 H ASP 104 H ASP 104 10.772 18.273 -5.497
790 HA ASP 104 HA ASP 104 10.903 18.018 -8.405
791 1HB ASP 104 2HB ASP 104 11.816 16.084 -6.257
792 2HB ASP 104 1HB ASP 104 12.198 15.995 -7.974
793 H GLY 105 H GLY 105 8.718 17.301 -5.956
794 1HA GLY 105 2HA GLY 105 6.662 16.202 -6.135
795 2HA GLY 105 1HA GLY 105 7.184 15.524 -7.670
796 H VAL 106 H VAL 106 9.200 15.276 -4.843
797 HA VAL 106 HA VAL 106 8.803 12.361 -4.818
798 HB VAL 106 HB VAL 106 11.023 14.003 -3.568
799 1HG1 VAL 106 1HG1 VAL 106 10.666 11.899 -2.382
800 2HG1 VAL 106 2HG1 VAL 106 12.182 11.854 -3.283
801 3HG1 VAL 106 3HG1 VAL 106 10.763 11.009 -3.902
802 1HG2 VAL 106 1HG2 VAL 106 12.430 13.144 -5.391
803 2HG2 VAL 106 2HG2 VAL 106 11.094 14.120 -6.003
804 3HG2 VAL 106 3HG2 VAL 106 11.020 12.360 -6.105
805 HA PRO 107 HA PRO 107 6.515 12.889 -0.978
806 1HB PRO 107 2HB PRO 107 6.309 10.252 -0.329
807 2HB PRO 107 1HB PRO 107 5.312 11.022 -1.568
808 1HG PRO 107 2HG PRO 107 7.803 9.386 -1.893
809 2HG PRO 107 1HG PRO 107 6.287 9.306 -2.811
810 1HD PRO 107 2HD PRO 107 8.467 10.588 -3.761
811 2HD PRO 107 1HD PRO 107 6.821 11.166 -4.094
812 H GLN 108 H GLN 108 7.039 13.062 1.158
813 HA GLN 108 HA GLN 108 9.839 12.659 1.810
814 1HB GLN 108 2HB GLN 108 7.638 13.926 3.455
815 2HB GLN 108 1HB GLN 108 9.357 13.970 3.829
816 1HG GLN 108 2HG GLN 108 8.007 15.225 1.438
817 2HG GLN 108 1HG GLN 108 8.644 16.068 2.849
818 1HE2 GLN 108 1HE2 GLN 108 9.336 16.383 0.039
819 2HE2 GLN 108 2HE2 GLN 108 11.030 16.085 -0.079
820 H LEU 109 H LEU 109 9.968 10.362 1.988
821 HA LEU 109 HA LEU 109 8.553 9.152 4.244
822 1HB LEU 109 2HB LEU 109 10.112 8.043 1.953
823 2HB LEU 109 1HB LEU 109 9.974 7.082 3.413
824 HG LEU 109 HG LEU 109 7.489 7.232 3.232
825 1HD1 LEU 109 1HD1 LEU 109 8.066 8.488 0.552
826 2HD1 LEU 109 2HD1 LEU 109 7.311 9.276 1.938
827 3HD1 LEU 109 3HD1 LEU 109 6.487 7.946 1.125
828 1HD2 LEU 109 1HD2 LEU 109 8.911 6.034 0.853
829 2HD2 LEU 109 2HD2 LEU 109 7.278 5.631 1.389
830 3HD2 LEU 109 3HD2 LEU 109 8.659 5.266 2.422
831 H GLY 110 H GLY 110 11.397 10.835 3.847
832 1HA GLY 110 2HA GLY 110 13.241 9.469 5.463
833 2HA GLY 110 1HA GLY 110 13.160 11.215 5.276
834 H ASP 111 H ASP 111 10.531 11.546 6.360
835 HA ASP 111 HA ASP 111 11.010 11.465 9.180
836 1HB ASP 111 2HB ASP 111 8.403 11.973 7.716
837 2HB ASP 111 1HB ASP 111 8.779 12.427 9.376
838 H HIS 112 H HIS 112 9.381 9.391 6.911
839 HA HIS 112 HA HIS 112 7.809 7.902 8.764
840 1HB HIS 112 2HB HIS 112 8.679 7.422 5.909
841 2HB HIS 112 1HB HIS 112 7.650 6.296 6.782
842 HD1 HIS 112 HD1 HIS 112 7.606 9.966 5.714
843 HD2 HIS 112 HD2 HIS 112 5.040 6.838 6.602
844 HE1 HIS 112 HE1 HIS 112 5.314 10.822 5.189
845 HE2 HIS 112 HE2 HIS 112 3.765 8.994 5.948
846 H LEU 113 H LEU 113 10.962 7.345 7.211
847 HA LEU 113 HA LEU 113 11.163 4.682 8.347
848 1HB LEU 113 2HB LEU 113 13.207 6.183 6.708
849 2HB LEU 113 1HB LEU 113 13.166 4.457 7.021
850 HG LEU 113 HG LEU 113 11.243 6.041 5.310
851 1HD1 LEU 113 1HD1 LEU 113 13.360 5.560 4.227
852 2HD1 LEU 113 2HD1 LEU 113 12.066 4.606 3.504
853 3HD1 LEU 113 3HD1 LEU 113 13.200 3.848 4.622
854 1HD2 LEU 113 1HD2 LEU 113 9.956 4.388 6.513
855 2HD2 LEU 113 2HD2 LEU 113 11.117 3.126 6.093
856 3HD2 LEU 113 3HD2 LEU 113 10.142 3.883 4.833
857 H ALA 114 H ALA 114 13.430 4.056 9.230
858 HA ALA 114 HA ALA 114 13.788 5.584 11.651
859 1HB ALA 114 1HB ALA 114 15.221 3.100 10.692
860 2HB ALA 114 2HB ALA 114 13.776 3.138 11.704
861 3HB ALA 114 3HB ALA 114 15.299 3.780 12.318
862 H LEU 115 H LEU 115 14.937 7.421 11.537
863 HA LEU 115 HA LEU 115 17.259 7.627 9.783
864 1HB LEU 115 2HB LEU 115 15.633 9.444 9.786
865 2HB LEU 115 1HB LEU 115 15.872 9.681 11.506
866 HG LEU 115 HG LEU 115 18.217 10.366 11.071
867 1HD1 LEU 115 1HD1 LEU 115 18.925 10.860 8.774
868 2HD1 LEU 115 2HD1 LEU 115 17.435 10.138 8.163
869 3HD1 LEU 115 3HD1 LEU 115 18.616 9.140 9.012
870 1HD2 LEU 115 1HD2 LEU 115 17.687 12.551 10.090
871 2HD2 LEU 115 2HD2 LEU 115 16.472 12.055 11.267
872 3HD2 LEU 115 3HD2 LEU 115 16.130 11.927 9.541
873 H GLU 116 H GLU 116 16.504 7.683 13.227
874 HA GLU 116 HA GLU 116 19.115 8.568 14.015
875 1HB GLU 116 2HB GLU 116 16.765 7.520 15.583
876 2HB GLU 116 1HB GLU 116 18.277 8.001 16.344
877 1HG GLU 116 2HG GLU 116 16.459 9.765 14.708
878 2HG GLU 116 1HG GLU 116 16.656 9.797 16.461
Start of MODEL 5
1 1H MET 1 1H MET 1 5.947 -4.740 14.494
2 2H MET 1 2H MET 1 6.281 -3.087 14.601
3 3H MET 1 3H MET 1 6.819 -4.139 15.813
4 HA MET 1 HA MET 1 8.649 -3.531 14.412
5 1HB MET 1 2HB MET 1 8.649 -5.763 15.380
6 2HB MET 1 1HB MET 1 7.713 -6.381 14.029
7 1HG MET 1 2HG MET 1 9.597 -5.894 12.522
8 2HG MET 1 1HG MET 1 10.530 -5.312 13.899
9 1HE MET 1 1HE MET 1 12.474 -7.026 13.156
10 2HE MET 1 2HE MET 1 11.468 -7.620 11.834
11 3HE MET 1 3HE MET 1 12.210 -8.759 12.957
12 H THR 2 H THR 2 6.660 -5.720 12.364
13 HA THR 2 HA THR 2 7.996 -4.602 10.026
14 HB THR 2 HB THR 2 6.048 -6.917 10.178
15 HG1 THR 2 HG1 THR 2 8.844 -7.147 9.802
16 1HG2 THR 2 1HG2 THR 2 6.957 -7.521 7.971
17 2HG2 THR 2 2HG2 THR 2 7.935 -6.056 7.971
18 3HG2 THR 2 3HG2 THR 2 6.176 -5.942 7.930
19 H LEU 3 H LEU 3 7.086 -2.615 9.633
20 HA LEU 3 HA LEU 3 4.212 -2.394 9.158
21 1HB LEU 3 2HB LEU 3 6.406 -0.330 8.839
22 2HB LEU 3 1HB LEU 3 4.684 -0.018 8.733
23 HG LEU 3 HG LEU 3 6.157 -0.913 11.217
24 1HD1 LEU 3 1HD1 LEU 3 5.670 1.333 12.054
25 2HD1 LEU 3 2HD1 LEU 3 4.962 1.763 10.496
26 3HD1 LEU 3 3HD1 LEU 3 6.681 1.385 10.610
27 1HD2 LEU 3 1HD2 LEU 3 3.254 -0.179 10.808
28 2HD2 LEU 3 2HD2 LEU 3 4.026 -0.463 12.369
29 3HD2 LEU 3 3HD2 LEU 3 3.889 -1.778 11.202
30 H ILE 4 H ILE 4 3.393 -2.914 7.207
31 HA ILE 4 HA ILE 4 5.117 -2.847 4.841
32 HB ILE 4 HB ILE 4 3.242 -3.939 3.660
33 1HG1 ILE 4 2HG1 ILE 4 1.906 -3.933 6.388
34 2HG1 ILE 4 1HG1 ILE 4 1.367 -3.038 4.971
35 1HG2 ILE 4 1HG2 ILE 4 4.983 -5.292 4.674
36 2HG2 ILE 4 2HG2 ILE 4 3.429 -6.115 4.799
37 3HG2 ILE 4 3HG2 ILE 4 4.115 -5.307 6.209
38 1HD1 ILE 4 1HD1 ILE 4 0.017 -5.018 5.319
39 2HD1 ILE 4 2HD1 ILE 4 1.456 -6.037 5.240
40 3HD1 ILE 4 3HD1 ILE 4 0.927 -5.146 3.813
41 H TYR 5 H TYR 5 4.601 -1.658 2.958
42 HA TYR 5 HA TYR 5 2.778 0.619 3.420
43 1HB TYR 5 2HB TYR 5 5.542 0.707 2.187
44 2HB TYR 5 1HB TYR 5 4.434 2.070 2.291
45 HD1 TYR 5 HD1 TYR 5 6.647 -0.165 4.203
46 HD2 TYR 5 HD2 TYR 5 4.093 3.238 4.386
47 HE1 TYR 5 HE1 TYR 5 7.562 0.397 6.417
48 HE2 TYR 5 HE2 TYR 5 5.002 3.807 6.600
49 HH TYR 5 HH TYR 5 6.130 2.649 8.485
50 H LYS 6 H LYS 6 1.408 1.094 1.823
51 HA LYS 6 HA LYS 6 2.040 0.219 -0.931
52 1HB LYS 6 2HB LYS 6 0.290 -1.263 -0.019
53 2HB LYS 6 1HB LYS 6 -0.700 0.139 0.369
54 1HG LYS 6 2HG LYS 6 -0.646 0.688 -2.120
55 2HG LYS 6 1HG LYS 6 0.030 -0.926 -2.354
56 1HD LYS 6 2HD LYS 6 -1.958 -1.885 -1.236
57 2HD LYS 6 1HD LYS 6 -2.633 -0.264 -1.084
58 1HE LYS 6 2HE LYS 6 -2.054 -1.767 -3.637
59 2HE LYS 6 1HE LYS 6 -3.630 -1.360 -2.977
60 1HZ LYS 6 1HZ LYS 6 -1.619 0.570 -4.004
61 2HZ LYS 6 2HZ LYS 6 -3.094 0.992 -3.294
62 3HZ LYS 6 3HZ LYS 6 -3.079 0.141 -4.751
63 H ILE 7 H ILE 7 2.319 2.004 -2.137
64 HA ILE 7 HA ILE 7 0.902 4.465 -1.539
65 HB ILE 7 HB ILE 7 2.059 5.087 -3.886
66 1HG1 ILE 7 2HG1 ILE 7 4.329 4.022 -3.972
67 2HG1 ILE 7 1HG1 ILE 7 3.790 2.854 -2.771
68 1HG2 ILE 7 1HG2 ILE 7 3.949 5.978 -2.606
69 2HG2 ILE 7 2HG2 ILE 7 3.480 4.980 -1.229
70 3HG2 ILE 7 3HG2 ILE 7 2.404 6.257 -1.800
71 1HD1 ILE 7 1HD1 ILE 7 2.645 3.207 -5.534
72 2HD1 ILE 7 2HD1 ILE 7 2.114 2.024 -4.338
73 3HD1 ILE 7 3HD1 ILE 7 3.740 1.927 -5.013
74 H LEU 8 H LEU 8 -0.792 5.348 -2.646
75 HA LEU 8 HA LEU 8 -1.594 4.438 -5.235
76 1HB LEU 8 2HB LEU 8 -3.712 3.434 -4.704
77 2HB LEU 8 1HB LEU 8 -2.450 2.572 -3.850
78 HG LEU 8 HG LEU 8 -4.263 4.637 -2.571
79 1HD1 LEU 8 1HD1 LEU 8 -5.565 2.707 -3.260
80 2HD1 LEU 8 2HD1 LEU 8 -5.381 2.724 -1.508
81 3HD1 LEU 8 3HD1 LEU 8 -4.410 1.621 -2.484
82 1HD2 LEU 8 1HD2 LEU 8 -3.410 3.765 -0.463
83 2HD2 LEU 8 2HD2 LEU 8 -2.094 4.386 -1.457
84 3HD2 LEU 8 3HD2 LEU 8 -2.358 2.646 -1.332
85 H SER 9 H SER 9 -3.374 5.638 -6.122
86 HA SER 9 HA SER 9 -3.623 8.313 -5.167
87 1HB SER 9 2HB SER 9 -5.308 6.856 -7.232
88 2HB SER 9 1HB SER 9 -5.240 8.603 -7.001
89 HG SER 9 HG SER 9 -3.175 8.632 -7.765
90 H ARG 10 H ARG 10 -5.280 9.309 -4.051
91 HA ARG 10 HA ARG 10 -6.655 7.945 -2.104
92 1HB ARG 10 2HB ARG 10 -6.300 10.411 -2.152
93 2HB ARG 10 1HB ARG 10 -7.568 10.545 -3.363
94 1HG ARG 10 2HG ARG 10 -8.492 11.117 -1.226
95 2HG ARG 10 1HG ARG 10 -9.166 9.563 -1.725
96 1HD ARG 10 2HD ARG 10 -7.410 8.449 -0.317
97 2HD ARG 10 1HD ARG 10 -6.963 10.046 0.284
98 HE ARG 10 HE ARG 10 -9.753 9.383 0.586
99 1HH1 ARG 10 1HH1 ARG 10 -6.635 9.282 2.043
100 2HH1 ARG 10 2HH1 ARG 10 -7.270 9.053 3.635
101 1HH2 ARG 10 1HH2 ARG 10 -10.548 9.095 2.619
102 2HH2 ARG 10 2HH2 ARG 10 -9.459 8.974 3.963
103 H ALA 11 H ALA 11 -7.835 8.786 -5.340
104 HA ALA 11 HA ALA 11 -10.475 8.022 -5.200
105 1HB ALA 11 1HB ALA 11 -10.336 7.539 -7.597
106 2HB ALA 11 2HB ALA 11 -8.575 7.527 -7.492
107 3HB ALA 11 3HB ALA 11 -9.465 9.017 -7.185
108 H GLU 12 H GLU 12 -7.674 5.877 -5.787
109 HA GLU 12 HA GLU 12 -9.187 3.487 -6.028
110 1HB GLU 12 2HB GLU 12 -6.884 3.661 -6.879
111 2HB GLU 12 1HB GLU 12 -6.279 3.854 -5.238
112 1HG GLU 12 2HG GLU 12 -7.092 1.593 -4.689
113 2HG GLU 12 1HG GLU 12 -7.648 1.402 -6.350
114 H TRP 13 H TRP 13 -7.535 5.015 -3.268
115 HA TRP 13 HA TRP 13 -7.910 2.891 -1.460
116 1HB TRP 13 2HB TRP 13 -6.267 4.575 -0.962
117 2HB TRP 13 1HB TRP 13 -7.492 5.842 -0.946
118 HD1 TRP 13 HD1 TRP 13 -7.751 6.610 1.484
119 HE1 TRP 13 HE1 TRP 13 -8.017 5.450 3.767
120 HE3 TRP 13 HE3 TRP 13 -7.186 1.748 0.006
121 HZ2 TRP 13 HZ2 TRP 13 -8.032 2.828 4.801
122 HZ3 TRP 13 HZ3 TRP 13 -7.343 -0.026 1.705
123 HH2 TRP 13 HH2 TRP 13 -7.752 0.507 4.050
124 H ASP 14 H ASP 14 -9.804 5.923 -1.797
125 HA ASP 14 HA ASP 14 -11.738 5.221 0.122
126 1HB ASP 14 2HB ASP 14 -11.339 7.375 -1.768
127 2HB ASP 14 1HB ASP 14 -13.034 6.894 -1.746
128 H ALA 15 H ALA 15 -11.466 4.379 -3.278
129 HA ALA 15 HA ALA 15 -14.038 3.275 -3.651
130 1HB ALA 15 1HB ALA 15 -12.467 3.656 -5.498
131 2HB ALA 15 2HB ALA 15 -13.039 1.988 -5.472
132 3HB ALA 15 3HB ALA 15 -11.425 2.377 -4.875
133 H ALA 16 H ALA 16 -10.987 1.676 -2.686
134 HA ALA 16 HA ALA 16 -12.112 -0.832 -2.044
135 1HB ALA 16 1HB ALA 16 -9.631 0.441 -0.877
136 2HB ALA 16 2HB ALA 16 -9.700 -0.469 -2.386
137 3HB ALA 16 3HB ALA 16 -10.035 -1.277 -0.855
138 H LYS 17 H LYS 17 -11.693 2.112 -0.155
139 HA LYS 17 HA LYS 17 -12.439 1.067 2.368
140 1HB LYS 17 2HB LYS 17 -11.270 3.218 2.126
141 2HB LYS 17 1HB LYS 17 -12.676 3.899 1.317
142 1HG LYS 17 2HG LYS 17 -13.998 3.622 3.350
143 2HG LYS 17 1HG LYS 17 -12.612 2.901 4.164
144 1HD LYS 17 2HD LYS 17 -12.681 5.710 3.052
145 2HD LYS 17 1HD LYS 17 -12.983 5.292 4.738
146 1HE LYS 17 2HE LYS 17 -10.692 4.236 4.768
147 2HE LYS 17 1HE LYS 17 -10.423 4.965 3.184
148 1HZ LYS 17 1HZ LYS 17 -9.545 6.343 4.971
149 2HZ LYS 17 2HZ LYS 17 -11.079 6.449 5.673
150 3HZ LYS 17 3HZ LYS 17 -10.795 7.140 4.159
151 H ALA 18 H ALA 18 -14.325 2.519 -0.269
152 HA ALA 18 HA ALA 18 -16.847 2.505 0.960
153 1HB ALA 18 1HB ALA 18 -17.780 2.496 -1.301
154 2HB ALA 18 2HB ALA 18 -16.206 2.041 -1.957
155 3HB ALA 18 3HB ALA 18 -16.419 3.612 -1.185
156 H GLN 19 H GLN 19 -15.117 -0.033 -0.794
157 HA GLN 19 HA GLN 19 -17.105 -2.066 -0.501
158 1HB GLN 19 2HB GLN 19 -14.111 -2.438 -0.793
159 2HB GLN 19 1HB GLN 19 -15.364 -3.603 -1.200
160 1HG GLN 19 2HG GLN 19 -16.136 -2.161 -2.986
161 2HG GLN 19 1HG GLN 19 -14.920 -0.961 -2.573
162 1HE2 GLN 19 1HE2 GLN 19 -13.923 -1.046 -4.564
163 2HE2 GLN 19 2HE2 GLN 19 -12.999 -2.409 -5.092
164 H GLY 20 H GLY 20 -14.636 -0.760 1.537
165 1HA GLY 20 2HA GLY 20 -14.149 -1.156 3.766
166 2HA GLY 20 1HA GLY 20 -15.357 -2.433 3.777
167 H ARG 21 H ARG 21 -13.305 -2.847 1.156
168 HA ARG 21 HA ARG 21 -11.343 -4.467 2.568
169 1HB ARG 21 2HB ARG 21 -13.140 -6.010 2.635
170 2HB ARG 21 1HB ARG 21 -13.635 -5.632 0.994
171 1HG ARG 21 2HG ARG 21 -11.713 -6.789 0.098
172 2HG ARG 21 1HG ARG 21 -11.087 -7.076 1.725
173 1HD ARG 21 2HD ARG 21 -12.843 -8.568 2.248
174 2HD ARG 21 1HD ARG 21 -13.806 -8.046 0.867
175 HE ARG 21 HE ARG 21 -11.757 -9.078 -0.407
176 1HH1 ARG 21 1HH1 ARG 21 -13.331 -10.314 2.396
177 2HH1 ARG 21 2HH1 ARG 21 -13.075 -11.960 1.939
178 1HH2 ARG 21 1HH2 ARG 21 -11.457 -11.186 -0.993
179 2HH2 ARG 21 2HH2 ARG 21 -12.036 -12.451 0.039
180 H PHE 22 H PHE 22 -9.520 -4.817 1.400
181 HA PHE 22 HA PHE 22 -9.550 -4.207 -1.492
182 1HB PHE 22 2HB PHE 22 -8.358 -2.430 -0.350
183 2HB PHE 22 1HB PHE 22 -7.398 -3.594 0.558
184 HD1 PHE 22 HD1 PHE 22 -8.092 -2.397 -2.894
185 HD2 PHE 22 HD2 PHE 22 -5.341 -4.344 -0.285
186 HE1 PHE 22 HE1 PHE 22 -6.389 -2.370 -4.665
187 HE2 PHE 22 HE2 PHE 22 -3.639 -4.320 -2.052
188 HZ PHE 22 HZ PHE 22 -4.165 -3.333 -4.243
189 H GLU 23 H GLU 23 -8.510 -5.644 -2.845
190 HA GLU 23 HA GLU 23 -6.666 -7.612 -1.798
191 1HB GLU 23 2HB GLU 23 -7.957 -9.561 -2.647
192 2HB GLU 23 1HB GLU 23 -8.724 -8.743 -1.294
193 1HG GLU 23 2HG GLU 23 -10.093 -7.499 -3.092
194 2HG GLU 23 1HG GLU 23 -9.536 -8.767 -4.182
195 H GLY 24 H GLY 24 -5.399 -6.248 -3.263
196 1HA GLY 24 2HA GLY 24 -4.067 -6.371 -5.179
197 2HA GLY 24 1HA GLY 24 -5.238 -7.459 -5.904
198 H SER 25 H SER 25 -3.921 -4.417 -6.092
199 HA SER 25 HA SER 25 -6.156 -2.898 -7.009
200 1HB SER 25 2HB SER 25 -3.187 -2.544 -7.537
201 2HB SER 25 1HB SER 25 -4.429 -1.359 -7.942
202 HG SER 25 HG SER 25 -4.534 -0.770 -5.926
203 H ALA 26 H ALA 26 -5.850 -1.907 -9.413
204 HA ALA 26 HA ALA 26 -6.749 -3.729 -11.244
205 1HB ALA 26 1HB ALA 26 -6.770 -1.289 -11.578
206 2HB ALA 26 2HB ALA 26 -6.157 -2.146 -12.992
207 3HB ALA 26 3HB ALA 26 -5.036 -1.329 -11.902
208 H VAL 27 H VAL 27 -3.343 -2.725 -10.879
209 HA VAL 27 HA VAL 27 -2.331 -4.558 -12.817
210 HB VAL 27 HB VAL 27 -0.833 -3.226 -10.552
211 1HG1 VAL 27 1HG1 VAL 27 1.140 -3.513 -12.017
212 2HG1 VAL 27 2HG1 VAL 27 0.143 -4.430 -13.147
213 3HG1 VAL 27 3HG1 VAL 27 0.432 -5.051 -11.522
214 1HG2 VAL 27 1HG2 VAL 27 -1.976 -1.551 -11.889
215 2HG2 VAL 27 2HG2 VAL 27 -1.333 -2.256 -13.371
216 3HG2 VAL 27 3HG2 VAL 27 -0.244 -1.495 -12.212
217 H ASP 28 H ASP 28 -2.272 -4.575 -9.244
218 HA ASP 28 HA ASP 28 -0.897 -6.949 -8.823
219 1HB ASP 28 2HB ASP 28 -3.114 -5.750 -7.141
220 2HB ASP 28 1HB ASP 28 -1.957 -6.961 -6.592
221 H LEU 29 H LEU 29 -4.445 -6.539 -8.881
222 HA LEU 29 HA LEU 29 -5.100 -9.265 -8.667
223 1HB LEU 29 2HB LEU 29 -6.673 -7.389 -8.270
224 2HB LEU 29 1HB LEU 29 -6.688 -7.057 -9.991
225 HG LEU 29 HG LEU 29 -7.694 -9.290 -10.395
226 1HD1 LEU 29 1HD1 LEU 29 -8.592 -10.576 -8.516
227 2HD1 LEU 29 2HD1 LEU 29 -7.827 -9.460 -7.383
228 3HD1 LEU 29 3HD1 LEU 29 -6.834 -10.463 -8.440
229 1HD2 LEU 29 1HD2 LEU 29 -9.213 -7.546 -8.449
230 2HD2 LEU 29 2HD2 LEU 29 -9.921 -8.749 -9.529
231 3HD2 LEU 29 3HD2 LEU 29 -9.127 -7.324 -10.198
232 H ALA 30 H ALA 30 -4.477 -7.225 -11.502
233 HA ALA 30 HA ALA 30 -5.054 -9.260 -13.434
234 1HB ALA 30 1HB ALA 30 -3.420 -6.731 -13.666
235 2HB ALA 30 2HB ALA 30 -5.137 -6.912 -14.033
236 3HB ALA 30 3HB ALA 30 -3.933 -7.739 -15.021
237 H ASP 31 H ASP 31 -2.368 -8.670 -11.381
238 HA ASP 31 HA ASP 31 -0.439 -10.061 -13.064
239 1HB ASP 31 2HB ASP 31 0.243 -8.069 -11.779
240 2HB ASP 31 1HB ASP 31 -0.153 -8.901 -10.279
241 H GLY 32 H GLY 32 -1.994 -10.540 -9.895
242 1HA GLY 32 2HA GLY 32 -2.632 -13.112 -9.874
243 2HA GLY 32 1HA GLY 32 -0.890 -13.244 -9.705
244 H PHE 33 H PHE 33 -0.485 -10.977 -8.044
245 HA PHE 33 HA PHE 33 -2.062 -11.401 -5.631
246 1HB PHE 33 2HB PHE 33 -0.022 -11.908 -4.264
247 2HB PHE 33 1HB PHE 33 -0.443 -13.183 -5.402
248 HD1 PHE 33 HD1 PHE 33 0.910 -13.542 -7.426
249 HD2 PHE 33 HD2 PHE 33 2.032 -10.681 -4.474
250 HE1 PHE 33 HE1 PHE 33 3.177 -13.455 -8.372
251 HE2 PHE 33 HE2 PHE 33 4.299 -10.597 -5.418
252 HZ PHE 33 HZ PHE 33 4.876 -11.982 -7.368
253 H ILE 34 H ILE 34 -0.877 -10.042 -3.751
254 HA ILE 34 HA ILE 34 -0.715 -7.341 -4.819
255 HB ILE 34 HB ILE 34 -0.609 -8.241 -1.930
256 1HG1 ILE 34 2HG1 ILE 34 -2.978 -7.278 -3.568
257 2HG1 ILE 34 1HG1 ILE 34 -2.705 -8.938 -3.046
258 1HG2 ILE 34 1HG2 ILE 34 -1.272 -5.910 -1.442
259 2HG2 ILE 34 2HG2 ILE 34 -1.128 -5.526 -3.158
260 3HG2 ILE 34 3HG2 ILE 34 0.299 -6.007 -2.238
261 1HD1 ILE 34 1HD1 ILE 34 -3.180 -6.570 -1.243
262 2HD1 ILE 34 2HD1 ILE 34 -2.898 -8.230 -0.713
263 3HD1 ILE 34 3HD1 ILE 34 -4.343 -7.834 -1.644
264 H HIS 35 H HIS 35 1.112 -6.252 -5.171
265 HA HIS 35 HA HIS 35 3.648 -7.325 -4.096
266 1HB HIS 35 2HB HIS 35 4.734 -6.100 -6.003
267 2HB HIS 35 1HB HIS 35 3.657 -7.402 -6.494
268 HD1 HIS 35 HD1 HIS 35 3.896 -3.657 -6.426
269 HD2 HIS 35 HD2 HIS 35 1.479 -6.617 -8.029
270 HE1 HIS 35 HE1 HIS 35 2.363 -2.473 -8.013
271 HE2 HIS 35 HE2 HIS 35 0.704 -4.240 -8.677
272 H LEU 36 H LEU 36 3.706 -6.238 -2.136
273 HA LEU 36 HA LEU 36 3.255 -3.394 -1.971
274 1HB LEU 36 2HB LEU 36 4.314 -5.344 0.080
275 2HB LEU 36 1HB LEU 36 3.840 -3.687 0.411
276 HG LEU 36 HG LEU 36 1.964 -5.838 -0.597
277 1HD1 LEU 36 1HD1 LEU 36 1.034 -5.832 1.664
278 2HD1 LEU 36 2HD1 LEU 36 2.299 -4.719 2.183
279 3HD1 LEU 36 3HD1 LEU 36 2.720 -6.348 1.656
280 1HD2 LEU 36 1HD2 LEU 36 1.263 -3.607 -1.260
281 2HD2 LEU 36 2HD2 LEU 36 1.439 -3.034 0.399
282 3HD2 LEU 36 3HD2 LEU 36 0.201 -4.228 0.005
283 H SER 37 H SER 37 4.930 -2.041 -0.719
284 HA SER 37 HA SER 37 7.675 -2.633 -1.640
285 1HB SER 37 2HB SER 37 6.260 0.040 -1.885
286 2HB SER 37 1HB SER 37 7.962 -0.246 -2.251
287 HG SER 37 HG SER 37 6.492 -2.040 -3.570
288 H ALA 38 H ALA 38 9.053 -2.615 0.018
289 HA ALA 38 HA ALA 38 8.201 -1.675 2.609
290 1HB ALA 38 1HB ALA 38 10.851 -2.878 1.813
291 2HB ALA 38 2HB ALA 38 9.430 -3.793 2.315
292 3HB ALA 38 3HB ALA 38 10.220 -2.700 3.451
293 H GLY 39 H GLY 39 8.173 0.526 2.758
294 1HA GLY 39 2HA GLY 39 8.966 2.659 3.074
295 2HA GLY 39 1HA GLY 39 10.360 1.838 3.746
296 H GLU 40 H GLU 40 12.233 1.650 2.534
297 HA GLU 40 HA GLU 40 13.075 3.660 0.880
298 1HB GLU 40 2HB GLU 40 14.620 2.085 1.886
299 2HB GLU 40 1HB GLU 40 13.962 0.763 0.932
300 1HG GLU 40 2HG GLU 40 14.795 1.866 -1.118
301 2HG GLU 40 1HG GLU 40 15.518 3.124 -0.116
302 H GLN 41 H GLN 41 11.989 0.452 -0.246
303 HA GLN 41 HA GLN 41 12.139 1.030 -3.006
304 1HB GLN 41 2HB GLN 41 10.481 -1.040 -1.538
305 2HB GLN 41 1HB GLN 41 10.728 -1.010 -3.281
306 1HG GLN 41 2HG GLN 41 13.109 -1.357 -2.983
307 2HG GLN 41 1HG GLN 41 12.924 -1.281 -1.232
308 1HE2 GLN 41 1HE2 GLN 41 12.029 -3.033 -0.151
309 2HE2 GLN 41 2HE2 GLN 41 11.840 -4.579 -0.888
310 H ALA 42 H ALA 42 9.704 1.754 -0.637
311 HA ALA 42 HA ALA 42 7.516 2.119 -2.442
312 1HB ALA 42 1HB ALA 42 7.164 1.658 -0.067
313 2HB ALA 42 2HB ALA 42 6.374 3.160 -0.553
314 3HB ALA 42 3HB ALA 42 7.891 3.211 0.348
315 H GLN 43 H GLN 43 9.603 4.476 -0.708
316 HA GLN 43 HA GLN 43 8.500 6.723 -2.055
317 1HB GLN 43 2HB GLN 43 9.604 6.932 0.125
318 2HB GLN 43 1HB GLN 43 11.146 6.491 -0.601
319 1HG GLN 43 2HG GLN 43 11.256 8.503 -1.837
320 2HG GLN 43 1HG GLN 43 9.564 8.877 -1.522
321 1HE2 GLN 43 1HE2 GLN 43 10.041 10.881 -0.691
322 2HE2 GLN 43 2HE2 GLN 43 10.760 11.098 0.860
323 H GLU 44 H GLU 44 11.221 4.603 -2.797
324 HA GLU 44 HA GLU 44 12.300 6.195 -4.880
325 1HB GLU 44 2HB GLU 44 13.487 4.255 -3.865
326 2HB GLU 44 1HB GLU 44 12.357 3.176 -4.676
327 1HG GLU 44 2HG GLU 44 13.106 4.050 -6.850
328 2HG GLU 44 1HG GLU 44 14.264 5.087 -6.021
329 H THR 45 H THR 45 9.922 3.522 -4.951
330 HA THR 45 HA THR 45 9.318 3.633 -7.697
331 HB THR 45 HB THR 45 7.510 2.850 -5.388
332 HG1 THR 45 HG1 THR 45 8.776 1.158 -5.425
333 1HG2 THR 45 1HG2 THR 45 7.160 2.293 -8.344
334 2HG2 THR 45 2HG2 THR 45 6.197 3.431 -7.405
335 3HG2 THR 45 3HG2 THR 45 6.124 1.706 -7.045
336 H ALA 46 H ALA 46 7.998 5.457 -4.959
337 HA ALA 46 HA ALA 46 6.048 6.914 -6.389
338 1HB ALA 46 1HB ALA 46 6.075 6.782 -3.947
339 2HB ALA 46 2HB ALA 46 6.075 8.460 -4.492
340 3HB ALA 46 3HB ALA 46 7.567 7.722 -3.906
341 H ALA 47 H ALA 47 9.502 7.486 -5.865
342 HA ALA 47 HA ALA 47 9.529 10.021 -7.219
343 1HB ALA 47 1HB ALA 47 11.960 9.848 -7.069
344 2HB ALA 47 2HB ALA 47 11.818 8.166 -6.557
345 3HB ALA 47 3HB ALA 47 11.204 9.456 -5.525
346 H LYS 48 H LYS 48 9.797 6.690 -8.204
347 HA LYS 48 HA LYS 48 10.854 7.271 -10.827
348 1HB LYS 48 2HB LYS 48 9.911 4.806 -9.407
349 2HB LYS 48 1HB LYS 48 10.095 4.773 -11.148
350 1HG LYS 48 2HG LYS 48 12.468 5.428 -10.881
351 2HG LYS 48 1HG LYS 48 12.260 5.351 -9.128
352 1HD LYS 48 2HD LYS 48 11.870 3.013 -9.179
353 2HD LYS 48 1HD LYS 48 11.632 3.010 -10.927
354 1HE LYS 48 2HE LYS 48 13.785 2.064 -10.453
355 2HE LYS 48 1HE LYS 48 14.022 3.641 -11.197
356 1HZ LYS 48 1HZ LYS 48 15.522 3.361 -9.368
357 2HZ LYS 48 2HZ LYS 48 14.256 3.004 -8.310
358 3HZ LYS 48 3HZ LYS 48 14.398 4.556 -8.966
359 H TRP 49 H TRP 49 7.814 5.637 -9.877
360 HA TRP 49 HA TRP 49 6.712 6.207 -12.503
361 1HB TRP 49 2HB TRP 49 5.593 4.569 -10.223
362 2HB TRP 49 1HB TRP 49 4.919 4.653 -11.847
363 HD1 TRP 49 HD1 TRP 49 7.755 3.084 -9.858
364 HE1 TRP 49 HE1 TRP 49 8.904 1.291 -11.298
365 HE3 TRP 49 HE3 TRP 49 5.467 4.040 -14.325
366 HZ2 TRP 49 HZ2 TRP 49 8.854 0.400 -13.976
367 HZ3 TRP 49 HZ3 TRP 49 6.074 2.677 -16.281
368 HH2 TRP 49 HH2 TRP 49 7.734 0.894 -16.110
369 H PHE 50 H PHE 50 6.152 7.210 -9.186
370 HA PHE 50 HA PHE 50 3.648 8.555 -9.956
371 1HB PHE 50 2HB PHE 50 4.800 7.972 -7.215
372 2HB PHE 50 1HB PHE 50 3.259 8.768 -7.515
373 HD1 PHE 50 HD1 PHE 50 5.090 5.580 -7.719
374 HD2 PHE 50 HD2 PHE 50 1.320 7.517 -8.179
375 HE1 PHE 50 HE1 PHE 50 3.973 3.390 -7.800
376 HE2 PHE 50 HE2 PHE 50 0.202 5.329 -8.259
377 HZ PHE 50 HZ PHE 50 1.529 3.259 -8.069
378 H ARG 51 H ARG 51 6.597 9.469 -10.318
379 HA ARG 51 HA ARG 51 7.128 11.647 -8.650
380 1HB ARG 51 2HB ARG 51 8.752 10.527 -10.194
381 2HB ARG 51 1HB ARG 51 7.978 11.339 -11.543
382 1HG ARG 51 2HG ARG 51 9.067 12.966 -9.277
383 2HG ARG 51 1HG ARG 51 10.168 12.305 -10.483
384 1HD ARG 51 2HD ARG 51 8.853 13.431 -12.255
385 2HD ARG 51 1HD ARG 51 7.818 14.133 -11.012
386 HE ARG 51 HE ARG 51 10.068 15.113 -10.180
387 1HH1 ARG 51 1HH1 ARG 51 9.195 14.636 -13.487
388 2HH1 ARG 51 2HH1 ARG 51 10.123 15.986 -14.034
389 1HH2 ARG 51 1HH2 ARG 51 11.273 16.826 -10.913
390 2HH2 ARG 51 2HH2 ARG 51 11.297 17.194 -12.604
391 H GLY 52 H GLY 52 5.557 13.118 -8.298
392 1HA GLY 52 2HA GLY 52 4.758 15.277 -8.792
393 2HA GLY 52 1HA GLY 52 4.980 14.958 -10.501
394 H GLN 53 H GLN 53 3.283 12.532 -8.695
395 HA GLN 53 HA GLN 53 0.749 13.332 -9.910
396 1HB GLN 53 2HB GLN 53 1.510 10.897 -8.284
397 2HB GLN 53 1HB GLN 53 -0.087 11.173 -8.971
398 1HG GLN 53 2HG GLN 53 0.949 11.239 -11.227
399 2HG GLN 53 1HG GLN 53 2.495 10.825 -10.486
400 1HE2 GLN 53 1HE2 GLN 53 2.630 8.899 -11.657
401 2HE2 GLN 53 2HE2 GLN 53 1.636 7.533 -11.295
402 H ALA 54 H ALA 54 -1.223 12.702 -8.257
403 HA ALA 54 HA ALA 54 -0.762 14.244 -5.777
404 1HB ALA 54 1HB ALA 54 -2.844 15.456 -6.113
405 2HB ALA 54 2HB ALA 54 -3.117 14.604 -7.633
406 3HB ALA 54 3HB ALA 54 -1.756 15.714 -7.477
407 H ASN 55 H ASN 55 -2.384 13.941 -4.109
408 HA ASN 55 HA ASN 55 -3.689 12.712 -2.724
409 1HB ASN 55 2HB ASN 55 -4.796 11.840 -5.388
410 2HB ASN 55 1HB ASN 55 -5.424 11.184 -3.881
411 1HD2 ASN 55 1HD2 ASN 55 -4.272 14.465 -4.104
412 2HD2 ASN 55 2HD2 ASN 55 -5.818 15.215 -3.969
413 H LEU 56 H LEU 56 -1.077 11.677 -3.463
414 HA LEU 56 HA LEU 56 -1.300 8.818 -3.635
415 1HB LEU 56 2HB LEU 56 1.074 10.567 -2.978
416 2HB LEU 56 1HB LEU 56 1.149 8.834 -3.242
417 HG LEU 56 HG LEU 56 0.420 10.941 -5.285
418 1HD1 LEU 56 1HD1 LEU 56 2.811 10.765 -4.791
419 2HD1 LEU 56 2HD1 LEU 56 2.442 10.197 -6.419
420 3HD1 LEU 56 3HD1 LEU 56 2.755 9.034 -5.131
421 1HD2 LEU 56 1HD2 LEU 56 0.467 7.933 -5.583
422 2HD2 LEU 56 2HD2 LEU 56 0.253 9.093 -6.894
423 3HD2 LEU 56 3HD2 LEU 56 -0.965 8.963 -5.627
424 H VAL 57 H VAL 57 -2.409 7.990 -1.948
425 HA VAL 57 HA VAL 57 -1.745 8.648 0.792
426 HB VAL 57 HB VAL 57 -3.570 6.478 -0.280
427 1HG1 VAL 57 1HG1 VAL 57 -4.526 6.455 1.984
428 2HG1 VAL 57 2HG1 VAL 57 -3.318 7.631 2.507
429 3HG1 VAL 57 3HG1 VAL 57 -2.818 6.017 1.999
430 1HG2 VAL 57 1HG2 VAL 57 -4.320 8.700 -0.961
431 2HG2 VAL 57 2HG2 VAL 57 -4.230 9.259 0.710
432 3HG2 VAL 57 3HG2 VAL 57 -5.403 8.022 0.256
433 H LEU 58 H LEU 58 -0.168 7.699 1.917
434 HA LEU 58 HA LEU 58 0.985 5.171 1.012
435 1HB LEU 58 2HB LEU 58 2.484 7.032 1.620
436 2HB LEU 58 1HB LEU 58 1.821 7.036 3.242
437 HG LEU 58 HG LEU 58 2.691 4.714 3.556
438 1HD1 LEU 58 1HD1 LEU 58 2.793 4.016 1.235
439 2HD1 LEU 58 2HD1 LEU 58 4.383 3.877 1.983
440 3HD1 LEU 58 3HD1 LEU 58 4.032 5.224 0.899
441 1HD2 LEU 58 1HD2 LEU 58 5.041 5.382 3.817
442 2HD2 LEU 58 2HD2 LEU 58 3.932 6.617 4.412
443 3HD2 LEU 58 3HD2 LEU 58 4.732 6.827 2.852
444 H LEU 59 H LEU 59 -0.332 3.509 1.618
445 HA LEU 59 HA LEU 59 -1.658 3.411 4.161
446 1HB LEU 59 2HB LEU 59 -1.208 1.264 2.081
447 2HB LEU 59 1HB LEU 59 -2.212 1.071 3.506
448 HG LEU 59 HG LEU 59 -2.706 3.023 1.252
449 1HD1 LEU 59 1HD1 LEU 59 -4.151 0.484 2.023
450 2HD1 LEU 59 2HD1 LEU 59 -3.136 0.715 0.599
451 3HD1 LEU 59 3HD1 LEU 59 -4.646 1.609 0.757
452 1HD2 LEU 59 1HD2 LEU 59 -4.357 2.436 3.715
453 2HD2 LEU 59 2HD2 LEU 59 -4.832 3.486 2.380
454 3HD2 LEU 59 3HD2 LEU 59 -3.459 3.920 3.396
455 H ALA 60 H ALA 60 -0.503 3.210 5.969
456 HA ALA 60 HA ALA 60 1.757 1.319 6.062
457 1HB ALA 60 1HB ALA 60 0.959 3.464 8.039
458 2HB ALA 60 2HB ALA 60 2.227 3.603 6.822
459 3HB ALA 60 3HB ALA 60 2.393 2.442 8.137
460 H VAL 61 H VAL 61 1.244 -0.675 6.732
461 HA VAL 61 HA VAL 61 -0.763 -0.986 8.891
462 HB VAL 61 HB VAL 61 -0.333 -2.915 6.593
463 1HG1 VAL 61 1HG1 VAL 61 -2.353 -4.027 7.437
464 2HG1 VAL 61 2HG1 VAL 61 -2.419 -2.887 8.781
465 3HG1 VAL 61 3HG1 VAL 61 -1.068 -4.013 8.644
466 1HG2 VAL 61 1HG2 VAL 61 -1.372 -0.859 5.784
467 2HG2 VAL 61 2HG2 VAL 61 -2.605 -0.970 7.040
468 3HG2 VAL 61 3HG2 VAL 61 -2.528 -2.191 5.769
469 H GLU 62 H GLU 62 -0.003 -2.024 10.666
470 HA GLU 62 HA GLU 62 2.601 -3.231 10.676
471 1HB GLU 62 2HB GLU 62 2.039 -3.850 13.044
472 2HB GLU 62 1HB GLU 62 1.940 -2.134 12.683
473 1HG GLU 62 2HG GLU 62 -0.449 -2.201 12.648
474 2HG GLU 62 1HG GLU 62 -0.455 -3.961 12.737
475 H ALA 63 H ALA 63 2.585 -4.936 9.246
476 HA ALA 63 HA ALA 63 0.640 -7.051 9.394
477 1HB ALA 63 1HB ALA 63 3.277 -6.953 7.922
478 2HB ALA 63 2HB ALA 63 1.710 -6.471 7.272
479 3HB ALA 63 3HB ALA 63 2.008 -8.157 7.695
480 H GLU 64 H GLU 64 3.954 -6.569 10.501
481 HA GLU 64 HA GLU 64 5.332 -7.701 11.885
482 1HB GLU 64 2HB GLU 64 2.807 -9.120 12.776
483 2HB GLU 64 1HB GLU 64 4.355 -9.194 13.607
484 1HG GLU 64 2HG GLU 64 2.625 -6.756 13.224
485 2HG GLU 64 1HG GLU 64 2.887 -7.638 14.725
486 HA PRO 65 HA PRO 65 6.754 -11.450 9.913
487 1HB PRO 65 2HB PRO 65 7.249 -12.533 12.651
488 2HB PRO 65 1HB PRO 65 8.353 -12.397 11.277
489 1HG PRO 65 2HG PRO 65 8.532 -10.720 13.344
490 2HG PRO 65 1HG PRO 65 8.787 -10.152 11.683
491 1HD PRO 65 2HD PRO 65 6.409 -9.790 13.465
492 2HD PRO 65 1HD PRO 65 7.118 -8.676 12.283
493 H LEU 66 H LEU 66 4.379 -11.801 9.435
494 HA LEU 66 HA LEU 66 2.807 -13.565 10.994
495 1HB LEU 66 2HB LEU 66 2.661 -12.903 8.048
496 2HB LEU 66 1HB LEU 66 1.441 -13.817 8.917
497 HG LEU 66 HG LEU 66 2.212 -10.952 9.514
498 1HD1 LEU 66 1HD1 LEU 66 0.015 -10.385 8.579
499 2HD1 LEU 66 2HD1 LEU 66 -0.217 -12.070 8.111
500 3HD1 LEU 66 3HD1 LEU 66 1.073 -11.119 7.376
501 1HD2 LEU 66 1HD2 LEU 66 1.430 -12.186 11.491
502 2HD2 LEU 66 2HD2 LEU 66 -0.036 -12.645 10.623
503 3HD2 LEU 66 3HD2 LEU 66 0.276 -10.948 10.994
504 H GLY 67 H GLY 67 4.295 -14.313 7.800
505 1HA GLY 67 2HA GLY 67 5.896 -16.358 8.208
506 2HA GLY 67 1HA GLY 67 4.379 -17.143 8.594
507 H GLU 68 H GLU 68 2.856 -17.516 6.898
508 HA GLU 68 HA GLU 68 4.216 -18.155 4.434
509 1HB GLU 68 2HB GLU 68 2.225 -19.471 3.964
510 2HB GLU 68 1HB GLU 68 2.818 -19.811 5.575
511 1HG GLU 68 2HG GLU 68 1.084 -18.387 6.523
512 2HG GLU 68 1HG GLU 68 0.495 -18.008 4.906
513 H ASP 69 H ASP 69 1.487 -16.109 5.425
514 HA ASP 69 HA ASP 69 0.655 -15.563 2.733
515 1HB ASP 69 2HB ASP 69 -0.964 -14.028 3.792
516 2HB ASP 69 1HB ASP 69 -0.990 -15.633 4.511
517 H LEU 70 H LEU 70 2.321 -13.663 5.247
518 HA LEU 70 HA LEU 70 3.032 -11.609 3.315
519 1HB LEU 70 2HB LEU 70 2.631 -10.996 5.665
520 2HB LEU 70 1HB LEU 70 3.961 -12.025 6.166
521 HG LEU 70 HG LEU 70 5.519 -10.580 4.856
522 1HD1 LEU 70 1HD1 LEU 70 3.941 -9.673 3.239
523 2HD1 LEU 70 2HD1 LEU 70 4.759 -8.376 4.109
524 3HD1 LEU 70 3HD1 LEU 70 3.100 -8.804 4.524
525 1HD2 LEU 70 1HD2 LEU 70 3.892 -9.186 6.981
526 2HD2 LEU 70 2HD2 LEU 70 5.501 -8.709 6.438
527 3HD2 LEU 70 3HD2 LEU 70 5.267 -10.258 7.245
528 H LYS 71 H LYS 71 4.344 -12.412 1.769
529 HA LYS 71 HA LYS 71 6.565 -14.179 2.564
530 1HB LYS 71 2HB LYS 71 4.744 -15.002 0.982
531 2HB LYS 71 1HB LYS 71 5.393 -13.883 -0.205
532 1HG LYS 71 2HG LYS 71 6.241 -16.101 -0.615
533 2HG LYS 71 1HG LYS 71 7.562 -15.052 -0.092
534 1HD LYS 71 2HD LYS 71 7.531 -15.994 2.115
535 2HD LYS 71 1HD LYS 71 6.049 -16.888 1.770
536 1HE LYS 71 2HE LYS 71 8.038 -18.334 1.715
537 2HE LYS 71 1HE LYS 71 7.222 -18.270 0.154
538 1HZ LYS 71 1HZ LYS 71 9.659 -16.745 0.901
539 2HZ LYS 71 2HZ LYS 71 8.878 -16.674 -0.596
540 3HZ LYS 71 3HZ LYS 71 9.610 -18.110 -0.095
541 H TRP 72 H TRP 72 8.301 -12.856 2.903
542 HA TRP 72 HA TRP 72 8.934 -10.649 1.155
543 1HB TRP 72 2HB TRP 72 10.448 -11.962 3.422
544 2HB TRP 72 1HB TRP 72 11.081 -10.597 2.509
545 HD1 TRP 72 HD1 TRP 72 8.255 -11.471 4.984
546 HE1 TRP 72 HE1 TRP 72 7.444 -9.285 6.073
547 HE3 TRP 72 HE3 TRP 72 10.964 -8.134 2.222
548 HZ2 TRP 72 HZ2 TRP 72 7.900 -6.514 5.807
549 HZ3 TRP 72 HZ3 TRP 72 10.727 -5.733 2.700
550 HH2 TRP 72 HH2 TRP 72 9.224 -4.938 4.460
551 H GLU 73 H GLU 73 9.485 -11.177 -0.896
552 HA GLU 73 HA GLU 73 11.559 -13.255 -1.271
553 1HB GLU 73 2HB GLU 73 9.286 -12.512 -3.129
554 2HB GLU 73 1HB GLU 73 10.575 -13.642 -3.527
555 1HG GLU 73 2HG GLU 73 9.865 -15.078 -1.656
556 2HG GLU 73 1HG GLU 73 8.548 -13.957 -1.315
557 H ALA 74 H ALA 74 13.423 -12.184 -1.551
558 HA ALA 74 HA ALA 74 13.645 -9.715 -3.001
559 1HB ALA 74 1HB ALA 74 15.794 -11.623 -2.072
560 2HB ALA 74 2HB ALA 74 15.163 -10.250 -1.161
561 3HB ALA 74 3HB ALA 74 16.053 -9.980 -2.659
562 H SER 75 H SER 75 14.130 -9.392 -5.115
563 HA SER 75 HA SER 75 13.950 -11.572 -6.957
564 1HB SER 75 2HB SER 75 14.740 -8.676 -7.410
565 2HB SER 75 1HB SER 75 14.460 -9.847 -8.699
566 HG SER 75 HG SER 75 12.385 -9.817 -6.959
567 H ARG 76 H ARG 76 15.660 -11.685 -8.810
568 HA ARG 76 HA ARG 76 17.904 -12.950 -7.834
569 1HB ARG 76 2HB ARG 76 18.837 -12.721 -10.156
570 2HB ARG 76 1HB ARG 76 17.207 -13.372 -10.071
571 1HG ARG 76 2HG ARG 76 16.288 -11.195 -10.688
572 2HG ARG 76 1HG ARG 76 17.915 -10.519 -10.750
573 1HD ARG 76 2HD ARG 76 17.068 -11.069 -12.989
574 2HD ARG 76 1HD ARG 76 18.498 -12.014 -12.578
575 HE ARG 76 HE ARG 76 17.227 -13.925 -12.627
576 1HH1 ARG 76 1HH1 ARG 76 15.109 -11.195 -12.645
577 2HH1 ARG 76 2HH1 ARG 76 13.730 -12.143 -13.075
578 1HH2 ARG 76 1HH2 ARG 76 15.442 -15.115 -13.170
579 2HH2 ARG 76 2HH2 ARG 76 13.909 -14.334 -13.352
580 H GLY 77 H GLY 77 18.944 -11.726 -6.228
581 1HA GLY 77 2HA GLY 77 21.024 -10.773 -5.738
582 2HA GLY 77 1HA GLY 77 21.077 -10.082 -7.347
583 H GLY 78 H GLY 78 18.123 -9.430 -5.659
584 1HA GLY 78 2HA GLY 78 18.770 -7.409 -3.907
585 2HA GLY 78 1HA GLY 78 18.808 -6.634 -5.479
586 H ALA 79 H ALA 79 17.165 -5.698 -3.583
587 HA ALA 79 HA ALA 79 15.077 -4.948 -3.198
588 1HB ALA 79 1HB ALA 79 15.135 -4.553 -5.626
589 2HB ALA 79 2HB ALA 79 13.511 -4.866 -5.016
590 3HB ALA 79 3HB ALA 79 14.386 -6.131 -5.881
591 H ARG 80 H ARG 80 14.451 -6.128 -1.435
592 HA ARG 80 HA ARG 80 13.123 -8.694 -1.783
593 1HB ARG 80 2HB ARG 80 12.830 -8.572 0.715
594 2HB ARG 80 1HB ARG 80 14.495 -8.550 0.154
595 1HG ARG 80 2HG ARG 80 14.548 -6.105 0.464
596 2HG ARG 80 1HG ARG 80 12.896 -6.166 1.081
597 1HD ARG 80 2HD ARG 80 14.577 -6.083 2.887
598 2HD ARG 80 1HD ARG 80 13.602 -7.552 2.941
599 HE ARG 80 HE ARG 80 15.815 -8.253 1.498
600 1HH1 ARG 80 1HH1 ARG 80 15.342 -6.880 4.628
601 2HH1 ARG 80 2HH1 ARG 80 16.761 -7.628 5.273
602 1HH2 ARG 80 1HH2 ARG 80 17.603 -9.218 2.357
603 2HH2 ARG 80 2HH2 ARG 80 18.014 -8.950 4.015
604 H PHE 81 H PHE 81 11.149 -8.584 -2.675
605 HA PHE 81 HA PHE 81 9.382 -6.342 -2.082
606 1HB PHE 81 2HB PHE 81 9.089 -8.654 -4.012
607 2HB PHE 81 1HB PHE 81 7.932 -7.338 -3.846
608 HD1 PHE 81 HD1 PHE 81 8.698 -4.982 -4.373
609 HD2 PHE 81 HD2 PHE 81 10.977 -8.439 -5.388
610 HE1 PHE 81 HE1 PHE 81 9.945 -3.670 -6.042
611 HE2 PHE 81 HE2 PHE 81 12.223 -7.129 -7.052
612 HZ PHE 81 HZ PHE 81 11.711 -4.743 -7.381
613 HA PRO 82 HA PRO 82 7.078 -8.799 0.969
614 1HB PRO 82 2HB PRO 82 5.315 -6.425 0.947
615 2HB PRO 82 1HB PRO 82 6.177 -7.166 2.298
616 1HG PRO 82 2HG PRO 82 6.937 -4.804 1.262
617 2HG PRO 82 1HG PRO 82 8.115 -5.974 1.883
618 1HD PRO 82 2HD PRO 82 7.347 -5.386 -0.957
619 2HD PRO 82 1HD PRO 82 8.956 -5.687 -0.263
620 H HIS 83 H HIS 83 6.217 -10.354 -0.444
621 HA HIS 83 HA HIS 83 3.973 -9.630 -2.171
622 1HB HIS 83 2HB HIS 83 5.391 -12.274 -1.737
623 2HB HIS 83 1HB HIS 83 4.080 -12.020 -2.884
624 HD1 HIS 83 HD1 HIS 83 6.762 -12.984 -3.928
625 HD2 HIS 83 HD2 HIS 83 5.729 -8.971 -3.663
626 HE1 HIS 83 HE1 HIS 83 8.208 -11.809 -5.606
627 HE2 HIS 83 HE2 HIS 83 7.373 -9.438 -5.605
628 H LEU 84 H LEU 84 1.994 -9.520 -1.292
629 HA LEU 84 HA LEU 84 1.337 -11.280 0.984
630 1HB LEU 84 2HB LEU 84 1.097 -8.909 1.460
631 2HB LEU 84 1HB LEU 84 0.052 -8.701 0.067
632 HG LEU 84 HG LEU 84 -1.668 -10.103 1.129
633 1HD1 LEU 84 1HD1 LEU 84 -1.445 -10.806 3.463
634 2HD1 LEU 84 2HD1 LEU 84 0.216 -10.214 3.488
635 3HD1 LEU 84 3HD1 LEU 84 -0.222 -11.568 2.445
636 1HD2 LEU 84 1HD2 LEU 84 -0.678 -7.844 2.871
637 2HD2 LEU 84 2HD2 LEU 84 -2.293 -8.550 2.929
638 3HD2 LEU 84 3HD2 LEU 84 -1.754 -7.704 1.478
639 H TYR 85 H TYR 85 0.027 -12.943 0.668
640 HA TYR 85 HA TYR 85 -1.598 -13.047 -1.795
641 1HB TYR 85 2HB TYR 85 -0.627 -15.294 0.001
642 2HB TYR 85 1HB TYR 85 -1.576 -15.504 -1.469
643 HD1 TYR 85 HD1 TYR 85 1.706 -14.354 -0.170
644 HD2 TYR 85 HD2 TYR 85 -0.530 -15.500 -3.613
645 HE1 TYR 85 HE1 TYR 85 3.775 -14.392 -1.496
646 HE2 TYR 85 HE2 TYR 85 1.537 -15.542 -4.945
647 HH TYR 85 HH TYR 85 4.660 -15.341 -3.511
648 H ARG 86 H ARG 86 -2.464 -11.630 0.618
649 HA ARG 86 HA ARG 86 -4.944 -13.131 1.168
650 1HB ARG 86 2HB ARG 86 -3.281 -11.603 3.191
651 2HB ARG 86 1HB ARG 86 -4.896 -12.226 3.502
652 1HG ARG 86 2HG ARG 86 -2.554 -13.952 2.726
653 2HG ARG 86 1HG ARG 86 -3.033 -13.627 4.392
654 1HD ARG 86 2HD ARG 86 -5.135 -14.720 4.081
655 2HD ARG 86 1HD ARG 86 -4.884 -14.836 2.339
656 HE ARG 86 HE ARG 86 -3.232 -16.509 2.728
657 1HH1 ARG 86 1HH1 ARG 86 -4.865 -15.558 5.609
658 2HH1 ARG 86 2HH1 ARG 86 -4.560 -17.060 6.407
659 1HH2 ARG 86 1HH2 ARG 86 -2.857 -18.445 3.769
660 2HH2 ARG 86 2HH2 ARG 86 -3.441 -18.671 5.384
661 HA PRO 87 HA PRO 87 -6.929 -9.204 0.249
662 1HB PRO 87 2HB PRO 87 -9.365 -9.653 1.348
663 2HB PRO 87 1HB PRO 87 -8.842 -10.450 -0.141
664 1HG PRO 87 2HG PRO 87 -8.871 -11.506 2.664
665 2HG PRO 87 1HG PRO 87 -9.359 -12.312 1.161
666 1HD PRO 87 2HD PRO 87 -6.942 -12.725 2.360
667 2HD PRO 87 1HD PRO 87 -7.192 -12.864 0.609
668 H LEU 88 H LEU 88 -6.546 -7.333 1.277
669 HA LEU 88 HA LEU 88 -6.343 -7.275 4.186
670 1HB LEU 88 2HB LEU 88 -4.536 -6.315 2.831
671 2HB LEU 88 1HB LEU 88 -5.667 -5.185 2.110
672 HG LEU 88 HG LEU 88 -6.016 -4.137 4.335
673 1HD1 LEU 88 1HD1 LEU 88 -5.513 -6.060 5.746
674 2HD1 LEU 88 2HD1 LEU 88 -4.510 -4.676 6.183
675 3HD1 LEU 88 3HD1 LEU 88 -3.822 -6.003 5.243
676 1HD2 LEU 88 1HD2 LEU 88 -4.383 -3.175 2.820
677 2HD2 LEU 88 2HD2 LEU 88 -3.142 -4.278 3.414
678 3HD2 LEU 88 3HD2 LEU 88 -3.812 -3.046 4.483
679 H LEU 89 H LEU 89 -8.230 -6.965 5.226
680 HA LEU 89 HA LEU 89 -10.412 -5.427 4.220
681 1HB LEU 89 2HB LEU 89 -9.735 -6.562 6.921
682 2HB LEU 89 1HB LEU 89 -11.117 -5.502 6.724
683 HG LEU 89 HG LEU 89 -11.735 -7.888 6.702
684 1HD1 LEU 89 1HD1 LEU 89 -13.131 -6.260 5.539
685 2HD1 LEU 89 2HD1 LEU 89 -13.147 -7.816 4.710
686 3HD1 LEU 89 3HD1 LEU 89 -12.185 -6.485 4.067
687 1HD2 LEU 89 1HD2 LEU 89 -11.148 -9.333 4.847
688 2HD2 LEU 89 2HD2 LEU 89 -9.680 -8.769 5.645
689 3HD2 LEU 89 3HD2 LEU 89 -10.181 -8.052 4.113
690 H VAL 90 H VAL 90 -11.057 -3.315 4.690
691 HA VAL 90 HA VAL 90 -9.066 -1.387 5.068
692 HB VAL 90 HB VAL 90 -11.417 -1.085 4.066
693 1HG1 VAL 90 1HG1 VAL 90 -13.157 -0.244 5.538
694 2HG1 VAL 90 2HG1 VAL 90 -12.117 -0.490 6.941
695 3HG1 VAL 90 3HG1 VAL 90 -12.689 -1.879 6.013
696 1HG2 VAL 90 1HG2 VAL 90 -11.452 1.303 4.567
697 2HG2 VAL 90 2HG2 VAL 90 -9.811 0.734 4.265
698 3HG2 VAL 90 3HG2 VAL 90 -10.346 1.046 5.917
699 H SER 91 H SER 91 -11.085 -3.045 7.374
700 HA SER 91 HA SER 91 -10.701 -1.435 9.655
701 1HB SER 91 2HB SER 91 -12.428 -3.094 9.700
702 2HB SER 91 1HB SER 91 -11.282 -4.390 9.358
703 HG SER 91 HG SER 91 -10.706 -4.448 11.397
704 H GLU 92 H GLU 92 -8.585 -3.736 8.122
705 HA GLU 92 HA GLU 92 -6.984 -4.155 10.515
706 1HB GLU 92 2HB GLU 92 -6.406 -5.154 7.722
707 2HB GLU 92 1HB GLU 92 -5.775 -5.784 9.237
708 1HG GLU 92 2HG GLU 92 -8.613 -5.956 8.244
709 2HG GLU 92 1HG GLU 92 -7.453 -7.275 8.383
710 H VAL 93 H VAL 93 -7.112 -1.735 8.250
711 HA VAL 93 HA VAL 93 -4.287 -1.330 7.832
712 HB VAL 93 HB VAL 93 -6.612 0.554 7.353
713 1HG1 VAL 93 1HG1 VAL 93 -3.748 0.734 6.393
714 2HG1 VAL 93 2HG1 VAL 93 -4.513 1.784 7.586
715 3HG1 VAL 93 3HG1 VAL 93 -5.065 1.806 5.911
716 1HG2 VAL 93 1HG2 VAL 93 -6.801 -1.450 6.008
717 2HG2 VAL 93 2HG2 VAL 93 -5.124 -1.297 5.484
718 3HG2 VAL 93 3HG2 VAL 93 -6.316 -0.100 4.980
719 H THR 94 H THR 94 -2.885 -0.277 9.111
720 HA THR 94 HA THR 94 -3.653 0.626 11.701
721 HB THR 94 HB THR 94 -0.999 1.080 10.305
722 HG1 THR 94 HG1 THR 94 -2.033 -1.135 11.763
723 1HG2 THR 94 1HG2 THR 94 -1.258 2.458 12.304
724 2HG2 THR 94 2HG2 THR 94 -0.093 1.167 12.603
725 3HG2 THR 94 3HG2 THR 94 -1.733 1.042 13.242
726 H ARG 95 H ARG 95 -2.107 2.449 9.019
727 HA ARG 95 HA ARG 95 -3.802 4.747 9.615
728 1HB ARG 95 2HB ARG 95 -1.920 5.113 11.105
729 2HB ARG 95 1HB ARG 95 -0.785 4.880 9.786
730 1HG ARG 95 2HG ARG 95 -1.504 6.916 8.724
731 2HG ARG 95 1HG ARG 95 -2.807 7.116 9.897
732 1HD ARG 95 2HD ARG 95 -1.170 7.386 11.690
733 2HD ARG 95 1HD ARG 95 0.145 7.141 10.543
734 HE ARG 95 HE ARG 95 -0.521 9.238 9.482
735 1HH1 ARG 95 1HH1 ARG 95 -1.828 8.627 12.607
736 2HH1 ARG 95 2HH1 ARG 95 -1.992 10.306 12.985
737 1HH2 ARG 95 1HH2 ARG 95 -0.735 11.391 9.978
738 2HH2 ARG 95 2HH2 ARG 95 -1.349 11.853 11.528
739 H GLU 96 H GLU 96 -4.056 6.173 7.943
740 HA GLU 96 HA GLU 96 -2.843 5.432 5.354
741 1HB GLU 96 2HB GLU 96 -4.860 6.575 4.351
742 2HB GLU 96 1HB GLU 96 -5.206 5.102 5.247
743 1HG GLU 96 2HG GLU 96 -5.955 6.412 7.158
744 2HG GLU 96 1HG GLU 96 -5.556 7.906 6.309
745 H ALA 97 H ALA 97 -1.137 6.768 5.000
746 HA ALA 97 HA ALA 97 -1.222 9.533 5.916
747 1HB ALA 97 1HB ALA 97 0.975 8.022 4.508
748 2HB ALA 97 2HB ALA 97 0.819 8.240 6.251
749 3HB ALA 97 3HB ALA 97 1.115 9.633 5.210
750 H ASP 98 H ASP 98 -2.779 10.483 4.569
751 HA ASP 98 HA ASP 98 -2.610 10.422 1.716
752 1HB ASP 98 2HB ASP 98 -4.279 12.293 1.847
753 2HB ASP 98 1HB ASP 98 -4.744 10.851 2.743
754 H LEU 99 H LEU 99 -0.942 11.301 0.618
755 HA LEU 99 HA LEU 99 0.079 13.933 1.489
756 1HB LEU 99 2HB LEU 99 1.729 11.574 0.570
757 2HB LEU 99 1HB LEU 99 2.359 13.183 0.865
758 HG LEU 99 HG LEU 99 1.113 11.393 2.962
759 1HD1 LEU 99 1HD1 LEU 99 4.008 12.099 2.470
760 2HD1 LEU 99 2HD1 LEU 99 3.260 10.524 2.206
761 3HD1 LEU 99 3HD1 LEU 99 3.389 11.174 3.839
762 1HD2 LEU 99 1HD2 LEU 99 2.488 14.071 3.219
763 2HD2 LEU 99 2HD2 LEU 99 1.966 13.053 4.561
764 3HD2 LEU 99 3HD2 LEU 99 0.771 13.748 3.467
765 H ASP 100 H ASP 100 -0.767 15.217 -0.144
766 HA ASP 100 HA ASP 100 -0.363 14.664 -2.924
767 1HB ASP 100 2HB ASP 100 -0.914 17.226 -1.410
768 2HB ASP 100 1HB ASP 100 -0.686 17.198 -3.155
769 H LEU 101 H LEU 101 1.331 15.267 -4.271
770 HA LEU 101 HA LEU 101 3.881 15.554 -2.959
771 1HB LEU 101 2HB LEU 101 3.186 15.401 -5.893
772 2HB LEU 101 1HB LEU 101 4.811 15.327 -5.233
773 HG LEU 101 HG LEU 101 2.607 13.308 -4.767
774 1HD1 LEU 101 1HD1 LEU 101 5.169 13.144 -6.350
775 2HD1 LEU 101 2HD1 LEU 101 3.525 13.122 -6.987
776 3HD1 LEU 101 3HD1 LEU 101 4.105 11.782 -5.999
777 1HD2 LEU 101 1HD2 LEU 101 4.321 11.999 -3.583
778 2HD2 LEU 101 2HD2 LEU 101 3.983 13.528 -2.772
779 3HD2 LEU 101 3HD2 LEU 101 5.450 13.349 -3.736
780 H ASP 102 H ASP 102 5.545 17.153 -3.735
781 HA ASP 102 HA ASP 102 4.477 19.725 -4.592
782 1HB ASP 102 2HB ASP 102 3.955 19.603 -2.158
783 2HB ASP 102 1HB ASP 102 5.677 19.438 -1.827
784 H ALA 103 H ALA 103 6.162 21.454 -4.652
785 HA ALA 103 HA ALA 103 8.136 22.296 -5.363
786 1HB ALA 103 1HB ALA 103 10.210 21.401 -4.460
787 2HB ALA 103 2HB ALA 103 9.376 19.931 -3.957
788 3HB ALA 103 3HB ALA 103 8.968 21.473 -3.209
789 H ASP 104 H ASP 104 9.343 18.988 -5.549
790 HA ASP 104 HA ASP 104 9.458 19.221 -8.496
791 1HB ASP 104 2HB ASP 104 11.619 18.873 -7.330
792 2HB ASP 104 1HB ASP 104 10.995 17.384 -6.628
793 H GLY 105 H GLY 105 8.049 17.583 -5.869
794 1HA GLY 105 2HA GLY 105 6.026 16.260 -6.359
795 2HA GLY 105 1HA GLY 105 6.956 15.471 -7.626
796 H VAL 106 H VAL 106 8.738 16.133 -4.756
797 HA VAL 106 HA VAL 106 8.200 13.439 -3.711
798 HB VAL 106 HB VAL 106 11.011 14.463 -4.176
799 1HG1 VAL 106 1HG1 VAL 106 10.840 12.998 -2.226
800 2HG1 VAL 106 2HG1 VAL 106 11.691 12.177 -3.532
801 3HG1 VAL 106 3HG1 VAL 106 10.007 11.778 -3.189
802 1HG2 VAL 106 1HG2 VAL 106 9.947 13.897 -6.305
803 2HG2 VAL 106 2HG2 VAL 106 9.492 12.316 -5.672
804 3HG2 VAL 106 3HG2 VAL 106 11.194 12.718 -5.897
805 HA PRO 107 HA PRO 107 8.789 15.795 0.150
806 1HB PRO 107 2HB PRO 107 6.014 15.372 0.803
807 2HB PRO 107 1HB PRO 107 6.855 16.911 0.614
808 1HG PRO 107 2HG PRO 107 4.888 15.985 -1.090
809 2HG PRO 107 1HG PRO 107 6.117 17.185 -1.528
810 1HD PRO 107 2HD PRO 107 6.045 14.244 -2.111
811 2HD PRO 107 1HD PRO 107 6.572 15.587 -3.150
812 H GLN 108 H GLN 108 5.991 13.626 0.306
813 HA GLN 108 HA GLN 108 5.747 11.403 0.703
814 1HB GLN 108 2HB GLN 108 8.478 11.342 -0.555
815 2HB GLN 108 1HB GLN 108 7.431 9.940 -0.345
816 1HG GLN 108 2HG GLN 108 5.782 10.871 -1.822
817 2HG GLN 108 1HG GLN 108 6.660 12.398 -1.914
818 1HE2 GLN 108 1HE2 GLN 108 6.810 12.290 -4.134
819 2HE2 GLN 108 2HE2 GLN 108 7.857 11.174 -4.940
820 H LEU 109 H LEU 109 8.079 9.617 1.186
821 HA LEU 109 HA LEU 109 7.700 9.392 3.961
822 1HB LEU 109 2HB LEU 109 9.600 8.007 2.082
823 2HB LEU 109 1HB LEU 109 9.504 7.611 3.787
824 HG LEU 109 HG LEU 109 7.128 6.975 3.496
825 1HD1 LEU 109 1HD1 LEU 109 7.639 7.491 0.567
826 2HD1 LEU 109 2HD1 LEU 109 6.551 8.396 1.621
827 3HD1 LEU 109 3HD1 LEU 109 6.206 6.709 1.241
828 1HD2 LEU 109 1HD2 LEU 109 8.895 5.282 3.337
829 2HD2 LEU 109 2HD2 LEU 109 9.003 5.559 1.598
830 3HD2 LEU 109 3HD2 LEU 109 7.525 4.895 2.295
831 H GLY 110 H GLY 110 9.507 11.722 2.622
832 1HA GLY 110 2HA GLY 110 12.028 11.692 3.771
833 2HA GLY 110 1HA GLY 110 11.097 13.150 3.480
834 H ASP 111 H ASP 111 8.968 12.206 5.379
835 HA ASP 111 HA ASP 111 10.313 12.892 7.900
836 1HB ASP 111 2HB ASP 111 8.067 13.358 8.748
837 2HB ASP 111 1HB ASP 111 8.324 14.199 7.221
838 H HIS 112 H HIS 112 8.632 10.263 6.326
839 HA HIS 112 HA HIS 112 8.028 8.712 8.624
840 1HB HIS 112 2HB HIS 112 8.283 8.036 5.693
841 2HB HIS 112 1HB HIS 112 7.793 6.856 6.903
842 HD1 HIS 112 HD1 HIS 112 6.631 10.399 6.016
843 HD2 HIS 112 HD2 HIS 112 5.157 6.648 6.944
844 HE1 HIS 112 HE1 HIS 112 4.142 10.637 5.947
845 HE2 HIS 112 HE2 HIS 112 3.279 8.422 6.770
846 H LEU 113 H LEU 113 10.859 8.857 6.512
847 HA LEU 113 HA LEU 113 12.046 6.562 7.933
848 1HB LEU 113 2HB LEU 113 12.934 7.812 5.326
849 2HB LEU 113 1HB LEU 113 13.551 6.333 6.041
850 HG LEU 113 HG LEU 113 10.784 6.766 4.896
851 1HD1 LEU 113 1HD1 LEU 113 13.069 5.015 3.995
852 2HD1 LEU 113 2HD1 LEU 113 12.502 6.485 3.203
853 3HD1 LEU 113 3HD1 LEU 113 11.462 5.063 3.271
854 1HD2 LEU 113 1HD2 LEU 113 10.609 5.332 6.847
855 2HD2 LEU 113 2HD2 LEU 113 11.925 4.319 6.251
856 3HD2 LEU 113 3HD2 LEU 113 10.396 4.384 5.375
857 H ALA 114 H ALA 114 14.452 6.670 8.231
858 HA ALA 114 HA ALA 114 16.308 7.571 9.175
859 1HB ALA 114 1HB ALA 114 15.422 10.143 7.863
860 2HB ALA 114 2HB ALA 114 16.399 8.887 7.103
861 3HB ALA 114 3HB ALA 114 17.035 9.784 8.481
862 H LEU 115 H LEU 115 13.653 7.692 10.577
863 HA LEU 115 HA LEU 115 13.660 10.034 12.197
864 1HB LEU 115 2HB LEU 115 11.971 8.943 13.571
865 2HB LEU 115 1HB LEU 115 11.585 8.834 11.868
866 HG LEU 115 HG LEU 115 12.812 6.542 13.421
867 1HD1 LEU 115 1HD1 LEU 115 10.573 5.602 13.592
868 2HD1 LEU 115 2HD1 LEU 115 9.890 7.047 12.845
869 3HD1 LEU 115 3HD1 LEU 115 10.665 7.152 14.426
870 1HD2 LEU 115 1HD2 LEU 115 11.905 5.187 11.575
871 2HD2 LEU 115 2HD2 LEU 115 13.086 6.368 11.013
872 3HD2 LEU 115 3HD2 LEU 115 11.363 6.661 10.769
873 H GLU 116 H GLU 116 15.960 9.968 12.716
874 HA GLU 116 HA GLU 116 16.971 8.125 14.664
875 1HB GLU 116 2HB GLU 116 18.505 9.308 13.191
876 2HB GLU 116 1HB GLU 116 17.926 10.862 13.773
877 1HG GLU 116 2HG GLU 116 18.807 10.276 16.030
878 2HG GLU 116 1HG GLU 116 19.505 8.817 15.327
Start of MODEL 6
1 1H MET 1 1H MET 1 8.938 -4.654 14.425
2 2H MET 1 2H MET 1 8.337 -3.924 15.823
3 3H MET 1 3H MET 1 9.601 -3.196 14.971
4 HA MET 1 HA MET 1 6.850 -3.609 13.957
5 1HB MET 1 2HB MET 1 8.233 -1.073 14.881
6 2HB MET 1 1HB MET 1 6.644 -1.144 14.129
7 1HG MET 1 2HG MET 1 5.814 -2.475 16.005
8 2HG MET 1 1HG MET 1 7.405 -2.402 16.760
9 1HE MET 1 1HE MET 1 5.243 -0.095 19.066
10 2HE MET 1 2HE MET 1 6.352 -1.465 19.008
11 3HE MET 1 3HE MET 1 4.755 -1.592 18.269
12 H THR 2 H THR 2 7.676 -4.500 12.005
13 HA THR 2 HA THR 2 9.452 -2.864 10.365
14 HB THR 2 HB THR 2 8.048 -5.456 9.648
15 HG1 THR 2 HG1 THR 2 9.734 -6.487 10.480
16 1HG2 THR 2 1HG2 THR 2 9.761 -5.613 7.879
17 2HG2 THR 2 2HG2 THR 2 10.362 -4.018 8.327
18 3HG2 THR 2 3HG2 THR 2 8.734 -4.194 7.671
19 H LEU 3 H LEU 3 8.508 -1.099 9.480
20 HA LEU 3 HA LEU 3 5.736 -1.147 8.624
21 1HB LEU 3 2HB LEU 3 7.868 0.972 8.681
22 2HB LEU 3 1HB LEU 3 6.380 1.227 7.793
23 HG LEU 3 HG LEU 3 6.272 2.272 9.991
24 1HD1 LEU 3 1HD1 LEU 3 4.456 -0.130 9.806
25 2HD1 LEU 3 2HD1 LEU 3 4.208 1.418 8.998
26 3HD1 LEU 3 3HD1 LEU 3 4.166 1.327 10.759
27 1HD2 LEU 3 1HD2 LEU 3 7.807 0.818 11.206
28 2HD2 LEU 3 2HD2 LEU 3 6.645 -0.508 11.112
29 3HD2 LEU 3 3HD2 LEU 3 6.259 0.939 12.043
30 H ILE 4 H ILE 4 5.176 -2.003 6.735
31 HA ILE 4 HA ILE 4 6.957 -1.648 4.411
32 HB ILE 4 HB ILE 4 5.519 -3.378 3.299
33 1HG1 ILE 4 2HG1 ILE 4 4.401 -3.715 6.102
34 2HG1 ILE 4 1HG1 ILE 4 3.503 -3.163 4.693
35 1HG2 ILE 4 1HG2 ILE 4 7.681 -3.941 4.270
36 2HG2 ILE 4 2HG2 ILE 4 6.544 -5.272 4.479
37 3HG2 ILE 4 3HG2 ILE 4 6.926 -4.217 5.840
38 1HD1 ILE 4 1HD1 ILE 4 4.713 -5.896 5.062
39 2HD1 ILE 4 2HD1 ILE 4 3.825 -5.346 3.641
40 3HD1 ILE 4 3HD1 ILE 4 3.006 -5.478 5.197
41 H TYR 5 H TYR 5 6.343 -0.433 2.694
42 HA TYR 5 HA TYR 5 3.910 1.182 3.134
43 1HB TYR 5 2HB TYR 5 6.353 2.076 1.609
44 2HB TYR 5 1HB TYR 5 5.077 3.068 2.301
45 HD1 TYR 5 HD2 TYR 5 8.068 1.052 3.065
46 HD2 TYR 5 HD1 TYR 5 5.172 3.768 4.612
47 HE1 TYR 5 HE2 TYR 5 9.464 1.399 5.056
48 HE2 TYR 5 HE1 TYR 5 6.567 4.121 6.607
49 HH TYR 5 HH TYR 5 9.804 3.102 6.790
50 H LYS 6 H LYS 6 2.767 2.018 1.308
51 HA LYS 6 HA LYS 6 3.675 1.512 -1.368
52 1HB LYS 6 2HB LYS 6 2.618 -0.634 -1.077
53 2HB LYS 6 1HB LYS 6 1.167 0.112 -0.416
54 1HG LYS 6 2HG LYS 6 0.654 1.119 -2.556
55 2HG LYS 6 1HG LYS 6 2.167 0.526 -3.234
56 1HD LYS 6 2HD LYS 6 0.254 -0.825 -3.954
57 2HD LYS 6 1HD LYS 6 1.395 -1.772 -3.004
58 1HE LYS 6 2HE LYS 6 -1.016 -0.500 -1.736
59 2HE LYS 6 1HE LYS 6 -1.124 -2.060 -2.545
60 1HZ LYS 6 1HZ LYS 6 -0.759 -2.371 -0.204
61 2HZ LYS 6 2HZ LYS 6 0.625 -1.402 -0.239
62 3HZ LYS 6 3HZ LYS 6 0.614 -2.883 -1.051
63 H ILE 7 H ILE 7 2.918 3.023 -2.772
64 HA ILE 7 HA ILE 7 1.059 5.033 -1.716
65 HB ILE 7 HB ILE 7 2.858 5.121 -4.153
66 1HG1 ILE 7 2HG1 ILE 7 3.125 6.454 -1.439
67 2HG1 ILE 7 1HG1 ILE 7 4.112 5.122 -2.034
68 1HG2 ILE 7 1HG2 ILE 7 2.322 7.509 -4.250
69 2HG2 ILE 7 2HG2 ILE 7 1.203 7.315 -2.899
70 3HG2 ILE 7 3HG2 ILE 7 0.871 6.521 -4.440
71 1HD1 ILE 7 1HD1 ILE 7 4.012 7.904 -3.183
72 2HD1 ILE 7 2HD1 ILE 7 4.997 6.573 -3.792
73 3HD1 ILE 7 3HD1 ILE 7 5.298 7.229 -2.184
74 H LEU 8 H LEU 8 -0.895 5.503 -2.668
75 HA LEU 8 HA LEU 8 -1.520 4.562 -5.342
76 1HB LEU 8 2HB LEU 8 -3.454 3.285 -4.807
77 2HB LEU 8 1HB LEU 8 -2.140 2.653 -3.838
78 HG LEU 8 HG LEU 8 -4.273 4.531 -2.801
79 1HD1 LEU 8 1HD1 LEU 8 -5.231 2.381 -3.434
80 2HD1 LEU 8 2HD1 LEU 8 -5.210 2.576 -1.683
81 3HD1 LEU 8 3HD1 LEU 8 -4.016 1.543 -2.469
82 1HD2 LEU 8 1HD2 LEU 8 -2.175 4.678 -1.560
83 2HD2 LEU 8 2HD2 LEU 8 -2.166 2.927 -1.346
84 3HD2 LEU 8 3HD2 LEU 8 -3.428 3.903 -0.592
85 H SER 9 H SER 9 -3.637 5.431 -6.117
86 HA SER 9 HA SER 9 -3.949 8.171 -5.329
87 1HB SER 9 2HB SER 9 -4.258 7.592 -7.652
88 2HB SER 9 1HB SER 9 -5.539 6.452 -7.246
89 HG SER 9 HG SER 9 -6.373 8.457 -7.988
90 H ARG 10 H ARG 10 -5.719 9.205 -4.387
91 HA ARG 10 HA ARG 10 -7.111 8.002 -2.313
92 1HB ARG 10 2HB ARG 10 -7.835 10.431 -3.967
93 2HB ARG 10 1HB ARG 10 -8.699 9.965 -2.509
94 1HG ARG 10 2HG ARG 10 -5.745 10.556 -2.569
95 2HG ARG 10 1HG ARG 10 -6.979 11.761 -2.213
96 1HD ARG 10 2HD ARG 10 -6.406 9.242 -0.658
97 2HD ARG 10 1HD ARG 10 -6.062 10.895 -0.149
98 HE ARG 10 HE ARG 10 -8.757 9.744 -0.462
99 1HH1 ARG 10 1HH1 ARG 10 -6.617 12.026 0.977
100 2HH1 ARG 10 2HH1 ARG 10 -7.819 12.623 2.064
101 1HH2 ARG 10 1HH2 ARG 10 -10.279 10.497 0.935
102 2HH2 ARG 10 2HH2 ARG 10 -9.867 11.764 2.049
103 H ALA 11 H ALA 11 -8.121 8.413 -5.689
104 HA ALA 11 HA ALA 11 -10.764 7.517 -5.472
105 1HB ALA 11 1HB ALA 11 -8.857 7.237 -7.797
106 2HB ALA 11 2HB ALA 11 -9.935 8.597 -7.476
107 3HB ALA 11 3HB ALA 11 -10.606 7.018 -7.882
108 H GLU 12 H GLU 12 -7.793 5.723 -5.389
109 HA GLU 12 HA GLU 12 -9.109 3.142 -5.738
110 1HB GLU 12 2HB GLU 12 -6.237 3.712 -4.948
111 2HB GLU 12 1HB GLU 12 -6.886 2.193 -5.549
112 1HG GLU 12 2HG GLU 12 -6.746 4.752 -7.140
113 2HG GLU 12 1HG GLU 12 -5.565 3.447 -7.222
114 H TRP 13 H TRP 13 -7.374 4.921 -3.204
115 HA TRP 13 HA TRP 13 -7.649 2.991 -1.164
116 1HB TRP 13 2HB TRP 13 -5.943 4.709 -1.064
117 2HB TRP 13 1HB TRP 13 -7.164 5.974 -1.022
118 HD1 TRP 13 HD1 TRP 13 -7.070 7.011 1.313
119 HE1 TRP 13 HE1 TRP 13 -6.993 6.117 3.730
120 HE3 TRP 13 HE3 TRP 13 -6.728 1.996 0.337
121 HZ2 TRP 13 HZ2 TRP 13 -6.818 3.640 5.044
122 HZ3 TRP 13 HZ3 TRP 13 -6.613 0.432 2.236
123 HH2 TRP 13 HH2 TRP 13 -6.659 1.242 4.540
124 H ASP 14 H ASP 14 -9.418 6.080 -1.572
125 HA ASP 14 HA ASP 14 -11.297 5.698 0.445
126 1HB ASP 14 2HB ASP 14 -11.499 7.233 -2.150
127 2HB ASP 14 1HB ASP 14 -12.689 7.341 -0.856
128 H ALA 15 H ALA 15 -11.349 4.535 -2.900
129 HA ALA 15 HA ALA 15 -13.945 3.429 -2.908
130 1HB ALA 15 1HB ALA 15 -12.597 3.651 -4.941
131 2HB ALA 15 2HB ALA 15 -13.147 1.990 -4.719
132 3HB ALA 15 3HB ALA 15 -11.479 2.426 -4.341
133 H ALA 16 H ALA 16 -10.823 2.103 -1.880
134 HA ALA 16 HA ALA 16 -11.737 -0.448 -1.076
135 1HB ALA 16 1HB ALA 16 -9.387 1.132 -0.021
136 2HB ALA 16 2HB ALA 16 -9.367 0.081 -1.437
137 3HB ALA 16 3HB ALA 16 -9.643 -0.604 0.164
138 H LYS 17 H LYS 17 -11.417 2.618 0.700
139 HA LYS 17 HA LYS 17 -12.149 1.639 3.244
140 1HB LYS 17 2HB LYS 17 -12.462 4.425 2.103
141 2HB LYS 17 1HB LYS 17 -12.653 4.010 3.802
142 1HG LYS 17 2HG LYS 17 -10.277 3.163 3.745
143 2HG LYS 17 1HG LYS 17 -10.142 3.893 2.144
144 1HD LYS 17 2HD LYS 17 -10.852 5.366 4.690
145 2HD LYS 17 1HD LYS 17 -9.264 5.363 3.925
146 1HE LYS 17 2HE LYS 17 -10.209 6.436 1.942
147 2HE LYS 17 1HE LYS 17 -11.812 6.404 2.681
148 1HZ LYS 17 1HZ LYS 17 -10.817 8.564 2.951
149 2HZ LYS 17 2HZ LYS 17 -9.451 7.898 3.690
150 3HZ LYS 17 3HZ LYS 17 -10.951 7.822 4.463
151 H ALA 18 H ALA 18 -14.110 2.907 0.572
152 HA ALA 18 HA ALA 18 -16.598 3.012 1.842
153 1HB ALA 18 1HB ALA 18 -17.579 2.812 -0.385
154 2HB ALA 18 2HB ALA 18 -16.039 2.241 -1.027
155 3HB ALA 18 3HB ALA 18 -16.184 3.890 -0.415
156 H GLN 19 H GLN 19 -14.949 0.285 0.312
157 HA GLN 19 HA GLN 19 -17.064 -1.569 1.136
158 1HB GLN 19 2HB GLN 19 -15.762 -3.230 -0.197
159 2HB GLN 19 1HB GLN 19 -16.303 -1.839 -1.127
160 1HG GLN 19 2HG GLN 19 -14.035 -0.852 -0.853
161 2HG GLN 19 1HG GLN 19 -13.526 -2.350 -0.077
162 1HE2 GLN 19 1HE2 GLN 19 -11.990 -2.703 -1.699
163 2HE2 GLN 19 2HE2 GLN 19 -12.443 -3.272 -3.265
164 H GLY 20 H GLY 20 -14.447 -0.264 2.586
165 1HA GLY 20 2HA GLY 20 -13.333 -0.780 4.527
166 2HA GLY 20 1HA GLY 20 -14.396 -2.163 4.694
167 H ARG 21 H ARG 21 -12.784 -2.314 1.719
168 HA ARG 21 HA ARG 21 -10.605 -3.953 2.847
169 1HB ARG 21 2HB ARG 21 -12.530 -4.896 0.702
170 2HB ARG 21 1HB ARG 21 -11.114 -5.776 1.262
171 1HG ARG 21 2HG ARG 21 -12.094 -6.091 3.430
172 2HG ARG 21 1HG ARG 21 -13.451 -5.041 3.017
173 1HD ARG 21 2HD ARG 21 -14.136 -6.634 1.270
174 2HD ARG 21 1HD ARG 21 -12.788 -7.684 1.711
175 HE ARG 21 HE ARG 21 -14.113 -8.520 3.349
176 1HH1 ARG 21 1HH1 ARG 21 -15.160 -5.283 2.751
177 2HH1 ARG 21 2HH1 ARG 21 -16.457 -5.383 3.886
178 1HH2 ARG 21 1HH2 ARG 21 -15.808 -8.621 4.786
179 2HH2 ARG 21 2HH2 ARG 21 -16.832 -7.244 4.999
180 H PHE 22 H PHE 22 -8.705 -3.563 1.841
181 HA PHE 22 HA PHE 22 -8.687 -2.444 -0.868
182 1HB PHE 22 2HB PHE 22 -7.192 -1.388 0.766
183 2HB PHE 22 1HB PHE 22 -6.411 -2.936 1.079
184 HD1 PHE 22 HD1 PHE 22 -7.170 -0.624 -1.758
185 HD2 PHE 22 HD2 PHE 22 -4.454 -3.436 -0.058
186 HE1 PHE 22 HE1 PHE 22 -5.580 -0.191 -3.585
187 HE2 PHE 22 HE2 PHE 22 -2.860 -2.998 -1.879
188 HZ PHE 22 HZ PHE 22 -3.421 -1.377 -3.643
189 H GLU 23 H GLU 23 -8.723 -3.846 -2.512
190 HA GLU 23 HA GLU 23 -7.882 -6.625 -2.018
191 1HB GLU 23 2HB GLU 23 -9.721 -5.479 -4.130
192 2HB GLU 23 1HB GLU 23 -9.368 -7.189 -3.900
193 1HG GLU 23 2HG GLU 23 -10.408 -7.163 -1.721
194 2HG GLU 23 1HG GLU 23 -10.657 -5.421 -1.819
195 H GLY 24 H GLY 24 -6.855 -3.865 -3.700
196 1HA GLY 24 2HA GLY 24 -4.868 -3.632 -4.901
197 2HA GLY 24 1HA GLY 24 -4.729 -5.381 -4.975
198 H SER 25 H SER 25 -4.086 -3.985 -7.209
199 HA SER 25 HA SER 25 -6.437 -3.800 -8.950
200 1HB SER 25 2HB SER 25 -4.999 -2.756 -10.563
201 2HB SER 25 1HB SER 25 -4.590 -2.065 -8.994
202 HG SER 25 HG SER 25 -2.774 -3.413 -8.915
203 H ALA 26 H ALA 26 -6.115 -4.682 -11.255
204 HA ALA 26 HA ALA 26 -5.969 -7.461 -11.266
205 1HB ALA 26 1HB ALA 26 -5.889 -7.298 -13.715
206 2HB ALA 26 2HB ALA 26 -5.512 -5.579 -13.589
207 3HB ALA 26 3HB ALA 26 -7.071 -6.184 -13.028
208 H VAL 27 H VAL 27 -3.432 -5.078 -11.747
209 HA VAL 27 HA VAL 27 -1.394 -6.778 -12.711
210 HB VAL 27 HB VAL 27 -1.081 -4.291 -11.007
211 1HG1 VAL 27 1HG1 VAL 27 1.139 -4.110 -12.067
212 2HG1 VAL 27 2HG1 VAL 27 0.876 -5.662 -12.863
213 3HG1 VAL 27 3HG1 VAL 27 0.981 -5.579 -11.104
214 1HG2 VAL 27 1HG2 VAL 27 -1.187 -4.565 -14.019
215 2HG2 VAL 27 2HG2 VAL 27 -0.839 -3.080 -13.131
216 3HG2 VAL 27 3HG2 VAL 27 -2.426 -3.837 -12.995
217 H ASP 28 H ASP 28 -2.249 -5.802 -9.380
218 HA ASP 28 HA ASP 28 -0.255 -7.188 -8.013
219 1HB ASP 28 2HB ASP 28 -3.109 -6.603 -7.187
220 2HB ASP 28 1HB ASP 28 -1.877 -7.225 -6.093
221 H LEU 29 H LEU 29 -3.528 -8.330 -8.855
222 HA LEU 29 HA LEU 29 -3.219 -10.947 -7.856
223 1HB LEU 29 2HB LEU 29 -5.055 -9.769 -9.928
224 2HB LEU 29 1HB LEU 29 -5.108 -11.472 -9.520
225 HG LEU 29 HG LEU 29 -5.648 -10.886 -7.175
226 1HD1 LEU 29 1HD1 LEU 29 -6.289 -8.606 -6.591
227 2HD1 LEU 29 2HD1 LEU 29 -5.784 -8.045 -8.186
228 3HD1 LEU 29 3HD1 LEU 29 -4.590 -8.689 -7.059
229 1HD2 LEU 29 1HD2 LEU 29 -7.489 -9.681 -9.242
230 2HD2 LEU 29 2HD2 LEU 29 -7.943 -10.131 -7.597
231 3HD2 LEU 29 3HD2 LEU 29 -7.439 -11.373 -8.743
232 H ALA 30 H ALA 30 -2.419 -9.565 -11.003
233 HA ALA 30 HA ALA 30 -1.926 -12.045 -12.328
234 1HB ALA 30 1HB ALA 30 -0.891 -9.289 -13.008
235 2HB ALA 30 2HB ALA 30 -2.427 -9.972 -13.542
236 3HB ALA 30 3HB ALA 30 -0.909 -10.690 -14.081
237 H ASP 31 H ASP 31 0.082 -9.847 -10.469
238 HA ASP 31 HA ASP 31 2.562 -11.187 -11.151
239 1HB ASP 31 2HB ASP 31 2.447 -8.746 -10.809
240 2HB ASP 31 1HB ASP 31 1.950 -9.002 -9.142
241 H GLY 32 H GLY 32 0.745 -10.639 -8.121
242 1HA GLY 32 2HA GLY 32 0.798 -13.174 -7.073
243 2HA GLY 32 1HA GLY 32 2.351 -12.486 -6.621
244 H PHE 33 H PHE 33 -1.047 -11.426 -6.693
245 HA PHE 33 HA PHE 33 -2.397 -10.456 -5.163
246 1HB PHE 33 2HB PHE 33 -0.449 -11.779 -3.280
247 2HB PHE 33 1HB PHE 33 -1.829 -10.855 -2.699
248 HD1 PHE 33 HD1 PHE 33 -4.090 -11.670 -2.989
249 HD2 PHE 33 HD2 PHE 33 -0.758 -13.922 -4.385
250 HE1 PHE 33 HE1 PHE 33 -5.531 -13.647 -3.225
251 HE2 PHE 33 HE2 PHE 33 -2.196 -15.905 -4.619
252 HZ PHE 33 HZ PHE 33 -4.584 -15.769 -4.040
253 H ILE 34 H ILE 34 -2.022 -9.063 -2.822
254 HA ILE 34 HA ILE 34 -1.476 -6.538 -3.846
255 HB ILE 34 HB ILE 34 -1.542 -7.399 -0.943
256 1HG1 ILE 34 2HG1 ILE 34 -3.698 -6.250 -2.749
257 2HG1 ILE 34 1HG1 ILE 34 -3.604 -7.919 -2.197
258 1HG2 ILE 34 1HG2 ILE 34 -1.792 -4.631 -2.143
259 2HG2 ILE 34 2HG2 ILE 34 -0.442 -5.232 -1.178
260 3HG2 ILE 34 3HG2 ILE 34 -2.033 -5.040 -0.443
261 1HD1 ILE 34 1HD1 ILE 34 -5.245 -6.649 -0.937
262 2HD1 ILE 34 2HD1 ILE 34 -3.997 -5.506 -0.442
263 3HD1 ILE 34 3HD1 ILE 34 -3.922 -7.184 0.101
264 H HIS 35 H HIS 35 0.306 -5.422 -4.215
265 HA HIS 35 HA HIS 35 2.903 -6.401 -3.323
266 1HB HIS 35 2HB HIS 35 2.173 -4.031 -5.063
267 2HB HIS 35 1HB HIS 35 3.805 -4.628 -4.789
268 HD1 HIS 35 HD1 HIS 35 1.458 -7.386 -5.225
269 HD2 HIS 35 HD2 HIS 35 3.668 -4.892 -7.702
270 HE1 HIS 35 HE1 HIS 35 1.545 -8.548 -7.436
271 HE2 HIS 35 HE2 HIS 35 2.741 -6.941 -8.966
272 H LEU 36 H LEU 36 4.301 -5.347 -1.929
273 HA LEU 36 HA LEU 36 3.749 -2.561 -1.220
274 1HB LEU 36 2HB LEU 36 4.373 -4.687 0.849
275 2HB LEU 36 1HB LEU 36 4.328 -2.963 1.156
276 HG LEU 36 HG LEU 36 1.836 -3.287 0.162
277 1HD1 LEU 36 1HD1 LEU 36 0.836 -5.323 1.055
278 2HD1 LEU 36 2HD1 LEU 36 2.429 -5.901 1.545
279 3HD1 LEU 36 3HD1 LEU 36 2.056 -5.685 -0.165
280 1HD2 LEU 36 1HD2 LEU 36 1.031 -3.296 2.465
281 2HD2 LEU 36 2HD2 LEU 36 2.395 -2.196 2.268
282 3HD2 LEU 36 3HD2 LEU 36 2.631 -3.770 3.033
283 H SER 37 H SER 37 5.774 -1.751 0.166
284 HA SER 37 HA SER 37 8.250 -2.894 -0.928
285 1HB SER 37 2HB SER 37 7.358 -0.024 -1.303
286 2HB SER 37 1HB SER 37 9.014 -0.567 -1.557
287 HG SER 37 HG SER 37 7.638 -0.501 -3.476
288 H ALA 38 H ALA 38 10.215 -2.129 0.110
289 HA ALA 38 HA ALA 38 9.900 -1.638 2.931
290 1HB ALA 38 1HB ALA 38 12.410 -1.759 1.256
291 2HB ALA 38 2HB ALA 38 11.656 -3.118 2.091
292 3HB ALA 38 3HB ALA 38 12.337 -1.781 3.019
293 H GLY 39 H GLY 39 11.849 0.036 3.728
294 1HA GLY 39 2HA GLY 39 10.726 2.556 3.611
295 2HA GLY 39 1HA GLY 39 12.397 2.250 4.045
296 H GLU 40 H GLU 40 13.935 2.024 2.158
297 HA GLU 40 HA GLU 40 13.735 4.292 0.471
298 1HB GLU 40 2HB GLU 40 15.588 1.902 0.276
299 2HB GLU 40 1HB GLU 40 15.762 3.379 -0.658
300 1HG GLU 40 2HG GLU 40 17.306 3.448 1.158
301 2HG GLU 40 1HG GLU 40 16.043 4.639 1.461
302 H GLN 41 H GLN 41 12.912 0.920 0.021
303 HA GLN 41 HA GLN 41 12.758 0.867 -2.796
304 1HB GLN 41 2HB GLN 41 12.773 -1.096 -1.141
305 2HB GLN 41 1HB GLN 41 11.048 -0.811 -0.957
306 1HG GLN 41 2HG GLN 41 10.706 -1.234 -3.327
307 2HG GLN 41 1HG GLN 41 12.441 -1.462 -3.552
308 1HE2 GLN 41 1HE2 GLN 41 9.500 -2.868 -2.398
309 2HE2 GLN 41 2HE2 GLN 41 10.143 -4.440 -2.080
310 H ALA 42 H ALA 42 10.485 1.950 -0.346
311 HA ALA 42 HA ALA 42 8.176 2.147 -1.963
312 1HB ALA 42 1HB ALA 42 8.096 2.303 0.476
313 2HB ALA 42 2HB ALA 42 7.352 3.717 -0.270
314 3HB ALA 42 3HB ALA 42 8.973 3.830 0.416
315 H GLN 43 H GLN 43 10.767 4.485 -1.259
316 HA GLN 43 HA GLN 43 9.747 6.563 -2.898
317 1HB GLN 43 2HB GLN 43 11.416 6.950 -1.126
318 2HB GLN 43 1HB GLN 43 12.607 6.037 -2.042
319 1HG GLN 43 2HG GLN 43 12.627 7.694 -3.782
320 2HG GLN 43 1HG GLN 43 11.289 8.562 -3.033
321 1HE2 GLN 43 1HE2 GLN 43 11.683 9.832 -1.230
322 2HE2 GLN 43 2HE2 GLN 43 13.277 10.273 -0.741
323 H GLU 44 H GLU 44 11.931 3.857 -3.529
324 HA GLU 44 HA GLU 44 12.611 4.374 -6.182
325 1HB GLU 44 2HB GLU 44 13.585 2.513 -4.951
326 2HB GLU 44 1HB GLU 44 12.013 1.748 -4.787
327 1HG GLU 44 2HG GLU 44 13.059 0.521 -6.455
328 2HG GLU 44 1HG GLU 44 12.005 1.616 -7.341
329 H THR 45 H THR 45 9.793 2.543 -4.943
330 HA THR 45 HA THR 45 8.486 2.126 -7.386
331 HB THR 45 HB THR 45 7.127 2.604 -4.718
332 HG1 THR 45 HG1 THR 45 8.694 0.519 -5.629
333 1HG2 THR 45 1HG2 THR 45 5.597 2.590 -6.645
334 2HG2 THR 45 2HG2 THR 45 5.360 1.168 -5.628
335 3HG2 THR 45 3HG2 THR 45 6.246 1.028 -7.147
336 H ALA 46 H ALA 46 8.384 4.890 -5.173
337 HA ALA 46 HA ALA 46 6.339 6.341 -6.471
338 1HB ALA 46 1HB ALA 46 7.075 6.843 -4.192
339 2HB ALA 46 2HB ALA 46 7.143 8.274 -5.220
340 3HB ALA 46 3HB ALA 46 8.627 7.409 -4.814
341 H ALA 47 H ALA 47 9.898 6.555 -6.804
342 HA ALA 47 HA ALA 47 9.867 8.732 -8.613
343 1HB ALA 47 1HB ALA 47 11.823 8.163 -7.285
344 2HB ALA 47 2HB ALA 47 12.222 8.192 -9.004
345 3HB ALA 47 3HB ALA 47 12.006 6.650 -8.173
346 H LYS 48 H LYS 48 9.355 5.354 -9.115
347 HA LYS 48 HA LYS 48 9.777 5.569 -12.002
348 1HB LYS 48 2HB LYS 48 9.492 3.287 -10.069
349 2HB LYS 48 1HB LYS 48 9.291 3.025 -11.789
350 1HG LYS 48 2HG LYS 48 11.538 3.777 -12.227
351 2HG LYS 48 1HG LYS 48 11.751 4.227 -10.535
352 1HD LYS 48 2HD LYS 48 11.776 1.978 -9.824
353 2HD LYS 48 1HD LYS 48 11.096 1.400 -11.346
354 1HE LYS 48 2HE LYS 48 13.505 0.894 -11.106
355 2HE LYS 48 1HE LYS 48 13.150 1.895 -12.510
356 1HZ LYS 48 1HZ LYS 48 15.102 2.673 -11.341
357 2HZ LYS 48 2HZ LYS 48 14.214 2.870 -9.918
358 3HZ LYS 48 3HZ LYS 48 13.876 3.833 -11.263
359 H TRP 49 H TRP 49 7.185 4.812 -9.675
360 HA TRP 49 HA TRP 49 5.320 4.447 -11.931
361 1HB TRP 49 2HB TRP 49 5.234 3.326 -9.127
362 2HB TRP 49 1HB TRP 49 3.938 3.135 -10.304
363 HD1 TRP 49 HD1 TRP 49 7.509 1.949 -9.561
364 HE1 TRP 49 HE1 TRP 49 7.994 -0.136 -10.995
365 HE3 TRP 49 HE3 TRP 49 3.294 1.958 -12.459
366 HZ2 TRP 49 HZ2 TRP 49 6.753 -1.587 -13.065
367 HZ3 TRP 49 HZ3 TRP 49 3.020 0.182 -14.143
368 HH2 TRP 49 HH2 TRP 49 4.717 -1.554 -14.438
369 H PHE 50 H PHE 50 5.913 6.517 -9.228
370 HA PHE 50 HA PHE 50 3.232 7.715 -9.551
371 1HB PHE 50 2HB PHE 50 4.642 7.204 -6.918
372 2HB PHE 50 1HB PHE 50 3.135 8.098 -7.102
373 HD1 PHE 50 HD1 PHE 50 1.112 6.883 -8.016
374 HD2 PHE 50 HD2 PHE 50 4.640 4.852 -6.749
375 HE1 PHE 50 HE1 PHE 50 -0.156 4.783 -7.856
376 HE2 PHE 50 HE2 PHE 50 3.370 2.750 -6.585
377 HZ PHE 50 HZ PHE 50 0.972 2.714 -7.144
378 H ARG 51 H ARG 51 5.858 8.504 -10.623
379 HA ARG 51 HA ARG 51 6.898 10.675 -9.093
380 1HB ARG 51 2HB ARG 51 8.229 9.389 -10.747
381 2HB ARG 51 1HB ARG 51 7.263 10.094 -12.039
382 1HG ARG 51 2HG ARG 51 8.026 12.354 -11.245
383 2HG ARG 51 1HG ARG 51 9.145 11.519 -10.167
384 1HD ARG 51 2HD ARG 51 10.171 10.421 -12.124
385 2HD ARG 51 1HD ARG 51 9.080 11.318 -13.181
386 HE ARG 51 HE ARG 51 11.421 12.324 -11.823
387 1HH1 ARG 51 1HH1 ARG 51 8.472 13.156 -13.411
388 2HH1 ARG 51 2HH1 ARG 51 9.010 14.754 -13.792
389 1HH2 ARG 51 1HH2 ARG 51 12.085 14.374 -12.321
390 2HH2 ARG 51 2HH2 ARG 51 11.029 15.427 -13.196
391 H GLY 52 H GLY 52 5.984 12.601 -8.820
392 1HA GLY 52 2HA GLY 52 5.014 14.633 -9.306
393 2HA GLY 52 1HA GLY 52 5.116 14.215 -11.008
394 H GLN 53 H GLN 53 3.259 13.148 -8.136
395 HA GLN 53 HA GLN 53 0.766 13.612 -9.622
396 1HB GLN 53 2HB GLN 53 1.599 10.998 -8.367
397 2HB GLN 53 1HB GLN 53 -0.090 11.393 -8.647
398 1HG GLN 53 2HG GLN 53 0.319 11.567 -11.034
399 2HG GLN 53 1HG GLN 53 2.038 11.268 -10.779
400 1HE2 GLN 53 1HE2 GLN 53 -1.153 9.848 -10.685
401 2HE2 GLN 53 2HE2 GLN 53 -0.628 8.203 -10.722
402 H ALA 54 H ALA 54 -1.145 13.685 -8.263
403 HA ALA 54 HA ALA 54 -0.558 14.332 -5.434
404 1HB ALA 54 1HB ALA 54 -2.358 15.954 -5.496
405 2HB ALA 54 2HB ALA 54 -2.726 15.525 -7.167
406 3HB ALA 54 3HB ALA 54 -1.193 16.303 -6.771
407 H ASN 55 H ASN 55 -2.732 14.258 -4.105
408 HA ASN 55 HA ASN 55 -4.307 12.959 -3.103
409 1HB ASN 55 2HB ASN 55 -4.861 12.064 -5.947
410 2HB ASN 55 1HB ASN 55 -5.882 11.680 -4.564
411 1HD2 ASN 55 1HD2 ASN 55 -4.865 14.137 -6.758
412 2HD2 ASN 55 2HD2 ASN 55 -6.037 15.318 -6.301
413 H LEU 56 H LEU 56 -1.605 11.984 -3.378
414 HA LEU 56 HA LEU 56 -1.873 9.093 -3.739
415 1HB LEU 56 2HB LEU 56 0.556 10.804 -3.180
416 2HB LEU 56 1HB LEU 56 0.588 9.074 -3.458
417 HG LEU 56 HG LEU 56 -0.208 11.189 -5.471
418 1HD1 LEU 56 1HD1 LEU 56 1.807 10.475 -6.654
419 2HD1 LEU 56 2HD1 LEU 56 2.186 9.351 -5.351
420 3HD1 LEU 56 3HD1 LEU 56 2.192 11.090 -5.049
421 1HD2 LEU 56 1HD2 LEU 56 -0.073 8.184 -5.792
422 2HD2 LEU 56 2HD2 LEU 56 -0.381 9.351 -7.079
423 3HD2 LEU 56 3HD2 LEU 56 -1.544 9.160 -5.769
424 H VAL 57 H VAL 57 -2.139 7.734 -2.066
425 HA VAL 57 HA VAL 57 -1.572 8.693 0.662
426 HB VAL 57 HB VAL 57 -3.267 6.332 -0.196
427 1HG1 VAL 57 1HG1 VAL 57 -4.023 6.288 2.139
428 2HG1 VAL 57 2HG1 VAL 57 -2.900 7.592 2.530
429 3HG1 VAL 57 3HG1 VAL 57 -2.283 6.020 2.020
430 1HG2 VAL 57 1HG2 VAL 57 -4.097 9.071 0.770
431 2HG2 VAL 57 2HG2 VAL 57 -5.185 7.711 0.483
432 3HG2 VAL 57 3HG2 VAL 57 -4.298 8.429 -0.861
433 H LEU 58 H LEU 58 0.234 7.966 1.585
434 HA LEU 58 HA LEU 58 1.539 5.540 0.658
435 1HB LEU 58 2HB LEU 58 2.851 7.579 1.223
436 2HB LEU 58 1HB LEU 58 2.327 7.428 2.889
437 HG LEU 58 HG LEU 58 3.501 5.257 3.057
438 1HD1 LEU 58 1HD1 LEU 58 3.391 4.545 0.746
439 2HD1 LEU 58 2HD1 LEU 58 5.068 4.590 1.286
440 3HD1 LEU 58 3HD1 LEU 58 4.439 5.877 0.256
441 1HD2 LEU 58 1HD2 LEU 58 5.783 6.143 3.047
442 2HD2 LEU 58 2HD2 LEU 58 4.646 7.297 3.743
443 3HD2 LEU 58 3HD2 LEU 58 5.244 7.531 2.100
444 H LEU 59 H LEU 59 0.305 3.816 1.299
445 HA LEU 59 HA LEU 59 -0.729 3.521 3.952
446 1HB LEU 59 2HB LEU 59 -0.307 1.457 1.782
447 2HB LEU 59 1HB LEU 59 -1.190 1.183 3.272
448 HG LEU 59 HG LEU 59 -1.978 3.121 1.088
449 1HD1 LEU 59 1HD1 LEU 59 -3.842 1.583 0.702
450 2HD1 LEU 59 2HD1 LEU 59 -3.191 0.483 1.918
451 3HD1 LEU 59 3HD1 LEU 59 -2.289 0.792 0.434
452 1HD2 LEU 59 1HD2 LEU 59 -2.637 3.933 3.303
453 2HD2 LEU 59 2HD2 LEU 59 -3.416 2.387 3.644
454 3HD2 LEU 59 3HD2 LEU 59 -4.041 3.425 2.363
455 H ALA 60 H ALA 60 0.631 3.392 5.609
456 HA ALA 60 HA ALA 60 3.057 1.729 5.392
457 1HB ALA 60 1HB ALA 60 2.347 3.848 7.432
458 2HB ALA 60 2HB ALA 60 3.451 4.043 6.071
459 3HB ALA 60 3HB ALA 60 3.855 2.932 7.380
460 H VAL 61 H VAL 61 2.466 -0.330 5.896
461 HA VAL 61 HA VAL 61 0.767 -0.745 8.274
462 HB VAL 61 HB VAL 61 1.203 -2.560 5.891
463 1HG1 VAL 61 1HG1 VAL 61 0.955 -3.891 7.934
464 2HG1 VAL 61 2HG1 VAL 61 -0.476 -4.036 6.916
465 3HG1 VAL 61 3HG1 VAL 61 -0.512 -3.003 8.346
466 1HG2 VAL 61 1HG2 VAL 61 -0.247 -0.658 5.422
467 2HG2 VAL 61 2HG2 VAL 61 -1.220 -1.023 6.849
468 3HG2 VAL 61 3HG2 VAL 61 -1.197 -2.144 5.485
469 H GLU 62 H GLU 62 1.542 -1.764 10.006
470 HA GLU 62 HA GLU 62 4.270 -2.624 10.143
471 1HB GLU 62 2HB GLU 62 2.030 -3.025 12.143
472 2HB GLU 62 1HB GLU 62 3.750 -3.225 12.463
473 1HG GLU 62 2HG GLU 62 4.101 -0.838 11.984
474 2HG GLU 62 1HG GLU 62 2.371 -0.649 11.706
475 H ALA 63 H ALA 63 5.089 -4.567 9.698
476 HA ALA 63 HA ALA 63 3.580 -6.522 8.375
477 1HB ALA 63 1HB ALA 63 5.639 -7.804 8.287
478 2HB ALA 63 2HB ALA 63 6.348 -6.782 9.536
479 3HB ALA 63 3HB ALA 63 5.953 -6.100 7.957
480 H GLU 64 H GLU 64 5.067 -6.717 11.640
481 HA GLU 64 HA GLU 64 4.361 -9.391 12.097
482 1HB GLU 64 2HB GLU 64 4.763 -7.289 14.234
483 2HB GLU 64 1HB GLU 64 4.856 -9.030 14.447
484 1HG GLU 64 2HG GLU 64 7.074 -8.529 14.318
485 2HG GLU 64 1HG GLU 64 6.737 -8.832 12.615
486 HA PRO 65 HA PRO 65 0.376 -7.785 14.463
487 1HB PRO 65 2HB PRO 65 -0.086 -5.204 13.063
488 2HB PRO 65 1HB PRO 65 -0.295 -5.616 14.770
489 1HG PRO 65 2HG PRO 65 1.749 -4.102 13.978
490 2HG PRO 65 1HG PRO 65 1.963 -5.321 15.250
491 1HD PRO 65 2HD PRO 65 2.713 -5.464 12.346
492 2HD PRO 65 1HD PRO 65 3.638 -5.980 13.772
493 H LEU 66 H LEU 66 1.133 -7.473 11.090
494 HA LEU 66 HA LEU 66 -1.489 -7.502 10.014
495 1HB LEU 66 2HB LEU 66 0.728 -6.991 8.835
496 2HB LEU 66 1HB LEU 66 0.947 -8.723 8.707
497 HG LEU 66 HG LEU 66 -1.375 -7.197 7.490
498 1HD1 LEU 66 1HD1 LEU 66 -0.236 -7.546 5.345
499 2HD1 LEU 66 2HD1 LEU 66 1.145 -8.241 6.192
500 3HD1 LEU 66 3HD1 LEU 66 0.721 -6.545 6.438
501 1HD2 LEU 66 1HD2 LEU 66 -0.468 -10.060 7.126
502 2HD2 LEU 66 2HD2 LEU 66 -1.739 -9.263 6.198
503 3HD2 LEU 66 3HD2 LEU 66 -1.943 -9.520 7.929
504 H GLY 67 H GLY 67 0.841 -10.241 10.121
505 1HA GLY 67 2HA GLY 67 -0.448 -12.207 11.347
506 2HA GLY 67 1HA GLY 67 -1.418 -12.097 9.891
507 H GLU 68 H GLU 68 -0.959 -13.895 8.773
508 HA GLU 68 HA GLU 68 1.806 -14.919 8.724
509 1HB GLU 68 2HB GLU 68 0.085 -16.414 9.627
510 2HB GLU 68 1HB GLU 68 -0.836 -16.282 8.138
511 1HG GLU 68 2HG GLU 68 1.058 -17.351 6.934
512 2HG GLU 68 1HG GLU 68 1.861 -17.581 8.487
513 H ASP 69 H ASP 69 -0.563 -13.486 6.689
514 HA ASP 69 HA ASP 69 0.102 -14.912 4.274
515 1HB ASP 69 2HB ASP 69 -1.564 -12.401 4.584
516 2HB ASP 69 1HB ASP 69 -1.609 -13.553 3.249
517 H LEU 70 H LEU 70 2.336 -13.412 5.482
518 HA LEU 70 HA LEU 70 2.859 -11.398 3.384
519 1HB LEU 70 2HB LEU 70 2.842 -10.490 5.658
520 2HB LEU 70 1HB LEU 70 4.052 -11.661 6.149
521 HG LEU 70 HG LEU 70 5.655 -10.610 4.540
522 1HD1 LEU 70 1HD1 LEU 70 5.140 -8.378 3.659
523 2HD1 LEU 70 2HD1 LEU 70 3.487 -8.529 4.257
524 3HD1 LEU 70 3HD1 LEU 70 4.071 -9.612 2.992
525 1HD2 LEU 70 1HD2 LEU 70 4.508 -8.756 6.627
526 2HD2 LEU 70 2HD2 LEU 70 6.118 -8.643 5.912
527 3HD2 LEU 70 3HD2 LEU 70 5.693 -10.031 6.913
528 H LYS 71 H LYS 71 4.646 -11.572 2.113
529 HA LYS 71 HA LYS 71 6.865 -13.309 2.877
530 1HB LYS 71 2HB LYS 71 5.406 -14.827 1.625
531 2HB LYS 71 1HB LYS 71 5.348 -13.691 0.283
532 1HG LYS 71 2HG LYS 71 7.859 -13.958 0.105
533 2HG LYS 71 1HG LYS 71 7.709 -15.295 1.246
534 1HD LYS 71 2HD LYS 71 6.175 -16.432 -0.309
535 2HD LYS 71 1HD LYS 71 6.352 -15.100 -1.451
536 1HE LYS 71 2HE LYS 71 8.790 -15.575 -1.549
537 2HE LYS 71 1HE LYS 71 8.525 -16.971 -0.505
538 1HZ LYS 71 1HZ LYS 71 8.609 -17.658 -2.793
539 2HZ LYS 71 2HZ LYS 71 7.398 -16.560 -3.220
540 3HZ LYS 71 3HZ LYS 71 7.033 -17.873 -2.217
541 H TRP 72 H TRP 72 8.749 -12.313 2.401
542 HA TRP 72 HA TRP 72 8.796 -9.952 0.752
543 1HB TRP 72 2HB TRP 72 11.023 -11.486 2.114
544 2HB TRP 72 1HB TRP 72 11.257 -9.980 1.233
545 HD1 TRP 72 HD1 TRP 72 9.510 -11.321 4.409
546 HE1 TRP 72 HE1 TRP 72 9.217 -9.362 6.050
547 HE3 TRP 72 HE3 TRP 72 11.148 -7.497 1.428
548 HZ2 TRP 72 HZ2 TRP 72 9.617 -6.572 6.081
549 HZ3 TRP 72 HZ3 TRP 72 11.158 -5.212 2.339
550 HH2 TRP 72 HH2 TRP 72 10.408 -4.761 4.620
551 H GLU 73 H GLU 73 8.169 -10.661 -1.292
552 HA GLU 73 HA GLU 73 9.726 -12.769 -2.608
553 1HB GLU 73 2HB GLU 73 7.275 -12.896 -2.699
554 2HB GLU 73 1HB GLU 73 7.207 -11.314 -3.459
555 1HG GLU 73 2HG GLU 73 6.876 -12.984 -5.135
556 2HG GLU 73 1HG GLU 73 8.450 -12.237 -5.394
557 H ALA 74 H ALA 74 11.440 -12.215 -3.827
558 HA ALA 74 HA ALA 74 11.846 -9.528 -4.786
559 1HB ALA 74 1HB ALA 74 13.920 -10.380 -5.737
560 2HB ALA 74 2HB ALA 74 13.415 -12.037 -5.395
561 3HB ALA 74 3HB ALA 74 13.733 -10.920 -4.068
562 H SER 75 H SER 75 9.655 -9.711 -5.929
563 HA SER 75 HA SER 75 9.514 -11.297 -8.323
564 1HB SER 75 2HB SER 75 7.332 -10.097 -8.664
565 2HB SER 75 1HB SER 75 7.470 -10.919 -7.110
566 HG SER 75 HG SER 75 7.954 -8.146 -7.550
567 H ARG 76 H ARG 76 11.540 -10.344 -9.214
568 HA ARG 76 HA ARG 76 12.513 -9.278 -10.962
569 1HB ARG 76 2HB ARG 76 9.676 -8.370 -11.468
570 2HB ARG 76 1HB ARG 76 11.009 -8.004 -12.555
571 1HG ARG 76 2HG ARG 76 11.316 -10.268 -13.119
572 2HG ARG 76 1HG ARG 76 10.336 -10.823 -11.762
573 1HD ARG 76 2HD ARG 76 8.880 -9.057 -13.598
574 2HD ARG 76 1HD ARG 76 9.470 -10.530 -14.364
575 HE ARG 76 HE ARG 76 8.012 -11.773 -13.079
576 1HH1 ARG 76 1HH1 ARG 76 8.023 -8.525 -11.918
577 2HH1 ARG 76 2HH1 ARG 76 6.588 -8.750 -10.980
578 1HH2 ARG 76 1HH2 ARG 76 6.164 -12.025 -11.874
579 2HH2 ARG 76 2HH2 ARG 76 5.561 -10.688 -10.957
580 H GLY 77 H GLY 77 13.239 -7.166 -11.760
581 1HA GLY 77 2HA GLY 77 13.562 -4.851 -11.611
582 2HA GLY 77 1HA GLY 77 12.479 -4.800 -10.230
583 H GLY 78 H GLY 78 13.447 -6.098 -8.257
584 1HA GLY 78 2HA GLY 78 15.982 -6.684 -7.662
585 2HA GLY 78 1HA GLY 78 16.087 -4.934 -7.754
586 H ALA 79 H ALA 79 16.538 -6.698 -5.468
587 HA ALA 79 HA ALA 79 16.214 -6.708 -3.222
588 1HB ALA 79 1HB ALA 79 14.364 -4.369 -3.706
589 2HB ALA 79 2HB ALA 79 16.098 -4.269 -3.399
590 3HB ALA 79 3HB ALA 79 15.014 -4.874 -2.145
591 H ARG 80 H ARG 80 13.983 -6.404 -1.599
592 HA ARG 80 HA ARG 80 12.328 -8.644 -2.574
593 1HB ARG 80 2HB ARG 80 12.984 -7.754 0.241
594 2HB ARG 80 1HB ARG 80 11.769 -8.968 -0.127
595 1HG ARG 80 2HG ARG 80 13.672 -10.187 0.444
596 2HG ARG 80 1HG ARG 80 13.628 -10.245 -1.317
597 1HD ARG 80 2HD ARG 80 15.281 -8.417 -1.398
598 2HD ARG 80 1HD ARG 80 15.330 -8.397 0.365
599 HE ARG 80 HE ARG 80 16.152 -10.720 -1.253
600 1HH1 ARG 80 1HH1 ARG 80 16.613 -8.603 1.434
601 2HH1 ARG 80 2HH1 ARG 80 18.001 -9.462 1.997
602 1HH2 ARG 80 1HH2 ARG 80 17.934 -11.801 -0.511
603 2HH2 ARG 80 2HH2 ARG 80 18.749 -11.236 0.908
604 H PHE 81 H PHE 81 10.303 -8.238 -3.139
605 HA PHE 81 HA PHE 81 8.927 -5.864 -2.091
606 1HB PHE 81 2HB PHE 81 8.203 -7.720 -4.383
607 2HB PHE 81 1HB PHE 81 7.265 -6.313 -3.893
608 HD1 PHE 81 HD1 PHE 81 10.387 -7.450 -5.470
609 HD2 PHE 81 HD2 PHE 81 7.985 -4.085 -4.429
610 HE1 PHE 81 HE1 PHE 81 11.743 -6.025 -6.947
611 HE2 PHE 81 HE2 PHE 81 9.342 -2.659 -5.902
612 HZ PHE 81 HZ PHE 81 11.222 -3.628 -7.165
613 HA PRO 82 HA PRO 82 6.806 -8.680 0.816
614 1HB PRO 82 2HB PRO 82 5.369 -6.103 1.286
615 2HB PRO 82 1HB PRO 82 6.061 -7.237 2.454
616 1HG PRO 82 2HG PRO 82 7.283 -4.934 1.910
617 2HG PRO 82 1HG PRO 82 8.218 -6.419 2.163
618 1HD PRO 82 2HD PRO 82 7.553 -5.010 -0.389
619 2HD PRO 82 1HD PRO 82 9.044 -5.851 0.079
620 H HIS 83 H HIS 83 5.457 -10.001 -0.310
621 HA HIS 83 HA HIS 83 3.100 -8.902 -1.665
622 1HB HIS 83 2HB HIS 83 4.331 -11.663 -1.609
623 2HB HIS 83 1HB HIS 83 2.752 -11.351 -2.317
624 HD1 HIS 83 HD1 HIS 83 3.597 -12.058 -4.641
625 HD2 HIS 83 HD2 HIS 83 5.631 -8.802 -3.056
626 HE1 HIS 83 HE1 HIS 83 4.920 -11.104 -6.542
627 HE2 HIS 83 HE2 HIS 83 6.288 -9.263 -5.521
628 H LEU 84 H LEU 84 1.093 -9.013 -0.829
629 HA LEU 84 HA LEU 84 0.683 -10.525 1.671
630 1HB LEU 84 2HB LEU 84 0.320 -8.122 1.876
631 2HB LEU 84 1HB LEU 84 -0.818 -8.155 0.542
632 HG LEU 84 HG LEU 84 -2.361 -9.533 1.885
633 1HD1 LEU 84 1HD1 LEU 84 -0.754 -10.695 3.288
634 2HD1 LEU 84 2HD1 LEU 84 -1.944 -9.855 4.283
635 3HD1 LEU 84 3HD1 LEU 84 -0.326 -9.181 4.086
636 1HD2 LEU 84 1HD2 LEU 84 -1.470 -7.004 3.279
637 2HD2 LEU 84 2HD2 LEU 84 -3.033 -7.798 3.473
638 3HD2 LEU 84 3HD2 LEU 84 -2.590 -7.100 1.916
639 H TYR 85 H TYR 85 -0.322 -12.417 1.393
640 HA TYR 85 HA TYR 85 -1.694 -13.021 -1.075
641 1HB TYR 85 2HB TYR 85 -1.040 -14.686 1.362
642 2HB TYR 85 1HB TYR 85 -1.886 -15.326 -0.045
643 HD1 TYR 85 HD2 TYR 85 -0.720 -15.503 -2.219
644 HD2 TYR 85 HD1 TYR 85 1.340 -14.283 1.304
645 HE1 TYR 85 HE2 TYR 85 1.426 -15.957 -3.323
646 HE2 TYR 85 HE1 TYR 85 3.495 -14.735 0.205
647 HH TYR 85 HH TYR 85 4.336 -16.184 -1.679
648 H ARG 86 H ARG 86 -3.081 -11.118 0.745
649 HA ARG 86 HA ARG 86 -5.697 -12.279 0.456
650 1HB ARG 86 2HB ARG 86 -6.421 -12.204 2.739
651 2HB ARG 86 1HB ARG 86 -4.946 -13.159 2.687
652 1HG ARG 86 2HG ARG 86 -3.665 -11.273 3.537
653 2HG ARG 86 1HG ARG 86 -5.114 -10.265 3.526
654 1HD ARG 86 2HD ARG 86 -6.165 -11.870 5.122
655 2HD ARG 86 1HD ARG 86 -4.626 -12.726 5.206
656 HE ARG 86 HE ARG 86 -4.469 -9.915 5.839
657 1HH1 ARG 86 1HH1 ARG 86 -4.923 -13.099 7.064
658 2HH1 ARG 86 2HH1 ARG 86 -4.571 -12.644 8.693
659 1HH2 ARG 86 1HH2 ARG 86 -4.010 -9.332 7.928
660 2HH2 ARG 86 2HH2 ARG 86 -4.037 -10.534 9.172
661 HA PRO 87 HA PRO 87 -6.923 -7.997 -0.092
662 1HB PRO 87 2HB PRO 87 -9.363 -8.699 1.474
663 2HB PRO 87 1HB PRO 87 -9.229 -7.976 -0.134
664 1HG PRO 87 2HG PRO 87 -9.943 -10.523 0.134
665 2HG PRO 87 1HG PRO 87 -8.845 -10.026 -1.170
666 1HD PRO 87 2HD PRO 87 -8.211 -11.384 1.433
667 2HD PRO 87 1HD PRO 87 -7.542 -11.683 -0.186
668 H LEU 88 H LEU 88 -6.008 -6.417 1.065
669 HA LEU 88 HA LEU 88 -5.578 -6.602 3.888
670 1HB LEU 88 2HB LEU 88 -3.935 -5.570 2.402
671 2HB LEU 88 1HB LEU 88 -5.088 -4.329 1.954
672 HG LEU 88 HG LEU 88 -5.064 -3.477 4.278
673 1HD1 LEU 88 1HD1 LEU 88 -4.516 -5.539 5.450
674 2HD1 LEU 88 2HD1 LEU 88 -3.361 -4.270 5.852
675 3HD1 LEU 88 3HD1 LEU 88 -2.910 -5.547 4.721
676 1HD2 LEU 88 1HD2 LEU 88 -2.814 -2.503 4.206
677 2HD2 LEU 88 2HD2 LEU 88 -3.577 -2.496 2.617
678 3HD2 LEU 88 3HD2 LEU 88 -2.339 -3.695 2.994
679 H LEU 89 H LEU 89 -7.418 -6.466 5.104
680 HA LEU 89 HA LEU 89 -9.638 -4.823 4.623
681 1HB LEU 89 2HB LEU 89 -8.615 -5.731 7.325
682 2HB LEU 89 1HB LEU 89 -10.247 -5.206 6.956
683 HG LEU 89 HG LEU 89 -8.898 -7.735 5.999
684 1HD1 LEU 89 1HD1 LEU 89 -10.661 -8.847 7.282
685 2HD1 LEU 89 2HD1 LEU 89 -11.266 -7.278 7.814
686 3HD1 LEU 89 3HD1 LEU 89 -9.660 -7.818 8.307
687 1HD2 LEU 89 1HD2 LEU 89 -11.010 -8.284 4.900
688 2HD2 LEU 89 2HD2 LEU 89 -10.297 -6.826 4.213
689 3HD2 LEU 89 3HD2 LEU 89 -11.656 -6.700 5.331
690 H VAL 90 H VAL 90 -10.004 -2.677 4.915
691 HA VAL 90 HA VAL 90 -7.951 -0.854 5.443
692 HB VAL 90 HB VAL 90 -10.942 -0.440 5.701
693 1HG1 VAL 90 1HG1 VAL 90 -10.437 1.966 5.404
694 2HG1 VAL 90 2HG1 VAL 90 -8.714 1.600 5.518
695 3HG1 VAL 90 3HG1 VAL 90 -9.769 1.319 6.903
696 1HG2 VAL 90 1HG2 VAL 90 -9.050 0.133 3.410
697 2HG2 VAL 90 2HG2 VAL 90 -10.777 0.486 3.441
698 3HG2 VAL 90 3HG2 VAL 90 -10.221 -1.186 3.478
699 H SER 91 H SER 91 -10.271 -2.368 7.613
700 HA SER 91 HA SER 91 -9.748 -0.848 9.936
701 1HB SER 91 2HB SER 91 -10.620 -2.863 11.167
702 2HB SER 91 1HB SER 91 -11.671 -2.309 9.864
703 HG SER 91 HG SER 91 -10.411 -4.703 10.170
704 H GLU 92 H GLU 92 -7.919 -3.372 8.401
705 HA GLU 92 HA GLU 92 -6.267 -3.900 10.732
706 1HB GLU 92 2HB GLU 92 -6.839 -5.772 9.321
707 2HB GLU 92 1HB GLU 92 -6.206 -4.959 7.897
708 1HG GLU 92 2HG GLU 92 -3.988 -5.287 8.544
709 2HG GLU 92 1HG GLU 92 -4.423 -5.595 10.225
710 H VAL 93 H VAL 93 -6.222 -1.752 8.053
711 HA VAL 93 HA VAL 93 -3.435 -1.454 7.665
712 HB VAL 93 HB VAL 93 -5.611 0.612 7.236
713 1HG1 VAL 93 1HG1 VAL 93 -2.813 0.438 6.099
714 2HG1 VAL 93 2HG1 VAL 93 -3.417 1.649 7.232
715 3HG1 VAL 93 3HG1 VAL 93 -4.049 1.589 5.586
716 1HG2 VAL 93 1HG2 VAL 93 -5.615 -0.180 4.904
717 2HG2 VAL 93 2HG2 VAL 93 -6.101 -1.443 6.035
718 3HG2 VAL 93 3HG2 VAL 93 -4.478 -1.455 5.343
719 H THR 94 H THR 94 -1.964 -0.723 9.056
720 HA THR 94 HA THR 94 -2.677 0.351 11.576
721 HB THR 94 HB THR 94 -0.215 0.488 11.916
722 HG1 THR 94 HG1 THR 94 0.801 0.769 10.057
723 1HG2 THR 94 1HG2 THR 94 -1.450 -1.579 12.419
724 2HG2 THR 94 2HG2 THR 94 0.183 -1.925 11.850
725 3HG2 THR 94 3HG2 THR 94 -1.190 -2.124 10.762
726 H ARG 95 H ARG 95 -0.975 1.812 8.759
727 HA ARG 95 HA ARG 95 -1.868 4.432 9.717
728 1HB ARG 95 2HB ARG 95 0.324 4.224 10.697
729 2HB ARG 95 1HB ARG 95 1.020 3.764 9.152
730 1HG ARG 95 2HG ARG 95 0.665 5.970 8.265
731 2HG ARG 95 1HG ARG 95 -0.235 6.451 9.704
732 1HD ARG 95 2HD ARG 95 2.670 5.621 9.690
733 2HD ARG 95 1HD ARG 95 2.106 7.292 9.667
734 HE ARG 95 HE ARG 95 0.900 6.460 11.848
735 1HH1 ARG 95 1HH1 ARG 95 4.124 5.797 10.809
736 2HH1 ARG 95 2HH1 ARG 95 4.716 5.641 12.427
737 1HH2 ARG 95 1HH2 ARG 95 1.691 6.258 13.908
738 2HH2 ARG 95 2HH2 ARG 95 3.363 5.885 14.149
739 H GLU 96 H GLU 96 -2.178 5.967 8.216
740 HA GLU 96 HA GLU 96 -1.412 5.486 5.410
741 1HB GLU 96 2HB GLU 96 -3.610 6.235 4.636
742 2HB GLU 96 1HB GLU 96 -3.784 4.835 5.688
743 1HG GLU 96 2HG GLU 96 -4.369 6.357 7.552
744 2HG GLU 96 1HG GLU 96 -4.287 7.715 6.432
745 H ALA 97 H ALA 97 -0.652 7.326 4.361
746 HA ALA 97 HA ALA 97 -1.152 9.951 5.582
747 1HB ALA 97 1HB ALA 97 1.223 10.526 5.590
748 2HB ALA 97 2HB ALA 97 1.627 8.894 5.052
749 3HB ALA 97 3HB ALA 97 0.892 9.145 6.636
750 H ASP 98 H ASP 98 -1.811 11.298 4.015
751 HA ASP 98 HA ASP 98 -1.406 10.795 1.239
752 1HB ASP 98 2HB ASP 98 -3.367 12.012 2.210
753 2HB ASP 98 1HB ASP 98 -2.307 13.368 2.566
754 H LEU 99 H LEU 99 0.008 11.744 -0.229
755 HA LEU 99 HA LEU 99 2.462 12.766 0.957
756 1HB LEU 99 2HB LEU 99 1.796 11.773 -1.814
757 2HB LEU 99 1HB LEU 99 3.338 12.506 -1.426
758 HG LEU 99 HG LEU 99 3.633 10.140 -1.401
759 1HD1 LEU 99 1HD1 LEU 99 4.402 9.731 0.872
760 2HD1 LEU 99 2HD1 LEU 99 3.475 11.117 1.449
761 3HD1 LEU 99 3HD1 LEU 99 4.825 11.358 0.339
762 1HD2 LEU 99 1HD2 LEU 99 1.320 9.988 0.532
763 2HD2 LEU 99 2HD2 LEU 99 2.343 8.640 0.038
764 3HD2 LEU 99 3HD2 LEU 99 1.318 9.448 -1.148
765 H ASP 100 H ASP 100 2.337 14.932 1.363
766 HA ASP 100 HA ASP 100 1.546 16.809 -0.696
767 1HB ASP 100 2HB ASP 100 1.245 17.368 1.692
768 2HB ASP 100 1HB ASP 100 2.985 17.264 1.939
769 H LEU 101 H LEU 101 2.854 16.451 -2.463
770 HA LEU 101 HA LEU 101 5.716 16.057 -2.100
771 1HB LEU 101 2HB LEU 101 3.858 15.766 -4.444
772 2HB LEU 101 1HB LEU 101 5.600 15.634 -4.617
773 HG LEU 101 HG LEU 101 4.005 13.907 -2.720
774 1HD1 LEU 101 1HD1 LEU 101 4.849 13.295 -5.553
775 2HD1 LEU 101 2HD1 LEU 101 3.197 13.467 -4.959
776 3HD1 LEU 101 3HD1 LEU 101 4.197 12.124 -4.405
777 1HD2 LEU 101 1HD2 LEU 101 6.027 12.482 -2.823
778 2HD2 LEU 101 2HD2 LEU 101 6.357 14.082 -2.164
779 3HD2 LEU 101 3HD2 LEU 101 6.818 13.705 -3.824
780 H ASP 102 H ASP 102 7.311 17.125 -3.390
781 HA ASP 102 HA ASP 102 6.656 19.779 -4.433
782 1HB ASP 102 2HB ASP 102 7.153 20.085 -2.020
783 2HB ASP 102 1HB ASP 102 8.707 19.299 -2.254
784 H ALA 103 H ALA 103 8.605 20.800 -5.448
785 HA ALA 103 HA ALA 103 10.159 20.804 -7.094
786 1HB ALA 103 1HB ALA 103 11.388 18.552 -5.506
787 2HB ALA 103 2HB ALA 103 11.567 20.269 -5.145
788 3HB ALA 103 3HB ALA 103 12.214 19.612 -6.650
789 H ASP 104 H ASP 104 10.497 17.332 -6.568
790 HA ASP 104 HA ASP 104 10.057 16.911 -9.441
791 1HB ASP 104 2HB ASP 104 11.164 14.934 -7.438
792 2HB ASP 104 1HB ASP 104 11.310 14.883 -9.193
793 H GLY 105 H GLY 105 8.300 16.681 -6.625
794 1HA GLY 105 2HA GLY 105 6.320 15.644 -6.073
795 2HA GLY 105 1HA GLY 105 6.214 15.098 -7.740
796 H VAL 106 H VAL 106 8.615 14.406 -5.203
797 HA VAL 106 HA VAL 106 7.894 11.599 -5.040
798 HB VAL 106 HB VAL 106 10.584 12.343 -6.210
799 1HG1 VAL 106 1HG1 VAL 106 9.440 9.636 -5.503
800 2HG1 VAL 106 2HG1 VAL 106 10.793 10.449 -4.718
801 3HG1 VAL 106 3HG1 VAL 106 10.945 9.897 -6.385
802 1HG2 VAL 106 1HG2 VAL 106 8.850 12.493 -7.913
803 2HG2 VAL 106 2HG2 VAL 106 8.274 10.878 -7.500
804 3HG2 VAL 106 3HG2 VAL 106 9.874 11.087 -8.212
805 HA PRO 107 HA PRO 107 12.283 12.388 -2.757
806 1HB PRO 107 2HB PRO 107 12.200 14.982 -1.614
807 2HB PRO 107 1HB PRO 107 13.206 14.442 -2.963
808 1HG PRO 107 2HG PRO 107 10.516 15.773 -3.019
809 2HG PRO 107 1HG PRO 107 11.922 16.071 -4.046
810 1HD PRO 107 2HD PRO 107 9.957 14.679 -5.036
811 2HD PRO 107 1HD PRO 107 11.609 14.048 -5.243
812 H GLN 108 H GLN 108 10.184 14.682 -1.054
813 HA GLN 108 HA GLN 108 10.770 13.917 1.492
814 1HB GLN 108 2HB GLN 108 8.655 15.065 2.163
815 2HB GLN 108 1HB GLN 108 9.674 15.983 1.065
816 1HG GLN 108 2HG GLN 108 7.355 14.345 0.068
817 2HG GLN 108 1HG GLN 108 7.149 15.995 0.647
818 1HE2 GLN 108 1HE2 GLN 108 8.504 13.987 -1.896
819 2HE2 GLN 108 2HE2 GLN 108 8.802 15.288 -2.990
820 H LEU 109 H LEU 109 10.708 11.436 1.123
821 HA LEU 109 HA LEU 109 8.121 10.407 2.046
822 1HB LEU 109 2HB LEU 109 10.029 9.340 0.293
823 2HB LEU 109 1HB LEU 109 10.169 8.375 1.752
824 HG LEU 109 HG LEU 109 7.710 7.957 1.657
825 1HD1 LEU 109 1HD1 LEU 109 7.927 9.334 -1.020
826 2HD1 LEU 109 2HD1 LEU 109 7.051 9.924 0.395
827 3HD1 LEU 109 3HD1 LEU 109 6.516 8.455 -0.423
828 1HD2 LEU 109 1HD2 LEU 109 9.294 6.323 0.765
829 2HD2 LEU 109 2HD2 LEU 109 9.248 7.126 -0.803
830 3HD2 LEU 109 3HD2 LEU 109 7.799 6.347 -0.168
831 H GLY 110 H GLY 110 11.358 11.038 3.122
832 1HA GLY 110 2HA GLY 110 11.806 9.158 5.074
833 2HA GLY 110 1HA GLY 110 12.430 10.794 5.132
834 H ASP 111 H ASP 111 10.150 12.278 5.573
835 HA ASP 111 HA ASP 111 9.771 11.989 8.350
836 1HB ASP 111 2HB ASP 111 8.129 13.795 8.129
837 2HB ASP 111 1HB ASP 111 9.570 14.142 7.179
838 H HIS 112 H HIS 112 7.994 10.701 5.636
839 HA HIS 112 HA HIS 112 5.706 9.882 7.219
840 1HB HIS 112 2HB HIS 112 6.498 9.009 4.429
841 2HB HIS 112 1HB HIS 112 4.927 8.777 5.189
842 HD1 HIS 112 HD1 HIS 112 3.640 11.124 5.772
843 HD2 HIS 112 HD2 HIS 112 6.687 11.268 2.951
844 HE1 HIS 112 HE1 HIS 112 3.250 13.231 4.474
845 HE2 HIS 112 HE2 HIS 112 5.231 13.408 2.934
846 H LEU 113 H LEU 113 8.745 8.529 6.192
847 HA LEU 113 HA LEU 113 8.115 5.793 6.726
848 1HB LEU 113 2HB LEU 113 10.857 7.057 6.684
849 2HB LEU 113 1HB LEU 113 10.472 5.361 6.461
850 HG LEU 113 HG LEU 113 9.867 7.619 4.542
851 1HD1 LEU 113 1HD1 LEU 113 12.196 6.941 4.525
852 2HD1 LEU 113 2HD1 LEU 113 11.394 6.414 3.047
853 3HD1 LEU 113 3HD1 LEU 113 11.727 5.250 4.331
854 1HD2 LEU 113 1HD2 LEU 113 9.200 4.687 4.267
855 2HD2 LEU 113 2HD2 LEU 113 8.970 5.929 3.034
856 3HD2 LEU 113 3HD2 LEU 113 8.040 5.991 4.530
857 H ALA 114 H ALA 114 10.475 7.849 8.377
858 HA ALA 114 HA ALA 114 9.503 7.794 10.956
859 1HB ALA 114 1HB ALA 114 11.412 5.482 10.542
860 2HB ALA 114 2HB ALA 114 9.688 5.344 10.881
861 3HB ALA 114 3HB ALA 114 10.769 6.035 12.089
862 H LEU 115 H LEU 115 12.781 6.688 10.187
863 HA LEU 115 HA LEU 115 14.831 7.596 10.526
864 1HB LEU 115 2HB LEU 115 13.392 10.087 9.609
865 2HB LEU 115 1HB LEU 115 15.135 9.954 9.761
866 HG LEU 115 HG LEU 115 13.379 8.387 7.860
867 1HD1 LEU 115 1HD1 LEU 115 15.465 10.508 7.347
868 2HD1 LEU 115 2HD1 LEU 115 13.719 10.705 7.187
869 3HD1 LEU 115 3HD1 LEU 115 14.582 9.601 6.118
870 1HD2 LEU 115 1HD2 LEU 115 15.222 6.999 8.660
871 2HD2 LEU 115 2HD2 LEU 115 16.375 8.270 8.244
872 3HD2 LEU 115 3HD2 LEU 115 15.463 7.454 6.973
873 H GLU 116 H GLU 116 12.906 7.658 12.824
874 HA GLU 116 HA GLU 116 13.559 9.997 14.369
875 1HB GLU 116 2HB GLU 116 12.137 7.413 15.012
876 2HB GLU 116 1HB GLU 116 12.443 8.639 16.236
877 1HG GLU 116 2HG GLU 116 10.885 9.082 13.690
878 2HG GLU 116 1HG GLU 116 10.178 8.779 15.277
Start of MODEL 7
1 1H MET 1 1H MET 1 9.825 -4.016 15.873
2 2H MET 1 2H MET 1 10.374 -2.661 15.025
3 3H MET 1 3H MET 1 10.970 -4.198 14.642
4 HA MET 1 HA MET 1 8.823 -4.900 13.868
5 1HB MET 1 2HB MET 1 8.009 -2.095 14.659
6 2HB MET 1 1HB MET 1 7.032 -3.129 13.623
7 1HG MET 1 2HG MET 1 6.237 -3.189 15.913
8 2HG MET 1 1HG MET 1 6.841 -4.768 15.414
9 1HE MET 1 1HE MET 1 6.294 -4.162 18.421
10 2HE MET 1 2HE MET 1 7.756 -4.758 19.203
11 3HE MET 1 3HE MET 1 7.028 -5.674 17.885
12 H THR 2 H THR 2 8.003 -4.421 11.699
13 HA THR 2 HA THR 2 9.675 -2.511 10.178
14 HB THR 2 HB THR 2 9.611 -4.013 8.240
15 HG1 THR 2 HG1 THR 2 8.048 -5.610 9.988
16 1HG2 THR 2 1HG2 THR 2 11.512 -4.219 9.763
17 2HG2 THR 2 2HG2 THR 2 11.097 -5.788 9.076
18 3HG2 THR 2 3HG2 THR 2 10.627 -5.400 10.730
19 H LEU 3 H LEU 3 8.622 -1.263 8.655
20 HA LEU 3 HA LEU 3 5.670 -1.435 8.714
21 1HB LEU 3 2HB LEU 3 7.022 0.480 9.938
22 2HB LEU 3 1HB LEU 3 7.119 1.164 8.329
23 HG LEU 3 HG LEU 3 4.549 0.517 9.795
24 1HD1 LEU 3 1HD1 LEU 3 5.748 2.360 10.844
25 2HD1 LEU 3 2HD1 LEU 3 4.298 2.935 10.023
26 3HD1 LEU 3 3HD1 LEU 3 5.881 3.178 9.285
27 1HD2 LEU 3 1HD2 LEU 3 5.005 1.969 7.185
28 2HD2 LEU 3 2HD2 LEU 3 3.456 1.780 8.007
29 3HD2 LEU 3 3HD2 LEU 3 4.294 0.365 7.373
30 H ILE 4 H ILE 4 4.723 -1.708 6.788
31 HA ILE 4 HA ILE 4 6.263 -1.240 4.331
32 HB ILE 4 HB ILE 4 4.487 -2.515 3.179
33 1HG1 ILE 4 2HG1 ILE 4 3.351 -2.906 5.970
34 2HG1 ILE 4 1HG1 ILE 4 2.601 -1.983 4.672
35 1HG2 ILE 4 1HG2 ILE 4 5.053 -4.713 4.124
36 2HG2 ILE 4 2HG2 ILE 4 5.690 -3.925 5.567
37 3HG2 ILE 4 3HG2 ILE 4 6.469 -3.667 4.006
38 1HD1 ILE 4 1HD1 ILE 4 1.563 -4.159 4.913
39 2HD1 ILE 4 2HD1 ILE 4 3.118 -4.949 4.657
40 3HD1 ILE 4 3HD1 ILE 4 2.372 -4.026 3.353
41 H TYR 5 H TYR 5 5.367 -0.074 2.539
42 HA TYR 5 HA TYR 5 3.394 1.965 3.361
43 1HB TYR 5 2HB TYR 5 6.074 2.407 2.029
44 2HB TYR 5 1HB TYR 5 4.816 3.634 2.087
45 HD1 TYR 5 HD2 TYR 5 7.213 1.686 4.130
46 HD2 TYR 5 HD1 TYR 5 4.374 4.864 4.102
47 HE1 TYR 5 HE2 TYR 5 8.032 2.442 6.327
48 HE2 TYR 5 HE1 TYR 5 5.184 5.618 6.294
49 HH TYR 5 HH TYR 5 8.072 4.465 7.696
50 H LYS 6 H LYS 6 1.680 1.449 2.105
51 HA LYS 6 HA LYS 6 2.022 0.819 -0.729
52 1HB LYS 6 2HB LYS 6 0.416 -0.537 0.391
53 2HB LYS 6 1HB LYS 6 -0.364 0.854 1.119
54 1HG LYS 6 2HG LYS 6 -1.840 0.208 -0.550
55 2HG LYS 6 1HG LYS 6 -0.963 1.542 -1.286
56 1HD LYS 6 2HD LYS 6 0.401 0.020 -2.560
57 2HD LYS 6 1HD LYS 6 -0.270 -1.373 -1.709
58 1HE LYS 6 2HE LYS 6 -1.416 -1.334 -3.768
59 2HE LYS 6 1HE LYS 6 -2.540 -0.618 -2.621
60 1HZ LYS 6 1HZ LYS 6 -2.523 0.680 -4.618
61 2HZ LYS 6 2HZ LYS 6 -0.840 0.854 -4.561
62 3HZ LYS 6 3HZ LYS 6 -1.803 1.588 -3.385
63 H ILE 7 H ILE 7 2.360 2.539 -2.017
64 HA ILE 7 HA ILE 7 0.968 5.063 -1.567
65 HB ILE 7 HB ILE 7 2.867 4.307 -3.809
66 1HG1 ILE 7 2HG1 ILE 7 3.389 5.829 -1.235
67 2HG1 ILE 7 1HG1 ILE 7 3.964 4.205 -1.600
68 1HG2 ILE 7 1HG2 ILE 7 3.059 6.739 -4.159
69 2HG2 ILE 7 2HG2 ILE 7 1.832 7.006 -2.919
70 3HG2 ILE 7 3HG2 ILE 7 1.411 6.165 -4.411
71 1HD1 ILE 7 1HD1 ILE 7 5.729 5.834 -1.878
72 2HD1 ILE 7 2HD1 ILE 7 4.750 6.734 -3.036
73 3HD1 ILE 7 3HD1 ILE 7 5.314 5.110 -3.431
74 H LEU 8 H LEU 8 -0.733 5.822 -2.798
75 HA LEU 8 HA LEU 8 -1.532 4.633 -5.277
76 1HB LEU 8 2HB LEU 8 -3.544 3.537 -4.621
77 2HB LEU 8 1HB LEU 8 -2.233 2.875 -3.666
78 HG LEU 8 HG LEU 8 -4.296 4.868 -2.691
79 1HD1 LEU 8 1HD1 LEU 8 -5.222 2.638 -3.049
80 2HD1 LEU 8 2HD1 LEU 8 -5.125 3.016 -1.330
81 3HD1 LEU 8 3HD1 LEU 8 -3.939 1.935 -2.063
82 1HD2 LEU 8 1HD2 LEU 8 -2.137 5.184 -1.570
83 2HD2 LEU 8 2HD2 LEU 8 -2.096 3.469 -1.159
84 3HD2 LEU 8 3HD2 LEU 8 -3.341 4.512 -0.471
85 H SER 9 H SER 9 -3.767 5.417 -5.960
86 HA SER 9 HA SER 9 -3.987 8.250 -5.419
87 1HB SER 9 2HB SER 9 -5.747 6.464 -7.131
88 2HB SER 9 1HB SER 9 -5.749 8.227 -7.128
89 HG SER 9 HG SER 9 -4.338 6.730 -8.673
90 H ARG 10 H ARG 10 -5.775 9.313 -4.476
91 HA ARG 10 HA ARG 10 -6.985 8.105 -2.269
92 1HB ARG 10 2HB ARG 10 -6.701 10.589 -2.699
93 2HB ARG 10 1HB ARG 10 -8.105 10.495 -3.751
94 1HG ARG 10 2HG ARG 10 -8.793 11.321 -1.605
95 2HG ARG 10 1HG ARG 10 -9.450 9.698 -1.822
96 1HD ARG 10 2HD ARG 10 -7.701 8.768 -0.416
97 2HD ARG 10 1HD ARG 10 -6.937 10.350 -0.271
98 HE ARG 10 HE ARG 10 -9.569 10.556 0.646
99 1HH1 ARG 10 1HH1 ARG 10 -6.641 8.980 1.542
100 2HH1 ARG 10 2HH1 ARG 10 -7.006 9.015 3.231
101 1HH2 ARG 10 1HH2 ARG 10 -10.010 10.628 2.821
102 2HH2 ARG 10 2HH2 ARG 10 -8.862 9.984 3.946
103 H ALA 11 H ALA 11 -8.195 8.501 -5.578
104 HA ALA 11 HA ALA 11 -10.812 7.512 -5.110
105 1HB ALA 11 1HB ALA 11 -10.959 7.268 -7.531
106 2HB ALA 11 2HB ALA 11 -9.215 7.484 -7.671
107 3HB ALA 11 3HB ALA 11 -10.223 8.814 -7.101
108 H GLU 12 H GLU 12 -7.750 5.910 -5.479
109 HA GLU 12 HA GLU 12 -8.845 3.289 -6.010
110 1HB GLU 12 2HB GLU 12 -6.552 3.922 -6.713
111 2HB GLU 12 1HB GLU 12 -6.090 4.106 -5.029
112 1HG GLU 12 2HG GLU 12 -6.532 1.702 -4.671
113 2HG GLU 12 1HG GLU 12 -6.919 1.541 -6.383
114 H TRP 13 H TRP 13 -7.323 4.879 -3.231
115 HA TRP 13 HA TRP 13 -7.751 2.837 -1.344
116 1HB TRP 13 2HB TRP 13 -6.089 4.565 -0.996
117 2HB TRP 13 1HB TRP 13 -7.327 5.812 -0.987
118 HD1 TRP 13 HD1 TRP 13 -7.176 6.724 1.411
119 HE1 TRP 13 HE1 TRP 13 -7.367 5.725 3.767
120 HE3 TRP 13 HE3 TRP 13 -7.325 1.754 0.183
121 HZ2 TRP 13 HZ2 TRP 13 -7.584 3.178 4.956
122 HZ3 TRP 13 HZ3 TRP 13 -7.535 0.104 1.996
123 HH2 TRP 13 HH2 TRP 13 -7.659 0.800 4.330
124 H ASP 14 H ASP 14 -9.508 5.964 -1.600
125 HA ASP 14 HA ASP 14 -11.430 5.330 0.331
126 1HB ASP 14 2HB ASP 14 -11.331 7.391 -1.850
127 2HB ASP 14 1HB ASP 14 -12.766 7.220 -0.842
128 H ALA 15 H ALA 15 -11.396 4.556 -3.095
129 HA ALA 15 HA ALA 15 -14.102 3.728 -3.289
130 1HB ALA 15 1HB ALA 15 -12.674 4.050 -5.260
131 2HB ALA 15 2HB ALA 15 -13.405 2.444 -5.237
132 3HB ALA 15 3HB ALA 15 -11.711 2.649 -4.787
133 H ALA 16 H ALA 16 -11.123 1.963 -2.443
134 HA ALA 16 HA ALA 16 -12.443 -0.490 -1.779
135 1HB ALA 16 1HB ALA 16 -9.741 0.508 -0.875
136 2HB ALA 16 2HB ALA 16 -10.052 -0.361 -2.377
137 3HB ALA 16 3HB ALA 16 -10.317 -1.158 -0.826
138 H LYS 17 H LYS 17 -11.739 2.454 -0.068
139 HA LYS 17 HA LYS 17 -12.143 1.582 2.592
140 1HB LYS 17 2HB LYS 17 -11.045 3.711 1.932
141 2HB LYS 17 1HB LYS 17 -12.601 4.323 1.393
142 1HG LYS 17 2HG LYS 17 -13.447 4.205 3.690
143 2HG LYS 17 1HG LYS 17 -11.885 3.583 4.232
144 1HD LYS 17 2HD LYS 17 -12.335 6.270 2.911
145 2HD LYS 17 1HD LYS 17 -12.126 6.008 4.641
146 1HE LYS 17 2HE LYS 17 -9.877 5.215 4.303
147 2HE LYS 17 1HE LYS 17 -10.079 5.263 2.553
148 1HZ LYS 17 1HZ LYS 17 -10.326 7.687 4.232
149 2HZ LYS 17 2HZ LYS 17 -10.099 7.592 2.553
150 3HZ LYS 17 3HZ LYS 17 -8.842 7.174 3.607
151 H ALA 18 H ALA 18 -14.341 3.018 0.188
152 HA ALA 18 HA ALA 18 -16.716 2.845 1.704
153 1HB ALA 18 1HB ALA 18 -17.884 3.017 -0.446
154 2HB ALA 18 2HB ALA 18 -16.369 2.705 -1.295
155 3HB ALA 18 3HB ALA 18 -16.557 4.175 -0.340
156 H GLN 19 H GLN 19 -15.150 0.555 -0.509
157 HA GLN 19 HA GLN 19 -17.014 -1.565 -0.258
158 1HB GLN 19 2HB GLN 19 -14.048 -1.561 -0.873
159 2HB GLN 19 1HB GLN 19 -15.043 -3.010 -0.944
160 1HG GLN 19 2HG GLN 19 -16.393 -2.030 -2.686
161 2HG GLN 19 1HG GLN 19 -15.479 -0.527 -2.596
162 1HE2 GLN 19 1HE2 GLN 19 -13.390 -0.472 -3.462
163 2HE2 GLN 19 2HE2 GLN 19 -12.796 -1.703 -4.519
164 H GLY 20 H GLY 20 -14.514 -0.392 1.845
165 1HA GLY 20 2HA GLY 20 -13.810 -1.072 3.932
166 2HA GLY 20 1HA GLY 20 -15.090 -2.279 3.924
167 H ARG 21 H ARG 21 -13.138 -2.435 1.150
168 HA ARG 21 HA ARG 21 -11.314 -4.439 2.259
169 1HB ARG 21 2HB ARG 21 -13.432 -5.639 1.878
170 2HB ARG 21 1HB ARG 21 -13.458 -5.086 0.212
171 1HG ARG 21 2HG ARG 21 -11.336 -6.370 -0.162
172 2HG ARG 21 1HG ARG 21 -11.531 -7.037 1.463
173 1HD ARG 21 2HD ARG 21 -13.819 -7.821 0.760
174 2HD ARG 21 1HD ARG 21 -13.409 -7.336 -0.884
175 HE ARG 21 HE ARG 21 -12.166 -9.520 0.639
176 1HH1 ARG 21 1HH1 ARG 21 -12.635 -7.882 -2.368
177 2HH1 ARG 21 2HH1 ARG 21 -12.048 -9.217 -3.300
178 1HH2 ARG 21 1HH2 ARG 21 -11.459 -11.210 -0.562
179 2HH2 ARG 21 2HH2 ARG 21 -11.386 -11.082 -2.285
180 H PHE 22 H PHE 22 -9.403 -3.764 1.352
181 HA PHE 22 HA PHE 22 -9.322 -2.789 -1.401
182 1HB PHE 22 2HB PHE 22 -7.987 -1.655 0.384
183 2HB PHE 22 1HB PHE 22 -7.034 -3.123 0.565
184 HD1 PHE 22 HD1 PHE 22 -8.031 -0.580 -1.964
185 HD2 PHE 22 HD2 PHE 22 -5.086 -3.405 -0.735
186 HE1 PHE 22 HE1 PHE 22 -6.533 0.203 -3.743
187 HE2 PHE 22 HE2 PHE 22 -3.595 -2.624 -2.515
188 HZ PHE 22 HZ PHE 22 -4.317 -0.820 -4.023
189 H GLU 23 H GLU 23 -9.306 -4.287 -2.962
190 HA GLU 23 HA GLU 23 -8.071 -6.902 -2.487
191 1HB GLU 23 2HB GLU 23 -10.372 -6.768 -3.404
192 2HB GLU 23 1HB GLU 23 -9.747 -5.927 -4.814
193 1HG GLU 23 2HG GLU 23 -8.518 -7.870 -5.507
194 2HG GLU 23 1HG GLU 23 -8.923 -8.714 -4.014
195 H GLY 24 H GLY 24 -7.190 -3.945 -3.766
196 1HA GLY 24 2HA GLY 24 -4.872 -3.676 -4.466
197 2HA GLY 24 1HA GLY 24 -5.020 -5.181 -5.359
198 H SER 25 H SER 25 -4.014 -3.393 -6.884
199 HA SER 25 HA SER 25 -6.192 -2.100 -8.403
200 1HB SER 25 2HB SER 25 -4.533 -0.688 -9.411
201 2HB SER 25 1HB SER 25 -4.186 -0.716 -7.684
202 HG SER 25 HG SER 25 -2.483 -2.098 -8.051
203 H ALA 26 H ALA 26 -5.267 -1.990 -10.931
204 HA ALA 26 HA ALA 26 -5.883 -4.439 -12.055
205 1HB ALA 26 1HB ALA 26 -5.041 -3.560 -14.156
206 2HB ALA 26 2HB ALA 26 -4.124 -2.319 -13.300
207 3HB ALA 26 3HB ALA 26 -5.887 -2.289 -13.272
208 H VAL 27 H VAL 27 -2.648 -3.150 -11.325
209 HA VAL 27 HA VAL 27 -1.222 -5.317 -12.480
210 HB VAL 27 HB VAL 27 -0.175 -3.132 -12.139
211 1HG1 VAL 27 1HG1 VAL 27 0.588 -2.434 -9.902
212 2HG1 VAL 27 2HG1 VAL 27 -0.310 -3.775 -9.192
213 3HG1 VAL 27 3HG1 VAL 27 -1.172 -2.484 -10.029
214 1HG2 VAL 27 1HG2 VAL 27 1.993 -3.916 -11.272
215 2HG2 VAL 27 2HG2 VAL 27 1.264 -5.080 -12.377
216 3HG2 VAL 27 3HG2 VAL 27 1.206 -5.363 -10.638
217 H ASP 28 H ASP 28 -2.276 -4.667 -9.128
218 HA ASP 28 HA ASP 28 -1.001 -6.860 -7.912
219 1HB ASP 28 2HB ASP 28 -3.620 -5.536 -7.157
220 2HB ASP 28 1HB ASP 28 -2.692 -6.616 -6.119
221 H LEU 29 H LEU 29 -4.277 -6.604 -9.309
222 HA LEU 29 HA LEU 29 -4.991 -9.315 -8.938
223 1HB LEU 29 2HB LEU 29 -5.965 -7.154 -10.786
224 2HB LEU 29 1HB LEU 29 -6.558 -8.794 -10.960
225 HG LEU 29 HG LEU 29 -8.121 -7.462 -9.662
226 1HD1 LEU 29 1HD1 LEU 29 -6.687 -9.477 -7.933
227 2HD1 LEU 29 2HD1 LEU 29 -7.927 -9.835 -9.138
228 3HD1 LEU 29 3HD1 LEU 29 -8.337 -8.894 -7.704
229 1HD2 LEU 29 1HD2 LEU 29 -7.527 -6.574 -7.450
230 2HD2 LEU 29 2HD2 LEU 29 -6.601 -5.803 -8.738
231 3HD2 LEU 29 3HD2 LEU 29 -5.844 -7.030 -7.723
232 H ALA 30 H ALA 30 -3.222 -7.678 -11.524
233 HA ALA 30 HA ALA 30 -3.103 -9.804 -13.366
234 1HB ALA 30 1HB ALA 30 -1.038 -7.657 -12.861
235 2HB ALA 30 2HB ALA 30 -2.432 -7.517 -13.931
236 3HB ALA 30 3HB ALA 30 -1.149 -8.669 -14.300
237 H ASP 31 H ASP 31 -0.899 -8.946 -10.689
238 HA ASP 31 HA ASP 31 0.772 -11.233 -10.975
239 1HB ASP 31 2HB ASP 31 0.271 -9.341 -8.670
240 2HB ASP 31 1HB ASP 31 1.415 -10.676 -8.567
241 H GLY 32 H GLY 32 -2.241 -10.638 -9.278
242 1HA GLY 32 2HA GLY 32 -3.767 -12.448 -8.839
243 2HA GLY 32 1HA GLY 32 -2.389 -13.513 -8.606
244 H PHE 33 H PHE 33 -1.328 -10.968 -7.062
245 HA PHE 33 HA PHE 33 -2.903 -11.062 -4.641
246 1HB PHE 33 2HB PHE 33 -0.796 -11.687 -3.277
247 2HB PHE 33 1HB PHE 33 -1.670 -12.980 -4.087
248 HD1 PHE 33 HD2 PHE 33 1.366 -10.881 -4.208
249 HD2 PHE 33 HD1 PHE 33 -0.666 -14.263 -5.815
250 HE1 PHE 33 HE2 PHE 33 3.428 -11.585 -5.345
251 HE2 PHE 33 HE1 PHE 33 1.396 -14.966 -6.950
252 HZ PHE 33 HZ PHE 33 3.447 -13.627 -6.713
253 H ILE 34 H ILE 34 -2.151 -9.506 -3.023
254 HA ILE 34 HA ILE 34 -1.538 -7.060 -4.378
255 HB ILE 34 HB ILE 34 -1.869 -7.501 -1.399
256 1HG1 ILE 34 2HG1 ILE 34 -3.940 -6.764 -3.496
257 2HG1 ILE 34 1HG1 ILE 34 -3.824 -8.317 -2.673
258 1HG2 ILE 34 1HG2 ILE 34 -2.178 -4.992 -3.064
259 2HG2 ILE 34 2HG2 ILE 34 -0.820 -5.356 -2.000
260 3HG2 ILE 34 3HG2 ILE 34 -2.433 -5.127 -1.323
261 1HD1 ILE 34 1HD1 ILE 34 -4.275 -7.190 -0.537
262 2HD1 ILE 34 2HD1 ILE 34 -5.579 -6.985 -1.705
263 3HD1 ILE 34 3HD1 ILE 34 -4.454 -5.662 -1.399
264 H HIS 35 H HIS 35 0.229 -5.757 -4.255
265 HA HIS 35 HA HIS 35 2.512 -6.608 -2.596
266 1HB HIS 35 2HB HIS 35 3.950 -5.796 -4.631
267 2HB HIS 35 1HB HIS 35 3.263 -7.416 -4.643
268 HD1 HIS 35 HD1 HIS 35 2.519 -3.968 -6.051
269 HD2 HIS 35 HD2 HIS 35 1.708 -7.970 -6.799
270 HE1 HIS 35 HE1 HIS 35 1.370 -4.017 -8.279
271 HE2 HIS 35 HE2 HIS 35 1.079 -6.460 -8.796
272 H LEU 36 H LEU 36 2.562 -5.000 -1.136
273 HA LEU 36 HA LEU 36 1.678 -2.333 -1.815
274 1HB LEU 36 2HB LEU 36 2.677 -3.452 0.808
275 2HB LEU 36 1HB LEU 36 1.992 -1.853 0.593
276 HG LEU 36 HG LEU 36 -0.128 -3.069 -0.233
277 1HD1 LEU 36 1HD1 LEU 36 -0.452 -5.332 0.651
278 2HD1 LEU 36 2HD1 LEU 36 1.236 -5.372 1.164
279 3HD1 LEU 36 3HD1 LEU 36 0.837 -5.277 -0.552
280 1HD2 LEU 36 1HD2 LEU 36 0.700 -3.322 2.662
281 2HD2 LEU 36 2HD2 LEU 36 -0.953 -3.355 2.048
282 3HD2 LEU 36 3HD2 LEU 36 0.010 -1.887 1.903
283 H SER 37 H SER 37 4.748 -3.884 -1.171
284 HA SER 37 HA SER 37 6.914 -3.181 -1.319
285 1HB SER 37 2HB SER 37 5.798 -0.531 -2.299
286 2HB SER 37 1HB SER 37 7.490 -1.021 -2.355
287 HG SER 37 HG SER 37 5.473 -1.604 -4.061
288 H ALA 38 H ALA 38 8.484 -1.601 -0.257
289 HA ALA 38 HA ALA 38 7.312 -0.191 2.035
290 1HB ALA 38 1HB ALA 38 8.741 -1.326 3.644
291 2HB ALA 38 2HB ALA 38 9.396 -2.348 2.363
292 3HB ALA 38 3HB ALA 38 7.697 -2.478 2.814
293 H GLY 39 H GLY 39 8.279 1.673 2.429
294 1HA GLY 39 2HA GLY 39 9.797 3.395 2.435
295 2HA GLY 39 1HA GLY 39 10.897 2.147 2.982
296 H GLU 40 H GLU 40 12.557 1.570 1.719
297 HA GLU 40 HA GLU 40 13.606 3.226 -0.201
298 1HB GLU 40 2HB GLU 40 14.729 1.336 1.088
299 2HB GLU 40 1HB GLU 40 14.094 0.242 -0.130
300 1HG GLU 40 2HG GLU 40 16.324 0.689 -0.735
301 2HG GLU 40 1HG GLU 40 15.318 1.615 -1.849
302 H GLN 41 H GLN 41 11.704 0.284 -0.737
303 HA GLN 41 HA GLN 41 11.874 0.289 -3.575
304 1HB GLN 41 2HB GLN 41 9.775 -0.992 -1.803
305 2HB GLN 41 1HB GLN 41 10.121 -1.414 -3.476
306 1HG GLN 41 2HG GLN 41 12.328 -2.207 -2.853
307 2HG GLN 41 1HG GLN 41 12.058 -1.712 -1.183
308 1HE2 GLN 41 1HE2 GLN 41 12.665 -4.344 -2.243
309 2HE2 GLN 41 2HE2 GLN 41 11.369 -5.376 -1.758
310 H ALA 42 H ALA 42 9.544 1.625 -1.289
311 HA ALA 42 HA ALA 42 7.538 2.285 -3.194
312 1HB ALA 42 1HB ALA 42 7.043 2.007 -0.817
313 2HB ALA 42 2HB ALA 42 6.535 3.596 -1.390
314 3HB ALA 42 3HB ALA 42 8.014 3.432 -0.440
315 H GLN 43 H GLN 43 10.077 4.236 -1.614
316 HA GLN 43 HA GLN 43 9.429 6.683 -2.854
317 1HB GLN 43 2HB GLN 43 10.791 6.723 -0.901
318 2HB GLN 43 1HB GLN 43 11.987 5.654 -1.624
319 1HG GLN 43 2HG GLN 43 12.751 7.366 -3.094
320 2HG GLN 43 1HG GLN 43 11.404 8.420 -2.666
321 1HE2 GLN 43 1HE2 GLN 43 11.502 9.607 -0.797
322 2HE2 GLN 43 2HE2 GLN 43 12.932 9.727 0.165
323 H GLU 44 H GLU 44 11.642 4.095 -3.863
324 HA GLU 44 HA GLU 44 12.703 5.421 -6.125
325 1HB GLU 44 2HB GLU 44 13.625 3.324 -5.083
326 2HB GLU 44 1HB GLU 44 12.288 2.440 -5.804
327 1HG GLU 44 2HG GLU 44 14.198 2.143 -7.192
328 2HG GLU 44 1HG GLU 44 13.073 3.195 -8.047
329 H THR 45 H THR 45 10.069 3.019 -5.878
330 HA THR 45 HA THR 45 9.185 3.135 -8.535
331 HB THR 45 HB THR 45 7.501 2.628 -6.064
332 HG1 THR 45 HG1 THR 45 8.759 0.921 -5.979
333 1HG2 THR 45 1HG2 THR 45 7.021 1.869 -8.958
334 2HG2 THR 45 2HG2 THR 45 6.108 3.061 -8.033
335 3HG2 THR 45 3HG2 THR 45 6.035 1.357 -7.587
336 H ALA 46 H ALA 46 8.458 5.224 -5.790
337 HA ALA 46 HA ALA 46 6.390 6.748 -6.922
338 1HB ALA 46 1HB ALA 46 6.975 8.458 -5.281
339 2HB ALA 46 2HB ALA 46 8.513 7.650 -4.971
340 3HB ALA 46 3HB ALA 46 6.997 6.855 -4.549
341 H ALA 47 H ALA 47 9.917 7.275 -6.971
342 HA ALA 47 HA ALA 47 9.895 9.661 -8.459
343 1HB ALA 47 1HB ALA 47 11.827 8.851 -7.157
344 2HB ALA 47 2HB ALA 47 12.265 9.277 -8.811
345 3HB ALA 47 3HB ALA 47 12.085 7.582 -8.353
346 H LYS 48 H LYS 48 10.090 6.279 -9.526
347 HA LYS 48 HA LYS 48 10.333 6.875 -12.299
348 1HB LYS 48 2HB LYS 48 9.598 4.418 -10.728
349 2HB LYS 48 1HB LYS 48 9.489 4.426 -12.476
350 1HG LYS 48 2HG LYS 48 12.003 5.030 -10.929
351 2HG LYS 48 1HG LYS 48 11.590 3.450 -11.599
352 1HD LYS 48 2HD LYS 48 11.474 4.512 -13.861
353 2HD LYS 48 1HD LYS 48 12.057 6.013 -13.138
354 1HE LYS 48 2HE LYS 48 13.529 3.371 -13.135
355 2HE LYS 48 1HE LYS 48 13.868 4.731 -14.204
356 1HZ LYS 48 1HZ LYS 48 14.455 6.066 -12.305
357 2HZ LYS 48 2HZ LYS 48 15.371 4.644 -12.297
358 3HZ LYS 48 3HZ LYS 48 14.060 4.809 -11.244
359 H TRP 49 H TRP 49 7.557 6.160 -10.204
360 HA TRP 49 HA TRP 49 5.764 6.422 -12.530
361 1HB TRP 49 2HB TRP 49 5.406 4.947 -9.917
362 2HB TRP 49 1HB TRP 49 4.117 5.163 -11.095
363 HD1 TRP 49 HD1 TRP 49 7.610 3.497 -10.845
364 HE1 TRP 49 HE1 TRP 49 7.638 1.479 -12.441
365 HE3 TRP 49 HE3 TRP 49 3.007 4.087 -12.984
366 HZ2 TRP 49 HZ2 TRP 49 5.932 0.286 -14.350
367 HZ3 TRP 49 HZ3 TRP 49 2.275 2.464 -14.681
368 HH2 TRP 49 HH2 TRP 49 3.708 0.602 -15.350
369 H PHE 50 H PHE 50 5.620 7.072 -8.993
370 HA PHE 50 HA PHE 50 3.107 8.424 -9.364
371 1HB PHE 50 2HB PHE 50 4.762 7.951 -6.879
372 2HB PHE 50 1HB PHE 50 3.158 8.677 -6.880
373 HD1 PHE 50 HD2 PHE 50 1.182 7.335 -7.500
374 HD2 PHE 50 HD1 PHE 50 5.052 5.580 -7.149
375 HE1 PHE 50 HE2 PHE 50 0.160 5.097 -7.389
376 HE2 PHE 50 HE1 PHE 50 4.034 3.347 -7.039
377 HZ PHE 50 HZ PHE 50 1.586 3.101 -7.156
378 H ARG 51 H ARG 51 6.233 9.580 -9.616
379 HA ARG 51 HA ARG 51 6.172 11.922 -8.069
380 1HB ARG 51 2HB ARG 51 8.202 12.494 -9.043
381 2HB ARG 51 1HB ARG 51 8.176 10.745 -9.177
382 1HG ARG 51 2HG ARG 51 7.539 12.695 -11.390
383 2HG ARG 51 1HG ARG 51 9.045 11.805 -11.197
384 1HD ARG 51 2HD ARG 51 7.816 9.687 -11.487
385 2HD ARG 51 1HD ARG 51 6.318 10.596 -11.705
386 HE ARG 51 HE ARG 51 8.552 11.156 -13.507
387 1HH1 ARG 51 1HH1 ARG 51 5.468 9.682 -13.058
388 2HH1 ARG 51 2HH1 ARG 51 5.126 9.652 -14.753
389 1HH2 ARG 51 1HH2 ARG 51 8.102 11.098 -15.653
390 2HH2 ARG 51 2HH2 ARG 51 6.598 10.437 -16.198
391 H GLY 52 H GLY 52 4.074 11.398 -10.528
392 1HA GLY 52 2HA GLY 52 3.693 14.267 -10.967
393 2HA GLY 52 1HA GLY 52 3.978 13.285 -12.394
394 H GLN 53 H GLN 53 2.065 12.422 -9.524
395 HA GLN 53 HA GLN 53 -0.362 12.452 -11.214
396 1HB GLN 53 2HB GLN 53 0.594 10.347 -9.296
397 2HB GLN 53 1HB GLN 53 -1.128 10.562 -9.560
398 1HG GLN 53 2HG GLN 53 -0.388 8.812 -10.978
399 2HG GLN 53 1HG GLN 53 -0.748 10.206 -11.991
400 1HE2 GLN 53 1HE2 GLN 53 2.156 9.966 -10.083
401 2HE2 GLN 53 2HE2 GLN 53 3.239 9.764 -11.411
402 H ALA 54 H ALA 54 -2.401 12.270 -9.732
403 HA ALA 54 HA ALA 54 -2.145 14.311 -7.606
404 1HB ALA 54 1HB ALA 54 -4.433 14.971 -8.130
405 2HB ALA 54 2HB ALA 54 -4.528 13.713 -9.363
406 3HB ALA 54 3HB ALA 54 -3.410 15.061 -9.563
407 H ASN 55 H ASN 55 -3.683 14.200 -5.822
408 HA ASN 55 HA ASN 55 -4.784 13.183 -4.108
409 1HB ASN 55 2HB ASN 55 -5.684 11.347 -6.340
410 2HB ASN 55 1HB ASN 55 -6.362 11.328 -4.717
411 1HD2 ASN 55 1HD2 ASN 55 -6.293 14.192 -4.360
412 2HD2 ASN 55 2HD2 ASN 55 -7.540 14.830 -5.371
413 H LEU 56 H LEU 56 -2.051 12.431 -4.442
414 HA LEU 56 HA LEU 56 -1.778 9.585 -4.226
415 1HB LEU 56 2HB LEU 56 0.191 11.801 -3.636
416 2HB LEU 56 1HB LEU 56 0.591 10.093 -3.658
417 HG LEU 56 HG LEU 56 -0.358 11.722 -6.025
418 1HD1 LEU 56 1HD1 LEU 56 1.883 11.340 -6.908
419 2HD1 LEU 56 2HD1 LEU 56 2.332 10.488 -5.431
420 3HD1 LEU 56 3HD1 LEU 56 1.947 12.208 -5.374
421 1HD2 LEU 56 1HD2 LEU 56 0.032 9.711 -7.352
422 2HD2 LEU 56 2HD2 LEU 56 -1.192 9.415 -6.118
423 3HD2 LEU 56 3HD2 LEU 56 0.449 8.812 -5.892
424 H VAL 57 H VAL 57 -1.873 8.323 -2.492
425 HA VAL 57 HA VAL 57 -1.879 9.526 0.210
426 HB VAL 57 HB VAL 57 -3.492 7.135 -0.735
427 1HG1 VAL 57 1HG1 VAL 57 -3.482 8.524 1.953
428 2HG1 VAL 57 2HG1 VAL 57 -2.809 6.930 1.613
429 3HG1 VAL 57 3HG1 VAL 57 -4.546 7.200 1.473
430 1HG2 VAL 57 1HG2 VAL 57 -4.405 9.914 0.014
431 2HG2 VAL 57 2HG2 VAL 57 -5.454 8.560 -0.407
432 3HG2 VAL 57 3HG2 VAL 57 -4.365 9.241 -1.616
433 H LEU 58 H LEU 58 -0.845 8.388 1.850
434 HA LEU 58 HA LEU 58 0.894 6.159 0.979
435 1HB LEU 58 2HB LEU 58 2.075 8.269 1.528
436 2HB LEU 58 1HB LEU 58 1.395 8.214 3.144
437 HG LEU 58 HG LEU 58 2.623 6.073 3.541
438 1HD1 LEU 58 1HD1 LEU 58 4.447 5.472 1.996
439 2HD1 LEU 58 2HD1 LEU 58 3.861 6.686 0.857
440 3HD1 LEU 58 3HD1 LEU 58 2.851 5.298 1.265
441 1HD2 LEU 58 1HD2 LEU 58 4.828 7.101 3.811
442 2HD2 LEU 58 2HD2 LEU 58 3.545 8.205 4.306
443 3HD2 LEU 58 3HD2 LEU 58 4.349 8.428 2.751
444 H LEU 59 H LEU 59 -0.165 4.343 1.664
445 HA LEU 59 HA LEU 59 -1.481 4.261 4.251
446 1HB LEU 59 2HB LEU 59 -1.075 2.101 2.182
447 2HB LEU 59 1HB LEU 59 -2.037 1.926 3.635
448 HG LEU 59 HG LEU 59 -2.618 3.812 1.342
449 1HD1 LEU 59 1HD1 LEU 59 -4.051 1.314 2.247
450 2HD1 LEU 59 2HD1 LEU 59 -3.030 1.453 0.817
451 3HD1 LEU 59 3HD1 LEU 59 -4.530 2.372 0.919
452 1HD2 LEU 59 1HD2 LEU 59 -4.715 4.276 2.520
453 2HD2 LEU 59 2HD2 LEU 59 -3.315 4.771 3.472
454 3HD2 LEU 59 3HD2 LEU 59 -4.175 3.284 3.876
455 H ALA 60 H ALA 60 -0.432 3.844 6.067
456 HA ALA 60 HA ALA 60 2.111 2.360 6.002
457 1HB ALA 60 1HB ALA 60 0.962 4.162 8.142
458 2HB ALA 60 2HB ALA 60 2.215 4.596 6.978
459 3HB ALA 60 3HB ALA 60 2.535 3.367 8.203
460 H VAL 61 H VAL 61 1.982 0.244 6.519
461 HA VAL 61 HA VAL 61 0.047 -0.591 8.603
462 HB VAL 61 HB VAL 61 0.820 -2.205 6.155
463 1HG1 VAL 61 1HG1 VAL 61 -0.945 -3.756 6.887
464 2HG1 VAL 61 2HG1 VAL 61 -1.181 -2.791 8.345
465 3HG1 VAL 61 3HG1 VAL 61 0.350 -3.626 8.076
466 1HG2 VAL 61 1HG2 VAL 61 -0.622 -0.328 5.544
467 2HG2 VAL 61 2HG2 VAL 61 -1.783 -0.798 6.786
468 3HG2 VAL 61 3HG2 VAL 61 -1.493 -1.856 5.404
469 H GLU 62 H GLU 62 0.803 -1.909 10.197
470 HA GLU 62 HA GLU 62 3.638 -2.416 10.392
471 1HB GLU 62 2HB GLU 62 1.390 -3.330 12.214
472 2HB GLU 62 1HB GLU 62 3.107 -3.357 12.595
473 1HG GLU 62 2HG GLU 62 3.176 -0.907 12.456
474 2HG GLU 62 1HG GLU 62 1.454 -0.881 12.086
475 H ALA 63 H ALA 63 4.721 -4.304 10.006
476 HA ALA 63 HA ALA 63 3.308 -6.271 8.412
477 1HB ALA 63 1HB ALA 63 5.450 -5.347 7.674
478 2HB ALA 63 2HB ALA 63 5.517 -7.103 7.834
479 3HB ALA 63 3HB ALA 63 6.245 -6.077 9.071
480 H GLU 64 H GLU 64 4.655 -6.189 11.639
481 HA GLU 64 HA GLU 64 5.158 -8.945 11.958
482 1HB GLU 64 2HB GLU 64 4.675 -6.750 13.961
483 2HB GLU 64 1HB GLU 64 5.026 -8.402 14.450
484 1HG GLU 64 2HG GLU 64 7.008 -6.937 14.461
485 2HG GLU 64 1HG GLU 64 7.179 -8.325 13.389
486 HA PRO 65 HA PRO 65 0.766 -9.033 14.334
487 1HB PRO 65 2HB PRO 65 -1.089 -7.722 12.649
488 2HB PRO 65 1HB PRO 65 -0.538 -7.186 14.237
489 1HG PRO 65 2HG PRO 65 0.402 -6.369 11.528
490 2HG PRO 65 1HG PRO 65 0.247 -5.400 13.006
491 1HD PRO 65 2HD PRO 65 2.642 -6.214 12.149
492 2HD PRO 65 1HD PRO 65 2.261 -6.200 13.884
493 H LEU 66 H LEU 66 0.072 -8.554 10.837
494 HA LEU 66 HA LEU 66 -1.380 -10.941 10.581
495 1HB LEU 66 2HB LEU 66 -1.365 -10.601 8.206
496 2HB LEU 66 1HB LEU 66 -1.589 -9.064 9.012
497 HG LEU 66 HG LEU 66 1.065 -9.973 7.876
498 1HD1 LEU 66 1HD1 LEU 66 -1.008 -8.166 6.629
499 2HD1 LEU 66 2HD1 LEU 66 -0.585 -9.789 6.086
500 3HD1 LEU 66 3HD1 LEU 66 0.604 -8.491 5.991
501 1HD2 LEU 66 1HD2 LEU 66 1.567 -7.528 7.971
502 2HD2 LEU 66 2HD2 LEU 66 1.368 -8.285 9.547
503 3HD2 LEU 66 3HD2 LEU 66 0.065 -7.304 8.872
504 H GLY 67 H GLY 67 2.058 -10.389 10.303
505 1HA GLY 67 2HA GLY 67 3.812 -11.860 10.271
506 2HA GLY 67 1HA GLY 67 2.680 -13.044 10.892
507 H GLU 68 H GLU 68 2.092 -14.717 9.598
508 HA GLU 68 HA GLU 68 3.865 -15.398 7.538
509 1HB GLU 68 2HB GLU 68 1.219 -16.660 8.281
510 2HB GLU 68 1HB GLU 68 2.375 -17.373 7.168
511 1HG GLU 68 2HG GLU 68 2.638 -18.445 9.267
512 2HG GLU 68 1HG GLU 68 4.041 -17.405 9.027
513 H ASP 69 H ASP 69 0.755 -13.829 7.336
514 HA ASP 69 HA ASP 69 0.231 -14.569 4.624
515 1HB ASP 69 2HB ASP 69 -0.980 -12.417 6.366
516 2HB ASP 69 1HB ASP 69 -1.579 -12.859 4.768
517 H LEU 70 H LEU 70 2.425 -12.394 5.916
518 HA LEU 70 HA LEU 70 2.638 -10.991 3.319
519 1HB LEU 70 2HB LEU 70 2.067 -9.474 5.188
520 2HB LEU 70 1HB LEU 70 3.504 -9.999 6.046
521 HG LEU 70 HG LEU 70 4.912 -9.045 4.236
522 1HD1 LEU 70 1HD1 LEU 70 3.899 -7.559 2.574
523 2HD1 LEU 70 2HD1 LEU 70 2.292 -8.014 3.141
524 3HD1 LEU 70 3HD1 LEU 70 3.337 -9.219 2.388
525 1HD2 LEU 70 1HD2 LEU 70 4.534 -6.691 4.803
526 2HD2 LEU 70 2HD2 LEU 70 4.430 -7.726 6.228
527 3HD2 LEU 70 3HD2 LEU 70 2.958 -7.105 5.480
528 H LYS 71 H LYS 71 4.354 -11.673 2.170
529 HA LYS 71 HA LYS 71 6.784 -12.513 3.616
530 1HB LYS 71 2HB LYS 71 5.507 -14.530 3.026
531 2HB LYS 71 1HB LYS 71 5.498 -14.040 1.339
532 1HG LYS 71 2HG LYS 71 7.863 -14.339 1.159
533 2HG LYS 71 1HG LYS 71 8.019 -14.581 2.899
534 1HD LYS 71 2HD LYS 71 8.140 -16.700 1.652
535 2HD LYS 71 1HD LYS 71 6.761 -16.658 2.752
536 1HE LYS 71 2HE LYS 71 5.249 -16.228 0.936
537 2HE LYS 71 1HE LYS 71 6.586 -16.016 -0.192
538 1HZ LYS 71 1HZ LYS 71 5.852 -18.539 1.182
539 2HZ LYS 71 2HZ LYS 71 7.173 -18.348 0.151
540 3HZ LYS 71 3HZ LYS 71 5.600 -18.188 -0.451
541 H TRP 72 H TRP 72 8.659 -11.823 2.790
542 HA TRP 72 HA TRP 72 8.649 -10.062 0.491
543 1HB TRP 72 2HB TRP 72 10.920 -10.958 2.292
544 2HB TRP 72 1HB TRP 72 11.049 -9.721 1.048
545 HD1 TRP 72 HD1 TRP 72 8.946 -10.317 4.271
546 HE1 TRP 72 HE1 TRP 72 8.621 -8.042 5.432
547 HE3 TRP 72 HE3 TRP 72 11.273 -7.321 0.843
548 HZ2 TRP 72 HZ2 TRP 72 9.260 -5.336 4.953
549 HZ3 TRP 72 HZ3 TRP 72 11.372 -4.897 1.270
550 HH2 TRP 72 HH2 TRP 72 10.385 -3.927 3.283
551 H GLU 73 H GLU 73 8.187 -11.453 -1.245
552 HA GLU 73 HA GLU 73 9.685 -13.854 -1.718
553 1HB GLU 73 2HB GLU 73 7.651 -12.320 -3.323
554 2HB GLU 73 1HB GLU 73 8.473 -13.726 -3.986
555 1HG GLU 73 2HG GLU 73 6.951 -13.816 -1.391
556 2HG GLU 73 1HG GLU 73 6.193 -14.112 -2.956
557 H ALA 74 H ALA 74 11.565 -14.102 -2.732
558 HA ALA 74 HA ALA 74 13.032 -11.887 -3.758
559 1HB ALA 74 1HB ALA 74 13.608 -14.844 -4.003
560 2HB ALA 74 2HB ALA 74 14.130 -13.791 -2.688
561 3HB ALA 74 3HB ALA 74 14.747 -13.534 -4.319
562 H SER 75 H SER 75 13.124 -11.077 -5.755
563 HA SER 75 HA SER 75 11.337 -12.002 -7.793
564 1HB SER 75 2HB SER 75 12.204 -10.104 -9.108
565 2HB SER 75 1HB SER 75 11.792 -9.609 -7.466
566 HG SER 75 HG SER 75 13.802 -9.112 -7.129
567 H ARG 76 H ARG 76 12.217 -12.000 -10.148
568 HA ARG 76 HA ARG 76 13.937 -14.214 -10.518
569 1HB ARG 76 2HB ARG 76 12.149 -13.501 -12.096
570 2HB ARG 76 1HB ARG 76 13.118 -12.099 -12.527
571 1HG ARG 76 2HG ARG 76 14.885 -13.620 -13.359
572 2HG ARG 76 1HG ARG 76 13.830 -14.991 -13.001
573 1HD ARG 76 2HD ARG 76 12.142 -14.074 -14.540
574 2HD ARG 76 1HD ARG 76 13.230 -12.738 -14.919
575 HE ARG 76 HE ARG 76 14.092 -15.494 -15.423
576 1HH1 ARG 76 1HH1 ARG 76 13.284 -12.360 -16.596
577 2HH1 ARG 76 2HH1 ARG 76 13.799 -12.715 -18.209
578 1HH2 ARG 76 1HH2 ARG 76 14.750 -15.934 -17.507
579 2HH2 ARG 76 2HH2 ARG 76 14.608 -14.707 -18.716
580 H GLY 77 H GLY 77 14.492 -10.752 -10.460
581 1HA GLY 77 2HA GLY 77 17.208 -10.900 -11.421
582 2HA GLY 77 1HA GLY 77 16.423 -9.498 -10.712
583 H GLY 78 H GLY 78 15.677 -10.591 -8.220
584 1HA GLY 78 2HA GLY 78 17.277 -12.098 -6.706
585 2HA GLY 78 1HA GLY 78 18.287 -10.676 -6.900
586 H ALA 79 H ALA 79 16.478 -8.624 -6.686
587 HA ALA 79 HA ALA 79 16.282 -8.299 -3.918
588 1HB ALA 79 1HB ALA 79 14.794 -6.772 -6.058
589 2HB ALA 79 2HB ALA 79 16.435 -6.438 -5.506
590 3HB ALA 79 3HB ALA 79 15.077 -6.237 -4.399
591 H ARG 80 H ARG 80 14.611 -8.384 -2.448
592 HA ARG 80 HA ARG 80 12.409 -10.170 -3.117
593 1HB ARG 80 2HB ARG 80 13.299 -8.958 -0.491
594 2HB ARG 80 1HB ARG 80 11.959 -10.085 -0.660
595 1HG ARG 80 2HG ARG 80 13.430 -11.841 -1.358
596 2HG ARG 80 1HG ARG 80 14.797 -10.726 -1.448
597 1HD ARG 80 2HD ARG 80 13.278 -11.428 1.070
598 2HD ARG 80 1HD ARG 80 14.840 -12.102 0.599
599 HE ARG 80 HE ARG 80 15.663 -9.733 0.689
600 1HH1 ARG 80 1HH1 ARG 80 12.997 -10.760 2.616
601 2HH1 ARG 80 2HH1 ARG 80 13.252 -9.535 3.808
602 1HH2 ARG 80 1HH2 ARG 80 15.985 -8.191 2.225
603 2HH2 ARG 80 2HH2 ARG 80 14.929 -8.099 3.593
604 H PHE 81 H PHE 81 10.205 -9.692 -2.806
605 HA PHE 81 HA PHE 81 9.507 -6.863 -2.353
606 1HB PHE 81 2HB PHE 81 8.378 -8.693 -4.486
607 2HB PHE 81 1HB PHE 81 7.664 -7.146 -4.045
608 HD1 PHE 81 HD2 PHE 81 8.905 -5.043 -4.473
609 HD2 PHE 81 HD1 PHE 81 10.312 -8.805 -5.890
610 HE1 PHE 81 HE2 PHE 81 10.402 -3.889 -6.047
611 HE2 PHE 81 HE1 PHE 81 11.806 -7.652 -7.467
612 HZ PHE 81 HZ PHE 81 11.853 -5.195 -7.550
613 HA PRO 82 HA PRO 82 6.940 -8.761 0.788
614 1HB PRO 82 2HB PRO 82 5.583 -6.501 1.531
615 2HB PRO 82 1HB PRO 82 7.230 -6.866 2.055
616 1HG PRO 82 2HG PRO 82 6.297 -5.071 -0.156
617 2HG PRO 82 1HG PRO 82 7.578 -4.798 1.042
618 1HD PRO 82 2HD PRO 82 8.116 -5.568 -1.496
619 2HD PRO 82 1HD PRO 82 9.113 -6.086 -0.122
620 H HIS 83 H HIS 83 5.586 -10.096 -0.359
621 HA HIS 83 HA HIS 83 3.283 -8.946 -1.766
622 1HB HIS 83 2HB HIS 83 4.375 -11.769 -1.701
623 2HB HIS 83 1HB HIS 83 2.947 -11.276 -2.604
624 HD1 HIS 83 HD1 HIS 83 5.673 -12.432 -3.820
625 HD2 HIS 83 HD2 HIS 83 4.468 -8.458 -3.779
626 HE1 HIS 83 HE1 HIS 83 6.886 -11.344 -5.726
627 HE2 HIS 83 HE2 HIS 83 5.956 -9.011 -5.823
628 H LEU 84 H LEU 84 1.360 -8.875 -0.860
629 HA LEU 84 HA LEU 84 0.813 -10.353 1.604
630 1HB LEU 84 2HB LEU 84 0.375 -7.966 1.639
631 2HB LEU 84 1HB LEU 84 -0.652 -8.096 0.225
632 HG LEU 84 HG LEU 84 -2.302 -9.372 1.511
633 1HD1 LEU 84 1HD1 LEU 84 -2.071 -9.621 3.936
634 2HD1 LEU 84 2HD1 LEU 84 -0.435 -8.968 3.845
635 3HD1 LEU 84 3HD1 LEU 84 -0.818 -10.503 3.065
636 1HD2 LEU 84 1HD2 LEU 84 -3.075 -7.570 2.967
637 2HD2 LEU 84 2HD2 LEU 84 -2.474 -6.923 1.442
638 3HD2 LEU 84 3HD2 LEU 84 -1.484 -6.813 2.898
639 H TYR 85 H TYR 85 -0.122 -12.293 1.405
640 HA TYR 85 HA TYR 85 -1.621 -12.983 -1.000
641 1HB TYR 85 2HB TYR 85 -0.775 -14.660 1.377
642 2HB TYR 85 1HB TYR 85 -1.601 -15.286 -0.049
643 HD1 TYR 85 HD1 TYR 85 -0.448 -14.939 -2.326
644 HD2 TYR 85 HD2 TYR 85 1.583 -14.513 1.392
645 HE1 TYR 85 HE1 TYR 85 1.706 -15.221 -3.476
646 HE2 TYR 85 HE2 TYR 85 3.741 -14.791 0.249
647 HH TYR 85 HH TYR 85 4.570 -15.871 -1.891
648 H ARG 86 H ARG 86 -2.678 -11.149 1.142
649 HA ARG 86 HA ARG 86 -5.310 -12.446 1.434
650 1HB ARG 86 2HB ARG 86 -3.987 -10.653 3.491
651 2HB ARG 86 1HB ARG 86 -5.613 -11.308 3.597
652 1HG ARG 86 2HG ARG 86 -3.080 -12.935 3.587
653 2HG ARG 86 1HG ARG 86 -4.015 -12.499 5.016
654 1HD ARG 86 2HD ARG 86 -5.972 -13.689 3.991
655 2HD ARG 86 1HD ARG 86 -4.878 -14.267 2.731
656 HE ARG 86 HE ARG 86 -4.117 -14.805 5.487
657 1HH1 ARG 86 1HH1 ARG 86 -5.466 -16.014 2.553
658 2HH1 ARG 86 2HH1 ARG 86 -5.273 -17.665 3.029
659 1HH2 ARG 86 1HH2 ARG 86 -3.876 -16.907 6.078
660 2HH2 ARG 86 2HH2 ARG 86 -4.377 -18.168 4.999
661 HA PRO 87 HA PRO 87 -6.821 -8.587 -0.429
662 1HB PRO 87 2HB PRO 87 -9.278 -9.267 1.117
663 2HB PRO 87 1HB PRO 87 -9.097 -8.901 -0.604
664 1HG PRO 87 2HG PRO 87 -9.524 -11.406 0.200
665 2HG PRO 87 1HG PRO 87 -8.396 -11.063 -1.127
666 1HD PRO 87 2HD PRO 87 -7.804 -11.711 1.747
667 2HD PRO 87 1HD PRO 87 -6.985 -12.278 0.274
668 H LEU 88 H LEU 88 -6.224 -6.683 0.434
669 HA LEU 88 HA LEU 88 -5.713 -6.413 3.210
670 1HB LEU 88 2HB LEU 88 -4.352 -5.310 1.492
671 2HB LEU 88 1HB LEU 88 -5.719 -4.313 1.038
672 HG LEU 88 HG LEU 88 -5.677 -3.255 3.280
673 1HD1 LEU 88 1HD1 LEU 88 -4.712 -5.073 4.569
674 2HD1 LEU 88 2HD1 LEU 88 -3.732 -3.617 4.743
675 3HD1 LEU 88 3HD1 LEU 88 -3.192 -4.922 3.687
676 1HD2 LEU 88 1HD2 LEU 88 -4.479 -2.231 1.394
677 2HD2 LEU 88 2HD2 LEU 88 -3.029 -3.137 1.827
678 3HD2 LEU 88 3HD2 LEU 88 -3.668 -1.918 2.930
679 H LEU 89 H LEU 89 -7.719 -6.734 4.239
680 HA LEU 89 HA LEU 89 -10.030 -5.196 3.865
681 1HB LEU 89 2HB LEU 89 -8.980 -6.387 6.444
682 2HB LEU 89 1HB LEU 89 -10.627 -5.855 6.163
683 HG LEU 89 HG LEU 89 -9.244 -8.176 4.803
684 1HD1 LEU 89 1HD1 LEU 89 -10.869 -9.553 5.995
685 2HD1 LEU 89 2HD1 LEU 89 -11.524 -8.118 6.784
686 3HD1 LEU 89 3HD1 LEU 89 -9.870 -8.633 7.119
687 1HD2 LEU 89 1HD2 LEU 89 -11.409 -8.622 3.750
688 2HD2 LEU 89 2HD2 LEU 89 -10.764 -7.057 3.260
689 3HD2 LEU 89 3HD2 LEU 89 -12.060 -7.141 4.454
690 H VAL 90 H VAL 90 -10.615 -3.162 4.489
691 HA VAL 90 HA VAL 90 -8.679 -1.263 5.238
692 HB VAL 90 HB VAL 90 -11.692 -1.077 5.510
693 1HG1 VAL 90 1HG1 VAL 90 -10.568 0.633 6.852
694 2HG1 VAL 90 2HG1 VAL 90 -11.370 1.352 5.456
695 3HG1 VAL 90 3HG1 VAL 90 -9.621 1.127 5.448
696 1HG2 VAL 90 1HG2 VAL 90 -9.888 -0.144 3.269
697 2HG2 VAL 90 2HG2 VAL 90 -11.644 0.016 3.345
698 3HG2 VAL 90 3HG2 VAL 90 -10.911 -1.582 3.223
699 H SER 91 H SER 91 -10.859 -3.241 7.143
700 HA SER 91 HA SER 91 -10.378 -1.955 9.658
701 1HB SER 91 2HB SER 91 -11.347 -4.764 9.048
702 2HB SER 91 1HB SER 91 -11.333 -4.040 10.655
703 HG SER 91 HG SER 91 -12.888 -2.616 10.042
704 H GLU 92 H GLU 92 -8.426 -3.904 7.719
705 HA GLU 92 HA GLU 92 -6.814 -4.952 9.933
706 1HB GLU 92 2HB GLU 92 -7.505 -6.295 7.845
707 2HB GLU 92 1HB GLU 92 -6.312 -5.342 6.980
708 1HG GLU 92 2HG GLU 92 -5.245 -7.359 7.532
709 2HG GLU 92 1HG GLU 92 -4.613 -6.164 8.665
710 H VAL 93 H VAL 93 -6.930 -2.245 7.892
711 HA VAL 93 HA VAL 93 -4.106 -1.809 7.533
712 HB VAL 93 HB VAL 93 -6.401 0.137 7.182
713 1HG1 VAL 93 1HG1 VAL 93 -3.565 0.253 6.134
714 2HG1 VAL 93 2HG1 VAL 93 -4.250 1.281 7.392
715 3HG1 VAL 93 3HG1 VAL 93 -4.855 1.389 5.739
716 1HG2 VAL 93 1HG2 VAL 93 -6.253 -0.423 4.794
717 2HG2 VAL 93 2HG2 VAL 93 -6.684 -1.826 5.772
718 3HG2 VAL 93 3HG2 VAL 93 -5.037 -1.648 5.162
719 H THR 94 H THR 94 -2.722 -0.552 8.705
720 HA THR 94 HA THR 94 -3.447 0.076 11.413
721 HB THR 94 HB THR 94 -0.852 0.779 10.014
722 HG1 THR 94 HG1 THR 94 -1.553 -1.585 11.464
723 1HG2 THR 94 1HG2 THR 94 -1.176 1.932 12.157
724 2HG2 THR 94 2HG2 THR 94 0.098 0.719 12.283
725 3HG2 THR 94 3HG2 THR 94 -1.503 0.388 12.946
726 H ARG 95 H ARG 95 -1.961 2.200 8.903
727 HA ARG 95 HA ARG 95 -3.641 4.434 9.837
728 1HB ARG 95 2HB ARG 95 -0.619 4.549 9.644
729 2HB ARG 95 1HB ARG 95 -1.664 5.928 9.953
730 1HG ARG 95 2HG ARG 95 -2.344 5.004 12.073
731 2HG ARG 95 1HG ARG 95 -1.456 3.514 11.748
732 1HD ARG 95 2HD ARG 95 0.649 4.840 11.684
733 2HD ARG 95 1HD ARG 95 -0.278 6.272 12.135
734 HE ARG 95 HE ARG 95 -0.773 5.171 14.249
735 1HH1 ARG 95 1HH1 ARG 95 1.851 3.904 12.391
736 2HH1 ARG 95 2HH1 ARG 95 2.560 3.099 13.751
737 1HH2 ARG 95 1HH2 ARG 95 0.178 4.156 15.982
738 2HH2 ARG 95 2HH2 ARG 95 1.630 3.240 15.745
739 H GLU 96 H GLU 96 -3.915 6.140 8.325
740 HA GLU 96 HA GLU 96 -2.661 5.751 5.677
741 1HB GLU 96 2HB GLU 96 -4.608 6.670 4.597
742 2HB GLU 96 1HB GLU 96 -5.127 5.359 5.644
743 1HG GLU 96 2HG GLU 96 -5.825 7.027 7.333
744 2HG GLU 96 1HG GLU 96 -5.370 8.312 6.216
745 H ALA 97 H ALA 97 -1.387 7.377 5.005
746 HA ALA 97 HA ALA 97 -1.494 9.929 6.500
747 1HB ALA 97 1HB ALA 97 0.460 8.556 7.067
748 2HB ALA 97 2HB ALA 97 0.921 10.071 6.293
749 3HB ALA 97 3HB ALA 97 0.952 8.566 5.374
750 H ASP 98 H ASP 98 -0.861 11.841 5.415
751 HA ASP 98 HA ASP 98 -1.323 11.807 2.515
752 1HB ASP 98 2HB ASP 98 -2.711 13.323 3.871
753 2HB ASP 98 1HB ASP 98 -1.263 14.106 4.494
754 H LEU 99 H LEU 99 0.643 11.269 1.603
755 HA LEU 99 HA LEU 99 3.111 12.300 2.678
756 1HB LEU 99 2HB LEU 99 4.261 10.921 1.160
757 2HB LEU 99 1HB LEU 99 2.878 10.000 1.705
758 HG LEU 99 HG LEU 99 3.127 11.380 -0.983
759 1HD1 LEU 99 1HD1 LEU 99 4.580 9.413 -0.753
760 2HD1 LEU 99 2HD1 LEU 99 3.276 9.138 -1.907
761 3HD1 LEU 99 3HD1 LEU 99 3.184 8.439 -0.290
762 1HD2 LEU 99 1HD2 LEU 99 0.811 11.337 -0.266
763 2HD2 LEU 99 2HD2 LEU 99 0.933 9.619 0.116
764 3HD2 LEU 99 3HD2 LEU 99 1.068 10.165 -1.555
765 H ASP 100 H ASP 100 4.639 13.580 1.634
766 HA ASP 100 HA ASP 100 3.475 15.726 0.065
767 1HB ASP 100 2HB ASP 100 5.786 16.757 0.462
768 2HB ASP 100 1HB ASP 100 4.778 16.469 1.876
769 H LEU 101 H LEU 101 5.022 16.772 -1.628
770 HA LEU 101 HA LEU 101 6.372 14.737 -3.279
771 1HB LEU 101 2HB LEU 101 4.417 16.818 -4.272
772 2HB LEU 101 1HB LEU 101 5.462 15.881 -5.319
773 HG LEU 101 HG LEU 101 3.218 14.808 -3.596
774 1HD1 LEU 101 1HD1 LEU 101 2.434 15.977 -5.568
775 2HD1 LEU 101 2HD1 LEU 101 2.212 14.239 -5.774
776 3HD1 LEU 101 3HD1 LEU 101 3.548 15.061 -6.586
777 1HD2 LEU 101 1HD2 LEU 101 5.055 13.312 -5.476
778 2HD2 LEU 101 2HD2 LEU 101 3.683 12.638 -4.593
779 3HD2 LEU 101 3HD2 LEU 101 5.098 13.216 -3.713
780 H ASP 102 H ASP 102 8.376 15.539 -2.573
781 HA ASP 102 HA ASP 102 8.942 18.391 -2.825
782 1HB ASP 102 2HB ASP 102 9.583 17.055 -0.801
783 2HB ASP 102 1HB ASP 102 10.728 16.170 -1.802
784 H ALA 103 H ALA 103 11.069 19.064 -3.748
785 HA ALA 103 HA ALA 103 12.541 19.309 -5.447
786 1HB ALA 103 1HB ALA 103 13.468 17.229 -4.519
787 2HB ALA 103 2HB ALA 103 13.721 17.358 -6.259
788 3HB ALA 103 3HB ALA 103 12.460 16.298 -5.628
789 H ASP 104 H ASP 104 11.033 16.427 -6.865
790 HA ASP 104 HA ASP 104 9.811 18.100 -8.960
791 1HB ASP 104 2HB ASP 104 12.044 17.236 -9.712
792 2HB ASP 104 1HB ASP 104 11.441 15.598 -9.496
793 H GLY 105 H GLY 105 8.740 16.636 -6.623
794 1HA GLY 105 2HA GLY 105 6.552 15.675 -6.492
795 2HA GLY 105 1HA GLY 105 6.832 14.896 -8.040
796 H VAL 106 H VAL 106 9.348 14.798 -5.644
797 HA VAL 106 HA VAL 106 8.946 11.904 -5.402
798 HB VAL 106 HB VAL 106 11.367 13.556 -4.624
799 1HG1 VAL 106 1HG1 VAL 106 10.998 10.562 -4.852
800 2HG1 VAL 106 2HG1 VAL 106 11.214 11.476 -3.360
801 3HG1 VAL 106 3HG1 VAL 106 12.528 11.381 -4.532
802 1HG2 VAL 106 1HG2 VAL 106 11.006 13.639 -7.033
803 2HG2 VAL 106 2HG2 VAL 106 10.875 11.880 -7.093
804 3HG2 VAL 106 3HG2 VAL 106 12.409 12.636 -6.658
805 HA PRO 107 HA PRO 107 7.211 12.753 -1.287
806 1HB PRO 107 2HB PRO 107 7.329 9.777 -1.193
807 2HB PRO 107 1HB PRO 107 5.972 10.862 -0.869
808 1HG PRO 107 2HG PRO 107 6.068 9.441 -3.123
809 2HG PRO 107 1HG PRO 107 5.460 11.109 -3.123
810 1HD PRO 107 2HD PRO 107 8.130 10.063 -4.006
811 2HD PRO 107 1HD PRO 107 7.107 11.313 -4.747
812 H GLN 108 H GLN 108 8.515 13.326 0.353
813 HA GLN 108 HA GLN 108 11.122 12.177 0.699
814 1HB GLN 108 2HB GLN 108 9.578 14.204 2.326
815 2HB GLN 108 1HB GLN 108 11.226 13.711 2.698
816 1HG GLN 108 2HG GLN 108 10.333 14.970 0.107
817 2HG GLN 108 1HG GLN 108 11.127 15.819 1.435
818 1HE2 GLN 108 1HE2 GLN 108 11.959 15.355 -1.381
819 2HE2 GLN 108 2HE2 GLN 108 13.524 14.633 -1.263
820 H LEU 109 H LEU 109 10.348 9.955 0.981
821 HA LEU 109 HA LEU 109 9.081 9.172 3.413
822 1HB LEU 109 2HB LEU 109 10.275 7.796 1.089
823 2HB LEU 109 1HB LEU 109 10.318 6.892 2.591
824 HG LEU 109 HG LEU 109 7.899 7.013 2.794
825 1HD1 LEU 109 1HD1 LEU 109 7.973 8.620 0.242
826 2HD1 LEU 109 2HD1 LEU 109 7.487 9.192 1.840
827 3HD1 LEU 109 3HD1 LEU 109 6.517 7.979 1.008
828 1HD2 LEU 109 1HD2 LEU 109 8.831 5.167 1.512
829 2HD2 LEU 109 2HD2 LEU 109 8.758 6.131 0.036
830 3HD2 LEU 109 3HD2 LEU 109 7.269 5.656 0.854
831 H GLY 110 H GLY 110 12.287 10.104 2.710
832 1HA GLY 110 2HA GLY 110 13.857 8.491 4.337
833 2HA GLY 110 1HA GLY 110 14.180 10.187 4.017
834 H ASP 111 H ASP 111 11.854 11.255 5.280
835 HA ASP 111 HA ASP 111 12.648 11.268 8.016
836 1HB ASP 111 2HB ASP 111 10.082 12.322 6.799
837 2HB ASP 111 1HB ASP 111 10.791 12.794 8.342
838 H HIS 112 H HIS 112 10.422 9.356 6.205
839 HA HIS 112 HA HIS 112 9.015 8.335 8.555
840 1HB HIS 112 2HB HIS 112 8.787 7.557 5.634
841 2HB HIS 112 1HB HIS 112 7.733 6.995 6.924
842 HD1 HIS 112 HD1 HIS 112 5.967 8.673 7.826
843 HD2 HIS 112 HD2 HIS 112 8.281 10.127 4.699
844 HE1 HIS 112 HE1 HIS 112 4.801 10.754 7.038
845 HE2 HIS 112 HE2 HIS 112 6.279 11.682 5.223
846 H LEU 113 H LEU 113 11.827 7.609 6.783
847 HA LEU 113 HA LEU 113 11.787 4.757 7.498
848 1HB LEU 113 2HB LEU 113 13.870 6.223 5.871
849 2HB LEU 113 1HB LEU 113 13.650 4.488 5.997
850 HG LEU 113 HG LEU 113 11.925 6.476 4.532
851 1HD1 LEU 113 1HD1 LEU 113 13.865 5.679 3.323
852 2HD1 LEU 113 2HD1 LEU 113 12.382 5.047 2.608
853 3HD1 LEU 113 3HD1 LEU 113 13.386 4.006 3.619
854 1HD2 LEU 113 1HD2 LEU 113 10.395 5.015 5.702
855 2HD2 LEU 113 2HD2 LEU 113 11.267 3.592 5.126
856 3HD2 LEU 113 3HD2 LEU 113 10.405 4.625 3.984
857 H ALA 114 H ALA 114 14.572 4.345 7.652
858 HA ALA 114 HA ALA 114 16.437 4.511 8.945
859 1HB ALA 114 1HB ALA 114 15.240 7.011 10.140
860 2HB ALA 114 2HB ALA 114 16.283 6.958 8.720
861 3HB ALA 114 3HB ALA 114 16.911 6.467 10.293
862 H LEU 115 H LEU 115 13.511 5.354 10.796
863 HA LEU 115 HA LEU 115 12.485 4.357 12.549
864 1HB LEU 115 2HB LEU 115 13.183 2.229 11.352
865 2HB LEU 115 1HB LEU 115 14.551 2.161 12.443
866 HG LEU 115 HG LEU 115 11.703 2.193 13.463
867 1HD1 LEU 115 1HD1 LEU 115 13.377 -0.224 12.766
868 2HD1 LEU 115 2HD1 LEU 115 11.909 0.300 11.940
869 3HD1 LEU 115 3HD1 LEU 115 11.829 -0.250 13.615
870 1HD2 LEU 115 1HD2 LEU 115 13.432 2.703 15.112
871 2HD2 LEU 115 2HD2 LEU 115 14.298 1.228 14.681
872 3HD2 LEU 115 3HD2 LEU 115 12.706 1.129 15.436
873 H GLU 116 H GLU 116 15.953 3.743 13.020
874 HA GLU 116 HA GLU 116 15.777 4.671 15.770
875 1HB GLU 116 2HB GLU 116 17.116 2.657 15.143
876 2HB GLU 116 1HB GLU 116 18.201 3.702 14.235
877 1HG GLU 116 2HG GLU 116 19.078 3.091 16.456
878 2HG GLU 116 1HG GLU 116 18.888 4.830 16.251
Start of MODEL 8
1 1H MET 1 1H MET 1 6.337 -8.640 12.456
2 2H MET 1 2H MET 1 6.965 -10.189 12.688
3 3H MET 1 3H MET 1 6.413 -9.717 11.162
4 HA MET 1 HA MET 1 8.717 -8.513 12.586
5 1HB MET 1 2HB MET 1 8.622 -10.448 10.255
6 2HB MET 1 1HB MET 1 10.073 -9.617 10.795
7 1HG MET 1 2HG MET 1 9.910 -10.742 12.963
8 2HG MET 1 1HG MET 1 8.459 -11.581 12.413
9 1HE MET 1 1HE MET 1 11.195 -14.412 12.508
10 2HE MET 1 2HE MET 1 9.588 -13.936 13.058
11 3HE MET 1 3HE MET 1 11.010 -13.056 13.619
12 H THR 2 H THR 2 9.857 -6.945 11.403
13 HA THR 2 HA THR 2 10.055 -5.055 10.180
14 HB THR 2 HB THR 2 10.745 -6.794 8.533
15 HG1 THR 2 HG1 THR 2 10.438 -5.311 6.674
16 1HG2 THR 2 1HG2 THR 2 8.580 -7.874 8.117
17 2HG2 THR 2 2HG2 THR 2 9.281 -7.276 6.614
18 3HG2 THR 2 3HG2 THR 2 7.968 -6.388 7.388
19 H LEU 3 H LEU 3 8.976 -3.746 8.206
20 HA LEU 3 HA LEU 3 6.099 -3.385 8.814
21 1HB LEU 3 2HB LEU 3 8.067 -1.176 8.170
22 2HB LEU 3 1HB LEU 3 6.380 -0.986 8.609
23 HG LEU 3 HG LEU 3 8.568 -1.995 10.438
24 1HD1 LEU 3 1HD1 LEU 3 8.298 0.121 11.610
25 2HD1 LEU 3 2HD1 LEU 3 7.100 0.643 10.424
26 3HD1 LEU 3 3HD1 LEU 3 8.776 0.390 9.934
27 1HD2 LEU 3 1HD2 LEU 3 6.909 -1.863 12.210
28 2HD2 LEU 3 2HD2 LEU 3 6.382 -2.985 10.957
29 3HD2 LEU 3 3HD2 LEU 3 5.678 -1.370 11.048
30 H ILE 4 H ILE 4 4.764 -2.887 7.050
31 HA ILE 4 HA ILE 4 6.082 -2.921 4.403
32 HB ILE 4 HB ILE 4 3.970 -3.924 3.507
33 1HG1 ILE 4 2HG1 ILE 4 3.350 -4.343 6.451
34 2HG1 ILE 4 1HG1 ILE 4 2.438 -3.333 5.333
35 1HG2 ILE 4 1HG2 ILE 4 4.518 -6.198 4.232
36 2HG2 ILE 4 2HG2 ILE 4 5.469 -5.546 5.565
37 3HG2 ILE 4 3HG2 ILE 4 5.972 -5.256 3.900
38 1HD1 ILE 4 1HD1 ILE 4 1.340 -5.471 5.756
39 2HD1 ILE 4 2HD1 ILE 4 2.750 -6.322 5.122
40 3HD1 ILE 4 3HD1 ILE 4 1.788 -5.291 4.061
41 H TYR 5 H TYR 5 5.446 -1.495 2.860
42 HA TYR 5 HA TYR 5 3.491 0.577 3.656
43 1HB TYR 5 2HB TYR 5 6.022 1.084 2.064
44 2HB TYR 5 1HB TYR 5 4.923 2.283 2.732
45 HD1 TYR 5 HD1 TYR 5 7.485 -0.247 3.605
46 HD2 TYR 5 HD2 TYR 5 5.195 3.070 4.980
47 HE1 TYR 5 HE1 TYR 5 8.904 -0.105 5.607
48 HE2 TYR 5 HE2 TYR 5 6.607 3.215 6.989
49 HH TYR 5 HH TYR 5 8.117 1.936 8.294
50 H LYS 6 H LYS 6 2.175 1.412 1.990
51 HA LYS 6 HA LYS 6 2.753 0.576 -0.761
52 1HB LYS 6 2HB LYS 6 1.184 -1.118 0.078
53 2HB LYS 6 1HB LYS 6 0.050 0.147 0.539
54 1HG LYS 6 2HG LYS 6 -0.192 0.801 -1.806
55 2HG LYS 6 1HG LYS 6 0.961 -0.447 -2.277
56 1HD LYS 6 2HD LYS 6 -0.575 -2.173 -1.411
57 2HD LYS 6 1HD LYS 6 -1.732 -0.911 -0.973
58 1HE LYS 6 2HE LYS 6 -1.901 -0.247 -3.327
59 2HE LYS 6 1HE LYS 6 -0.734 -1.488 -3.765
60 1HZ LYS 6 1HZ LYS 6 -3.006 -2.176 -4.198
61 2HZ LYS 6 2HZ LYS 6 -3.396 -1.993 -2.562
62 3HZ LYS 6 3HZ LYS 6 -2.282 -3.173 -3.036
63 H ILE 7 H ILE 7 2.778 2.342 -1.981
64 HA ILE 7 HA ILE 7 1.181 4.680 -1.257
65 HB ILE 7 HB ILE 7 3.198 4.331 -3.490
66 1HG1 ILE 7 2HG1 ILE 7 3.462 5.692 -0.790
67 2HG1 ILE 7 1HG1 ILE 7 4.225 4.174 -1.254
68 1HG2 ILE 7 1HG2 ILE 7 1.550 6.063 -3.999
69 2HG2 ILE 7 2HG2 ILE 7 3.131 6.774 -3.679
70 3HG2 ILE 7 3HG2 ILE 7 1.870 6.839 -2.447
71 1HD1 ILE 7 1HD1 ILE 7 4.778 6.887 -2.436
72 2HD1 ILE 7 2HD1 ILE 7 5.515 5.374 -2.967
73 3HD1 ILE 7 3HD1 ILE 7 5.818 5.979 -1.339
74 H LEU 8 H LEU 8 -0.719 5.145 -2.194
75 HA LEU 8 HA LEU 8 -1.290 4.221 -4.911
76 1HB LEU 8 2HB LEU 8 -3.428 3.270 -4.371
77 2HB LEU 8 1HB LEU 8 -2.200 2.476 -3.407
78 HG LEU 8 HG LEU 8 -4.006 4.661 -2.340
79 1HD1 LEU 8 1HD1 LEU 8 -5.356 2.752 -2.992
80 2HD1 LEU 8 2HD1 LEU 8 -5.248 2.850 -1.235
81 3HD1 LEU 8 3HD1 LEU 8 -4.283 1.662 -2.112
82 1HD2 LEU 8 1HD2 LEU 8 -3.291 3.810 -0.145
83 2HD2 LEU 8 2HD2 LEU 8 -1.930 4.412 -1.085
84 3HD2 LEU 8 3HD2 LEU 8 -2.201 2.676 -0.944
85 H SER 9 H SER 9 -3.419 5.206 -5.721
86 HA SER 9 HA SER 9 -3.297 8.032 -5.307
87 1HB SER 9 2HB SER 9 -3.884 7.252 -7.501
88 2HB SER 9 1HB SER 9 -5.236 6.315 -6.870
89 HG SER 9 HG SER 9 -5.289 8.788 -7.745
90 H ARG 10 H ARG 10 -4.767 9.424 -4.346
91 HA ARG 10 HA ARG 10 -6.100 8.608 -2.033
92 1HB ARG 10 2HB ARG 10 -5.406 10.925 -2.465
93 2HB ARG 10 1HB ARG 10 -6.609 11.059 -3.738
94 1HG ARG 10 2HG ARG 10 -7.342 12.165 -1.699
95 2HG ARG 10 1HG ARG 10 -8.396 10.809 -2.102
96 1HD ARG 10 2HD ARG 10 -7.281 9.420 -0.436
97 2HD ARG 10 1HD ARG 10 -6.160 10.734 -0.072
98 HE ARG 10 HE ARG 10 -8.006 11.971 0.857
99 1HH1 ARG 10 1HH1 ARG 10 -8.681 8.660 0.169
100 2HH1 ARG 10 2HH1 ARG 10 -9.994 8.585 1.291
101 1HH2 ARG 10 1HH2 ARG 10 -9.703 11.848 2.294
102 2HH2 ARG 10 2HH2 ARG 10 -10.537 10.344 2.509
103 H ALA 11 H ALA 11 -7.225 8.816 -5.350
104 HA ALA 11 HA ALA 11 -9.998 8.495 -4.865
105 1HB ALA 11 1HB ALA 11 -8.400 7.700 -7.305
106 2HB ALA 11 2HB ALA 11 -9.114 9.285 -7.009
107 3HB ALA 11 3HB ALA 11 -10.154 7.877 -7.225
108 H GLU 12 H GLU 12 -7.447 6.112 -5.629
109 HA GLU 12 HA GLU 12 -9.041 3.801 -5.563
110 1HB GLU 12 2HB GLU 12 -6.126 4.037 -4.749
111 2HB GLU 12 1HB GLU 12 -6.954 2.561 -5.223
112 1HG GLU 12 2HG GLU 12 -7.288 3.492 -7.478
113 2HG GLU 12 1HG GLU 12 -6.404 4.939 -6.996
114 H TRP 13 H TRP 13 -7.295 5.483 -2.988
115 HA TRP 13 HA TRP 13 -7.904 3.625 -0.921
116 1HB TRP 13 2HB TRP 13 -5.983 5.150 -0.822
117 2HB TRP 13 1HB TRP 13 -7.068 6.533 -0.768
118 HD1 TRP 13 HD1 TRP 13 -6.848 7.497 1.582
119 HE1 TRP 13 HE1 TRP 13 -6.900 6.569 3.979
120 HE3 TRP 13 HE3 TRP 13 -7.146 2.496 0.513
121 HZ2 TRP 13 HZ2 TRP 13 -7.062 4.060 5.247
122 HZ3 TRP 13 HZ3 TRP 13 -7.255 0.899 2.389
123 HH2 TRP 13 HH2 TRP 13 -7.209 1.668 4.703
124 H ASP 14 H ASP 14 -9.469 6.599 -2.053
125 HA ASP 14 HA ASP 14 -11.430 6.877 -0.058
126 1HB ASP 14 2HB ASP 14 -10.949 8.546 -1.850
127 2HB ASP 14 1HB ASP 14 -11.707 7.480 -3.018
128 H ALA 15 H ALA 15 -11.588 5.257 -3.200
129 HA ALA 15 HA ALA 15 -14.125 4.100 -2.959
130 1HB ALA 15 1HB ALA 15 -12.829 4.359 -5.050
131 2HB ALA 15 2HB ALA 15 -13.474 2.730 -4.837
132 3HB ALA 15 3HB ALA 15 -11.767 3.053 -4.525
133 H ALA 16 H ALA 16 -10.939 2.913 -1.955
134 HA ALA 16 HA ALA 16 -11.679 0.323 -1.161
135 1HB ALA 16 1HB ALA 16 -9.551 2.089 0.057
136 2HB ALA 16 2HB ALA 16 -9.348 1.070 -1.368
137 3HB ALA 16 3HB ALA 16 -9.663 0.332 0.202
138 H LYS 17 H LYS 17 -11.558 3.350 0.748
139 HA LYS 17 HA LYS 17 -12.566 2.349 3.159
140 1HB LYS 17 2HB LYS 17 -12.906 5.077 1.892
141 2HB LYS 17 1HB LYS 17 -13.441 4.697 3.523
142 1HG LYS 17 2HG LYS 17 -11.128 4.183 4.164
143 2HG LYS 17 1HG LYS 17 -10.591 4.571 2.526
144 1HD LYS 17 2HD LYS 17 -11.420 6.870 2.807
145 2HD LYS 17 1HD LYS 17 -11.960 6.480 4.439
146 1HE LYS 17 2HE LYS 17 -9.094 6.330 3.499
147 2HE LYS 17 1HE LYS 17 -9.794 7.708 4.345
148 1HZ LYS 17 1HZ LYS 17 -9.555 4.949 5.421
149 2HZ LYS 17 2HZ LYS 17 -10.265 6.252 6.225
150 3HZ LYS 17 3HZ LYS 17 -8.613 6.282 5.871
151 H ALA 18 H ALA 18 -14.293 3.525 0.286
152 HA ALA 18 HA ALA 18 -16.919 3.283 1.243
153 1HB ALA 18 1HB ALA 18 -17.599 3.210 -1.102
154 2HB ALA 18 2HB ALA 18 -15.934 2.885 -1.585
155 3HB ALA 18 3HB ALA 18 -16.352 4.431 -0.845
156 H GLN 19 H GLN 19 -14.897 0.896 -0.483
157 HA GLN 19 HA GLN 19 -16.756 -1.249 -0.368
158 1HB GLN 19 2HB GLN 19 -13.731 -1.349 -0.521
159 2HB GLN 19 1HB GLN 19 -14.810 -2.699 -0.842
160 1HG GLN 19 2HG GLN 19 -15.759 -1.469 -2.737
161 2HG GLN 19 1HG GLN 19 -14.632 -0.147 -2.438
162 1HE2 GLN 19 1HE2 GLN 19 -13.624 -0.368 -4.441
163 2HE2 GLN 19 2HE2 GLN 19 -12.598 -1.705 -4.815
164 H GLY 20 H GLY 20 -14.615 0.119 1.968
165 1HA GLY 20 2HA GLY 20 -14.356 -0.430 4.226
166 2HA GLY 20 1HA GLY 20 -15.252 -1.918 3.952
167 H ARG 21 H ARG 21 -13.071 -1.760 1.511
168 HA ARG 21 HA ARG 21 -10.732 -2.766 2.864
169 1HB ARG 21 2HB ARG 21 -10.831 -5.034 2.109
170 2HB ARG 21 1HB ARG 21 -12.351 -4.699 2.928
171 1HG ARG 21 2HG ARG 21 -13.411 -4.328 0.709
172 2HG ARG 21 1HG ARG 21 -11.891 -4.797 -0.053
173 1HD ARG 21 2HD ARG 21 -12.090 -6.983 1.233
174 2HD ARG 21 1HD ARG 21 -13.744 -6.496 1.609
175 HE ARG 21 HE ARG 21 -12.792 -7.545 -0.858
176 1HH1 ARG 21 1HH1 ARG 21 -15.117 -5.362 0.464
177 2HH1 ARG 21 2HH1 ARG 21 -16.154 -5.474 -0.912
178 1HH2 ARG 21 1HH2 ARG 21 -14.134 -7.693 -2.587
179 2HH2 ARG 21 2HH2 ARG 21 -15.613 -6.794 -2.617
180 H PHE 22 H PHE 22 -9.080 -3.537 1.258
181 HA PHE 22 HA PHE 22 -9.569 -2.682 -1.506
182 1HB PHE 22 2HB PHE 22 -8.263 -0.922 -0.198
183 2HB PHE 22 1HB PHE 22 -6.958 -2.097 -0.078
184 HD1 PHE 22 HD2 PHE 22 -9.132 -0.424 -2.597
185 HD2 PHE 22 HD1 PHE 22 -5.327 -2.159 -1.761
186 HE1 PHE 22 HE2 PHE 22 -8.323 0.290 -4.807
187 HE2 PHE 22 HE1 PHE 22 -4.520 -1.445 -3.970
188 HZ PHE 22 HZ PHE 22 -6.015 -0.220 -5.496
189 H GLU 23 H GLU 23 -9.638 -4.699 -2.370
190 HA GLU 23 HA GLU 23 -7.497 -6.604 -1.757
191 1HB GLU 23 2HB GLU 23 -8.868 -8.197 -3.156
192 2HB GLU 23 1HB GLU 23 -9.642 -7.620 -1.688
193 1HG GLU 23 2HG GLU 23 -10.921 -5.994 -3.029
194 2HG GLU 23 1HG GLU 23 -10.180 -6.647 -4.491
195 H GLY 24 H GLY 24 -6.817 -7.950 -3.804
196 1HA GLY 24 2HA GLY 24 -5.283 -6.089 -5.358
197 2HA GLY 24 1HA GLY 24 -5.226 -7.839 -5.470
198 H SER 25 H SER 25 -5.454 -5.485 -7.451
199 HA SER 25 HA SER 25 -7.841 -6.151 -8.950
200 1HB SER 25 2HB SER 25 -5.405 -4.524 -9.754
201 2HB SER 25 1HB SER 25 -6.900 -4.642 -10.678
202 HG SER 25 HG SER 25 -6.802 -2.752 -9.374
203 H ALA 26 H ALA 26 -7.626 -6.873 -11.287
204 HA ALA 26 HA ALA 26 -6.406 -9.344 -11.559
205 1HB ALA 26 1HB ALA 26 -6.774 -9.120 -13.973
206 2HB ALA 26 2HB ALA 26 -7.070 -7.393 -13.767
207 3HB ALA 26 3HB ALA 26 -8.171 -8.570 -13.050
208 H VAL 27 H VAL 27 -5.077 -6.154 -12.232
209 HA VAL 27 HA VAL 27 -2.649 -6.936 -13.431
210 HB VAL 27 HB VAL 27 -3.140 -4.524 -11.666
211 1HG1 VAL 27 1HG1 VAL 27 -1.258 -3.516 -12.900
212 2HG1 VAL 27 2HG1 VAL 27 -0.996 -5.049 -13.731
213 3HG1 VAL 27 3HG1 VAL 27 -0.764 -4.941 -11.987
214 1HG2 VAL 27 1HG2 VAL 27 -4.739 -4.583 -13.492
215 2HG2 VAL 27 2HG2 VAL 27 -3.443 -4.854 -14.655
216 3HG2 VAL 27 3HG2 VAL 27 -3.543 -3.321 -13.789
217 H ASP 28 H ASP 28 -3.336 -6.170 -9.983
218 HA ASP 28 HA ASP 28 -0.895 -6.879 -8.876
219 1HB ASP 28 2HB ASP 28 -3.686 -7.239 -7.744
220 2HB ASP 28 1HB ASP 28 -2.214 -7.452 -6.800
221 H LEU 29 H LEU 29 -3.723 -8.974 -9.417
222 HA LEU 29 HA LEU 29 -2.658 -11.385 -8.512
223 1HB LEU 29 2HB LEU 29 -4.627 -10.959 -10.767
224 2HB LEU 29 1HB LEU 29 -4.367 -12.470 -9.915
225 HG LEU 29 HG LEU 29 -5.434 -9.930 -8.666
226 1HD1 LEU 29 1HD1 LEU 29 -7.565 -11.117 -8.540
227 2HD1 LEU 29 2HD1 LEU 29 -6.864 -12.482 -9.412
228 3HD1 LEU 29 3HD1 LEU 29 -7.036 -10.917 -10.210
229 1HD2 LEU 29 1HD2 LEU 29 -5.102 -12.704 -7.512
230 2HD2 LEU 29 2HD2 LEU 29 -5.914 -11.353 -6.721
231 3HD2 LEU 29 3HD2 LEU 29 -4.187 -11.264 -7.060
232 H ALA 30 H ALA 30 -2.227 -9.777 -11.608
233 HA ALA 30 HA ALA 30 -0.937 -11.979 -12.920
234 1HB ALA 30 1HB ALA 30 -0.838 -9.036 -13.608
235 2HB ALA 30 2HB ALA 30 -2.073 -10.172 -14.155
236 3HB ALA 30 3HB ALA 30 -0.399 -10.378 -14.666
237 H ASP 31 H ASP 31 0.238 -9.033 -11.294
238 HA ASP 31 HA ASP 31 3.004 -9.502 -11.759
239 1HB ASP 31 2HB ASP 31 1.955 -7.291 -11.155
240 2HB ASP 31 1HB ASP 31 1.757 -7.889 -9.512
241 H GLY 32 H GLY 32 0.784 -10.469 -9.244
242 1HA GLY 32 2HA GLY 32 1.608 -12.694 -8.212
243 2HA GLY 32 1HA GLY 32 2.942 -11.694 -7.650
244 H PHE 33 H PHE 33 -0.598 -11.287 -7.798
245 HA PHE 33 HA PHE 33 -2.145 -10.622 -6.295
246 1HB PHE 33 2HB PHE 33 -0.135 -11.771 -4.360
247 2HB PHE 33 1HB PHE 33 -1.681 -11.108 -3.835
248 HD1 PHE 33 HD1 PHE 33 -0.176 -13.685 -6.069
249 HD2 PHE 33 HD2 PHE 33 -3.617 -12.423 -3.892
250 HE1 PHE 33 HE1 PHE 33 -1.260 -15.839 -6.537
251 HE2 PHE 33 HE2 PHE 33 -4.702 -14.583 -4.356
252 HZ PHE 33 HZ PHE 33 -3.524 -16.293 -5.679
253 H ILE 34 H ILE 34 -1.948 -9.322 -3.788
254 HA ILE 34 HA ILE 34 -1.768 -6.700 -4.696
255 HB ILE 34 HB ILE 34 -1.570 -7.643 -1.827
256 1HG1 ILE 34 2HG1 ILE 34 -3.965 -6.817 -3.498
257 2HG1 ILE 34 1HG1 ILE 34 -3.600 -8.450 -2.949
258 1HG2 ILE 34 1HG2 ILE 34 -2.290 -4.917 -2.931
259 2HG2 ILE 34 2HG2 ILE 34 -0.818 -5.334 -2.051
260 3HG2 ILE 34 3HG2 ILE 34 -2.378 -5.396 -1.235
261 1HD1 ILE 34 1HD1 ILE 34 -5.349 -7.417 -1.612
262 2HD1 ILE 34 2HD1 ILE 34 -4.256 -6.104 -1.174
263 3HD1 ILE 34 3HD1 ILE 34 -3.918 -7.750 -0.637
264 H HIS 35 H HIS 35 0.035 -5.858 -5.535
265 HA HIS 35 HA HIS 35 2.648 -6.442 -4.475
266 1HB HIS 35 2HB HIS 35 3.421 -4.746 -6.200
267 2HB HIS 35 1HB HIS 35 2.581 -6.159 -6.821
268 HD1 HIS 35 HD1 HIS 35 1.590 -2.617 -5.796
269 HD2 HIS 35 HD2 HIS 35 0.765 -5.472 -8.695
270 HE1 HIS 35 HE1 HIS 35 -0.046 -1.532 -7.357
271 HE2 HIS 35 HE2 HIS 35 -0.689 -3.350 -8.966
272 H LEU 36 H LEU 36 3.453 -5.551 -2.722
273 HA LEU 36 HA LEU 36 2.651 -2.831 -1.919
274 1HB LEU 36 2HB LEU 36 4.153 -4.940 -0.353
275 2HB LEU 36 1HB LEU 36 3.548 -3.418 0.276
276 HG LEU 36 HG LEU 36 1.817 -5.679 -0.752
277 1HD1 LEU 36 1HD1 LEU 36 1.236 -6.051 1.592
278 2HD1 LEU 36 2HD1 LEU 36 2.401 -4.820 2.083
279 3HD1 LEU 36 3HD1 LEU 36 2.957 -6.304 1.307
280 1HD2 LEU 36 1HD2 LEU 36 1.090 -3.107 0.654
281 2HD2 LEU 36 2HD2 LEU 36 -0.030 -4.412 0.249
282 3HD2 LEU 36 3HD2 LEU 36 0.767 -3.504 -1.035
283 H SER 37 H SER 37 4.763 -2.018 -0.398
284 HA SER 37 HA SER 37 7.185 -2.211 -2.046
285 1HB SER 37 2HB SER 37 7.502 0.248 -2.020
286 2HB SER 37 1HB SER 37 6.051 -0.221 -2.906
287 HG SER 37 HG SER 37 5.277 0.133 -0.432
288 H ALA 38 H ALA 38 9.117 -1.516 -0.985
289 HA ALA 38 HA ALA 38 9.014 -1.820 1.927
290 1HB ALA 38 1HB ALA 38 11.383 -1.845 0.049
291 2HB ALA 38 2HB ALA 38 10.553 -3.263 0.693
292 3HB ALA 38 3HB ALA 38 11.432 -2.186 1.778
293 H GLY 39 H GLY 39 11.108 -0.496 2.912
294 1HA GLY 39 2HA GLY 39 10.175 2.090 3.296
295 2HA GLY 39 1HA GLY 39 11.806 1.561 3.666
296 H GLU 40 H GLU 40 13.423 1.696 1.898
297 HA GLU 40 HA GLU 40 13.358 4.222 0.639
298 1HB GLU 40 2HB GLU 40 15.464 3.142 1.248
299 2HB GLU 40 1HB GLU 40 15.168 1.859 0.081
300 1HG GLU 40 2HG GLU 40 15.369 3.408 -1.753
301 2HG GLU 40 1HG GLU 40 15.493 4.770 -0.641
302 H GLN 41 H GLN 41 12.358 1.064 -0.483
303 HA GLN 41 HA GLN 41 12.320 1.564 -3.255
304 1HB GLN 41 2HB GLN 41 12.098 -0.691 -2.609
305 2HB GLN 41 1HB GLN 41 10.774 -0.340 -1.506
306 1HG GLN 41 2HG GLN 41 9.242 -0.043 -3.281
307 2HG GLN 41 1HG GLN 41 10.530 0.011 -4.482
308 1HE2 GLN 41 1HE2 GLN 41 10.601 -2.358 -1.925
309 2HE2 GLN 41 2HE2 GLN 41 10.232 -3.716 -2.920
310 H ALA 42 H ALA 42 9.870 2.197 -0.755
311 HA ALA 42 HA ALA 42 7.827 3.130 -2.438
312 1HB ALA 42 1HB ALA 42 7.467 2.661 -0.068
313 2HB ALA 42 2HB ALA 42 6.963 4.304 -0.467
314 3HB ALA 42 3HB ALA 42 8.492 4.029 0.368
315 H GLN 43 H GLN 43 10.454 4.934 -0.833
316 HA GLN 43 HA GLN 43 9.887 7.481 -1.852
317 1HB GLN 43 2HB GLN 43 11.451 7.250 -0.047
318 2HB GLN 43 1HB GLN 43 12.490 6.202 -1.002
319 1HG GLN 43 2HG GLN 43 13.503 8.373 -0.827
320 2HG GLN 43 1HG GLN 43 12.998 8.108 -2.493
321 1HE2 GLN 43 1HE2 GLN 43 11.229 9.294 -3.302
322 2HE2 GLN 43 2HE2 GLN 43 10.664 10.725 -2.516
323 H GLU 44 H GLU 44 12.114 5.007 -3.123
324 HA GLU 44 HA GLU 44 13.047 6.501 -5.315
325 1HB GLU 44 2HB GLU 44 14.135 4.460 -4.346
326 2HB GLU 44 1HB GLU 44 12.880 3.486 -5.097
327 1HG GLU 44 2HG GLU 44 14.903 3.434 -6.419
328 2HG GLU 44 1HG GLU 44 13.611 4.237 -7.309
329 H THR 45 H THR 45 10.578 3.900 -5.235
330 HA THR 45 HA THR 45 9.755 4.094 -7.905
331 HB THR 45 HB THR 45 7.988 3.359 -5.549
332 HG1 THR 45 HG1 THR 45 9.609 1.894 -5.493
333 1HG2 THR 45 1HG2 THR 45 7.754 2.636 -8.481
334 2HG2 THR 45 2HG2 THR 45 6.748 3.815 -7.640
335 3HG2 THR 45 3HG2 THR 45 6.674 2.111 -7.188
336 H ALA 46 H ALA 46 8.691 5.905 -5.048
337 HA ALA 46 HA ALA 46 6.592 7.349 -6.236
338 1HB ALA 46 1HB ALA 46 6.837 8.916 -4.396
339 2HB ALA 46 2HB ALA 46 8.429 8.255 -4.018
340 3HB ALA 46 3HB ALA 46 6.989 7.259 -3.810
341 H ALA 47 H ALA 47 10.060 8.083 -5.984
342 HA ALA 47 HA ALA 47 9.915 10.647 -7.205
343 1HB ALA 47 1HB ALA 47 12.352 10.515 -7.313
344 2HB ALA 47 2HB ALA 47 12.286 8.795 -6.930
345 3HB ALA 47 3HB ALA 47 11.761 9.984 -5.738
346 H LYS 48 H LYS 48 10.152 7.412 -8.535
347 HA LYS 48 HA LYS 48 10.869 8.355 -11.173
348 1HB LYS 48 2HB LYS 48 10.089 5.606 -10.189
349 2HB LYS 48 1HB LYS 48 10.711 5.983 -11.777
350 1HG LYS 48 2HG LYS 48 12.800 6.839 -10.636
351 2HG LYS 48 1HG LYS 48 12.161 6.124 -9.153
352 1HD LYS 48 2HD LYS 48 12.010 3.933 -10.372
353 2HD LYS 48 1HD LYS 48 12.849 4.692 -11.723
354 1HE LYS 48 2HE LYS 48 13.896 4.192 -8.942
355 2HE LYS 48 1HE LYS 48 14.476 3.501 -10.455
356 1HZ LYS 48 1HZ LYS 48 15.989 5.177 -9.847
357 2HZ LYS 48 2HZ LYS 48 14.769 6.289 -9.501
358 3HZ LYS 48 3HZ LYS 48 15.070 5.840 -11.103
359 H TRP 49 H TRP 49 8.021 6.811 -9.659
360 HA TRP 49 HA TRP 49 6.547 7.141 -12.182
361 1HB TRP 49 2HB TRP 49 6.054 5.252 -9.877
362 2HB TRP 49 1HB TRP 49 5.076 5.340 -11.340
363 HD1 TRP 49 HD1 TRP 49 8.324 3.917 -10.006
364 HE1 TRP 49 HE1 TRP 49 9.434 2.473 -11.826
365 HE3 TRP 49 HE3 TRP 49 5.341 5.162 -13.971
366 HZ2 TRP 49 HZ2 TRP 49 9.088 1.927 -14.571
367 HZ3 TRP 49 HZ3 TRP 49 5.802 4.133 -16.159
368 HH2 TRP 49 HH2 TRP 49 7.638 2.549 -16.451
369 H PHE 50 H PHE 50 6.159 7.683 -8.672
370 HA PHE 50 HA PHE 50 3.448 8.668 -9.075
371 1HB PHE 50 2HB PHE 50 5.120 8.368 -6.575
372 2HB PHE 50 1HB PHE 50 3.480 9.004 -6.584
373 HD1 PHE 50 HD2 PHE 50 1.577 7.548 -7.138
374 HD2 PHE 50 HD1 PHE 50 5.543 6.008 -6.839
375 HE1 PHE 50 HE2 PHE 50 0.678 5.261 -6.990
376 HE2 PHE 50 HE1 PHE 50 4.644 3.723 -6.700
377 HZ PHE 50 HZ PHE 50 2.212 3.348 -6.774
378 H ARG 51 H ARG 51 6.421 10.040 -9.420
379 HA ARG 51 HA ARG 51 6.142 12.577 -8.242
380 1HB ARG 51 2HB ARG 51 7.791 13.314 -9.972
381 2HB ARG 51 1HB ARG 51 8.285 11.887 -9.070
382 1HG ARG 51 2HG ARG 51 7.804 10.451 -10.898
383 2HG ARG 51 1HG ARG 51 6.975 11.737 -11.777
384 1HD ARG 51 2HD ARG 51 9.035 12.926 -12.099
385 2HD ARG 51 1HD ARG 51 9.902 11.802 -11.053
386 HE ARG 51 HE ARG 51 9.681 10.127 -12.747
387 1HH1 ARG 51 1HH1 ARG 51 8.709 13.273 -13.735
388 2HH1 ARG 51 2HH1 ARG 51 8.897 12.925 -15.414
389 1HH2 ARG 51 1HH2 ARG 51 9.938 9.686 -14.894
390 2HH2 ARG 51 2HH2 ARG 51 9.583 10.908 -16.066
391 H GLY 52 H GLY 52 5.007 14.353 -8.775
392 1HA GLY 52 2HA GLY 52 3.858 15.874 -10.135
393 2HA GLY 52 1HA GLY 52 3.924 14.722 -11.457
394 H GLN 53 H GLN 53 2.836 12.854 -9.053
395 HA GLN 53 HA GLN 53 0.045 13.229 -9.844
396 1HB GLN 53 2HB GLN 53 1.302 11.040 -8.168
397 2HB GLN 53 1HB GLN 53 -0.352 11.059 -8.768
398 1HG GLN 53 2HG GLN 53 0.538 11.040 -11.084
399 2HG GLN 53 1HG GLN 53 2.165 10.898 -10.420
400 1HE2 GLN 53 1HE2 GLN 53 2.539 8.919 -11.370
401 2HE2 GLN 53 2HE2 GLN 53 1.757 7.473 -10.849
402 H ALA 54 H ALA 54 -1.235 14.496 -8.644
403 HA ALA 54 HA ALA 54 -0.586 15.073 -5.861
404 1HB ALA 54 1HB ALA 54 -2.341 16.756 -5.997
405 2HB ALA 54 2HB ALA 54 -2.815 16.157 -7.586
406 3HB ALA 54 3HB ALA 54 -1.234 16.906 -7.362
407 H ASN 55 H ASN 55 -2.156 14.900 -4.162
408 HA ASN 55 HA ASN 55 -3.596 13.761 -2.845
409 1HB ASN 55 2HB ASN 55 -5.049 13.167 -5.435
410 2HB ASN 55 1HB ASN 55 -5.702 12.917 -3.819
411 1HD2 ASN 55 1HD2 ASN 55 -6.616 14.633 -6.015
412 2HD2 ASN 55 2HD2 ASN 55 -6.683 16.231 -5.361
413 H LEU 56 H LEU 56 -1.687 12.356 -2.575
414 HA LEU 56 HA LEU 56 -2.250 9.587 -3.458
415 1HB LEU 56 2HB LEU 56 0.432 10.854 -2.851
416 2HB LEU 56 1HB LEU 56 0.187 9.156 -3.208
417 HG LEU 56 HG LEU 56 -0.350 11.432 -5.131
418 1HD1 LEU 56 1HD1 LEU 56 1.623 10.630 -6.325
419 2HD1 LEU 56 2HD1 LEU 56 1.912 9.431 -5.063
420 3HD1 LEU 56 3HD1 LEU 56 2.035 11.151 -4.692
421 1HD2 LEU 56 1HD2 LEU 56 -0.441 8.437 -5.529
422 2HD2 LEU 56 2HD2 LEU 56 -0.583 9.646 -6.806
423 3HD2 LEU 56 3HD2 LEU 56 -1.818 9.542 -5.552
424 H VAL 57 H VAL 57 -1.775 7.906 -1.925
425 HA VAL 57 HA VAL 57 -1.567 8.795 0.883
426 HB VAL 57 HB VAL 57 -3.400 6.605 -0.139
427 1HG1 VAL 57 1HG1 VAL 57 -4.207 6.476 2.180
428 2HG1 VAL 57 2HG1 VAL 57 -2.998 7.664 2.666
429 3HG1 VAL 57 3HG1 VAL 57 -2.491 6.084 2.070
430 1HG2 VAL 57 1HG2 VAL 57 -4.062 9.331 0.995
431 2HG2 VAL 57 2HG2 VAL 57 -5.234 8.078 0.586
432 3HG2 VAL 57 3HG2 VAL 57 -4.262 8.824 -0.682
433 H LEU 58 H LEU 58 -0.240 7.615 2.179
434 HA LEU 58 HA LEU 58 1.029 5.212 1.023
435 1HB LEU 58 2HB LEU 58 2.444 7.292 1.495
436 2HB LEU 58 1HB LEU 58 2.191 6.962 3.196
437 HG LEU 58 HG LEU 58 3.481 4.978 1.309
438 1HD1 LEU 58 1HD1 LEU 58 4.814 7.017 1.349
439 2HD1 LEU 58 2HD1 LEU 58 5.630 5.714 2.211
440 3HD1 LEU 58 3HD1 LEU 58 4.819 6.995 3.113
441 1HD2 LEU 58 1HD2 LEU 58 2.588 3.996 3.366
442 2HD2 LEU 58 2HD2 LEU 58 3.485 5.171 4.327
443 3HD2 LEU 58 3HD2 LEU 58 4.351 3.975 3.364
444 H LEU 59 H LEU 59 0.054 3.470 1.847
445 HA LEU 59 HA LEU 59 -1.074 3.427 4.506
446 1HB LEU 59 2HB LEU 59 -0.738 1.198 2.487
447 2HB LEU 59 1HB LEU 59 -1.669 1.092 3.971
448 HG LEU 59 HG LEU 59 -2.285 2.872 1.603
449 1HD1 LEU 59 1HD1 LEU 59 -3.728 0.447 2.675
450 2HD1 LEU 59 2HD1 LEU 59 -2.774 0.516 1.192
451 3HD1 LEU 59 3HD1 LEU 59 -4.255 1.461 1.331
452 1HD2 LEU 59 1HD2 LEU 59 -4.349 3.440 2.805
453 2HD2 LEU 59 2HD2 LEU 59 -2.916 3.978 3.679
454 3HD2 LEU 59 3HD2 LEU 59 -3.780 2.533 4.208
455 H ALA 60 H ALA 60 0.230 3.252 6.210
456 HA ALA 60 HA ALA 60 2.618 1.528 6.076
457 1HB ALA 60 1HB ALA 60 1.888 3.631 8.125
458 2HB ALA 60 2HB ALA 60 2.985 3.865 6.764
459 3HB ALA 60 3HB ALA 60 3.404 2.731 8.048
460 H VAL 61 H VAL 61 2.399 -0.467 6.893
461 HA VAL 61 HA VAL 61 0.569 -0.886 9.183
462 HB VAL 61 HB VAL 61 1.041 -2.828 6.905
463 1HG1 VAL 61 1HG1 VAL 61 0.661 -3.984 9.014
464 2HG1 VAL 61 2HG1 VAL 61 -0.740 -4.164 7.958
465 3HG1 VAL 61 3HG1 VAL 61 -0.791 -3.023 9.302
466 1HG2 VAL 61 1HG2 VAL 61 -1.317 -2.411 6.322
467 2HG2 VAL 61 2HG2 VAL 61 -0.334 -0.954 6.178
468 3HG2 VAL 61 3HG2 VAL 61 -1.397 -1.167 7.570
469 H GLU 62 H GLU 62 1.434 -1.847 10.925
470 HA GLU 62 HA GLU 62 4.181 -2.755 10.882
471 1HB GLU 62 2HB GLU 62 2.145 -2.673 13.125
472 2HB GLU 62 1HB GLU 62 3.836 -3.119 13.326
473 1HG GLU 62 2HG GLU 62 4.473 -0.863 12.483
474 2HG GLU 62 1HG GLU 62 2.763 -0.437 12.451
475 H ALA 63 H ALA 63 4.701 -4.756 10.191
476 HA ALA 63 HA ALA 63 2.574 -6.722 9.912
477 1HB ALA 63 1HB ALA 63 4.012 -6.203 8.005
478 2HB ALA 63 2HB ALA 63 4.128 -7.905 8.453
479 3HB ALA 63 3HB ALA 63 5.417 -6.787 8.899
480 H GLU 64 H GLU 64 3.007 -6.615 12.567
481 HA GLU 64 HA GLU 64 4.905 -8.651 13.362
482 1HB GLU 64 2HB GLU 64 2.803 -7.154 14.937
483 2HB GLU 64 1HB GLU 64 3.868 -8.364 15.644
484 1HG GLU 64 2HG GLU 64 5.815 -7.025 15.054
485 2HG GLU 64 1HG GLU 64 4.772 -5.826 14.288
486 HA PRO 65 HA PRO 65 1.046 -11.369 14.202
487 1HB PRO 65 2HB PRO 65 -1.440 -10.549 13.557
488 2HB PRO 65 1HB PRO 65 -0.657 -10.061 15.065
489 1HG PRO 65 2HG PRO 65 -0.927 -8.536 12.493
490 2HG PRO 65 1HG PRO 65 -1.169 -7.970 14.157
491 1HD PRO 65 2HD PRO 65 1.128 -7.532 12.742
492 2HD PRO 65 1HD PRO 65 1.084 -7.665 14.510
493 H LEU 66 H LEU 66 0.550 -9.471 11.229
494 HA LEU 66 HA LEU 66 -0.092 -11.919 9.745
495 1HB LEU 66 2HB LEU 66 -1.005 -10.576 8.039
496 2HB LEU 66 1HB LEU 66 -1.554 -9.877 9.547
497 HG LEU 66 HG LEU 66 0.737 -8.765 7.905
498 1HD1 LEU 66 1HD1 LEU 66 -2.141 -7.858 8.022
499 2HD1 LEU 66 2HD1 LEU 66 -1.354 -8.640 6.651
500 3HD1 LEU 66 3HD1 LEU 66 -0.828 -7.040 7.174
501 1HD2 LEU 66 1HD2 LEU 66 -0.765 -7.702 10.297
502 2HD2 LEU 66 2HD2 LEU 66 0.257 -6.704 9.264
503 3HD2 LEU 66 3HD2 LEU 66 0.962 -8.044 10.163
504 H GLY 67 H GLY 67 2.652 -11.135 10.666
505 1HA GLY 67 2HA GLY 67 4.178 -10.070 8.553
506 2HA GLY 67 1HA GLY 67 4.809 -10.971 9.915
507 H GLU 68 H GLU 68 2.833 -13.209 8.748
508 HA GLU 68 HA GLU 68 4.731 -14.117 6.669
509 1HB GLU 68 2HB GLU 68 4.864 -15.350 8.875
510 2HB GLU 68 1HB GLU 68 3.238 -15.944 8.561
511 1HG GLU 68 2HG GLU 68 4.010 -17.067 6.545
512 2HG GLU 68 1HG GLU 68 5.630 -16.414 6.785
513 H ASP 69 H ASP 69 1.721 -12.980 7.031
514 HA ASP 69 HA ASP 69 0.282 -14.790 5.299
515 1HB ASP 69 2HB ASP 69 -0.352 -12.017 6.330
516 2HB ASP 69 1HB ASP 69 -1.452 -12.967 5.333
517 H LEU 70 H LEU 70 2.699 -12.641 4.767
518 HA LEU 70 HA LEU 70 2.077 -12.525 1.907
519 1HB LEU 70 2HB LEU 70 2.804 -10.280 1.658
520 2HB LEU 70 1HB LEU 70 1.629 -10.285 2.957
521 HG LEU 70 HG LEU 70 4.614 -10.277 3.450
522 1HD1 LEU 70 1HD1 LEU 70 4.424 -7.874 3.829
523 2HD1 LEU 70 2HD1 LEU 70 2.733 -7.918 3.328
524 3HD1 LEU 70 3HD1 LEU 70 4.009 -8.291 2.167
525 1HD2 LEU 70 1HD2 LEU 70 2.255 -9.611 5.222
526 2HD2 LEU 70 2HD2 LEU 70 3.953 -9.433 5.669
527 3HD2 LEU 70 3HD2 LEU 70 3.289 -11.034 5.346
528 H LYS 71 H LYS 71 4.107 -12.111 0.598
529 HA LYS 71 HA LYS 71 6.431 -13.335 1.958
530 1HB LYS 71 2HB LYS 71 5.198 -14.896 0.432
531 2HB LYS 71 1HB LYS 71 5.612 -13.835 -0.908
532 1HG LYS 71 2HG LYS 71 7.988 -14.225 -0.494
533 2HG LYS 71 1HG LYS 71 7.581 -15.268 0.870
534 1HD LYS 71 2HD LYS 71 6.309 -16.724 -0.734
535 2HD LYS 71 1HD LYS 71 6.963 -15.742 -2.049
536 1HE LYS 71 2HE LYS 71 8.296 -17.756 -1.747
537 2HE LYS 71 1HE LYS 71 9.243 -16.327 -1.330
538 1HZ LYS 71 1HZ LYS 71 7.876 -18.115 0.608
539 2HZ LYS 71 2HZ LYS 71 8.805 -16.759 1.005
540 3HZ LYS 71 3HZ LYS 71 9.535 -18.103 0.286
541 H TRP 72 H TRP 72 8.226 -12.152 1.897
542 HA TRP 72 HA TRP 72 8.511 -9.913 0.090
543 1HB TRP 72 2HB TRP 72 10.371 -11.104 2.162
544 2HB TRP 72 1HB TRP 72 10.789 -9.707 1.176
545 HD1 TRP 72 HD1 TRP 72 8.245 -10.754 3.893
546 HE1 TRP 72 HE1 TRP 72 7.472 -8.629 5.120
547 HE3 TRP 72 HE3 TRP 72 10.629 -7.251 1.032
548 HZ2 TRP 72 HZ2 TRP 72 7.821 -5.839 4.905
549 HZ3 TRP 72 HZ3 TRP 72 10.359 -4.872 1.608
550 HH2 TRP 72 HH2 TRP 72 8.985 -4.181 3.506
551 H GLU 73 H GLU 73 8.445 -10.968 -1.944
552 HA GLU 73 HA GLU 73 10.278 -13.097 -2.559
553 1HB GLU 73 2HB GLU 73 8.394 -11.519 -4.320
554 2HB GLU 73 1HB GLU 73 9.342 -12.897 -4.866
555 1HG GLU 73 2HG GLU 73 8.198 -14.307 -3.188
556 2HG GLU 73 1HG GLU 73 7.202 -12.924 -2.738
557 H ALA 74 H ALA 74 12.365 -12.401 -2.416
558 HA ALA 74 HA ALA 74 13.265 -10.210 -4.137
559 1HB ALA 74 1HB ALA 74 15.458 -10.554 -3.140
560 2HB ALA 74 2HB ALA 74 14.882 -12.005 -2.320
561 3HB ALA 74 3HB ALA 74 14.232 -10.427 -1.878
562 H SER 75 H SER 75 12.370 -11.540 -5.974
563 HA SER 75 HA SER 75 14.423 -13.399 -7.005
564 1HB SER 75 2HB SER 75 12.622 -14.765 -8.019
565 2HB SER 75 1HB SER 75 12.497 -14.719 -6.261
566 HG SER 75 HG SER 75 10.478 -14.272 -6.865
567 H ARG 76 H ARG 76 11.397 -12.070 -8.348
568 HA ARG 76 HA ARG 76 12.564 -11.554 -10.896
569 1HB ARG 76 2HB ARG 76 10.144 -12.051 -10.479
570 2HB ARG 76 1HB ARG 76 9.980 -10.455 -9.760
571 1HG ARG 76 2HG ARG 76 10.797 -9.531 -11.989
572 2HG ARG 76 1HG ARG 76 10.547 -11.158 -12.629
573 1HD ARG 76 2HD ARG 76 8.579 -9.866 -13.093
574 2HD ARG 76 1HD ARG 76 8.180 -11.031 -11.827
575 HE ARG 76 HE ARG 76 8.936 -8.296 -11.080
576 1HH1 ARG 76 1HH1 ARG 76 6.506 -10.742 -11.253
577 2HH1 ARG 76 2HH1 ARG 76 5.425 -9.886 -10.211
578 1HH2 ARG 76 1HH2 ARG 76 7.562 -7.226 -9.763
579 2HH2 ARG 76 2HH2 ARG 76 5.996 -7.879 -9.414
580 H GLY 77 H GLY 77 14.175 -10.058 -11.013
581 1HA GLY 77 2HA GLY 77 14.694 -7.735 -11.365
582 2HA GLY 77 1HA GLY 77 13.562 -7.318 -10.088
583 H GLY 78 H GLY 78 14.821 -9.652 -8.506
584 1HA GLY 78 2HA GLY 78 16.808 -10.085 -7.324
585 2HA GLY 78 1HA GLY 78 17.488 -8.591 -7.939
586 H ALA 79 H ALA 79 15.178 -6.966 -7.094
587 HA ALA 79 HA ALA 79 16.079 -6.436 -4.413
588 1HB ALA 79 1HB ALA 79 13.884 -5.119 -6.016
589 2HB ALA 79 2HB ALA 79 15.571 -4.608 -5.953
590 3HB ALA 79 3HB ALA 79 14.567 -4.513 -4.506
591 H ARG 80 H ARG 80 14.383 -5.915 -2.690
592 HA ARG 80 HA ARG 80 12.858 -8.330 -2.205
593 1HB ARG 80 2HB ARG 80 13.157 -5.871 -0.458
594 2HB ARG 80 1HB ARG 80 12.570 -7.452 0.049
595 1HG ARG 80 2HG ARG 80 14.738 -8.431 -0.296
596 2HG ARG 80 1HG ARG 80 15.353 -6.934 -1.000
597 1HD ARG 80 2HD ARG 80 14.924 -5.812 1.192
598 2HD ARG 80 1HD ARG 80 14.488 -7.385 1.861
599 HE ARG 80 HE ARG 80 16.921 -7.892 0.888
600 1HH1 ARG 80 1HH1 ARG 80 15.776 -5.287 2.837
601 2HH1 ARG 80 2HH1 ARG 80 17.313 -5.027 3.578
602 1HH2 ARG 80 1HH2 ARG 80 18.882 -7.543 1.831
603 2HH2 ARG 80 2HH2 ARG 80 19.065 -6.296 3.017
604 H PHE 81 H PHE 81 10.854 -8.506 -3.072
605 HA PHE 81 HA PHE 81 9.112 -6.116 -3.075
606 1HB PHE 81 2HB PHE 81 9.054 -8.506 -4.936
607 2HB PHE 81 1HB PHE 81 7.933 -7.148 -4.986
608 HD1 PHE 81 HD2 PHE 81 8.929 -4.813 -5.360
609 HD2 PHE 81 HD1 PHE 81 11.050 -8.423 -6.151
610 HE1 PHE 81 HE2 PHE 81 10.462 -3.586 -6.838
611 HE2 PHE 81 HE1 PHE 81 12.586 -7.197 -7.630
612 HZ PHE 81 HZ PHE 81 12.290 -4.778 -7.980
613 HA PRO 82 HA PRO 82 6.752 -8.717 -0.160
614 1HB PRO 82 2HB PRO 82 5.229 -6.664 0.801
615 2HB PRO 82 1HB PRO 82 6.853 -7.022 1.394
616 1HG PRO 82 2HG PRO 82 5.955 -4.933 -0.548
617 2HG PRO 82 1HG PRO 82 7.178 -4.825 0.731
618 1HD PRO 82 2HD PRO 82 7.791 -5.161 -1.913
619 2HD PRO 82 1HD PRO 82 8.818 -5.748 -0.591
620 H HIS 83 H HIS 83 5.301 -9.949 -1.240
621 HA HIS 83 HA HIS 83 3.047 -8.613 -2.606
622 1HB HIS 83 2HB HIS 83 4.261 -11.356 -2.962
623 2HB HIS 83 1HB HIS 83 2.672 -10.952 -3.598
624 HD1 HIS 83 HD1 HIS 83 5.906 -11.282 -4.796
625 HD2 HIS 83 HD2 HIS 83 3.053 -8.290 -5.175
626 HE1 HIS 83 HE1 HIS 83 6.565 -9.986 -6.839
627 HE2 HIS 83 HE2 HIS 83 4.684 -8.352 -7.181
628 H LEU 84 H LEU 84 1.210 -8.526 -1.494
629 HA LEU 84 HA LEU 84 0.731 -10.362 0.731
630 1HB LEU 84 2HB LEU 84 0.221 -7.685 0.400
631 2HB LEU 84 1HB LEU 84 -1.352 -8.375 0.057
632 HG LEU 84 HG LEU 84 0.238 -8.627 2.617
633 1HD1 LEU 84 1HD1 LEU 84 -1.716 -7.508 3.608
634 2HD1 LEU 84 2HD1 LEU 84 -2.417 -7.336 2.000
635 3HD1 LEU 84 3HD1 LEU 84 -0.905 -6.515 2.396
636 1HD2 LEU 84 1HD2 LEU 84 -0.842 -10.767 2.154
637 2HD2 LEU 84 2HD2 LEU 84 -2.389 -9.950 1.931
638 3HD2 LEU 84 3HD2 LEU 84 -1.609 -9.946 3.513
639 H TYR 85 H TYR 85 -0.326 -12.211 0.391
640 HA TYR 85 HA TYR 85 -1.835 -12.619 -2.064
641 1HB TYR 85 2HB TYR 85 -1.217 -14.583 0.161
642 2HB TYR 85 1HB TYR 85 -1.802 -14.976 -1.454
643 HD1 TYR 85 HD2 TYR 85 -0.301 -14.536 -3.436
644 HD2 TYR 85 HD1 TYR 85 1.104 -14.275 0.574
645 HE1 TYR 85 HE2 TYR 85 2.014 -14.683 -4.244
646 HE2 TYR 85 HE1 TYR 85 3.422 -14.425 -0.225
647 HH TYR 85 HH TYR 85 4.301 -13.998 -3.440
648 H ARG 86 H ARG 86 -2.743 -11.142 0.565
649 HA ARG 86 HA ARG 86 -5.424 -12.363 0.697
650 1HB ARG 86 2HB ARG 86 -3.886 -11.222 3.048
651 2HB ARG 86 1HB ARG 86 -5.504 -11.909 3.099
652 1HG ARG 86 2HG ARG 86 -4.578 -14.098 2.447
653 2HG ARG 86 1HG ARG 86 -2.960 -13.393 2.457
654 1HD ARG 86 2HD ARG 86 -3.452 -14.618 4.537
655 2HD ARG 86 1HD ARG 86 -3.150 -12.904 4.826
656 HE ARG 86 HE ARG 86 -5.554 -12.617 5.069
657 1HH1 ARG 86 1HH1 ARG 86 -4.323 -15.825 5.298
658 2HH1 ARG 86 2HH1 ARG 86 -5.701 -16.407 6.163
659 1HH2 ARG 86 1HH2 ARG 86 -7.302 -13.371 6.180
660 2HH2 ARG 86 2HH2 ARG 86 -7.374 -15.032 6.657
661 HA PRO 87 HA PRO 87 -6.934 -8.240 -0.076
662 1HB PRO 87 2HB PRO 87 -9.343 -8.335 1.213
663 2HB PRO 87 1HB PRO 87 -9.038 -9.128 -0.338
664 1HG PRO 87 2HG PRO 87 -9.014 -10.298 2.427
665 2HG PRO 87 1HG PRO 87 -9.736 -10.953 0.944
666 1HD PRO 87 2HD PRO 87 -7.363 -11.828 1.870
667 2HD PRO 87 1HD PRO 87 -7.695 -11.704 0.130
668 H LEU 88 H LEU 88 -6.542 -6.294 0.849
669 HA LEU 88 HA LEU 88 -5.908 -6.235 3.701
670 1HB LEU 88 2HB LEU 88 -4.329 -5.314 2.046
671 2HB LEU 88 1HB LEU 88 -5.528 -4.144 1.542
672 HG LEU 88 HG LEU 88 -4.602 -4.168 4.406
673 1HD1 LEU 88 1HD1 LEU 88 -2.547 -4.175 3.086
674 2HD1 LEU 88 2HD1 LEU 88 -2.811 -2.598 3.830
675 3HD1 LEU 88 3HD1 LEU 88 -3.152 -2.833 2.115
676 1HD2 LEU 88 1HD2 LEU 88 -5.564 -1.993 2.537
677 2HD2 LEU 88 2HD2 LEU 88 -5.056 -1.746 4.207
678 3HD2 LEU 88 3HD2 LEU 88 -6.479 -2.724 3.855
679 H LEU 89 H LEU 89 -7.670 -5.963 4.983
680 HA LEU 89 HA LEU 89 -9.910 -4.323 4.234
681 1HB LEU 89 2HB LEU 89 -9.166 -5.348 6.981
682 2HB LEU 89 1HB LEU 89 -10.739 -4.749 6.484
683 HG LEU 89 HG LEU 89 -9.403 -7.290 5.524
684 1HD1 LEU 89 1HD1 LEU 89 -10.267 -7.469 7.782
685 2HD1 LEU 89 2HD1 LEU 89 -11.263 -8.402 6.666
686 3HD1 LEU 89 3HD1 LEU 89 -11.831 -6.841 7.257
687 1HD2 LEU 89 1HD2 LEU 89 -10.684 -6.302 3.712
688 2HD2 LEU 89 2HD2 LEU 89 -12.084 -6.119 4.769
689 3HD2 LEU 89 3HD2 LEU 89 -11.510 -7.730 4.334
690 H VAL 90 H VAL 90 -10.375 -2.178 4.850
691 HA VAL 90 HA VAL 90 -8.194 -0.487 5.312
692 HB VAL 90 HB VAL 90 -9.813 1.297 5.539
693 1HG1 VAL 90 1HG1 VAL 90 -9.308 0.480 3.307
694 2HG1 VAL 90 2HG1 VAL 90 -10.978 1.037 3.403
695 3HG1 VAL 90 3HG1 VAL 90 -10.621 -0.691 3.430
696 1HG2 VAL 90 1HG2 VAL 90 -12.237 0.849 5.523
697 2HG2 VAL 90 2HG2 VAL 90 -11.452 0.243 6.980
698 3HG2 VAL 90 3HG2 VAL 90 -11.897 -0.874 5.690
699 H SER 91 H SER 91 -10.446 -2.000 7.531
700 HA SER 91 HA SER 91 -9.835 -0.477 9.845
701 1HB SER 91 2HB SER 91 -10.886 -2.338 11.089
702 2HB SER 91 1HB SER 91 -11.856 -1.875 9.691
703 HG SER 91 HG SER 91 -11.620 -4.154 9.880
704 H GLU 92 H GLU 92 -7.968 -2.698 8.117
705 HA GLU 92 HA GLU 92 -6.469 -3.700 10.418
706 1HB GLU 92 2HB GLU 92 -7.047 -5.216 8.560
707 2HB GLU 92 1HB GLU 92 -6.117 -4.217 7.454
708 1HG GLU 92 2HG GLU 92 -4.062 -4.792 8.572
709 2HG GLU 92 1HG GLU 92 -4.944 -5.650 9.836
710 H VAL 93 H VAL 93 -6.261 -1.143 8.111
711 HA VAL 93 HA VAL 93 -3.457 -0.887 7.851
712 HB VAL 93 HB VAL 93 -5.529 1.319 7.705
713 1HG1 VAL 93 1HG1 VAL 93 -2.750 1.161 6.522
714 2HG1 VAL 93 2HG1 VAL 93 -3.241 2.170 7.883
715 3HG1 VAL 93 3HG1 VAL 93 -3.906 2.472 6.279
716 1HG2 VAL 93 1HG2 VAL 93 -5.558 0.885 5.290
717 2HG2 VAL 93 2HG2 VAL 93 -6.086 -0.529 6.203
718 3HG2 VAL 93 3HG2 VAL 93 -4.460 -0.477 5.519
719 H THR 94 H THR 94 -2.007 -0.478 9.422
720 HA THR 94 HA THR 94 -2.569 0.446 12.002
721 HB THR 94 HB THR 94 0.057 0.687 10.500
722 HG1 THR 94 HG1 THR 94 -0.835 -1.335 12.314
723 1HG2 THR 94 1HG2 THR 94 0.017 2.113 12.499
724 2HG2 THR 94 2HG2 THR 94 1.099 0.740 12.726
725 3HG2 THR 94 3HG2 THR 94 -0.496 0.738 13.476
726 H ARG 95 H ARG 95 -1.028 2.293 9.344
727 HA ARG 95 HA ARG 95 -2.523 4.660 10.188
728 1HB ARG 95 2HB ARG 95 -0.337 4.802 11.353
729 2HB ARG 95 1HB ARG 95 0.478 4.716 9.798
730 1HG ARG 95 2HG ARG 95 0.398 7.010 10.550
731 2HG ARG 95 1HG ARG 95 -0.617 6.818 9.119
732 1HD ARG 95 2HD ARG 95 -2.576 6.544 10.706
733 2HD ARG 95 1HD ARG 95 -1.491 7.061 11.995
734 HE ARG 95 HE ARG 95 -1.792 8.822 9.681
735 1HH1 ARG 95 1HH1 ARG 95 -2.394 8.210 13.022
736 2HH1 ARG 95 2HH1 ARG 95 -3.065 9.779 13.292
737 1HH2 ARG 95 1HH2 ARG 95 -2.648 10.824 10.050
738 2HH2 ARG 95 2HH2 ARG 95 -3.199 11.244 11.634
739 H GLU 96 H GLU 96 -2.974 6.090 8.567
740 HA GLU 96 HA GLU 96 -2.034 5.403 5.852
741 1HB GLU 96 2HB GLU 96 -4.204 6.459 5.070
742 2HB GLU 96 1HB GLU 96 -4.367 4.935 5.932
743 1HG GLU 96 2HG GLU 96 -4.973 6.162 7.972
744 2HG GLU 96 1HG GLU 96 -4.838 7.683 7.092
745 H ALA 97 H ALA 97 -0.430 6.820 5.406
746 HA ALA 97 HA ALA 97 -0.575 9.567 6.401
747 1HB ALA 97 1HB ALA 97 1.662 8.187 4.912
748 2HB ALA 97 2HB ALA 97 1.522 8.309 6.665
749 3HB ALA 97 3HB ALA 97 1.746 9.767 5.695
750 H ASP 98 H ASP 98 -1.813 10.881 5.168
751 HA ASP 98 HA ASP 98 -2.047 10.725 2.339
752 1HB ASP 98 2HB ASP 98 -3.708 11.801 3.900
753 2HB ASP 98 1HB ASP 98 -2.571 13.125 4.117
754 H LEU 99 H LEU 99 -0.423 11.143 0.949
755 HA LEU 99 HA LEU 99 2.036 12.246 1.777
756 1HB LEU 99 2HB LEU 99 0.995 11.680 -1.000
757 2HB LEU 99 1HB LEU 99 2.653 12.134 -0.643
758 HG LEU 99 HG LEU 99 1.247 9.628 0.308
759 1HD1 LEU 99 1HD1 LEU 99 3.490 10.014 -1.674
760 2HD1 LEU 99 2HD1 LEU 99 1.838 9.520 -2.043
761 3HD1 LEU 99 3HD1 LEU 99 2.884 8.460 -1.100
762 1HD2 LEU 99 1HD2 LEU 99 2.794 10.425 2.010
763 2HD2 LEU 99 2HD2 LEU 99 4.078 10.563 0.807
764 3HD2 LEU 99 3HD2 LEU 99 3.428 8.978 1.229
765 H ASP 100 H ASP 100 2.650 14.237 2.036
766 HA ASP 100 HA ASP 100 0.968 16.447 1.433
767 1HB ASP 100 2HB ASP 100 2.788 17.782 2.476
768 2HB ASP 100 1HB ASP 100 2.278 16.416 3.463
769 H LEU 101 H LEU 101 4.019 15.302 0.086
770 HA LEU 101 HA LEU 101 5.148 15.743 -1.839
771 1HB LEU 101 2HB LEU 101 2.709 17.306 -2.701
772 2HB LEU 101 1HB LEU 101 4.014 16.769 -3.738
773 HG LEU 101 HG LEU 101 2.012 14.996 -2.326
774 1HD1 LEU 101 1HD1 LEU 101 1.270 14.469 -4.616
775 2HD1 LEU 101 2HD1 LEU 101 2.385 15.687 -5.240
776 3HD1 LEU 101 3HD1 LEU 101 1.040 16.168 -4.204
777 1HD2 LEU 101 1HD2 LEU 101 3.049 13.154 -3.577
778 2HD2 LEU 101 2HD2 LEU 101 4.177 13.892 -2.441
779 3HD2 LEU 101 3HD2 LEU 101 4.295 14.258 -4.163
780 H ASP 102 H ASP 102 6.794 17.171 -2.190
781 HA ASP 102 HA ASP 102 6.254 20.042 -1.834
782 1HB ASP 102 2HB ASP 102 7.262 19.067 0.276
783 2HB ASP 102 1HB ASP 102 8.711 18.721 -0.662
784 H ALA 103 H ALA 103 7.898 21.438 -2.737
785 HA ALA 103 HA ALA 103 9.263 22.215 -4.353
786 1HB ALA 103 1HB ALA 103 10.891 20.843 -3.121
787 2HB ALA 103 2HB ALA 103 11.278 20.983 -4.837
788 3HB ALA 103 3HB ALA 103 10.558 19.498 -4.214
789 H ASP 104 H ASP 104 9.197 18.829 -5.511
790 HA ASP 104 HA ASP 104 8.575 19.900 -8.191
791 1HB ASP 104 2HB ASP 104 9.798 17.218 -7.507
792 2HB ASP 104 1HB ASP 104 9.734 17.992 -9.088
793 H GLY 105 H GLY 105 6.701 18.834 -5.888
794 1HA GLY 105 2HA GLY 105 4.697 17.680 -5.812
795 2HA GLY 105 1HA GLY 105 4.818 17.472 -7.554
796 H VAL 106 H VAL 106 7.314 16.458 -5.374
797 HA VAL 106 HA VAL 106 6.729 13.616 -5.939
798 HB VAL 106 HB VAL 106 9.376 14.921 -5.218
799 1HG1 VAL 106 1HG1 VAL 106 9.255 12.615 -4.424
800 2HG1 VAL 106 2HG1 VAL 106 10.395 12.761 -5.762
801 3HG1 VAL 106 3HG1 VAL 106 8.796 12.071 -6.037
802 1HG2 VAL 106 1HG2 VAL 106 8.662 15.548 -7.464
803 2HG2 VAL 106 2HG2 VAL 106 8.426 13.849 -7.878
804 3HG2 VAL 106 3HG2 VAL 106 10.046 14.456 -7.531
805 HA PRO 107 HA PRO 107 6.226 13.185 -1.463
806 1HB PRO 107 2HB PRO 107 6.768 10.314 -1.817
807 2HB PRO 107 1HB PRO 107 5.290 11.115 -1.275
808 1HG PRO 107 2HG PRO 107 5.468 9.908 -3.684
809 2HG PRO 107 1HG PRO 107 4.475 11.353 -3.423
810 1HD PRO 107 2HD PRO 107 7.209 11.127 -4.651
811 2HD PRO 107 1HD PRO 107 5.815 12.099 -5.176
812 H GLN 108 H GLN 108 8.057 14.113 -0.527
813 HA GLN 108 HA GLN 108 10.639 12.816 -0.692
814 1HB GLN 108 2HB GLN 108 9.711 15.204 0.916
815 2HB GLN 108 1HB GLN 108 11.357 14.593 0.946
816 1HG GLN 108 2HG GLN 108 11.377 16.416 -0.527
817 2HG GLN 108 1HG GLN 108 11.414 14.985 -1.552
818 1HE2 GLN 108 1HE2 GLN 108 10.607 16.170 -3.304
819 2HE2 GLN 108 2HE2 GLN 108 8.953 16.653 -3.383
820 H LEU 109 H LEU 109 9.985 10.734 0.223
821 HA LEU 109 HA LEU 109 9.277 10.467 2.957
822 1HB LEU 109 2HB LEU 109 10.447 8.609 0.917
823 2HB LEU 109 1HB LEU 109 10.413 8.122 2.600
824 HG LEU 109 HG LEU 109 7.967 8.355 2.635
825 1HD1 LEU 109 1HD1 LEU 109 8.234 9.021 -0.296
826 2HD1 LEU 109 2HD1 LEU 109 7.683 10.106 0.984
827 3HD1 LEU 109 3HD1 LEU 109 6.721 8.693 0.553
828 1HD2 LEU 109 1HD2 LEU 109 7.444 6.434 1.214
829 2HD2 LEU 109 2HD2 LEU 109 8.951 6.196 2.097
830 3HD2 LEU 109 3HD2 LEU 109 8.990 6.622 0.385
831 H GLY 110 H GLY 110 12.312 11.007 1.340
832 1HA GLY 110 2HA GLY 110 14.142 10.267 3.315
833 2HA GLY 110 1HA GLY 110 14.388 11.567 2.163
834 H ASP 111 H ASP 111 11.959 12.995 3.284
835 HA ASP 111 HA ASP 111 13.256 14.119 5.665
836 1HB ASP 111 2HB ASP 111 10.996 15.166 3.944
837 2HB ASP 111 1HB ASP 111 11.624 15.988 5.371
838 H HIS 112 H HIS 112 10.770 11.969 4.879
839 HA HIS 112 HA HIS 112 9.199 12.447 7.292
840 1HB HIS 112 2HB HIS 112 8.946 10.487 5.012
841 2HB HIS 112 1HB HIS 112 7.969 10.334 6.464
842 HD1 HIS 112 HD1 HIS 112 6.514 12.625 7.006
843 HD2 HIS 112 HD2 HIS 112 7.812 12.011 3.110
844 HE1 HIS 112 HE1 HIS 112 5.010 14.031 5.574
845 HE2 HIS 112 HE2 HIS 112 5.999 13.864 3.269
846 H LEU 113 H LEU 113 11.553 10.131 6.064
847 HA LEU 113 HA LEU 113 11.208 8.345 8.335
848 1HB LEU 113 2HB LEU 113 13.306 8.102 6.177
849 2HB LEU 113 1HB LEU 113 12.650 6.840 7.201
850 HG LEU 113 HG LEU 113 11.288 8.209 4.879
851 1HD1 LEU 113 1HD1 LEU 113 12.868 6.432 4.309
852 2HD1 LEU 113 2HD1 LEU 113 11.208 5.980 3.925
853 3HD1 LEU 113 3HD1 LEU 113 11.994 5.316 5.359
854 1HD2 LEU 113 1HD2 LEU 113 10.090 6.289 6.883
855 2HD2 LEU 113 2HD2 LEU 113 9.342 6.754 5.354
856 3HD2 LEU 113 3HD2 LEU 113 9.616 7.966 6.603
857 H ALA 114 H ALA 114 13.690 7.427 8.921
858 HA ALA 114 HA ALA 114 14.754 9.518 10.563
859 1HB ALA 114 1HB ALA 114 16.328 7.825 11.365
860 2HB ALA 114 2HB ALA 114 15.803 6.731 10.085
861 3HB ALA 114 3HB ALA 114 14.673 7.211 11.349
862 H LEU 115 H LEU 115 15.232 10.945 8.675
863 HA LEU 115 HA LEU 115 16.654 12.036 7.299
864 1HB LEU 115 2HB LEU 115 18.756 10.539 8.860
865 2HB LEU 115 1HB LEU 115 19.059 11.924 7.828
866 HG LEU 115 HG LEU 115 17.380 11.942 10.346
867 1HD1 LEU 115 1HD1 LEU 115 20.120 13.086 9.811
868 2HD1 LEU 115 2HD1 LEU 115 19.747 11.699 10.836
869 3HD1 LEU 115 3HD1 LEU 115 19.179 13.307 11.286
870 1HD2 LEU 115 1HD2 LEU 115 18.173 14.210 8.514
871 2HD2 LEU 115 2HD2 LEU 115 17.336 14.377 10.058
872 3HD2 LEU 115 3HD2 LEU 115 16.549 13.549 8.716
873 H GLU 116 H GLU 116 18.885 9.314 7.453
874 HA GLU 116 HA GLU 116 19.706 7.882 5.877
875 1HB GLU 116 2HB GLU 116 17.257 7.156 6.118
876 2HB GLU 116 1HB GLU 116 16.968 7.986 4.598
877 1HG GLU 116 2HG GLU 116 17.248 5.698 4.079
878 2HG GLU 116 1HG GLU 116 18.731 6.506 3.573
Start of MODEL 9
1 1H MET 1 1H MET 1 6.685 -6.984 12.755
2 2H MET 1 2H MET 1 7.373 -8.243 13.647
3 3H MET 1 3H MET 1 7.523 -8.224 11.964
4 HA MET 1 HA MET 1 8.687 -6.250 13.847
5 1HB MET 1 2HB MET 1 10.864 -7.209 13.211
6 2HB MET 1 1HB MET 1 9.824 -8.397 13.983
7 1HG MET 1 2HG MET 1 9.313 -9.402 11.850
8 2HG MET 1 1HG MET 1 10.227 -8.151 11.008
9 1HE MET 1 1HE MET 1 12.423 -11.390 10.528
10 2HE MET 1 2HE MET 1 11.509 -10.118 9.716
11 3HE MET 1 3HE MET 1 10.663 -11.361 10.638
12 H THR 2 H THR 2 7.810 -6.969 10.559
13 HA THR 2 HA THR 2 9.587 -4.898 9.477
14 HB THR 2 HB THR 2 8.861 -5.684 7.252
15 HG1 THR 2 HG1 THR 2 6.789 -6.424 7.620
16 1HG2 THR 2 1HG2 THR 2 10.787 -6.780 8.319
17 2HG2 THR 2 2HG2 THR 2 9.877 -7.917 7.323
18 3HG2 THR 2 3HG2 THR 2 9.701 -7.947 9.078
19 H LEU 3 H LEU 3 8.877 -3.067 8.407
20 HA LEU 3 HA LEU 3 6.049 -2.325 8.783
21 1HB LEU 3 2HB LEU 3 8.199 -0.922 9.514
22 2HB LEU 3 1HB LEU 3 8.130 -0.378 7.852
23 HG LEU 3 HG LEU 3 7.032 1.220 9.307
24 1HD1 LEU 3 1HD1 LEU 3 5.006 -0.273 7.644
25 2HD1 LEU 3 2HD1 LEU 3 6.103 0.984 7.072
26 3HD1 LEU 3 3HD1 LEU 3 4.843 1.381 8.239
27 1HD2 LEU 3 1HD2 LEU 3 6.435 -0.311 11.118
28 2HD2 LEU 3 2HD2 LEU 3 5.181 -1.025 10.104
29 3HD2 LEU 3 3HD2 LEU 3 5.057 0.661 10.607
30 H ILE 4 H ILE 4 4.722 -2.312 7.060
31 HA ILE 4 HA ILE 4 5.922 -2.506 4.366
32 HB ILE 4 HB ILE 4 3.687 -3.510 3.714
33 1HG1 ILE 4 2HG1 ILE 4 3.398 -3.693 6.730
34 2HG1 ILE 4 1HG1 ILE 4 2.394 -2.726 5.656
35 1HG2 ILE 4 1HG2 ILE 4 4.288 -5.738 4.572
36 2HG2 ILE 4 2HG2 ILE 4 5.394 -4.988 5.723
37 3HG2 ILE 4 3HG2 ILE 4 5.701 -4.855 3.991
38 1HD1 ILE 4 1HD1 ILE 4 1.340 -4.829 6.417
39 2HD1 ILE 4 2HD1 ILE 4 2.586 -5.728 5.547
40 3HD1 ILE 4 3HD1 ILE 4 1.464 -4.691 4.666
41 H TYR 5 H TYR 5 4.847 -1.485 2.573
42 HA TYR 5 HA TYR 5 3.199 0.845 3.311
43 1HB TYR 5 2HB TYR 5 5.672 0.869 1.566
44 2HB TYR 5 1HB TYR 5 4.543 2.212 1.685
45 HD1 TYR 5 HD2 TYR 5 7.115 0.277 3.490
46 HD2 TYR 5 HD1 TYR 5 4.530 3.657 3.619
47 HE1 TYR 5 HE2 TYR 5 8.367 1.155 5.416
48 HE2 TYR 5 HE1 TYR 5 5.773 4.542 5.546
49 HH TYR 5 HH TYR 5 7.226 3.720 7.342
50 H LYS 6 H LYS 6 2.108 1.889 1.483
51 HA LYS 6 HA LYS 6 1.916 0.508 -1.055
52 1HB LYS 6 2HB LYS 6 0.366 -0.879 0.114
53 2HB LYS 6 1HB LYS 6 -0.373 0.497 0.919
54 1HG LYS 6 2HG LYS 6 -1.883 -0.275 -0.751
55 2HG LYS 6 1HG LYS 6 -1.220 1.263 -1.297
56 1HD LYS 6 2HD LYS 6 -1.240 -0.150 -3.195
57 2HD LYS 6 1HD LYS 6 0.440 -0.080 -2.667
58 1HE LYS 6 2HE LYS 6 -1.367 -2.293 -1.741
59 2HE LYS 6 1HE LYS 6 -0.597 -2.371 -3.320
60 1HZ LYS 6 1HZ LYS 6 1.550 -2.259 -2.282
61 2HZ LYS 6 2HZ LYS 6 0.666 -3.511 -1.575
62 3HZ LYS 6 3HZ LYS 6 0.858 -2.050 -0.750
63 H ILE 7 H ILE 7 1.977 2.160 -2.474
64 HA ILE 7 HA ILE 7 0.687 4.714 -1.778
65 HB ILE 7 HB ILE 7 2.696 4.106 -3.962
66 1HG1 ILE 7 2HG1 ILE 7 3.044 5.572 -1.327
67 2HG1 ILE 7 1HG1 ILE 7 3.633 3.949 -1.669
68 1HG2 ILE 7 1HG2 ILE 7 2.850 6.544 -4.237
69 2HG2 ILE 7 2HG2 ILE 7 1.569 6.760 -3.044
70 3HG2 ILE 7 3HG2 ILE 7 1.221 5.957 -4.575
71 1HD1 ILE 7 1HD1 ILE 7 5.086 4.882 -3.425
72 2HD1 ILE 7 2HD1 ILE 7 5.435 5.534 -1.824
73 3HD1 ILE 7 3HD1 ILE 7 4.533 6.501 -2.991
74 H LEU 8 H LEU 8 -1.136 5.351 -2.780
75 HA LEU 8 HA LEU 8 -1.792 4.445 -5.467
76 1HB LEU 8 2HB LEU 8 -3.908 3.461 -4.932
77 2HB LEU 8 1HB LEU 8 -2.678 2.651 -3.983
78 HG LEU 8 HG LEU 8 -4.551 4.783 -2.921
79 1HD1 LEU 8 1HD1 LEU 8 -5.770 2.763 -3.517
80 2HD1 LEU 8 2HD1 LEU 8 -5.688 2.955 -1.767
81 3HD1 LEU 8 3HD1 LEU 8 -4.643 1.786 -2.576
82 1HD2 LEU 8 1HD2 LEU 8 -2.439 4.699 -1.699
83 2HD2 LEU 8 2HD2 LEU 8 -2.622 2.959 -1.476
84 3HD2 LEU 8 3HD2 LEU 8 -3.760 4.070 -0.714
85 H SER 9 H SER 9 -3.847 5.518 -6.262
86 HA SER 9 HA SER 9 -3.810 8.305 -5.651
87 1HB SER 9 2HB SER 9 -5.633 6.612 -7.365
88 2HB SER 9 1HB SER 9 -5.886 8.347 -7.164
89 HG SER 9 HG SER 9 -3.566 7.066 -8.212
90 H ARG 10 H ARG 10 -5.414 9.631 -4.688
91 HA ARG 10 HA ARG 10 -6.450 8.641 -2.288
92 1HB ARG 10 2HB ARG 10 -5.965 11.009 -2.580
93 2HB ARG 10 1HB ARG 10 -7.233 11.149 -3.791
94 1HG ARG 10 2HG ARG 10 -8.004 12.050 -1.687
95 2HG ARG 10 1HG ARG 10 -8.915 10.591 -2.077
96 1HD ARG 10 2HD ARG 10 -7.052 9.432 -0.603
97 2HD ARG 10 1HD ARG 10 -6.881 11.056 0.067
98 HE ARG 10 HE ARG 10 -9.583 10.033 -0.036
99 1HH1 ARG 10 1HH1 ARG 10 -6.733 10.392 1.873
100 2HH1 ARG 10 2HH1 ARG 10 -7.569 10.095 3.354
101 1HH2 ARG 10 1HH2 ARG 10 -10.626 9.620 1.856
102 2HH2 ARG 10 2HH2 ARG 10 -9.749 9.662 3.351
103 H ALA 11 H ALA 11 -8.271 9.509 -5.254
104 HA ALA 11 HA ALA 11 -10.813 8.760 -4.426
105 1HB ALA 11 1HB ALA 11 -11.353 8.476 -6.798
106 2HB ALA 11 2HB ALA 11 -9.633 8.460 -7.190
107 3HB ALA 11 3HB ALA 11 -10.374 9.918 -6.531
108 H GLU 12 H GLU 12 -8.240 6.726 -5.756
109 HA GLU 12 HA GLU 12 -9.716 4.307 -5.842
110 1HB GLU 12 2HB GLU 12 -7.642 4.648 -7.116
111 2HB GLU 12 1HB GLU 12 -6.727 4.755 -5.620
112 1HG GLU 12 2HG GLU 12 -7.142 2.444 -5.123
113 2HG GLU 12 1HG GLU 12 -8.263 2.307 -6.477
114 H TRP 13 H TRP 13 -7.731 5.840 -3.333
115 HA TRP 13 HA TRP 13 -7.825 3.734 -1.457
116 1HB TRP 13 2HB TRP 13 -6.235 5.508 -1.133
117 2HB TRP 13 1HB TRP 13 -7.512 6.719 -1.073
118 HD1 TRP 13 HD1 TRP 13 -7.682 7.591 1.327
119 HE1 TRP 13 HE1 TRP 13 -7.653 6.557 3.684
120 HE3 TRP 13 HE3 TRP 13 -6.813 2.704 0.071
121 HZ2 TRP 13 HZ2 TRP 13 -7.311 4.019 4.854
122 HZ3 TRP 13 HZ3 TRP 13 -6.651 1.038 1.875
123 HH2 TRP 13 HH2 TRP 13 -6.895 1.685 4.218
124 H ASP 14 H ASP 14 -9.945 6.608 -1.808
125 HA ASP 14 HA ASP 14 -11.724 5.951 0.264
126 1HB ASP 14 2HB ASP 14 -12.193 7.519 -2.281
127 2HB ASP 14 1HB ASP 14 -13.371 7.402 -0.977
128 H ALA 15 H ALA 15 -11.546 4.793 -3.052
129 HA ALA 15 HA ALA 15 -14.022 3.444 -3.172
130 1HB ALA 15 1HB ALA 15 -12.610 3.807 -5.142
131 2HB ALA 15 2HB ALA 15 -13.007 2.100 -4.945
132 3HB ALA 15 3HB ALA 15 -11.410 2.692 -4.490
133 H ALA 16 H ALA 16 -10.790 2.035 -2.500
134 HA ALA 16 HA ALA 16 -11.659 -0.456 -1.574
135 1HB ALA 16 1HB ALA 16 -9.461 -0.681 -0.556
136 2HB ALA 16 2HB ALA 16 -9.196 1.057 -0.694
137 3HB ALA 16 3HB ALA 16 -9.324 0.066 -2.147
138 H LYS 17 H LYS 17 -11.304 2.601 0.118
139 HA LYS 17 HA LYS 17 -11.776 1.623 2.747
140 1HB LYS 17 2HB LYS 17 -10.627 3.744 2.282
141 2HB LYS 17 1HB LYS 17 -12.112 4.409 1.621
142 1HG LYS 17 2HG LYS 17 -13.124 4.567 3.715
143 2HG LYS 17 1HG LYS 17 -12.014 3.406 4.446
144 1HD LYS 17 2HD LYS 17 -11.580 5.747 5.147
145 2HD LYS 17 1HD LYS 17 -10.199 4.992 4.350
146 1HE LYS 17 2HE LYS 17 -10.473 7.271 3.568
147 2HE LYS 17 1HE LYS 17 -10.807 6.146 2.254
148 1HZ LYS 17 1HZ LYS 17 -12.824 7.574 3.901
149 2HZ LYS 17 2HZ LYS 17 -13.188 6.445 2.698
150 3HZ LYS 17 3HZ LYS 17 -12.431 7.901 2.290
151 H ALA 18 H ALA 18 -13.900 2.756 0.171
152 HA ALA 18 HA ALA 18 -16.301 2.723 1.728
153 1HB ALA 18 1HB ALA 18 -17.461 2.787 -0.439
154 2HB ALA 18 2HB ALA 18 -15.927 2.495 -1.262
155 3HB ALA 18 3HB ALA 18 -16.170 3.986 -0.352
156 H GLN 19 H GLN 19 -14.393 0.301 0.177
157 HA GLN 19 HA GLN 19 -16.421 -1.780 0.350
158 1HB GLN 19 2HB GLN 19 -13.456 -1.988 -0.262
159 2HB GLN 19 1HB GLN 19 -14.644 -3.266 -0.473
160 1HG GLN 19 2HG GLN 19 -15.749 -1.999 -2.209
161 2HG GLN 19 1HG GLN 19 -14.649 -0.644 -1.960
162 1HE2 GLN 19 1HE2 GLN 19 -12.314 -2.357 -1.581
163 2HE2 GLN 19 2HE2 GLN 19 -11.911 -2.976 -3.140
164 H GLY 20 H GLY 20 -13.967 -0.418 2.346
165 1HA GLY 20 2HA GLY 20 -13.255 -0.958 4.484
166 2HA GLY 20 1HA GLY 20 -14.371 -2.317 4.477
167 H ARG 21 H ARG 21 -12.678 -2.613 1.700
168 HA ARG 21 HA ARG 21 -10.435 -4.103 2.839
169 1HB ARG 21 2HB ARG 21 -12.347 -5.642 2.680
170 2HB ARG 21 1HB ARG 21 -12.521 -5.253 0.976
171 1HG ARG 21 2HG ARG 21 -10.239 -6.183 0.597
172 2HG ARG 21 1HG ARG 21 -10.230 -6.703 2.286
173 1HD ARG 21 2HD ARG 21 -10.932 -8.560 0.954
174 2HD ARG 21 1HD ARG 21 -12.339 -7.951 1.831
175 HE ARG 21 HE ARG 21 -11.933 -6.974 -0.884
176 1HH1 ARG 21 1HH1 ARG 21 -13.651 -9.072 1.241
177 2HH1 ARG 21 2HH1 ARG 21 -14.929 -9.338 0.106
178 1HH2 ARG 21 1HH2 ARG 21 -13.575 -7.325 -2.319
179 2HH2 ARG 21 2HH2 ARG 21 -14.890 -8.364 -1.881
180 H PHE 22 H PHE 22 -8.666 -4.198 1.529
181 HA PHE 22 HA PHE 22 -8.819 -2.935 -1.134
182 1HB PHE 22 2HB PHE 22 -7.374 -1.748 0.448
183 2HB PHE 22 1HB PHE 22 -6.485 -3.227 0.783
184 HD1 PHE 22 HD1 PHE 22 -7.185 -0.674 -1.795
185 HD2 PHE 22 HD2 PHE 22 -4.694 -3.928 -0.624
186 HE1 PHE 22 HE1 PHE 22 -5.608 -0.118 -3.595
187 HE2 PHE 22 HE2 PHE 22 -3.119 -3.375 -2.426
188 HZ PHE 22 HZ PHE 22 -3.571 -1.468 -3.915
189 H GLU 23 H GLU 23 -8.952 -4.492 -2.685
190 HA GLU 23 HA GLU 23 -7.088 -6.766 -2.463
191 1HB GLU 23 2HB GLU 23 -8.676 -8.223 -3.570
192 2HB GLU 23 1HB GLU 23 -9.388 -7.539 -2.122
193 1HG GLU 23 2HG GLU 23 -9.928 -6.544 -4.917
194 2HG GLU 23 1HG GLU 23 -10.930 -7.713 -4.066
195 H GLY 24 H GLY 24 -5.495 -5.722 -3.653
196 1HA GLY 24 2HA GLY 24 -4.238 -5.614 -5.559
197 2HA GLY 24 1HA GLY 24 -5.506 -6.513 -6.360
198 H SER 25 H SER 25 -4.075 -3.381 -5.863
199 HA SER 25 HA SER 25 -5.901 -1.983 -7.604
200 1HB SER 25 2HB SER 25 -3.067 -1.341 -6.721
201 2HB SER 25 1HB SER 25 -4.030 -0.281 -7.747
202 HG SER 25 HG SER 25 -4.758 0.487 -5.939
203 H ALA 26 H ALA 26 -4.692 -0.892 -9.670
204 HA ALA 26 HA ALA 26 -4.600 -2.796 -11.650
205 1HB ALA 26 1HB ALA 26 -4.817 -0.402 -12.073
206 2HB ALA 26 2HB ALA 26 -3.546 -1.110 -13.069
207 3HB ALA 26 3HB ALA 26 -3.125 -0.163 -11.640
208 H VAL 27 H VAL 27 -1.782 -1.444 -9.933
209 HA VAL 27 HA VAL 27 0.154 -2.985 -11.341
210 HB VAL 27 HB VAL 27 0.458 -1.721 -8.608
211 1HG1 VAL 27 1HG1 VAL 27 2.500 -2.488 -10.703
212 2HG1 VAL 27 2HG1 VAL 27 2.243 -3.283 -9.150
213 3HG1 VAL 27 3HG1 VAL 27 2.849 -1.628 -9.201
214 1HG2 VAL 27 1HG2 VAL 27 -0.353 -0.075 -10.233
215 2HG2 VAL 27 2HG2 VAL 27 0.962 -0.499 -11.329
216 3HG2 VAL 27 3HG2 VAL 27 1.319 0.253 -9.775
217 H ASP 28 H ASP 28 -1.402 -3.408 -8.152
218 HA ASP 28 HA ASP 28 -0.006 -5.757 -7.403
219 1HB ASP 28 2HB ASP 28 -2.777 -4.862 -6.556
220 2HB ASP 28 1HB ASP 28 -1.758 -6.027 -5.714
221 H LEU 29 H LEU 29 -2.819 -5.262 -9.443
222 HA LEU 29 HA LEU 29 -3.571 -8.006 -9.648
223 1HB LEU 29 2HB LEU 29 -4.031 -5.675 -11.519
224 2HB LEU 29 1HB LEU 29 -4.736 -7.265 -11.746
225 HG LEU 29 HG LEU 29 -5.254 -5.449 -9.381
226 1HD1 LEU 29 1HD1 LEU 29 -7.476 -5.155 -10.322
227 2HD1 LEU 29 2HD1 LEU 29 -7.042 -6.156 -11.707
228 3HD1 LEU 29 3HD1 LEU 29 -6.242 -4.604 -11.456
229 1HD2 LEU 29 1HD2 LEU 29 -6.505 -8.100 -10.120
230 2HD2 LEU 29 2HD2 LEU 29 -6.984 -7.066 -8.774
231 3HD2 LEU 29 3HD2 LEU 29 -5.390 -7.819 -8.783
232 H ALA 30 H ALA 30 -1.361 -5.907 -11.457
233 HA ALA 30 HA ALA 30 -0.506 -7.776 -13.385
234 1HB ALA 30 1HB ALA 30 0.041 -5.384 -13.493
235 2HB ALA 30 2HB ALA 30 1.486 -6.388 -13.614
236 3HB ALA 30 3HB ALA 30 1.107 -5.567 -12.100
237 H ASP 31 H ASP 31 0.904 -6.995 -10.188
238 HA ASP 31 HA ASP 31 2.758 -9.107 -10.075
239 1HB ASP 31 2HB ASP 31 1.351 -7.463 -7.986
240 2HB ASP 31 1HB ASP 31 2.361 -8.820 -7.503
241 H GLY 32 H GLY 32 -0.699 -9.085 -9.604
242 1HA GLY 32 2HA GLY 32 -2.106 -10.971 -9.517
243 2HA GLY 32 1HA GLY 32 -0.710 -11.980 -9.176
244 H PHE 33 H PHE 33 0.385 -10.750 -7.015
245 HA PHE 33 HA PHE 33 -1.739 -10.783 -4.963
246 1HB PHE 33 2HB PHE 33 1.163 -11.631 -4.686
247 2HB PHE 33 1HB PHE 33 -0.006 -11.583 -3.371
248 HD1 PHE 33 HD1 PHE 33 -2.135 -13.032 -3.664
249 HD2 PHE 33 HD2 PHE 33 1.436 -13.587 -5.920
250 HE1 PHE 33 HE1 PHE 33 -2.820 -15.336 -4.180
251 HE2 PHE 33 HE2 PHE 33 0.754 -15.895 -6.436
252 HZ PHE 33 HZ PHE 33 -1.378 -16.767 -5.565
253 H ILE 34 H ILE 34 -1.621 -9.229 -3.311
254 HA ILE 34 HA ILE 34 -0.938 -6.659 -4.087
255 HB ILE 34 HB ILE 34 -1.249 -7.690 -1.255
256 1HG1 ILE 34 2HG1 ILE 34 -3.278 -6.478 -3.163
257 2HG1 ILE 34 1HG1 ILE 34 -3.192 -8.174 -2.700
258 1HG2 ILE 34 1HG2 ILE 34 -1.511 -4.864 -2.303
259 2HG2 ILE 34 2HG2 ILE 34 -0.168 -5.480 -1.341
260 3HG2 ILE 34 3HG2 ILE 34 -1.783 -5.394 -0.641
261 1HD1 ILE 34 1HD1 ILE 34 -3.768 -5.879 -0.837
262 2HD1 ILE 34 2HD1 ILE 34 -3.725 -7.587 -0.403
263 3HD1 ILE 34 3HD1 ILE 34 -4.958 -6.990 -1.514
264 H HIS 35 H HIS 35 1.031 -5.800 -4.458
265 HA HIS 35 HA HIS 35 3.352 -6.834 -3.016
266 1HB HIS 35 2HB HIS 35 4.739 -5.721 -4.619
267 2HB HIS 35 1HB HIS 35 3.435 -6.494 -5.506
268 HD1 HIS 35 HD1 HIS 35 5.079 -3.274 -4.977
269 HD2 HIS 35 HD2 HIS 35 1.438 -4.607 -6.465
270 HE1 HIS 35 HE1 HIS 35 4.123 -1.338 -6.240
271 HE2 HIS 35 HE2 HIS 35 1.823 -2.091 -6.903
272 H LEU 36 H LEU 36 3.721 -5.999 -1.095
273 HA LEU 36 HA LEU 36 2.891 -3.289 -0.424
274 1HB LEU 36 2HB LEU 36 4.086 -5.495 1.263
275 2HB LEU 36 1HB LEU 36 3.443 -3.983 1.880
276 HG LEU 36 HG LEU 36 1.752 -5.937 0.322
277 1HD1 LEU 36 1HD1 LEU 36 0.869 -6.681 2.512
278 2HD1 LEU 36 2HD1 LEU 36 2.172 -5.792 3.300
279 3HD1 LEU 36 3HD1 LEU 36 2.546 -7.144 2.234
280 1HD2 LEU 36 1HD2 LEU 36 0.916 -3.646 0.443
281 2HD2 LEU 36 2HD2 LEU 36 1.046 -3.683 2.204
282 3HD2 LEU 36 3HD2 LEU 36 -0.097 -4.743 1.380
283 H SER 37 H SER 37 4.792 -2.902 -2.178
284 HA SER 37 HA SER 37 7.471 -3.034 -1.662
285 1HB SER 37 2HB SER 37 6.050 -0.648 -2.883
286 2HB SER 37 1HB SER 37 7.745 -1.079 -3.111
287 HG SER 37 HG SER 37 7.165 -2.435 -4.602
288 H ALA 38 H ALA 38 8.493 -2.564 0.188
289 HA ALA 38 HA ALA 38 7.578 -0.292 1.816
290 1HB ALA 38 1HB ALA 38 8.656 -1.407 3.695
291 2HB ALA 38 2HB ALA 38 9.257 -2.668 2.618
292 3HB ALA 38 3HB ALA 38 7.522 -2.488 2.885
293 H GLY 39 H GLY 39 8.943 1.264 2.605
294 1HA GLY 39 2HA GLY 39 10.755 2.648 2.780
295 2HA GLY 39 1HA GLY 39 11.693 1.172 2.861
296 H GLU 40 H GLU 40 13.193 0.896 1.352
297 HA GLU 40 HA GLU 40 13.849 2.820 -0.552
298 1HB GLU 40 2HB GLU 40 14.591 -0.120 -0.548
299 2HB GLU 40 1HB GLU 40 15.401 1.129 -1.484
300 1HG GLU 40 2HG GLU 40 16.132 2.221 0.564
301 2HG GLU 40 1HG GLU 40 15.267 1.027 1.530
302 H GLN 41 H GLN 41 12.187 -0.289 -1.030
303 HA GLN 41 HA GLN 41 11.842 -0.122 -3.809
304 1HB GLN 41 2HB GLN 41 10.222 -1.529 -1.680
305 2HB GLN 41 1HB GLN 41 9.903 -1.713 -3.400
306 1HG GLN 41 2HG GLN 41 12.136 -2.626 -3.738
307 2HG GLN 41 1HG GLN 41 12.500 -2.400 -2.028
308 1HE2 GLN 41 1HE2 GLN 41 11.666 -3.835 -0.534
309 2HE2 GLN 41 2HE2 GLN 41 10.876 -5.303 -0.986
310 H ALA 42 H ALA 42 9.809 1.090 -1.174
311 HA ALA 42 HA ALA 42 7.603 1.930 -2.703
312 1HB ALA 42 1HB ALA 42 7.526 1.759 -0.269
313 2HB ALA 42 2HB ALA 42 7.061 3.378 -0.790
314 3HB ALA 42 3HB ALA 42 8.669 3.093 -0.124
315 H GLN 43 H GLN 43 10.356 3.883 -1.500
316 HA GLN 43 HA GLN 43 9.609 6.255 -2.811
317 1HB GLN 43 2HB GLN 43 11.166 6.299 -0.957
318 2HB GLN 43 1HB GLN 43 12.329 5.336 -1.859
319 1HG GLN 43 2HG GLN 43 12.960 7.696 -1.787
320 2HG GLN 43 1HG GLN 43 12.660 7.151 -3.435
321 1HE2 GLN 43 1HE2 GLN 43 11.536 9.168 -0.845
322 2HE2 GLN 43 2HE2 GLN 43 10.396 10.065 -1.774
323 H GLU 44 H GLU 44 11.971 3.750 -3.827
324 HA GLU 44 HA GLU 44 12.767 5.157 -6.145
325 1HB GLU 44 2HB GLU 44 12.986 2.213 -5.495
326 2HB GLU 44 1HB GLU 44 13.742 2.976 -6.889
327 1HG GLU 44 2HG GLU 44 14.886 4.528 -5.217
328 2HG GLU 44 1HG GLU 44 14.348 3.397 -3.976
329 H THR 45 H THR 45 10.012 3.094 -5.586
330 HA THR 45 HA THR 45 9.344 2.936 -8.401
331 HB THR 45 HB THR 45 7.641 2.385 -5.954
332 HG1 THR 45 HG1 THR 45 9.070 0.752 -6.039
333 1HG2 THR 45 1HG2 THR 45 7.078 1.807 -8.872
334 2HG2 THR 45 2HG2 THR 45 6.223 2.969 -7.856
335 3HG2 THR 45 3HG2 THR 45 6.106 1.243 -7.514
336 H ALA 46 H ALA 46 8.413 4.922 -5.628
337 HA ALA 46 HA ALA 46 6.385 6.420 -6.897
338 1HB ALA 46 1HB ALA 46 6.640 7.991 -5.039
339 2HB ALA 46 2HB ALA 46 8.145 7.199 -4.569
340 3HB ALA 46 3HB ALA 46 6.616 6.322 -4.473
341 H ALA 47 H ALA 47 9.861 7.143 -6.453
342 HA ALA 47 HA ALA 47 9.789 9.760 -7.474
343 1HB ALA 47 1HB ALA 47 11.608 8.903 -6.083
344 2HB ALA 47 2HB ALA 47 12.216 9.599 -7.585
345 3HB ALA 47 3HB ALA 47 12.121 7.847 -7.400
346 H LYS 48 H LYS 48 9.910 6.700 -9.156
347 HA LYS 48 HA LYS 48 10.541 8.032 -11.687
348 1HB LYS 48 2HB LYS 48 10.514 5.163 -10.793
349 2HB LYS 48 1HB LYS 48 10.485 5.571 -12.493
350 1HG LYS 48 2HG LYS 48 12.746 5.141 -11.913
351 2HG LYS 48 1HG LYS 48 12.589 6.884 -12.146
352 1HD LYS 48 2HD LYS 48 12.392 7.158 -9.687
353 2HD LYS 48 1HD LYS 48 12.643 5.418 -9.498
354 1HE LYS 48 2HE LYS 48 14.838 5.667 -10.631
355 2HE LYS 48 1HE LYS 48 14.580 7.411 -10.683
356 1HZ LYS 48 1HZ LYS 48 14.778 5.752 -8.226
357 2HZ LYS 48 2HZ LYS 48 14.493 7.421 -8.258
358 3HZ LYS 48 3HZ LYS 48 15.961 6.802 -8.820
359 H TRP 49 H TRP 49 8.124 5.725 -10.415
360 HA TRP 49 HA TRP 49 6.528 5.930 -12.800
361 1HB TRP 49 2HB TRP 49 5.944 4.524 -10.179
362 2HB TRP 49 1HB TRP 49 5.038 4.323 -11.675
363 HD1 TRP 49 HD1 TRP 49 8.652 3.735 -10.371
364 HE1 TRP 49 HE1 TRP 49 9.623 1.701 -11.604
365 HE3 TRP 49 HE3 TRP 49 4.766 2.783 -13.559
366 HZ2 TRP 49 HZ2 TRP 49 8.845 -0.084 -13.649
367 HZ3 TRP 49 HZ3 TRP 49 4.959 0.889 -15.120
368 HH2 TRP 49 HH2 TRP 49 6.959 -0.515 -15.163
369 H PHE 50 H PHE 50 6.313 7.257 -9.520
370 HA PHE 50 HA PHE 50 3.662 8.376 -10.190
371 1HB PHE 50 2HB PHE 50 4.891 7.769 -7.493
372 2HB PHE 50 1HB PHE 50 3.328 8.548 -7.725
373 HD1 PHE 50 HD2 PHE 50 1.467 7.280 -8.808
374 HD2 PHE 50 HD1 PHE 50 5.124 5.401 -7.680
375 HE1 PHE 50 HE2 PHE 50 0.374 5.081 -8.943
376 HE2 PHE 50 HE1 PHE 50 4.030 3.198 -7.817
377 HZ PHE 50 HZ PHE 50 1.655 3.037 -8.447
378 H ARG 51 H ARG 51 6.688 9.471 -10.358
379 HA ARG 51 HA ARG 51 6.720 11.820 -8.814
380 1HB ARG 51 2HB ARG 51 8.390 12.672 -10.473
381 2HB ARG 51 1HB ARG 51 8.769 11.092 -9.801
382 1HG ARG 51 2HG ARG 51 8.016 10.008 -11.838
383 2HG ARG 51 1HG ARG 51 7.524 11.565 -12.513
384 1HD ARG 51 2HD ARG 51 9.769 12.320 -12.646
385 2HD ARG 51 1HD ARG 51 10.353 10.997 -11.638
386 HE ARG 51 HE ARG 51 9.159 10.336 -14.226
387 1HH1 ARG 51 1HH1 ARG 51 11.972 10.624 -12.261
388 2HH1 ARG 51 2HH1 ARG 51 12.958 9.705 -13.343
389 1HH2 ARG 51 1HH2 ARG 51 10.428 9.152 -15.595
390 2HH2 ARG 51 2HH2 ARG 51 12.096 8.893 -15.217
391 H GLY 52 H GLY 52 5.945 13.859 -9.094
392 1HA GLY 52 2HA GLY 52 4.994 15.676 -10.253
393 2HA GLY 52 1HA GLY 52 4.637 14.611 -11.602
394 H GLN 53 H GLN 53 3.404 12.633 -9.659
395 HA GLN 53 HA GLN 53 0.738 13.784 -9.764
396 1HB GLN 53 2HB GLN 53 1.711 11.014 -9.024
397 2HB GLN 53 1HB GLN 53 0.015 11.486 -9.072
398 1HG GLN 53 2HG GLN 53 0.202 11.969 -11.454
399 2HG GLN 53 1HG GLN 53 1.913 11.543 -11.415
400 1HE2 GLN 53 1HE2 GLN 53 2.497 9.389 -11.321
401 2HE2 GLN 53 2HE2 GLN 53 1.376 8.104 -11.587
402 H ALA 54 H ALA 54 -0.072 14.909 -8.111
403 HA ALA 54 HA ALA 54 0.971 14.449 -5.390
404 1HB ALA 54 1HB ALA 54 0.228 16.680 -4.867
405 2HB ALA 54 2HB ALA 54 -0.603 16.812 -6.418
406 3HB ALA 54 3HB ALA 54 1.159 16.724 -6.365
407 H ASN 55 H ASN 55 -1.595 13.427 -7.149
408 HA ASN 55 HA ASN 55 -3.680 13.898 -5.165
409 1HB ASN 55 2HB ASN 55 -3.822 12.481 -7.837
410 2HB ASN 55 1HB ASN 55 -5.195 12.935 -6.831
411 1HD2 ASN 55 1HD2 ASN 55 -5.733 15.133 -6.645
412 2HD2 ASN 55 2HD2 ASN 55 -5.173 16.299 -7.789
413 H LEU 56 H LEU 56 -1.310 11.880 -4.915
414 HA LEU 56 HA LEU 56 -2.920 9.487 -4.374
415 1HB LEU 56 2HB LEU 56 -0.534 8.430 -4.409
416 2HB LEU 56 1HB LEU 56 -1.399 8.744 -5.893
417 HG LEU 56 HG LEU 56 -0.086 10.918 -6.041
418 1HD1 LEU 56 1HD1 LEU 56 1.594 9.582 -3.917
419 2HD1 LEU 56 2HD1 LEU 56 0.660 11.068 -3.733
420 3HD1 LEU 56 3HD1 LEU 56 2.037 11.025 -4.832
421 1HD2 LEU 56 1HD2 LEU 56 1.403 8.296 -6.190
422 2HD2 LEU 56 2HD2 LEU 56 1.887 9.801 -6.977
423 3HD2 LEU 56 3HD2 LEU 56 0.387 9.002 -7.448
424 H VAL 57 H VAL 57 -2.307 8.157 -2.566
425 HA VAL 57 HA VAL 57 -1.156 9.641 -0.289
426 HB VAL 57 HB VAL 57 -3.444 7.657 -0.145
427 1HG1 VAL 57 1HG1 VAL 57 -3.697 8.432 2.160
428 2HG1 VAL 57 2HG1 VAL 57 -2.317 9.512 1.959
429 3HG1 VAL 57 3HG1 VAL 57 -2.086 7.765 1.891
430 1HG2 VAL 57 1HG2 VAL 57 -3.552 10.674 -0.008
431 2HG2 VAL 57 2HG2 VAL 57 -4.902 9.584 0.312
432 3HG2 VAL 57 3HG2 VAL 57 -4.195 9.660 -1.301
433 H LEU 58 H LEU 58 0.202 8.498 1.067
434 HA LEU 58 HA LEU 58 0.951 5.782 0.244
435 1HB LEU 58 2HB LEU 58 2.800 7.289 0.357
436 2HB LEU 58 1HB LEU 58 2.329 7.863 1.943
437 HG LEU 58 HG LEU 58 3.042 4.966 1.675
438 1HD1 LEU 58 1HD1 LEU 58 4.818 6.085 0.416
439 2HD1 LEU 58 2HD1 LEU 58 5.419 5.450 1.947
440 3HD1 LEU 58 3HD1 LEU 58 5.101 7.176 1.775
441 1HD2 LEU 58 1HD2 LEU 58 3.967 5.350 3.924
442 2HD2 LEU 58 2HD2 LEU 58 2.274 5.826 3.826
443 3HD2 LEU 58 3HD2 LEU 58 3.537 7.057 3.806
444 H LEU 59 H LEU 59 0.566 4.027 1.481
445 HA LEU 59 HA LEU 59 -0.732 4.411 4.100
446 1HB LEU 59 2HB LEU 59 -0.688 1.973 2.304
447 2HB LEU 59 1HB LEU 59 -1.573 2.118 3.812
448 HG LEU 59 HG LEU 59 -2.102 3.730 1.306
449 1HD1 LEU 59 1HD1 LEU 59 -3.648 1.459 2.556
450 2HD1 LEU 59 2HD1 LEU 59 -2.743 1.402 1.042
451 3HD1 LEU 59 3HD1 LEU 59 -4.172 2.426 1.175
452 1HD2 LEU 59 1HD2 LEU 59 -3.596 3.651 3.933
453 2HD2 LEU 59 2HD2 LEU 59 -4.098 4.523 2.484
454 3HD2 LEU 59 3HD2 LEU 59 -2.625 4.996 3.329
455 H ALA 60 H ALA 60 0.282 3.795 5.923
456 HA ALA 60 HA ALA 60 2.650 2.024 5.721
457 1HB ALA 60 1HB ALA 60 2.166 4.258 7.700
458 2HB ALA 60 2HB ALA 60 3.283 4.302 6.335
459 3HB ALA 60 3HB ALA 60 3.569 3.189 7.672
460 H VAL 61 H VAL 61 2.448 0.113 6.728
461 HA VAL 61 HA VAL 61 0.578 -0.140 9.005
462 HB VAL 61 HB VAL 61 0.788 -2.181 6.772
463 1HG1 VAL 61 1HG1 VAL 61 0.150 -3.164 8.896
464 2HG1 VAL 61 2HG1 VAL 61 -1.237 -3.149 7.808
465 3HG1 VAL 61 3HG1 VAL 61 -1.124 -1.961 9.106
466 1HG2 VAL 61 1HG2 VAL 61 -0.245 -0.182 5.871
467 2HG2 VAL 61 2HG2 VAL 61 -1.368 -0.112 7.229
468 3HG2 VAL 61 3HG2 VAL 61 -1.463 -1.443 6.075
469 H GLU 62 H GLU 62 1.370 -1.346 10.697
470 HA GLU 62 HA GLU 62 3.938 -2.638 10.516
471 1HB GLU 62 2HB GLU 62 1.849 -2.670 12.712
472 2HB GLU 62 1HB GLU 62 3.417 -3.452 12.840
473 1HG GLU 62 2HG GLU 62 3.658 -1.429 13.975
474 2HG GLU 62 1HG GLU 62 4.432 -1.156 12.417
475 H ALA 63 H ALA 63 4.361 -4.719 9.996
476 HA ALA 63 HA ALA 63 2.394 -6.278 8.732
477 1HB ALA 63 1HB ALA 63 5.098 -7.187 9.717
478 2HB ALA 63 2HB ALA 63 4.790 -6.371 8.185
479 3HB ALA 63 3HB ALA 63 4.110 -7.971 8.483
480 H GLU 64 H GLU 64 3.977 -6.792 11.899
481 HA GLU 64 HA GLU 64 3.477 -8.086 13.694
482 1HB GLU 64 2HB GLU 64 1.207 -7.097 13.533
483 2HB GLU 64 1HB GLU 64 0.737 -8.382 12.432
484 1HG GLU 64 2HG GLU 64 1.042 -10.037 14.182
485 2HG GLU 64 1HG GLU 64 1.605 -8.789 15.289
486 HA PRO 65 HA PRO 65 4.557 -12.187 12.247
487 1HB PRO 65 2HB PRO 65 4.034 -13.602 14.562
488 2HB PRO 65 1HB PRO 65 5.511 -12.680 14.263
489 1HG PRO 65 2HG PRO 65 3.065 -11.886 15.798
490 2HG PRO 65 1HG PRO 65 4.774 -11.622 16.197
491 1HD PRO 65 2HD PRO 65 3.263 -9.651 15.176
492 2HD PRO 65 1HD PRO 65 4.967 -9.826 14.722
493 H LEU 66 H LEU 66 2.599 -11.989 10.856
494 HA LEU 66 HA LEU 66 0.110 -13.143 11.640
495 1HB LEU 66 2HB LEU 66 1.224 -12.744 8.858
496 2HB LEU 66 1HB LEU 66 -0.457 -13.041 9.264
497 HG LEU 66 HG LEU 66 1.130 -10.573 10.007
498 1HD1 LEU 66 1HD1 LEU 66 -0.302 -9.419 8.404
499 2HD1 LEU 66 2HD1 LEU 66 -1.076 -10.946 7.979
500 3HD1 LEU 66 3HD1 LEU 66 0.632 -10.693 7.619
501 1HD2 LEU 66 1HD2 LEU 66 -1.794 -11.206 10.439
502 2HD2 LEU 66 2HD2 LEU 66 -1.004 -9.667 10.784
503 3HD2 LEU 66 3HD2 LEU 66 -0.557 -11.109 11.693
504 H GLY 67 H GLY 67 2.598 -14.325 9.373
505 1HA GLY 67 2HA GLY 67 2.831 -16.924 10.250
506 2HA GLY 67 1HA GLY 67 1.445 -16.937 9.168
507 H GLU 68 H GLU 68 1.934 -17.513 7.135
508 HA GLU 68 HA GLU 68 4.524 -16.638 6.010
509 1HB GLU 68 2HB GLU 68 3.275 -19.380 5.669
510 2HB GLU 68 1HB GLU 68 4.725 -18.814 4.846
511 1HG GLU 68 2HG GLU 68 5.855 -18.565 7.007
512 2HG GLU 68 1HG GLU 68 4.407 -19.142 7.829
513 H ASP 69 H ASP 69 1.537 -15.847 5.754
514 HA ASP 69 HA ASP 69 0.998 -16.289 2.950
515 1HB ASP 69 2HB ASP 69 -0.856 -14.559 3.391
516 2HB ASP 69 1HB ASP 69 -0.956 -16.102 4.230
517 H LEU 70 H LEU 70 2.221 -13.588 4.900
518 HA LEU 70 HA LEU 70 2.700 -11.934 2.583
519 1HB LEU 70 2HB LEU 70 2.273 -10.873 4.723
520 2HB LEU 70 1HB LEU 70 3.647 -11.691 5.443
521 HG LEU 70 HG LEU 70 5.180 -10.420 3.993
522 1HD1 LEU 70 1HD1 LEU 70 4.361 -8.566 2.635
523 2HD1 LEU 70 2HD1 LEU 70 2.698 -9.016 3.010
524 3HD1 LEU 70 3HD1 LEU 70 3.717 -10.107 2.070
525 1HD2 LEU 70 1HD2 LEU 70 3.243 -8.674 5.517
526 2HD2 LEU 70 2HD2 LEU 70 4.874 -8.220 5.024
527 3HD2 LEU 70 3HD2 LEU 70 4.637 -9.520 6.191
528 H LYS 71 H LYS 71 4.094 -12.771 1.153
529 HA LYS 71 HA LYS 71 6.578 -14.031 2.055
530 1HB LYS 71 2HB LYS 71 5.143 -13.925 -0.590
531 2HB LYS 71 1HB LYS 71 6.815 -14.456 -0.486
532 1HG LYS 71 2HG LYS 71 6.208 -16.295 0.936
533 2HG LYS 71 1HG LYS 71 4.541 -15.718 1.039
534 1HD LYS 71 2HD LYS 71 4.845 -17.603 -0.558
535 2HD LYS 71 1HD LYS 71 4.186 -16.150 -1.303
536 1HE LYS 71 2HE LYS 71 6.494 -15.581 -2.081
537 2HE LYS 71 1HE LYS 71 7.038 -17.136 -1.451
538 1HZ LYS 71 1HZ LYS 71 5.566 -18.254 -2.975
539 2HZ LYS 71 2HZ LYS 71 6.562 -17.197 -3.840
540 3HZ LYS 71 3HZ LYS 71 4.949 -16.784 -3.536
541 H TRP 72 H TRP 72 8.163 -12.531 2.503
542 HA TRP 72 HA TRP 72 8.707 -10.310 0.760
543 1HB TRP 72 2HB TRP 72 10.282 -11.657 2.962
544 2HB TRP 72 1HB TRP 72 10.989 -10.382 1.979
545 HD1 TRP 72 HD1 TRP 72 8.367 -10.938 4.721
546 HE1 TRP 72 HE1 TRP 72 7.736 -8.648 5.716
547 HE3 TRP 72 HE3 TRP 72 10.837 -7.915 1.428
548 HZ2 TRP 72 HZ2 TRP 72 8.217 -5.919 5.174
549 HZ3 TRP 72 HZ3 TRP 72 10.700 -5.476 1.725
550 HH2 TRP 72 HH2 TRP 72 9.418 -4.498 3.568
551 H GLU 73 H GLU 73 8.568 -11.476 -1.226
552 HA GLU 73 HA GLU 73 10.438 -13.652 -1.720
553 1HB GLU 73 2HB GLU 73 8.088 -13.919 -2.305
554 2HB GLU 73 1HB GLU 73 8.162 -12.517 -3.357
555 1HG GLU 73 2HG GLU 73 9.674 -13.685 -4.857
556 2HG GLU 73 1HG GLU 73 9.702 -15.077 -3.771
557 H ALA 74 H ALA 74 12.380 -13.261 -2.553
558 HA ALA 74 HA ALA 74 12.924 -10.837 -4.075
559 1HB ALA 74 1HB ALA 74 14.767 -13.097 -3.277
560 2HB ALA 74 2HB ALA 74 14.541 -11.587 -2.394
561 3HB ALA 74 3HB ALA 74 15.260 -11.567 -4.005
562 H SER 75 H SER 75 13.196 -10.742 -6.278
563 HA SER 75 HA SER 75 13.334 -13.239 -7.809
564 1HB SER 75 2HB SER 75 10.917 -12.801 -7.488
565 2HB SER 75 1HB SER 75 11.113 -11.221 -8.243
566 HG SER 75 HG SER 75 10.435 -12.595 -9.830
567 H ARG 76 H ARG 76 13.185 -12.592 -10.296
568 HA ARG 76 HA ARG 76 14.253 -11.669 -12.069
569 1HB ARG 76 2HB ARG 76 14.166 -9.172 -10.359
570 2HB ARG 76 1HB ARG 76 14.654 -9.194 -12.048
571 1HG ARG 76 2HG ARG 76 12.455 -9.942 -12.721
572 2HG ARG 76 1HG ARG 76 11.949 -10.063 -11.035
573 1HD ARG 76 2HD ARG 76 12.195 -7.661 -10.757
574 2HD ARG 76 1HD ARG 76 12.810 -7.510 -12.404
575 HE ARG 76 HE ARG 76 10.395 -8.656 -12.768
576 1HH1 ARG 76 1HH1 ARG 76 11.396 -5.860 -11.011
577 2HH1 ARG 76 2HH1 ARG 76 9.901 -5.030 -11.280
578 1HH2 ARG 76 1HH2 ARG 76 8.520 -7.574 -13.134
579 2HH2 ARG 76 2HH2 ARG 76 8.289 -5.991 -12.476
580 H GLY 77 H GLY 77 15.921 -9.787 -9.545
581 1HA GLY 77 2HA GLY 77 18.277 -11.491 -9.676
582 2HA GLY 77 1HA GLY 77 18.490 -9.882 -10.354
583 H GLY 78 H GLY 78 16.313 -10.350 -7.697
584 1HA GLY 78 2HA GLY 78 17.453 -10.159 -5.357
585 2HA GLY 78 1HA GLY 78 18.040 -8.644 -6.031
586 H ALA 79 H ALA 79 16.883 -7.590 -4.259
587 HA ALA 79 HA ALA 79 15.175 -6.331 -3.446
588 1HB ALA 79 1HB ALA 79 13.422 -5.593 -4.972
589 2HB ALA 79 2HB ALA 79 13.884 -6.845 -6.124
590 3HB ALA 79 3HB ALA 79 15.005 -5.537 -5.750
591 H ARG 80 H ARG 80 14.109 -7.173 -1.775
592 HA ARG 80 HA ARG 80 12.563 -9.610 -2.023
593 1HB ARG 80 2HB ARG 80 13.289 -7.815 0.286
594 2HB ARG 80 1HB ARG 80 12.116 -9.115 0.476
595 1HG ARG 80 2HG ARG 80 13.736 -10.776 -0.035
596 2HG ARG 80 1HG ARG 80 14.899 -9.567 -0.582
597 1HD ARG 80 2HD ARG 80 15.325 -10.555 1.712
598 2HD ARG 80 1HD ARG 80 15.288 -8.797 1.622
599 HE ARG 80 HE ARG 80 13.122 -8.842 2.646
600 1HH1 ARG 80 1HH1 ARG 80 14.717 -11.899 2.622
601 2HH1 ARG 80 2HH1 ARG 80 13.869 -12.470 4.015
602 1HH2 ARG 80 1HH2 ARG 80 12.042 -9.594 4.430
603 2HH2 ARG 80 2HH2 ARG 80 12.354 -11.191 5.011
604 H PHE 81 H PHE 81 10.776 -9.189 -3.270
605 HA PHE 81 HA PHE 81 9.071 -6.913 -2.805
606 1HB PHE 81 2HB PHE 81 8.530 -9.372 -4.497
607 2HB PHE 81 1HB PHE 81 7.667 -7.843 -4.573
608 HD1 PHE 81 HD1 PHE 81 8.846 -5.811 -5.446
609 HD2 PHE 81 HD2 PHE 81 10.546 -9.710 -5.688
610 HE1 PHE 81 HE1 PHE 81 10.398 -5.023 -7.186
611 HE2 PHE 81 HE2 PHE 81 12.097 -8.928 -7.427
612 HZ PHE 81 HZ PHE 81 12.029 -6.583 -8.177
613 HA PRO 82 HA PRO 82 6.760 -9.127 0.420
614 1HB PRO 82 2HB PRO 82 5.222 -6.633 0.640
615 2HB PRO 82 1HB PRO 82 6.229 -7.432 1.848
616 1HG PRO 82 2HG PRO 82 6.958 -5.111 0.671
617 2HG PRO 82 1HG PRO 82 8.138 -6.331 1.183
618 1HD PRO 82 2HD PRO 82 7.065 -5.765 -1.563
619 2HD PRO 82 1HD PRO 82 8.731 -6.129 -1.059
620 H HIS 83 H HIS 83 5.766 -10.497 -1.188
621 HA HIS 83 HA HIS 83 3.267 -9.578 -2.391
622 1HB HIS 83 2HB HIS 83 4.764 -12.199 -2.549
623 2HB HIS 83 1HB HIS 83 3.164 -11.983 -3.247
624 HD1 HIS 83 HD1 HIS 83 6.031 -12.495 -4.736
625 HD2 HIS 83 HD2 HIS 83 3.766 -9.004 -4.620
626 HE1 HIS 83 HE1 HIS 83 6.706 -11.184 -6.766
627 HE2 HIS 83 HE2 HIS 83 5.194 -9.170 -6.771
628 H LEU 84 H LEU 84 1.599 -9.402 -1.024
629 HA LEU 84 HA LEU 84 1.210 -11.339 1.133
630 1HB LEU 84 2HB LEU 84 0.973 -8.943 1.614
631 2HB LEU 84 1HB LEU 84 -0.314 -8.820 0.431
632 HG LEU 84 HG LEU 84 -1.729 -10.294 1.809
633 1HD1 LEU 84 1HD1 LEU 84 -1.057 -10.902 4.077
634 2HD1 LEU 84 2HD1 LEU 84 0.541 -10.209 3.798
635 3HD1 LEU 84 3HD1 LEU 84 0.018 -11.621 2.879
636 1HD2 LEU 84 1HD2 LEU 84 -0.588 -7.923 3.290
637 2HD2 LEU 84 2HD2 LEU 84 -2.119 -8.715 3.660
638 3HD2 LEU 84 3HD2 LEU 84 -1.904 -7.893 2.116
639 H TYR 85 H TYR 85 -0.079 -13.052 0.936
640 HA TYR 85 HA TYR 85 -1.718 -13.385 -1.444
641 1HB TYR 85 2HB TYR 85 -0.941 -15.247 0.810
642 2HB TYR 85 1HB TYR 85 -2.061 -15.716 -0.463
643 HD1 TYR 85 HD2 TYR 85 1.129 -13.762 -0.674
644 HD2 TYR 85 HD1 TYR 85 -0.946 -17.332 -1.724
645 HE1 TYR 85 HE2 TYR 85 3.018 -14.441 -2.092
646 HE2 TYR 85 HE1 TYR 85 0.944 -18.018 -3.138
647 HH TYR 85 HH TYR 85 2.840 -16.975 -4.336
648 H ARG 86 H ARG 86 -2.568 -11.550 0.855
649 HA ARG 86 HA ARG 86 -5.279 -12.673 1.167
650 1HB ARG 86 2HB ARG 86 -3.968 -11.078 3.369
651 2HB ARG 86 1HB ARG 86 -5.441 -12.031 3.445
652 1HG ARG 86 2HG ARG 86 -3.960 -14.065 3.056
653 2HG ARG 86 1HG ARG 86 -2.595 -12.994 3.381
654 1HD ARG 86 2HD ARG 86 -4.823 -13.820 5.228
655 2HD ARG 86 1HD ARG 86 -3.087 -14.012 5.451
656 HE ARG 86 HE ARG 86 -4.247 -11.318 5.417
657 1HH1 ARG 86 1HH1 ARG 86 -2.509 -13.790 7.068
658 2HH1 ARG 86 2HH1 ARG 86 -2.312 -12.846 8.503
659 1HH2 ARG 86 1HH2 ARG 86 -3.944 -10.084 7.255
660 2HH2 ARG 86 2HH2 ARG 86 -3.084 -10.761 8.587
661 HA PRO 87 HA PRO 87 -6.581 -8.564 -0.185
662 1HB PRO 87 2HB PRO 87 -9.098 -9.138 1.264
663 2HB PRO 87 1HB PRO 87 -8.845 -8.799 -0.451
664 1HG PRO 87 2HG PRO 87 -9.484 -11.262 0.407
665 2HG PRO 87 1HG PRO 87 -8.376 -11.014 -0.956
666 1HD PRO 87 2HD PRO 87 -7.741 -11.687 1.904
667 2HD PRO 87 1HD PRO 87 -7.032 -12.336 0.408
668 H LEU 88 H LEU 88 -5.726 -6.858 0.910
669 HA LEU 88 HA LEU 88 -5.416 -6.948 3.759
670 1HB LEU 88 2HB LEU 88 -3.855 -5.959 1.897
671 2HB LEU 88 1HB LEU 88 -4.823 -4.513 2.097
672 HG LEU 88 HG LEU 88 -3.258 -5.851 4.319
673 1HD1 LEU 88 1HD1 LEU 88 -1.745 -4.964 2.648
674 2HD1 LEU 88 2HD1 LEU 88 -1.700 -3.969 4.103
675 3HD1 LEU 88 3HD1 LEU 88 -2.581 -3.411 2.680
676 1HD2 LEU 88 1HD2 LEU 88 -4.627 -3.159 4.235
677 2HD2 LEU 88 2HD2 LEU 88 -3.655 -3.792 5.565
678 3HD2 LEU 88 3HD2 LEU 88 -5.176 -4.573 5.137
679 H LEU 89 H LEU 89 -6.970 -6.375 5.161
680 HA LEU 89 HA LEU 89 -9.268 -4.855 4.360
681 1HB LEU 89 2HB LEU 89 -8.403 -5.647 7.147
682 2HB LEU 89 1HB LEU 89 -9.998 -5.086 6.680
683 HG LEU 89 HG LEU 89 -8.702 -7.690 5.854
684 1HD1 LEU 89 1HD1 LEU 89 -10.502 -8.719 7.165
685 2HD1 LEU 89 2HD1 LEU 89 -11.044 -7.118 7.673
686 3HD1 LEU 89 3HD1 LEU 89 -9.455 -7.708 8.160
687 1HD2 LEU 89 1HD2 LEU 89 -11.416 -6.577 5.135
688 2HD2 LEU 89 2HD2 LEU 89 -10.849 -8.209 4.782
689 3HD2 LEU 89 3HD2 LEU 89 -10.058 -6.821 4.036
690 H VAL 90 H VAL 90 -9.815 -2.737 4.855
691 HA VAL 90 HA VAL 90 -7.808 -0.816 5.261
692 HB VAL 90 HB VAL 90 -10.787 -0.559 5.763
693 1HG1 VAL 90 1HG1 VAL 90 -10.436 1.861 5.402
694 2HG1 VAL 90 2HG1 VAL 90 -8.693 1.586 5.353
695 3HG1 VAL 90 3HG1 VAL 90 -9.594 1.269 6.835
696 1HG2 VAL 90 1HG2 VAL 90 -9.183 0.155 3.302
697 2HG2 VAL 90 2HG2 VAL 90 -10.932 0.251 3.501
698 3HG2 VAL 90 3HG2 VAL 90 -10.136 -1.317 3.486
699 H SER 91 H SER 91 -9.827 -2.543 7.539
700 HA SER 91 HA SER 91 -9.093 -1.033 9.853
701 1HB SER 91 2HB SER 91 -10.084 -2.961 11.109
702 2HB SER 91 1HB SER 91 -11.158 -2.294 9.882
703 HG SER 91 HG SER 91 -10.456 -4.786 10.136
704 H GLU 92 H GLU 92 -7.385 -3.353 8.014
705 HA GLU 92 HA GLU 92 -5.604 -4.080 10.209
706 1HB GLU 92 2HB GLU 92 -5.547 -4.749 7.252
707 2HB GLU 92 1HB GLU 92 -4.306 -5.263 8.386
708 1HG GLU 92 2HG GLU 92 -5.997 -6.485 9.672
709 2HG GLU 92 1HG GLU 92 -7.225 -6.001 8.506
710 H VAL 93 H VAL 93 -5.917 -1.622 7.855
711 HA VAL 93 HA VAL 93 -3.160 -0.911 7.581
712 HB VAL 93 HB VAL 93 -5.636 0.766 7.086
713 1HG1 VAL 93 1HG1 VAL 93 -2.777 1.186 6.195
714 2HG1 VAL 93 2HG1 VAL 93 -3.682 2.183 7.335
715 3HG1 VAL 93 3HG1 VAL 93 -4.162 2.126 5.640
716 1HG2 VAL 93 1HG2 VAL 93 -5.623 -1.262 5.733
717 2HG2 VAL 93 2HG2 VAL 93 -3.987 -0.902 5.177
718 3HG2 VAL 93 3HG2 VAL 93 -5.326 0.154 4.724
719 H THR 94 H THR 94 -1.899 0.221 8.935
720 HA THR 94 HA THR 94 -2.860 1.096 11.478
721 HB THR 94 HB THR 94 -0.156 1.570 10.192
722 HG1 THR 94 HG1 THR 94 0.133 -0.147 12.088
723 1HG2 THR 94 1HG2 THR 94 -0.546 3.178 11.982
724 2HG2 THR 94 2HG2 THR 94 0.628 1.969 12.503
725 3HG2 THR 94 3HG2 THR 94 -1.039 1.880 13.070
726 H ARG 95 H ARG 95 -1.205 2.981 8.902
727 HA ARG 95 HA ARG 95 -2.869 5.306 9.516
728 1HB ARG 95 2HB ARG 95 -0.913 6.755 9.952
729 2HB ARG 95 1HB ARG 95 -1.069 5.482 11.156
730 1HG ARG 95 2HG ARG 95 0.641 4.173 9.863
731 2HG ARG 95 1HG ARG 95 0.888 5.609 8.869
732 1HD ARG 95 2HD ARG 95 1.556 6.881 10.845
733 2HD ARG 95 1HD ARG 95 1.255 5.478 11.869
734 HE ARG 95 HE ARG 95 3.556 5.950 10.198
735 1HH1 ARG 95 1HH1 ARG 95 1.692 3.554 11.820
736 2HH1 ARG 95 2HH1 ARG 95 2.992 2.420 11.885
737 1HH2 ARG 95 1HH2 ARG 95 5.227 4.523 10.320
738 2HH2 ARG 95 2HH2 ARG 95 4.999 2.985 11.080
739 H GLU 96 H GLU 96 -2.726 6.999 7.945
740 HA GLU 96 HA GLU 96 -1.602 6.127 5.363
741 1HB GLU 96 2HB GLU 96 -3.526 8.423 5.605
742 2HB GLU 96 1HB GLU 96 -3.271 7.322 4.261
743 1HG GLU 96 2HG GLU 96 -5.304 6.601 5.001
744 2HG GLU 96 1HG GLU 96 -4.247 5.544 5.937
745 H ALA 97 H ALA 97 -1.020 8.099 3.909
746 HA ALA 97 HA ALA 97 0.076 10.378 5.351
747 1HB ALA 97 1HB ALA 97 1.860 8.715 5.532
748 2HB ALA 97 2HB ALA 97 2.348 10.065 4.506
749 3HB ALA 97 3HB ALA 97 1.874 8.529 3.778
750 H ASP 98 H ASP 98 -1.155 11.785 4.148
751 HA ASP 98 HA ASP 98 -1.257 11.702 1.277
752 1HB ASP 98 2HB ASP 98 -2.465 13.837 1.480
753 2HB ASP 98 1HB ASP 98 -3.118 12.628 2.581
754 H LEU 99 H LEU 99 -0.033 12.872 -0.200
755 HA LEU 99 HA LEU 99 1.946 14.758 0.835
756 1HB LEU 99 2HB LEU 99 3.789 13.693 -0.389
757 2HB LEU 99 1HB LEU 99 3.152 12.681 0.889
758 HG LEU 99 HG LEU 99 2.429 12.298 -2.027
759 1HD1 LEU 99 1HD1 LEU 99 4.834 12.017 -1.774
760 2HD1 LEU 99 2HD1 LEU 99 4.053 10.459 -2.042
761 3HD1 LEU 99 3HD1 LEU 99 4.580 10.913 -0.421
762 1HD2 LEU 99 1HD2 LEU 99 0.845 11.308 -0.449
763 2HD2 LEU 99 2HD2 LEU 99 2.165 10.478 0.375
764 3HD2 LEU 99 3HD2 LEU 99 1.758 10.055 -1.288
765 H ASP 100 H ASP 100 1.038 16.470 -0.201
766 HA ASP 100 HA ASP 100 0.668 16.446 -3.078
767 1HB ASP 100 2HB ASP 100 -0.802 17.763 -1.525
768 2HB ASP 100 1HB ASP 100 0.579 18.793 -1.163
769 H LEU 101 H LEU 101 2.165 17.108 -4.559
770 HA LEU 101 HA LEU 101 4.552 18.548 -3.771
771 1HB LEU 101 2HB LEU 101 6.100 16.744 -4.340
772 2HB LEU 101 1HB LEU 101 5.063 16.296 -3.000
773 HG LEU 101 HG LEU 101 3.645 15.268 -5.094
774 1HD1 LEU 101 1HD1 LEU 101 5.245 15.791 -6.783
775 2HD1 LEU 101 2HD1 LEU 101 5.280 14.048 -6.519
776 3HD1 LEU 101 3HD1 LEU 101 6.555 15.070 -5.848
777 1HD2 LEU 101 1HD2 LEU 101 5.837 13.881 -3.557
778 2HD2 LEU 101 2HD2 LEU 101 4.539 13.084 -4.444
779 3HD2 LEU 101 3HD2 LEU 101 4.162 14.086 -3.042
780 H ASP 102 H ASP 102 6.239 18.053 -5.796
781 HA ASP 102 HA ASP 102 4.765 18.253 -8.327
782 1HB ASP 102 2HB ASP 102 6.010 20.304 -8.966
783 2HB ASP 102 1HB ASP 102 4.953 20.559 -7.580
784 H ALA 103 H ALA 103 6.875 18.983 -10.003
785 HA ALA 103 HA ALA 103 8.134 16.429 -10.314
786 1HB ALA 103 1HB ALA 103 9.061 17.346 -12.360
787 2HB ALA 103 2HB ALA 103 8.591 18.975 -11.869
788 3HB ALA 103 3HB ALA 103 7.353 17.767 -12.217
789 H ASP 104 H ASP 104 9.008 18.851 -8.304
790 HA ASP 104 HA ASP 104 11.840 18.096 -8.336
791 1HB ASP 104 2HB ASP 104 10.766 20.920 -8.082
792 2HB ASP 104 1HB ASP 104 12.430 20.461 -7.735
793 H GLY 105 H GLY 105 9.067 19.430 -6.601
794 1HA GLY 105 2HA GLY 105 9.824 19.030 -3.969
795 2HA GLY 105 1HA GLY 105 8.205 18.735 -4.587
796 H VAL 106 H VAL 106 8.296 16.639 -6.136
797 HA VAL 106 HA VAL 106 8.642 14.425 -6.433
798 HB VAL 106 HB VAL 106 11.201 15.391 -5.291
799 1HG1 VAL 106 1HG1 VAL 106 10.939 13.240 -4.095
800 2HG1 VAL 106 2HG1 VAL 106 12.262 13.200 -5.258
801 3HG1 VAL 106 3HG1 VAL 106 10.730 12.419 -5.643
802 1HG2 VAL 106 1HG2 VAL 106 10.769 15.594 -7.655
803 2HG2 VAL 106 2HG2 VAL 106 10.475 13.858 -7.784
804 3HG2 VAL 106 3HG2 VAL 106 12.089 14.452 -7.390
805 HA PRO 107 HA PRO 107 6.498 12.065 -3.379
806 1HB PRO 107 2HB PRO 107 8.837 10.199 -3.728
807 2HB PRO 107 1HB PRO 107 7.116 9.814 -3.568
808 1HG PRO 107 2HG PRO 107 8.282 9.917 -5.976
809 2HG PRO 107 1HG PRO 107 6.624 10.493 -5.733
810 1HD PRO 107 2HD PRO 107 9.074 12.036 -6.288
811 2HD PRO 107 1HD PRO 107 7.378 12.506 -6.491
812 H GLN 108 H GLN 108 6.671 13.287 -1.533
813 HA GLN 108 HA GLN 108 9.068 13.439 0.032
814 1HB GLN 108 2HB GLN 108 6.226 14.323 0.589
815 2HB GLN 108 1HB GLN 108 7.584 14.655 1.660
816 1HG GLN 108 2HG GLN 108 7.426 15.561 -1.222
817 2HG GLN 108 1HG GLN 108 6.967 16.549 0.166
818 1HE2 GLN 108 1HE2 GLN 108 9.082 16.923 -1.842
819 2HE2 GLN 108 2HE2 GLN 108 10.543 17.095 -0.946
820 H LEU 109 H LEU 109 9.409 11.129 0.316
821 HA LEU 109 HA LEU 109 7.658 9.841 2.296
822 1HB LEU 109 2HB LEU 109 9.570 8.841 0.248
823 2HB LEU 109 1HB LEU 109 9.384 7.881 1.705
824 HG LEU 109 HG LEU 109 7.012 7.607 1.293
825 1HD1 LEU 109 1HD1 LEU 109 7.414 9.339 -1.143
826 2HD1 LEU 109 2HD1 LEU 109 6.515 9.768 0.314
827 3HD1 LEU 109 3HD1 LEU 109 5.938 8.467 -0.726
828 1HD2 LEU 109 1HD2 LEU 109 8.538 6.023 0.231
829 2HD2 LEU 109 2HD2 LEU 109 8.616 7.048 -1.203
830 3HD2 LEU 109 3HD2 LEU 109 7.095 6.279 -0.748
831 H GLY 110 H GLY 110 10.644 11.476 2.145
832 1HA GLY 110 2HA GLY 110 12.272 10.073 3.919
833 2HA GLY 110 1HA GLY 110 12.334 11.807 3.666
834 H ASP 111 H ASP 111 9.546 12.152 4.650
835 HA ASP 111 HA ASP 111 10.153 12.102 7.510
836 1HB ASP 111 2HB ASP 111 8.199 13.626 7.691
837 2HB ASP 111 1HB ASP 111 9.436 14.221 6.588
838 H HIS 112 H HIS 112 8.456 10.164 5.332
839 HA HIS 112 HA HIS 112 6.452 9.324 7.317
840 1HB HIS 112 2HB HIS 112 6.693 8.669 4.374
841 2HB HIS 112 1HB HIS 112 5.421 8.067 5.429
842 HD1 HIS 112 HD1 HIS 112 4.347 10.419 6.828
843 HD2 HIS 112 HD2 HIS 112 5.682 10.651 2.903
844 HE1 HIS 112 HE1 HIS 112 3.238 12.445 5.867
845 HE2 HIS 112 HE2 HIS 112 4.276 12.714 3.598
846 H LEU 113 H LEU 113 9.396 8.227 5.835
847 HA LEU 113 HA LEU 113 8.925 5.431 6.431
848 1HB LEU 113 2HB LEU 113 11.559 6.696 5.689
849 2HB LEU 113 1HB LEU 113 11.111 5.008 5.554
850 HG LEU 113 HG LEU 113 10.117 7.302 3.860
851 1HD1 LEU 113 1HD1 LEU 113 11.694 4.828 3.154
852 2HD1 LEU 113 2HD1 LEU 113 12.322 6.473 3.261
853 3HD1 LEU 113 3HD1 LEU 113 11.137 6.063 2.023
854 1HD2 LEU 113 1HD2 LEU 113 9.190 4.429 3.842
855 2HD2 LEU 113 2HD2 LEU 113 8.781 5.647 2.632
856 3HD2 LEU 113 3HD2 LEU 113 8.237 5.843 4.296
857 H ALA 114 H ALA 114 10.360 4.171 7.824
858 HA ALA 114 HA ALA 114 10.822 5.581 10.358
859 1HB ALA 114 1HB ALA 114 10.776 3.366 11.388
860 2HB ALA 114 2HB ALA 114 10.670 2.615 9.794
861 3HB ALA 114 3HB ALA 114 9.347 3.620 10.384
862 H LEU 115 H LEU 115 12.736 5.360 7.915
863 HA LEU 115 HA LEU 115 14.964 3.830 8.930
864 1HB LEU 115 2HB LEU 115 14.632 5.590 6.504
865 2HB LEU 115 1HB LEU 115 16.164 4.850 6.924
866 HG LEU 115 HG LEU 115 15.089 2.606 6.743
867 1HD1 LEU 115 1HD1 LEU 115 12.932 2.397 5.615
868 2HD1 LEU 115 2HD1 LEU 115 12.735 4.150 5.654
869 3HD1 LEU 115 3HD1 LEU 115 12.774 3.231 7.160
870 1HD2 LEU 115 1HD2 LEU 115 16.363 3.579 4.886
871 2HD2 LEU 115 2HD2 LEU 115 14.883 4.307 4.257
872 3HD2 LEU 115 3HD2 LEU 115 15.048 2.550 4.317
873 H GLU 116 H GLU 116 15.707 4.734 10.827
874 HA GLU 116 HA GLU 116 16.552 7.516 10.910
875 1HB GLU 116 2HB GLU 116 16.764 5.233 12.882
876 2HB GLU 116 1HB GLU 116 17.484 6.810 13.179
877 1HG GLU 116 2HG GLU 116 15.294 7.858 13.095
878 2HG GLU 116 1HG GLU 116 14.546 6.306 12.710
Start of MODEL 10
1 1H MET 1 1H MET 1 9.240 -8.039 9.898
2 2H MET 1 2H MET 1 9.544 -9.202 11.083
3 3H MET 1 3H MET 1 10.829 -8.525 10.217
4 HA MET 1 HA MET 1 9.061 -7.130 12.149
5 1HB MET 1 2HB MET 1 12.022 -7.772 12.264
6 2HB MET 1 1HB MET 1 11.133 -6.848 13.466
7 1HG MET 1 2HG MET 1 9.802 -8.790 14.026
8 2HG MET 1 1HG MET 1 10.598 -9.729 12.763
9 1HE MET 1 1HE MET 1 11.988 -11.294 16.098
10 2HE MET 1 2HE MET 1 11.155 -11.625 14.580
11 3HE MET 1 3HE MET 1 10.366 -10.658 15.828
12 H THR 2 H THR 2 8.526 -5.288 11.033
13 HA THR 2 HA THR 2 10.267 -3.137 10.838
14 HB THR 2 HB THR 2 11.388 -4.418 9.015
15 HG1 THR 2 HG1 THR 2 11.797 -2.490 8.270
16 1HG2 THR 2 1HG2 THR 2 10.256 -4.693 6.850
17 2HG2 THR 2 2HG2 THR 2 8.762 -4.072 7.552
18 3HG2 THR 2 3HG2 THR 2 9.434 -5.599 8.120
19 H LEU 3 H LEU 3 9.303 -1.589 8.807
20 HA LEU 3 HA LEU 3 6.370 -1.613 9.187
21 1HB LEU 3 2HB LEU 3 8.195 0.755 8.719
22 2HB LEU 3 1HB LEU 3 6.451 0.836 8.884
23 HG LEU 3 HG LEU 3 8.375 -0.040 11.051
24 1HD1 LEU 3 1HD1 LEU 3 7.770 2.068 12.148
25 2HD1 LEU 3 2HD1 LEU 3 6.807 2.523 10.741
26 3HD1 LEU 3 3HD1 LEU 3 8.556 2.344 10.594
27 1HD2 LEU 3 1HD2 LEU 3 5.384 0.396 11.155
28 2HD2 LEU 3 2HD2 LEU 3 6.423 0.018 12.529
29 3HD2 LEU 3 3HD2 LEU 3 6.208 -1.163 11.236
30 H ILE 4 H ILE 4 5.201 -1.959 7.398
31 HA ILE 4 HA ILE 4 6.507 -1.705 4.768
32 HB ILE 4 HB ILE 4 4.679 -3.162 3.926
33 1HG1 ILE 4 2HG1 ILE 4 3.945 -3.383 6.861
34 2HG1 ILE 4 1HG1 ILE 4 2.964 -2.646 5.601
35 1HG2 ILE 4 1HG2 ILE 4 6.846 -4.097 4.574
36 2HG2 ILE 4 2HG2 ILE 4 5.538 -5.234 4.893
37 3HG2 ILE 4 3HG2 ILE 4 6.260 -4.328 6.223
38 1HD1 ILE 4 1HD1 ILE 4 2.167 -4.866 6.194
39 2HD1 ILE 4 2HD1 ILE 4 3.728 -5.553 5.746
40 3HD1 ILE 4 3HD1 ILE 4 2.709 -4.801 4.520
41 H TYR 5 H TYR 5 5.371 -0.761 2.988
42 HA TYR 5 HA TYR 5 3.138 1.021 3.655
43 1HB TYR 5 2HB TYR 5 5.749 2.015 2.472
44 2HB TYR 5 1HB TYR 5 4.301 2.981 2.724
45 HD1 TYR 5 HD2 TYR 5 7.138 1.322 4.384
46 HD2 TYR 5 HD1 TYR 5 3.716 3.795 4.925
47 HE1 TYR 5 HE2 TYR 5 7.927 1.919 6.635
48 HE2 TYR 5 HE1 TYR 5 4.499 4.395 7.175
49 HH TYR 5 HH TYR 5 5.976 3.473 8.926
50 H LYS 6 H LYS 6 1.648 0.842 2.082
51 HA LYS 6 HA LYS 6 2.579 0.297 -0.675
52 1HB LYS 6 2HB LYS 6 1.105 -1.461 0.221
53 2HB LYS 6 1HB LYS 6 -0.145 -0.261 0.533
54 1HG LYS 6 2HG LYS 6 -0.477 0.126 -1.800
55 2HG LYS 6 1HG LYS 6 0.956 -0.811 -2.223
56 1HD LYS 6 2HD LYS 6 -0.167 -2.839 -1.297
57 2HD LYS 6 1HD LYS 6 -1.618 -1.870 -1.031
58 1HE LYS 6 2HE LYS 6 -1.929 -1.523 -3.363
59 2HE LYS 6 1HE LYS 6 -0.323 -2.133 -3.738
60 1HZ LYS 6 1HZ LYS 6 -1.054 -4.331 -2.969
61 2HZ LYS 6 2HZ LYS 6 -1.956 -3.782 -4.291
62 3HZ LYS 6 3HZ LYS 6 -2.615 -3.725 -2.734
63 H ILE 7 H ILE 7 2.366 1.859 -2.130
64 HA ILE 7 HA ILE 7 0.742 4.221 -1.498
65 HB ILE 7 HB ILE 7 2.834 3.846 -3.659
66 1HG1 ILE 7 2HG1 ILE 7 2.996 5.331 -1.017
67 2HG1 ILE 7 1HG1 ILE 7 3.764 3.786 -1.363
68 1HG2 ILE 7 1HG2 ILE 7 1.195 5.518 -4.310
69 2HG2 ILE 7 2HG2 ILE 7 2.718 6.306 -3.893
70 3HG2 ILE 7 3HG2 ILE 7 1.369 6.332 -2.756
71 1HD1 ILE 7 1HD1 ILE 7 5.357 5.603 -1.487
72 2HD1 ILE 7 2HD1 ILE 7 4.378 6.406 -2.713
73 3HD1 ILE 7 3HD1 ILE 7 5.143 4.858 -3.071
74 H LEU 8 H LEU 8 -1.051 4.749 -2.600
75 HA LEU 8 HA LEU 8 -1.563 3.649 -5.258
76 1HB LEU 8 2HB LEU 8 -3.699 2.736 -4.749
77 2HB LEU 8 1HB LEU 8 -2.568 2.059 -3.596
78 HG LEU 8 HG LEU 8 -4.501 4.316 -2.999
79 1HD1 LEU 8 1HD1 LEU 8 -5.679 2.221 -3.401
80 2HD1 LEU 8 2HD1 LEU 8 -5.741 2.661 -1.696
81 3HD1 LEU 8 3HD1 LEU 8 -4.637 1.395 -2.240
82 1HD2 LEU 8 1HD2 LEU 8 -3.905 3.891 -0.647
83 2HD2 LEU 8 2HD2 LEU 8 -2.524 4.439 -1.594
84 3HD2 LEU 8 3HD2 LEU 8 -2.681 2.734 -1.175
85 H SER 9 H SER 9 -3.708 4.634 -6.140
86 HA SER 9 HA SER 9 -3.480 7.493 -5.835
87 1HB SER 9 2HB SER 9 -5.079 7.662 -7.642
88 2HB SER 9 1HB SER 9 -3.930 6.388 -8.043
89 HG SER 9 HG SER 9 -5.893 5.532 -8.461
90 H ARG 10 H ARG 10 -5.064 8.934 -5.117
91 HA ARG 10 HA ARG 10 -6.573 8.250 -2.877
92 1HB ARG 10 2HB ARG 10 -5.893 10.560 -3.441
93 2HB ARG 10 1HB ARG 10 -7.036 10.566 -4.776
94 1HG ARG 10 2HG ARG 10 -7.958 11.772 -2.904
95 2HG ARG 10 1HG ARG 10 -8.890 10.299 -3.170
96 1HD ARG 10 2HD ARG 10 -7.685 9.201 -1.337
97 2HD ARG 10 1HD ARG 10 -6.726 10.660 -1.087
98 HE ARG 10 HE ARG 10 -9.409 11.372 -0.884
99 1HH1 ARG 10 1HH1 ARG 10 -7.129 9.426 0.811
100 2HH1 ARG 10 2HH1 ARG 10 -7.915 9.643 2.335
101 1HH2 ARG 10 1HH2 ARG 10 -10.406 11.634 1.071
102 2HH2 ARG 10 2HH2 ARG 10 -9.749 10.866 2.478
103 H ALA 11 H ALA 11 -7.502 8.363 -6.278
104 HA ALA 11 HA ALA 11 -10.259 8.034 -6.069
105 1HB ALA 11 1HB ALA 11 -10.154 7.080 -8.327
106 2HB ALA 11 2HB ALA 11 -8.405 6.902 -8.170
107 3HB ALA 11 3HB ALA 11 -9.131 8.510 -8.179
108 H GLU 12 H GLU 12 -7.732 5.509 -6.256
109 HA GLU 12 HA GLU 12 -9.551 3.341 -5.928
110 1HB GLU 12 2HB GLU 12 -6.572 3.629 -5.857
111 2HB GLU 12 1HB GLU 12 -7.296 2.142 -5.260
112 1HG GLU 12 2HG GLU 12 -7.758 3.292 -8.009
113 2HG GLU 12 1HG GLU 12 -6.592 2.026 -7.625
114 H TRP 13 H TRP 13 -7.524 5.150 -3.623
115 HA TRP 13 HA TRP 13 -7.958 3.438 -1.428
116 1HB TRP 13 2HB TRP 13 -6.152 5.054 -1.398
117 2HB TRP 13 1HB TRP 13 -7.297 6.391 -1.480
118 HD1 TRP 13 HD1 TRP 13 -7.392 7.544 0.791
119 HE1 TRP 13 HE1 TRP 13 -7.426 6.800 3.259
120 HE3 TRP 13 HE3 TRP 13 -6.954 2.495 0.115
121 HZ2 TRP 13 HZ2 TRP 13 -7.299 4.385 4.714
122 HZ3 TRP 13 HZ3 TRP 13 -6.923 1.036 2.098
123 HH2 TRP 13 HH2 TRP 13 -7.091 1.964 4.351
124 H ASP 14 H ASP 14 -9.795 6.265 -2.568
125 HA ASP 14 HA ASP 14 -11.566 6.416 -0.371
126 1HB ASP 14 2HB ASP 14 -11.192 8.034 -2.431
127 2HB ASP 14 1HB ASP 14 -12.494 7.095 -3.148
128 H ALA 15 H ALA 15 -11.745 4.668 -3.450
129 HA ALA 15 HA ALA 15 -14.287 3.497 -3.097
130 1HB ALA 15 1HB ALA 15 -13.631 1.984 -4.892
131 2HB ALA 15 2HB ALA 15 -11.947 2.475 -4.706
132 3HB ALA 15 3HB ALA 15 -13.147 3.640 -5.263
133 H ALA 16 H ALA 16 -11.020 2.224 -2.407
134 HA ALA 16 HA ALA 16 -11.785 -0.255 -1.322
135 1HB ALA 16 1HB ALA 16 -9.470 0.341 -1.941
136 2HB ALA 16 2HB ALA 16 -9.581 -0.327 -0.314
137 3HB ALA 16 3HB ALA 16 -9.387 1.412 -0.542
138 H LYS 17 H LYS 17 -11.377 2.910 0.182
139 HA LYS 17 HA LYS 17 -11.903 2.241 2.851
140 1HB LYS 17 2HB LYS 17 -10.991 4.391 2.274
141 2HB LYS 17 1HB LYS 17 -12.380 4.773 1.270
142 1HG LYS 17 2HG LYS 17 -13.797 4.929 3.236
143 2HG LYS 17 1HG LYS 17 -12.446 4.451 4.269
144 1HD LYS 17 2HD LYS 17 -12.840 6.899 4.270
145 2HD LYS 17 1HD LYS 17 -11.231 6.460 3.698
146 1HE LYS 17 2HE LYS 17 -12.123 8.203 2.287
147 2HE LYS 17 1HE LYS 17 -12.036 6.705 1.365
148 1HZ LYS 17 1HZ LYS 17 -14.425 6.390 1.796
149 2HZ LYS 17 2HZ LYS 17 -14.107 7.812 0.937
150 3HZ LYS 17 3HZ LYS 17 -14.474 7.885 2.586
151 H ALA 18 H ALA 18 -14.118 3.215 0.237
152 HA ALA 18 HA ALA 18 -16.524 3.103 1.699
153 1HB ALA 18 1HB ALA 18 -17.630 2.974 -0.476
154 2HB ALA 18 2HB ALA 18 -16.091 2.586 -1.247
155 3HB ALA 18 3HB ALA 18 -16.331 4.167 -0.502
156 H GLN 19 H GLN 19 -14.750 0.623 -0.081
157 HA GLN 19 HA GLN 19 -16.653 -1.474 0.349
158 1HB GLN 19 2HB GLN 19 -13.711 -1.587 -0.367
159 2HB GLN 19 1HB GLN 19 -14.810 -2.958 -0.414
160 1HG GLN 19 2HG GLN 19 -16.078 -1.970 -2.182
161 2HG GLN 19 1HG GLN 19 -15.167 -0.465 -2.065
162 1HE2 GLN 19 1HE2 GLN 19 -13.048 -0.406 -2.860
163 2HE2 GLN 19 2HE2 GLN 19 -12.438 -1.610 -3.935
164 H GLY 20 H GLY 20 -14.036 -0.128 2.214
165 1HA GLY 20 2HA GLY 20 -13.251 -0.663 4.332
166 2HA GLY 20 1HA GLY 20 -14.436 -1.962 4.413
167 H ARG 21 H ARG 21 -12.736 -2.156 1.553
168 HA ARG 21 HA ARG 21 -10.619 -3.909 2.572
169 1HB ARG 21 2HB ARG 21 -12.831 -4.821 0.705
170 2HB ARG 21 1HB ARG 21 -11.353 -5.727 0.994
171 1HG ARG 21 2HG ARG 21 -11.943 -6.104 3.277
172 2HG ARG 21 1HG ARG 21 -13.314 -4.999 3.163
173 1HD ARG 21 2HD ARG 21 -13.937 -7.419 3.069
174 2HD ARG 21 1HD ARG 21 -14.477 -6.479 1.679
175 HE ARG 21 HE ARG 21 -12.056 -7.532 0.931
176 1HH1 ARG 21 1HH1 ARG 21 -15.042 -8.843 2.044
177 2HH1 ARG 21 2HH1 ARG 21 -14.885 -10.281 1.096
178 1HH2 ARG 21 1HH2 ARG 21 -11.872 -9.358 -0.291
179 2HH2 ARG 21 2HH2 ARG 21 -13.118 -10.560 -0.223
180 H PHE 22 H PHE 22 -8.797 -3.706 1.321
181 HA PHE 22 HA PHE 22 -9.091 -2.705 -1.425
182 1HB PHE 22 2HB PHE 22 -7.428 -1.553 0.079
183 2HB PHE 22 1HB PHE 22 -6.496 -3.049 0.111
184 HD1 PHE 22 HD1 PHE 22 -8.079 -0.765 -2.381
185 HD2 PHE 22 HD2 PHE 22 -4.724 -3.219 -1.426
186 HE1 PHE 22 HE1 PHE 22 -6.994 -0.094 -4.478
187 HE2 PHE 22 HE2 PHE 22 -3.644 -2.547 -3.525
188 HZ PHE 22 HZ PHE 22 -4.773 -0.985 -5.055
189 H GLU 23 H GLU 23 -9.664 -4.420 -2.609
190 HA GLU 23 HA GLU 23 -8.449 -7.016 -2.303
191 1HB GLU 23 2HB GLU 23 -10.328 -5.974 -4.442
192 2HB GLU 23 1HB GLU 23 -9.890 -7.659 -4.197
193 1HG GLU 23 2HG GLU 23 -11.397 -5.921 -2.245
194 2HG GLU 23 1HG GLU 23 -12.096 -7.158 -3.290
195 H GLY 24 H GLY 24 -7.964 -8.048 -4.680
196 1HA GLY 24 2HA GLY 24 -5.459 -6.975 -5.439
197 2HA GLY 24 1HA GLY 24 -6.327 -8.249 -6.277
198 H SER 25 H SER 25 -5.138 -5.146 -6.566
199 HA SER 25 HA SER 25 -7.027 -4.074 -8.446
200 1HB SER 25 2HB SER 25 -5.331 -2.396 -8.909
201 2HB SER 25 1HB SER 25 -5.367 -2.686 -7.169
202 HG SER 25 HG SER 25 -3.406 -3.466 -7.253
203 H ALA 26 H ALA 26 -5.819 -3.377 -10.718
204 HA ALA 26 HA ALA 26 -5.625 -5.625 -12.339
205 1HB ALA 26 1HB ALA 26 -4.640 -4.157 -14.026
206 2HB ALA 26 2HB ALA 26 -4.309 -2.942 -12.791
207 3HB ALA 26 3HB ALA 26 -5.974 -3.351 -13.199
208 H VAL 27 H VAL 27 -3.099 -3.945 -10.536
209 HA VAL 27 HA VAL 27 -0.925 -5.472 -11.650
210 HB VAL 27 HB VAL 27 -0.974 -3.727 -9.177
211 1HG1 VAL 27 1HG1 VAL 27 1.461 -3.596 -9.470
212 2HG1 VAL 27 2HG1 VAL 27 1.358 -4.731 -10.817
213 3HG1 VAL 27 3HG1 VAL 27 0.929 -5.254 -9.189
214 1HG2 VAL 27 1HG2 VAL 27 -0.192 -3.037 -12.015
215 2HG2 VAL 27 2HG2 VAL 27 -0.045 -1.972 -10.616
216 3HG2 VAL 27 3HG2 VAL 27 -1.638 -2.482 -11.172
217 H ASP 28 H ASP 28 -2.636 -5.451 -8.513
218 HA ASP 28 HA ASP 28 -1.115 -7.484 -7.294
219 1HB ASP 28 2HB ASP 28 -4.000 -6.734 -6.759
220 2HB ASP 28 1HB ASP 28 -2.966 -7.675 -5.689
221 H LEU 29 H LEU 29 -4.151 -7.668 -9.173
222 HA LEU 29 HA LEU 29 -4.351 -10.514 -8.996
223 1HB LEU 29 2HB LEU 29 -5.650 -8.545 -10.883
224 2HB LEU 29 1HB LEU 29 -5.994 -10.265 -10.894
225 HG LEU 29 HG LEU 29 -6.526 -8.365 -8.602
226 1HD1 LEU 29 1HD1 LEU 29 -8.405 -9.779 -10.498
227 2HD1 LEU 29 2HD1 LEU 29 -8.078 -8.046 -10.437
228 3HD1 LEU 29 3HD1 LEU 29 -8.889 -8.837 -9.088
229 1HD2 LEU 29 1HD2 LEU 29 -7.099 -11.325 -8.840
230 2HD2 LEU 29 2HD2 LEU 29 -7.628 -10.274 -7.525
231 3HD2 LEU 29 3HD2 LEU 29 -5.909 -10.577 -7.773
232 H ALA 30 H ALA 30 -2.713 -8.332 -11.216
233 HA ALA 30 HA ALA 30 -2.217 -10.027 -13.366
234 1HB ALA 30 1HB ALA 30 -1.597 -7.650 -13.340
235 2HB ALA 30 2HB ALA 30 -0.239 -8.670 -13.816
236 3HB ALA 30 3HB ALA 30 -0.310 -7.999 -12.186
237 H ASP 31 H ASP 31 -0.233 -9.597 -10.422
238 HA ASP 31 HA ASP 31 1.368 -11.934 -10.953
239 1HB ASP 31 2HB ASP 31 0.999 -10.339 -8.402
240 2HB ASP 31 1HB ASP 31 2.235 -11.567 -8.664
241 H GLY 32 H GLY 32 -1.596 -11.287 -9.206
242 1HA GLY 32 2HA GLY 32 -3.185 -13.053 -8.774
243 2HA GLY 32 1HA GLY 32 -1.841 -14.165 -8.564
244 H PHE 33 H PHE 33 -0.672 -11.680 -7.027
245 HA PHE 33 HA PHE 33 -2.122 -11.958 -4.506
246 1HB PHE 33 2HB PHE 33 0.283 -12.221 -3.432
247 2HB PHE 33 1HB PHE 33 -0.601 -13.626 -4.013
248 HD1 PHE 33 HD2 PHE 33 2.016 -11.171 -5.011
249 HD2 PHE 33 HD1 PHE 33 0.326 -15.034 -5.621
250 HE1 PHE 33 HE2 PHE 33 3.883 -11.752 -6.501
251 HE2 PHE 33 HE1 PHE 33 2.195 -15.619 -7.109
252 HZ PHE 33 HZ PHE 33 3.976 -13.978 -7.553
253 H ILE 34 H ILE 34 -1.587 -10.317 -2.930
254 HA ILE 34 HA ILE 34 -1.479 -7.790 -4.231
255 HB ILE 34 HB ILE 34 -1.598 -8.498 -1.297
256 1HG1 ILE 34 2HG1 ILE 34 -3.717 -7.627 -3.286
257 2HG1 ILE 34 1HG1 ILE 34 -3.554 -9.225 -2.564
258 1HG2 ILE 34 1HG2 ILE 34 -1.955 -5.799 -2.608
259 2HG2 ILE 34 2HG2 ILE 34 -0.651 -6.272 -1.519
260 3HG2 ILE 34 3HG2 ILE 34 -2.306 -6.166 -0.919
261 1HD1 ILE 34 1HD1 ILE 34 -5.339 -8.030 -1.499
262 2HD1 ILE 34 2HD1 ILE 34 -4.274 -6.671 -1.142
263 3HD1 ILE 34 3HD1 ILE 34 -4.014 -8.228 -0.352
264 H HIS 35 H HIS 35 0.088 -6.337 -4.440
265 HA HIS 35 HA HIS 35 2.776 -6.829 -3.435
266 1HB HIS 35 2HB HIS 35 1.720 -4.478 -5.038
267 2HB HIS 35 1HB HIS 35 3.411 -4.889 -4.779
268 HD1 HIS 35 HD1 HIS 35 4.467 -6.237 -6.580
269 HD2 HIS 35 HD2 HIS 35 0.321 -6.538 -6.647
270 HE1 HIS 35 HE1 HIS 35 3.923 -7.534 -8.650
271 HE2 HIS 35 HE2 HIS 35 1.412 -7.597 -8.744
272 H LEU 36 H LEU 36 3.850 -5.474 -1.927
273 HA LEU 36 HA LEU 36 2.261 -3.358 -0.642
274 1HB LEU 36 2HB LEU 36 3.688 -5.625 0.733
275 2HB LEU 36 1HB LEU 36 3.249 -4.147 1.574
276 HG LEU 36 HG LEU 36 1.277 -5.997 0.210
277 1HD1 LEU 36 1HD1 LEU 36 0.621 -6.675 2.452
278 2HD1 LEU 36 2HD1 LEU 36 1.888 -5.668 3.146
279 3HD1 LEU 36 3HD1 LEU 36 2.313 -7.062 2.154
280 1HD2 LEU 36 1HD2 LEU 36 0.519 -3.682 0.284
281 2HD2 LEU 36 2HD2 LEU 36 0.865 -3.603 2.012
282 3HD2 LEU 36 3HD2 LEU 36 -0.408 -4.670 1.412
283 H SER 37 H SER 37 5.455 -4.802 -0.168
284 HA SER 37 HA SER 37 7.574 -3.959 -0.201
285 1HB SER 37 2HB SER 37 7.147 -2.701 -2.230
286 2HB SER 37 1HB SER 37 6.308 -1.443 -1.324
287 HG SER 37 HG SER 37 8.159 -0.590 -0.822
288 H ALA 38 H ALA 38 8.961 -2.360 0.922
289 HA ALA 38 HA ALA 38 7.644 -1.282 3.339
290 1HB ALA 38 1HB ALA 38 9.248 -3.062 3.828
291 2HB ALA 38 2HB ALA 38 9.811 -1.516 4.461
292 3HB ALA 38 3HB ALA 38 10.512 -2.170 2.981
293 H GLY 39 H GLY 39 9.155 0.551 4.321
294 1HA GLY 39 2HA GLY 39 8.802 2.858 2.926
295 2HA GLY 39 1HA GLY 39 10.065 2.665 4.125
296 H GLU 40 H GLU 40 11.785 0.918 2.800
297 HA GLU 40 HA GLU 40 13.392 2.592 1.295
298 1HB GLU 40 2HB GLU 40 14.264 0.565 2.291
299 2HB GLU 40 1HB GLU 40 13.229 -0.431 1.274
300 1HG GLU 40 2HG GLU 40 14.457 0.323 -0.711
301 2HG GLU 40 1HG GLU 40 15.500 1.311 0.310
302 H GLN 41 H GLN 41 11.578 -0.167 -0.104
303 HA GLN 41 HA GLN 41 11.979 0.814 -2.769
304 1HB GLN 41 2HB GLN 41 10.228 -1.450 -1.805
305 2HB GLN 41 1HB GLN 41 10.690 -1.144 -3.475
306 1HG GLN 41 2HG GLN 41 13.028 -1.542 -2.916
307 2HG GLN 41 1HG GLN 41 12.588 -1.809 -1.230
308 1HE2 GLN 41 1HE2 GLN 41 10.124 -3.228 -2.014
309 2HE2 GLN 41 2HE2 GLN 41 10.647 -4.791 -2.515
310 H ALA 42 H ALA 42 9.535 1.318 -0.393
311 HA ALA 42 HA ALA 42 7.374 2.053 -2.043
312 1HB ALA 42 1HB ALA 42 6.573 3.351 -0.129
313 2HB ALA 42 2HB ALA 42 8.150 3.193 0.646
314 3HB ALA 42 3HB ALA 42 7.152 1.763 0.378
315 H GLN 43 H GLN 43 9.941 4.121 -0.602
316 HA GLN 43 HA GLN 43 9.271 6.425 -2.123
317 1HB GLN 43 2HB GLN 43 10.534 6.821 -0.170
318 2HB GLN 43 1HB GLN 43 11.747 5.626 -0.606
319 1HG GLN 43 2HG GLN 43 12.782 7.035 -2.134
320 2HG GLN 43 1HG GLN 43 11.354 8.048 -2.326
321 1HE2 GLN 43 1HE2 GLN 43 11.049 9.752 -0.968
322 2HE2 GLN 43 2HE2 GLN 43 12.209 10.254 0.216
323 H GLU 44 H GLU 44 11.516 3.744 -2.731
324 HA GLU 44 HA GLU 44 12.719 4.647 -5.079
325 1HB GLU 44 2HB GLU 44 11.834 1.858 -4.303
326 2HB GLU 44 1HB GLU 44 12.794 2.195 -5.735
327 1HG GLU 44 2HG GLU 44 13.640 2.864 -2.921
328 2HG GLU 44 1HG GLU 44 14.107 1.402 -3.786
329 H THR 45 H THR 45 9.819 2.570 -4.907
330 HA THR 45 HA THR 45 9.038 2.715 -7.567
331 HB THR 45 HB THR 45 7.235 2.481 -5.140
332 HG1 THR 45 HG1 THR 45 8.323 0.664 -4.973
333 1HG2 THR 45 1HG2 THR 45 6.742 1.689 -8.020
334 2HG2 THR 45 2HG2 THR 45 5.942 3.001 -7.153
335 3HG2 THR 45 3HG2 THR 45 5.676 1.328 -6.660
336 H ALA 46 H ALA 46 8.230 4.894 -4.888
337 HA ALA 46 HA ALA 46 6.449 6.585 -6.255
338 1HB ALA 46 1HB ALA 46 6.883 8.194 -4.487
339 2HB ALA 46 2HB ALA 46 8.330 7.312 -4.003
340 3HB ALA 46 3HB ALA 46 6.740 6.573 -3.807
341 H ALA 47 H ALA 47 9.995 6.680 -5.975
342 HA ALA 47 HA ALA 47 10.282 9.165 -7.371
343 1HB ALA 47 1HB ALA 47 11.968 8.417 -5.784
344 2HB ALA 47 2HB ALA 47 12.681 8.647 -7.382
345 3HB ALA 47 3HB ALA 47 12.327 7.018 -6.798
346 H LYS 48 H LYS 48 10.434 5.764 -8.347
347 HA LYS 48 HA LYS 48 11.357 6.317 -11.003
348 1HB LYS 48 2HB LYS 48 10.114 3.783 -9.920
349 2HB LYS 48 1HB LYS 48 11.105 3.946 -11.352
350 1HG LYS 48 2HG LYS 48 13.032 4.556 -9.954
351 2HG LYS 48 1HG LYS 48 12.027 4.360 -8.519
352 1HD LYS 48 2HD LYS 48 11.610 1.965 -9.397
353 2HD LYS 48 1HD LYS 48 13.004 2.257 -10.438
354 1HE LYS 48 2HE LYS 48 12.941 2.343 -7.417
355 2HE LYS 48 1HE LYS 48 13.709 1.114 -8.421
356 1HZ LYS 48 1HZ LYS 48 15.271 2.750 -9.208
357 2HZ LYS 48 2HZ LYS 48 15.291 2.729 -7.518
358 3HZ LYS 48 3HZ LYS 48 14.499 3.976 -8.338
359 H TRP 49 H TRP 49 8.281 4.947 -9.766
360 HA TRP 49 HA TRP 49 7.070 5.232 -12.389
361 1HB TRP 49 2HB TRP 49 5.948 4.118 -9.807
362 2HB TRP 49 1HB TRP 49 5.156 4.036 -11.378
363 HD1 TRP 49 HD1 TRP 49 8.227 2.632 -9.517
364 HE1 TRP 49 HE1 TRP 49 8.935 0.442 -10.663
365 HE3 TRP 49 HE3 TRP 49 5.022 2.723 -13.499
366 HZ2 TRP 49 HZ2 TRP 49 8.228 -1.055 -12.947
367 HZ3 TRP 49 HZ3 TRP 49 5.099 0.871 -15.118
368 HH2 TRP 49 HH2 TRP 49 6.671 -0.979 -14.845
369 H PHE 50 H PHE 50 6.671 6.696 -9.180
370 HA PHE 50 HA PHE 50 4.400 8.284 -10.212
371 1HB PHE 50 2HB PHE 50 5.135 7.630 -7.347
372 2HB PHE 50 1HB PHE 50 3.744 8.585 -7.851
373 HD1 PHE 50 HD2 PHE 50 2.288 7.295 -9.763
374 HD2 PHE 50 HD1 PHE 50 4.684 5.456 -6.751
375 HE1 PHE 50 HE2 PHE 50 0.945 5.241 -9.944
376 HE2 PHE 50 HE1 PHE 50 3.345 3.402 -6.940
377 HZ PHE 50 HZ PHE 50 1.472 3.294 -8.534
378 H ARG 51 H ARG 51 7.049 8.994 -10.792
379 HA ARG 51 HA ARG 51 8.717 10.485 -9.506
380 1HB ARG 51 2HB ARG 51 7.556 11.922 -11.853
381 2HB ARG 51 1HB ARG 51 9.234 11.686 -11.401
382 1HG ARG 51 2HG ARG 51 9.163 9.383 -12.131
383 2HG ARG 51 1HG ARG 51 7.439 9.524 -12.483
384 1HD ARG 51 2HD ARG 51 8.064 11.396 -14.086
385 2HD ARG 51 1HD ARG 51 9.736 10.869 -13.884
386 HE ARG 51 HE ARG 51 8.093 8.676 -14.578
387 1HH1 ARG 51 1HH1 ARG 51 9.532 11.495 -15.948
388 2HH1 ARG 51 2HH1 ARG 51 9.564 10.827 -17.542
389 1HH2 ARG 51 1HH2 ARG 51 8.129 7.842 -16.629
390 2HH2 ARG 51 2HH2 ARG 51 8.762 8.793 -17.926
391 H GLY 52 H GLY 52 5.676 12.010 -10.512
392 1HA GLY 52 2HA GLY 52 5.625 13.607 -8.082
393 2HA GLY 52 1HA GLY 52 5.798 14.523 -9.572
394 H GLN 53 H GLN 53 3.820 11.681 -8.680
395 HA GLN 53 HA GLN 53 1.551 12.719 -10.135
396 1HB GLN 53 2HB GLN 53 1.737 10.320 -8.302
397 2HB GLN 53 1HB GLN 53 0.386 10.689 -9.362
398 1HG GLN 53 2HG GLN 53 3.193 10.006 -10.220
399 2HG GLN 53 1HG GLN 53 1.786 8.950 -10.306
400 1HE2 GLN 53 1HE2 GLN 53 3.484 9.732 -12.462
401 2HE2 GLN 53 2HE2 GLN 53 2.497 10.567 -13.600
402 H ALA 54 H ALA 54 -0.026 14.015 -9.361
403 HA ALA 54 HA ALA 54 -0.069 14.605 -6.497
404 1HB ALA 54 1HB ALA 54 -1.429 16.538 -7.081
405 2HB ALA 54 2HB ALA 54 -1.525 15.987 -8.753
406 3HB ALA 54 3HB ALA 54 0.027 16.480 -8.075
407 H ASN 55 H ASN 55 -0.980 12.320 -6.274
408 HA ASN 55 HA ASN 55 -3.630 12.568 -5.335
409 1HB ASN 55 2HB ASN 55 -4.740 10.876 -6.805
410 2HB ASN 55 1HB ASN 55 -4.343 12.375 -7.637
411 1HD2 ASN 55 1HD2 ASN 55 -2.871 12.344 -9.288
412 2HD2 ASN 55 2HD2 ASN 55 -2.225 10.887 -9.948
413 H LEU 56 H LEU 56 -0.907 11.537 -4.647
414 HA LEU 56 HA LEU 56 -1.193 8.658 -4.470
415 1HB LEU 56 2HB LEU 56 0.999 10.409 -3.354
416 2HB LEU 56 1HB LEU 56 1.055 8.671 -3.573
417 HG LEU 56 HG LEU 56 1.024 10.773 -5.741
418 1HD1 LEU 56 1HD1 LEU 56 3.219 9.903 -6.302
419 2HD1 LEU 56 2HD1 LEU 56 3.109 8.727 -4.991
420 3HD1 LEU 56 3HD1 LEU 56 3.178 10.451 -4.625
421 1HD2 LEU 56 1HD2 LEU 56 0.911 7.769 -6.004
422 2HD2 LEU 56 2HD2 LEU 56 1.200 8.899 -7.327
423 3HD2 LEU 56 3HD2 LEU 56 -0.340 8.923 -6.471
424 H VAL 57 H VAL 57 -1.567 7.465 -2.682
425 HA VAL 57 HA VAL 57 -1.839 8.847 -0.086
426 HB VAL 57 HB VAL 57 -3.473 6.491 -1.074
427 1HG1 VAL 57 1HG1 VAL 57 -4.721 6.734 1.038
428 2HG1 VAL 57 2HG1 VAL 57 -3.582 7.976 1.559
429 3HG1 VAL 57 3HG1 VAL 57 -3.030 6.319 1.316
430 1HG2 VAL 57 1HG2 VAL 57 -5.386 8.031 -0.964
431 2HG2 VAL 57 2HG2 VAL 57 -4.169 8.590 -2.111
432 3HG2 VAL 57 3HG2 VAL 57 -4.298 9.347 -0.522
433 H LEU 58 H LEU 58 -0.601 8.068 1.511
434 HA LEU 58 HA LEU 58 0.998 5.668 0.996
435 1HB LEU 58 2HB LEU 58 2.148 7.763 1.616
436 2HB LEU 58 1HB LEU 58 1.276 7.788 3.138
437 HG LEU 58 HG LEU 58 2.399 5.679 3.801
438 1HD1 LEU 58 1HD1 LEU 58 2.806 4.746 1.591
439 2HD1 LEU 58 2HD1 LEU 58 4.311 4.867 2.500
440 3HD1 LEU 58 3HD1 LEU 58 3.949 6.041 1.234
441 1HD2 LEU 58 1HD2 LEU 58 3.323 7.837 4.485
442 2HD2 LEU 58 2HD2 LEU 58 4.280 7.908 3.005
443 3HD2 LEU 58 3HD2 LEU 58 4.606 6.659 4.208
444 H LEU 59 H LEU 59 0.171 3.797 1.738
445 HA LEU 59 HA LEU 59 -1.427 3.749 4.184
446 1HB LEU 59 2HB LEU 59 -0.661 1.481 2.337
447 2HB LEU 59 1HB LEU 59 -1.798 1.383 3.668
448 HG LEU 59 HG LEU 59 -2.143 2.974 1.122
449 1HD1 LEU 59 1HD1 LEU 59 -4.013 1.433 0.717
450 2HD1 LEU 59 2HD1 LEU 59 -3.587 0.539 2.178
451 3HD1 LEU 59 3HD1 LEU 59 -2.468 0.587 0.814
452 1HD2 LEU 59 1HD2 LEU 59 -4.369 3.551 1.963
453 2HD2 LEU 59 2HD2 LEU 59 -3.108 4.185 3.020
454 3HD2 LEU 59 3HD2 LEU 59 -4.010 2.744 3.490
455 H ALA 60 H ALA 60 -0.283 3.818 6.008
456 HA ALA 60 HA ALA 60 2.327 2.509 6.206
457 1HB ALA 60 1HB ALA 60 0.921 4.355 8.145
458 2HB ALA 60 2HB ALA 60 2.149 4.822 6.969
459 3HB ALA 60 3HB ALA 60 2.571 3.750 8.303
460 H VAL 61 H VAL 61 2.343 0.439 6.833
461 HA VAL 61 HA VAL 61 0.555 -0.392 9.038
462 HB VAL 61 HB VAL 61 1.293 -2.179 6.705
463 1HG1 VAL 61 1HG1 VAL 61 -0.477 -3.635 7.575
464 2HG1 VAL 61 2HG1 VAL 61 -0.752 -2.508 8.903
465 3HG1 VAL 61 3HG1 VAL 61 0.786 -3.363 8.777
466 1HG2 VAL 61 1HG2 VAL 61 -0.106 -0.391 5.848
467 2HG2 VAL 61 2HG2 VAL 61 -1.272 -0.645 7.144
468 3HG2 VAL 61 3HG2 VAL 61 -1.033 -1.890 5.918
469 H GLU 62 H GLU 62 1.551 -1.537 10.664
470 HA GLU 62 HA GLU 62 4.388 -2.023 10.513
471 1HB GLU 62 2HB GLU 62 4.120 -3.008 12.784
472 2HB GLU 62 1HB GLU 62 3.481 -1.378 12.650
473 1HG GLU 62 2HG GLU 62 1.206 -2.326 12.436
474 2HG GLU 62 1HG GLU 62 1.882 -3.935 12.687
475 H ALA 63 H ALA 63 5.450 -3.943 10.157
476 HA ALA 63 HA ALA 63 4.293 -5.701 8.355
477 1HB ALA 63 1HB ALA 63 6.714 -6.233 10.069
478 2HB ALA 63 2HB ALA 63 6.703 -5.338 8.550
479 3HB ALA 63 3HB ALA 63 6.297 -7.054 8.565
480 H GLU 64 H GLU 64 5.495 -6.901 11.506
481 HA GLU 64 HA GLU 64 4.771 -8.528 12.910
482 1HB GLU 64 2HB GLU 64 2.079 -7.598 11.886
483 2HB GLU 64 1HB GLU 64 2.288 -8.696 13.246
484 1HG GLU 64 2HG GLU 64 3.345 -5.871 13.103
485 2HG GLU 64 1HG GLU 64 1.878 -6.373 13.942
486 HA PRO 65 HA PRO 65 4.026 -12.454 10.805
487 1HB PRO 65 2HB PRO 65 2.232 -13.115 13.092
488 2HB PRO 65 1HB PRO 65 3.613 -14.014 12.451
489 1HG PRO 65 2HG PRO 65 3.811 -12.669 14.748
490 2HG PRO 65 1HG PRO 65 5.161 -12.710 13.596
491 1HD PRO 65 2HD PRO 65 3.188 -10.512 14.129
492 2HD PRO 65 1HD PRO 65 4.930 -10.413 13.792
493 H LEU 66 H LEU 66 1.082 -11.552 12.601
494 HA LEU 66 HA LEU 66 -1.126 -11.748 12.044
495 1HB LEU 66 2HB LEU 66 -1.772 -9.953 10.396
496 2HB LEU 66 1HB LEU 66 -0.835 -9.459 11.787
497 HG LEU 66 HG LEU 66 1.206 -9.440 10.287
498 1HD1 LEU 66 1HD1 LEU 66 0.408 -10.852 8.477
499 2HD1 LEU 66 2HD1 LEU 66 0.836 -9.255 7.868
500 3HD1 LEU 66 3HD1 LEU 66 -0.859 -9.685 8.099
501 1HD2 LEU 66 1HD2 LEU 66 -1.069 -7.570 9.623
502 2HD2 LEU 66 2HD2 LEU 66 0.636 -7.274 9.280
503 3HD2 LEU 66 3HD2 LEU 66 0.082 -7.394 10.950
504 H GLY 67 H GLY 67 0.224 -13.895 10.714
505 1HA GLY 67 2HA GLY 67 -0.954 -15.544 9.405
506 2HA GLY 67 1HA GLY 67 -1.634 -14.243 8.442
507 H GLU 68 H GLU 68 0.443 -16.714 8.278
508 HA GLU 68 HA GLU 68 2.823 -15.671 7.214
509 1HB GLU 68 2HB GLU 68 1.524 -18.373 6.851
510 2HB GLU 68 1HB GLU 68 3.130 -17.986 6.253
511 1HG GLU 68 2HG GLU 68 3.353 -19.157 8.322
512 2HG GLU 68 1HG GLU 68 3.835 -17.483 8.579
513 H ASP 69 H ASP 69 -0.186 -15.413 5.831
514 HA ASP 69 HA ASP 69 0.299 -15.818 3.098
515 1HB ASP 69 2HB ASP 69 -1.511 -13.801 4.453
516 2HB ASP 69 1HB ASP 69 -1.556 -14.191 2.736
517 H LEU 70 H LEU 70 1.312 -13.250 5.242
518 HA LEU 70 HA LEU 70 2.281 -11.574 3.069
519 1HB LEU 70 2HB LEU 70 1.453 -10.516 5.105
520 2HB LEU 70 1HB LEU 70 2.634 -11.384 6.070
521 HG LEU 70 HG LEU 70 4.456 -10.136 5.006
522 1HD1 LEU 70 1HD1 LEU 70 3.971 -8.253 3.502
523 2HD1 LEU 70 2HD1 LEU 70 2.270 -8.720 3.476
524 3HD1 LEU 70 3HD1 LEU 70 3.491 -9.799 2.803
525 1HD2 LEU 70 1HD2 LEU 70 2.260 -8.343 6.055
526 2HD2 LEU 70 2HD2 LEU 70 3.970 -7.924 5.945
527 3HD2 LEU 70 3HD2 LEU 70 3.448 -9.215 7.026
528 H LYS 71 H LYS 71 4.004 -12.318 1.964
529 HA LYS 71 HA LYS 71 6.222 -13.569 3.470
530 1HB LYS 71 2HB LYS 71 4.940 -15.272 2.291
531 2HB LYS 71 1HB LYS 71 5.085 -14.378 0.784
532 1HG LYS 71 2HG LYS 71 7.562 -14.707 0.917
533 2HG LYS 71 1HG LYS 71 7.289 -15.762 2.307
534 1HD LYS 71 2HD LYS 71 5.981 -17.280 0.963
535 2HD LYS 71 1HD LYS 71 6.048 -16.183 -0.415
536 1HE LYS 71 2HE LYS 71 8.563 -16.463 -0.357
537 2HE LYS 71 1HE LYS 71 8.304 -17.771 0.800
538 1HZ LYS 71 1HZ LYS 71 8.485 -18.632 -1.434
539 2HZ LYS 71 2HZ LYS 71 7.223 -17.639 -1.965
540 3HZ LYS 71 3HZ LYS 71 6.917 -18.883 -0.855
541 H TRP 72 H TRP 72 8.185 -12.667 3.147
542 HA TRP 72 HA TRP 72 8.528 -10.539 1.221
543 1HB TRP 72 2HB TRP 72 10.411 -11.815 3.218
544 2HB TRP 72 1HB TRP 72 10.884 -10.493 2.156
545 HD1 TRP 72 HD1 TRP 72 8.473 -11.230 5.083
546 HE1 TRP 72 HE1 TRP 72 7.954 -9.005 6.270
547 HE3 TRP 72 HE3 TRP 72 10.879 -8.032 1.899
548 HZ2 TRP 72 HZ2 TRP 72 8.491 -6.263 5.902
549 HZ3 TRP 72 HZ3 TRP 72 10.829 -5.621 2.389
550 HH2 TRP 72 HH2 TRP 72 9.659 -4.755 4.350
551 H GLU 73 H GLU 73 8.738 -11.121 -0.886
552 HA GLU 73 HA GLU 73 10.626 -13.301 -1.540
553 1HB GLU 73 2HB GLU 73 8.171 -12.437 -3.090
554 2HB GLU 73 1HB GLU 73 9.285 -13.711 -3.570
555 1HG GLU 73 2HG GLU 73 8.712 -14.931 -1.484
556 2HG GLU 73 1HG GLU 73 7.510 -13.694 -1.135
557 H ALA 74 H ALA 74 12.295 -12.855 -2.842
558 HA ALA 74 HA ALA 74 12.582 -10.125 -3.870
559 1HB ALA 74 1HB ALA 74 14.952 -10.675 -4.130
560 2HB ALA 74 2HB ALA 74 14.627 -12.339 -3.642
561 3HB ALA 74 3HB ALA 74 14.396 -11.022 -2.491
562 H SER 75 H SER 75 12.052 -9.727 -5.934
563 HA SER 75 HA SER 75 11.535 -11.875 -7.775
564 1HB SER 75 2HB SER 75 10.138 -9.823 -7.708
565 2HB SER 75 1HB SER 75 11.512 -8.892 -8.308
566 HG SER 75 HG SER 75 10.682 -9.400 -10.180
567 H ARG 76 H ARG 76 12.288 -11.521 -10.146
568 HA ARG 76 HA ARG 76 15.067 -12.040 -10.219
569 1HB ARG 76 2HB ARG 76 13.036 -11.563 -12.406
570 2HB ARG 76 1HB ARG 76 14.719 -11.957 -12.744
571 1HG ARG 76 2HG ARG 76 12.902 -13.685 -11.066
572 2HG ARG 76 1HG ARG 76 13.138 -13.901 -12.801
573 1HD ARG 76 2HD ARG 76 15.395 -13.926 -10.791
574 2HD ARG 76 1HD ARG 76 14.552 -15.379 -11.327
575 HE ARG 76 HE ARG 76 15.432 -15.043 -13.511
576 1HH1 ARG 76 1HH1 ARG 76 16.800 -12.945 -11.124
577 2HH1 ARG 76 2HH1 ARG 76 18.142 -12.517 -12.127
578 1HH2 ARG 76 1HH2 ARG 76 17.175 -14.504 -14.756
579 2HH2 ARG 76 2HH2 ARG 76 18.348 -13.380 -14.150
580 H GLY 77 H GLY 77 16.380 -10.441 -9.592
581 1HA GLY 77 2HA GLY 77 17.519 -8.541 -11.023
582 2HA GLY 77 1HA GLY 77 16.025 -7.713 -10.607
583 H GLY 78 H GLY 78 15.826 -8.934 -7.965
584 1HA GLY 78 2HA GLY 78 17.519 -9.005 -6.064
585 2HA GLY 78 1HA GLY 78 17.972 -7.401 -6.615
586 H ALA 79 H ALA 79 15.112 -6.736 -7.197
587 HA ALA 79 HA ALA 79 14.489 -5.388 -4.837
588 1HB ALA 79 1HB ALA 79 12.367 -4.850 -5.871
589 2HB ALA 79 2HB ALA 79 12.573 -6.159 -7.038
590 3HB ALA 79 3HB ALA 79 13.659 -4.769 -7.069
591 H ARG 80 H ARG 80 13.609 -5.978 -2.976
592 HA ARG 80 HA ARG 80 12.457 -8.667 -2.689
593 1HB ARG 80 2HB ARG 80 13.365 -6.677 -0.593
594 2HB ARG 80 1HB ARG 80 12.829 -8.324 -0.280
595 1HG ARG 80 2HG ARG 80 14.750 -9.262 -1.218
596 2HG ARG 80 1HG ARG 80 15.162 -7.783 -2.090
597 1HD ARG 80 2HD ARG 80 15.242 -8.144 0.912
598 2HD ARG 80 1HD ARG 80 16.642 -8.139 -0.163
599 HE ARG 80 HE ARG 80 15.460 -5.769 -0.697
600 1HH1 ARG 80 1HH1 ARG 80 16.471 -7.274 2.238
601 2HH1 ARG 80 2HH1 ARG 80 16.794 -5.763 3.016
602 1HH2 ARG 80 1HH2 ARG 80 15.852 -3.847 0.317
603 2HH2 ARG 80 2HH2 ARG 80 16.436 -3.846 1.942
604 H PHE 81 H PHE 81 10.301 -8.476 -3.280
605 HA PHE 81 HA PHE 81 8.705 -6.369 -1.970
606 1HB PHE 81 2HB PHE 81 8.168 -8.025 -4.443
607 2HB PHE 81 1HB PHE 81 6.949 -7.005 -3.688
608 HD1 PHE 81 HD1 PHE 81 7.626 -4.502 -3.332
609 HD2 PHE 81 HD2 PHE 81 9.512 -7.125 -6.114
610 HE1 PHE 81 HE1 PHE 81 8.421 -2.563 -4.622
611 HE2 PHE 81 HE2 PHE 81 10.310 -5.187 -7.400
612 HZ PHE 81 HZ PHE 81 9.764 -2.901 -6.653
613 HA PRO 82 HA PRO 82 7.023 -9.730 0.603
614 1HB PRO 82 2HB PRO 82 5.439 -8.031 2.087
615 2HB PRO 82 1HB PRO 82 7.126 -8.394 2.463
616 1HG PRO 82 2HG PRO 82 5.965 -6.024 1.054
617 2HG PRO 82 1HG PRO 82 7.281 -6.089 2.240
618 1HD PRO 82 2HD PRO 82 7.743 -5.830 -0.410
619 2HD PRO 82 1HD PRO 82 8.845 -6.725 0.657
620 H HIS 83 H HIS 83 5.632 -10.868 -0.644
621 HA HIS 83 HA HIS 83 3.321 -9.571 -1.862
622 1HB HIS 83 2HB HIS 83 4.345 -12.414 -2.085
623 2HB HIS 83 1HB HIS 83 2.979 -11.759 -2.982
624 HD1 HIS 83 HD1 HIS 83 6.148 -12.697 -3.767
625 HD2 HIS 83 HD2 HIS 83 4.188 -9.066 -4.213
626 HE1 HIS 83 HE1 HIS 83 7.388 -11.490 -5.577
627 HE2 HIS 83 HE2 HIS 83 6.042 -9.410 -5.986
628 H LEU 84 H LEU 84 1.353 -9.601 -1.009
629 HA LEU 84 HA LEU 84 0.798 -11.319 1.298
630 1HB LEU 84 2HB LEU 84 0.227 -8.650 0.752
631 2HB LEU 84 1HB LEU 84 -1.311 -9.447 0.496
632 HG LEU 84 HG LEU 84 0.326 -9.428 3.038
633 1HD1 LEU 84 1HD1 LEU 84 -1.605 -8.281 3.980
634 2HD1 LEU 84 2HD1 LEU 84 -2.422 -8.343 2.417
635 3HD1 LEU 84 3HD1 LEU 84 -0.949 -7.389 2.607
636 1HD2 LEU 84 1HD2 LEU 84 -1.478 -10.750 4.044
637 2HD2 LEU 84 2HD2 LEU 84 -0.654 -11.637 2.763
638 3HD2 LEU 84 3HD2 LEU 84 -2.236 -10.917 2.459
639 H TYR 85 H TYR 85 -0.071 -13.252 0.829
640 HA TYR 85 HA TYR 85 -1.572 -13.743 -1.583
641 1HB TYR 85 2HB TYR 85 -1.182 -15.557 0.811
642 2HB TYR 85 1HB TYR 85 -1.742 -16.042 -0.784
643 HD1 TYR 85 HD1 TYR 85 -0.028 -15.330 -2.755
644 HD2 TYR 85 HD2 TYR 85 1.029 -15.992 1.317
645 HE1 TYR 85 HE1 TYR 85 2.295 -15.788 -3.434
646 HE2 TYR 85 HE2 TYR 85 3.347 -16.447 0.647
647 HH TYR 85 HH TYR 85 4.572 -15.721 -2.408
648 H ARG 86 H ARG 86 -2.489 -12.145 1.062
649 HA ARG 86 HA ARG 86 -5.241 -13.230 1.134
650 1HB ARG 86 2HB ARG 86 -3.936 -13.501 3.253
651 2HB ARG 86 1HB ARG 86 -3.737 -11.759 3.324
652 1HG ARG 86 2HG ARG 86 -5.476 -12.160 4.801
653 2HG ARG 86 1HG ARG 86 -6.315 -11.674 3.328
654 1HD ARG 86 2HD ARG 86 -7.410 -13.604 4.313
655 2HD ARG 86 1HD ARG 86 -6.675 -14.048 2.770
656 HE ARG 86 HE ARG 86 -4.746 -14.796 4.381
657 1HH1 ARG 86 1HH1 ARG 86 -8.142 -15.200 4.853
658 2HH1 ARG 86 2HH1 ARG 86 -7.935 -16.616 5.823
659 1HH2 ARG 86 1HH2 ARG 86 -4.500 -16.596 5.590
660 2HH2 ARG 86 2HH2 ARG 86 -5.889 -17.411 6.229
661 HA PRO 87 HA PRO 87 -6.655 -9.171 -0.382
662 1HB PRO 87 2HB PRO 87 -8.935 -9.776 1.467
663 2HB PRO 87 1HB PRO 87 -8.965 -9.240 -0.219
664 1HG PRO 87 2HG PRO 87 -9.472 -11.776 0.375
665 2HG PRO 87 1HG PRO 87 -8.479 -11.373 -1.039
666 1HD PRO 87 2HD PRO 87 -7.632 -12.401 1.643
667 2HD PRO 87 1HD PRO 87 -6.996 -12.793 0.032
668 H LEU 88 H LEU 88 -6.492 -7.063 0.406
669 HA LEU 88 HA LEU 88 -5.443 -6.880 3.123
670 1HB LEU 88 2HB LEU 88 -4.309 -5.907 1.053
671 2HB LEU 88 1HB LEU 88 -5.553 -4.673 1.062
672 HG LEU 88 HG LEU 88 -3.698 -5.146 3.410
673 1HD1 LEU 88 1HD1 LEU 88 -2.361 -4.597 1.445
674 2HD1 LEU 88 2HD1 LEU 88 -2.376 -3.265 2.599
675 3HD1 LEU 88 3HD1 LEU 88 -3.368 -3.181 1.142
676 1HD2 LEU 88 1HD2 LEU 88 -5.426 -2.787 2.634
677 2HD2 LEU 88 2HD2 LEU 88 -4.324 -2.844 4.011
678 3HD2 LEU 88 3HD2 LEU 88 -5.726 -3.909 3.961
679 H LEU 89 H LEU 89 -6.955 -6.631 4.657
680 HA LEU 89 HA LEU 89 -9.382 -5.117 4.227
681 1HB LEU 89 2HB LEU 89 -8.257 -6.149 6.839
682 2HB LEU 89 1HB LEU 89 -9.916 -5.683 6.517
683 HG LEU 89 HG LEU 89 -8.490 -8.077 5.329
684 1HD1 LEU 89 1HD1 LEU 89 -10.046 -9.395 6.699
685 2HD1 LEU 89 2HD1 LEU 89 -10.650 -7.908 7.431
686 3HD1 LEU 89 3HD1 LEU 89 -8.973 -8.397 7.681
687 1HD2 LEU 89 1HD2 LEU 89 -10.674 -8.698 4.419
688 2HD2 LEU 89 2HD2 LEU 89 -10.129 -7.151 3.771
689 3HD2 LEU 89 3HD2 LEU 89 -11.365 -7.193 5.029
690 H VAL 90 H VAL 90 -9.717 -2.944 4.745
691 HA VAL 90 HA VAL 90 -7.468 -1.301 5.147
692 HB VAL 90 HB VAL 90 -8.994 0.538 5.232
693 1HG1 VAL 90 1HG1 VAL 90 -8.630 -0.430 3.056
694 2HG1 VAL 90 2HG1 VAL 90 -10.290 0.156 3.174
695 3HG1 VAL 90 3HG1 VAL 90 -9.949 -1.571 3.314
696 1HG2 VAL 90 1HG2 VAL 90 -11.183 -1.487 5.654
697 2HG2 VAL 90 2HG2 VAL 90 -11.444 0.226 5.330
698 3HG2 VAL 90 3HG2 VAL 90 -10.631 -0.277 6.810
699 H SER 91 H SER 91 -9.618 -2.846 7.380
700 HA SER 91 HA SER 91 -9.083 -1.276 9.681
701 1HB SER 91 2HB SER 91 -9.853 -4.201 9.477
702 2HB SER 91 1HB SER 91 -9.896 -3.244 10.959
703 HG SER 91 HG SER 91 -11.948 -3.333 9.967
704 H GLU 92 H GLU 92 -7.111 -3.451 7.938
705 HA GLU 92 HA GLU 92 -5.392 -4.195 10.152
706 1HB GLU 92 2HB GLU 92 -4.973 -4.489 7.164
707 2HB GLU 92 1HB GLU 92 -3.957 -5.202 8.406
708 1HG GLU 92 2HG GLU 92 -6.870 -5.835 7.970
709 2HG GLU 92 1HG GLU 92 -5.519 -6.809 7.398
710 H VAL 93 H VAL 93 -5.680 -1.496 8.066
711 HA VAL 93 HA VAL 93 -2.924 -0.779 7.876
712 HB VAL 93 HB VAL 93 -5.361 0.987 7.525
713 1HG1 VAL 93 1HG1 VAL 93 -2.500 1.375 6.625
714 2HG1 VAL 93 2HG1 VAL 93 -3.350 2.307 7.859
715 3HG1 VAL 93 3HG1 VAL 93 -3.860 2.404 6.174
716 1HG2 VAL 93 1HG2 VAL 93 -5.441 -0.927 6.021
717 2HG2 VAL 93 2HG2 VAL 93 -3.792 -0.607 5.485
718 3HG2 VAL 93 3HG2 VAL 93 -5.079 0.540 5.113
719 H THR 94 H THR 94 -1.670 -0.071 9.478
720 HA THR 94 HA THR 94 -2.546 0.690 12.033
721 HB THR 94 HB THR 94 0.098 1.401 10.728
722 HG1 THR 94 HG1 THR 94 -0.408 -0.835 12.411
723 1HG2 THR 94 1HG2 THR 94 -0.287 2.632 12.810
724 2HG2 THR 94 2HG2 THR 94 0.964 1.407 13.034
725 3HG2 THR 94 3HG2 THR 94 -0.666 1.125 13.644
726 H ARG 95 H ARG 95 -1.403 2.717 9.324
727 HA ARG 95 HA ARG 95 -3.261 4.804 10.043
728 1HB ARG 95 2HB ARG 95 -1.305 5.295 11.521
729 2HB ARG 95 1HB ARG 95 -0.300 5.456 10.085
730 1HG ARG 95 2HG ARG 95 -1.738 7.323 9.326
731 2HG ARG 95 1HG ARG 95 -2.665 7.185 10.821
732 1HD ARG 95 2HD ARG 95 0.257 7.907 10.551
733 2HD ARG 95 1HD ARG 95 -1.061 8.977 11.029
734 HE ARG 95 HE ARG 95 -1.064 6.893 12.839
735 1HH1 ARG 95 1HH1 ARG 95 1.069 9.437 11.892
736 2HH1 ARG 95 2HH1 ARG 95 1.886 9.452 13.420
737 1HH2 ARG 95 1HH2 ARG 95 -0.017 6.952 14.794
738 2HH2 ARG 95 2HH2 ARG 95 1.272 8.085 15.035
739 H GLU 96 H GLU 96 -3.626 6.269 8.334
740 HA GLU 96 HA GLU 96 -2.033 5.889 5.889
741 1HB GLU 96 2HB GLU 96 -4.202 6.030 4.570
742 2HB GLU 96 1HB GLU 96 -3.911 4.529 5.434
743 1HG GLU 96 2HG GLU 96 -6.171 4.985 5.778
744 2HG GLU 96 1HG GLU 96 -5.387 5.471 7.275
745 H ALA 97 H ALA 97 -2.073 7.670 4.400
746 HA ALA 97 HA ALA 97 -3.487 10.089 4.999
747 1HB ALA 97 1HB ALA 97 -0.509 10.110 5.522
748 2HB ALA 97 2HB ALA 97 -1.768 10.214 6.754
749 3HB ALA 97 3HB ALA 97 -1.586 11.507 5.569
750 H ASP 98 H ASP 98 -3.322 11.646 3.359
751 HA ASP 98 HA ASP 98 -2.503 10.761 0.797
752 1HB ASP 98 2HB ASP 98 -2.945 13.181 0.137
753 2HB ASP 98 1HB ASP 98 -4.290 12.315 0.867
754 H LEU 99 H LEU 99 -0.594 10.833 -0.176
755 HA LEU 99 HA LEU 99 1.715 11.678 1.328
756 1HB LEU 99 2HB LEU 99 1.679 9.563 0.087
757 2HB LEU 99 1HB LEU 99 1.464 10.436 -1.419
758 HG LEU 99 HG LEU 99 3.704 11.437 -1.159
759 1HD1 LEU 99 1HD1 LEU 99 3.926 9.682 1.292
760 2HD1 LEU 99 2HD1 LEU 99 3.842 11.445 1.281
761 3HD1 LEU 99 3HD1 LEU 99 5.231 10.625 0.569
762 1HD2 LEU 99 1HD2 LEU 99 3.685 8.423 -0.940
763 2HD2 LEU 99 2HD2 LEU 99 4.986 9.410 -1.608
764 3HD2 LEU 99 3HD2 LEU 99 3.420 9.355 -2.414
765 H ASP 100 H ASP 100 2.870 13.513 1.082
766 HA ASP 100 HA ASP 100 1.995 15.446 -0.923
767 1HB ASP 100 2HB ASP 100 2.212 16.032 1.531
768 2HB ASP 100 1HB ASP 100 3.957 15.879 1.342
769 H LEU 101 H LEU 101 3.591 16.712 -2.142
770 HA LEU 101 HA LEU 101 5.731 14.947 -3.133
771 1HB LEU 101 2HB LEU 101 4.477 17.367 -4.441
772 2HB LEU 101 1HB LEU 101 5.641 16.282 -5.180
773 HG LEU 101 HG LEU 101 2.809 15.586 -4.371
774 1HD1 LEU 101 1HD1 LEU 101 2.929 16.976 -6.364
775 2HD1 LEU 101 2HD1 LEU 101 2.447 15.332 -6.783
776 3HD1 LEU 101 3HD1 LEU 101 4.100 15.873 -7.086
777 1HD2 LEU 101 1HD2 LEU 101 3.246 13.415 -5.458
778 2HD2 LEU 101 2HD2 LEU 101 4.253 13.663 -4.033
779 3HD2 LEU 101 3HD2 LEU 101 4.943 13.862 -5.644
780 H ASP 102 H ASP 102 7.607 16.242 -4.190
781 HA ASP 102 HA ASP 102 8.678 18.102 -2.177
782 1HB ASP 102 2HB ASP 102 10.013 16.114 -2.634
783 2HB ASP 102 1HB ASP 102 10.026 16.484 -4.353
784 H ALA 103 H ALA 103 10.259 19.789 -3.148
785 HA ALA 103 HA ALA 103 8.995 21.668 -4.743
786 1HB ALA 103 1HB ALA 103 10.943 22.172 -3.360
787 2HB ALA 103 2HB ALA 103 11.205 22.704 -5.021
788 3HB ALA 103 3HB ALA 103 11.968 21.225 -4.436
789 H ASP 104 H ASP 104 11.023 18.948 -5.746
790 HA ASP 104 HA ASP 104 10.860 19.655 -8.561
791 1HB ASP 104 2HB ASP 104 12.873 18.543 -7.671
792 2HB ASP 104 1HB ASP 104 11.905 17.147 -7.205
793 H GLY 105 H GLY 105 9.148 17.703 -6.267
794 1HA GLY 105 2HA GLY 105 6.843 17.052 -6.958
795 2HA GLY 105 1HA GLY 105 7.584 16.433 -8.425
796 H VAL 106 H VAL 106 9.913 15.480 -6.722
797 HA VAL 106 HA VAL 106 9.180 12.789 -6.586
798 HB VAL 106 HB VAL 106 11.458 14.123 -5.102
799 1HG1 VAL 106 1HG1 VAL 106 11.029 11.848 -4.318
800 2HG1 VAL 106 2HG1 VAL 106 12.544 11.927 -5.214
801 3HG1 VAL 106 3HG1 VAL 106 11.105 11.249 -5.976
802 1HG2 VAL 106 1HG2 VAL 106 11.528 14.679 -7.476
803 2HG2 VAL 106 2HG2 VAL 106 11.389 12.972 -7.900
804 3HG2 VAL 106 3HG2 VAL 106 12.829 13.560 -7.067
805 HA PRO 107 HA PRO 107 6.856 12.753 -2.691
806 1HB PRO 107 2HB PRO 107 7.178 9.817 -3.090
807 2HB PRO 107 1HB PRO 107 5.715 10.764 -2.797
808 1HG PRO 107 2HG PRO 107 6.226 9.786 -5.219
809 2HG PRO 107 1HG PRO 107 5.523 11.403 -5.025
810 1HD PRO 107 2HD PRO 107 8.356 10.629 -5.637
811 2HD PRO 107 1HD PRO 107 7.375 11.945 -6.319
812 H GLN 108 H GLN 108 8.057 13.275 -0.946
813 HA GLN 108 HA GLN 108 10.550 11.880 -0.390
814 1HB GLN 108 2HB GLN 108 9.295 14.295 0.933
815 2HB GLN 108 1HB GLN 108 10.887 13.650 1.319
816 1HG GLN 108 2HG GLN 108 10.017 14.781 -1.337
817 2HG GLN 108 1HG GLN 108 11.058 15.572 -0.154
818 1HE2 GLN 108 1HE2 GLN 108 11.545 14.798 -2.954
819 2HE2 GLN 108 2HE2 GLN 108 12.964 13.816 -2.923
820 H LEU 109 H LEU 109 9.693 9.843 0.280
821 HA LEU 109 HA LEU 109 8.116 9.701 2.694
822 1HB LEU 109 2HB LEU 109 9.419 7.575 1.001
823 2HB LEU 109 1HB LEU 109 8.594 7.207 2.504
824 HG LEU 109 HG LEU 109 6.518 8.245 1.529
825 1HD1 LEU 109 1HD1 LEU 109 7.559 9.625 -0.173
826 2HD1 LEU 109 2HD1 LEU 109 6.395 8.513 -0.897
827 3HD1 LEU 109 3HD1 LEU 109 8.123 8.185 -1.022
828 1HD2 LEU 109 1HD2 LEU 109 7.661 5.876 0.052
829 2HD2 LEU 109 2HD2 LEU 109 5.954 6.312 0.157
830 3HD2 LEU 109 3HD2 LEU 109 6.832 5.830 1.608
831 H GLY 110 H GLY 110 11.529 9.307 1.840
832 1HA GLY 110 2HA GLY 110 12.556 8.164 4.135
833 2HA GLY 110 1HA GLY 110 13.406 9.367 3.178
834 H ASP 111 H ASP 111 11.583 11.518 3.656
835 HA ASP 111 HA ASP 111 12.320 12.293 6.351
836 1HB ASP 111 2HB ASP 111 10.845 13.746 4.141
837 2HB ASP 111 1HB ASP 111 11.229 14.466 5.704
838 H HIS 112 H HIS 112 9.398 11.357 4.604
839 HA HIS 112 HA HIS 112 7.510 12.168 6.550
840 1HB HIS 112 2HB HIS 112 7.147 11.610 4.100
841 2HB HIS 112 1HB HIS 112 7.236 9.914 4.557
842 HD1 HIS 112 HD1 HIS 112 5.486 10.905 7.315
843 HD2 HIS 112 HD2 HIS 112 4.526 10.937 3.285
844 HE1 HIS 112 HE1 HIS 112 2.979 10.955 7.230
845 HE2 HIS 112 HE2 HIS 112 2.437 11.220 4.792
846 H LEU 113 H LEU 113 9.561 9.355 6.307
847 HA LEU 113 HA LEU 113 7.915 7.804 8.165
848 1HB LEU 113 2HB LEU 113 10.472 6.996 6.769
849 2HB LEU 113 1HB LEU 113 9.372 5.939 7.639
850 HG LEU 113 HG LEU 113 8.830 7.364 5.030
851 1HD1 LEU 113 1HD1 LEU 113 10.245 5.405 4.804
852 2HD1 LEU 113 2HD1 LEU 113 8.649 5.103 4.118
853 3HD1 LEU 113 3HD1 LEU 113 9.073 4.432 5.694
854 1HD2 LEU 113 1HD2 LEU 113 6.659 6.221 5.037
855 2HD2 LEU 113 2HD2 LEU 113 6.803 7.371 6.364
856 3HD2 LEU 113 3HD2 LEU 113 6.973 5.642 6.673
857 H ALA 114 H ALA 114 9.452 6.360 9.676
858 HA ALA 114 HA ALA 114 10.536 8.233 11.577
859 1HB ALA 114 1HB ALA 114 10.782 6.294 13.041
860 2HB ALA 114 2HB ALA 114 10.395 5.220 11.697
861 3HB ALA 114 3HB ALA 114 9.177 6.338 12.312
862 H LEU 115 H LEU 115 12.294 8.912 9.985
863 HA LEU 115 HA LEU 115 14.526 7.104 9.682
864 1HB LEU 115 2HB LEU 115 13.961 8.815 7.975
865 2HB LEU 115 1HB LEU 115 14.375 10.072 9.125
866 HG LEU 115 HG LEU 115 16.711 9.262 9.168
867 1HD1 LEU 115 1HD1 LEU 115 17.454 7.617 7.491
868 2HD1 LEU 115 2HD1 LEU 115 15.771 7.326 7.048
869 3HD1 LEU 115 3HD1 LEU 115 16.342 6.917 8.667
870 1HD2 LEU 115 1HD2 LEU 115 17.340 10.021 6.932
871 2HD2 LEU 115 2HD2 LEU 115 16.074 11.041 7.616
872 3HD2 LEU 115 3HD2 LEU 115 15.670 9.838 6.391
873 H GLU 116 H GLU 116 14.787 6.654 11.982
874 HA GLU 116 HA GLU 116 16.105 8.800 13.518
875 1HB GLU 116 2HB GLU 116 15.126 6.097 14.469
876 2HB GLU 116 1HB GLU 116 15.768 7.381 15.484
877 1HG GLU 116 2HG GLU 116 13.855 8.801 14.881
878 2HG GLU 116 1HG GLU 116 13.213 7.495 13.882
Start of MODEL 11
1 1H MET 1 1H MET 1 6.511 -2.709 13.256
2 2H MET 1 2H MET 1 7.250 -3.346 14.639
3 3H MET 1 3H MET 1 7.120 -4.288 13.240
4 HA MET 1 HA MET 1 8.716 -1.807 13.522
5 1HB MET 1 2HB MET 1 9.505 -4.723 13.457
6 2HB MET 1 1HB MET 1 10.650 -3.429 13.140
7 1HG MET 1 2HG MET 1 10.328 -2.540 15.361
8 2HG MET 1 1HG MET 1 9.065 -3.726 15.684
9 1HE MET 1 1HE MET 1 12.931 -3.216 15.013
10 2HE MET 1 2HE MET 1 12.417 -4.315 13.734
11 3HE MET 1 3HE MET 1 13.485 -4.890 15.015
12 H THR 2 H THR 2 8.141 -4.661 11.423
13 HA THR 2 HA THR 2 9.336 -3.367 9.153
14 HB THR 2 HB THR 2 7.642 -5.881 9.227
15 HG1 THR 2 HG1 THR 2 9.411 -6.428 10.339
16 1HG2 THR 2 1HG2 THR 2 8.719 -6.406 7.076
17 2HG2 THR 2 2HG2 THR 2 9.519 -4.835 7.094
18 3HG2 THR 2 3HG2 THR 2 7.762 -4.927 6.975
19 H LEU 3 H LEU 3 8.134 -1.435 8.977
20 HA LEU 3 HA LEU 3 5.333 -1.459 8.348
21 1HB LEU 3 2HB LEU 3 7.469 0.660 8.090
22 2HB LEU 3 1HB LEU 3 5.797 0.934 7.636
23 HG LEU 3 HG LEU 3 6.712 0.178 10.419
24 1HD1 LEU 3 1HD1 LEU 3 6.249 2.494 11.021
25 2HD1 LEU 3 2HD1 LEU 3 5.865 2.872 9.342
26 3HD1 LEU 3 3HD1 LEU 3 7.508 2.409 9.789
27 1HD2 LEU 3 1HD2 LEU 3 4.021 1.098 9.393
28 2HD2 LEU 3 2HD2 LEU 3 4.435 0.776 11.078
29 3HD2 LEU 3 3HD2 LEU 3 4.429 -0.540 9.906
30 H ILE 4 H ILE 4 4.624 -2.352 6.527
31 HA ILE 4 HA ILE 4 6.189 -2.135 4.054
32 HB ILE 4 HB ILE 4 4.481 -3.701 3.113
33 1HG1 ILE 4 2HG1 ILE 4 3.457 -3.615 5.966
34 2HG1 ILE 4 1HG1 ILE 4 2.561 -3.257 4.494
35 1HG2 ILE 4 1HG2 ILE 4 6.614 -4.502 4.002
36 2HG2 ILE 4 2HG2 ILE 4 5.329 -5.670 4.299
37 3HG2 ILE 4 3HG2 ILE 4 5.903 -4.642 5.612
38 1HD1 ILE 4 1HD1 ILE 4 1.880 -5.385 5.342
39 2HD1 ILE 4 2HD1 ILE 4 3.550 -5.945 5.406
40 3HD1 ILE 4 3HD1 ILE 4 2.783 -5.637 3.849
41 H TYR 5 H TYR 5 5.543 -0.999 2.281
42 HA TYR 5 HA TYR 5 3.261 0.829 2.692
43 1HB TYR 5 2HB TYR 5 5.907 1.371 1.322
44 2HB TYR 5 1HB TYR 5 4.560 2.504 1.393
45 HD1 TYR 5 HD2 TYR 5 7.038 0.682 3.475
46 HD2 TYR 5 HD1 TYR 5 4.234 3.887 3.296
47 HE1 TYR 5 HE2 TYR 5 7.883 1.541 5.619
48 HE2 TYR 5 HE1 TYR 5 5.072 4.748 5.440
49 HH TYR 5 HH TYR 5 7.952 3.612 6.882
50 H LYS 6 H LYS 6 2.129 1.601 0.884
51 HA LYS 6 HA LYS 6 2.689 0.581 -1.778
52 1HB LYS 6 2HB LYS 6 1.318 -1.224 -0.832
53 2HB LYS 6 1HB LYS 6 0.076 -0.065 -0.385
54 1HG LYS 6 2HG LYS 6 -0.263 0.460 -2.779
55 2HG LYS 6 1HG LYS 6 0.930 -0.773 -3.192
56 1HD LYS 6 2HD LYS 6 -0.469 -2.487 -2.140
57 2HD LYS 6 1HD LYS 6 -1.652 -1.258 -1.694
58 1HE LYS 6 2HE LYS 6 -2.404 -2.441 -3.667
59 2HE LYS 6 1HE LYS 6 -2.023 -0.773 -4.084
60 1HZ LYS 6 1HZ LYS 6 -0.019 -2.901 -4.441
61 2HZ LYS 6 2HZ LYS 6 -0.136 -1.409 -5.233
62 3HZ LYS 6 3HZ LYS 6 -1.218 -2.658 -5.604
63 H ILE 7 H ILE 7 2.223 2.134 -3.242
64 HA ILE 7 HA ILE 7 0.614 4.435 -2.373
65 HB ILE 7 HB ILE 7 2.402 4.177 -4.809
66 1HG1 ILE 7 2HG1 ILE 7 2.907 5.558 -2.152
67 2HG1 ILE 7 1HG1 ILE 7 3.667 4.061 -2.684
68 1HG2 ILE 7 1HG2 ILE 7 2.195 6.637 -4.914
69 2HG2 ILE 7 2HG2 ILE 7 1.034 6.581 -3.588
70 3HG2 ILE 7 3HG2 ILE 7 0.645 5.824 -5.134
71 1HD1 ILE 7 1HD1 ILE 7 5.160 5.951 -2.943
72 2HD1 ILE 7 2HD1 ILE 7 3.983 6.767 -3.971
73 3HD1 ILE 7 3HD1 ILE 7 4.745 5.272 -4.517
74 H LEU 8 H LEU 8 -1.442 4.612 -3.045
75 HA LEU 8 HA LEU 8 -2.221 3.478 -5.649
76 1HB LEU 8 2HB LEU 8 -4.130 2.378 -4.825
77 2HB LEU 8 1HB LEU 8 -2.826 1.904 -3.756
78 HG LEU 8 HG LEU 8 -4.887 4.026 -3.108
79 1HD1 LEU 8 1HD1 LEU 8 -5.935 1.840 -3.271
80 2HD1 LEU 8 2HD1 LEU 8 -5.856 2.367 -1.591
81 3HD1 LEU 8 3HD1 LEU 8 -4.721 1.155 -2.186
82 1HD2 LEU 8 1HD2 LEU 8 -2.834 4.419 -1.910
83 2HD2 LEU 8 2HD2 LEU 8 -2.746 2.728 -1.419
84 3HD2 LEU 8 3HD2 LEU 8 -4.032 3.762 -0.795
85 H SER 9 H SER 9 -4.250 4.355 -6.495
86 HA SER 9 HA SER 9 -4.349 7.185 -6.201
87 1HB SER 9 2HB SER 9 -6.321 6.938 -7.808
88 2HB SER 9 1HB SER 9 -4.770 6.312 -8.362
89 HG SER 9 HG SER 9 -7.108 4.982 -7.788
90 H ARG 10 H ARG 10 -6.183 8.487 -5.632
91 HA ARG 10 HA ARG 10 -6.988 7.957 -3.008
92 1HB ARG 10 2HB ARG 10 -6.703 10.203 -4.070
93 2HB ARG 10 1HB ARG 10 -8.232 9.959 -4.899
94 1HG ARG 10 2HG ARG 10 -8.579 11.361 -2.977
95 2HG ARG 10 1HG ARG 10 -9.361 9.803 -2.703
96 1HD ARG 10 2HD ARG 10 -8.124 10.693 -0.724
97 2HD ARG 10 1HD ARG 10 -7.593 9.095 -1.243
98 HE ARG 10 HE ARG 10 -5.650 10.159 -2.234
99 1HH1 ARG 10 1HH1 ARG 10 -7.465 12.088 -0.043
100 2HH1 ARG 10 2HH1 ARG 10 -6.122 13.102 0.341
101 1HH2 ARG 10 1HH2 ARG 10 -3.925 11.455 -1.715
102 2HH2 ARG 10 2HH2 ARG 10 -4.132 12.736 -0.574
103 H ALA 11 H ALA 11 -9.141 8.194 -5.870
104 HA ALA 11 HA ALA 11 -11.517 7.579 -4.549
105 1HB ALA 11 1HB ALA 11 -12.484 7.202 -6.723
106 2HB ALA 11 2HB ALA 11 -10.890 6.951 -7.435
107 3HB ALA 11 3HB ALA 11 -11.345 8.544 -6.829
108 H GLU 12 H GLU 12 -9.108 5.397 -5.916
109 HA GLU 12 HA GLU 12 -10.635 3.009 -5.643
110 1HB GLU 12 2HB GLU 12 -7.706 3.601 -6.000
111 2HB GLU 12 1HB GLU 12 -8.250 1.958 -5.690
112 1HG GLU 12 2HG GLU 12 -7.895 2.569 -8.105
113 2HG GLU 12 1HG GLU 12 -9.459 1.860 -7.711
114 H TRP 13 H TRP 13 -8.318 4.673 -3.528
115 HA TRP 13 HA TRP 13 -8.343 2.780 -1.429
116 1HB TRP 13 2HB TRP 13 -6.620 4.470 -1.471
117 2HB TRP 13 1HB TRP 13 -7.811 5.764 -1.413
118 HD1 TRP 13 HD1 TRP 13 -7.786 6.870 0.882
119 HE1 TRP 13 HE1 TRP 13 -7.506 6.098 3.323
120 HE3 TRP 13 HE3 TRP 13 -7.053 1.872 0.073
121 HZ2 TRP 13 HZ2 TRP 13 -7.049 3.689 4.715
122 HZ3 TRP 13 HZ3 TRP 13 -6.705 0.405 2.015
123 HH2 TRP 13 HH2 TRP 13 -6.702 1.294 4.290
124 H ASP 14 H ASP 14 -10.295 5.724 -1.953
125 HA ASP 14 HA ASP 14 -11.910 5.463 0.332
126 1HB ASP 14 2HB ASP 14 -12.266 6.867 -2.298
127 2HB ASP 14 1HB ASP 14 -13.574 6.835 -1.118
128 H ALA 15 H ALA 15 -12.303 4.092 -2.925
129 HA ALA 15 HA ALA 15 -14.852 2.952 -2.557
130 1HB ALA 15 1HB ALA 15 -14.303 1.477 -4.408
131 2HB ALA 15 2HB ALA 15 -12.591 1.870 -4.243
132 3HB ALA 15 3HB ALA 15 -13.736 3.113 -4.749
133 H ALA 16 H ALA 16 -11.634 1.438 -2.172
134 HA ALA 16 HA ALA 16 -12.487 -0.985 -1.046
135 1HB ALA 16 1HB ALA 16 -9.900 0.484 -0.519
136 2HB ALA 16 2HB ALA 16 -10.210 -0.582 -1.891
137 3HB ALA 16 3HB ALA 16 -10.199 -1.234 -0.252
138 H LYS 17 H LYS 17 -11.762 2.117 0.451
139 HA LYS 17 HA LYS 17 -12.035 1.315 3.156
140 1HB LYS 17 2HB LYS 17 -10.854 3.341 2.487
141 2HB LYS 17 1HB LYS 17 -12.336 4.027 1.848
142 1HG LYS 17 2HG LYS 17 -13.211 4.440 3.970
143 2HG LYS 17 1HG LYS 17 -12.123 3.285 4.745
144 1HD LYS 17 2HD LYS 17 -11.504 5.659 5.180
145 2HD LYS 17 1HD LYS 17 -10.228 4.734 4.392
146 1HE LYS 17 2HE LYS 17 -10.313 6.864 3.323
147 2HE LYS 17 1HE LYS 17 -11.008 5.698 2.199
148 1HZ LYS 17 1HZ LYS 17 -12.334 7.680 2.255
149 2HZ LYS 17 2HZ LYS 17 -12.502 7.589 3.933
150 3HZ LYS 17 3HZ LYS 17 -13.222 6.418 2.948
151 H ALA 18 H ALA 18 -14.339 2.477 0.752
152 HA ALA 18 HA ALA 18 -16.608 2.595 2.460
153 1HB ALA 18 1HB ALA 18 -17.926 2.587 0.414
154 2HB ALA 18 2HB ALA 18 -16.524 2.058 -0.517
155 3HB ALA 18 3HB ALA 18 -16.534 3.655 0.231
156 H GLN 19 H GLN 19 -15.133 0.024 0.553
157 HA GLN 19 HA GLN 19 -17.096 -1.981 1.148
158 1HB GLN 19 2HB GLN 19 -14.210 -2.372 0.304
159 2HB GLN 19 1HB GLN 19 -15.504 -3.557 0.190
160 1HG GLN 19 2HG GLN 19 -15.335 -0.971 -1.349
161 2HG GLN 19 1HG GLN 19 -14.987 -2.579 -1.979
162 1HE2 GLN 19 1HE2 GLN 19 -16.946 -0.619 -2.859
163 2HE2 GLN 19 2HE2 GLN 19 -18.485 -1.395 -2.762
164 H GLY 20 H GLY 20 -14.249 -0.763 2.737
165 1HA GLY 20 2HA GLY 20 -13.583 -1.149 4.956
166 2HA GLY 20 1HA GLY 20 -14.658 -2.536 5.022
167 H ARG 21 H ARG 21 -12.877 -2.680 2.201
168 HA ARG 21 HA ARG 21 -10.598 -4.115 3.283
169 1HB ARG 21 2HB ARG 21 -11.204 -6.240 2.108
170 2HB ARG 21 1HB ARG 21 -12.258 -5.855 3.462
171 1HG ARG 21 2HG ARG 21 -13.964 -5.028 1.938
172 2HG ARG 21 1HG ARG 21 -12.905 -5.334 0.562
173 1HD ARG 21 2HD ARG 21 -12.969 -7.716 0.989
174 2HD ARG 21 1HD ARG 21 -13.910 -7.459 2.460
175 HE ARG 21 HE ARG 21 -15.342 -6.315 0.380
176 1HH1 ARG 21 1HH1 ARG 21 -14.250 -9.460 1.258
177 2HH1 ARG 21 2HH1 ARG 21 -15.601 -10.248 0.527
178 1HH2 ARG 21 1HH2 ARG 21 -17.055 -7.332 -0.554
179 2HH2 ARG 21 2HH2 ARG 21 -17.180 -9.059 -0.477
180 H PHE 22 H PHE 22 -8.909 -3.808 1.949
181 HA PHE 22 HA PHE 22 -9.387 -3.077 -0.847
182 1HB PHE 22 2HB PHE 22 -7.829 -1.677 0.488
183 2HB PHE 22 1HB PHE 22 -6.793 -3.081 0.726
184 HD1 PHE 22 HD1 PHE 22 -8.384 -1.158 -2.057
185 HD2 PHE 22 HD2 PHE 22 -4.983 -3.337 -0.703
186 HE1 PHE 22 HE1 PHE 22 -7.214 -0.631 -4.151
187 HE2 PHE 22 HE2 PHE 22 -3.814 -2.810 -2.799
188 HZ PHE 22 HZ PHE 22 -4.927 -1.457 -4.525
189 H GLU 23 H GLU 23 -9.837 -4.933 -1.929
190 HA GLU 23 HA GLU 23 -8.509 -7.416 -1.470
191 1HB GLU 23 2HB GLU 23 -10.206 -6.513 -3.811
192 2HB GLU 23 1HB GLU 23 -9.705 -8.171 -3.504
193 1HG GLU 23 2HG GLU 23 -10.945 -8.137 -1.378
194 2HG GLU 23 1HG GLU 23 -11.484 -6.496 -1.736
195 H GLY 24 H GLY 24 -8.106 -4.804 -3.803
196 1HA GLY 24 2HA GLY 24 -5.573 -4.598 -4.263
197 2HA GLY 24 1HA GLY 24 -5.774 -6.197 -4.959
198 H SER 25 H SER 25 -4.809 -3.883 -6.307
199 HA SER 25 HA SER 25 -6.892 -3.031 -8.146
200 1HB SER 25 2HB SER 25 -5.132 -1.438 -7.569
201 2HB SER 25 1HB SER 25 -3.891 -2.551 -8.143
202 HG SER 25 HG SER 25 -4.536 -0.827 -9.631
203 H ALA 26 H ALA 26 -6.371 -3.214 -10.583
204 HA ALA 26 HA ALA 26 -6.466 -5.871 -11.396
205 1HB ALA 26 1HB ALA 26 -6.127 -5.045 -13.673
206 2HB ALA 26 2HB ALA 26 -5.568 -3.498 -13.038
207 3HB ALA 26 3HB ALA 26 -7.238 -4.004 -12.782
208 H VAL 27 H VAL 27 -3.673 -3.685 -11.340
209 HA VAL 27 HA VAL 27 -1.741 -5.443 -12.386
210 HB VAL 27 HB VAL 27 -1.306 -3.230 -10.357
211 1HG1 VAL 27 1HG1 VAL 27 0.966 -3.127 -11.266
212 2HG1 VAL 27 2HG1 VAL 27 0.609 -4.489 -12.328
213 3HG1 VAL 27 3HG1 VAL 27 0.627 -4.717 -10.579
214 1HG2 VAL 27 1HG2 VAL 27 -1.336 -3.125 -13.380
215 2HG2 VAL 27 2HG2 VAL 27 -0.836 -1.805 -12.322
216 3HG2 VAL 27 3HG2 VAL 27 -2.504 -2.376 -12.292
217 H ASP 28 H ASP 28 -3.056 -5.109 -9.142
218 HA ASP 28 HA ASP 28 -1.077 -6.714 -7.855
219 1HB ASP 28 2HB ASP 28 -3.858 -5.951 -6.940
220 2HB ASP 28 1HB ASP 28 -2.627 -6.698 -5.925
221 H LEU 29 H LEU 29 -4.444 -7.372 -8.849
222 HA LEU 29 HA LEU 29 -4.408 -10.120 -8.206
223 1HB LEU 29 2HB LEU 29 -6.095 -8.482 -10.075
224 2HB LEU 29 1HB LEU 29 -6.286 -10.222 -9.989
225 HG LEU 29 HG LEU 29 -6.847 -10.051 -7.596
226 1HD1 LEU 29 1HD1 LEU 29 -6.675 -7.068 -8.008
227 2HD1 LEU 29 2HD1 LEU 29 -5.586 -8.048 -7.027
228 3HD1 LEU 29 3HD1 LEU 29 -7.279 -7.883 -6.564
229 1HD2 LEU 29 1HD2 LEU 29 -8.522 -8.266 -9.369
230 2HD2 LEU 29 2HD2 LEU 29 -9.054 -9.026 -7.868
231 3HD2 LEU 29 3HD2 LEU 29 -8.633 -10.023 -9.259
232 H ALA 30 H ALA 30 -3.423 -8.406 -11.139
233 HA ALA 30 HA ALA 30 -2.981 -10.668 -12.780
234 1HB ALA 30 1HB ALA 30 -3.089 -8.386 -13.654
235 2HB ALA 30 2HB ALA 30 -1.591 -9.182 -14.137
236 3HB ALA 30 3HB ALA 30 -1.580 -7.993 -12.833
237 H ASP 31 H ASP 31 -0.970 -9.072 -10.366
238 HA ASP 31 HA ASP 31 1.375 -10.664 -10.887
239 1HB ASP 31 2HB ASP 31 1.572 -8.416 -9.970
240 2HB ASP 31 1HB ASP 31 0.619 -8.876 -8.564
241 H GLY 32 H GLY 32 -1.314 -10.770 -8.611
242 1HA GLY 32 2HA GLY 32 -2.024 -12.875 -7.637
243 2HA GLY 32 1HA GLY 32 -0.337 -13.369 -7.592
244 H PHE 33 H PHE 33 0.315 -10.533 -6.693
245 HA PHE 33 HA PHE 33 -0.667 -10.661 -3.910
246 1HB PHE 33 2HB PHE 33 2.144 -9.843 -4.649
247 2HB PHE 33 1HB PHE 33 1.506 -10.177 -3.049
248 HD1 PHE 33 HD2 PHE 33 2.700 -11.669 -6.188
249 HD2 PHE 33 HD1 PHE 33 1.293 -12.451 -2.243
250 HE1 PHE 33 HE2 PHE 33 3.479 -13.991 -6.374
251 HE2 PHE 33 HE1 PHE 33 2.079 -14.777 -2.429
252 HZ PHE 33 HZ PHE 33 3.169 -15.550 -4.493
253 H ILE 34 H ILE 34 -0.442 -8.546 -2.763
254 HA ILE 34 HA ILE 34 -1.676 -6.541 -4.397
255 HB ILE 34 HB ILE 34 -0.907 -6.361 -1.473
256 1HG1 ILE 34 2HG1 ILE 34 -3.464 -7.374 -2.755
257 2HG1 ILE 34 1HG1 ILE 34 -2.279 -8.357 -1.897
258 1HG2 ILE 34 1HG2 ILE 34 -2.990 -4.859 -3.075
259 2HG2 ILE 34 2HG2 ILE 34 -1.492 -4.194 -2.421
260 3HG2 ILE 34 3HG2 ILE 34 -2.762 -4.742 -1.329
261 1HD1 ILE 34 1HD1 ILE 34 -4.224 -7.904 -0.517
262 2HD1 ILE 34 2HD1 ILE 34 -3.963 -6.168 -0.686
263 3HD1 ILE 34 3HD1 ILE 34 -2.781 -7.160 0.169
264 H HIS 35 H HIS 35 1.439 -7.118 -4.496
265 HA HIS 35 HA HIS 35 3.412 -5.960 -4.713
266 1HB HIS 35 2HB HIS 35 1.474 -3.858 -5.710
267 2HB HIS 35 1HB HIS 35 3.219 -3.733 -5.873
268 HD1 HIS 35 HD1 HIS 35 4.101 -4.536 -8.033
269 HD2 HIS 35 HD2 HIS 35 0.462 -6.290 -7.098
270 HE1 HIS 35 HE1 HIS 35 3.468 -5.873 -10.056
271 HE2 HIS 35 HE2 HIS 35 1.158 -6.725 -9.549
272 H LEU 36 H LEU 36 4.003 -5.780 -2.481
273 HA LEU 36 HA LEU 36 3.626 -3.065 -1.377
274 1HB LEU 36 2HB LEU 36 4.160 -5.607 0.172
275 2HB LEU 36 1HB LEU 36 3.922 -4.009 0.854
276 HG LEU 36 HG LEU 36 1.838 -5.646 -0.610
277 1HD1 LEU 36 1HD1 LEU 36 2.050 -4.851 2.291
278 2HD1 LEU 36 2HD1 LEU 36 2.341 -6.463 1.637
279 3HD1 LEU 36 3HD1 LEU 36 0.728 -5.756 1.552
280 1HD2 LEU 36 1HD2 LEU 36 1.534 -3.270 -1.056
281 2HD2 LEU 36 2HD2 LEU 36 1.610 -2.918 0.671
282 3HD2 LEU 36 3HD2 LEU 36 0.273 -3.869 0.021
283 H SER 37 H SER 37 5.457 -2.160 -0.202
284 HA SER 37 HA SER 37 8.070 -3.377 -0.787
285 1HB SER 37 2HB SER 37 7.283 -0.567 -1.603
286 2HB SER 37 1HB SER 37 8.927 -1.198 -1.649
287 HG SER 37 HG SER 37 7.268 -2.889 -2.923
288 H ALA 38 H ALA 38 9.757 -2.755 0.572
289 HA ALA 38 HA ALA 38 9.051 -1.675 3.142
290 1HB ALA 38 1HB ALA 38 11.405 -2.027 3.704
291 2HB ALA 38 2HB ALA 38 11.777 -2.334 2.007
292 3HB ALA 38 3HB ALA 38 10.735 -3.445 2.895
293 H GLY 39 H GLY 39 10.857 0.010 4.043
294 1HA GLY 39 2HA GLY 39 10.159 2.518 3.178
295 2HA GLY 39 1HA GLY 39 11.651 2.177 4.033
296 H GLU 40 H GLU 40 13.405 1.176 2.481
297 HA GLU 40 HA GLU 40 14.190 3.070 0.607
298 1HB GLU 40 2HB GLU 40 14.951 0.138 0.693
299 2HB GLU 40 1HB GLU 40 15.818 1.382 -0.194
300 1HG GLU 40 2HG GLU 40 15.487 1.258 2.799
301 2HG GLU 40 1HG GLU 40 16.932 0.804 1.900
302 H GLN 41 H GLN 41 12.642 -0.074 0.010
303 HA GLN 41 HA GLN 41 12.653 0.018 -2.795
304 1HB GLN 41 2HB GLN 41 10.750 -1.416 -0.928
305 2HB GLN 41 1HB GLN 41 10.918 -1.750 -2.648
306 1HG GLN 41 2HG GLN 41 13.173 -2.526 -2.335
307 2HG GLN 41 1HG GLN 41 13.158 -2.028 -0.643
308 1HE2 GLN 41 1HE2 GLN 41 13.631 -4.663 -1.820
309 2HE2 GLN 41 2HE2 GLN 41 12.456 -5.712 -1.107
310 H ALA 42 H ALA 42 10.371 1.324 -0.459
311 HA ALA 42 HA ALA 42 8.289 1.942 -2.312
312 1HB ALA 42 1HB ALA 42 7.878 1.715 0.105
313 2HB ALA 42 2HB ALA 42 7.333 3.276 -0.511
314 3HB ALA 42 3HB ALA 42 8.842 3.163 0.397
315 H GLN 43 H GLN 43 10.917 3.840 -0.853
316 HA GLN 43 HA GLN 43 10.335 6.277 -2.167
317 1HB GLN 43 2HB GLN 43 11.773 6.111 -0.163
318 2HB GLN 43 1HB GLN 43 12.994 5.274 -1.110
319 1HG GLN 43 2HG GLN 43 13.571 7.619 -0.766
320 2HG GLN 43 1HG GLN 43 13.339 7.257 -2.475
321 1HE2 GLN 43 1HE2 GLN 43 10.671 7.678 -0.244
322 2HE2 GLN 43 2HE2 GLN 43 10.107 9.164 -0.918
323 H GLU 44 H GLU 44 12.351 3.511 -3.078
324 HA GLU 44 HA GLU 44 13.438 4.581 -5.458
325 1HB GLU 44 2HB GLU 44 14.200 2.491 -4.294
326 2HB GLU 44 1HB GLU 44 12.753 1.681 -4.867
327 1HG GLU 44 2HG GLU 44 14.748 2.915 -6.751
328 2HG GLU 44 1HG GLU 44 14.936 1.280 -6.131
329 H THR 45 H THR 45 10.653 2.363 -5.057
330 HA THR 45 HA THR 45 9.641 2.496 -7.643
331 HB THR 45 HB THR 45 8.083 2.205 -5.060
332 HG1 THR 45 HG1 THR 45 9.226 0.402 -5.094
333 1HG2 THR 45 1HG2 THR 45 7.265 1.504 -7.889
334 2HG2 THR 45 2HG2 THR 45 6.585 2.801 -6.906
335 3HG2 THR 45 3HG2 THR 45 6.353 1.119 -6.429
336 H ALA 46 H ALA 46 9.268 4.788 -4.995
337 HA ALA 46 HA ALA 46 7.300 6.433 -6.198
338 1HB ALA 46 1HB ALA 46 7.881 6.572 -3.816
339 2HB ALA 46 2HB ALA 46 8.007 8.143 -4.607
340 3HB ALA 46 3HB ALA 46 9.466 7.220 -4.239
341 H ALA 47 H ALA 47 10.860 6.904 -6.027
342 HA ALA 47 HA ALA 47 10.894 9.163 -7.719
343 1HB ALA 47 1HB ALA 47 13.317 8.830 -7.810
344 2HB ALA 47 2HB ALA 47 13.125 7.213 -7.128
345 3HB ALA 47 3HB ALA 47 12.708 8.632 -6.167
346 H LYS 48 H LYS 48 10.867 5.759 -8.440
347 HA LYS 48 HA LYS 48 11.701 6.121 -11.203
348 1HB LYS 48 2HB LYS 48 12.333 4.123 -9.820
349 2HB LYS 48 1HB LYS 48 10.648 3.629 -9.844
350 1HG LYS 48 2HG LYS 48 11.878 2.379 -11.493
351 2HG LYS 48 1HG LYS 48 10.757 3.474 -12.310
352 1HD LYS 48 2HD LYS 48 12.586 5.047 -12.729
353 2HD LYS 48 1HD LYS 48 13.707 3.986 -11.872
354 1HE LYS 48 2HE LYS 48 13.921 3.727 -14.291
355 2HE LYS 48 1HE LYS 48 13.344 2.239 -13.544
356 1HZ LYS 48 1HZ LYS 48 12.161 2.826 -15.606
357 2HZ LYS 48 2HZ LYS 48 11.586 4.235 -14.865
358 3HZ LYS 48 3HZ LYS 48 11.127 2.719 -14.273
359 H TRP 49 H TRP 49 8.719 5.236 -9.469
360 HA TRP 49 HA TRP 49 7.214 5.424 -12.007
361 1HB TRP 49 2HB TRP 49 6.506 3.903 -9.484
362 2HB TRP 49 1HB TRP 49 5.531 3.962 -10.947
363 HD1 TRP 49 HD1 TRP 49 8.814 2.472 -9.604
364 HE1 TRP 49 HE1 TRP 49 9.495 0.507 -11.118
365 HE3 TRP 49 HE3 TRP 49 5.280 2.997 -13.266
366 HZ2 TRP 49 HZ2 TRP 49 8.649 -0.669 -13.531
367 HZ3 TRP 49 HZ3 TRP 49 5.285 1.401 -15.141
368 HH2 TRP 49 HH2 TRP 49 6.935 -0.393 -15.270
369 H PHE 50 H PHE 50 6.929 6.189 -8.508
370 HA PHE 50 HA PHE 50 4.534 7.791 -9.138
371 1HB PHE 50 2HB PHE 50 5.406 6.549 -6.521
372 2HB PHE 50 1HB PHE 50 4.037 7.635 -6.689
373 HD1 PHE 50 HD1 PHE 50 2.031 6.952 -7.893
374 HD2 PHE 50 HD2 PHE 50 5.277 4.259 -7.280
375 HE1 PHE 50 HE1 PHE 50 0.563 5.057 -8.464
376 HE2 PHE 50 HE2 PHE 50 3.813 2.361 -7.849
377 HZ PHE 50 HZ PHE 50 1.455 2.758 -8.442
378 H ARG 51 H ARG 51 6.510 9.190 -9.901
379 HA ARG 51 HA ARG 51 7.209 11.037 -7.713
380 1HB ARG 51 2HB ARG 51 8.961 11.853 -9.146
381 2HB ARG 51 1HB ARG 51 9.060 10.104 -9.075
382 1HG ARG 51 2HG ARG 51 7.893 9.986 -11.252
383 2HG ARG 51 1HG ARG 51 7.929 11.750 -11.332
384 1HD ARG 51 2HD ARG 51 10.386 11.676 -11.187
385 2HD ARG 51 1HD ARG 51 10.313 9.915 -11.192
386 HE ARG 51 HE ARG 51 9.027 11.160 -13.445
387 1HH1 ARG 51 1HH1 ARG 51 11.958 9.886 -12.183
388 2HH1 ARG 51 2HH1 ARG 51 12.668 9.662 -13.740
389 1HH2 ARG 51 1HH2 ARG 51 9.932 10.867 -15.449
390 2HH2 ARG 51 2HH2 ARG 51 11.530 10.222 -15.579
391 H GLY 52 H GLY 52 4.887 10.604 -9.941
392 1HA GLY 52 2HA GLY 52 4.338 13.505 -10.166
393 2HA GLY 52 1HA GLY 52 3.686 12.282 -11.248
394 H GLN 53 H GLN 53 3.779 12.914 -7.736
395 HA GLN 53 HA GLN 53 1.370 11.444 -7.261
396 1HB GLN 53 2HB GLN 53 2.740 13.360 -5.362
397 2HB GLN 53 1HB GLN 53 1.655 12.042 -4.948
398 1HG GLN 53 2HG GLN 53 4.405 11.737 -6.149
399 2HG GLN 53 1HG GLN 53 3.993 11.510 -4.454
400 1HE2 GLN 53 1HE2 GLN 53 4.619 9.395 -4.374
401 2HE2 GLN 53 2HE2 GLN 53 3.783 8.130 -5.185
402 H ALA 54 H ALA 54 -0.586 12.205 -7.865
403 HA ALA 54 HA ALA 54 -1.108 15.091 -7.611
404 1HB ALA 54 1HB ALA 54 -2.836 14.831 -9.306
405 2HB ALA 54 2HB ALA 54 -2.540 13.093 -9.359
406 3HB ALA 54 3HB ALA 54 -1.290 14.217 -9.896
407 H ASN 55 H ASN 55 -3.107 12.145 -7.557
408 HA ASN 55 HA ASN 55 -4.367 13.074 -5.087
409 1HB ASN 55 2HB ASN 55 -6.616 12.483 -6.033
410 2HB ASN 55 1HB ASN 55 -5.858 13.879 -6.788
411 1HD2 ASN 55 1HD2 ASN 55 -7.924 12.260 -7.880
412 2HD2 ASN 55 2HD2 ASN 55 -7.316 11.561 -9.335
413 H LEU 56 H LEU 56 -2.632 11.276 -4.690
414 HA LEU 56 HA LEU 56 -4.091 8.734 -4.483
415 1HB LEU 56 2HB LEU 56 -1.695 7.778 -4.665
416 2HB LEU 56 1HB LEU 56 -2.565 8.218 -6.112
417 HG LEU 56 HG LEU 56 -1.275 10.512 -5.756
418 1HD1 LEU 56 1HD1 LEU 56 0.574 8.526 -4.441
419 2HD1 LEU 56 2HD1 LEU 56 -0.244 9.868 -3.638
420 3HD1 LEU 56 3HD1 LEU 56 0.965 10.188 -4.880
421 1HD2 LEU 56 1HD2 LEU 56 0.058 8.057 -6.902
422 2HD2 LEU 56 2HD2 LEU 56 0.429 9.740 -7.293
423 3HD2 LEU 56 3HD2 LEU 56 -1.138 9.060 -7.726
424 H VAL 57 H VAL 57 -2.639 7.241 -2.892
425 HA VAL 57 HA VAL 57 -2.022 8.803 -0.469
426 HB VAL 57 HB VAL 57 -3.824 6.362 -0.524
427 1HG1 VAL 57 1HG1 VAL 57 -2.465 6.417 1.499
428 2HG1 VAL 57 2HG1 VAL 57 -4.146 6.788 1.881
429 3HG1 VAL 57 3HG1 VAL 57 -2.952 8.085 1.805
430 1HG2 VAL 57 1HG2 VAL 57 -5.589 7.904 0.252
431 2HG2 VAL 57 2HG2 VAL 57 -4.998 8.310 -1.359
432 3HG2 VAL 57 3HG2 VAL 57 -4.478 9.258 0.034
433 H LEU 58 H LEU 58 -0.525 7.892 0.920
434 HA LEU 58 HA LEU 58 0.930 5.515 -0.020
435 1HB LEU 58 2HB LEU 58 2.277 7.519 0.338
436 2HB LEU 58 1HB LEU 58 1.671 7.666 1.977
437 HG LEU 58 HG LEU 58 2.799 5.528 2.558
438 1HD1 LEU 58 1HD1 LEU 58 4.460 4.590 1.028
439 2HD1 LEU 58 2HD1 LEU 58 3.970 5.738 -0.218
440 3HD1 LEU 58 3HD1 LEU 58 2.837 4.507 0.343
441 1HD2 LEU 58 1HD2 LEU 58 5.073 6.433 2.580
442 2HD2 LEU 58 2HD2 LEU 58 3.887 7.666 3.008
443 3HD2 LEU 58 3HD2 LEU 58 4.603 7.655 1.396
444 H LEU 59 H LEU 59 0.107 3.673 0.851
445 HA LEU 59 HA LEU 59 -1.022 3.626 3.525
446 1HB LEU 59 2HB LEU 59 -0.586 1.410 1.515
447 2HB LEU 59 1HB LEU 59 -1.408 1.211 3.052
448 HG LEU 59 HG LEU 59 -2.333 2.936 0.749
449 1HD1 LEU 59 1HD1 LEU 59 -3.432 0.360 1.880
450 2HD1 LEU 59 2HD1 LEU 59 -2.621 0.560 0.326
451 3HD1 LEU 59 3HD1 LEU 59 -4.181 1.330 0.610
452 1HD2 LEU 59 1HD2 LEU 59 -3.637 2.432 3.428
453 2HD2 LEU 59 2HD2 LEU 59 -4.350 3.319 2.079
454 3HD2 LEU 59 3HD2 LEU 59 -2.919 3.951 2.890
455 H ALA 60 H ALA 60 -0.239 2.488 5.288
456 HA ALA 60 HA ALA 60 2.368 1.143 5.086
457 1HB ALA 60 1HB ALA 60 1.738 3.249 7.166
458 2HB ALA 60 2HB ALA 60 2.838 3.452 5.803
459 3HB ALA 60 3HB ALA 60 3.215 2.286 7.071
460 H VAL 61 H VAL 61 2.417 -0.738 6.242
461 HA VAL 61 HA VAL 61 0.413 -1.159 8.372
462 HB VAL 61 HB VAL 61 0.946 -3.124 6.124
463 1HG1 VAL 61 1HG1 VAL 61 -0.846 -4.471 7.153
464 2HG1 VAL 61 2HG1 VAL 61 -0.920 -3.330 8.496
465 3HG1 VAL 61 3HG1 VAL 61 0.540 -4.282 8.226
466 1HG2 VAL 61 1HG2 VAL 61 -0.441 -1.247 5.393
467 2HG2 VAL 61 2HG2 VAL 61 -1.538 -1.515 6.748
468 3HG2 VAL 61 3HG2 VAL 61 -1.388 -2.732 5.479
469 H GLU 62 H GLU 62 1.086 -2.383 10.093
470 HA GLU 62 HA GLU 62 3.842 -3.144 10.373
471 1HB GLU 62 2HB GLU 62 1.382 -3.467 12.090
472 2HB GLU 62 1HB GLU 62 2.901 -4.225 12.542
473 1HG GLU 62 2HG GLU 62 2.778 -1.284 11.968
474 2HG GLU 62 1HG GLU 62 2.294 -1.923 13.538
475 H ALA 63 H ALA 63 4.758 -4.989 9.705
476 HA ALA 63 HA ALA 63 3.185 -7.042 8.460
477 1HB ALA 63 1HB ALA 63 6.159 -6.895 8.922
478 2HB ALA 63 2HB ALA 63 5.294 -6.291 7.508
479 3HB ALA 63 3HB ALA 63 5.331 -8.022 7.844
480 H GLU 64 H GLU 64 4.927 -6.820 11.530
481 HA GLU 64 HA GLU 64 5.352 -9.539 12.001
482 1HB GLU 64 2HB GLU 64 4.973 -7.291 13.978
483 2HB GLU 64 1HB GLU 64 5.423 -8.918 14.454
484 1HG GLU 64 2HG GLU 64 7.413 -7.671 14.394
485 2HG GLU 64 1HG GLU 64 7.433 -8.694 12.960
486 HA PRO 65 HA PRO 65 1.423 -9.846 14.707
487 1HB PRO 65 2HB PRO 65 -0.508 -7.975 14.648
488 2HB PRO 65 1HB PRO 65 0.964 -7.767 15.605
489 1HG PRO 65 2HG PRO 65 0.298 -6.660 12.894
490 2HG PRO 65 1HG PRO 65 1.012 -5.832 14.291
491 1HD PRO 65 2HD PRO 65 2.497 -6.775 12.207
492 2HD PRO 65 1HD PRO 65 3.122 -6.664 13.866
493 H LEU 66 H LEU 66 1.367 -9.363 11.389
494 HA LEU 66 HA LEU 66 -1.346 -9.876 10.759
495 1HB LEU 66 2HB LEU 66 1.134 -10.480 9.137
496 2HB LEU 66 1HB LEU 66 -0.508 -10.501 8.517
497 HG LEU 66 HG LEU 66 0.977 -8.075 9.553
498 1HD1 LEU 66 1HD1 LEU 66 0.883 -7.298 7.245
499 2HD1 LEU 66 2HD1 LEU 66 0.078 -8.790 6.758
500 3HD1 LEU 66 3HD1 LEU 66 1.739 -8.837 7.350
501 1HD2 LEU 66 1HD2 LEU 66 -0.980 -6.793 8.824
502 2HD2 LEU 66 2HD2 LEU 66 -1.401 -7.937 10.097
503 3HD2 LEU 66 3HD2 LEU 66 -1.818 -8.293 8.420
504 H GLY 67 H GLY 67 1.439 -12.092 11.016
505 1HA GLY 67 2HA GLY 67 0.961 -14.313 12.027
506 2HA GLY 67 1HA GLY 67 -0.467 -14.363 11.010
507 H GLU 68 H GLU 68 2.836 -13.403 10.231
508 HA GLU 68 HA GLU 68 4.243 -13.936 8.549
509 1HB GLU 68 2HB GLU 68 3.194 -16.717 9.098
510 2HB GLU 68 1HB GLU 68 4.647 -16.347 8.186
511 1HG GLU 68 2HG GLU 68 5.419 -16.947 10.307
512 2HG GLU 68 1HG GLU 68 5.486 -15.186 10.299
513 H ASP 69 H ASP 69 1.289 -13.452 7.866
514 HA ASP 69 HA ASP 69 0.754 -14.869 5.456
515 1HB ASP 69 2HB ASP 69 -0.309 -12.247 6.529
516 2HB ASP 69 1HB ASP 69 -0.911 -13.018 5.065
517 H LEU 70 H LEU 70 2.905 -12.329 6.172
518 HA LEU 70 HA LEU 70 2.965 -11.260 3.460
519 1HB LEU 70 2HB LEU 70 3.184 -9.756 5.420
520 2HB LEU 70 1HB LEU 70 4.671 -10.576 5.862
521 HG LEU 70 HG LEU 70 5.626 -9.858 3.641
522 1HD1 LEU 70 1HD1 LEU 70 4.523 -7.993 2.486
523 2HD1 LEU 70 2HD1 LEU 70 3.136 -8.152 3.563
524 3HD1 LEU 70 3HD1 LEU 70 3.545 -9.459 2.452
525 1HD2 LEU 70 1HD2 LEU 70 6.180 -8.699 5.717
526 2HD2 LEU 70 2HD2 LEU 70 4.762 -7.666 5.530
527 3HD2 LEU 70 3HD2 LEU 70 6.084 -7.569 4.367
528 H LYS 71 H LYS 71 4.065 -12.380 1.967
529 HA LYS 71 HA LYS 71 6.319 -14.068 2.782
530 1HB LYS 71 2HB LYS 71 4.266 -14.639 1.158
531 2HB LYS 71 1HB LYS 71 5.355 -13.980 -0.048
532 1HG LYS 71 2HG LYS 71 5.892 -16.326 1.775
533 2HG LYS 71 1HG LYS 71 5.532 -16.392 0.051
534 1HD LYS 71 2HD LYS 71 7.615 -15.142 -0.406
535 2HD LYS 71 1HD LYS 71 7.981 -15.150 1.321
536 1HE LYS 71 2HE LYS 71 9.220 -16.919 0.241
537 2HE LYS 71 1HE LYS 71 7.978 -17.632 1.269
538 1HZ LYS 71 1HZ LYS 71 8.004 -18.778 -0.807
539 2HZ LYS 71 2HZ LYS 71 7.907 -17.339 -1.684
540 3HZ LYS 71 3HZ LYS 71 6.587 -17.853 -0.764
541 H TRP 72 H TRP 72 8.159 -12.831 2.944
542 HA TRP 72 HA TRP 72 8.857 -10.776 1.092
543 1HB TRP 72 2HB TRP 72 10.384 -12.283 3.202
544 2HB TRP 72 1HB TRP 72 11.233 -11.221 2.082
545 HD1 TRP 72 HD1 TRP 72 8.551 -11.073 4.859
546 HE1 TRP 72 HE1 TRP 72 8.508 -8.675 5.792
547 HE3 TRP 72 HE3 TRP 72 11.794 -8.863 1.581
548 HZ2 TRP 72 HZ2 TRP 72 9.686 -6.176 5.214
549 HZ3 TRP 72 HZ3 TRP 72 12.282 -6.463 1.836
550 HH2 TRP 72 HH2 TRP 72 11.247 -5.148 3.618
551 H GLU 73 H GLU 73 8.861 -11.391 -0.988
552 HA GLU 73 HA GLU 73 10.388 -13.803 -1.744
553 1HB GLU 73 2HB GLU 73 7.931 -14.145 -1.835
554 2HB GLU 73 1HB GLU 73 7.800 -12.809 -2.971
555 1HG GLU 73 2HG GLU 73 7.708 -15.003 -4.072
556 2HG GLU 73 1HG GLU 73 9.072 -14.027 -4.620
557 H ALA 74 H ALA 74 11.698 -13.689 -3.490
558 HA ALA 74 HA ALA 74 12.290 -11.060 -4.563
559 1HB ALA 74 1HB ALA 74 14.208 -12.122 -5.608
560 2HB ALA 74 2HB ALA 74 13.593 -13.717 -5.169
561 3HB ALA 74 3HB ALA 74 14.106 -12.592 -3.911
562 H SER 75 H SER 75 12.896 -11.102 -7.027
563 HA SER 75 HA SER 75 11.389 -12.756 -8.778
564 1HB SER 75 2HB SER 75 9.543 -11.305 -7.868
565 2HB SER 75 1HB SER 75 10.376 -9.900 -8.533
566 HG SER 75 HG SER 75 8.822 -11.783 -9.781
567 H ARG 76 H ARG 76 11.222 -11.238 -11.029
568 HA ARG 76 HA ARG 76 13.824 -11.159 -11.996
569 1HB ARG 76 2HB ARG 76 11.385 -9.688 -13.023
570 2HB ARG 76 1HB ARG 76 12.876 -9.923 -13.932
571 1HG ARG 76 2HG ARG 76 12.564 -12.309 -13.936
572 2HG ARG 76 1HG ARG 76 11.164 -12.170 -12.874
573 1HD ARG 76 2HD ARG 76 10.491 -12.545 -15.189
574 2HD ARG 76 1HD ARG 76 9.948 -10.969 -14.617
575 HE ARG 76 HE ARG 76 11.775 -9.985 -15.902
576 1HH1 ARG 76 1HH1 ARG 76 10.862 -13.224 -16.680
577 2HH1 ARG 76 2HH1 ARG 76 11.554 -13.146 -18.262
578 1HH2 ARG 76 1HH2 ARG 76 12.601 -9.889 -17.940
579 2HH2 ARG 76 2HH2 ARG 76 12.517 -11.274 -18.974
580 H GLY 77 H GLY 77 15.336 -9.994 -10.972
581 1HA GLY 77 2HA GLY 77 16.117 -7.503 -11.174
582 2HA GLY 77 1HA GLY 77 14.756 -7.245 -10.092
583 H GLY 78 H GLY 78 15.461 -10.036 -8.939
584 1HA GLY 78 2HA GLY 78 16.983 -11.011 -7.473
585 2HA GLY 78 1HA GLY 78 18.065 -9.653 -7.720
586 H ALA 79 H ALA 79 15.213 -8.245 -6.971
587 HA ALA 79 HA ALA 79 16.029 -7.873 -4.184
588 1HB ALA 79 1HB ALA 79 14.035 -6.315 -5.827
589 2HB ALA 79 2HB ALA 79 15.727 -5.883 -5.586
590 3HB ALA 79 3HB ALA 79 14.617 -5.893 -4.215
591 H ARG 80 H ARG 80 14.938 -8.723 -2.510
592 HA ARG 80 HA ARG 80 12.479 -10.179 -2.921
593 1HB ARG 80 2HB ARG 80 14.200 -9.657 -0.503
594 2HB ARG 80 1HB ARG 80 12.626 -10.425 -0.356
595 1HG ARG 80 2HG ARG 80 13.374 -12.205 -1.885
596 2HG ARG 80 1HG ARG 80 14.971 -11.452 -1.951
597 1HD ARG 80 2HD ARG 80 15.303 -11.812 0.399
598 2HD ARG 80 1HD ARG 80 13.639 -12.357 0.601
599 HE ARG 80 HE ARG 80 15.145 -13.966 -1.241
600 1HH1 ARG 80 1HH1 ARG 80 14.402 -13.429 2.085
601 2HH1 ARG 80 2HH1 ARG 80 14.744 -15.064 2.538
602 1HH2 ARG 80 1HH2 ARG 80 15.606 -16.068 -0.633
603 2HH2 ARG 80 2HH2 ARG 80 15.433 -16.527 1.027
604 H PHE 81 H PHE 81 10.656 -9.068 -3.192
605 HA PHE 81 HA PHE 81 10.128 -6.695 -1.550
606 1HB PHE 81 2HB PHE 81 8.712 -7.828 -3.976
607 2HB PHE 81 1HB PHE 81 8.107 -6.454 -3.056
608 HD1 PHE 81 HD2 PHE 81 9.219 -4.300 -3.146
609 HD2 PHE 81 HD1 PHE 81 10.676 -7.616 -5.394
610 HE1 PHE 81 HE2 PHE 81 10.605 -2.777 -4.492
611 HE2 PHE 81 HE1 PHE 81 12.066 -6.095 -6.736
612 HZ PHE 81 HZ PHE 81 12.029 -3.673 -6.286
613 HA PRO 82 HA PRO 82 7.477 -9.013 1.201
614 1HB PRO 82 2HB PRO 82 5.912 -6.915 2.059
615 2HB PRO 82 1HB PRO 82 7.520 -7.280 2.691
616 1HG PRO 82 2HG PRO 82 6.702 -5.251 0.650
617 2HG PRO 82 1HG PRO 82 7.888 -5.113 1.963
618 1HD PRO 82 2HD PRO 82 8.624 -5.526 -0.608
619 2HD PRO 82 1HD PRO 82 9.538 -6.200 0.757
620 H HIS 83 H HIS 83 6.299 -10.305 -0.199
621 HA HIS 83 HA HIS 83 4.128 -9.150 -1.768
622 1HB HIS 83 2HB HIS 83 5.460 -11.850 -1.714
623 2HB HIS 83 1HB HIS 83 3.940 -11.609 -2.566
624 HD1 HIS 83 HD1 HIS 83 7.584 -10.692 -2.715
625 HD2 HIS 83 HD2 HIS 83 4.122 -10.137 -4.948
626 HE1 HIS 83 HE1 HIS 83 8.351 -9.826 -4.940
627 HE2 HIS 83 HE2 HIS 83 6.255 -9.628 -6.320
628 H LEU 84 H LEU 84 2.363 -8.737 -0.553
629 HA LEU 84 HA LEU 84 1.313 -10.801 1.242
630 1HB LEU 84 2HB LEU 84 1.405 -8.453 2.024
631 2HB LEU 84 1HB LEU 84 0.335 -7.986 0.718
632 HG LEU 84 HG LEU 84 -1.436 -9.447 1.696
633 1HD1 LEU 84 1HD1 LEU 84 -1.154 -10.229 4.017
634 2HD1 LEU 84 2HD1 LEU 84 0.543 -9.751 3.957
635 3HD1 LEU 84 3HD1 LEU 84 -0.054 -11.029 2.896
636 1HD2 LEU 84 1HD2 LEU 84 -0.348 -7.333 3.564
637 2HD2 LEU 84 2HD2 LEU 84 -2.001 -7.950 3.539
638 3HD2 LEU 84 3HD2 LEU 84 -1.378 -7.041 2.162
639 H TYR 85 H TYR 85 -0.172 -12.196 0.541
640 HA TYR 85 HA TYR 85 -1.706 -11.589 -1.906
641 1HB TYR 85 2HB TYR 85 -2.109 -14.167 -1.785
642 2HB TYR 85 1HB TYR 85 -0.541 -13.567 -2.310
643 HD1 TYR 85 HD1 TYR 85 1.404 -13.678 -0.798
644 HD2 TYR 85 HD2 TYR 85 -2.327 -15.422 0.292
645 HE1 TYR 85 HE1 TYR 85 2.529 -14.966 0.946
646 HE2 TYR 85 HE2 TYR 85 -1.200 -16.724 2.052
647 HH TYR 85 HH TYR 85 1.928 -16.064 3.113
648 H ARG 86 H ARG 86 -2.282 -10.892 1.025
649 HA ARG 86 HA ARG 86 -4.907 -12.213 1.331
650 1HB ARG 86 2HB ARG 86 -3.231 -10.870 3.469
651 2HB ARG 86 1HB ARG 86 -4.717 -11.777 3.719
652 1HG ARG 86 2HG ARG 86 -2.240 -13.025 2.546
653 2HG ARG 86 1HG ARG 86 -2.550 -12.964 4.281
654 1HD ARG 86 2HD ARG 86 -4.520 -14.148 2.328
655 2HD ARG 86 1HD ARG 86 -3.226 -15.096 3.060
656 HE ARG 86 HE ARG 86 -4.270 -14.290 5.250
657 1HH1 ARG 86 1HH1 ARG 86 -6.102 -14.911 2.389
658 2HH1 ARG 86 2HH1 ARG 86 -7.514 -15.370 3.278
659 1HH2 ARG 86 1HH2 ARG 86 -6.074 -14.894 6.356
660 2HH2 ARG 86 2HH2 ARG 86 -7.495 -15.372 5.491
661 HA PRO 87 HA PRO 87 -6.800 -8.275 0.297
662 1HB PRO 87 2HB PRO 87 -8.940 -9.279 2.139
663 2HB PRO 87 1HB PRO 87 -9.077 -8.640 0.494
664 1HG PRO 87 2HG PRO 87 -9.263 -11.252 0.917
665 2HG PRO 87 1HG PRO 87 -8.356 -10.638 -0.480
666 1HD PRO 87 2HD PRO 87 -7.328 -11.717 2.122
667 2HD PRO 87 1HD PRO 87 -6.697 -11.947 0.477
668 H LEU 88 H LEU 88 -6.077 -6.445 1.212
669 HA LEU 88 HA LEU 88 -5.429 -6.306 3.998
670 1HB LEU 88 2HB LEU 88 -4.064 -5.237 2.247
671 2HB LEU 88 1HB LEU 88 -5.389 -4.149 1.881
672 HG LEU 88 HG LEU 88 -5.203 -3.176 4.152
673 1HD1 LEU 88 1HD1 LEU 88 -4.305 -5.101 5.335
674 2HD1 LEU 88 2HD1 LEU 88 -3.245 -3.707 5.538
675 3HD1 LEU 88 3HD1 LEU 88 -2.803 -4.992 4.413
676 1HD2 LEU 88 1HD2 LEU 88 -2.647 -3.165 2.535
677 2HD2 LEU 88 2HD2 LEU 88 -3.067 -1.993 3.784
678 3HD2 LEU 88 3HD2 LEU 88 -4.035 -2.098 2.314
679 H LEU 89 H LEU 89 -7.292 -6.414 5.228
680 HA LEU 89 HA LEU 89 -9.642 -4.938 4.859
681 1HB LEU 89 2HB LEU 89 -8.437 -5.825 7.488
682 2HB LEU 89 1HB LEU 89 -10.115 -5.392 7.215
683 HG LEU 89 HG LEU 89 -8.678 -7.793 6.064
684 1HD1 LEU 89 1HD1 LEU 89 -10.228 -9.078 7.459
685 2HD1 LEU 89 2HD1 LEU 89 -10.860 -7.575 8.133
686 3HD1 LEU 89 3HD1 LEU 89 -9.181 -8.035 8.420
687 1HD2 LEU 89 1HD2 LEU 89 -10.872 -8.445 5.169
688 2HD2 LEU 89 2HD2 LEU 89 -10.291 -6.940 4.458
689 3HD2 LEU 89 3HD2 LEU 89 -11.543 -6.903 5.700
690 H VAL 90 H VAL 90 -10.075 -2.820 5.045
691 HA VAL 90 HA VAL 90 -8.051 -0.927 5.531
692 HB VAL 90 HB VAL 90 -11.047 -0.514 5.487
693 1HG1 VAL 90 1HG1 VAL 90 -10.526 1.833 4.947
694 2HG1 VAL 90 2HG1 VAL 90 -8.812 1.503 5.198
695 3HG1 VAL 90 3HG1 VAL 90 -9.936 1.381 6.549
696 1HG2 VAL 90 1HG2 VAL 90 -8.974 -0.279 3.300
697 2HG2 VAL 90 2HG2 VAL 90 -10.677 0.142 3.144
698 3HG2 VAL 90 3HG2 VAL 90 -10.211 -1.530 3.439
699 H SER 91 H SER 91 -10.548 -2.228 7.661
700 HA SER 91 HA SER 91 -10.079 -0.411 9.821
701 1HB SER 91 2HB SER 91 -11.348 -3.165 9.854
702 2HB SER 91 1HB SER 91 -11.426 -1.989 11.164
703 HG SER 91 HG SER 91 -13.293 -1.781 9.978
704 H GLU 92 H GLU 92 -8.026 -2.645 8.570
705 HA GLU 92 HA GLU 92 -6.762 -3.236 11.177
706 1HB GLU 92 2HB GLU 92 -7.654 -5.215 9.917
707 2HB GLU 92 1HB GLU 92 -6.535 -4.843 8.616
708 1HG GLU 92 2HG GLU 92 -5.676 -6.636 9.987
709 2HG GLU 92 1HG GLU 92 -4.647 -5.211 10.137
710 H VAL 93 H VAL 93 -6.476 -1.269 8.548
711 HA VAL 93 HA VAL 93 -3.679 -1.528 7.935
712 HB VAL 93 HB VAL 93 -5.581 0.760 7.349
713 1HG1 VAL 93 1HG1 VAL 93 -2.860 0.163 6.167
714 2HG1 VAL 93 2HG1 VAL 93 -3.245 1.495 7.258
715 3HG1 VAL 93 3HG1 VAL 93 -3.952 1.444 5.643
716 1HG2 VAL 93 1HG2 VAL 93 -5.720 -0.210 5.098
717 2HG2 VAL 93 2HG2 VAL 93 -6.303 -1.334 6.326
718 3HG2 VAL 93 3HG2 VAL 93 -4.704 -1.554 5.615
719 H THR 94 H THR 94 -1.939 -0.380 8.725
720 HA THR 94 HA THR 94 -2.137 0.786 11.310
721 HB THR 94 HB THR 94 0.210 0.941 9.398
722 HG1 THR 94 HG1 THR 94 -0.644 -1.052 11.230
723 1HG2 THR 94 1HG2 THR 94 0.367 2.529 11.270
724 2HG2 THR 94 2HG2 THR 94 1.562 1.241 11.415
725 3HG2 THR 94 3HG2 THR 94 0.106 1.206 12.409
726 H ARG 95 H ARG 95 -1.143 2.305 8.193
727 HA ARG 95 HA ARG 95 -2.416 4.799 9.035
728 1HB ARG 95 2HB ARG 95 0.546 4.503 8.596
729 2HB ARG 95 1HB ARG 95 -0.253 6.054 8.367
730 1HG ARG 95 2HG ARG 95 -0.668 4.580 10.935
731 2HG ARG 95 1HG ARG 95 0.859 5.414 10.662
732 1HD ARG 95 2HD ARG 95 -1.006 6.696 11.871
733 2HD ARG 95 1HD ARG 95 -0.160 7.514 10.565
734 HE ARG 95 HE ARG 95 -2.110 7.569 9.368
735 1HH1 ARG 95 1HH1 ARG 95 -2.538 5.399 12.014
736 2HH1 ARG 95 2HH1 ARG 95 -4.246 5.293 11.775
737 1HH2 ARG 95 1HH2 ARG 95 -4.288 7.458 9.115
738 2HH2 ARG 95 2HH2 ARG 95 -5.231 6.453 10.161
739 H GLU 96 H GLU 96 -2.853 6.281 7.418
740 HA GLU 96 HA GLU 96 -2.203 5.538 4.636
741 1HB GLU 96 2HB GLU 96 -4.479 6.409 3.991
742 2HB GLU 96 1HB GLU 96 -4.509 4.915 4.918
743 1HG GLU 96 2HG GLU 96 -5.153 6.092 6.914
744 2HG GLU 96 1HG GLU 96 -4.937 7.648 6.119
745 H ALA 97 H ALA 97 -0.647 7.089 4.268
746 HA ALA 97 HA ALA 97 -1.083 9.804 5.307
747 1HB ALA 97 1HB ALA 97 0.997 8.645 5.917
748 2HB ALA 97 2HB ALA 97 1.303 10.128 5.013
749 3HB ALA 97 3HB ALA 97 1.441 8.562 4.213
750 H ASP 98 H ASP 98 -1.533 11.500 4.028
751 HA ASP 98 HA ASP 98 -1.574 11.355 1.169
752 1HB ASP 98 2HB ASP 98 -3.120 12.814 2.364
753 2HB ASP 98 1HB ASP 98 -1.778 13.715 3.062
754 H LEU 99 H LEU 99 -0.210 12.503 -0.318
755 HA LEU 99 HA LEU 99 2.269 13.647 0.672
756 1HB LEU 99 2HB LEU 99 3.741 12.152 -0.553
757 2HB LEU 99 1HB LEU 99 2.803 11.267 0.631
758 HG LEU 99 HG LEU 99 2.173 11.331 -2.332
759 1HD1 LEU 99 1HD1 LEU 99 4.309 10.236 -1.953
760 2HD1 LEU 99 2HD1 LEU 99 3.077 9.055 -2.393
761 3HD1 LEU 99 3HD1 LEU 99 3.585 9.212 -0.711
762 1HD2 LEU 99 1HD2 LEU 99 1.106 9.567 -0.119
763 2HD2 LEU 99 2HD2 LEU 99 0.721 9.425 -1.835
764 3HD2 LEU 99 3HD2 LEU 99 0.219 10.856 -0.938
765 H ASP 100 H ASP 100 3.328 14.969 -0.764
766 HA ASP 100 HA ASP 100 2.197 15.268 -3.473
767 1HB ASP 100 2HB ASP 100 2.593 17.739 -3.229
768 2HB ASP 100 1HB ASP 100 1.334 17.102 -2.176
769 H LEU 101 H LEU 101 4.048 17.380 -4.219
770 HA LEU 101 HA LEU 101 6.492 15.729 -4.449
771 1HB LEU 101 2HB LEU 101 5.221 17.550 -6.492
772 2HB LEU 101 1HB LEU 101 6.764 16.738 -6.702
773 HG LEU 101 HG LEU 101 4.087 15.370 -6.371
774 1HD1 LEU 101 1HD1 LEU 101 4.282 16.465 -8.530
775 2HD1 LEU 101 2HD1 LEU 101 4.390 14.716 -8.716
776 3HD1 LEU 101 3HD1 LEU 101 5.851 15.702 -8.801
777 1HD2 LEU 101 1HD2 LEU 101 5.348 13.318 -6.936
778 2HD2 LEU 101 2HD2 LEU 101 5.852 14.031 -5.404
779 3HD2 LEU 101 3HD2 LEU 101 6.848 14.242 -6.844
780 H ASP 102 H ASP 102 8.434 16.627 -4.038
781 HA ASP 102 HA ASP 102 8.748 19.540 -4.111
782 1HB ASP 102 2HB ASP 102 9.999 19.412 -1.908
783 2HB ASP 102 1HB ASP 102 8.253 19.197 -1.805
784 H ALA 103 H ALA 103 11.239 19.940 -3.373
785 HA ALA 103 HA ALA 103 13.427 19.836 -3.944
786 1HB ALA 103 1HB ALA 103 13.361 17.737 -2.680
787 2HB ALA 103 2HB ALA 103 14.522 17.661 -4.005
788 3HB ALA 103 3HB ALA 103 12.959 16.859 -4.158
789 H ASP 104 H ASP 104 12.382 17.143 -6.011
790 HA ASP 104 HA ASP 104 12.883 18.750 -8.423
791 1HB ASP 104 2HB ASP 104 14.983 17.519 -7.810
792 2HB ASP 104 1HB ASP 104 14.099 16.005 -7.942
793 H GLY 105 H GLY 105 10.560 17.466 -6.945
794 1HA GLY 105 2HA GLY 105 8.510 16.688 -7.878
795 2HA GLY 105 1HA GLY 105 9.412 15.949 -9.195
796 H VAL 106 H VAL 106 10.264 15.635 -5.804
797 HA VAL 106 HA VAL 106 9.550 12.769 -5.906
798 HB VAL 106 HB VAL 106 11.820 14.128 -4.427
799 1HG1 VAL 106 1HG1 VAL 106 10.993 11.219 -4.385
800 2HG1 VAL 106 2HG1 VAL 106 10.934 12.350 -3.032
801 3HG1 VAL 106 3HG1 VAL 106 12.489 11.859 -3.703
802 1HG2 VAL 106 1HG2 VAL 106 13.276 12.771 -5.855
803 2HG2 VAL 106 2HG2 VAL 106 12.249 13.839 -6.811
804 3HG2 VAL 106 3HG2 VAL 106 11.862 12.122 -6.685
805 HA PRO 107 HA PRO 107 7.156 13.814 -2.207
806 1HB PRO 107 2HB PRO 107 6.105 11.371 -1.757
807 2HB PRO 107 1HB PRO 107 5.520 12.403 -3.068
808 1HG PRO 107 2HG PRO 107 7.394 10.069 -3.185
809 2HG PRO 107 1HG PRO 107 6.084 10.508 -4.296
810 1HD PRO 107 2HD PRO 107 8.753 11.033 -4.752
811 2HD PRO 107 1HD PRO 107 7.418 11.954 -5.475
812 H GLN 108 H GLN 108 9.350 14.133 -1.184
813 HA GLN 108 HA GLN 108 10.746 11.853 -0.192
814 1HB GLN 108 2HB GLN 108 12.311 13.356 0.801
815 2HB GLN 108 1HB GLN 108 11.882 13.960 -0.785
816 1HG GLN 108 2HG GLN 108 10.286 15.539 0.400
817 2HG GLN 108 1HG GLN 108 11.079 15.048 1.899
818 1HE2 GLN 108 1HE2 GLN 108 12.495 15.574 -1.302
819 2HE2 GLN 108 2HE2 GLN 108 13.552 16.842 -0.812
820 H LEU 109 H LEU 109 9.247 10.718 0.918
821 HA LEU 109 HA LEU 109 7.722 11.605 3.098
822 1HB LEU 109 2HB LEU 109 7.574 9.056 3.565
823 2HB LEU 109 1HB LEU 109 6.854 9.719 2.116
824 HG LEU 109 HG LEU 109 8.786 8.955 0.794
825 1HD1 LEU 109 1HD1 LEU 109 10.528 9.049 2.433
826 2HD1 LEU 109 2HD1 LEU 109 10.403 7.394 1.832
827 3HD1 LEU 109 3HD1 LEU 109 9.731 7.815 3.414
828 1HD2 LEU 109 1HD2 LEU 109 8.325 6.544 0.928
829 2HD2 LEU 109 2HD2 LEU 109 6.847 7.504 0.978
830 3HD2 LEU 109 3HD2 LEU 109 7.490 6.799 2.461
831 H GLY 110 H GLY 110 10.940 11.602 3.111
832 1HA GLY 110 2HA GLY 110 11.905 10.238 5.289
833 2HA GLY 110 1HA GLY 110 12.460 11.834 4.820
834 H ASP 111 H ASP 111 9.754 13.015 5.359
835 HA ASP 111 HA ASP 111 10.032 13.697 8.095
836 1HB ASP 111 2HB ASP 111 7.413 13.865 6.597
837 2HB ASP 111 1HB ASP 111 8.024 14.935 7.855
838 H HIS 112 H HIS 112 8.145 11.273 6.435
839 HA HIS 112 HA HIS 112 6.528 10.477 8.665
840 1HB HIS 112 2HB HIS 112 7.060 9.197 5.973
841 2HB HIS 112 1HB HIS 112 5.850 8.622 7.109
842 HD1 HIS 112 HD1 HIS 112 3.779 10.249 7.518
843 HD2 HIS 112 HD2 HIS 112 6.329 11.345 4.429
844 HE1 HIS 112 HE1 HIS 112 2.525 11.972 6.194
845 HE2 HIS 112 HE2 HIS 112 4.192 12.805 4.505
846 H LEU 113 H LEU 113 9.685 9.621 7.535
847 HA LEU 113 HA LEU 113 9.635 7.068 9.017
848 1HB LEU 113 2HB LEU 113 11.748 7.955 7.059
849 2HB LEU 113 1HB LEU 113 11.452 6.338 7.663
850 HG LEU 113 HG LEU 113 9.788 7.891 5.680
851 1HD1 LEU 113 1HD1 LEU 113 11.238 5.255 5.445
852 2HD1 LEU 113 2HD1 LEU 113 11.775 6.796 4.775
853 3HD1 LEU 113 3HD1 LEU 113 10.295 6.047 4.178
854 1HD2 LEU 113 1HD2 LEU 113 9.134 5.263 7.012
855 2HD2 LEU 113 2HD2 LEU 113 8.301 5.920 5.602
856 3HD2 LEU 113 3HD2 LEU 113 8.233 6.774 7.141
857 H ALA 114 H ALA 114 11.590 6.467 10.232
858 HA ALA 114 HA ALA 114 12.703 8.754 11.672
859 1HB ALA 114 1HB ALA 114 13.482 7.125 13.307
860 2HB ALA 114 2HB ALA 114 12.974 5.802 12.258
861 3HB ALA 114 3HB ALA 114 11.769 6.882 12.958
862 H LEU 115 H LEU 115 14.372 5.686 11.023
863 HA LEU 115 HA LEU 115 16.441 5.177 10.271
864 1HB LEU 115 2HB LEU 115 15.790 7.479 8.441
865 2HB LEU 115 1HB LEU 115 17.291 6.589 8.300
866 HG LEU 115 HG LEU 115 15.733 5.758 6.665
867 1HD1 LEU 115 1HD1 LEU 115 15.682 3.398 7.219
868 2HD1 LEU 115 2HD1 LEU 115 15.958 3.768 8.921
869 3HD1 LEU 115 3HD1 LEU 115 17.211 4.116 7.727
870 1HD2 LEU 115 1HD2 LEU 115 13.841 5.203 8.952
871 2HD2 LEU 115 2HD2 LEU 115 13.589 4.751 7.266
872 3HD2 LEU 115 3HD2 LEU 115 13.646 6.453 7.722
873 H GLU 116 H GLU 116 18.757 6.064 9.859
874 HA GLU 116 HA GLU 116 19.440 8.559 11.086
875 1HB GLU 116 2HB GLU 116 20.868 7.518 12.903
876 2HB GLU 116 1HB GLU 116 19.131 7.483 13.165
877 1HG GLU 116 2HG GLU 116 18.995 5.203 12.916
878 2HG GLU 116 1HG GLU 116 20.435 5.115 11.904
Start of MODEL 12
1 1H MET 1 1H MET 1 7.831 -2.343 13.875
2 2H MET 1 2H MET 1 8.262 -3.207 15.260
3 3H MET 1 3H MET 1 7.021 -3.775 14.266
4 HA MET 1 HA MET 1 9.889 -3.557 13.552
5 1HB MET 1 2HB MET 1 8.132 -5.981 14.032
6 2HB MET 1 1HB MET 1 9.786 -6.043 13.441
7 1HG MET 1 2HG MET 1 10.531 -4.966 15.545
8 2HG MET 1 1HG MET 1 8.872 -5.056 16.134
9 1HE MET 1 1HE MET 1 7.963 -7.881 14.894
10 2HE MET 1 2HE MET 1 7.579 -7.395 16.546
11 3HE MET 1 3HE MET 1 8.317 -8.966 16.238
12 H THR 2 H THR 2 10.241 -3.260 11.454
13 HA THR 2 HA THR 2 10.035 -3.136 9.204
14 HB THR 2 HB THR 2 9.180 -5.103 7.987
15 HG1 THR 2 HG1 THR 2 7.616 -5.475 10.006
16 1HG2 THR 2 1HG2 THR 2 11.467 -5.124 8.878
17 2HG2 THR 2 2HG2 THR 2 10.761 -6.739 8.894
18 3HG2 THR 2 3HG2 THR 2 10.875 -5.813 10.390
19 H LEU 3 H LEU 3 8.890 -1.919 7.848
20 HA LEU 3 HA LEU 3 5.934 -1.946 8.021
21 1HB LEU 3 2HB LEU 3 7.667 0.482 7.494
22 2HB LEU 3 1HB LEU 3 5.915 0.457 7.589
23 HG LEU 3 HG LEU 3 7.839 -0.044 9.866
24 1HD1 LEU 3 1HD1 LEU 3 6.916 2.030 10.788
25 2HD1 LEU 3 2HD1 LEU 3 5.941 2.241 9.333
26 3HD1 LEU 3 3HD1 LEU 3 7.701 2.300 9.231
27 1HD2 LEU 3 1HD2 LEU 3 5.828 -0.115 11.287
28 2HD2 LEU 3 2HD2 LEU 3 5.878 -1.444 10.131
29 3HD2 LEU 3 3HD2 LEU 3 4.819 -0.064 9.840
30 H ILE 4 H ILE 4 4.777 -1.606 6.074
31 HA ILE 4 HA ILE 4 6.392 -1.494 3.597
32 HB ILE 4 HB ILE 4 4.689 -2.835 2.420
33 1HG1 ILE 4 2HG1 ILE 4 2.868 -2.330 4.197
34 2HG1 ILE 4 1HG1 ILE 4 2.887 -3.923 3.453
35 1HG2 ILE 4 1HG2 ILE 4 6.707 -3.907 3.217
36 2HG2 ILE 4 2HG2 ILE 4 5.345 -5.020 3.332
37 3HG2 ILE 4 3HG2 ILE 4 5.956 -4.222 4.782
38 1HD1 ILE 4 1HD1 ILE 4 3.985 -3.228 6.172
39 2HD1 ILE 4 2HD1 ILE 4 4.001 -4.829 5.432
40 3HD1 ILE 4 3HD1 ILE 4 2.467 -4.061 5.837
41 H TYR 5 H TYR 5 5.426 -0.392 1.792
42 HA TYR 5 HA TYR 5 3.301 1.507 2.571
43 1HB TYR 5 2HB TYR 5 5.888 2.237 1.169
44 2HB TYR 5 1HB TYR 5 4.576 3.345 1.553
45 HD1 TYR 5 HD2 TYR 5 4.217 4.103 3.852
46 HD2 TYR 5 HD1 TYR 5 7.405 1.443 2.901
47 HE1 TYR 5 HE2 TYR 5 5.250 4.564 6.034
48 HE2 TYR 5 HE1 TYR 5 8.440 1.899 5.083
49 HH TYR 5 HH TYR 5 6.829 3.411 7.604
50 H LYS 6 H LYS 6 1.858 2.080 1.007
51 HA LYS 6 HA LYS 6 2.471 1.446 -1.808
52 1HB LYS 6 2HB LYS 6 0.999 -0.334 -0.999
53 2HB LYS 6 1HB LYS 6 -0.155 0.858 -0.413
54 1HG LYS 6 2HG LYS 6 -0.494 1.628 -2.741
55 2HG LYS 6 1HG LYS 6 0.595 0.356 -3.295
56 1HD LYS 6 2HD LYS 6 -1.974 -0.108 -1.766
57 2HD LYS 6 1HD LYS 6 -1.808 -0.233 -3.516
58 1HE LYS 6 2HE LYS 6 -0.323 -1.906 -1.486
59 2HE LYS 6 1HE LYS 6 -1.724 -2.428 -2.417
60 1HZ LYS 6 1HZ LYS 6 0.897 -1.632 -3.564
61 2HZ LYS 6 2HZ LYS 6 -0.452 -2.149 -4.446
62 3HZ LYS 6 3HZ LYS 6 0.334 -3.216 -3.401
63 H ILE 7 H ILE 7 2.138 3.133 -3.138
64 HA ILE 7 HA ILE 7 0.686 5.475 -2.104
65 HB ILE 7 HB ILE 7 2.609 5.301 -4.445
66 1HG1 ILE 7 2HG1 ILE 7 4.027 6.799 -2.907
67 2HG1 ILE 7 1HG1 ILE 7 2.967 6.282 -1.601
68 1HG2 ILE 7 1HG2 ILE 7 0.952 7.044 -4.792
69 2HG2 ILE 7 2HG2 ILE 7 2.524 7.760 -4.441
70 3HG2 ILE 7 3HG2 ILE 7 1.280 7.709 -3.191
71 1HD1 ILE 7 1HD1 ILE 7 5.012 4.993 -1.626
72 2HD1 ILE 7 2HD1 ILE 7 4.712 4.501 -3.292
73 3HD1 ILE 7 3HD1 ILE 7 3.636 3.958 -2.003
74 H LEU 8 H LEU 8 -1.204 6.118 -2.975
75 HA LEU 8 HA LEU 8 -1.878 5.550 -5.741
76 1HB LEU 8 2HB LEU 8 -3.895 4.337 -5.344
77 2HB LEU 8 1HB LEU 8 -2.605 3.502 -4.504
78 HG LEU 8 HG LEU 8 -4.628 5.328 -3.179
79 1HD1 LEU 8 1HD1 LEU 8 -5.684 3.301 -4.032
80 2HD1 LEU 8 2HD1 LEU 8 -5.609 3.281 -2.271
81 3HD1 LEU 8 3HD1 LEU 8 -4.474 2.312 -3.212
82 1HD2 LEU 8 1HD2 LEU 8 -2.489 5.242 -1.983
83 2HD2 LEU 8 2HD2 LEU 8 -2.570 3.479 -1.962
84 3HD2 LEU 8 3HD2 LEU 8 -3.768 4.428 -1.082
85 H SER 9 H SER 9 -4.042 6.583 -6.329
86 HA SER 9 HA SER 9 -4.178 9.211 -5.127
87 1HB SER 9 2HB SER 9 -5.730 9.778 -6.862
88 2HB SER 9 1HB SER 9 -4.505 8.752 -7.606
89 HG SER 9 HG SER 9 -5.926 7.093 -7.703
90 H ARG 10 H ARG 10 -5.898 10.080 -3.897
91 HA ARG 10 HA ARG 10 -7.149 8.274 -2.151
92 1HB ARG 10 2HB ARG 10 -6.693 10.605 -1.516
93 2HB ARG 10 1HB ARG 10 -7.936 11.155 -2.639
94 1HG ARG 10 2HG ARG 10 -9.645 9.991 -1.377
95 2HG ARG 10 1HG ARG 10 -8.428 9.311 -0.301
96 1HD ARG 10 2HD ARG 10 -7.918 11.492 0.581
97 2HD ARG 10 1HD ARG 10 -8.983 12.258 -0.596
98 HE ARG 10 HE ARG 10 -10.481 10.393 0.851
99 1HH1 ARG 10 1HH1 ARG 10 -8.876 13.390 1.409
100 2HH1 ARG 10 2HH1 ARG 10 -9.952 13.856 2.676
101 1HH2 ARG 10 1HH2 ARG 10 -11.864 11.006 2.462
102 2HH2 ARG 10 2HH2 ARG 10 -11.640 12.530 3.252
103 H ALA 11 H ALA 11 -8.257 9.534 -5.215
104 HA ALA 11 HA ALA 11 -10.996 9.004 -5.029
105 1HB ALA 11 1HB ALA 11 -10.979 8.819 -7.465
106 2HB ALA 11 2HB ALA 11 -9.220 8.678 -7.451
107 3HB ALA 11 3HB ALA 11 -9.990 10.176 -6.926
108 H GLU 12 H GLU 12 -8.286 6.822 -5.540
109 HA GLU 12 HA GLU 12 -10.029 4.507 -5.886
110 1HB GLU 12 2HB GLU 12 -7.985 4.632 -7.210
111 2HB GLU 12 1HB GLU 12 -7.013 4.763 -5.752
112 1HG GLU 12 2HG GLU 12 -7.567 2.505 -5.119
113 2HG GLU 12 1HG GLU 12 -8.688 2.361 -6.474
114 H TRP 13 H TRP 13 -7.947 5.940 -3.439
115 HA TRP 13 HA TRP 13 -7.966 3.861 -1.546
116 1HB TRP 13 2HB TRP 13 -6.405 5.688 -1.347
117 2HB TRP 13 1HB TRP 13 -7.711 6.856 -1.203
118 HD1 TRP 13 HD1 TRP 13 -7.514 7.785 1.181
119 HE1 TRP 13 HE1 TRP 13 -7.346 6.763 3.544
120 HE3 TRP 13 HE3 TRP 13 -7.117 2.830 -0.077
121 HZ2 TRP 13 HZ2 TRP 13 -7.097 4.211 4.713
122 HZ3 TRP 13 HZ3 TRP 13 -6.926 1.169 1.725
123 HH2 TRP 13 HH2 TRP 13 -6.916 1.845 4.070
124 H ASP 14 H ASP 14 -10.058 6.774 -1.647
125 HA ASP 14 HA ASP 14 -11.757 6.053 0.443
126 1HB ASP 14 2HB ASP 14 -12.026 7.892 -1.905
127 2HB ASP 14 1HB ASP 14 -13.442 7.559 -0.911
128 H ALA 15 H ALA 15 -11.832 5.056 -2.948
129 HA ALA 15 HA ALA 15 -14.322 3.776 -2.991
130 1HB ALA 15 1HB ALA 15 -13.377 2.300 -4.719
131 2HB ALA 15 2HB ALA 15 -11.758 2.882 -4.327
132 3HB ALA 15 3HB ALA 15 -12.955 3.989 -5.001
133 H ALA 16 H ALA 16 -11.148 2.481 -2.030
134 HA ALA 16 HA ALA 16 -11.979 -0.058 -1.191
135 1HB ALA 16 1HB ALA 16 -9.895 -0.149 0.062
136 2HB ALA 16 2HB ALA 16 -9.714 1.600 -0.084
137 3HB ALA 16 3HB ALA 16 -9.634 0.584 -1.522
138 H LYS 17 H LYS 17 -11.602 2.935 0.741
139 HA LYS 17 HA LYS 17 -12.430 1.827 3.196
140 1HB LYS 17 2HB LYS 17 -12.520 4.688 2.222
141 2HB LYS 17 1HB LYS 17 -12.881 4.207 3.876
142 1HG LYS 17 2HG LYS 17 -10.580 3.180 3.965
143 2HG LYS 17 1HG LYS 17 -10.254 3.966 2.419
144 1HD LYS 17 2HD LYS 17 -11.083 5.391 4.958
145 2HD LYS 17 1HD LYS 17 -9.427 5.268 4.364
146 1HE LYS 17 2HE LYS 17 -10.104 6.459 2.310
147 2HE LYS 17 1HE LYS 17 -11.736 6.620 2.959
148 1HZ LYS 17 1HZ LYS 17 -10.835 7.915 4.793
149 2HZ LYS 17 2HZ LYS 17 -10.450 8.627 3.310
150 3HZ LYS 17 3HZ LYS 17 -9.273 7.764 4.166
151 H ALA 18 H ALA 18 -14.302 3.149 0.526
152 HA ALA 18 HA ALA 18 -16.823 3.070 1.891
153 1HB ALA 18 1HB ALA 18 -17.808 3.370 -0.334
154 2HB ALA 18 2HB ALA 18 -16.230 3.086 -1.072
155 3HB ALA 18 3HB ALA 18 -16.487 4.503 -0.055
156 H GLN 19 H GLN 19 -15.020 0.849 -0.156
157 HA GLN 19 HA GLN 19 -17.011 -1.186 -0.346
158 1HB GLN 19 2HB GLN 19 -14.014 -1.190 -0.762
159 2HB GLN 19 1HB GLN 19 -15.018 -2.608 -1.045
160 1HG GLN 19 2HG GLN 19 -16.125 -1.605 -2.846
161 2HG GLN 19 1HG GLN 19 -15.577 0.008 -2.404
162 1HE2 GLN 19 1HE2 GLN 19 -13.373 -2.699 -2.382
163 2HE2 GLN 19 2HE2 GLN 19 -12.479 -2.228 -3.778
164 H GLY 20 H GLY 20 -14.684 -0.334 2.073
165 1HA GLY 20 2HA GLY 20 -14.511 -1.195 4.246
166 2HA GLY 20 1HA GLY 20 -15.521 -2.554 3.771
167 H ARG 21 H ARG 21 -13.552 -2.656 1.328
168 HA ARG 21 HA ARG 21 -11.299 -3.971 2.676
169 1HB ARG 21 2HB ARG 21 -13.147 -5.635 2.217
170 2HB ARG 21 1HB ARG 21 -12.899 -5.336 0.501
171 1HG ARG 21 2HG ARG 21 -10.637 -6.176 0.639
172 2HG ARG 21 1HG ARG 21 -10.782 -6.367 2.387
173 1HD ARG 21 2HD ARG 21 -12.762 -7.914 1.851
174 2HD ARG 21 1HD ARG 21 -12.137 -7.925 0.203
175 HE ARG 21 HE ARG 21 -9.983 -8.574 1.751
176 1HH1 ARG 21 1HH1 ARG 21 -13.157 -9.843 1.381
177 2HH1 ARG 21 2HH1 ARG 21 -12.676 -11.462 1.754
178 1HH2 ARG 21 1HH2 ARG 21 -9.384 -10.663 2.297
179 2HH2 ARG 21 2HH2 ARG 21 -10.583 -11.909 2.307
180 H PHE 22 H PHE 22 -9.419 -4.099 1.468
181 HA PHE 22 HA PHE 22 -9.392 -2.670 -1.112
182 1HB PHE 22 2HB PHE 22 -8.256 -1.445 0.710
183 2HB PHE 22 1HB PHE 22 -7.205 -2.827 0.984
184 HD1 PHE 22 HD2 PHE 22 -8.251 -0.599 -1.834
185 HD2 PHE 22 HD1 PHE 22 -5.079 -2.725 0.064
186 HE1 PHE 22 HE2 PHE 22 -6.656 0.327 -3.464
187 HE2 PHE 22 HE1 PHE 22 -3.487 -1.799 -1.563
188 HZ PHE 22 HZ PHE 22 -4.273 -0.275 -3.328
189 H GLU 23 H GLU 23 -9.709 -4.643 -2.294
190 HA GLU 23 HA GLU 23 -7.991 -6.882 -2.105
191 1HB GLU 23 2HB GLU 23 -9.521 -5.906 -4.531
192 2HB GLU 23 1HB GLU 23 -8.810 -7.502 -4.345
193 1HG GLU 23 2HG GLU 23 -11.000 -7.931 -3.830
194 2HG GLU 23 1HG GLU 23 -10.332 -7.637 -2.227
195 H GLY 24 H GLY 24 -7.433 -3.760 -3.322
196 1HA GLY 24 2HA GLY 24 -4.905 -3.472 -3.581
197 2HA GLY 24 1HA GLY 24 -5.082 -4.658 -4.865
198 H SER 25 H SER 25 -3.936 -2.400 -5.621
199 HA SER 25 HA SER 25 -5.784 -0.437 -6.628
200 1HB SER 25 2HB SER 25 -3.866 0.486 -7.803
201 2HB SER 25 1HB SER 25 -3.353 0.028 -6.179
202 HG SER 25 HG SER 25 -2.014 -1.350 -7.017
203 H ALA 26 H ALA 26 -5.486 0.013 -9.190
204 HA ALA 26 HA ALA 26 -6.693 -1.996 -10.687
205 1HB ALA 26 1HB ALA 26 -5.993 -0.771 -12.672
206 2HB ALA 26 2HB ALA 26 -4.799 0.120 -11.727
207 3HB ALA 26 3HB ALA 26 -6.519 0.353 -11.418
208 H VAL 27 H VAL 27 -3.295 -1.430 -10.014
209 HA VAL 27 HA VAL 27 -2.316 -3.456 -11.812
210 HB VAL 27 HB VAL 27 -0.871 -2.053 -9.547
211 1HG1 VAL 27 1HG1 VAL 27 1.183 -2.712 -10.719
212 2HG1 VAL 27 2HG1 VAL 27 0.226 -3.589 -11.913
213 3HG1 VAL 27 3HG1 VAL 27 0.243 -4.124 -10.232
214 1HG2 VAL 27 1HG2 VAL 27 -0.985 -1.371 -12.493
215 2HG2 VAL 27 2HG2 VAL 27 0.039 -0.578 -11.295
216 3HG2 VAL 27 3HG2 VAL 27 -1.716 -0.447 -11.180
217 H ASP 28 H ASP 28 -2.509 -3.207 -8.235
218 HA ASP 28 HA ASP 28 -1.550 -5.772 -7.653
219 1HB ASP 28 2HB ASP 28 -3.598 -4.182 -6.089
220 2HB ASP 28 1HB ASP 28 -2.667 -5.541 -5.474
221 H LEU 29 H LEU 29 -4.872 -4.680 -8.283
222 HA LEU 29 HA LEU 29 -6.104 -7.201 -7.827
223 1HB LEU 29 2HB LEU 29 -7.309 -5.043 -7.731
224 2HB LEU 29 1HB LEU 29 -7.097 -4.860 -9.461
225 HG LEU 29 HG LEU 29 -8.485 -6.878 -9.835
226 1HD1 LEU 29 1HD1 LEU 29 -9.780 -7.820 -7.975
227 2HD1 LEU 29 2HD1 LEU 29 -8.885 -6.806 -6.842
228 3HD1 LEU 29 3HD1 LEU 29 -8.047 -8.060 -7.758
229 1HD2 LEU 29 1HD2 LEU 29 -9.805 -4.748 -8.143
230 2HD2 LEU 29 2HD2 LEU 29 -10.634 -5.867 -9.226
231 3HD2 LEU 29 3HD2 LEU 29 -9.521 -4.669 -9.883
232 H ALA 30 H ALA 30 -4.789 -5.624 -10.728
233 HA ALA 30 HA ALA 30 -5.653 -7.446 -12.676
234 1HB ALA 30 1HB ALA 30 -3.733 -6.697 -14.005
235 2HB ALA 30 2HB ALA 30 -3.027 -5.951 -12.570
236 3HB ALA 30 3HB ALA 30 -4.542 -5.335 -13.227
237 H ASP 31 H ASP 31 -2.577 -7.464 -10.849
238 HA ASP 31 HA ASP 31 -1.785 -10.072 -11.639
239 1HB ASP 31 2HB ASP 31 -1.017 -8.365 -9.259
240 2HB ASP 31 1HB ASP 31 -0.254 -9.908 -9.632
241 H GLY 32 H GLY 32 -3.781 -8.873 -9.009
242 1HA GLY 32 2HA GLY 32 -5.385 -10.166 -7.831
243 2HA GLY 32 1HA GLY 32 -4.496 -11.623 -8.254
244 H PHE 33 H PHE 33 -1.929 -10.764 -7.458
245 HA PHE 33 HA PHE 33 -2.217 -10.962 -4.543
246 1HB PHE 33 2HB PHE 33 0.246 -11.420 -6.252
247 2HB PHE 33 1HB PHE 33 0.066 -11.808 -4.543
248 HD1 PHE 33 HD1 PHE 33 -1.478 -13.644 -3.849
249 HD2 PHE 33 HD2 PHE 33 -0.550 -12.897 -7.944
250 HE1 PHE 33 HE1 PHE 33 -2.319 -15.876 -4.447
251 HE2 PHE 33 HE2 PHE 33 -1.387 -15.132 -8.540
252 HZ PHE 33 HZ PHE 33 -2.274 -16.624 -6.792
253 H ILE 34 H ILE 34 -1.882 -9.212 -3.322
254 HA ILE 34 HA ILE 34 -1.327 -6.696 -4.484
255 HB ILE 34 HB ILE 34 -1.405 -7.454 -1.556
256 1HG1 ILE 34 2HG1 ILE 34 -3.569 -6.340 -3.366
257 2HG1 ILE 34 1HG1 ILE 34 -3.486 -7.996 -2.776
258 1HG2 ILE 34 1HG2 ILE 34 -1.610 -4.745 -2.878
259 2HG2 ILE 34 2HG2 ILE 34 -0.280 -5.322 -1.872
260 3HG2 ILE 34 3HG2 ILE 34 -1.874 -5.066 -1.164
261 1HD1 ILE 34 1HD1 ILE 34 -5.096 -6.703 -1.512
262 2HD1 ILE 34 2HD1 ILE 34 -3.853 -5.526 -1.091
263 3HD1 ILE 34 3HD1 ILE 34 -3.747 -7.177 -0.479
264 H HIS 35 H HIS 35 0.534 -5.780 -4.970
265 HA HIS 35 HA HIS 35 3.066 -6.721 -3.900
266 1HB HIS 35 2HB HIS 35 2.476 -4.418 -5.789
267 2HB HIS 35 1HB HIS 35 4.074 -5.052 -5.415
268 HD1 HIS 35 HD1 HIS 35 4.915 -6.893 -6.881
269 HD2 HIS 35 HD2 HIS 35 0.817 -6.315 -7.269
270 HE1 HIS 35 HE1 HIS 35 4.210 -8.345 -8.797
271 HE2 HIS 35 HE2 HIS 35 1.767 -7.855 -9.116
272 H LEU 36 H LEU 36 4.042 -5.879 -2.129
273 HA LEU 36 HA LEU 36 3.128 -3.248 -1.159
274 1HB LEU 36 2HB LEU 36 4.193 -5.590 0.415
275 2HB LEU 36 1HB LEU 36 3.803 -4.023 1.101
276 HG LEU 36 HG LEU 36 1.824 -5.890 -0.224
277 1HD1 LEU 36 1HD1 LEU 36 2.225 -5.217 2.691
278 2HD1 LEU 36 2HD1 LEU 36 2.593 -6.758 1.917
279 3HD1 LEU 36 3HD1 LEU 36 0.923 -6.206 2.030
280 1HD2 LEU 36 1HD2 LEU 36 0.123 -4.334 0.613
281 2HD2 LEU 36 2HD2 LEU 36 1.216 -3.543 -0.522
282 3HD2 LEU 36 3HD2 LEU 36 1.391 -3.264 1.211
283 H SER 37 H SER 37 5.983 -5.313 -0.736
284 HA SER 37 HA SER 37 8.222 -4.921 -0.965
285 1HB SER 37 2HB SER 37 7.460 -2.244 -2.173
286 2HB SER 37 1HB SER 37 9.058 -2.987 -2.222
287 HG SER 37 HG SER 37 6.819 -3.494 -3.739
288 H ALA 38 H ALA 38 9.970 -3.786 0.092
289 HA ALA 38 HA ALA 38 9.150 -2.745 2.651
290 1HB ALA 38 1HB ALA 38 11.933 -3.111 1.539
291 2HB ALA 38 2HB ALA 38 11.017 -4.326 2.431
292 3HB ALA 38 3HB ALA 38 11.506 -2.831 3.228
293 H GLY 39 H GLY 39 10.946 -0.904 3.435
294 1HA GLY 39 2HA GLY 39 9.763 1.487 2.672
295 2HA GLY 39 1HA GLY 39 11.300 1.362 3.504
296 H GLU 40 H GLU 40 13.181 0.694 1.904
297 HA GLU 40 HA GLU 40 13.563 2.807 0.116
298 1HB GLU 40 2HB GLU 40 14.932 0.107 0.175
299 2HB GLU 40 1HB GLU 40 15.462 1.453 -0.821
300 1HG GLU 40 2HG GLU 40 16.855 1.439 1.079
301 2HG GLU 40 1HG GLU 40 15.739 2.783 1.300
302 H GLN 41 H GLN 41 12.611 -0.543 -0.567
303 HA GLN 41 HA GLN 41 12.542 -0.422 -3.356
304 1HB GLN 41 2HB GLN 41 10.586 -2.034 -1.709
305 2HB GLN 41 1HB GLN 41 11.260 -2.428 -3.285
306 1HG GLN 41 2HG GLN 41 13.472 -2.724 -2.242
307 2HG GLN 41 1HG GLN 41 12.758 -2.379 -0.669
308 1HE2 GLN 41 1HE2 GLN 41 13.123 -4.727 -3.183
309 2HE2 GLN 41 2HE2 GLN 41 12.391 -6.039 -2.332
310 H ALA 42 H ALA 42 10.148 0.546 -0.962
311 HA ALA 42 HA ALA 42 7.998 1.005 -2.760
312 1HB ALA 42 1HB ALA 42 7.656 0.647 -0.359
313 2HB ALA 42 2HB ALA 42 6.929 2.161 -0.896
314 3HB ALA 42 3HB ALA 42 8.457 2.181 -0.015
315 H GLN 43 H GLN 43 10.365 3.255 -1.256
316 HA GLN 43 HA GLN 43 9.319 5.575 -2.513
317 1HB GLN 43 2HB GLN 43 10.706 5.756 -0.515
318 2HB GLN 43 1HB GLN 43 12.087 5.095 -1.380
319 1HG GLN 43 2HG GLN 43 12.214 7.046 -2.788
320 2HG GLN 43 1HG GLN 43 10.713 7.679 -2.117
321 1HE2 GLN 43 1HE2 GLN 43 10.768 8.776 -0.162
322 2HE2 GLN 43 2HE2 GLN 43 12.238 9.137 0.667
323 H GLU 44 H GLU 44 11.823 3.267 -3.511
324 HA GLU 44 HA GLU 44 12.705 4.670 -5.804
325 1HB GLU 44 2HB GLU 44 12.621 1.679 -5.311
326 2HB GLU 44 1HB GLU 44 13.478 2.450 -6.638
327 1HG GLU 44 2HG GLU 44 14.848 3.676 -4.950
328 2HG GLU 44 1HG GLU 44 14.068 2.713 -3.695
329 H THR 45 H THR 45 10.266 2.064 -5.514
330 HA THR 45 HA THR 45 9.339 2.153 -8.172
331 HB THR 45 HB THR 45 7.719 1.484 -5.693
332 HG1 THR 45 HG1 THR 45 9.271 -0.025 -5.698
333 1HG2 THR 45 1HG2 THR 45 7.260 0.738 -8.592
334 2HG2 THR 45 2HG2 THR 45 6.307 1.898 -7.666
335 3HG2 THR 45 3HG2 THR 45 6.297 0.191 -7.220
336 H ALA 46 H ALA 46 8.398 3.990 -5.311
337 HA ALA 46 HA ALA 46 6.184 5.339 -6.380
338 1HB ALA 46 1HB ALA 46 8.081 6.352 -4.261
339 2HB ALA 46 2HB ALA 46 6.748 5.233 -3.974
340 3HB ALA 46 3HB ALA 46 6.418 6.873 -4.532
341 H ALA 47 H ALA 47 9.619 6.309 -6.241
342 HA ALA 47 HA ALA 47 9.420 8.873 -7.294
343 1HB ALA 47 1HB ALA 47 11.471 7.935 -6.325
344 2HB ALA 47 2HB ALA 47 11.770 8.641 -7.913
345 3HB ALA 47 3HB ALA 47 11.658 6.889 -7.734
346 H LYS 48 H LYS 48 9.618 5.792 -8.999
347 HA LYS 48 HA LYS 48 9.787 7.034 -11.596
348 1HB LYS 48 2HB LYS 48 9.510 4.127 -10.810
349 2HB LYS 48 1HB LYS 48 9.964 4.739 -12.387
350 1HG LYS 48 2HG LYS 48 12.028 5.645 -11.490
351 2HG LYS 48 1HG LYS 48 11.563 5.136 -9.865
352 1HD LYS 48 2HD LYS 48 11.563 2.782 -10.636
353 2HD LYS 48 1HD LYS 48 12.104 3.324 -12.226
354 1HE LYS 48 2HE LYS 48 13.598 3.682 -9.623
355 2HE LYS 48 1HE LYS 48 13.975 2.503 -10.878
356 1HZ LYS 48 1HZ LYS 48 14.412 4.346 -12.401
357 2HZ LYS 48 2HZ LYS 48 15.416 4.414 -11.042
358 3HZ LYS 48 3HZ LYS 48 14.093 5.459 -11.166
359 H TRP 49 H TRP 49 7.328 5.290 -9.700
360 HA TRP 49 HA TRP 49 5.572 5.290 -12.070
361 1HB TRP 49 2HB TRP 49 5.586 3.351 -9.754
362 2HB TRP 49 1HB TRP 49 4.534 3.267 -11.164
363 HD1 TRP 49 HD1 TRP 49 7.761 1.984 -9.916
364 HE1 TRP 49 HE1 TRP 49 9.101 0.866 -11.811
365 HE3 TRP 49 HE3 TRP 49 5.071 3.686 -13.920
366 HZ2 TRP 49 HZ2 TRP 49 9.028 0.731 -14.629
367 HZ3 TRP 49 HZ3 TRP 49 5.776 3.017 -16.182
368 HH2 TRP 49 HH2 TRP 49 7.714 1.571 -16.528
369 H PHE 50 H PHE 50 5.759 6.855 -9.087
370 HA PHE 50 HA PHE 50 2.876 7.353 -9.109
371 1HB PHE 50 2HB PHE 50 4.327 6.190 -6.743
372 2HB PHE 50 1HB PHE 50 2.794 7.037 -6.581
373 HD1 PHE 50 HD2 PHE 50 0.850 6.179 -8.070
374 HD2 PHE 50 HD1 PHE 50 4.326 3.898 -7.131
375 HE1 PHE 50 HE2 PHE 50 -0.371 4.105 -8.591
376 HE2 PHE 50 HE1 PHE 50 3.110 1.824 -7.652
377 HZ PHE 50 HZ PHE 50 0.758 1.926 -8.381
378 H ARG 51 H ARG 51 5.541 8.064 -6.866
379 HA ARG 51 HA ARG 51 4.477 10.483 -5.996
380 1HB ARG 51 2HB ARG 51 7.225 9.288 -5.846
381 2HB ARG 51 1HB ARG 51 6.912 10.896 -5.228
382 1HG ARG 51 2HG ARG 51 5.576 8.354 -4.319
383 2HG ARG 51 1HG ARG 51 6.805 9.266 -3.442
384 1HD ARG 51 2HD ARG 51 5.206 11.221 -3.451
385 2HD ARG 51 1HD ARG 51 3.981 10.120 -4.083
386 HE ARG 51 HE ARG 51 5.283 9.313 -1.617
387 1HH1 ARG 51 1HH1 ARG 51 2.548 10.832 -3.063
388 2HH1 ARG 51 2HH1 ARG 51 1.558 10.631 -1.661
389 1HH2 ARG 51 1HH2 ARG 51 4.020 9.108 0.183
390 2HH2 ARG 51 2HH2 ARG 51 2.392 9.684 0.160
391 H GLY 52 H GLY 52 3.885 11.781 -7.677
392 1HA GLY 52 2HA GLY 52 5.731 13.803 -8.375
393 2HA GLY 52 1HA GLY 52 5.480 12.750 -9.762
394 H GLN 53 H GLN 53 2.978 13.393 -7.399
395 HA GLN 53 HA GLN 53 1.586 15.369 -8.899
396 1HB GLN 53 2HB GLN 53 -0.327 13.922 -9.634
397 2HB GLN 53 1HB GLN 53 1.170 13.645 -10.510
398 1HG GLN 53 2HG GLN 53 1.590 11.634 -9.193
399 2HG GLN 53 1HG GLN 53 0.118 11.923 -8.267
400 1HE2 GLN 53 1HE2 GLN 53 -0.737 9.926 -8.907
401 2HE2 GLN 53 2HE2 GLN 53 -1.339 9.655 -10.498
402 H ALA 54 H ALA 54 -0.908 15.296 -8.183
403 HA ALA 54 HA ALA 54 -0.731 15.546 -5.287
404 1HB ALA 54 1HB ALA 54 -2.813 16.806 -5.471
405 2HB ALA 54 2HB ALA 54 -2.933 16.378 -7.179
406 3HB ALA 54 3HB ALA 54 -1.610 17.400 -6.618
407 H ASN 55 H ASN 55 -2.628 14.970 -3.931
408 HA ASN 55 HA ASN 55 -4.176 13.582 -3.037
409 1HB ASN 55 2HB ASN 55 -4.727 12.905 -5.933
410 2HB ASN 55 1HB ASN 55 -5.723 12.367 -4.584
411 1HD2 ASN 55 1HD2 ASN 55 -6.432 14.042 -6.833
412 2HD2 ASN 55 2HD2 ASN 55 -6.990 15.537 -6.168
413 H LEU 56 H LEU 56 -1.382 12.587 -3.769
414 HA LEU 56 HA LEU 56 -1.770 9.731 -4.096
415 1HB LEU 56 2HB LEU 56 0.749 11.318 -3.594
416 2HB LEU 56 1HB LEU 56 0.686 9.604 -3.966
417 HG LEU 56 HG LEU 56 -0.082 11.883 -5.790
418 1HD1 LEU 56 1HD1 LEU 56 1.753 11.005 -7.175
419 2HD1 LEU 56 2HD1 LEU 56 2.123 9.827 -5.917
420 3HD1 LEU 56 3HD1 LEU 56 2.308 11.551 -5.593
421 1HD2 LEU 56 1HD2 LEU 56 -0.300 8.906 -6.263
422 2HD2 LEU 56 2HD2 LEU 56 -0.554 10.163 -7.474
423 3HD2 LEU 56 3HD2 LEU 56 -1.645 10.038 -6.095
424 H VAL 57 H VAL 57 -2.829 9.004 -2.283
425 HA VAL 57 HA VAL 57 -1.984 9.529 0.392
426 HB VAL 57 HB VAL 57 -3.699 7.257 -0.653
427 1HG1 VAL 57 1HG1 VAL 57 -4.562 7.118 1.644
428 2HG1 VAL 57 2HG1 VAL 57 -3.411 8.355 2.151
429 3HG1 VAL 57 3HG1 VAL 57 -2.831 6.790 1.581
430 1HG2 VAL 57 1HG2 VAL 57 -4.510 9.957 0.440
431 2HG2 VAL 57 2HG2 VAL 57 -5.612 8.652 -0.003
432 3HG2 VAL 57 3HG2 VAL 57 -4.631 9.436 -1.241
433 H LEU 58 H LEU 58 -0.692 8.358 1.741
434 HA LEU 58 HA LEU 58 0.918 6.209 0.532
435 1HB LEU 58 2HB LEU 58 2.177 8.197 1.215
436 2HB LEU 58 1HB LEU 58 1.534 8.061 2.841
437 HG LEU 58 HG LEU 58 2.728 5.899 3.110
438 1HD1 LEU 58 1HD1 LEU 58 2.835 5.210 0.784
439 2HD1 LEU 58 2HD1 LEU 58 4.452 5.272 1.484
440 3HD1 LEU 58 3HD1 LEU 58 3.905 6.561 0.412
441 1HD2 LEU 58 1HD2 LEU 58 4.978 6.849 3.292
442 2HD2 LEU 58 2HD2 LEU 58 3.754 7.961 3.903
443 3HD2 LEU 58 3HD2 LEU 58 4.477 8.230 2.316
444 H LEU 59 H LEU 59 -0.176 4.356 1.039
445 HA LEU 59 HA LEU 59 -1.360 3.917 3.618
446 1HB LEU 59 2HB LEU 59 -0.758 1.931 1.420
447 2HB LEU 59 1HB LEU 59 -1.777 1.640 2.820
448 HG LEU 59 HG LEU 59 -2.334 3.568 0.557
449 1HD1 LEU 59 1HD1 LEU 59 -3.723 1.024 1.403
450 2HD1 LEU 59 2HD1 LEU 59 -2.722 1.242 -0.034
451 3HD1 LEU 59 3HD1 LEU 59 -4.251 2.108 0.116
452 1HD2 LEU 59 1HD2 LEU 59 -4.471 4.008 1.683
453 2HD2 LEU 59 2HD2 LEU 59 -3.099 4.527 2.660
454 3HD2 LEU 59 3HD2 LEU 59 -3.949 3.032 3.056
455 H ALA 60 H ALA 60 -0.055 3.788 5.316
456 HA ALA 60 HA ALA 60 2.428 2.215 5.155
457 1HB ALA 60 1HB ALA 60 2.700 4.511 5.935
458 2HB ALA 60 2HB ALA 60 3.082 3.370 7.225
459 3HB ALA 60 3HB ALA 60 1.539 4.225 7.231
460 H VAL 61 H VAL 61 1.928 0.128 5.568
461 HA VAL 61 HA VAL 61 0.161 -0.494 7.850
462 HB VAL 61 HB VAL 61 1.067 -2.333 5.617
463 1HG1 VAL 61 1HG1 VAL 61 -0.655 -3.860 6.432
464 2HG1 VAL 61 2HG1 VAL 61 -1.061 -2.734 7.728
465 3HG1 VAL 61 3HG1 VAL 61 0.521 -3.515 7.701
466 1HG2 VAL 61 1HG2 VAL 61 -0.367 -0.568 4.740
467 2HG2 VAL 61 2HG2 VAL 61 -1.574 -0.905 5.983
468 3HG2 VAL 61 3HG2 VAL 61 -1.222 -2.111 4.744
469 H GLU 62 H GLU 62 0.889 -1.707 9.568
470 HA GLU 62 HA GLU 62 3.744 -1.946 9.903
471 1HB GLU 62 2HB GLU 62 1.733 -3.134 11.804
472 2HB GLU 62 1HB GLU 62 3.322 -2.474 12.156
473 1HG GLU 62 2HG GLU 62 0.845 -0.923 11.430
474 2HG GLU 62 1HG GLU 62 1.589 -1.031 13.020
475 H ALA 63 H ALA 63 4.870 -3.626 9.080
476 HA ALA 63 HA ALA 63 3.601 -6.176 8.497
477 1HB ALA 63 1HB ALA 63 6.469 -5.280 8.159
478 2HB ALA 63 2HB ALA 63 5.216 -5.266 6.919
479 3HB ALA 63 3HB ALA 63 5.796 -6.800 7.567
480 H GLU 64 H GLU 64 4.009 -5.187 11.304
481 HA GLU 64 HA GLU 64 6.061 -6.712 12.533
482 1HB GLU 64 2HB GLU 64 5.200 -4.595 13.442
483 2HB GLU 64 1HB GLU 64 3.663 -5.374 13.789
484 1HG GLU 64 2HG GLU 64 4.675 -6.799 15.423
485 2HG GLU 64 1HG GLU 64 6.290 -6.255 14.966
486 HA PRO 65 HA PRO 65 2.301 -9.677 13.831
487 1HB PRO 65 2HB PRO 65 0.610 -9.966 11.622
488 2HB PRO 65 1HB PRO 65 0.223 -9.089 13.105
489 1HG PRO 65 2HG PRO 65 1.205 -8.036 10.481
490 2HG PRO 65 1HG PRO 65 0.010 -7.344 11.596
491 1HD PRO 65 2HD PRO 65 2.501 -6.371 11.467
492 2HD PRO 65 1HD PRO 65 1.646 -6.493 13.020
493 H LEU 66 H LEU 66 2.406 -9.699 10.259
494 HA LEU 66 HA LEU 66 3.408 -11.062 8.745
495 1HB LEU 66 2HB LEU 66 5.329 -9.786 9.825
496 2HB LEU 66 1HB LEU 66 5.655 -11.237 10.752
497 HG LEU 66 HG LEU 66 6.041 -12.473 8.627
498 1HD1 LEU 66 1HD1 LEU 66 5.741 -9.747 7.361
499 2HD1 LEU 66 2HD1 LEU 66 4.663 -11.126 7.143
500 3HD1 LEU 66 3HD1 LEU 66 6.321 -11.201 6.547
501 1HD2 LEU 66 1HD2 LEU 66 7.922 -11.539 9.852
502 2HD2 LEU 66 2HD2 LEU 66 7.727 -9.997 9.019
503 3HD2 LEU 66 3HD2 LEU 66 8.209 -11.433 8.116
504 H GLY 67 H GLY 67 1.586 -12.574 9.817
505 1HA GLY 67 2HA GLY 67 2.818 -15.076 10.785
506 2HA GLY 67 1HA GLY 67 1.101 -14.700 10.790
507 H GLU 68 H GLU 68 -0.110 -15.670 9.251
508 HA GLU 68 HA GLU 68 1.199 -16.766 6.877
509 1HB GLU 68 2HB GLU 68 -1.135 -17.828 6.591
510 2HB GLU 68 1HB GLU 68 -0.096 -18.441 7.857
511 1HG GLU 68 2HG GLU 68 -2.255 -18.315 8.773
512 2HG GLU 68 1HG GLU 68 -1.364 -16.956 9.450
513 H ASP 69 H ASP 69 0.318 -13.908 7.558
514 HA ASP 69 HA ASP 69 -1.523 -13.290 5.400
515 1HB ASP 69 2HB ASP 69 -1.103 -10.894 6.342
516 2HB ASP 69 1HB ASP 69 -2.035 -12.043 7.296
517 H LEU 70 H LEU 70 1.584 -11.802 6.364
518 HA LEU 70 HA LEU 70 2.072 -11.136 3.546
519 1HB LEU 70 2HB LEU 70 2.063 -9.290 5.147
520 2HB LEU 70 1HB LEU 70 3.312 -10.076 6.092
521 HG LEU 70 HG LEU 70 4.895 -9.806 4.209
522 1HD1 LEU 70 1HD1 LEU 70 4.283 -8.363 2.320
523 2HD1 LEU 70 2HD1 LEU 70 2.622 -8.304 2.910
524 3HD1 LEU 70 3HD1 LEU 70 3.313 -9.833 2.368
525 1HD2 LEU 70 1HD2 LEU 70 3.557 -7.238 5.083
526 2HD2 LEU 70 2HD2 LEU 70 5.183 -7.380 4.412
527 3HD2 LEU 70 3HD2 LEU 70 4.808 -8.111 5.972
528 H LYS 71 H LYS 71 3.763 -11.942 2.409
529 HA LYS 71 HA LYS 71 5.757 -13.576 3.863
530 1HB LYS 71 2HB LYS 71 4.198 -15.013 2.619
531 2HB LYS 71 1HB LYS 71 4.565 -14.138 1.135
532 1HG LYS 71 2HG LYS 71 6.957 -14.865 1.407
533 2HG LYS 71 1HG LYS 71 6.424 -15.894 2.737
534 1HD LYS 71 2HD LYS 71 5.512 -16.053 -0.139
535 2HD LYS 71 1HD LYS 71 6.595 -17.180 0.678
536 1HE LYS 71 2HE LYS 71 4.768 -17.769 2.230
537 2HE LYS 71 1HE LYS 71 3.696 -16.674 1.355
538 1HZ LYS 71 1HZ LYS 71 4.967 -19.142 0.319
539 2HZ LYS 71 2HZ LYS 71 4.155 -18.028 -0.657
540 3HZ LYS 71 3HZ LYS 71 3.315 -18.857 0.550
541 H TRP 72 H TRP 72 7.814 -12.946 3.581
542 HA TRP 72 HA TRP 72 8.589 -11.003 1.613
543 1HB TRP 72 2HB TRP 72 10.230 -12.753 3.469
544 2HB TRP 72 1HB TRP 72 10.916 -11.502 2.438
545 HD1 TRP 72 HD1 TRP 72 8.530 -11.871 5.459
546 HE1 TRP 72 HE1 TRP 72 8.561 -9.664 6.781
547 HE3 TRP 72 HE3 TRP 72 11.462 -9.088 2.330
548 HZ2 TRP 72 HZ2 TRP 72 9.682 -7.088 6.538
549 HZ3 TRP 72 HZ3 TRP 72 11.972 -6.760 2.949
550 HH2 TRP 72 HH2 TRP 72 11.099 -5.779 5.012
551 H GLU 73 H GLU 73 8.621 -11.554 -0.502
552 HA GLU 73 HA GLU 73 9.762 -14.175 -1.253
553 1HB GLU 73 2HB GLU 73 7.327 -14.288 -1.358
554 2HB GLU 73 1HB GLU 73 7.276 -12.856 -2.372
555 1HG GLU 73 2HG GLU 73 8.893 -15.098 -3.411
556 2HG GLU 73 1HG GLU 73 7.160 -15.393 -3.294
557 H ALA 74 H ALA 74 11.121 -14.205 -3.004
558 HA ALA 74 HA ALA 74 11.523 -11.683 -4.484
559 1HB ALA 74 1HB ALA 74 13.740 -13.347 -3.280
560 2HB ALA 74 2HB ALA 74 13.175 -11.793 -2.673
561 3HB ALA 74 3HB ALA 74 13.943 -11.890 -4.256
562 H SER 75 H SER 75 10.805 -12.337 -6.454
563 HA SER 75 HA SER 75 11.141 -14.764 -7.756
564 1HB SER 75 2HB SER 75 10.837 -13.480 -9.859
565 2HB SER 75 1HB SER 75 9.696 -12.973 -8.610
566 HG SER 75 HG SER 75 10.784 -11.222 -9.756
567 H ARG 76 H ARG 76 13.255 -11.914 -7.898
568 HA ARG 76 HA ARG 76 15.256 -13.231 -9.501
569 1HB ARG 76 2HB ARG 76 16.515 -11.127 -9.233
570 2HB ARG 76 1HB ARG 76 14.861 -10.846 -9.760
571 1HG ARG 76 2HG ARG 76 14.230 -10.265 -7.460
572 2HG ARG 76 1HG ARG 76 15.896 -10.527 -6.944
573 1HD ARG 76 2HD ARG 76 15.548 -8.168 -7.240
574 2HD ARG 76 1HD ARG 76 16.616 -8.743 -8.519
575 HE ARG 76 HE ARG 76 14.289 -8.844 -9.772
576 1HH1 ARG 76 1HH1 ARG 76 15.574 -6.376 -7.738
577 2HH1 ARG 76 2HH1 ARG 76 14.701 -5.114 -8.530
578 1HH2 ARG 76 1HH2 ARG 76 13.182 -7.196 -10.797
579 2HH2 ARG 76 2HH2 ARG 76 13.374 -5.569 -10.239
580 H GLY 77 H GLY 77 14.536 -13.797 -6.395
581 1HA GLY 77 2HA GLY 77 15.740 -14.984 -4.805
582 2HA GLY 77 1HA GLY 77 17.186 -14.776 -5.778
583 H GLY 78 H GLY 78 17.999 -12.396 -5.802
584 1HA GLY 78 2HA GLY 78 18.449 -11.620 -3.062
585 2HA GLY 78 1HA GLY 78 19.110 -10.842 -4.489
586 H ALA 79 H ALA 79 17.854 -9.713 -2.019
587 HA ALA 79 HA ALA 79 16.480 -8.017 -1.384
588 1HB ALA 79 1HB ALA 79 15.643 -6.442 -3.047
589 2HB ALA 79 2HB ALA 79 16.029 -7.577 -4.341
590 3HB ALA 79 3HB ALA 79 17.324 -6.861 -3.380
591 H ARG 80 H ARG 80 14.876 -9.066 -0.308
592 HA ARG 80 HA ARG 80 12.892 -10.609 -1.773
593 1HB ARG 80 2HB ARG 80 13.144 -10.228 1.215
594 2HB ARG 80 1HB ARG 80 12.254 -11.495 0.374
595 1HG ARG 80 2HG ARG 80 14.331 -12.430 -0.479
596 2HG ARG 80 1HG ARG 80 15.247 -11.124 0.273
597 1HD ARG 80 2HD ARG 80 15.475 -12.971 1.718
598 2HD ARG 80 1HD ARG 80 14.295 -11.914 2.487
599 HE ARG 80 HE ARG 80 13.016 -13.876 0.874
600 1HH1 ARG 80 1HH1 ARG 80 14.563 -13.392 3.902
601 2HH1 ARG 80 2HH1 ARG 80 13.793 -14.750 4.642
602 1HH2 ARG 80 1HH2 ARG 80 12.034 -15.622 1.816
603 2HH2 ARG 80 2HH2 ARG 80 12.387 -16.020 3.463
604 H PHE 81 H PHE 81 11.057 -9.745 -2.457
605 HA PHE 81 HA PHE 81 10.068 -7.238 -1.345
606 1HB PHE 81 2HB PHE 81 9.060 -8.884 -3.683
607 2HB PHE 81 1HB PHE 81 8.485 -7.283 -3.244
608 HD1 PHE 81 HD2 PHE 81 11.419 -9.165 -4.491
609 HD2 PHE 81 HD1 PHE 81 9.611 -5.341 -3.989
610 HE1 PHE 81 HE2 PHE 81 13.122 -8.170 -5.961
611 HE2 PHE 81 HE1 PHE 81 11.310 -4.343 -5.463
612 HZ PHE 81 HZ PHE 81 13.068 -5.757 -6.449
613 HA PRO 82 HA PRO 82 7.141 -9.628 1.229
614 1HB PRO 82 2HB PRO 82 5.938 -7.337 2.242
615 2HB PRO 82 1HB PRO 82 7.331 -8.150 2.957
616 1HG PRO 82 2HG PRO 82 7.237 -5.733 1.206
617 2HG PRO 82 1HG PRO 82 8.289 -6.079 2.592
618 1HD PRO 82 2HD PRO 82 9.153 -6.278 0.039
619 2HD PRO 82 1HD PRO 82 9.749 -7.352 1.322
620 H HIS 83 H HIS 83 5.518 -10.513 0.089
621 HA HIS 83 HA HIS 83 3.672 -8.753 -1.408
622 1HB HIS 83 2HB HIS 83 4.410 -11.642 -1.961
623 2HB HIS 83 1HB HIS 83 3.212 -10.714 -2.859
624 HD1 HIS 83 HD1 HIS 83 6.164 -11.953 -3.741
625 HD2 HIS 83 HD2 HIS 83 4.987 -7.989 -3.328
626 HE1 HIS 83 HE1 HIS 83 7.753 -10.629 -5.151
627 HE2 HIS 83 HE2 HIS 83 6.896 -8.268 -5.046
628 H LEU 84 H LEU 84 1.523 -8.888 -1.029
629 HA LEU 84 HA LEU 84 0.645 -10.650 1.150
630 1HB LEU 84 2HB LEU 84 0.256 -8.192 1.313
631 2HB LEU 84 1HB LEU 84 -0.773 -8.292 -0.100
632 HG LEU 84 HG LEU 84 -2.315 -9.787 1.153
633 1HD1 LEU 84 1HD1 LEU 84 -2.068 -9.972 3.592
634 2HD1 LEU 84 2HD1 LEU 84 -0.496 -9.177 3.485
635 3HD1 LEU 84 3HD1 LEU 84 -0.742 -10.751 2.728
636 1HD2 LEU 84 1HD2 LEU 84 -3.264 -8.056 2.589
637 2HD2 LEU 84 2HD2 LEU 84 -2.731 -7.377 1.050
638 3HD2 LEU 84 3HD2 LEU 84 -1.758 -7.142 2.502
639 H TYR 85 H TYR 85 -0.094 -12.561 0.451
640 HA TYR 85 HA TYR 85 -1.189 -12.891 -2.213
641 1HB TYR 85 2HB TYR 85 -0.684 -14.864 0.028
642 2HB TYR 85 1HB TYR 85 -1.280 -15.313 -1.565
643 HD1 TYR 85 HD2 TYR 85 1.627 -13.849 0.230
644 HD2 TYR 85 HD1 TYR 85 0.215 -15.615 -3.380
645 HE1 TYR 85 HE2 TYR 85 3.943 -14.067 -0.566
646 HE2 TYR 85 HE1 TYR 85 2.527 -15.839 -4.181
647 HH TYR 85 HH TYR 85 4.729 -14.832 -3.787
648 H ARG 86 H ARG 86 -2.827 -11.318 -0.344
649 HA ARG 86 HA ARG 86 -5.338 -12.686 -0.702
650 1HB ARG 86 2HB ARG 86 -5.983 -12.902 1.584
651 2HB ARG 86 1HB ARG 86 -4.393 -13.637 1.442
652 1HG ARG 86 2HG ARG 86 -3.643 -11.167 2.162
653 2HG ARG 86 1HG ARG 86 -5.241 -11.201 2.905
654 1HD ARG 86 2HD ARG 86 -2.921 -13.055 3.405
655 2HD ARG 86 1HD ARG 86 -3.689 -11.951 4.541
656 HE ARG 86 HE ARG 86 -5.516 -13.912 3.569
657 1HH1 ARG 86 1HH1 ARG 86 -3.052 -13.302 5.872
658 2HH1 ARG 86 2HH1 ARG 86 -3.482 -14.645 6.866
659 1HH2 ARG 86 1HH2 ARG 86 -6.081 -15.645 4.861
660 2HH2 ARG 86 2HH2 ARG 86 -5.171 -15.948 6.304
661 HA PRO 87 HA PRO 87 -6.757 -8.473 -1.136
662 1HB PRO 87 2HB PRO 87 -9.377 -8.853 -0.260
663 2HB PRO 87 1HB PRO 87 -8.798 -9.120 -1.907
664 1HG PRO 87 2HG PRO 87 -9.232 -11.095 0.294
665 2HG PRO 87 1HG PRO 87 -9.562 -11.257 -1.441
666 1HD PRO 87 2HD PRO 87 -7.413 -12.407 -0.320
667 2HD PRO 87 1HD PRO 87 -7.333 -11.704 -1.950
668 H LEU 88 H LEU 88 -6.231 -6.876 0.211
669 HA LEU 88 HA LEU 88 -5.990 -7.274 3.035
670 1HB LEU 88 2HB LEU 88 -4.399 -5.954 1.679
671 2HB LEU 88 1HB LEU 88 -5.656 -4.776 1.362
672 HG LEU 88 HG LEU 88 -5.723 -4.226 3.781
673 1HD1 LEU 88 1HD1 LEU 88 -4.953 -6.361 4.678
674 2HD1 LEU 88 2HD1 LEU 88 -3.946 -5.033 5.254
675 3HD1 LEU 88 3HD1 LEU 88 -3.358 -6.094 3.974
676 1HD2 LEU 88 1HD2 LEU 88 -4.343 -2.910 2.252
677 2HD2 LEU 88 2HD2 LEU 88 -2.989 -4.008 2.520
678 3HD2 LEU 88 3HD2 LEU 88 -3.600 -3.020 3.848
679 H LEU 89 H LEU 89 -7.080 -6.191 4.730
680 HA LEU 89 HA LEU 89 -9.774 -5.221 4.053
681 1HB LEU 89 2HB LEU 89 -8.630 -5.781 6.796
682 2HB LEU 89 1HB LEU 89 -10.318 -5.557 6.377
683 HG LEU 89 HG LEU 89 -8.578 -7.899 5.587
684 1HD1 LEU 89 1HD1 LEU 89 -10.918 -7.709 7.484
685 2HD1 LEU 89 2HD1 LEU 89 -9.227 -7.948 7.928
686 3HD1 LEU 89 3HD1 LEU 89 -10.084 -9.194 7.021
687 1HD2 LEU 89 1HD2 LEU 89 -10.631 -8.872 4.651
688 2HD2 LEU 89 2HD2 LEU 89 -10.152 -7.402 3.804
689 3HD2 LEU 89 3HD2 LEU 89 -11.483 -7.358 4.962
690 H VAL 90 H VAL 90 -10.554 -3.150 4.757
691 HA VAL 90 HA VAL 90 -8.618 -1.071 4.761
692 HB VAL 90 HB VAL 90 -11.556 -0.999 5.492
693 1HG1 VAL 90 1HG1 VAL 90 -9.650 1.316 5.084
694 2HG1 VAL 90 2HG1 VAL 90 -10.440 0.868 6.596
695 3HG1 VAL 90 3HG1 VAL 90 -11.401 1.453 5.237
696 1HG2 VAL 90 1HG2 VAL 90 -10.071 -0.139 3.002
697 2HG2 VAL 90 2HG2 VAL 90 -11.810 0.000 3.270
698 3HG2 VAL 90 3HG2 VAL 90 -11.059 -1.592 3.167
699 H SER 91 H SER 91 -10.447 -2.583 7.407
700 HA SER 91 HA SER 91 -9.319 -0.946 9.468
701 1HB SER 91 2HB SER 91 -11.438 -2.160 9.813
702 2HB SER 91 1HB SER 91 -10.588 -3.697 9.674
703 HG SER 91 HG SER 91 -9.262 -2.672 11.524
704 H GLU 92 H GLU 92 -7.978 -3.316 7.542
705 HA GLU 92 HA GLU 92 -5.992 -4.157 9.523
706 1HB GLU 92 2HB GLU 92 -7.139 -5.827 8.046
707 2HB GLU 92 1HB GLU 92 -6.357 -5.080 6.664
708 1HG GLU 92 2HG GLU 92 -4.238 -5.835 7.305
709 2HG GLU 92 1HG GLU 92 -4.761 -6.180 8.954
710 H VAL 93 H VAL 93 -6.450 -1.777 7.199
711 HA VAL 93 HA VAL 93 -3.637 -1.317 6.617
712 HB VAL 93 HB VAL 93 -5.978 0.552 6.124
713 1HG1 VAL 93 1HG1 VAL 93 -3.214 0.449 4.903
714 2HG1 VAL 93 2HG1 VAL 93 -3.811 1.660 6.038
715 3HG1 VAL 93 3HG1 VAL 93 -4.507 1.548 4.422
716 1HG2 VAL 93 1HG2 VAL 93 -6.381 -1.586 5.011
717 2HG2 VAL 93 2HG2 VAL 93 -4.791 -1.502 4.252
718 3HG2 VAL 93 3HG2 VAL 93 -6.031 -0.319 3.835
719 H THR 94 H THR 94 -2.361 -0.496 8.197
720 HA THR 94 HA THR 94 -3.416 0.472 10.625
721 HB THR 94 HB THR 94 -0.564 0.942 9.764
722 HG1 THR 94 HG1 THR 94 -1.641 -1.473 10.856
723 1HG2 THR 94 1HG2 THR 94 -1.298 1.895 11.918
724 2HG2 THR 94 2HG2 THR 94 -0.108 0.615 12.141
725 3HG2 THR 94 3HG2 THR 94 -1.816 0.293 12.443
726 H ARG 95 H ARG 95 -1.258 2.353 8.427
727 HA ARG 95 HA ARG 95 -2.699 4.784 9.308
728 1HB ARG 95 2HB ARG 95 0.213 4.311 8.787
729 2HB ARG 95 1HB ARG 95 -0.449 5.908 8.484
730 1HG ARG 95 2HG ARG 95 0.398 6.025 10.650
731 2HG ARG 95 1HG ARG 95 -1.339 5.831 10.866
732 1HD ARG 95 2HD ARG 95 -0.202 4.422 12.443
733 2HD ARG 95 1HD ARG 95 -0.972 3.403 11.229
734 HE ARG 95 HE ARG 95 1.097 2.622 10.654
735 1HH1 ARG 95 1HH1 ARG 95 1.519 5.627 12.317
736 2HH1 ARG 95 2HH1 ARG 95 3.241 5.474 12.356
737 1HH2 ARG 95 1HH2 ARG 95 3.291 2.435 10.741
738 2HH2 ARG 95 2HH2 ARG 95 4.232 3.688 11.487
739 H GLU 96 H GLU 96 -3.738 5.943 7.827
740 HA GLU 96 HA GLU 96 -2.980 5.693 4.990
741 1HB GLU 96 2HB GLU 96 -5.140 6.836 4.511
742 2HB GLU 96 1HB GLU 96 -5.345 5.319 5.373
743 1HG GLU 96 2HG GLU 96 -5.653 6.565 7.471
744 2HG GLU 96 1HG GLU 96 -5.490 8.078 6.583
745 H ALA 97 H ALA 97 -1.144 6.993 4.947
746 HA ALA 97 HA ALA 97 -1.152 9.562 6.309
747 1HB ALA 97 1HB ALA 97 0.805 8.082 6.445
748 2HB ALA 97 2HB ALA 97 1.208 9.657 5.761
749 3HB ALA 97 3HB ALA 97 1.045 8.252 4.705
750 H ASP 98 H ASP 98 -1.125 11.562 5.380
751 HA ASP 98 HA ASP 98 -1.886 11.766 2.596
752 1HB ASP 98 2HB ASP 98 -1.465 13.891 4.710
753 2HB ASP 98 1HB ASP 98 -2.086 14.196 3.088
754 H LEU 99 H LEU 99 -0.796 13.222 1.095
755 HA LEU 99 HA LEU 99 2.058 12.746 1.183
756 1HB LEU 99 2HB LEU 99 2.141 13.291 -1.121
757 2HB LEU 99 1HB LEU 99 0.735 12.283 -0.864
758 HG LEU 99 HG LEU 99 0.588 15.293 -1.154
759 1HD1 LEU 99 1HD1 LEU 99 -0.146 14.895 -3.452
760 2HD1 LEU 99 2HD1 LEU 99 0.184 13.172 -3.262
761 3HD1 LEU 99 3HD1 LEU 99 1.506 14.338 -3.192
762 1HD2 LEU 99 1HD2 LEU 99 -1.371 14.504 -0.075
763 2HD2 LEU 99 2HD2 LEU 99 -1.498 13.114 -1.153
764 3HD2 LEU 99 3HD2 LEU 99 -1.800 14.739 -1.767
765 H ASP 100 H ASP 100 3.400 14.143 2.107
766 HA ASP 100 HA ASP 100 3.091 17.000 1.433
767 1HB ASP 100 2HB ASP 100 3.179 16.538 3.881
768 2HB ASP 100 1HB ASP 100 4.761 15.793 3.666
769 H LEU 101 H LEU 101 4.074 17.062 -0.540
770 HA LEU 101 HA LEU 101 6.639 15.673 -0.878
771 1HB LEU 101 2HB LEU 101 4.549 16.607 -2.827
772 2HB LEU 101 1HB LEU 101 6.152 16.118 -3.353
773 HG LEU 101 HG LEU 101 4.219 14.355 -1.835
774 1HD1 LEU 101 1HD1 LEU 101 4.988 14.298 -4.756
775 2HD1 LEU 101 2HD1 LEU 101 3.437 14.836 -4.111
776 3HD1 LEU 101 3HD1 LEU 101 3.929 13.153 -3.929
777 1HD2 LEU 101 1HD2 LEU 101 5.834 12.567 -2.504
778 2HD2 LEU 101 2HD2 LEU 101 6.481 13.724 -1.339
779 3HD2 LEU 101 3HD2 LEU 101 6.942 13.833 -3.035
780 H ASP 102 H ASP 102 8.325 16.624 -2.098
781 HA ASP 102 HA ASP 102 8.309 19.462 -2.669
782 1HB ASP 102 2HB ASP 102 8.738 19.270 -0.165
783 2HB ASP 102 1HB ASP 102 10.260 18.483 -0.566
784 H ALA 103 H ALA 103 10.596 20.171 -3.419
785 HA ALA 103 HA ALA 103 12.375 19.970 -4.805
786 1HB ALA 103 1HB ALA 103 13.270 18.596 -2.976
787 2HB ALA 103 2HB ALA 103 13.855 18.065 -4.553
788 3HB ALA 103 3HB ALA 103 12.584 17.158 -3.732
789 H ASP 104 H ASP 104 11.469 16.561 -5.116
790 HA ASP 104 HA ASP 104 10.881 17.021 -7.979
791 1HB ASP 104 2HB ASP 104 12.115 14.580 -6.667
792 2HB ASP 104 1HB ASP 104 11.740 14.736 -8.381
793 H GLY 105 H GLY 105 9.252 16.650 -5.300
794 1HA GLY 105 2HA GLY 105 7.183 15.793 -4.751
795 2HA GLY 105 1HA GLY 105 7.029 15.257 -6.416
796 H VAL 106 H VAL 106 9.672 14.246 -4.344
797 HA VAL 106 HA VAL 106 8.497 11.540 -4.113
798 HB VAL 106 HB VAL 106 11.340 12.045 -4.939
799 1HG1 VAL 106 1HG1 VAL 106 9.727 9.497 -4.819
800 2HG1 VAL 106 2HG1 VAL 106 11.076 9.942 -3.773
801 3HG1 VAL 106 3HG1 VAL 106 11.355 9.636 -5.486
802 1HG2 VAL 106 1HG2 VAL 106 9.857 12.758 -6.735
803 2HG2 VAL 106 2HG2 VAL 106 9.009 11.212 -6.668
804 3HG2 VAL 106 3HG2 VAL 106 10.695 11.271 -7.183
805 HA PRO 107 HA PRO 107 12.099 11.939 -0.980
806 1HB PRO 107 2HB PRO 107 12.922 14.286 -0.112
807 2HB PRO 107 1HB PRO 107 13.202 13.840 -1.801
808 1HG PRO 107 2HG PRO 107 11.091 15.625 -0.645
809 2HG PRO 107 1HG PRO 107 12.078 15.862 -2.096
810 1HD PRO 107 2HD PRO 107 9.490 14.822 -2.049
811 2HD PRO 107 1HD PRO 107 10.641 14.674 -3.392
812 H GLN 108 H GLN 108 9.493 11.485 -0.074
813 HA GLN 108 HA GLN 108 9.471 12.892 2.492
814 1HB GLN 108 2HB GLN 108 7.230 13.482 2.358
815 2HB GLN 108 1HB GLN 108 7.820 13.752 0.731
816 1HG GLN 108 2HG GLN 108 5.973 11.630 1.745
817 2HG GLN 108 1HG GLN 108 5.748 12.794 0.442
818 1HE2 GLN 108 1HE2 GLN 108 8.159 12.285 -0.989
819 2HE2 GLN 108 2HE2 GLN 108 8.035 10.694 -1.648
820 H LEU 109 H LEU 109 10.317 10.178 1.703
821 HA LEU 109 HA LEU 109 8.733 8.693 3.678
822 1HB LEU 109 2HB LEU 109 10.173 7.857 1.329
823 2HB LEU 109 1HB LEU 109 10.807 7.019 2.731
824 HG LEU 109 HG LEU 109 8.510 6.260 3.295
825 1HD1 LEU 109 1HD1 LEU 109 7.230 8.045 2.265
826 2HD1 LEU 109 2HD1 LEU 109 6.726 6.481 1.628
827 3HD1 LEU 109 3HD1 LEU 109 7.762 7.533 0.662
828 1HD2 LEU 109 1HD2 LEU 109 10.002 4.816 2.009
829 2HD2 LEU 109 2HD2 LEU 109 9.418 5.536 0.508
830 3HD2 LEU 109 3HD2 LEU 109 8.322 4.593 1.519
831 H GLY 110 H GLY 110 11.540 10.559 3.438
832 1HA GLY 110 2HA GLY 110 13.212 9.313 5.372
833 2HA GLY 110 1HA GLY 110 13.262 11.007 4.904
834 H ASP 111 H ASP 111 10.239 10.875 5.688
835 HA ASP 111 HA ASP 111 10.512 11.677 8.442
836 1HB ASP 111 2HB ASP 111 7.975 11.230 6.846
837 2HB ASP 111 1HB ASP 111 8.169 12.226 8.285
838 H HIS 112 H HIS 112 9.585 8.818 6.702
839 HA HIS 112 HA HIS 112 8.272 7.628 9.047
840 1HB HIS 112 2HB HIS 112 8.287 6.559 6.220
841 2HB HIS 112 1HB HIS 112 7.196 6.120 7.531
842 HD1 HIS 112 HD1 HIS 112 5.706 8.325 8.405
843 HD2 HIS 112 HD2 HIS 112 7.206 8.368 4.540
844 HE1 HIS 112 HE1 HIS 112 4.393 10.086 7.197
845 HE2 HIS 112 HE2 HIS 112 5.464 10.231 4.929
846 H LEU 113 H LEU 113 10.785 6.908 6.636
847 HA LEU 113 HA LEU 113 11.498 4.394 7.807
848 1HB LEU 113 2HB LEU 113 13.098 6.068 5.867
849 2HB LEU 113 1HB LEU 113 13.309 4.358 6.195
850 HG LEU 113 HG LEU 113 10.951 5.647 4.805
851 1HD1 LEU 113 1HD1 LEU 113 13.097 3.784 3.782
852 2HD1 LEU 113 2HD1 LEU 113 12.945 5.504 3.417
853 3HD1 LEU 113 3HD1 LEU 113 11.712 4.372 2.861
854 1HD2 LEU 113 1HD2 LEU 113 11.420 2.752 5.528
855 2HD2 LEU 113 2HD2 LEU 113 10.157 3.336 4.445
856 3HD2 LEU 113 3HD2 LEU 113 10.145 3.806 6.143
857 H ALA 114 H ALA 114 13.511 7.269 7.334
858 HA ALA 114 HA ALA 114 15.159 6.593 9.617
859 1HB ALA 114 1HB ALA 114 16.516 8.515 8.952
860 2HB ALA 114 2HB ALA 114 15.298 8.975 7.761
861 3HB ALA 114 3HB ALA 114 16.190 7.466 7.571
862 H LEU 115 H LEU 115 15.196 7.629 11.584
863 HA LEU 115 HA LEU 115 12.894 9.203 12.303
864 1HB LEU 115 2HB LEU 115 15.325 8.360 13.897
865 2HB LEU 115 1HB LEU 115 13.995 9.283 14.570
866 HG LEU 115 HG LEU 115 13.706 6.992 15.201
867 1HD1 LEU 115 1HD1 LEU 115 11.508 6.499 14.291
868 2HD1 LEU 115 2HD1 LEU 115 11.778 7.635 12.969
869 3HD1 LEU 115 3HD1 LEU 115 11.669 8.222 14.630
870 1HD2 LEU 115 1HD2 LEU 115 13.505 5.168 13.592
871 2HD2 LEU 115 2HD2 LEU 115 15.086 5.940 13.481
872 3HD2 LEU 115 3HD2 LEU 115 13.851 6.282 12.268
873 H GLU 116 H GLU 116 13.443 10.874 10.682
874 HA GLU 116 HA GLU 116 15.210 12.943 11.808
875 1HB GLU 116 2HB GLU 116 16.418 11.679 10.052
876 2HB GLU 116 1HB GLU 116 15.156 12.090 8.901
877 1HG GLU 116 2HG GLU 116 15.745 14.394 8.951
878 2HG GLU 116 1HG GLU 116 16.822 14.151 10.328
Start of MODEL 13
1 1H MET 1 1H MET 1 6.363 -5.941 12.982
2 2H MET 1 2H MET 1 6.785 -6.657 14.447
3 3H MET 1 3H MET 1 7.933 -6.531 13.209
4 HA MET 1 HA MET 1 6.707 -4.315 14.753
5 1HB MET 1 2HB MET 1 9.570 -5.300 14.618
6 2HB MET 1 1HB MET 1 9.012 -3.909 15.540
7 1HG MET 1 2HG MET 1 7.652 -5.340 16.941
8 2HG MET 1 1HG MET 1 8.106 -6.750 15.984
9 1HE MET 1 1HE MET 1 8.370 -6.648 19.151
10 2HE MET 1 2HE MET 1 9.956 -7.385 19.372
11 3HE MET 1 3HE MET 1 8.839 -8.043 18.176
12 H THR 2 H THR 2 8.712 -5.224 11.970
13 HA THR 2 HA THR 2 9.358 -2.625 11.083
14 HB THR 2 HB THR 2 9.593 -3.640 8.818
15 HG1 THR 2 HG1 THR 2 8.248 -5.275 8.524
16 1HG2 THR 2 1HG2 THR 2 10.786 -5.281 11.062
17 2HG2 THR 2 2HG2 THR 2 11.455 -3.789 10.398
18 3HG2 THR 2 3HG2 THR 2 11.367 -5.239 9.399
19 H LEU 3 H LEU 3 8.437 -1.439 9.253
20 HA LEU 3 HA LEU 3 5.503 -1.528 9.297
21 1HB LEU 3 2HB LEU 3 7.348 0.645 8.290
22 2HB LEU 3 1HB LEU 3 5.601 0.755 8.412
23 HG LEU 3 HG LEU 3 7.536 0.517 10.727
24 1HD1 LEU 3 1HD1 LEU 3 6.772 2.782 11.286
25 2HD1 LEU 3 2HD1 LEU 3 5.808 2.819 9.809
26 3HD1 LEU 3 3HD1 LEU 3 7.567 2.726 9.712
27 1HD2 LEU 3 1HD2 LEU 3 5.576 0.813 12.163
28 2HD2 LEU 3 2HD2 LEU 3 5.453 -0.662 11.206
29 3HD2 LEU 3 3HD2 LEU 3 4.525 0.765 10.747
30 H ILE 4 H ILE 4 4.258 -1.641 7.462
31 HA ILE 4 HA ILE 4 5.616 -2.492 4.977
32 HB ILE 4 HB ILE 4 2.681 -2.853 5.514
33 1HG1 ILE 4 2HG1 ILE 4 4.792 -4.876 6.317
34 2HG1 ILE 4 1HG1 ILE 4 4.016 -3.780 7.456
35 1HG2 ILE 4 1HG2 ILE 4 3.456 -3.267 3.256
36 2HG2 ILE 4 2HG2 ILE 4 2.978 -4.790 4.006
37 3HG2 ILE 4 3HG2 ILE 4 4.688 -4.383 3.849
38 1HD1 ILE 4 1HD1 ILE 4 1.844 -4.762 6.917
39 2HD1 ILE 4 2HD1 ILE 4 2.984 -5.966 7.514
40 3HD1 ILE 4 3HD1 ILE 4 2.629 -5.870 5.790
41 H TYR 5 H TYR 5 4.975 -1.563 2.962
42 HA TYR 5 HA TYR 5 3.256 0.829 3.120
43 1HB TYR 5 2HB TYR 5 6.004 0.725 1.844
44 2HB TYR 5 1HB TYR 5 4.896 2.089 1.750
45 HD1 TYR 5 HD2 TYR 5 6.760 -0.012 4.214
46 HD2 TYR 5 HD1 TYR 5 4.979 3.767 3.388
47 HE1 TYR 5 HE2 TYR 5 7.724 0.891 6.288
48 HE2 TYR 5 HE1 TYR 5 5.927 4.671 5.466
49 HH TYR 5 HH TYR 5 8.288 2.950 7.323
50 H LYS 6 H LYS 6 1.937 1.169 1.400
51 HA LYS 6 HA LYS 6 2.636 0.127 -1.225
52 1HB LYS 6 2HB LYS 6 1.419 -1.751 -0.338
53 2HB LYS 6 1HB LYS 6 0.111 -0.713 0.214
54 1HG LYS 6 2HG LYS 6 -0.693 -0.366 -1.962
55 2HG LYS 6 1HG LYS 6 0.818 -0.897 -2.702
56 1HD LYS 6 2HD LYS 6 0.388 -3.182 -2.095
57 2HD LYS 6 1HD LYS 6 -1.009 -2.716 -1.127
58 1HE LYS 6 2HE LYS 6 -2.291 -2.191 -3.032
59 2HE LYS 6 1HE LYS 6 -0.882 -2.167 -4.083
60 1HZ LYS 6 1HZ LYS 6 -2.267 -4.175 -4.340
61 2HZ LYS 6 2HZ LYS 6 -1.928 -4.596 -2.740
62 3HZ LYS 6 3HZ LYS 6 -0.684 -4.538 -3.882
63 H ILE 7 H ILE 7 2.253 1.648 -2.694
64 HA ILE 7 HA ILE 7 0.559 3.932 -1.993
65 HB ILE 7 HB ILE 7 2.486 3.605 -4.315
66 1HG1 ILE 7 2HG1 ILE 7 3.790 5.385 -2.999
67 2HG1 ILE 7 1HG1 ILE 7 2.768 4.975 -1.628
68 1HG2 ILE 7 1HG2 ILE 7 2.209 6.026 -4.640
69 2HG2 ILE 7 2HG2 ILE 7 0.985 6.052 -3.369
70 3HG2 ILE 7 3HG2 ILE 7 0.690 5.155 -4.859
71 1HD1 ILE 7 1HD1 ILE 7 4.906 3.841 -1.513
72 2HD1 ILE 7 2HD1 ILE 7 4.616 3.093 -3.084
73 3HD1 ILE 7 3HD1 ILE 7 3.595 2.677 -1.705
74 H LEU 8 H LEU 8 -1.303 4.448 -3.035
75 HA LEU 8 HA LEU 8 -1.970 3.249 -5.608
76 1HB LEU 8 2HB LEU 8 -4.072 2.304 -4.905
77 2HB LEU 8 1HB LEU 8 -2.784 1.602 -3.947
78 HG LEU 8 HG LEU 8 -4.576 3.833 -2.957
79 1HD1 LEU 8 1HD1 LEU 8 -5.919 1.854 -3.388
80 2HD1 LEU 8 2HD1 LEU 8 -5.733 2.110 -1.653
81 3HD1 LEU 8 3HD1 LEU 8 -4.788 0.862 -2.466
82 1HD2 LEU 8 1HD2 LEU 8 -2.421 3.702 -1.818
83 2HD2 LEU 8 2HD2 LEU 8 -2.681 1.987 -1.497
84 3HD2 LEU 8 3HD2 LEU 8 -3.730 3.195 -0.752
85 H SER 9 H SER 9 -4.095 4.137 -6.448
86 HA SER 9 HA SER 9 -4.178 6.980 -6.149
87 1HB SER 9 2HB SER 9 -4.768 6.080 -8.299
88 2HB SER 9 1HB SER 9 -6.012 5.047 -7.592
89 HG SER 9 HG SER 9 -6.282 7.509 -8.520
90 H ARG 10 H ARG 10 -5.824 8.293 -5.268
91 HA ARG 10 HA ARG 10 -6.994 7.490 -2.871
92 1HB ARG 10 2HB ARG 10 -6.636 9.870 -3.693
93 2HB ARG 10 1HB ARG 10 -8.095 9.672 -4.653
94 1HG ARG 10 2HG ARG 10 -8.677 10.821 -2.638
95 2HG ARG 10 1HG ARG 10 -9.349 9.190 -2.551
96 1HD ARG 10 2HD ARG 10 -7.270 8.547 -1.246
97 2HD ARG 10 1HD ARG 10 -6.907 10.271 -1.148
98 HE ARG 10 HE ARG 10 -9.539 9.488 -0.221
99 1HH1 ARG 10 1HH1 ARG 10 -6.280 10.265 0.626
100 2HH1 ARG 10 2HH1 ARG 10 -6.645 10.407 2.308
101 1HH2 ARG 10 1HH2 ARG 10 -9.985 9.707 1.935
102 2HH2 ARG 10 2HH2 ARG 10 -8.720 10.120 3.039
103 H ALA 11 H ALA 11 -8.338 7.470 -6.149
104 HA ALA 11 HA ALA 11 -10.995 6.791 -5.512
105 1HB ALA 11 1HB ALA 11 -11.199 6.086 -7.834
106 2HB ALA 11 2HB ALA 11 -9.441 6.063 -7.998
107 3HB ALA 11 3HB ALA 11 -10.282 7.590 -7.725
108 H GLU 12 H GLU 12 -8.131 4.774 -5.946
109 HA GLU 12 HA GLU 12 -9.459 2.256 -5.821
110 1HB GLU 12 2HB GLU 12 -6.593 3.051 -5.262
111 2HB GLU 12 1HB GLU 12 -7.153 1.385 -5.260
112 1HG GLU 12 2HG GLU 12 -7.381 3.223 -7.635
113 2HG GLU 12 1HG GLU 12 -6.028 2.126 -7.363
114 H TRP 13 H TRP 13 -8.000 4.368 -3.400
115 HA TRP 13 HA TRP 13 -8.216 2.502 -1.245
116 1HB TRP 13 2HB TRP 13 -6.510 4.251 -1.265
117 2HB TRP 13 1HB TRP 13 -7.756 5.493 -1.222
118 HD1 TRP 13 HD1 TRP 13 -7.612 6.560 1.092
119 HE1 TRP 13 HE1 TRP 13 -7.514 5.702 3.513
120 HE3 TRP 13 HE3 TRP 13 -7.272 1.532 0.178
121 HZ2 TRP 13 HZ2 TRP 13 -7.339 3.239 4.862
122 HZ3 TRP 13 HZ3 TRP 13 -7.147 -0.004 2.096
123 HH2 TRP 13 HH2 TRP 13 -7.176 0.834 4.390
124 H ASP 14 H ASP 14 -10.106 5.405 -2.143
125 HA ASP 14 HA ASP 14 -11.998 5.244 -0.082
126 1HB ASP 14 2HB ASP 14 -12.338 6.289 -2.905
127 2HB ASP 14 1HB ASP 14 -13.470 6.573 -1.586
128 H ALA 15 H ALA 15 -11.981 3.738 -3.311
129 HA ALA 15 HA ALA 15 -14.445 2.395 -3.173
130 1HB ALA 15 1HB ALA 15 -13.125 2.579 -5.233
131 2HB ALA 15 2HB ALA 15 -13.531 0.898 -4.883
132 3HB ALA 15 3HB ALA 15 -11.906 1.501 -4.553
133 H ALA 16 H ALA 16 -11.231 1.479 -1.996
134 HA ALA 16 HA ALA 16 -11.810 -1.087 -1.048
135 1HB ALA 16 1HB ALA 16 -9.907 0.926 0.156
136 2HB ALA 16 2HB ALA 16 -9.537 -0.162 -1.181
137 3HB ALA 16 3HB ALA 16 -9.885 -0.818 0.420
138 H LYS 17 H LYS 17 -12.052 2.048 0.637
139 HA LYS 17 HA LYS 17 -13.034 1.088 3.084
140 1HB LYS 17 2HB LYS 17 -13.606 3.747 1.748
141 2HB LYS 17 1HB LYS 17 -13.887 3.379 3.445
142 1HG LYS 17 2HG LYS 17 -11.461 2.987 3.731
143 2HG LYS 17 1HG LYS 17 -11.213 3.452 2.047
144 1HD LYS 17 2HD LYS 17 -12.110 5.682 2.527
145 2HD LYS 17 1HD LYS 17 -12.390 5.217 4.206
146 1HE LYS 17 2HE LYS 17 -9.978 4.837 4.487
147 2HE LYS 17 1HE LYS 17 -9.713 5.336 2.819
148 1HZ LYS 17 1HZ LYS 17 -10.852 7.053 4.959
149 2HZ LYS 17 2HZ LYS 17 -10.536 7.526 3.368
150 3HZ LYS 17 3HZ LYS 17 -9.258 7.115 4.396
151 H ALA 18 H ALA 18 -14.735 1.945 0.100
152 HA ALA 18 HA ALA 18 -17.374 1.790 1.012
153 1HB ALA 18 1HB ALA 18 -17.994 1.443 -1.320
154 2HB ALA 18 2HB ALA 18 -16.321 1.047 -1.719
155 3HB ALA 18 3HB ALA 18 -16.737 2.675 -1.184
156 H GLN 19 H GLN 19 -15.253 -0.793 -0.223
157 HA GLN 19 HA GLN 19 -17.296 -2.805 0.403
158 1HB GLN 19 2HB GLN 19 -15.758 -4.404 -0.705
159 2HB GLN 19 1HB GLN 19 -16.199 -3.057 -1.745
160 1HG GLN 19 2HG GLN 19 -14.049 -1.991 -1.271
161 2HG GLN 19 1HG GLN 19 -13.611 -3.342 -0.230
162 1HE2 GLN 19 1HE2 GLN 19 -12.275 -2.363 -2.610
163 2HE2 GLN 19 2HE2 GLN 19 -12.215 -3.690 -3.712
164 H GLY 20 H GLY 20 -14.910 -1.268 2.090
165 1HA GLY 20 2HA GLY 20 -13.983 -1.669 4.164
166 2HA GLY 20 1HA GLY 20 -14.953 -3.129 4.256
167 H ARG 21 H ARG 21 -13.077 -3.093 1.453
168 HA ARG 21 HA ARG 21 -10.834 -4.552 2.663
169 1HB ARG 21 2HB ARG 21 -12.626 -5.735 0.521
170 2HB ARG 21 1HB ARG 21 -11.130 -6.451 1.103
171 1HG ARG 21 2HG ARG 21 -12.110 -6.794 3.294
172 2HG ARG 21 1HG ARG 21 -13.595 -5.987 2.782
173 1HD ARG 21 2HD ARG 21 -14.003 -7.712 1.131
174 2HD ARG 21 1HD ARG 21 -12.471 -8.491 1.523
175 HE ARG 21 HE ARG 21 -13.511 -8.789 3.821
176 1HH1 ARG 21 1HH1 ARG 21 -15.434 -8.591 0.973
177 2HH1 ARG 21 2HH1 ARG 21 -16.621 -9.697 1.570
178 1HH2 ARG 21 1HH2 ARG 21 -15.045 -10.175 4.582
179 2HH2 ARG 21 2HH2 ARG 21 -16.405 -10.577 3.598
180 H PHE 22 H PHE 22 -9.019 -4.808 1.237
181 HA PHE 22 HA PHE 22 -9.267 -3.650 -1.456
182 1HB PHE 22 2HB PHE 22 -8.120 -2.024 0.126
183 2HB PHE 22 1HB PHE 22 -6.832 -3.211 0.303
184 HD1 PHE 22 HD2 PHE 22 -8.689 -1.307 -2.304
185 HD2 PHE 22 HD1 PHE 22 -4.985 -3.136 -1.198
186 HE1 PHE 22 HE2 PHE 22 -7.634 -0.413 -4.337
187 HE2 PHE 22 HE1 PHE 22 -3.946 -2.240 -3.230
188 HZ PHE 22 HZ PHE 22 -5.264 -0.878 -4.801
189 H GLU 23 H GLU 23 -7.157 -4.239 -2.706
190 HA GLU 23 HA GLU 23 -5.390 -5.566 -3.222
191 1HB GLU 23 2HB GLU 23 -6.296 -7.319 -0.960
192 2HB GLU 23 1HB GLU 23 -4.988 -7.759 -2.046
193 1HG GLU 23 2HG GLU 23 -5.090 -5.385 -0.194
194 2HG GLU 23 1HG GLU 23 -4.051 -6.805 -0.060
195 H GLY 24 H GLY 24 -4.972 -7.542 -4.397
196 1HA GLY 24 2HA GLY 24 -5.558 -8.955 -6.126
197 2HA GLY 24 1HA GLY 24 -7.203 -8.971 -5.506
198 H SER 25 H SER 25 -5.220 -6.217 -6.530
199 HA SER 25 HA SER 25 -7.365 -5.178 -8.179
200 1HB SER 25 2HB SER 25 -5.953 -3.234 -8.475
201 2HB SER 25 1HB SER 25 -5.863 -3.720 -6.782
202 HG SER 25 HG SER 25 -3.806 -4.158 -7.021
203 H ALA 26 H ALA 26 -6.389 -4.090 -10.356
204 HA ALA 26 HA ALA 26 -6.072 -6.072 -12.252
205 1HB ALA 26 1HB ALA 26 -6.703 -3.763 -12.778
206 2HB ALA 26 2HB ALA 26 -5.369 -4.315 -13.790
207 3HB ALA 26 3HB ALA 26 -5.056 -3.234 -12.432
208 H VAL 27 H VAL 27 -3.478 -4.093 -10.776
209 HA VAL 27 HA VAL 27 -1.372 -5.381 -12.203
210 HB VAL 27 HB VAL 27 -1.134 -3.816 -9.621
211 1HG1 VAL 27 1HG1 VAL 27 0.886 -4.394 -11.797
212 2HG1 VAL 27 2HG1 VAL 27 0.869 -5.099 -10.180
213 3HG1 VAL 27 3HG1 VAL 27 1.157 -3.371 -10.385
214 1HG2 VAL 27 1HG2 VAL 27 -2.326 -2.518 -11.335
215 2HG2 VAL 27 2HG2 VAL 27 -1.005 -2.803 -12.468
216 3HG2 VAL 27 3HG2 VAL 27 -0.725 -1.850 -11.011
217 H ASP 28 H ASP 28 -2.438 -5.672 -8.783
218 HA ASP 28 HA ASP 28 -0.571 -7.566 -7.956
219 1HB ASP 28 2HB ASP 28 -3.422 -7.137 -7.041
220 2HB ASP 28 1HB ASP 28 -2.295 -8.210 -6.219
221 H LEU 29 H LEU 29 -3.763 -8.138 -9.454
222 HA LEU 29 HA LEU 29 -3.513 -10.988 -9.439
223 1HB LEU 29 2HB LEU 29 -5.312 -9.145 -11.011
224 2HB LEU 29 1HB LEU 29 -5.415 -10.894 -11.090
225 HG LEU 29 HG LEU 29 -5.879 -9.204 -8.622
226 1HD1 LEU 29 1HD1 LEU 29 -8.205 -9.935 -8.832
227 2HD1 LEU 29 2HD1 LEU 29 -7.811 -10.766 -10.338
228 3HD1 LEU 29 3HD1 LEU 29 -7.686 -9.008 -10.240
229 1HD2 LEU 29 1HD2 LEU 29 -6.597 -11.299 -7.563
230 2HD2 LEU 29 2HD2 LEU 29 -4.898 -11.355 -8.030
231 3HD2 LEU 29 3HD2 LEU 29 -6.108 -12.194 -9.002
232 H ALA 30 H ALA 30 -2.701 -8.470 -11.783
233 HA ALA 30 HA ALA 30 -2.226 -10.070 -14.030
234 1HB ALA 30 1HB ALA 30 -0.788 -7.537 -13.227
235 2HB ALA 30 2HB ALA 30 -2.308 -7.625 -14.116
236 3HB ALA 30 3HB ALA 30 -0.825 -8.242 -14.844
237 H ASP 31 H ASP 31 0.008 -9.117 -11.417
238 HA ASP 31 HA ASP 31 2.203 -10.655 -12.381
239 1HB ASP 31 2HB ASP 31 1.570 -9.542 -9.639
240 2HB ASP 31 1HB ASP 31 3.081 -10.360 -10.025
241 H GLY 32 H GLY 32 -0.423 -11.336 -10.097
242 1HA GLY 32 2HA GLY 32 -1.192 -13.741 -10.339
243 2HA GLY 32 1HA GLY 32 0.477 -14.160 -9.991
244 H PHE 33 H PHE 33 0.599 -11.887 -8.025
245 HA PHE 33 HA PHE 33 -1.287 -12.505 -5.951
246 1HB PHE 33 2HB PHE 33 0.429 -13.248 -4.289
247 2HB PHE 33 1HB PHE 33 0.145 -14.410 -5.577
248 HD1 PHE 33 HD2 PHE 33 1.811 -14.258 -7.612
249 HD2 PHE 33 HD1 PHE 33 2.596 -12.699 -3.727
250 HE1 PHE 33 HE2 PHE 33 4.225 -14.334 -8.072
251 HE2 PHE 33 HE1 PHE 33 5.010 -12.780 -4.182
252 HZ PHE 33 HZ PHE 33 5.828 -13.600 -6.356
253 H ILE 34 H ILE 34 -0.822 -11.216 -3.946
254 HA ILE 34 HA ILE 34 -0.583 -8.520 -4.711
255 HB ILE 34 HB ILE 34 -0.483 -9.695 -1.930
256 1HG1 ILE 34 2HG1 ILE 34 -2.853 -8.666 -3.518
257 2HG1 ILE 34 1HG1 ILE 34 -2.484 -10.366 -3.238
258 1HG2 ILE 34 1HG2 ILE 34 -1.117 -6.888 -2.847
259 2HG2 ILE 34 2HG2 ILE 34 0.302 -7.404 -1.937
260 3HG2 ILE 34 3HG2 ILE 34 -1.295 -7.487 -1.197
261 1HD1 ILE 34 1HD1 ILE 34 -2.741 -9.982 -0.816
262 2HD1 ILE 34 2HD1 ILE 34 -4.207 -9.643 -1.733
263 3HD1 ILE 34 3HD1 ILE 34 -3.203 -8.312 -1.156
264 H HIS 35 H HIS 35 0.996 -6.993 -4.462
265 HA HIS 35 HA HIS 35 3.578 -7.794 -3.307
266 1HB HIS 35 2HB HIS 35 4.673 -6.680 -5.369
267 2HB HIS 35 1HB HIS 35 4.020 -8.304 -5.552
268 HD1 HIS 35 HD1 HIS 35 2.909 -4.720 -6.193
269 HD2 HIS 35 HD2 HIS 35 2.325 -8.568 -7.640
270 HE1 HIS 35 HE1 HIS 35 1.470 -4.461 -8.230
271 HE2 HIS 35 HE2 HIS 35 1.337 -6.772 -9.211
272 H LEU 36 H LEU 36 3.724 -6.360 -1.682
273 HA LEU 36 HA LEU 36 3.239 -3.507 -2.192
274 1HB LEU 36 2HB LEU 36 3.882 -4.909 0.420
275 2HB LEU 36 1HB LEU 36 3.449 -3.220 0.235
276 HG LEU 36 HG LEU 36 1.209 -4.088 -0.712
277 1HD1 LEU 36 1HD1 LEU 36 0.518 -6.290 0.083
278 2HD1 LEU 36 2HD1 LEU 36 2.151 -6.593 0.680
279 3HD1 LEU 36 3HD1 LEU 36 1.864 -6.405 -1.050
280 1HD2 LEU 36 1HD2 LEU 36 1.489 -2.999 1.477
281 2HD2 LEU 36 2HD2 LEU 36 1.836 -4.570 2.201
282 3HD2 LEU 36 3HD2 LEU 36 0.249 -4.253 1.500
283 H SER 37 H SER 37 4.943 -2.196 -0.622
284 HA SER 37 HA SER 37 7.667 -3.114 -1.294
285 1HB SER 37 2HB SER 37 6.564 -0.319 -1.718
286 2HB SER 37 1HB SER 37 8.273 -0.738 -1.826
287 HG SER 37 HG SER 37 7.254 -0.728 -3.877
288 H ALA 38 H ALA 38 9.344 -2.308 0.087
289 HA ALA 38 HA ALA 38 8.512 -1.726 2.794
290 1HB ALA 38 1HB ALA 38 11.288 -1.846 1.603
291 2HB ALA 38 2HB ALA 38 10.424 -3.190 2.350
292 3HB ALA 38 3HB ALA 38 10.894 -1.796 3.323
293 H GLY 39 H GLY 39 9.870 0.123 3.954
294 1HA GLY 39 2HA GLY 39 8.810 2.553 3.181
295 2HA GLY 39 1HA GLY 39 10.204 2.384 4.232
296 H GLU 40 H GLU 40 12.245 1.647 2.778
297 HA GLU 40 HA GLU 40 12.948 3.883 1.209
298 1HB GLU 40 2HB GLU 40 14.973 2.582 0.626
299 2HB GLU 40 1HB GLU 40 14.633 2.552 2.351
300 1HG GLU 40 2HG GLU 40 13.715 0.321 2.177
301 2HG GLU 40 1HG GLU 40 13.911 0.344 0.426
302 H GLN 41 H GLN 41 11.889 0.629 0.282
303 HA GLN 41 HA GLN 41 12.289 1.037 -2.521
304 1HB GLN 41 2HB GLN 41 10.758 -1.105 -1.029
305 2HB GLN 41 1HB GLN 41 11.082 -1.131 -2.759
306 1HG GLN 41 2HG GLN 41 13.517 -1.116 -2.256
307 2HG GLN 41 1HG GLN 41 13.128 -1.232 -0.540
308 1HE2 GLN 41 1HE2 GLN 41 12.386 -3.194 0.280
309 2HE2 GLN 41 2HE2 GLN 41 12.434 -4.661 -0.634
310 H ALA 42 H ALA 42 9.783 1.922 -0.368
311 HA ALA 42 HA ALA 42 7.607 1.981 -2.214
312 1HB ALA 42 1HB ALA 42 7.252 2.009 0.211
313 2HB ALA 42 2HB ALA 42 6.488 3.397 -0.564
314 3HB ALA 42 3HB ALA 42 8.009 3.598 0.310
315 H GLN 43 H GLN 43 9.787 4.534 -0.989
316 HA GLN 43 HA GLN 43 8.968 6.570 -2.750
317 1HB GLN 43 2HB GLN 43 10.306 7.092 -0.807
318 2HB GLN 43 1HB GLN 43 11.622 6.079 -1.380
319 1HG GLN 43 2HG GLN 43 12.083 8.475 -1.647
320 2HG GLN 43 1HG GLN 43 12.085 7.616 -3.182
321 1HE2 GLN 43 1HE2 GLN 43 9.103 8.453 -1.572
322 2HE2 GLN 43 2HE2 GLN 43 8.625 9.675 -2.688
323 H GLU 44 H GLU 44 11.382 4.014 -3.098
324 HA GLU 44 HA GLU 44 12.385 4.729 -5.624
325 1HB GLU 44 2HB GLU 44 13.419 3.027 -4.177
326 2HB GLU 44 1HB GLU 44 12.032 1.973 -4.413
327 1HG GLU 44 2HG GLU 44 12.552 1.765 -6.771
328 2HG GLU 44 1HG GLU 44 13.898 2.890 -6.595
329 H THR 45 H THR 45 9.680 2.569 -4.753
330 HA THR 45 HA THR 45 8.816 1.974 -7.369
331 HB THR 45 HB THR 45 7.149 2.146 -4.838
332 HG1 THR 45 HG1 THR 45 9.067 0.560 -5.184
333 1HG2 THR 45 1HG2 THR 45 5.764 2.199 -6.888
334 2HG2 THR 45 2HG2 THR 45 5.548 0.699 -5.986
335 3HG2 THR 45 3HG2 THR 45 6.544 0.719 -7.441
336 H ALA 46 H ALA 46 8.213 4.739 -5.276
337 HA ALA 46 HA ALA 46 6.190 5.963 -6.825
338 1HB ALA 46 1HB ALA 46 6.661 6.648 -4.526
339 2HB ALA 46 2HB ALA 46 6.761 8.022 -5.627
340 3HB ALA 46 3HB ALA 46 8.236 7.266 -5.023
341 H ALA 47 H ALA 47 9.695 6.709 -6.691
342 HA ALA 47 HA ALA 47 9.789 8.521 -8.795
343 1HB ALA 47 1HB ALA 47 12.183 8.053 -8.905
344 2HB ALA 47 2HB ALA 47 11.947 6.578 -7.967
345 3HB ALA 47 3HB ALA 47 11.636 8.150 -7.231
346 H LYS 48 H LYS 48 9.696 5.016 -8.921
347 HA LYS 48 HA LYS 48 10.332 4.869 -11.733
348 1HB LYS 48 2HB LYS 48 9.477 2.829 -9.676
349 2HB LYS 48 1HB LYS 48 9.768 2.427 -11.355
350 1HG LYS 48 2HG LYS 48 12.086 3.118 -11.164
351 2HG LYS 48 1HG LYS 48 11.809 3.631 -9.498
352 1HD LYS 48 2HD LYS 48 11.330 1.346 -8.833
353 2HD LYS 48 1HD LYS 48 11.470 0.801 -10.506
354 1HE LYS 48 2HE LYS 48 13.709 2.054 -8.909
355 2HE LYS 48 1HE LYS 48 13.482 0.320 -9.133
356 1HZ LYS 48 1HZ LYS 48 13.748 0.615 -11.505
357 2HZ LYS 48 2HZ LYS 48 15.094 1.232 -10.689
358 3HZ LYS 48 3HZ LYS 48 13.930 2.284 -11.313
359 H TRP 49 H TRP 49 7.398 4.386 -9.742
360 HA TRP 49 HA TRP 49 5.846 4.075 -12.235
361 1HB TRP 49 2HB TRP 49 5.218 2.835 -9.551
362 2HB TRP 49 1HB TRP 49 4.364 2.559 -11.066
363 HD1 TRP 49 HD1 TRP 49 7.228 1.269 -9.038
364 HE1 TRP 49 HE1 TRP 49 8.468 -0.577 -10.325
365 HE3 TRP 49 HE3 TRP 49 5.092 1.913 -13.645
366 HZ2 TRP 49 HZ2 TRP 49 8.535 -1.629 -12.945
367 HZ3 TRP 49 HZ3 TRP 49 5.802 0.443 -15.487
368 HH2 TRP 49 HH2 TRP 49 7.490 -1.291 -15.143
369 H PHE 50 H PHE 50 5.850 5.575 -9.040
370 HA PHE 50 HA PHE 50 3.310 6.936 -9.710
371 1HB PHE 50 2HB PHE 50 4.421 6.227 -6.981
372 2HB PHE 50 1HB PHE 50 2.982 7.201 -7.248
373 HD1 PHE 50 HD2 PHE 50 0.938 6.188 -8.149
374 HD2 PHE 50 HD1 PHE 50 4.380 3.835 -7.255
375 HE1 PHE 50 HE2 PHE 50 -0.438 4.149 -8.223
376 HE2 PHE 50 HE1 PHE 50 3.007 1.797 -7.325
377 HZ PHE 50 HZ PHE 50 0.596 1.951 -7.810
378 H ARG 51 H ARG 51 5.121 8.194 -10.886
379 HA ARG 51 HA ARG 51 6.897 9.830 -9.376
380 1HB ARG 51 2HB ARG 51 7.460 10.839 -11.513
381 2HB ARG 51 1HB ARG 51 7.364 9.093 -11.680
382 1HG ARG 51 2HG ARG 51 5.165 9.276 -12.688
383 2HG ARG 51 1HG ARG 51 5.171 11.022 -12.446
384 1HD ARG 51 2HD ARG 51 7.068 11.232 -13.976
385 2HD ARG 51 1HD ARG 51 7.091 9.479 -14.198
386 HE ARG 51 HE ARG 51 4.595 10.823 -14.831
387 1HH1 ARG 51 1HH1 ARG 51 7.590 9.630 -16.045
388 2HH1 ARG 51 2HH1 ARG 51 6.980 9.427 -17.648
389 1HH2 ARG 51 1HH2 ARG 51 3.826 10.564 -16.888
390 2HH2 ARG 51 2HH2 ARG 51 4.866 9.938 -18.118
391 H GLY 52 H GLY 52 3.598 10.140 -9.765
392 1HA GLY 52 2HA GLY 52 3.469 12.715 -8.628
393 2HA GLY 52 1HA GLY 52 3.224 12.859 -10.359
394 H GLN 53 H GLN 53 1.297 12.179 -11.266
395 HA GLN 53 HA GLN 53 -0.945 11.873 -11.376
396 1HB GLN 53 2HB GLN 53 -0.414 10.012 -9.047
397 2HB GLN 53 1HB GLN 53 -1.922 10.078 -9.950
398 1HG GLN 53 2HG GLN 53 -0.705 9.439 -11.994
399 2HG GLN 53 1HG GLN 53 0.783 9.333 -11.057
400 1HE2 GLN 53 1HE2 GLN 53 1.031 7.153 -11.580
401 2HE2 GLN 53 2HE2 GLN 53 0.050 5.919 -10.873
402 H ALA 54 H ALA 54 -2.935 11.520 -9.380
403 HA ALA 54 HA ALA 54 -2.650 13.994 -7.783
404 1HB ALA 54 1HB ALA 54 -4.972 14.538 -8.236
405 2HB ALA 54 2HB ALA 54 -5.156 13.066 -9.191
406 3HB ALA 54 3HB ALA 54 -4.090 14.352 -9.753
407 H ASN 55 H ASN 55 -2.820 13.641 -5.677
408 HA ASN 55 HA ASN 55 -3.287 12.738 -3.655
409 1HB ASN 55 2HB ASN 55 -5.863 11.892 -5.003
410 2HB ASN 55 1HB ASN 55 -5.579 11.914 -3.264
411 1HD2 ASN 55 1HD2 ASN 55 -6.153 13.818 -6.089
412 2HD2 ASN 55 2HD2 ASN 55 -6.439 15.310 -5.270
413 H LEU 56 H LEU 56 -1.560 11.214 -3.848
414 HA LEU 56 HA LEU 56 -2.351 8.439 -4.430
415 1HB LEU 56 2HB LEU 56 0.383 9.601 -3.853
416 2HB LEU 56 1HB LEU 56 0.054 7.936 -4.295
417 HG LEU 56 HG LEU 56 -0.331 10.366 -6.054
418 1HD1 LEU 56 1HD1 LEU 56 1.607 8.055 -6.240
419 2HD1 LEU 56 2HD1 LEU 56 2.003 9.704 -5.759
420 3HD1 LEU 56 3HD1 LEU 56 1.452 9.376 -7.399
421 1HD2 LEU 56 1HD2 LEU 56 -0.920 8.772 -7.824
422 2HD2 LEU 56 2HD2 LEU 56 -2.082 8.729 -6.499
423 3HD2 LEU 56 3HD2 LEU 56 -0.874 7.452 -6.653
424 H VAL 57 H VAL 57 -2.870 7.104 -2.782
425 HA VAL 57 HA VAL 57 -2.404 7.967 -0.044
426 HB VAL 57 HB VAL 57 -3.851 5.501 -1.036
427 1HG1 VAL 57 1HG1 VAL 57 -4.826 5.430 1.214
428 2HG1 VAL 57 2HG1 VAL 57 -3.838 6.812 1.688
429 3HG1 VAL 57 3HG1 VAL 57 -3.069 5.280 1.271
430 1HG2 VAL 57 1HG2 VAL 57 -4.944 8.194 -0.206
431 2HG2 VAL 57 2HG2 VAL 57 -5.911 6.768 -0.582
432 3HG2 VAL 57 3HG2 VAL 57 -4.936 7.528 -1.840
433 H LEU 58 H LEU 58 -0.792 7.281 1.183
434 HA LEU 58 HA LEU 58 0.779 4.938 0.384
435 1HB LEU 58 2HB LEU 58 2.049 6.968 0.785
436 2HB LEU 58 1HB LEU 58 1.327 7.153 2.369
437 HG LEU 58 HG LEU 58 2.472 5.064 3.103
438 1HD1 LEU 58 1HD1 LEU 58 2.711 3.949 0.971
439 2HD1 LEU 58 2HD1 LEU 58 4.298 4.170 1.708
440 3HD1 LEU 58 3HD1 LEU 58 3.783 5.222 0.388
441 1HD2 LEU 58 1HD2 LEU 58 4.721 6.037 3.240
442 2HD2 LEU 58 2HD2 LEU 58 3.468 7.231 3.580
443 3HD2 LEU 58 3HD2 LEU 58 4.280 7.227 2.014
444 H LEU 59 H LEU 59 -0.328 3.176 1.125
445 HA LEU 59 HA LEU 59 -1.504 3.072 3.740
446 1HB LEU 59 2HB LEU 59 -0.882 0.861 1.776
447 2HB LEU 59 1HB LEU 59 -1.818 0.660 3.249
448 HG LEU 59 HG LEU 59 -2.586 2.365 0.871
449 1HD1 LEU 59 1HD1 LEU 59 -3.757 -0.213 1.917
450 2HD1 LEU 59 2HD1 LEU 59 -2.827 -0.014 0.431
451 3HD1 LEU 59 3HD1 LEU 59 -4.407 0.753 0.591
452 1HD2 LEU 59 1HD2 LEU 59 -4.701 2.725 2.053
453 2HD2 LEU 59 2HD2 LEU 59 -3.336 3.390 2.948
454 3HD2 LEU 59 3HD2 LEU 59 -4.067 1.864 3.457
455 H ALA 60 H ALA 60 -0.234 3.143 5.476
456 HA ALA 60 HA ALA 60 2.185 1.448 5.534
457 1HB ALA 60 1HB ALA 60 3.165 3.027 7.116
458 2HB ALA 60 2HB ALA 60 1.709 4.021 7.048
459 3HB ALA 60 3HB ALA 60 2.720 3.841 5.615
460 H VAL 61 H VAL 61 1.898 -0.295 6.760
461 HA VAL 61 HA VAL 61 0.200 -0.103 9.180
462 HB VAL 61 HB VAL 61 0.342 -2.491 7.314
463 1HG1 VAL 61 1HG1 VAL 61 -1.552 -3.341 8.649
464 2HG1 VAL 61 2HG1 VAL 61 -1.393 -1.958 9.732
465 3HG1 VAL 61 3HG1 VAL 61 -0.089 -3.141 9.613
466 1HG2 VAL 61 1HG2 VAL 61 -0.836 -0.646 6.237
467 2HG2 VAL 61 2HG2 VAL 61 -1.873 -0.460 7.652
468 3HG2 VAL 61 3HG2 VAL 61 -1.964 -1.928 6.677
469 H GLU 62 H GLU 62 0.939 -1.140 11.007
470 HA GLU 62 HA GLU 62 3.656 -1.967 11.173
471 1HB GLU 62 2HB GLU 62 1.333 -2.179 13.098
472 2HB GLU 62 1HB GLU 62 2.942 -2.757 13.499
473 1HG GLU 62 2HG GLU 62 2.672 -0.603 14.468
474 2HG GLU 62 1HG GLU 62 3.805 -0.450 13.133
475 H ALA 63 H ALA 63 4.560 -3.996 11.092
476 HA ALA 63 HA ALA 63 2.986 -6.050 9.817
477 1HB ALA 63 1HB ALA 63 5.890 -6.079 10.633
478 2HB ALA 63 2HB ALA 63 5.260 -5.534 9.079
479 3HB ALA 63 3HB ALA 63 5.102 -7.225 9.550
480 H GLU 64 H GLU 64 2.368 -5.524 12.705
481 HA GLU 64 HA GLU 64 3.158 -7.924 14.085
482 1HB GLU 64 2HB GLU 64 1.603 -5.523 14.745
483 2HB GLU 64 1HB GLU 64 0.974 -6.984 15.489
484 1HG GLU 64 2HG GLU 64 2.555 -5.792 16.938
485 2HG GLU 64 1HG GLU 64 3.094 -7.424 16.549
486 HA PRO 65 HA PRO 65 -1.242 -9.475 12.643
487 1HB PRO 65 2HB PRO 65 -1.780 -7.735 10.314
488 2HB PRO 65 1HB PRO 65 -2.869 -8.237 11.610
489 1HG PRO 65 2HG PRO 65 -1.976 -5.718 11.443
490 2HG PRO 65 1HG PRO 65 -2.212 -6.511 13.013
491 1HD PRO 65 2HD PRO 65 0.336 -6.092 11.468
492 2HD PRO 65 1HD PRO 65 0.021 -5.849 13.201
493 H LEU 66 H LEU 66 1.478 -9.884 11.891
494 HA LEU 66 HA LEU 66 2.009 -10.039 9.146
495 1HB LEU 66 2HB LEU 66 3.694 -10.032 10.948
496 2HB LEU 66 1HB LEU 66 3.176 -11.633 11.434
497 HG LEU 66 HG LEU 66 3.920 -12.497 9.209
498 1HD1 LEU 66 1HD1 LEU 66 5.054 -9.720 8.892
499 2HD1 LEU 66 2HD1 LEU 66 3.761 -10.436 7.930
500 3HD1 LEU 66 3HD1 LEU 66 5.392 -11.098 7.844
501 1HD2 LEU 66 1HD2 LEU 66 6.049 -11.080 10.816
502 2HD2 LEU 66 2HD2 LEU 66 6.300 -12.439 9.720
503 3HD2 LEU 66 3HD2 LEU 66 5.355 -12.658 11.192
504 H GLY 67 H GLY 67 0.697 -12.454 11.391
505 1HA GLY 67 2HA GLY 67 -0.196 -14.546 11.059
506 2HA GLY 67 1HA GLY 67 -0.591 -14.005 9.433
507 H GLU 68 H GLU 68 0.295 -15.189 7.856
508 HA GLU 68 HA GLU 68 3.096 -15.960 8.006
509 1HB GLU 68 2HB GLU 68 1.853 -17.842 9.065
510 2HB GLU 68 1HB GLU 68 0.941 -18.051 7.577
511 1HG GLU 68 2HG GLU 68 2.898 -18.733 6.385
512 2HG GLU 68 1HG GLU 68 3.942 -18.292 7.734
513 H ASP 69 H ASP 69 0.911 -14.416 6.355
514 HA ASP 69 HA ASP 69 1.385 -15.639 3.724
515 1HB ASP 69 2HB ASP 69 -0.629 -13.538 4.541
516 2HB ASP 69 1HB ASP 69 -0.514 -14.300 2.955
517 H LEU 70 H LEU 70 2.064 -12.709 5.543
518 HA LEU 70 HA LEU 70 2.866 -11.158 3.281
519 1HB LEU 70 2HB LEU 70 2.302 -10.140 5.475
520 2HB LEU 70 1HB LEU 70 3.761 -10.846 6.148
521 HG LEU 70 HG LEU 70 5.091 -9.525 4.464
522 1HD1 LEU 70 1HD1 LEU 70 3.997 -7.602 3.396
523 2HD1 LEU 70 2HD1 LEU 70 2.433 -8.179 3.972
524 3HD1 LEU 70 3HD1 LEU 70 3.353 -9.138 2.813
525 1HD2 LEU 70 1HD2 LEU 70 4.907 -8.771 6.763
526 2HD2 LEU 70 2HD2 LEU 70 3.386 -7.956 6.399
527 3HD2 LEU 70 3HD2 LEU 70 4.887 -7.393 5.664
528 H LYS 71 H LYS 71 4.280 -12.150 1.984
529 HA LYS 71 HA LYS 71 6.691 -13.384 3.127
530 1HB LYS 71 2HB LYS 71 5.296 -14.804 1.685
531 2HB LYS 71 1HB LYS 71 5.470 -13.650 0.369
532 1HG LYS 71 2HG LYS 71 7.949 -14.068 0.465
533 2HG LYS 71 1HG LYS 71 7.613 -15.384 1.594
534 1HD LYS 71 2HD LYS 71 6.500 -15.150 -1.210
535 2HD LYS 71 1HD LYS 71 7.871 -16.158 -0.742
536 1HE LYS 71 2HE LYS 71 6.446 -17.487 0.702
537 2HE LYS 71 1HE LYS 71 5.072 -16.429 0.367
538 1HZ LYS 71 1HZ LYS 71 6.497 -18.044 -1.679
539 2HZ LYS 71 2HZ LYS 71 5.112 -17.108 -1.923
540 3HZ LYS 71 3HZ LYS 71 5.036 -18.486 -0.952
541 H TRP 72 H TRP 72 8.165 -11.736 3.365
542 HA TRP 72 HA TRP 72 8.757 -9.807 1.336
543 1HB TRP 72 2HB TRP 72 10.500 -10.811 3.611
544 2HB TRP 72 1HB TRP 72 10.810 -9.376 2.642
545 HD1 TRP 72 HD1 TRP 72 8.060 -10.687 5.068
546 HE1 TRP 72 HE1 TRP 72 7.103 -8.662 6.334
547 HE3 TRP 72 HE3 TRP 72 10.677 -6.959 2.736
548 HZ2 TRP 72 HZ2 TRP 72 7.413 -5.858 6.347
549 HZ3 TRP 72 HZ3 TRP 72 10.287 -4.632 3.442
550 HH2 TRP 72 HH2 TRP 72 8.687 -4.095 5.209
551 H GLU 73 H GLU 73 9.278 -10.608 -0.645
552 HA GLU 73 HA GLU 73 11.356 -12.689 -0.843
553 1HB GLU 73 2HB GLU 73 9.108 -13.765 -0.820
554 2HB GLU 73 1HB GLU 73 8.665 -12.821 -2.232
555 1HG GLU 73 2HG GLU 73 9.229 -15.040 -2.922
556 2HG GLU 73 1HG GLU 73 10.475 -13.937 -3.501
557 H ALA 74 H ALA 74 12.260 -12.924 -3.002
558 HA ALA 74 HA ALA 74 12.149 -10.432 -4.575
559 1HB ALA 74 1HB ALA 74 14.275 -11.181 -5.556
560 2HB ALA 74 2HB ALA 74 14.196 -12.657 -4.593
561 3HB ALA 74 3HB ALA 74 14.364 -11.092 -3.797
562 H SER 75 H SER 75 12.732 -10.978 -7.044
563 HA SER 75 HA SER 75 11.100 -13.258 -7.963
564 1HB SER 75 2HB SER 75 10.059 -11.848 -9.700
565 2HB SER 75 1HB SER 75 9.686 -11.241 -8.088
566 HG SER 75 HG SER 75 10.290 -9.500 -9.321
567 H ARG 76 H ARG 76 12.921 -10.587 -9.495
568 HA ARG 76 HA ARG 76 14.298 -12.598 -11.159
569 1HB ARG 76 2HB ARG 76 13.782 -9.657 -11.640
570 2HB ARG 76 1HB ARG 76 14.771 -10.663 -12.691
571 1HG ARG 76 2HG ARG 76 11.835 -11.033 -12.107
572 2HG ARG 76 1HG ARG 76 12.541 -10.413 -13.601
573 1HD ARG 76 2HD ARG 76 12.888 -13.190 -12.460
574 2HD ARG 76 1HD ARG 76 11.928 -12.746 -13.871
575 HE ARG 76 HE ARG 76 14.480 -11.875 -14.412
576 1HH1 ARG 76 1HH1 ARG 76 13.026 -14.921 -13.680
577 2HH1 ARG 76 2HH1 ARG 76 14.173 -15.809 -14.619
578 1HH2 ARG 76 1HH2 ARG 76 15.951 -13.041 -15.581
579 2HH2 ARG 76 2HH2 ARG 76 15.806 -14.762 -15.668
580 H GLY 77 H GLY 77 15.098 -9.322 -9.943
581 1HA GLY 77 2HA GLY 77 17.923 -10.011 -9.896
582 2HA GLY 77 1HA GLY 77 17.221 -8.441 -9.546
583 H GLY 78 H GLY 78 17.086 -7.807 -7.457
584 1HA GLY 78 2HA GLY 78 17.340 -9.872 -5.352
585 2HA GLY 78 1HA GLY 78 18.405 -8.475 -5.355
586 H ALA 79 H ALA 79 17.509 -8.195 -3.188
587 HA ALA 79 HA ALA 79 16.329 -6.965 -1.702
588 1HB ALA 79 1HB ALA 79 14.908 -5.807 -4.100
589 2HB ALA 79 2HB ALA 79 16.377 -5.173 -3.355
590 3HB ALA 79 3HB ALA 79 14.860 -5.170 -2.454
591 H ARG 80 H ARG 80 14.509 -7.196 -0.429
592 HA ARG 80 HA ARG 80 12.597 -9.227 -1.353
593 1HB ARG 80 2HB ARG 80 13.343 -8.300 1.424
594 2HB ARG 80 1HB ARG 80 12.006 -9.397 1.101
595 1HG ARG 80 2HG ARG 80 13.634 -10.947 0.014
596 2HG ARG 80 1HG ARG 80 14.929 -9.882 0.558
597 1HD ARG 80 2HD ARG 80 14.348 -10.269 2.867
598 2HD ARG 80 1HD ARG 80 12.919 -11.189 2.395
599 HE ARG 80 HE ARG 80 15.452 -12.225 1.443
600 1HH1 ARG 80 1HH1 ARG 80 13.056 -12.346 3.920
601 2HH1 ARG 80 2HH1 ARG 80 13.502 -13.937 4.418
602 1HH2 ARG 80 1HH2 ARG 80 16.002 -14.262 2.086
603 2HH2 ARG 80 2HH2 ARG 80 15.158 -15.011 3.398
604 H PHE 81 H PHE 81 10.723 -8.535 -2.099
605 HA PHE 81 HA PHE 81 9.512 -6.074 -1.051
606 1HB PHE 81 2HB PHE 81 8.731 -7.832 -3.399
607 2HB PHE 81 1HB PHE 81 7.888 -6.362 -2.925
608 HD1 PHE 81 HD1 PHE 81 11.004 -7.718 -4.350
609 HD2 PHE 81 HD2 PHE 81 8.776 -4.194 -3.449
610 HE1 PHE 81 HE1 PHE 81 12.522 -6.397 -5.766
611 HE2 PHE 81 HE2 PHE 81 10.295 -2.873 -4.863
612 HZ PHE 81 HZ PHE 81 12.169 -3.974 -6.023
613 HA PRO 82 HA PRO 82 6.882 -8.568 1.594
614 1HB PRO 82 2HB PRO 82 5.095 -6.605 2.277
615 2HB PRO 82 1HB PRO 82 6.695 -6.775 3.010
616 1HG PRO 82 2HG PRO 82 5.795 -4.931 0.826
617 2HG PRO 82 1HG PRO 82 6.864 -4.600 2.202
618 1HD PRO 82 2HD PRO 82 7.809 -5.052 -0.294
619 2HD PRO 82 1HD PRO 82 8.702 -5.533 1.162
620 H HIS 83 H HIS 83 5.829 -10.016 0.292
621 HA HIS 83 HA HIS 83 3.617 -9.108 -1.409
622 1HB HIS 83 2HB HIS 83 4.927 -11.827 -1.132
623 2HB HIS 83 1HB HIS 83 3.634 -11.442 -2.264
624 HD1 HIS 83 HD1 HIS 83 7.293 -11.010 -1.706
625 HD2 HIS 83 HD2 HIS 83 4.419 -9.888 -4.485
626 HE1 HIS 83 HE1 HIS 83 8.571 -10.201 -3.709
627 HE2 HIS 83 HE2 HIS 83 6.815 -9.677 -5.429
628 H LEU 84 H LEU 84 1.510 -10.122 -1.270
629 HA LEU 84 HA LEU 84 0.928 -11.381 1.335
630 1HB LEU 84 2HB LEU 84 -0.310 -8.964 0.115
631 2HB LEU 84 1HB LEU 84 -1.372 -10.062 0.971
632 HG LEU 84 HG LEU 84 1.068 -8.736 2.171
633 1HD1 LEU 84 1HD1 LEU 84 -1.869 -8.124 2.541
634 2HD1 LEU 84 2HD1 LEU 84 -0.702 -7.119 1.679
635 3HD1 LEU 84 3HD1 LEU 84 -0.535 -7.370 3.416
636 1HD2 LEU 84 1HD2 LEU 84 -1.109 -10.423 3.421
637 2HD2 LEU 84 2HD2 LEU 84 0.168 -9.576 4.298
638 3HD2 LEU 84 3HD2 LEU 84 0.578 -10.890 3.198
639 H TYR 85 H TYR 85 -0.587 -12.957 1.389
640 HA TYR 85 HA TYR 85 -1.993 -13.628 -1.124
641 1HB TYR 85 2HB TYR 85 -1.297 -15.447 1.207
642 2HB TYR 85 1HB TYR 85 -2.127 -15.937 -0.268
643 HD1 TYR 85 HD2 TYR 85 -0.893 -16.003 -2.428
644 HD2 TYR 85 HD1 TYR 85 1.100 -15.150 1.244
645 HE1 TYR 85 HE2 TYR 85 1.276 -16.442 -3.504
646 HE2 TYR 85 HE1 TYR 85 3.272 -15.586 0.172
647 HH TYR 85 HH TYR 85 3.597 -15.971 -3.246
648 H ARG 86 H ARG 86 -2.500 -11.910 1.468
649 HA ARG 86 HA ARG 86 -5.301 -12.765 1.897
650 1HB ARG 86 2HB ARG 86 -3.549 -11.114 3.744
651 2HB ARG 86 1HB ARG 86 -5.202 -11.608 4.063
652 1HG ARG 86 2HG ARG 86 -2.904 -13.530 3.744
653 2HG ARG 86 1HG ARG 86 -3.451 -12.888 5.291
654 1HD ARG 86 2HD ARG 86 -4.504 -14.960 5.143
655 2HD ARG 86 1HD ARG 86 -5.754 -13.824 4.646
656 HE ARG 86 HE ARG 86 -4.918 -14.475 2.285
657 1HH1 ARG 86 1HH1 ARG 86 -5.087 -16.568 5.005
658 2HH1 ARG 86 2HH1 ARG 86 -5.359 -17.979 4.047
659 1HH2 ARG 86 1HH2 ARG 86 -5.264 -16.297 1.051
660 2HH2 ARG 86 2HH2 ARG 86 -5.458 -17.827 1.832
661 HA PRO 87 HA PRO 87 -6.214 -8.725 0.068
662 1HB PRO 87 2HB PRO 87 -8.937 -9.070 1.123
663 2HB PRO 87 1HB PRO 87 -8.391 -8.923 -0.553
664 1HG PRO 87 2HG PRO 87 -9.313 -11.259 0.460
665 2HG PRO 87 1HG PRO 87 -8.044 -11.197 -0.777
666 1HD PRO 87 2HD PRO 87 -7.779 -11.630 2.184
667 2HD PRO 87 1HD PRO 87 -6.937 -12.444 0.845
668 H LEU 88 H LEU 88 -6.224 -6.662 0.902
669 HA LEU 88 HA LEU 88 -5.629 -6.527 3.718
670 1HB LEU 88 2HB LEU 88 -4.255 -5.335 2.075
671 2HB LEU 88 1HB LEU 88 -5.634 -4.353 1.619
672 HG LEU 88 HG LEU 88 -5.681 -3.380 3.896
673 1HD1 LEU 88 1HD1 LEU 88 -4.714 -5.232 5.143
674 2HD1 LEU 88 2HD1 LEU 88 -3.803 -3.748 5.421
675 3HD1 LEU 88 3HD1 LEU 88 -3.163 -4.985 4.338
676 1HD2 LEU 88 1HD2 LEU 88 -3.011 -3.158 2.499
677 2HD2 LEU 88 2HD2 LEU 88 -3.661 -2.009 3.669
678 3HD2 LEU 88 3HD2 LEU 88 -4.466 -2.237 2.117
679 H LEU 89 H LEU 89 -7.411 -6.668 4.976
680 HA LEU 89 HA LEU 89 -9.865 -5.349 4.548
681 1HB LEU 89 2HB LEU 89 -8.630 -6.119 7.202
682 2HB LEU 89 1HB LEU 89 -10.331 -5.819 6.892
683 HG LEU 89 HG LEU 89 -8.705 -8.121 5.793
684 1HD1 LEU 89 1HD1 LEU 89 -9.189 -8.370 8.155
685 2HD1 LEU 89 2HD1 LEU 89 -10.149 -9.506 7.209
686 3HD1 LEU 89 3HD1 LEU 89 -10.898 -8.049 7.862
687 1HD2 LEU 89 1HD2 LEU 89 -11.636 -7.482 5.438
688 2HD2 LEU 89 2HD2 LEU 89 -10.822 -8.948 4.891
689 3HD2 LEU 89 3HD2 LEU 89 -10.391 -7.389 4.189
690 H VAL 90 H VAL 90 -10.304 -3.220 4.604
691 HA VAL 90 HA VAL 90 -8.433 -1.228 5.096
692 HB VAL 90 HB VAL 90 -11.449 -0.992 5.290
693 1HG1 VAL 90 1HG1 VAL 90 -9.349 1.147 4.897
694 2HG1 VAL 90 2HG1 VAL 90 -10.396 0.944 6.302
695 3HG1 VAL 90 3HG1 VAL 90 -11.089 1.391 4.743
696 1HG2 VAL 90 1HG2 VAL 90 -9.583 -0.579 2.948
697 2HG2 VAL 90 2HG2 VAL 90 -11.316 -0.253 2.947
698 3HG2 VAL 90 3HG2 VAL 90 -10.730 -1.904 3.150
699 H SER 91 H SER 91 -10.745 -2.682 7.320
700 HA SER 91 HA SER 91 -10.440 -0.974 9.521
701 1HB SER 91 2HB SER 91 -12.223 -2.591 9.499
702 2HB SER 91 1HB SER 91 -11.083 -3.930 9.399
703 HG SER 91 HG SER 91 -11.238 -3.943 11.485
704 H GLU 92 H GLU 92 -8.317 -3.521 8.370
705 HA GLU 92 HA GLU 92 -6.843 -3.747 10.846
706 1HB GLU 92 2HB GLU 92 -7.143 -5.631 9.198
707 2HB GLU 92 1HB GLU 92 -6.063 -4.777 8.107
708 1HG GLU 92 2HG GLU 92 -4.788 -6.450 9.205
709 2HG GLU 92 1HG GLU 92 -4.298 -4.897 9.877
710 H VAL 93 H VAL 93 -6.712 -1.700 8.081
711 HA VAL 93 HA VAL 93 -3.942 -1.104 8.023
712 HB VAL 93 HB VAL 93 -6.253 0.654 7.160
713 1HG1 VAL 93 1HG1 VAL 93 -3.343 0.722 6.337
714 2HG1 VAL 93 2HG1 VAL 93 -4.157 1.904 7.363
715 3HG1 VAL 93 3HG1 VAL 93 -4.630 1.731 5.674
716 1HG2 VAL 93 1HG2 VAL 93 -6.362 -1.516 6.079
717 2HG2 VAL 93 2HG2 VAL 93 -4.666 -1.397 5.609
718 3HG2 VAL 93 3HG2 VAL 93 -5.853 -0.291 4.916
719 H THR 94 H THR 94 -2.710 0.085 9.382
720 HA THR 94 HA THR 94 -3.870 1.293 11.695
721 HB THR 94 HB THR 94 -1.546 1.780 12.323
722 HG1 THR 94 HG1 THR 94 0.142 1.321 10.957
723 1HG2 THR 94 1HG2 THR 94 -2.457 -0.418 12.854
724 2HG2 THR 94 2HG2 THR 94 -0.745 -0.552 12.450
725 3HG2 THR 94 3HG2 THR 94 -1.970 -1.017 11.268
726 H ARG 95 H ARG 95 -1.734 2.669 9.104
727 HA ARG 95 HA ARG 95 -3.197 5.219 9.489
728 1HB ARG 95 2HB ARG 95 -1.194 6.507 9.416
729 2HB ARG 95 1HB ARG 95 -0.930 5.232 10.599
730 1HG ARG 95 2HG ARG 95 0.292 3.945 8.864
731 2HG ARG 95 1HG ARG 95 0.108 5.315 7.771
732 1HD ARG 95 2HD ARG 95 2.293 5.425 8.750
733 2HD ARG 95 1HD ARG 95 1.318 6.728 9.427
734 HE ARG 95 HE ARG 95 1.657 5.812 11.480
735 1HH1 ARG 95 1HH1 ARG 95 1.999 3.282 9.155
736 2HH1 ARG 95 2HH1 ARG 95 2.509 2.127 10.339
737 1HH2 ARG 95 1HH2 ARG 95 2.367 4.301 12.966
738 2HH2 ARG 95 2HH2 ARG 95 2.694 2.686 12.434
739 H GLU 96 H GLU 96 -3.564 6.470 7.679
740 HA GLU 96 HA GLU 96 -2.631 5.416 5.081
741 1HB GLU 96 2HB GLU 96 -4.782 6.330 4.128
742 2HB GLU 96 1HB GLU 96 -4.967 4.945 5.194
743 1HG GLU 96 2HG GLU 96 -5.709 6.365 6.999
744 2HG GLU 96 1HG GLU 96 -5.385 7.809 6.043
745 H ALA 97 H ALA 97 -0.957 6.789 4.644
746 HA ALA 97 HA ALA 97 -1.138 9.616 5.278
747 1HB ALA 97 1HB ALA 97 0.963 8.391 5.620
748 2HB ALA 97 2HB ALA 97 1.166 9.748 4.513
749 3HB ALA 97 3HB ALA 97 1.074 8.104 3.885
750 H ASP 98 H ASP 98 -2.012 11.079 3.948
751 HA ASP 98 HA ASP 98 -2.555 10.409 1.177
752 1HB ASP 98 2HB ASP 98 -4.157 11.605 2.782
753 2HB ASP 98 1HB ASP 98 -3.158 13.034 2.545
754 H LEU 99 H LEU 99 -0.919 10.628 -0.223
755 HA LEU 99 HA LEU 99 1.272 12.445 0.292
756 1HB LEU 99 2HB LEU 99 0.831 10.545 -2.015
757 2HB LEU 99 1HB LEU 99 2.329 11.383 -1.648
758 HG LEU 99 HG LEU 99 1.019 9.320 0.141
759 1HD1 LEU 99 1HD1 LEU 99 3.438 9.056 -1.646
760 2HD1 LEU 99 2HD1 LEU 99 1.859 8.327 -1.936
761 3HD1 LEU 99 3HD1 LEU 99 2.818 7.828 -0.542
762 1HD2 LEU 99 1HD2 LEU 99 3.723 10.657 0.332
763 2HD2 LEU 99 2HD2 LEU 99 3.122 9.377 1.387
764 3HD2 LEU 99 3HD2 LEU 99 2.342 10.957 1.389
765 H ASP 100 H ASP 100 0.769 14.529 -0.106
766 HA ASP 100 HA ASP 100 -0.349 15.320 -2.685
767 1HB ASP 100 2HB ASP 100 -1.064 16.473 -0.596
768 2HB ASP 100 1HB ASP 100 0.589 17.031 -0.359
769 H LEU 101 H LEU 101 0.810 16.440 -4.279
770 HA LEU 101 HA LEU 101 3.600 15.776 -4.401
771 1HB LEU 101 2HB LEU 101 1.953 17.438 -6.309
772 2HB LEU 101 1HB LEU 101 3.546 16.781 -6.633
773 HG LEU 101 HG LEU 101 0.975 15.238 -6.285
774 1HD1 LEU 101 1HD1 LEU 101 1.423 14.515 -8.578
775 2HD1 LEU 101 2HD1 LEU 101 2.859 15.541 -8.621
776 3HD1 LEU 101 3HD1 LEU 101 1.259 16.267 -8.465
777 1HD2 LEU 101 1HD2 LEU 101 2.304 13.212 -6.682
778 2HD2 LEU 101 2HD2 LEU 101 2.760 14.009 -5.178
779 3HD2 LEU 101 3HD2 LEU 101 3.784 14.170 -6.607
780 H ASP 102 H ASP 102 5.291 16.957 -3.814
781 HA ASP 102 HA ASP 102 5.133 19.896 -3.910
782 1HB ASP 102 2HB ASP 102 6.093 18.197 -1.610
783 2HB ASP 102 1HB ASP 102 6.703 19.832 -1.841
784 H ALA 103 H ALA 103 7.299 20.931 -3.868
785 HA ALA 103 HA ALA 103 9.393 21.286 -4.657
786 1HB ALA 103 1HB ALA 103 9.961 19.791 -2.801
787 2HB ALA 103 2HB ALA 103 11.090 19.620 -4.146
788 3HB ALA 103 3HB ALA 103 9.840 18.404 -3.886
789 H ASP 104 H ASP 104 9.344 17.878 -5.651
790 HA ASP 104 HA ASP 104 10.038 18.743 -8.376
791 1HB ASP 104 2HB ASP 104 10.303 15.981 -7.164
792 2HB ASP 104 1HB ASP 104 11.013 16.554 -8.672
793 H GLY 105 H GLY 105 7.263 18.083 -6.874
794 1HA GLY 105 2HA GLY 105 5.184 17.390 -7.624
795 2HA GLY 105 1HA GLY 105 5.901 17.061 -9.194
796 H VAL 106 H VAL 106 7.310 15.673 -6.373
797 HA VAL 106 HA VAL 106 6.216 13.006 -7.039
798 HB VAL 106 HB VAL 106 9.046 13.695 -6.169
799 1HG1 VAL 106 1HG1 VAL 106 8.376 11.580 -5.190
800 2HG1 VAL 106 2HG1 VAL 106 9.532 11.295 -6.491
801 3HG1 VAL 106 3HG1 VAL 106 7.813 10.997 -6.758
802 1HG2 VAL 106 1HG2 VAL 106 8.615 14.243 -8.512
803 2HG2 VAL 106 2HG2 VAL 106 8.026 12.604 -8.798
804 3HG2 VAL 106 3HG2 VAL 106 9.720 12.873 -8.377
805 HA PRO 107 HA PRO 107 4.783 12.917 -2.789
806 1HB PRO 107 2HB PRO 107 5.398 9.998 -3.007
807 2HB PRO 107 1HB PRO 107 3.913 10.803 -2.480
808 1HG PRO 107 2HG PRO 107 4.045 9.696 -4.889
809 2HG PRO 107 1HG PRO 107 3.231 11.255 -4.662
810 1HD PRO 107 2HD PRO 107 5.938 10.678 -5.807
811 2HD PRO 107 1HD PRO 107 4.730 11.877 -6.318
812 H GLN 108 H GLN 108 6.066 13.672 -1.199
813 HA GLN 108 HA GLN 108 8.777 12.837 -0.808
814 1HB GLN 108 2HB GLN 108 6.943 14.636 0.786
815 2HB GLN 108 1HB GLN 108 8.602 14.310 1.262
816 1HG GLN 108 2HG GLN 108 8.500 16.414 0.126
817 2HG GLN 108 1HG GLN 108 9.376 15.262 -0.878
818 1HE2 GLN 108 1HE2 GLN 108 8.991 16.406 -2.740
819 2HE2 GLN 108 2HE2 GLN 108 7.440 16.469 -3.486
820 H LEU 109 H LEU 109 8.891 10.652 -0.210
821 HA LEU 109 HA LEU 109 7.606 9.911 2.332
822 1HB LEU 109 2HB LEU 109 8.912 8.258 0.185
823 2HB LEU 109 1HB LEU 109 8.611 7.603 1.779
824 HG LEU 109 HG LEU 109 6.200 7.995 1.506
825 1HD1 LEU 109 1HD1 LEU 109 6.917 8.929 -1.269
826 2HD1 LEU 109 2HD1 LEU 109 6.262 9.919 0.038
827 3HD1 LEU 109 3HD1 LEU 109 5.285 8.632 -0.668
828 1HD2 LEU 109 1HD2 LEU 109 7.162 5.842 0.861
829 2HD2 LEU 109 2HD2 LEU 109 7.411 6.440 -0.781
830 3HD2 LEU 109 3HD2 LEU 109 5.774 6.259 -0.144
831 H GLY 110 H GLY 110 10.825 10.207 0.863
832 1HA GLY 110 2HA GLY 110 12.433 9.065 2.779
833 2HA GLY 110 1HA GLY 110 12.899 10.465 1.830
834 H ASP 111 H ASP 111 11.158 12.383 2.840
835 HA ASP 111 HA ASP 111 12.278 12.848 5.487
836 1HB ASP 111 2HB ASP 111 11.183 15.116 5.189
837 2HB ASP 111 1HB ASP 111 12.424 14.705 4.007
838 H HIS 112 H HIS 112 9.160 12.066 4.059
839 HA HIS 112 HA HIS 112 7.517 12.828 6.237
840 1HB HIS 112 2HB HIS 112 6.558 12.461 4.054
841 2HB HIS 112 1HB HIS 112 7.105 10.789 4.040
842 HD1 HIS 112 HD1 HIS 112 4.582 13.029 5.751
843 HD2 HIS 112 HD2 HIS 112 5.362 8.992 5.164
844 HE1 HIS 112 HE1 HIS 112 2.572 11.824 6.636
845 HE2 HIS 112 HE2 HIS 112 3.165 9.390 6.472
846 H LEU 113 H LEU 113 9.348 9.897 5.580
847 HA LEU 113 HA LEU 113 8.055 8.390 7.681
848 1HB LEU 113 2HB LEU 113 10.574 7.720 6.157
849 2HB LEU 113 1HB LEU 113 9.628 6.622 7.145
850 HG LEU 113 HG LEU 113 8.769 7.882 4.533
851 1HD1 LEU 113 1HD1 LEU 113 9.362 5.012 5.268
852 2HD1 LEU 113 2HD1 LEU 113 10.347 6.056 4.243
853 3HD1 LEU 113 3HD1 LEU 113 8.737 5.568 3.715
854 1HD2 LEU 113 1HD2 LEU 113 6.864 7.744 6.033
855 2HD2 LEU 113 2HD2 LEU 113 7.227 6.053 6.377
856 3HD2 LEU 113 3HD2 LEU 113 6.724 6.534 4.756
857 H ALA 114 H ALA 114 9.334 7.368 9.427
858 HA ALA 114 HA ALA 114 10.889 9.443 10.784
859 1HB ALA 114 1HB ALA 114 10.396 8.239 12.839
860 2HB ALA 114 2HB ALA 114 9.651 6.933 11.917
861 3HB ALA 114 3HB ALA 114 8.917 8.536 11.925
862 H LEU 115 H LEU 115 11.076 5.887 10.991
863 HA LEU 115 HA LEU 115 12.801 4.444 11.194
864 1HB LEU 115 2HB LEU 115 13.324 5.131 8.901
865 2HB LEU 115 1HB LEU 115 14.289 6.464 9.508
866 HG LEU 115 HG LEU 115 15.862 4.849 10.533
867 1HD1 LEU 115 1HD1 LEU 115 15.725 2.470 9.940
868 2HD1 LEU 115 2HD1 LEU 115 14.158 2.755 9.180
869 3HD1 LEU 115 3HD1 LEU 115 14.352 2.989 10.917
870 1HD2 LEU 115 1HD2 LEU 115 15.393 4.409 7.580
871 2HD2 LEU 115 2HD2 LEU 115 16.884 4.055 8.455
872 3HD2 LEU 115 3HD2 LEU 115 16.326 5.720 8.304
873 H GLU 116 H GLU 116 13.389 4.308 13.264
874 HA GLU 116 HA GLU 116 14.496 6.475 14.740
875 1HB GLU 116 2HB GLU 116 13.071 4.672 15.718
876 2HB GLU 116 1HB GLU 116 14.408 3.546 15.507
877 1HG GLU 116 2HG GLU 116 15.782 4.877 17.015
878 2HG GLU 116 1HG GLU 116 14.469 6.035 17.208
Start of MODEL 14
1 1H MET 1 1H MET 1 7.337 -4.370 14.264
2 2H MET 1 2H MET 1 6.540 -2.881 14.362
3 3H MET 1 3H MET 1 7.201 -3.575 15.752
4 HA MET 1 HA MET 1 8.579 -1.771 14.971
5 1HB MET 1 2HB MET 1 9.841 -4.492 14.532
6 2HB MET 1 1HB MET 1 10.719 -2.998 14.829
7 1HG MET 1 2HG MET 1 9.705 -2.828 17.043
8 2HG MET 1 1HG MET 1 8.797 -4.309 16.745
9 1HE MET 1 1HE MET 1 12.347 -2.726 17.309
10 2HE MET 1 2HE MET 1 12.537 -3.498 15.735
11 3HE MET 1 3HE MET 1 13.401 -4.131 17.136
12 H THR 2 H THR 2 8.744 -4.441 12.559
13 HA THR 2 HA THR 2 9.920 -2.799 10.545
14 HB THR 2 HB THR 2 8.461 -5.431 10.169
15 HG1 THR 2 HG1 THR 2 10.394 -6.405 10.598
16 1HG2 THR 2 1HG2 THR 2 9.867 -5.665 8.170
17 2HG2 THR 2 2HG2 THR 2 10.576 -4.079 8.474
18 3HG2 THR 2 3HG2 THR 2 8.866 -4.216 8.066
19 H LEU 3 H LEU 3 8.983 -1.427 9.136
20 HA LEU 3 HA LEU 3 6.044 -1.503 8.836
21 1HB LEU 3 2HB LEU 3 7.945 0.825 8.494
22 2HB LEU 3 1HB LEU 3 6.212 0.893 8.235
23 HG LEU 3 HG LEU 3 7.588 0.364 10.878
24 1HD1 LEU 3 1HD1 LEU 3 6.695 2.554 11.523
25 2HD1 LEU 3 2HD1 LEU 3 6.079 2.786 9.886
26 3HD1 LEU 3 3HD1 LEU 3 7.817 2.678 10.168
27 1HD2 LEU 3 1HD2 LEU 3 5.480 -0.841 10.750
28 2HD2 LEU 3 2HD2 LEU 3 4.647 0.626 10.227
29 3HD2 LEU 3 3HD2 LEU 3 5.335 0.530 11.849
30 H ILE 4 H ILE 4 5.203 -1.902 6.875
31 HA ILE 4 HA ILE 4 6.951 -1.649 4.507
32 HB ILE 4 HB ILE 4 5.393 -3.315 3.414
33 1HG1 ILE 4 2HG1 ILE 4 4.499 -3.761 6.281
34 2HG1 ILE 4 1HG1 ILE 4 3.504 -3.104 4.988
35 1HG2 ILE 4 1HG2 ILE 4 7.621 -3.932 4.193
36 2HG2 ILE 4 2HG2 ILE 4 6.486 -5.260 4.436
37 3HG2 ILE 4 3HG2 ILE 4 6.982 -4.263 5.804
38 1HD1 ILE 4 1HD1 ILE 4 3.699 -5.240 3.784
39 2HD1 ILE 4 2HD1 ILE 4 2.960 -5.416 5.375
40 3HD1 ILE 4 3HD1 ILE 4 4.640 -5.888 5.130
41 H TYR 5 H TYR 5 6.296 -0.415 2.833
42 HA TYR 5 HA TYR 5 3.861 1.195 3.261
43 1HB TYR 5 2HB TYR 5 6.466 1.845 1.857
44 2HB TYR 5 1HB TYR 5 5.068 2.913 1.873
45 HD1 TYR 5 HD1 TYR 5 7.426 1.160 4.201
46 HD2 TYR 5 HD2 TYR 5 4.854 4.497 3.573
47 HE1 TYR 5 HE1 TYR 5 8.206 2.157 6.310
48 HE2 TYR 5 HE2 TYR 5 5.629 5.498 5.677
49 HH TYR 5 HH TYR 5 8.350 4.316 7.380
50 H LYS 6 H LYS 6 2.293 1.284 1.716
51 HA LYS 6 HA LYS 6 2.900 0.183 -0.967
52 1HB LYS 6 2HB LYS 6 1.294 -1.189 0.401
53 2HB LYS 6 1HB LYS 6 0.192 0.181 0.393
54 1HG LYS 6 2HG LYS 6 0.244 0.065 -2.132
55 2HG LYS 6 1HG LYS 6 1.113 -1.461 -1.962
56 1HD LYS 6 2HD LYS 6 -0.827 -2.256 -0.531
57 2HD LYS 6 1HD LYS 6 -1.691 -0.810 -1.058
58 1HE LYS 6 2HE LYS 6 -0.626 -3.014 -2.829
59 2HE LYS 6 1HE LYS 6 -2.311 -2.723 -2.424
60 1HZ LYS 6 1HZ LYS 6 -0.599 -0.814 -3.925
61 2HZ LYS 6 2HZ LYS 6 -2.259 -0.668 -3.636
62 3HZ LYS 6 3HZ LYS 6 -1.679 -1.905 -4.638
63 H ILE 7 H ILE 7 2.759 1.631 -2.589
64 HA ILE 7 HA ILE 7 1.342 4.159 -2.139
65 HB ILE 7 HB ILE 7 3.070 3.350 -4.501
66 1HG1 ILE 7 2HG1 ILE 7 4.668 5.078 -3.464
67 2HG1 ILE 7 1HG1 ILE 7 3.696 4.953 -2.005
68 1HG2 ILE 7 1HG2 ILE 7 1.419 5.038 -5.094
69 2HG2 ILE 7 2HG2 ILE 7 3.034 5.745 -5.066
70 3HG2 ILE 7 3HG2 ILE 7 1.920 6.037 -3.730
71 1HD1 ILE 7 1HD1 ILE 7 5.691 3.586 -1.859
72 2HD1 ILE 7 2HD1 ILE 7 5.219 2.710 -3.314
73 3HD1 ILE 7 3HD1 ILE 7 4.246 2.576 -1.850
74 H LEU 8 H LEU 8 -0.502 4.753 -3.241
75 HA LEU 8 HA LEU 8 -1.498 3.162 -5.461
76 1HB LEU 8 2HB LEU 8 -3.586 2.533 -4.403
77 2HB LEU 8 1HB LEU 8 -2.234 1.860 -3.513
78 HG LEU 8 HG LEU 8 -3.646 4.390 -2.643
79 1HD1 LEU 8 1HD1 LEU 8 -4.216 1.562 -1.748
80 2HD1 LEU 8 2HD1 LEU 8 -5.281 2.568 -2.729
81 3HD1 LEU 8 3HD1 LEU 8 -4.917 3.031 -1.068
82 1HD2 LEU 8 1HD2 LEU 8 -1.915 2.424 -1.131
83 2HD2 LEU 8 2HD2 LEU 8 -2.655 3.887 -0.475
84 3HD2 LEU 8 3HD2 LEU 8 -1.404 4.010 -1.710
85 H SER 9 H SER 9 -3.769 3.990 -6.118
86 HA SER 9 HA SER 9 -3.722 6.902 -6.149
87 1HB SER 9 2HB SER 9 -4.253 5.800 -8.237
88 2HB SER 9 1HB SER 9 -5.562 4.895 -7.479
89 HG SER 9 HG SER 9 -5.907 7.057 -8.730
90 H ARG 10 H ARG 10 -5.421 8.261 -5.426
91 HA ARG 10 HA ARG 10 -6.649 7.615 -2.986
92 1HB ARG 10 2HB ARG 10 -6.255 9.922 -4.332
93 2HB ARG 10 1HB ARG 10 -7.955 9.683 -4.697
94 1HG ARG 10 2HG ARG 10 -6.768 9.805 -1.921
95 2HG ARG 10 1HG ARG 10 -7.580 11.134 -2.742
96 1HD ARG 10 2HD ARG 10 -9.653 9.826 -2.811
97 2HD ARG 10 1HD ARG 10 -8.837 8.487 -2.015
98 HE ARG 10 HE ARG 10 -8.857 9.672 -0.014
99 1HH1 ARG 10 1HH1 ARG 10 -10.285 11.520 -2.554
100 2HH1 ARG 10 2HH1 ARG 10 -10.995 12.655 -1.458
101 1HH2 ARG 10 1HH2 ARG 10 -9.776 11.148 1.362
102 2HH2 ARG 10 2HH2 ARG 10 -10.710 12.452 0.715
103 H ALA 11 H ALA 11 -7.778 7.310 -6.301
104 HA ALA 11 HA ALA 11 -10.496 6.777 -5.844
105 1HB ALA 11 1HB ALA 11 -10.500 5.753 -8.050
106 2HB ALA 11 2HB ALA 11 -8.738 5.653 -8.029
107 3HB ALA 11 3HB ALA 11 -9.532 7.227 -8.064
108 H GLU 12 H GLU 12 -7.690 4.606 -5.843
109 HA GLU 12 HA GLU 12 -9.049 2.163 -5.486
110 1HB GLU 12 2HB GLU 12 -6.312 3.013 -4.498
111 2HB GLU 12 1HB GLU 12 -6.896 1.357 -4.529
112 1HG GLU 12 2HG GLU 12 -6.990 1.388 -6.944
113 2HG GLU 12 1HG GLU 12 -6.535 3.095 -6.964
114 H TRP 13 H TRP 13 -7.584 4.366 -3.112
115 HA TRP 13 HA TRP 13 -8.122 2.816 -0.846
116 1HB TRP 13 2HB TRP 13 -6.441 4.564 -0.839
117 2HB TRP 13 1HB TRP 13 -7.676 5.796 -1.082
118 HD1 TRP 13 HD1 TRP 13 -8.054 7.080 1.082
119 HE1 TRP 13 HE1 TRP 13 -8.138 6.494 3.600
120 HE3 TRP 13 HE3 TRP 13 -7.066 2.065 0.799
121 HZ2 TRP 13 HZ2 TRP 13 -7.850 4.215 5.228
122 HZ3 TRP 13 HZ3 TRP 13 -6.999 0.758 2.884
123 HH2 TRP 13 HH2 TRP 13 -7.382 1.813 5.050
124 H ASP 14 H ASP 14 -9.859 5.813 -1.852
125 HA ASP 14 HA ASP 14 -11.799 5.600 0.168
126 1HB ASP 14 2HB ASP 14 -11.496 7.235 -2.289
127 2HB ASP 14 1HB ASP 14 -13.127 7.100 -1.634
128 H ALA 15 H ALA 15 -11.767 4.199 -3.081
129 HA ALA 15 HA ALA 15 -14.457 3.302 -3.086
130 1HB ALA 15 1HB ALA 15 -13.062 3.319 -5.109
131 2HB ALA 15 2HB ALA 15 -13.768 1.728 -4.814
132 3HB ALA 15 3HB ALA 15 -12.070 2.028 -4.432
133 H ALA 16 H ALA 16 -11.471 1.452 -2.373
134 HA ALA 16 HA ALA 16 -12.751 -0.822 -1.318
135 1HB ALA 16 1HB ALA 16 -10.570 -1.411 -0.390
136 2HB ALA 16 2HB ALA 16 -9.988 0.225 -0.703
137 3HB ALA 16 3HB ALA 16 -10.423 -0.827 -2.048
138 H LYS 17 H LYS 17 -11.928 2.229 0.154
139 HA LYS 17 HA LYS 17 -12.233 1.440 2.878
140 1HB LYS 17 2HB LYS 17 -10.956 3.430 2.157
141 2HB LYS 17 1HB LYS 17 -12.449 4.188 1.629
142 1HG LYS 17 2HG LYS 17 -13.244 4.358 3.880
143 2HG LYS 17 1HG LYS 17 -11.912 3.368 4.481
144 1HD LYS 17 2HD LYS 17 -11.556 5.777 4.908
145 2HD LYS 17 1HD LYS 17 -10.309 5.088 3.869
146 1HE LYS 17 2HE LYS 17 -11.489 5.986 1.896
147 2HE LYS 17 1HE LYS 17 -12.686 6.717 2.962
148 1HZ LYS 17 1HZ LYS 17 -9.789 7.362 2.882
149 2HZ LYS 17 2HZ LYS 17 -10.905 8.037 3.956
150 3HZ LYS 17 3HZ LYS 17 -11.046 8.326 2.294
151 H ALA 18 H ALA 18 -14.446 2.506 0.383
152 HA ALA 18 HA ALA 18 -16.727 2.726 2.128
153 1HB ALA 18 1HB ALA 18 -18.037 2.839 0.065
154 2HB ALA 18 2HB ALA 18 -16.618 2.373 -0.874
155 3HB ALA 18 3HB ALA 18 -16.641 3.914 -0.017
156 H GLN 19 H GLN 19 -15.204 0.175 0.265
157 HA GLN 19 HA GLN 19 -17.309 -1.759 0.657
158 1HB GLN 19 2HB GLN 19 -14.437 -2.391 -0.041
159 2HB GLN 19 1HB GLN 19 -15.876 -3.321 -0.427
160 1HG GLN 19 2HG GLN 19 -15.225 -0.616 -1.583
161 2HG GLN 19 1HG GLN 19 -14.871 -2.150 -2.367
162 1HE2 GLN 19 1HE2 GLN 19 -16.142 -1.602 -4.130
163 2HE2 GLN 19 2HE2 GLN 19 -17.864 -1.590 -4.066
164 H GLY 20 H GLY 20 -14.430 -0.773 2.368
165 1HA GLY 20 2HA GLY 20 -14.021 -1.194 4.659
166 2HA GLY 20 1HA GLY 20 -15.076 -2.594 4.577
167 H ARG 21 H ARG 21 -13.129 -2.782 1.924
168 HA ARG 21 HA ARG 21 -10.927 -4.179 3.235
169 1HB ARG 21 2HB ARG 21 -11.434 -6.256 1.826
170 2HB ARG 21 1HB ARG 21 -12.475 -5.968 3.215
171 1HG ARG 21 2HG ARG 21 -14.166 -4.970 1.704
172 2HG ARG 21 1HG ARG 21 -13.135 -5.366 0.329
173 1HD ARG 21 2HD ARG 21 -14.135 -7.438 2.282
174 2HD ARG 21 1HD ARG 21 -15.026 -6.985 0.831
175 HE ARG 21 HE ARG 21 -12.909 -7.686 -0.382
176 1HH1 ARG 21 1HH1 ARG 21 -13.901 -9.095 2.598
177 2HH1 ARG 21 2HH1 ARG 21 -13.175 -10.622 2.244
178 1HH2 ARG 21 1HH2 ARG 21 -11.992 -9.674 -0.829
179 2HH2 ARG 21 2HH2 ARG 21 -12.109 -10.945 0.342
180 H PHE 22 H PHE 22 -9.096 -3.770 2.138
181 HA PHE 22 HA PHE 22 -9.224 -2.890 -0.653
182 1HB PHE 22 2HB PHE 22 -7.884 -1.608 1.057
183 2HB PHE 22 1HB PHE 22 -6.799 -2.990 1.166
184 HD1 PHE 22 HD1 PHE 22 -8.061 -0.338 -1.066
185 HD2 PHE 22 HD2 PHE 22 -5.122 -3.374 -0.511
186 HE1 PHE 22 HE1 PHE 22 -6.797 0.533 -2.984
187 HE2 PHE 22 HE2 PHE 22 -3.858 -2.498 -2.425
188 HZ PHE 22 HZ PHE 22 -4.693 -0.546 -3.664
189 H GLU 23 H GLU 23 -8.944 -4.325 -2.246
190 HA GLU 23 HA GLU 23 -7.627 -6.884 -1.601
191 1HB GLU 23 2HB GLU 23 -9.794 -6.273 -3.621
192 2HB GLU 23 1HB GLU 23 -9.035 -7.849 -3.415
193 1HG GLU 23 2HG GLU 23 -9.843 -7.945 -1.113
194 2HG GLU 23 1HG GLU 23 -10.593 -6.362 -1.302
195 H GLY 24 H GLY 24 -6.727 -4.152 -3.062
196 1HA GLY 24 2HA GLY 24 -4.463 -4.244 -3.958
197 2HA GLY 24 1HA GLY 24 -4.926 -5.681 -4.848
198 H SER 25 H SER 25 -3.664 -3.941 -6.270
199 HA SER 25 HA SER 25 -5.708 -2.613 -7.943
200 1HB SER 25 2HB SER 25 -4.386 -0.922 -6.722
201 2HB SER 25 1HB SER 25 -2.900 -1.612 -7.371
202 HG SER 25 HG SER 25 -4.098 0.309 -8.439
203 H ALA 26 H ALA 26 -4.357 -1.952 -10.136
204 HA ALA 26 HA ALA 26 -4.089 -4.311 -11.591
205 1HB ALA 26 1HB ALA 26 -3.205 -2.941 -13.394
206 2HB ALA 26 2HB ALA 26 -2.878 -1.628 -12.262
207 3HB ALA 26 3HB ALA 26 -4.541 -2.114 -12.593
208 H VAL 27 H VAL 27 -1.609 -2.476 -9.884
209 HA VAL 27 HA VAL 27 0.637 -3.886 -10.943
210 HB VAL 27 HB VAL 27 0.451 -2.423 -8.294
211 1HG1 VAL 27 1HG1 VAL 27 2.884 -2.139 -8.544
212 2HG1 VAL 27 2HG1 VAL 27 2.841 -3.116 -10.012
213 3HG1 VAL 27 3HG1 VAL 27 2.426 -3.840 -8.459
214 1HG2 VAL 27 1HG2 VAL 27 -0.249 -0.955 -10.106
215 2HG2 VAL 27 2HG2 VAL 27 1.199 -1.362 -11.026
216 3HG2 VAL 27 3HG2 VAL 27 1.339 -0.471 -9.511
217 H ASP 28 H ASP 28 -1.228 -4.208 -7.927
218 HA ASP 28 HA ASP 28 0.185 -6.393 -6.858
219 1HB ASP 28 2HB ASP 28 -2.730 -5.668 -6.457
220 2HB ASP 28 1HB ASP 28 -1.761 -6.699 -5.405
221 H LEU 29 H LEU 29 -2.588 -6.229 -9.043
222 HA LEU 29 HA LEU 29 -2.985 -9.054 -9.216
223 1HB LEU 29 2HB LEU 29 -3.859 -6.841 -11.084
224 2HB LEU 29 1HB LEU 29 -4.437 -8.497 -11.139
225 HG LEU 29 HG LEU 29 -4.862 -6.572 -8.841
226 1HD1 LEU 29 1HD1 LEU 29 -6.158 -5.926 -10.789
227 2HD1 LEU 29 2HD1 LEU 29 -7.214 -6.600 -9.547
228 3HD1 LEU 29 3HD1 LEU 29 -6.774 -7.571 -10.953
229 1HD2 LEU 29 1HD2 LEU 29 -5.893 -9.375 -9.286
230 2HD2 LEU 29 2HD2 LEU 29 -6.400 -8.295 -7.988
231 3HD2 LEU 29 3HD2 LEU 29 -4.734 -8.865 -8.058
232 H ALA 30 H ALA 30 -0.832 -6.828 -10.792
233 HA ALA 30 HA ALA 30 -0.154 -8.402 -13.058
234 1HB ALA 30 1HB ALA 30 1.555 -6.378 -11.600
235 2HB ALA 30 2HB ALA 30 0.401 -6.012 -12.883
236 3HB ALA 30 3HB ALA 30 1.826 -6.992 -13.232
237 H ASP 31 H ASP 31 1.229 -8.186 -9.784
238 HA ASP 31 HA ASP 31 3.050 -10.374 -10.164
239 1HB ASP 31 2HB ASP 31 1.917 -9.079 -7.670
240 2HB ASP 31 1HB ASP 31 3.107 -10.376 -7.631
241 H GLY 32 H GLY 32 0.012 -10.111 -8.318
242 1HA GLY 32 2HA GLY 32 -1.438 -12.228 -9.075
243 2HA GLY 32 1HA GLY 32 -0.207 -13.007 -8.088
244 H PHE 33 H PHE 33 0.157 -11.324 -6.030
245 HA PHE 33 HA PHE 33 -2.497 -10.795 -4.855
246 1HB PHE 33 2HB PHE 33 -0.127 -12.119 -3.508
247 2HB PHE 33 1HB PHE 33 -1.535 -11.519 -2.640
248 HD1 PHE 33 HD1 PHE 33 -3.722 -12.613 -2.900
249 HD2 PHE 33 HD2 PHE 33 -0.219 -14.170 -4.768
250 HE1 PHE 33 HE1 PHE 33 -4.867 -14.760 -3.260
251 HE2 PHE 33 HE2 PHE 33 -1.363 -16.316 -5.131
252 HZ PHE 33 HZ PHE 33 -3.691 -16.613 -4.377
253 H ILE 34 H ILE 34 -2.275 -9.359 -2.845
254 HA ILE 34 HA ILE 34 -1.228 -6.878 -3.535
255 HB ILE 34 HB ILE 34 -1.788 -7.911 -0.741
256 1HG1 ILE 34 2HG1 ILE 34 -3.601 -6.436 -2.677
257 2HG1 ILE 34 1HG1 ILE 34 -3.719 -8.145 -2.271
258 1HG2 ILE 34 1HG2 ILE 34 -1.626 -5.074 -1.769
259 2HG2 ILE 34 2HG2 ILE 34 -0.469 -5.861 -0.696
260 3HG2 ILE 34 3HG2 ILE 34 -2.113 -5.551 -0.141
261 1HD1 ILE 34 1HD1 ILE 34 -5.384 -6.850 -1.083
262 2HD1 ILE 34 2HD1 ILE 34 -4.123 -5.842 -0.374
263 3HD1 ILE 34 3HD1 ILE 34 -4.227 -7.552 0.048
264 H HIS 35 H HIS 35 0.726 -5.876 -3.269
265 HA HIS 35 HA HIS 35 2.737 -7.102 -1.530
266 1HB HIS 35 2HB HIS 35 4.466 -7.012 -3.316
267 2HB HIS 35 1HB HIS 35 3.188 -8.177 -3.639
268 HD1 HIS 35 HD1 HIS 35 4.570 -4.915 -4.841
269 HD2 HIS 35 HD2 HIS 35 1.648 -7.658 -5.903
270 HE1 HIS 35 HE1 HIS 35 3.883 -4.285 -7.163
271 HE2 HIS 35 HE2 HIS 35 2.330 -6.129 -7.875
272 H LEU 36 H LEU 36 3.725 -5.625 -0.359
273 HA LEU 36 HA LEU 36 3.489 -2.802 -1.129
274 1HB LEU 36 2HB LEU 36 4.263 -4.072 1.514
275 2HB LEU 36 1HB LEU 36 4.111 -2.347 1.231
276 HG LEU 36 HG LEU 36 1.660 -2.872 0.573
277 1HD1 LEU 36 1HD1 LEU 36 1.892 -5.303 0.428
278 2HD1 LEU 36 2HD1 LEU 36 0.679 -4.836 1.617
279 3HD1 LEU 36 3HD1 LEU 36 2.274 -5.373 2.149
280 1HD2 LEU 36 1HD2 LEU 36 2.295 -1.643 2.584
281 2HD2 LEU 36 2HD2 LEU 36 2.540 -3.163 3.443
282 3HD2 LEU 36 3HD2 LEU 36 0.928 -2.713 2.892
283 H SER 37 H SER 37 5.645 -1.779 0.395
284 HA SER 37 HA SER 37 8.050 -2.984 -0.806
285 1HB SER 37 2HB SER 37 8.851 -0.761 -1.523
286 2HB SER 37 1HB SER 37 7.348 -1.199 -2.332
287 HG SER 37 HG SER 37 6.250 0.111 -0.770
288 H ALA 38 H ALA 38 10.028 -2.492 0.281
289 HA ALA 38 HA ALA 38 9.593 -1.812 3.105
290 1HB ALA 38 1HB ALA 38 10.581 -3.989 2.626
291 2HB ALA 38 2HB ALA 38 11.704 -2.967 3.523
292 3HB ALA 38 3HB ALA 38 11.923 -3.209 1.789
293 H GLY 39 H GLY 39 9.886 0.297 3.522
294 1HA GLY 39 2HA GLY 39 10.961 2.290 3.861
295 2HA GLY 39 1HA GLY 39 12.445 1.367 3.742
296 H GLU 40 H GLU 40 13.732 1.628 1.986
297 HA GLU 40 HA GLU 40 13.524 3.969 0.470
298 1HB GLU 40 2HB GLU 40 15.666 2.889 0.902
299 2HB GLU 40 1HB GLU 40 15.183 1.488 -0.043
300 1HG GLU 40 2HG GLU 40 15.072 2.921 -2.053
301 2HG GLU 40 1HG GLU 40 15.646 4.279 -1.088
302 H GLN 41 H GLN 41 12.725 0.624 -0.382
303 HA GLN 41 HA GLN 41 12.303 0.870 -3.109
304 1HB GLN 41 2HB GLN 41 10.766 -0.854 -1.148
305 2HB GLN 41 1HB GLN 41 10.787 -1.076 -2.893
306 1HG GLN 41 2HG GLN 41 13.174 -1.549 -2.826
307 2HG GLN 41 1HG GLN 41 13.189 -1.277 -1.083
308 1HE2 GLN 41 1HE2 GLN 41 12.228 -3.438 -3.635
309 2HE2 GLN 41 2HE2 GLN 41 11.854 -4.784 -2.617
310 H ALA 42 H ALA 42 10.245 1.942 -0.489
311 HA ALA 42 HA ALA 42 7.842 2.304 -1.924
312 1HB ALA 42 1HB ALA 42 7.187 3.783 -0.090
313 2HB ALA 42 2HB ALA 42 8.854 3.814 0.489
314 3HB ALA 42 3HB ALA 42 7.937 2.307 0.516
315 H GLN 43 H GLN 43 10.317 4.729 -1.015
316 HA GLN 43 HA GLN 43 9.245 6.838 -2.534
317 1HB GLN 43 2HB GLN 43 10.816 7.352 -0.811
318 2HB GLN 43 1HB GLN 43 12.043 6.312 -1.525
319 1HG GLN 43 2HG GLN 43 12.384 7.815 -3.340
320 2HG GLN 43 1HG GLN 43 10.973 8.774 -2.891
321 1HE2 GLN 43 1HE2 GLN 43 11.115 10.192 -1.190
322 2HE2 GLN 43 2HE2 GLN 43 12.625 10.669 -0.497
323 H GLU 44 H GLU 44 11.741 4.442 -3.339
324 HA GLU 44 HA GLU 44 12.454 5.369 -5.861
325 1HB GLU 44 2HB GLU 44 12.241 2.509 -4.888
326 2HB GLU 44 1HB GLU 44 13.076 3.006 -6.354
327 1HG GLU 44 2HG GLU 44 13.795 3.859 -3.551
328 2HG GLU 44 1HG GLU 44 14.614 2.613 -4.489
329 H THR 45 H THR 45 9.986 2.863 -5.142
330 HA THR 45 HA THR 45 8.956 2.628 -7.730
331 HB THR 45 HB THR 45 7.448 2.285 -5.121
332 HG1 THR 45 HG1 THR 45 8.918 0.741 -4.964
333 1HG2 THR 45 1HG2 THR 45 5.992 0.775 -6.401
334 2HG2 THR 45 2HG2 THR 45 6.869 1.178 -7.876
335 3HG2 THR 45 3HG2 THR 45 5.931 2.418 -7.043
336 H ALA 46 H ALA 46 8.110 4.899 -5.151
337 HA ALA 46 HA ALA 46 5.873 6.091 -6.399
338 1HB ALA 46 1HB ALA 46 6.404 6.325 -4.004
339 2HB ALA 46 2HB ALA 46 6.144 7.882 -4.786
340 3HB ALA 46 3HB ALA 46 7.784 7.343 -4.420
341 H ALA 47 H ALA 47 9.334 6.770 -6.627
342 HA ALA 47 HA ALA 47 8.939 9.156 -8.234
343 1HB ALA 47 1HB ALA 47 11.375 9.288 -8.272
344 2HB ALA 47 2HB ALA 47 11.485 7.687 -7.539
345 3HB ALA 47 3HB ALA 47 10.788 9.027 -6.629
346 H LYS 48 H LYS 48 9.489 5.769 -8.815
347 HA LYS 48 HA LYS 48 10.363 6.155 -11.545
348 1HB LYS 48 2HB LYS 48 9.768 3.669 -9.933
349 2HB LYS 48 1HB LYS 48 10.411 3.673 -11.560
350 1HG LYS 48 2HG LYS 48 12.443 4.751 -10.820
351 2HG LYS 48 1HG LYS 48 11.786 4.925 -9.190
352 1HD LYS 48 2HD LYS 48 11.639 2.434 -9.049
353 2HD LYS 48 1HD LYS 48 12.446 2.340 -10.615
354 1HE LYS 48 2HE LYS 48 13.591 3.564 -8.098
355 2HE LYS 48 1HE LYS 48 14.022 1.995 -8.773
356 1HZ LYS 48 1HZ LYS 48 14.733 3.236 -10.813
357 2HZ LYS 48 2HZ LYS 48 15.679 3.505 -9.439
358 3HZ LYS 48 3HZ LYS 48 14.558 4.669 -9.929
359 H TRP 49 H TRP 49 7.602 4.469 -9.981
360 HA TRP 49 HA TRP 49 6.340 4.191 -12.614
361 1HB TRP 49 2HB TRP 49 5.622 2.864 -9.989
362 2HB TRP 49 1HB TRP 49 4.951 2.470 -11.570
363 HD1 TRP 49 HD1 TRP 49 7.923 1.789 -9.342
364 HE1 TRP 49 HE1 TRP 49 9.474 0.078 -10.474
365 HE3 TRP 49 HE3 TRP 49 5.787 1.698 -13.984
366 HZ2 TRP 49 HZ2 TRP 49 9.759 -1.149 -12.992
367 HZ3 TRP 49 HZ3 TRP 49 6.762 0.224 -15.700
368 HH2 TRP 49 HH2 TRP 49 8.708 -1.170 -15.213
369 H PHE 50 H PHE 50 5.732 5.747 -9.517
370 HA PHE 50 HA PHE 50 2.966 6.337 -10.313
371 1HB PHE 50 2HB PHE 50 4.352 6.476 -7.628
372 2HB PHE 50 1HB PHE 50 2.729 7.102 -7.907
373 HD1 PHE 50 HD2 PHE 50 0.861 5.602 -8.306
374 HD2 PHE 50 HD1 PHE 50 4.779 4.080 -7.594
375 HE1 PHE 50 HE2 PHE 50 -0.085 3.369 -7.898
376 HE2 PHE 50 HE1 PHE 50 3.834 1.845 -7.192
377 HZ PHE 50 HZ PHE 50 1.400 1.485 -7.341
378 H ARG 51 H ARG 51 4.158 7.777 -11.909
379 HA ARG 51 HA ARG 51 4.853 10.366 -10.728
380 1HB ARG 51 2HB ARG 51 5.614 9.010 -13.302
381 2HB ARG 51 1HB ARG 51 5.898 10.703 -13.013
382 1HG ARG 51 2HG ARG 51 7.024 8.448 -11.380
383 2HG ARG 51 1HG ARG 51 7.897 9.382 -12.595
384 1HD ARG 51 2HD ARG 51 8.547 10.357 -10.572
385 2HD ARG 51 1HD ARG 51 7.290 11.439 -11.173
386 HE ARG 51 HE ARG 51 6.587 9.344 -9.239
387 1HH1 ARG 51 1HH1 ARG 51 6.840 12.683 -10.038
388 2HH1 ARG 51 2HH1 ARG 51 6.078 13.194 -8.577
389 1HH2 ARG 51 1HH2 ARG 51 5.587 10.015 -7.393
390 2HH2 ARG 51 2HH2 ARG 51 5.374 11.706 -7.097
391 H GLY 52 H GLY 52 3.817 12.197 -11.273
392 1HA GLY 52 2HA GLY 52 2.302 13.649 -12.181
393 2HA GLY 52 1HA GLY 52 2.530 12.762 -13.675
394 H GLN 53 H GLN 53 1.061 11.564 -10.655
395 HA GLN 53 HA GLN 53 -1.492 11.288 -12.129
396 1HB GLN 53 2HB GLN 53 -0.418 9.524 -9.914
397 2HB GLN 53 1HB GLN 53 -1.980 9.335 -10.699
398 1HG GLN 53 2HG GLN 53 -0.815 8.940 -12.846
399 2HG GLN 53 1HG GLN 53 0.727 9.044 -11.997
400 1HE2 GLN 53 1HE2 GLN 53 1.290 7.381 -10.551
401 2HE2 GLN 53 2HE2 GLN 53 0.533 5.834 -10.620
402 H ALA 54 H ALA 54 -3.407 11.832 -11.106
403 HA ALA 54 HA ALA 54 -3.148 13.904 -9.126
404 1HB ALA 54 1HB ALA 54 -5.636 12.792 -10.426
405 2HB ALA 54 2HB ALA 54 -4.678 14.147 -11.022
406 3HB ALA 54 3HB ALA 54 -5.530 14.281 -9.484
407 H ASN 55 H ASN 55 -3.405 13.775 -7.019
408 HA ASN 55 HA ASN 55 -3.868 13.069 -4.927
409 1HB ASN 55 2HB ASN 55 -6.240 11.750 -6.270
410 2HB ASN 55 1HB ASN 55 -6.060 11.995 -4.535
411 1HD2 ASN 55 1HD2 ASN 55 -8.102 13.003 -6.342
412 2HD2 ASN 55 2HD2 ASN 55 -8.066 14.721 -6.195
413 H LEU 56 H LEU 56 -1.972 11.792 -4.806
414 HA LEU 56 HA LEU 56 -2.339 8.890 -5.099
415 1HB LEU 56 2HB LEU 56 0.174 10.530 -4.725
416 2HB LEU 56 1HB LEU 56 0.139 8.778 -4.808
417 HG LEU 56 HG LEU 56 -0.646 10.674 -7.033
418 1HD1 LEU 56 1HD1 LEU 56 1.323 9.793 -8.179
419 2HD1 LEU 56 2HD1 LEU 56 1.721 8.817 -6.763
420 3HD1 LEU 56 3HD1 LEU 56 1.766 10.578 -6.663
421 1HD2 LEU 56 1HD2 LEU 56 -2.028 8.682 -7.104
422 2HD2 LEU 56 2HD2 LEU 56 -0.601 7.653 -6.959
423 3HD2 LEU 56 3HD2 LEU 56 -0.839 8.634 -8.403
424 H VAL 57 H VAL 57 -2.331 7.533 -3.395
425 HA VAL 57 HA VAL 57 -1.975 8.700 -0.700
426 HB VAL 57 HB VAL 57 -3.675 6.308 -1.479
427 1HG1 VAL 57 1HG1 VAL 57 -2.828 6.121 0.800
428 2HG1 VAL 57 2HG1 VAL 57 -4.558 6.460 0.814
429 3HG1 VAL 57 3HG1 VAL 57 -3.406 7.747 1.167
430 1HG2 VAL 57 1HG2 VAL 57 -4.504 9.121 -0.753
431 2HG2 VAL 57 2HG2 VAL 57 -5.600 7.762 -0.999
432 3HG2 VAL 57 3HG2 VAL 57 -4.634 8.370 -2.344
433 H LEU 58 H LEU 58 -0.921 7.423 0.897
434 HA LEU 58 HA LEU 58 0.517 5.044 -0.080
435 1HB LEU 58 2HB LEU 58 1.859 7.272 0.193
436 2HB LEU 58 1HB LEU 58 1.749 6.938 1.909
437 HG LEU 58 HG LEU 58 3.029 5.120 -0.147
438 1HD1 LEU 58 1HD1 LEU 58 4.288 6.924 1.923
439 2HD1 LEU 58 2HD1 LEU 58 4.325 7.149 0.172
440 3HD1 LEU 58 3HD1 LEU 58 5.148 5.770 0.900
441 1HD2 LEU 58 1HD2 LEU 58 2.118 3.844 1.704
442 2HD2 LEU 58 2HD2 LEU 58 2.916 4.906 2.864
443 3HD2 LEU 58 3HD2 LEU 58 3.877 3.881 1.798
444 H LEU 59 H LEU 59 -0.237 3.346 1.024
445 HA LEU 59 HA LEU 59 -1.253 3.661 3.742
446 1HB LEU 59 2HB LEU 59 -1.173 1.227 1.951
447 2HB LEU 59 1HB LEU 59 -1.943 1.303 3.526
448 HG LEU 59 HG LEU 59 -2.770 2.854 1.067
449 1HD1 LEU 59 1HD1 LEU 59 -4.110 0.570 2.519
450 2HD1 LEU 59 2HD1 LEU 59 -3.333 0.487 0.936
451 3HD1 LEU 59 3HD1 LEU 59 -4.784 1.464 1.154
452 1HD2 LEU 59 1HD2 LEU 59 -4.670 3.621 2.410
453 2HD2 LEU 59 2HD2 LEU 59 -3.143 4.164 3.102
454 3HD2 LEU 59 3HD2 LEU 59 -4.006 2.806 3.826
455 H ALA 60 H ALA 60 0.282 3.708 5.262
456 HA ALA 60 HA ALA 60 2.603 1.922 5.076
457 1HB ALA 60 1HB ALA 60 3.512 3.218 6.948
458 2HB ALA 60 2HB ALA 60 2.019 4.154 7.027
459 3HB ALA 60 3HB ALA 60 3.052 4.261 5.603
460 H VAL 61 H VAL 61 2.207 -0.079 5.817
461 HA VAL 61 HA VAL 61 0.647 -0.381 8.316
462 HB VAL 61 HB VAL 61 0.896 -2.397 6.065
463 1HG1 VAL 61 1HG1 VAL 61 -0.873 -3.622 7.234
464 2HG1 VAL 61 2HG1 VAL 61 -0.854 -2.425 8.530
465 3HG1 VAL 61 3HG1 VAL 61 0.559 -3.442 8.249
466 1HG2 VAL 61 1HG2 VAL 61 -0.418 -0.485 5.330
467 2HG2 VAL 61 2HG2 VAL 61 -1.423 -0.590 6.776
468 3HG2 VAL 61 3HG2 VAL 61 -1.463 -1.883 5.576
469 H GLU 62 H GLU 62 1.471 -1.741 9.925
470 HA GLU 62 HA GLU 62 4.278 -2.299 9.846
471 1HB GLU 62 2HB GLU 62 3.143 -1.743 11.960
472 2HB GLU 62 1HB GLU 62 2.194 -3.222 11.844
473 1HG GLU 62 2HG GLU 62 4.148 -4.581 12.120
474 2HG GLU 62 1HG GLU 62 5.204 -3.176 12.001
475 H ALA 63 H ALA 63 5.307 -4.078 9.195
476 HA ALA 63 HA ALA 63 4.135 -6.026 7.611
477 1HB ALA 63 1HB ALA 63 6.735 -6.247 9.134
478 2HB ALA 63 2HB ALA 63 6.524 -5.461 7.568
479 3HB ALA 63 3HB ALA 63 6.267 -7.198 7.724
480 H GLU 64 H GLU 64 5.118 -6.295 11.020
481 HA GLU 64 HA GLU 64 4.541 -7.684 12.703
482 1HB GLU 64 2HB GLU 64 2.147 -8.182 10.934
483 2HB GLU 64 1HB GLU 64 2.308 -8.841 12.554
484 1HG GLU 64 2HG GLU 64 2.585 -6.437 13.342
485 2HG GLU 64 1HG GLU 64 2.025 -5.963 11.738
486 HA PRO 65 HA PRO 65 5.918 -11.890 11.990
487 1HB PRO 65 2HB PRO 65 3.716 -12.728 13.822
488 2HB PRO 65 1HB PRO 65 5.443 -13.094 13.898
489 1HG PRO 65 2HG PRO 65 4.359 -11.320 15.561
490 2HG PRO 65 1HG PRO 65 5.968 -11.041 14.863
491 1HD PRO 65 2HD PRO 65 3.334 -9.819 14.115
492 2HD PRO 65 1HD PRO 65 4.946 -9.074 14.189
493 H LEU 66 H LEU 66 2.370 -11.970 12.483
494 HA LEU 66 HA LEU 66 0.941 -13.597 11.552
495 1HB LEU 66 2HB LEU 66 0.172 -12.462 9.323
496 2HB LEU 66 1HB LEU 66 -0.083 -11.691 10.875
497 HG LEU 66 HG LEU 66 2.043 -10.374 10.438
498 1HD1 LEU 66 1HD1 LEU 66 3.000 -11.772 8.697
499 2HD1 LEU 66 2HD1 LEU 66 2.759 -10.122 8.125
500 3HD1 LEU 66 3HD1 LEU 66 1.643 -11.397 7.632
501 1HD2 LEU 66 1HD2 LEU 66 -0.297 -9.959 8.576
502 2HD2 LEU 66 2HD2 LEU 66 0.912 -8.745 9.001
503 3HD2 LEU 66 3HD2 LEU 66 -0.169 -9.382 10.239
504 H GLY 67 H GLY 67 2.612 -15.281 11.359
505 1HA GLY 67 2HA GLY 67 4.229 -15.899 9.272
506 2HA GLY 67 1HA GLY 67 3.386 -17.114 10.208
507 H GLU 68 H GLU 68 4.098 -16.392 7.217
508 HA GLU 68 HA GLU 68 3.486 -17.379 5.283
509 1HB GLU 68 2HB GLU 68 2.567 -19.243 6.574
510 2HB GLU 68 1HB GLU 68 1.042 -18.387 6.747
511 1HG GLU 68 2HG GLU 68 0.501 -18.641 4.482
512 2HG GLU 68 1HG GLU 68 2.162 -19.030 4.039
513 H ASP 69 H ASP 69 1.179 -15.274 6.900
514 HA ASP 69 HA ASP 69 -0.244 -14.563 4.534
515 1HB ASP 69 2HB ASP 69 0.129 -13.218 7.194
516 2HB ASP 69 1HB ASP 69 -0.656 -12.363 5.871
517 H LEU 70 H LEU 70 2.641 -13.217 6.102
518 HA LEU 70 HA LEU 70 3.111 -11.516 3.745
519 1HB LEU 70 2HB LEU 70 3.187 -10.429 5.958
520 2HB LEU 70 1HB LEU 70 4.475 -11.516 6.442
521 HG LEU 70 HG LEU 70 5.898 -10.545 4.614
522 1HD1 LEU 70 1HD1 LEU 70 4.118 -9.697 3.176
523 2HD1 LEU 70 2HD1 LEU 70 5.240 -8.414 3.628
524 3HD1 LEU 70 3HD1 LEU 70 3.664 -8.523 4.414
525 1HD2 LEU 70 1HD2 LEU 70 6.424 -8.496 5.815
526 2HD2 LEU 70 2HD2 LEU 70 6.104 -9.812 6.944
527 3HD2 LEU 70 3HD2 LEU 70 4.879 -8.576 6.665
528 H LYS 71 H LYS 71 4.941 -11.702 2.512
529 HA LYS 71 HA LYS 71 7.062 -13.565 3.215
530 1HB LYS 71 2HB LYS 71 5.422 -15.036 2.147
531 2HB LYS 71 1HB LYS 71 5.327 -13.957 0.762
532 1HG LYS 71 2HG LYS 71 7.807 -14.415 0.418
533 2HG LYS 71 1HG LYS 71 7.620 -15.723 1.590
534 1HD LYS 71 2HD LYS 71 6.107 -15.419 -1.012
535 2HD LYS 71 1HD LYS 71 7.407 -16.567 -0.694
536 1HE LYS 71 2HE LYS 71 6.067 -17.743 0.910
537 2HE LYS 71 1HE LYS 71 4.813 -16.506 0.847
538 1HZ LYS 71 1HZ LYS 71 5.598 -18.213 -1.446
539 2HZ LYS 71 2HZ LYS 71 4.322 -17.107 -1.405
540 3HZ LYS 71 3HZ LYS 71 4.267 -18.498 -0.449
541 H TRP 72 H TRP 72 8.992 -12.796 2.471
542 HA TRP 72 HA TRP 72 9.039 -10.455 0.782
543 1HB TRP 72 2HB TRP 72 11.305 -12.132 1.901
544 2HB TRP 72 1HB TRP 72 11.511 -10.604 1.045
545 HD1 TRP 72 HD1 TRP 72 10.613 -12.022 4.436
546 HE1 TRP 72 HE1 TRP 72 10.319 -10.097 6.119
547 HE3 TRP 72 HE3 TRP 72 10.720 -8.079 1.184
548 HZ2 TRP 72 HZ2 TRP 72 10.157 -7.282 6.074
549 HZ3 TRP 72 HZ3 TRP 72 10.488 -5.801 2.084
550 HH2 TRP 72 HH2 TRP 72 10.211 -5.411 4.479
551 H GLU 73 H GLU 73 7.840 -11.759 -0.889
552 HA GLU 73 HA GLU 73 9.297 -13.741 -2.395
553 1HB GLU 73 2HB GLU 73 6.913 -14.008 -2.095
554 2HB GLU 73 1HB GLU 73 6.599 -12.434 -2.809
555 1HG GLU 73 2HG GLU 73 7.243 -13.200 -4.975
556 2HG GLU 73 1HG GLU 73 7.857 -14.717 -4.318
557 H ALA 74 H ALA 74 10.420 -13.473 -4.232
558 HA ALA 74 HA ALA 74 10.106 -11.067 -5.851
559 1HB ALA 74 1HB ALA 74 12.774 -11.845 -4.664
560 2HB ALA 74 2HB ALA 74 11.815 -10.432 -4.218
561 3HB ALA 74 3HB ALA 74 12.504 -10.556 -5.838
562 H SER 75 H SER 75 11.494 -11.227 -7.879
563 HA SER 75 HA SER 75 11.589 -14.039 -8.802
564 1HB SER 75 2HB SER 75 10.624 -11.611 -10.347
565 2HB SER 75 1HB SER 75 10.774 -13.240 -11.003
566 HG SER 75 HG SER 75 9.084 -13.902 -9.824
567 H ARG 76 H ARG 76 12.695 -14.017 -11.136
568 HA ARG 76 HA ARG 76 14.445 -13.612 -12.514
569 1HB ARG 76 2HB ARG 76 14.810 -11.128 -10.842
570 2HB ARG 76 1HB ARG 76 15.837 -11.524 -12.215
571 1HG ARG 76 2HG ARG 76 13.922 -11.462 -13.707
572 2HG ARG 76 1HG ARG 76 12.843 -11.160 -12.343
573 1HD ARG 76 2HD ARG 76 15.113 -9.341 -13.154
574 2HD ARG 76 1HD ARG 76 13.439 -9.124 -13.664
575 HE ARG 76 HE ARG 76 12.950 -8.972 -11.189
576 1HH1 ARG 76 1HH1 ARG 76 16.010 -8.063 -12.485
577 2HH1 ARG 76 2HH1 ARG 76 16.278 -6.857 -11.280
578 1HH2 ARG 76 1HH2 ARG 76 13.314 -7.446 -9.644
579 2HH2 ARG 76 2HH2 ARG 76 14.781 -6.527 -9.666
580 H GLY 77 H GLY 77 15.364 -13.075 -9.092
581 1HA GLY 77 2HA GLY 77 16.954 -15.295 -8.812
582 2HA GLY 77 1HA GLY 77 18.024 -14.095 -9.516
583 H GLY 78 H GLY 78 16.826 -11.835 -8.116
584 1HA GLY 78 2HA GLY 78 17.440 -12.465 -5.300
585 2HA GLY 78 1HA GLY 78 18.335 -11.191 -6.111
586 H ALA 79 H ALA 79 17.629 -9.584 -4.725
587 HA ALA 79 HA ALA 79 16.322 -7.899 -3.952
588 1HB ALA 79 1HB ALA 79 14.466 -7.122 -5.301
589 2HB ALA 79 2HB ALA 79 14.422 -8.653 -6.175
590 3HB ALA 79 3HB ALA 79 15.812 -7.582 -6.346
591 H ARG 80 H ARG 80 13.741 -7.470 -3.410
592 HA ARG 80 HA ARG 80 12.376 -9.834 -2.490
593 1HB ARG 80 2HB ARG 80 12.442 -9.336 -0.107
594 2HB ARG 80 1HB ARG 80 14.079 -9.555 -0.712
595 1HG ARG 80 2HG ARG 80 14.432 -7.156 -0.734
596 2HG ARG 80 1HG ARG 80 12.759 -6.883 -0.245
597 1HD ARG 80 2HD ARG 80 13.246 -8.165 1.852
598 2HD ARG 80 1HD ARG 80 14.941 -8.207 1.366
599 HE ARG 80 HE ARG 80 14.136 -5.544 1.322
600 1HH1 ARG 80 1HH1 ARG 80 14.567 -8.060 3.652
601 2HH1 ARG 80 2HH1 ARG 80 14.869 -6.947 4.940
602 1HH2 ARG 80 1HH2 ARG 80 14.520 -4.145 2.996
603 2HH2 ARG 80 2HH2 ARG 80 14.871 -4.772 4.571
604 H PHE 81 H PHE 81 10.212 -9.465 -2.389
605 HA PHE 81 HA PHE 81 9.278 -6.705 -1.909
606 1HB PHE 81 2HB PHE 81 8.075 -8.664 -3.892
607 2HB PHE 81 1HB PHE 81 7.433 -7.070 -3.506
608 HD1 PHE 81 HD1 PHE 81 8.701 -5.037 -4.173
609 HD2 PHE 81 HD2 PHE 81 9.873 -8.937 -5.425
610 HE1 PHE 81 HE1 PHE 81 10.095 -4.051 -5.946
611 HE2 PHE 81 HE2 PHE 81 11.262 -7.955 -7.200
612 HZ PHE 81 HZ PHE 81 11.376 -5.508 -7.462
613 HA PRO 82 HA PRO 82 7.060 -8.959 1.294
614 1HB PRO 82 2HB PRO 82 5.714 -6.828 2.340
615 2HB PRO 82 1HB PRO 82 7.411 -7.175 2.690
616 1HG PRO 82 2HG PRO 82 6.240 -5.206 0.766
617 2HG PRO 82 1HG PRO 82 7.632 -5.024 1.847
618 1HD PRO 82 2HD PRO 82 7.876 -5.542 -0.817
619 2HD PRO 82 1HD PRO 82 9.063 -6.083 0.388
620 H HIS 83 H HIS 83 5.720 -10.204 -0.041
621 HA HIS 83 HA HIS 83 3.267 -9.066 -1.121
622 1HB HIS 83 2HB HIS 83 4.450 -11.847 -1.198
623 2HB HIS 83 1HB HIS 83 2.860 -11.472 -1.849
624 HD1 HIS 83 HD1 HIS 83 3.197 -11.657 -4.294
625 HD2 HIS 83 HD2 HIS 83 6.193 -9.427 -2.496
626 HE1 HIS 83 HE1 HIS 83 4.592 -10.781 -6.180
627 HE2 HIS 83 HE2 HIS 83 6.547 -9.680 -5.054
628 H LEU 84 H LEU 84 1.444 -8.954 0.001
629 HA LEU 84 HA LEU 84 1.055 -10.648 2.369
630 1HB LEU 84 2HB LEU 84 0.866 -8.155 2.561
631 2HB LEU 84 1HB LEU 84 -0.509 -8.217 1.475
632 HG LEU 84 HG LEU 84 -1.744 -9.583 3.124
633 1HD1 LEU 84 1HD1 LEU 84 -0.866 -9.836 5.399
634 2HD1 LEU 84 2HD1 LEU 84 0.667 -9.127 4.886
635 3HD1 LEU 84 3HD1 LEU 84 0.139 -10.671 4.215
636 1HD2 LEU 84 1HD2 LEU 84 -0.649 -6.993 4.229
637 2HD2 LEU 84 2HD2 LEU 84 -2.123 -7.802 4.763
638 3HD2 LEU 84 3HD2 LEU 84 -2.015 -7.160 3.125
639 H TYR 85 H TYR 85 -0.081 -12.469 2.027
640 HA TYR 85 HA TYR 85 -1.630 -12.810 -0.391
641 1HB TYR 85 2HB TYR 85 -0.960 -14.714 1.860
642 2HB TYR 85 1HB TYR 85 -1.867 -15.174 0.423
643 HD1 TYR 85 HD2 TYR 85 -0.760 -15.356 -1.748
644 HD2 TYR 85 HD1 TYR 85 1.443 -14.266 1.731
645 HE1 TYR 85 HE2 TYR 85 1.341 -15.801 -2.944
646 HE2 TYR 85 HE1 TYR 85 3.548 -14.705 0.539
647 HH TYR 85 HH TYR 85 3.746 -15.067 -2.795
648 H ARG 86 H ARG 86 -2.575 -11.318 2.298
649 HA ARG 86 HA ARG 86 -5.276 -12.526 2.293
650 1HB ARG 86 2HB ARG 86 -5.640 -11.622 4.493
651 2HB ARG 86 1HB ARG 86 -4.103 -12.476 4.513
652 1HG ARG 86 2HG ARG 86 -2.869 -10.444 4.500
653 2HG ARG 86 1HG ARG 86 -4.306 -9.493 4.127
654 1HD ARG 86 2HD ARG 86 -3.785 -9.174 6.434
655 2HD ARG 86 1HD ARG 86 -5.239 -10.163 6.342
656 HE ARG 86 HE ARG 86 -3.428 -12.061 6.610
657 1HH1 ARG 86 1HH1 ARG 86 -3.635 -9.018 8.237
658 2HH1 ARG 86 2HH1 ARG 86 -2.874 -9.612 9.674
659 1HH2 ARG 86 1HH2 ARG 86 -2.465 -12.817 8.478
660 2HH2 ARG 86 2HH2 ARG 86 -2.229 -11.743 9.809
661 HA PRO 87 HA PRO 87 -6.903 -8.686 0.555
662 1HB PRO 87 2HB PRO 87 -9.317 -9.198 2.205
663 2HB PRO 87 1HB PRO 87 -9.172 -9.029 0.452
664 1HG PRO 87 2HG PRO 87 -9.638 -11.415 1.581
665 2HG PRO 87 1HG PRO 87 -8.608 -11.255 0.145
666 1HD PRO 87 2HD PRO 87 -7.809 -11.620 3.019
667 2HD PRO 87 1HD PRO 87 -7.126 -12.362 1.555
668 H LEU 88 H LEU 88 -6.014 -6.861 1.406
669 HA LEU 88 HA LEU 88 -5.548 -6.582 4.191
670 1HB LEU 88 2HB LEU 88 -4.285 -5.615 2.078
671 2HB LEU 88 1HB LEU 88 -5.342 -4.241 2.337
672 HG LEU 88 HG LEU 88 -3.343 -5.349 4.326
673 1HD1 LEU 88 1HD1 LEU 88 -2.278 -4.191 2.484
674 2HD1 LEU 88 2HD1 LEU 88 -2.168 -3.227 3.956
675 3HD1 LEU 88 3HD1 LEU 88 -3.342 -2.803 2.711
676 1HD2 LEU 88 1HD2 LEU 88 -5.275 -4.436 5.497
677 2HD2 LEU 88 2HD2 LEU 88 -5.159 -2.945 4.561
678 3HD2 LEU 88 3HD2 LEU 88 -3.876 -3.381 5.690
679 H LEU 89 H LEU 89 -7.201 -6.267 5.537
680 HA LEU 89 HA LEU 89 -9.603 -4.902 4.831
681 1HB LEU 89 2HB LEU 89 -8.572 -5.693 7.563
682 2HB LEU 89 1HB LEU 89 -10.216 -5.198 7.198
683 HG LEU 89 HG LEU 89 -8.844 -7.696 6.177
684 1HD1 LEU 89 1HD1 LEU 89 -10.499 -8.871 7.567
685 2HD1 LEU 89 2HD1 LEU 89 -11.055 -7.319 8.195
686 3HD1 LEU 89 3HD1 LEU 89 -9.410 -7.867 8.522
687 1HD2 LEU 89 1HD2 LEU 89 -11.046 -8.287 5.256
688 2HD2 LEU 89 2HD2 LEU 89 -10.384 -6.837 4.505
689 3HD2 LEU 89 3HD2 LEU 89 -11.660 -6.699 5.717
690 H VAL 90 H VAL 90 -10.262 -2.834 5.228
691 HA VAL 90 HA VAL 90 -8.379 -0.779 5.504
692 HB VAL 90 HB VAL 90 -11.356 -0.666 6.058
693 1HG1 VAL 90 1HG1 VAL 90 -11.156 1.740 5.553
694 2HG1 VAL 90 2HG1 VAL 90 -9.404 1.564 5.444
695 3HG1 VAL 90 3HG1 VAL 90 -10.225 1.287 6.979
696 1HG2 VAL 90 1HG2 VAL 90 -9.863 -0.018 3.510
697 2HG2 VAL 90 2HG2 VAL 90 -11.610 -0.006 3.758
698 3HG2 VAL 90 3HG2 VAL 90 -10.726 -1.527 3.811
699 H SER 91 H SER 91 -10.337 -2.432 7.906
700 HA SER 91 HA SER 91 -9.746 -0.733 10.113
701 1HB SER 91 2HB SER 91 -10.550 -3.658 10.143
702 2HB SER 91 1HB SER 91 -10.655 -2.536 11.500
703 HG SER 91 HG SER 91 -12.186 -1.338 10.319
704 H GLU 92 H GLU 92 -7.733 -2.848 8.428
705 HA GLU 92 HA GLU 92 -6.023 -3.355 10.776
706 1HB GLU 92 2HB GLU 92 -6.695 -5.351 9.524
707 2HB GLU 92 1HB GLU 92 -6.016 -4.679 8.049
708 1HG GLU 92 2HG GLU 92 -3.804 -4.919 8.834
709 2HG GLU 92 1HG GLU 92 -4.337 -5.196 10.492
710 H VAL 93 H VAL 93 -6.277 -1.217 8.208
711 HA VAL 93 HA VAL 93 -3.531 -0.946 7.463
712 HB VAL 93 HB VAL 93 -5.757 1.102 7.263
713 1HG1 VAL 93 1HG1 VAL 93 -3.067 0.970 5.885
714 2HG1 VAL 93 2HG1 VAL 93 -3.579 2.161 7.083
715 3HG1 VAL 93 3HG1 VAL 93 -4.350 2.116 5.498
716 1HG2 VAL 93 1HG2 VAL 93 -6.001 0.342 4.949
717 2HG2 VAL 93 2HG2 VAL 93 -6.292 -0.980 6.080
718 3HG2 VAL 93 3HG2 VAL 93 -4.760 -0.884 5.212
719 H THR 94 H THR 94 -1.986 -0.402 8.890
720 HA THR 94 HA THR 94 -2.235 0.708 11.386
721 HB THR 94 HB THR 94 0.130 1.043 9.520
722 HG1 THR 94 HG1 THR 94 -0.274 -0.903 11.570
723 1HG2 THR 94 1HG2 THR 94 1.463 1.291 11.579
724 2HG2 THR 94 2HG2 THR 94 -0.021 1.274 12.533
725 3HG2 THR 94 3HG2 THR 94 0.284 2.592 11.402
726 H ARG 95 H ARG 95 -1.146 2.606 8.524
727 HA ARG 95 HA ARG 95 -2.803 4.817 9.461
728 1HB ARG 95 2HB ARG 95 -1.033 6.468 9.360
729 2HB ARG 95 1HB ARG 95 -0.615 5.215 10.521
730 1HG ARG 95 2HG ARG 95 0.920 4.217 8.964
731 2HG ARG 95 1HG ARG 95 0.427 5.338 7.697
732 1HD ARG 95 2HD ARG 95 1.801 6.076 10.288
733 2HD ARG 95 1HD ARG 95 2.552 6.026 8.692
734 HE ARG 95 HE ARG 95 0.293 7.747 8.715
735 1HH1 ARG 95 1HH1 ARG 95 3.602 7.613 9.669
736 2HH1 ARG 95 2HH1 ARG 95 3.795 9.331 9.599
737 1HH2 ARG 95 1HH2 ARG 95 0.547 9.921 8.632
738 2HH2 ARG 95 2HH2 ARG 95 2.089 10.626 8.984
739 H GLU 96 H GLU 96 -3.662 5.998 7.879
740 HA GLU 96 HA GLU 96 -2.888 5.487 5.096
741 1HB GLU 96 2HB GLU 96 -5.018 6.756 4.572
742 2HB GLU 96 1HB GLU 96 -5.242 5.241 5.434
743 1HG GLU 96 2HG GLU 96 -5.747 6.334 7.457
744 2HG GLU 96 1HG GLU 96 -5.118 7.874 6.880
745 H ALA 97 H ALA 97 -1.540 6.890 4.110
746 HA ALA 97 HA ALA 97 -1.496 9.695 5.061
747 1HB ALA 97 1HB ALA 97 0.503 8.471 5.787
748 2HB ALA 97 2HB ALA 97 0.901 9.758 4.647
749 3HB ALA 97 3HB ALA 97 0.869 8.078 4.106
750 H ASP 98 H ASP 98 -2.486 10.866 3.507
751 HA ASP 98 HA ASP 98 -2.227 10.248 0.709
752 1HB ASP 98 2HB ASP 98 -3.486 12.416 0.398
753 2HB ASP 98 1HB ASP 98 -4.303 11.212 1.386
754 H LEU 99 H LEU 99 -0.774 10.990 -0.712
755 HA LEU 99 HA LEU 99 1.535 12.380 0.353
756 1HB LEU 99 2HB LEU 99 1.050 11.182 -2.382
757 2HB LEU 99 1HB LEU 99 2.591 11.779 -1.790
758 HG LEU 99 HG LEU 99 1.068 9.441 -0.615
759 1HD1 LEU 99 1HD1 LEU 99 3.532 9.462 -2.364
760 2HD1 LEU 99 2HD1 LEU 99 1.921 8.933 -2.848
761 3HD1 LEU 99 3HD1 LEU 99 2.805 8.042 -1.610
762 1HD2 LEU 99 1HD2 LEU 99 3.833 10.505 -0.015
763 2HD2 LEU 99 2HD2 LEU 99 3.133 9.025 0.644
764 3HD2 LEU 99 3HD2 LEU 99 2.428 10.589 1.047
765 H ASP 100 H ASP 100 1.526 14.535 0.392
766 HA ASP 100 HA ASP 100 0.081 16.173 -1.458
767 1HB ASP 100 2HB ASP 100 2.184 16.873 0.603
768 2HB ASP 100 1HB ASP 100 1.254 18.058 -0.310
769 H LEU 101 H LEU 101 3.060 14.608 -1.724
770 HA LEU 101 HA LEU 101 4.797 14.688 -3.196
771 1HB LEU 101 2HB LEU 101 3.109 16.702 -4.703
772 2HB LEU 101 1HB LEU 101 4.510 15.859 -5.334
773 HG LEU 101 HG LEU 101 1.879 14.579 -4.556
774 1HD1 LEU 101 1HD1 LEU 101 1.627 14.160 -6.953
775 2HD1 LEU 101 2HD1 LEU 101 3.116 15.053 -7.268
776 3HD1 LEU 101 3HD1 LEU 101 1.712 15.887 -6.599
777 1HD2 LEU 101 1HD2 LEU 101 2.809 12.533 -5.562
778 2HD2 LEU 101 2HD2 LEU 101 3.716 13.045 -4.138
779 3HD2 LEU 101 3HD2 LEU 101 4.365 13.342 -5.752
780 H ASP 102 H ASP 102 6.030 16.758 -4.614
781 HA ASP 102 HA ASP 102 6.389 19.013 -2.801
782 1HB ASP 102 2HB ASP 102 7.916 17.006 -2.143
783 2HB ASP 102 1HB ASP 102 8.835 17.422 -3.587
784 H ALA 103 H ALA 103 8.561 20.258 -3.868
785 HA ALA 103 HA ALA 103 7.659 21.388 -6.260
786 1HB ALA 103 1HB ALA 103 9.197 22.505 -4.711
787 2HB ALA 103 2HB ALA 103 9.820 22.511 -6.361
788 3HB ALA 103 3HB ALA 103 10.476 21.384 -5.174
789 H ASP 104 H ASP 104 9.711 18.615 -5.734
790 HA ASP 104 HA ASP 104 10.530 18.428 -8.523
791 1HB ASP 104 2HB ASP 104 10.987 16.470 -6.252
792 2HB ASP 104 1HB ASP 104 11.816 16.493 -7.805
793 H GLY 105 H GLY 105 7.777 17.741 -6.868
794 1HA GLY 105 2HA GLY 105 5.900 16.536 -7.498
795 2HA GLY 105 1HA GLY 105 6.829 15.850 -8.817
796 H VAL 106 H VAL 106 8.757 15.313 -6.300
797 HA VAL 106 HA VAL 106 7.922 12.540 -6.060
798 HB VAL 106 HB VAL 106 10.357 13.935 -4.911
799 1HG1 VAL 106 1HG1 VAL 106 9.735 10.990 -5.194
800 2HG1 VAL 106 2HG1 VAL 106 9.840 11.900 -3.686
801 3HG1 VAL 106 3HG1 VAL 106 11.281 11.662 -4.673
802 1HG2 VAL 106 1HG2 VAL 106 10.329 14.022 -7.357
803 2HG2 VAL 106 2HG2 VAL 106 10.093 12.275 -7.425
804 3HG2 VAL 106 3HG2 VAL 106 11.593 12.939 -6.775
805 HA PRO 107 HA PRO 107 5.938 13.188 -2.071
806 1HB PRO 107 2HB PRO 107 5.855 10.564 -1.285
807 2HB PRO 107 1HB PRO 107 4.712 11.281 -2.426
808 1HG PRO 107 2HG PRO 107 7.161 9.642 -2.975
809 2HG PRO 107 1HG PRO 107 5.558 9.546 -3.731
810 1HD PRO 107 2HD PRO 107 7.633 10.785 -4.930
811 2HD PRO 107 1HD PRO 107 5.965 11.367 -5.110
812 H GLN 108 H GLN 108 7.065 14.022 -0.425
813 HA GLN 108 HA GLN 108 9.738 13.329 0.169
814 1HB GLN 108 2HB GLN 108 7.713 14.983 1.679
815 2HB GLN 108 1HB GLN 108 9.386 14.804 2.195
816 1HG GLN 108 2HG GLN 108 8.503 15.927 -0.461
817 2HG GLN 108 1HG GLN 108 8.993 16.881 0.938
818 1HE2 GLN 108 1HE2 GLN 108 10.155 16.701 -1.764
819 2HE2 GLN 108 2HE2 GLN 108 11.810 16.270 -1.530
820 H LEU 109 H LEU 109 10.056 11.240 0.749
821 HA LEU 109 HA LEU 109 8.624 10.197 3.090
822 1HB LEU 109 2HB LEU 109 9.959 8.958 0.766
823 2HB LEU 109 1HB LEU 109 10.186 8.118 2.288
824 HG LEU 109 HG LEU 109 7.774 7.895 2.574
825 1HD1 LEU 109 1HD1 LEU 109 7.534 9.326 -0.073
826 2HD1 LEU 109 2HD1 LEU 109 7.052 9.958 1.502
827 3HD1 LEU 109 3HD1 LEU 109 6.213 8.567 0.818
828 1HD2 LEU 109 1HD2 LEU 109 9.001 6.168 1.319
829 2HD2 LEU 109 2HD2 LEU 109 8.629 7.014 -0.185
830 3HD2 LEU 109 3HD2 LEU 109 7.328 6.323 0.786
831 H GLY 110 H GLY 110 11.644 11.589 2.260
832 1HA GLY 110 2HA GLY 110 13.449 10.381 4.002
833 2HA GLY 110 1HA GLY 110 13.487 12.080 3.559
834 H ASP 111 H ASP 111 10.963 12.759 4.717
835 HA ASP 111 HA ASP 111 11.602 13.193 7.443
836 1HB ASP 111 2HB ASP 111 10.174 14.719 6.192
837 2HB ASP 111 1HB ASP 111 8.988 13.446 5.930
838 H HIS 112 H HIS 112 9.673 10.742 5.802
839 HA HIS 112 HA HIS 112 8.436 9.795 8.256
840 1HB HIS 112 2HB HIS 112 8.239 8.750 5.424
841 2HB HIS 112 1HB HIS 112 7.259 8.202 6.779
842 HD1 HIS 112 HD1 HIS 112 6.166 10.647 8.018
843 HD2 HIS 112 HD2 HIS 112 6.714 10.354 3.907
844 HE1 HIS 112 HE1 HIS 112 4.620 12.350 7.010
845 HE2 HIS 112 HE2 HIS 112 5.038 12.228 4.536
846 H LEU 113 H LEU 113 11.078 8.844 6.172
847 HA LEU 113 HA LEU 113 11.232 6.171 7.332
848 1HB LEU 113 2HB LEU 113 13.063 7.450 5.297
849 2HB LEU 113 1HB LEU 113 12.959 5.746 5.695
850 HG LEU 113 HG LEU 113 10.881 7.403 4.254
851 1HD1 LEU 113 1HD1 LEU 113 12.791 6.728 2.886
852 2HD1 LEU 113 2HD1 LEU 113 11.315 5.905 2.386
853 3HD1 LEU 113 3HD1 LEU 113 12.526 5.044 3.337
854 1HD2 LEU 113 1HD2 LEU 113 9.763 5.837 5.752
855 2HD2 LEU 113 2HD2 LEU 113 10.714 4.506 5.090
856 3HD2 LEU 113 3HD2 LEU 113 9.556 5.358 4.068
857 H ALA 114 H ALA 114 13.473 5.377 7.973
858 HA ALA 114 HA ALA 114 14.698 7.346 9.781
859 1HB ALA 114 1HB ALA 114 15.625 5.420 10.963
860 2HB ALA 114 2HB ALA 114 14.947 4.337 9.748
861 3HB ALA 114 3HB ALA 114 13.876 5.275 10.789
862 H LEU 115 H LEU 115 15.229 6.578 6.736
863 HA LEU 115 HA LEU 115 18.028 5.867 6.766
864 1HB LEU 115 2HB LEU 115 16.152 6.640 4.524
865 2HB LEU 115 1HB LEU 115 17.841 6.250 4.271
866 HG LEU 115 HG LEU 115 17.397 3.969 5.222
867 1HD1 LEU 115 1HD1 LEU 115 15.098 3.182 5.382
868 2HD1 LEU 115 2HD1 LEU 115 14.503 4.804 5.029
869 3HD1 LEU 115 3HD1 LEU 115 15.394 4.495 6.521
870 1HD2 LEU 115 1HD2 LEU 115 16.304 3.107 3.211
871 2HD2 LEU 115 2HD2 LEU 115 17.496 4.345 2.811
872 3HD2 LEU 115 3HD2 LEU 115 15.776 4.739 2.791
873 H GLU 116 H GLU 116 19.451 7.367 7.434
874 HA GLU 116 HA GLU 116 18.946 10.176 7.272
875 1HB GLU 116 2HB GLU 116 21.179 10.450 8.259
876 2HB GLU 116 1HB GLU 116 20.223 9.265 9.135
877 1HG GLU 116 2HG GLU 116 21.453 7.451 8.118
878 2HG GLU 116 1HG GLU 116 22.347 8.583 7.105
Start of MODEL 15
1 1H MET 1 1H MET 1 9.743 -5.869 13.755
2 2H MET 1 2H MET 1 10.828 -5.339 14.934
3 3H MET 1 3H MET 1 11.348 -5.539 13.333
4 HA MET 1 HA MET 1 9.336 -3.558 14.255
5 1HB MET 1 2HB MET 1 12.164 -3.097 13.278
6 2HB MET 1 1HB MET 1 11.047 -1.875 13.869
7 1HG MET 1 2HG MET 1 11.120 -2.916 16.096
8 2HG MET 1 1HG MET 1 12.280 -4.099 15.488
9 1HE MET 1 1HE MET 1 14.179 -3.602 17.190
10 2HE MET 1 2HE MET 1 13.029 -2.562 18.032
11 3HE MET 1 3HE MET 1 14.654 -1.975 17.676
12 H THR 2 H THR 2 8.729 -5.343 12.167
13 HA THR 2 HA THR 2 9.691 -4.291 9.642
14 HB THR 2 HB THR 2 7.611 -6.459 10.037
15 HG1 THR 2 HG1 THR 2 9.526 -7.852 9.751
16 1HG2 THR 2 1HG2 THR 2 8.384 -7.220 7.832
17 2HG2 THR 2 2HG2 THR 2 9.516 -5.869 7.757
18 3HG2 THR 2 3HG2 THR 2 7.779 -5.565 7.751
19 H LEU 3 H LEU 3 8.748 -2.719 8.527
20 HA LEU 3 HA LEU 3 5.824 -2.313 8.711
21 1HB LEU 3 2HB LEU 3 7.484 -0.615 9.891
22 2HB LEU 3 1HB LEU 3 7.697 -0.005 8.266
23 HG LEU 3 HG LEU 3 6.071 1.330 9.490
24 1HD1 LEU 3 1HD1 LEU 3 4.753 -0.301 7.321
25 2HD1 LEU 3 2HD1 LEU 3 5.736 1.146 7.096
26 3HD1 LEU 3 3HD1 LEU 3 4.187 1.254 7.930
27 1HD2 LEU 3 1HD2 LEU 3 5.287 -0.349 11.062
28 2HD2 LEU 3 2HD2 LEU 3 4.477 -1.219 9.760
29 3HD2 LEU 3 3HD2 LEU 3 3.926 0.392 10.220
30 H ILE 4 H ILE 4 4.796 -2.176 6.748
31 HA ILE 4 HA ILE 4 6.495 -2.091 4.327
32 HB ILE 4 HB ILE 4 4.630 -3.351 3.195
33 1HG1 ILE 4 2HG1 ILE 4 3.672 -3.694 6.057
34 2HG1 ILE 4 1HG1 ILE 4 2.815 -2.859 4.764
35 1HG2 ILE 4 1HG2 ILE 4 6.686 -4.446 3.897
36 2HG2 ILE 4 2HG2 ILE 4 5.308 -5.526 4.106
37 3HG2 ILE 4 3HG2 ILE 4 6.014 -4.715 5.506
38 1HD1 ILE 4 1HD1 ILE 4 1.862 -5.044 5.151
39 2HD1 ILE 4 2HD1 ILE 4 3.429 -5.806 4.880
40 3HD1 ILE 4 3HD1 ILE 4 2.608 -4.982 3.555
41 H TYR 5 H TYR 5 5.830 -0.921 2.523
42 HA TYR 5 HA TYR 5 3.686 1.066 2.982
43 1HB TYR 5 2HB TYR 5 6.368 1.512 1.643
44 2HB TYR 5 1HB TYR 5 5.085 2.708 1.769
45 HD1 TYR 5 HD1 TYR 5 7.539 0.737 3.722
46 HD2 TYR 5 HD2 TYR 5 4.810 4.011 3.754
47 HE1 TYR 5 HE1 TYR 5 8.484 1.497 5.860
48 HE2 TYR 5 HE2 TYR 5 5.748 4.774 5.896
49 HH TYR 5 HH TYR 5 8.639 3.388 7.248
50 H LYS 6 H LYS 6 2.408 1.652 1.212
51 HA LYS 6 HA LYS 6 3.159 0.873 -1.479
52 1HB LYS 6 2HB LYS 6 2.070 -1.185 -0.594
53 2HB LYS 6 1HB LYS 6 0.603 -0.258 -0.305
54 1HG LYS 6 2HG LYS 6 0.387 0.183 -2.695
55 2HG LYS 6 1HG LYS 6 1.891 -0.683 -3.002
56 1HD LYS 6 2HD LYS 6 0.171 -2.207 -3.536
57 2HD LYS 6 1HD LYS 6 0.769 -2.719 -1.959
58 1HE LYS 6 2HE LYS 6 -1.674 -0.989 -2.369
59 2HE LYS 6 1HE LYS 6 -1.726 -2.742 -2.195
60 1HZ LYS 6 1HZ LYS 6 -0.721 -0.816 -0.166
61 2HZ LYS 6 2HZ LYS 6 -0.741 -2.498 0.006
62 3HZ LYS 6 3HZ LYS 6 -2.195 -1.645 -0.110
63 H ILE 7 H ILE 7 2.553 2.439 -2.851
64 HA ILE 7 HA ILE 7 0.662 4.472 -1.913
65 HB ILE 7 HB ILE 7 2.497 4.547 -4.325
66 1HG1 ILE 7 2HG1 ILE 7 2.839 5.804 -1.581
67 2HG1 ILE 7 1HG1 ILE 7 3.752 4.430 -2.201
68 1HG2 ILE 7 1HG2 ILE 7 2.048 6.978 -4.295
69 2HG2 ILE 7 2HG2 ILE 7 0.880 6.733 -2.995
70 3HG2 ILE 7 3HG2 ILE 7 0.589 6.031 -4.587
71 1HD1 ILE 7 1HD1 ILE 7 3.792 7.228 -3.323
72 2HD1 ILE 7 2HD1 ILE 7 4.714 5.855 -3.937
73 3HD1 ILE 7 3HD1 ILE 7 5.040 6.485 -2.323
74 H LEU 8 H LEU 8 -1.290 4.852 -2.828
75 HA LEU 8 HA LEU 8 -1.859 3.884 -5.531
76 1HB LEU 8 2HB LEU 8 -3.903 2.795 -4.982
77 2HB LEU 8 1HB LEU 8 -2.666 2.120 -3.945
78 HG LEU 8 HG LEU 8 -4.673 4.209 -3.058
79 1HD1 LEU 8 1HD1 LEU 8 -5.804 2.126 -3.610
80 2HD1 LEU 8 2HD1 LEU 8 -5.785 2.380 -1.866
81 3HD1 LEU 8 3HD1 LEU 8 -4.672 1.224 -2.601
82 1HD2 LEU 8 1HD2 LEU 8 -3.936 3.586 -0.794
83 2HD2 LEU 8 2HD2 LEU 8 -2.622 4.263 -1.753
84 3HD2 LEU 8 3HD2 LEU 8 -2.714 2.522 -1.493
85 H SER 9 H SER 9 -4.154 4.728 -6.209
86 HA SER 9 HA SER 9 -4.050 7.584 -5.867
87 1HB SER 9 2HB SER 9 -6.100 5.895 -7.340
88 2HB SER 9 1HB SER 9 -5.925 7.645 -7.467
89 HG SER 9 HG SER 9 -4.572 7.207 -9.009
90 H ARG 10 H ARG 10 -5.528 8.947 -4.877
91 HA ARG 10 HA ARG 10 -6.663 8.121 -2.473
92 1HB ARG 10 2HB ARG 10 -6.036 10.455 -3.011
93 2HB ARG 10 1HB ARG 10 -7.410 10.564 -4.101
94 1HG ARG 10 2HG ARG 10 -7.928 11.651 -2.003
95 2HG ARG 10 1HG ARG 10 -8.933 10.214 -2.192
96 1HD ARG 10 2HD ARG 10 -7.467 8.966 -0.693
97 2HD ARG 10 1HD ARG 10 -6.399 10.362 -0.547
98 HE ARG 10 HE ARG 10 -8.848 11.277 0.253
99 1HH1 ARG 10 1HH1 ARG 10 -6.742 8.734 1.281
100 2HH1 ARG 10 2HH1 ARG 10 -7.310 8.778 2.912
101 1HH2 ARG 10 1HH2 ARG 10 -9.554 11.327 2.332
102 2HH2 ARG 10 2HH2 ARG 10 -8.886 10.243 3.503
103 H ALA 11 H ALA 11 -8.303 8.704 -5.590
104 HA ALA 11 HA ALA 11 -10.927 8.190 -4.788
105 1HB ALA 11 1HB ALA 11 -11.422 7.795 -7.122
106 2HB ALA 11 2HB ALA 11 -9.715 7.524 -7.473
107 3HB ALA 11 3HB ALA 11 -10.271 9.125 -6.984
108 H GLU 12 H GLU 12 -8.411 5.917 -5.801
109 HA GLU 12 HA GLU 12 -10.058 3.597 -5.799
110 1HB GLU 12 2HB GLU 12 -7.981 3.659 -7.062
111 2HB GLU 12 1HB GLU 12 -7.053 3.921 -5.591
112 1HG GLU 12 2HG GLU 12 -7.512 1.707 -4.819
113 2HG GLU 12 1HG GLU 12 -8.678 1.437 -6.115
114 H TRP 13 H TRP 13 -7.843 5.012 -3.400
115 HA TRP 13 HA TRP 13 -8.241 3.052 -1.397
116 1HB TRP 13 2HB TRP 13 -6.324 4.519 -1.295
117 2HB TRP 13 1HB TRP 13 -7.357 5.941 -1.198
118 HD1 TRP 13 HD1 TRP 13 -7.473 6.886 1.163
119 HE1 TRP 13 HE1 TRP 13 -7.345 5.947 3.553
120 HE3 TRP 13 HE3 TRP 13 -6.907 1.922 0.060
121 HZ2 TRP 13 HZ2 TRP 13 -7.046 3.439 4.809
122 HZ3 TRP 13 HZ3 TRP 13 -6.711 0.315 1.915
123 HH2 TRP 13 HH2 TRP 13 -6.778 1.061 4.242
124 H ASP 14 H ASP 14 -10.003 6.009 -2.194
125 HA ASP 14 HA ASP 14 -11.595 6.214 0.111
126 1HB ASP 14 2HB ASP 14 -11.391 7.888 -1.800
127 2HB ASP 14 1HB ASP 14 -12.519 6.881 -2.691
128 H ALA 15 H ALA 15 -12.314 4.683 -3.004
129 HA ALA 15 HA ALA 15 -14.707 3.419 -2.390
130 1HB ALA 15 1HB ALA 15 -13.742 3.601 -4.639
131 2HB ALA 15 2HB ALA 15 -14.191 1.936 -4.258
132 3HB ALA 15 3HB ALA 15 -12.497 2.432 -4.198
133 H ALA 16 H ALA 16 -11.375 2.305 -1.847
134 HA ALA 16 HA ALA 16 -11.930 -0.230 -0.787
135 1HB ALA 16 1HB ALA 16 -9.671 1.644 -0.068
136 2HB ALA 16 2HB ALA 16 -9.679 0.490 -1.402
137 3HB ALA 16 3HB ALA 16 -9.723 -0.087 0.263
138 H LYS 17 H LYS 17 -11.629 2.914 0.889
139 HA LYS 17 HA LYS 17 -12.142 1.991 3.496
140 1HB LYS 17 2HB LYS 17 -12.728 4.695 2.270
141 2HB LYS 17 1HB LYS 17 -12.799 4.348 3.992
142 1HG LYS 17 2HG LYS 17 -10.391 3.730 3.912
143 2HG LYS 17 1HG LYS 17 -10.357 4.237 2.224
144 1HD LYS 17 2HD LYS 17 -11.107 6.033 4.543
145 2HD LYS 17 1HD LYS 17 -9.503 5.956 3.818
146 1HE LYS 17 2HE LYS 17 -10.504 7.820 2.816
147 2HE LYS 17 1HE LYS 17 -10.659 6.547 1.611
148 1HZ LYS 17 1HZ LYS 17 -12.795 7.434 3.481
149 2HZ LYS 17 2HZ LYS 17 -12.958 6.226 2.309
150 3HZ LYS 17 3HZ LYS 17 -12.698 7.827 1.837
151 H ALA 18 H ALA 18 -14.345 2.974 0.910
152 HA ALA 18 HA ALA 18 -16.766 2.791 2.329
153 1HB ALA 18 1HB ALA 18 -17.826 2.496 0.148
154 2HB ALA 18 2HB ALA 18 -16.253 2.170 -0.581
155 3HB ALA 18 3HB ALA 18 -16.601 3.763 0.092
156 H GLN 19 H GLN 19 -14.914 0.326 0.572
157 HA GLN 19 HA GLN 19 -16.698 -1.838 1.099
158 1HB GLN 19 2HB GLN 19 -13.730 -1.969 0.495
159 2HB GLN 19 1HB GLN 19 -14.894 -3.272 0.305
160 1HG GLN 19 2HG GLN 19 -14.905 -0.692 -1.254
161 2HG GLN 19 1HG GLN 19 -14.262 -2.228 -1.829
162 1HE2 GLN 19 1HE2 GLN 19 -16.417 -0.558 -2.885
163 2HE2 GLN 19 2HE2 GLN 19 -17.815 -1.570 -2.944
164 H GLY 20 H GLY 20 -14.183 -0.295 2.952
165 1HA GLY 20 2HA GLY 20 -13.497 -0.637 5.145
166 2HA GLY 20 1HA GLY 20 -14.676 -1.933 5.275
167 H ARG 21 H ARG 21 -12.928 -2.534 2.578
168 HA ARG 21 HA ARG 21 -10.772 -4.042 3.815
169 1HB ARG 21 2HB ARG 21 -12.601 -5.574 4.116
170 2HB ARG 21 1HB ARG 21 -13.163 -5.319 2.475
171 1HG ARG 21 2HG ARG 21 -11.050 -6.383 1.666
172 2HG ARG 21 1HG ARG 21 -10.677 -6.777 3.346
173 1HD ARG 21 2HD ARG 21 -12.506 -8.237 3.529
174 2HD ARG 21 1HD ARG 21 -13.299 -7.574 2.102
175 HE ARG 21 HE ARG 21 -11.457 -9.714 2.161
176 1HH1 ARG 21 1HH1 ARG 21 -12.369 -6.983 0.260
177 2HH1 ARG 21 2HH1 ARG 21 -11.759 -7.666 -1.205
178 1HH2 ARG 21 1HH2 ARG 21 -10.741 -10.601 0.251
179 2HH2 ARG 21 2HH2 ARG 21 -10.872 -9.696 -1.217
180 H PHE 22 H PHE 22 -9.081 -4.307 2.404
181 HA PHE 22 HA PHE 22 -9.518 -3.710 -0.450
182 1HB PHE 22 2HB PHE 22 -8.814 -1.626 0.589
183 2HB PHE 22 1HB PHE 22 -7.457 -2.428 1.364
184 HD1 PHE 22 HD2 PHE 22 -8.841 -1.556 -1.983
185 HD2 PHE 22 HD1 PHE 22 -5.375 -2.513 0.304
186 HE1 PHE 22 HE2 PHE 22 -7.416 -1.009 -3.912
187 HE2 PHE 22 HE1 PHE 22 -3.950 -1.969 -1.625
188 HZ PHE 22 HZ PHE 22 -4.969 -1.215 -3.734
189 H GLU 23 H GLU 23 -8.503 -5.106 -1.776
190 HA GLU 23 HA GLU 23 -6.397 -6.821 -0.659
191 1HB GLU 23 2HB GLU 23 -6.765 -8.167 -2.816
192 2HB GLU 23 1HB GLU 23 -8.023 -8.218 -1.595
193 1HG GLU 23 2HG GLU 23 -8.213 -6.263 -3.855
194 2HG GLU 23 1HG GLU 23 -8.647 -7.952 -4.105
195 H GLY 24 H GLY 24 -6.918 -5.577 -3.994
196 1HA GLY 24 2HA GLY 24 -4.322 -4.287 -3.971
197 2HA GLY 24 1HA GLY 24 -4.393 -5.753 -4.934
198 H SER 25 H SER 25 -4.692 -5.372 -7.047
199 HA SER 25 HA SER 25 -6.598 -3.640 -8.171
200 1HB SER 25 2HB SER 25 -5.145 -1.870 -7.163
201 2HB SER 25 1HB SER 25 -3.809 -2.438 -8.165
202 HG SER 25 HG SER 25 -5.693 -0.697 -8.793
203 H ALA 26 H ALA 26 -5.253 -2.813 -10.516
204 HA ALA 26 HA ALA 26 -5.532 -5.097 -12.082
205 1HB ALA 26 1HB ALA 26 -4.659 -3.779 -13.922
206 2HB ALA 26 2HB ALA 26 -4.001 -2.598 -12.789
207 3HB ALA 26 3HB ALA 26 -5.746 -2.808 -12.928
208 H VAL 27 H VAL 27 -2.388 -3.412 -11.559
209 HA VAL 27 HA VAL 27 -0.760 -5.395 -12.648
210 HB VAL 27 HB VAL 27 0.084 -3.155 -12.149
211 1HG1 VAL 27 1HG1 VAL 27 0.689 -2.496 -9.858
212 2HG1 VAL 27 2HG1 VAL 27 -0.075 -3.962 -9.243
213 3HG1 VAL 27 3HG1 VAL 27 -1.050 -2.729 -10.045
214 1HG2 VAL 27 1HG2 VAL 27 2.288 -3.765 -11.248
215 2HG2 VAL 27 2HG2 VAL 27 1.713 -4.955 -12.415
216 3HG2 VAL 27 3HG2 VAL 27 1.632 -5.306 -10.689
217 H ASP 28 H ASP 28 -1.904 -5.039 -9.330
218 HA ASP 28 HA ASP 28 -0.490 -7.095 -8.092
219 1HB ASP 28 2HB ASP 28 -1.589 -5.793 -6.561
220 2HB ASP 28 1HB ASP 28 -3.002 -5.589 -7.587
221 H LEU 29 H LEU 29 -3.797 -7.271 -9.471
222 HA LEU 29 HA LEU 29 -3.938 -10.104 -9.263
223 1HB LEU 29 2HB LEU 29 -5.573 -8.146 -10.879
224 2HB LEU 29 1HB LEU 29 -5.940 -9.858 -10.755
225 HG LEU 29 HG LEU 29 -5.897 -7.906 -8.441
226 1HD1 LEU 29 1HD1 LEU 29 -7.785 -7.526 -9.943
227 2HD1 LEU 29 2HD1 LEU 29 -8.317 -8.201 -8.403
228 3HD1 LEU 29 3HD1 LEU 29 -8.226 -9.231 -9.834
229 1HD2 LEU 29 1HD2 LEU 29 -6.654 -10.829 -8.538
230 2HD2 LEU 29 2HD2 LEU 29 -6.870 -9.762 -7.150
231 3HD2 LEU 29 3HD2 LEU 29 -5.247 -10.138 -7.730
232 H ALA 30 H ALA 30 -2.344 -8.084 -11.512
233 HA ALA 30 HA ALA 30 -2.417 -9.750 -13.806
234 1HB ALA 30 1HB ALA 30 -0.253 -7.820 -12.953
235 2HB ALA 30 2HB ALA 30 -1.676 -7.417 -13.913
236 3HB ALA 30 3HB ALA 30 -0.453 -8.507 -14.566
237 H ASP 31 H ASP 31 0.137 -9.406 -11.297
238 HA ASP 31 HA ASP 31 1.342 -11.915 -12.098
239 1HB ASP 31 2HB ASP 31 2.770 -11.539 -10.018
240 2HB ASP 31 1HB ASP 31 2.890 -10.333 -11.293
241 H GLY 32 H GLY 32 -0.576 -10.825 -9.288
242 1HA GLY 32 2HA GLY 32 -2.496 -12.317 -8.824
243 2HA GLY 32 1HA GLY 32 -1.383 -13.663 -8.952
244 H PHE 33 H PHE 33 -0.077 -10.960 -7.263
245 HA PHE 33 HA PHE 33 -1.066 -11.870 -4.674
246 1HB PHE 33 2HB PHE 33 1.312 -12.094 -3.795
247 2HB PHE 33 1HB PHE 33 0.738 -13.386 -4.840
248 HD1 PHE 33 HD2 PHE 33 2.984 -10.465 -4.627
249 HD2 PHE 33 HD1 PHE 33 1.743 -13.804 -6.968
250 HE1 PHE 33 HE2 PHE 33 4.949 -10.175 -6.079
251 HE2 PHE 33 HE1 PHE 33 3.709 -13.514 -8.426
252 HZ PHE 33 HZ PHE 33 5.313 -11.699 -7.982
253 H ILE 34 H ILE 34 -1.017 -10.347 -3.072
254 HA ILE 34 HA ILE 34 -0.850 -7.638 -3.871
255 HB ILE 34 HB ILE 34 -0.928 -8.675 -1.025
256 1HG1 ILE 34 2HG1 ILE 34 -3.241 -8.029 -2.885
257 2HG1 ILE 34 1HG1 ILE 34 -2.735 -9.651 -2.424
258 1HG2 ILE 34 1HG2 ILE 34 -1.832 -6.034 -2.193
259 2HG2 ILE 34 2HG2 ILE 34 -0.384 -6.289 -1.221
260 3HG2 ILE 34 3HG2 ILE 34 -1.978 -6.526 -0.505
261 1HD1 ILE 34 1HD1 ILE 34 -4.681 -8.930 -1.165
262 2HD1 ILE 34 2HD1 ILE 34 -3.786 -7.541 -0.552
263 3HD1 ILE 34 3HD1 ILE 34 -3.296 -9.174 -0.102
264 H HIS 35 H HIS 35 1.230 -7.291 -4.653
265 HA HIS 35 HA HIS 35 3.493 -7.589 -2.830
266 1HB HIS 35 2HB HIS 35 4.845 -6.902 -4.852
267 2HB HIS 35 1HB HIS 35 3.942 -8.403 -5.013
268 HD1 HIS 35 HD1 HIS 35 4.177 -4.944 -6.370
269 HD2 HIS 35 HD2 HIS 35 1.824 -8.327 -6.860
270 HE1 HIS 35 HE1 HIS 35 2.871 -4.559 -8.482
271 HE2 HIS 35 HE2 HIS 35 1.669 -6.739 -8.878
272 H LEU 36 H LEU 36 3.870 -5.999 -1.449
273 HA LEU 36 HA LEU 36 3.360 -3.209 -2.190
274 1HB LEU 36 2HB LEU 36 4.200 -4.408 0.464
275 2HB LEU 36 1HB LEU 36 3.833 -2.717 0.190
276 HG LEU 36 HG LEU 36 1.486 -3.538 -0.524
277 1HD1 LEU 36 1HD1 LEU 36 0.754 -5.624 0.514
278 2HD1 LEU 36 2HD1 LEU 36 2.412 -5.965 1.013
279 3HD1 LEU 36 3HD1 LEU 36 1.999 -5.909 -0.701
280 1HD2 LEU 36 1HD2 LEU 36 2.393 -3.716 2.353
281 2HD2 LEU 36 2HD2 LEU 36 0.721 -3.543 1.817
282 3HD2 LEU 36 3HD2 LEU 36 1.886 -2.259 1.497
283 H SER 37 H SER 37 5.314 -2.007 -0.518
284 HA SER 37 HA SER 37 7.910 -2.929 -1.526
285 1HB SER 37 2HB SER 37 8.520 -0.632 -2.241
286 2HB SER 37 1HB SER 37 7.172 -1.272 -3.180
287 HG SER 37 HG SER 37 6.237 0.011 -1.009
288 H ALA 38 H ALA 38 9.695 -2.211 -0.295
289 HA ALA 38 HA ALA 38 9.179 -1.531 2.445
290 1HB ALA 38 1HB ALA 38 11.817 -1.621 0.970
291 2HB ALA 38 2HB ALA 38 11.058 -2.987 1.787
292 3HB ALA 38 3HB ALA 38 11.597 -1.591 2.720
293 H GLY 39 H GLY 39 10.803 0.293 3.358
294 1HA GLY 39 2HA GLY 39 9.633 2.738 2.755
295 2HA GLY 39 1HA GLY 39 11.159 2.546 3.598
296 H GLU 40 H GLU 40 13.071 2.059 2.071
297 HA GLU 40 HA GLU 40 13.481 4.221 0.370
298 1HB GLU 40 2HB GLU 40 14.912 1.566 0.103
299 2HB GLU 40 1HB GLU 40 15.503 3.144 -0.391
300 1HG GLU 40 2HG GLU 40 16.677 2.735 1.555
301 2HG GLU 40 1HG GLU 40 15.347 3.748 2.115
302 H GLN 41 H GLN 41 12.465 0.913 -0.439
303 HA GLN 41 HA GLN 41 12.567 1.078 -3.225
304 1HB GLN 41 2HB GLN 41 10.529 -0.450 -1.587
305 2HB GLN 41 1HB GLN 41 10.973 -0.771 -3.259
306 1HG GLN 41 2HG GLN 41 13.248 -1.341 -2.530
307 2HG GLN 41 1HG GLN 41 12.775 -1.049 -0.857
308 1HE2 GLN 41 1HE2 GLN 41 13.785 -3.481 -1.963
309 2HE2 GLN 41 2HE2 GLN 41 12.570 -4.683 -1.733
310 H ALA 42 H ALA 42 9.900 1.914 -1.025
311 HA ALA 42 HA ALA 42 8.008 2.674 -2.953
312 1HB ALA 42 1HB ALA 42 8.382 3.750 -0.154
313 2HB ALA 42 2HB ALA 42 7.430 2.338 -0.606
314 3HB ALA 42 3HB ALA 42 6.934 3.943 -1.144
315 H GLN 43 H GLN 43 10.535 4.574 -1.314
316 HA GLN 43 HA GLN 43 9.904 7.061 -2.494
317 1HB GLN 43 2HB GLN 43 11.304 6.930 -0.515
318 2HB GLN 43 1HB GLN 43 12.532 6.034 -1.400
319 1HG GLN 43 2HG GLN 43 13.069 7.942 -2.737
320 2HG GLN 43 1HG GLN 43 11.694 8.843 -2.099
321 1HE2 GLN 43 1HE2 GLN 43 11.825 9.750 -0.068
322 2HE2 GLN 43 2HE2 GLN 43 13.310 9.885 0.801
323 H GLU 44 H GLU 44 12.050 4.438 -3.570
324 HA GLU 44 HA GLU 44 13.150 5.757 -5.807
325 1HB GLU 44 2HB GLU 44 12.568 2.801 -5.471
326 2HB GLU 44 1HB GLU 44 13.630 3.499 -6.687
327 1HG GLU 44 2HG GLU 44 15.128 4.304 -4.940
328 2HG GLU 44 1HG GLU 44 14.056 3.648 -3.705
329 H THR 45 H THR 45 10.356 3.540 -5.626
330 HA THR 45 HA THR 45 9.480 3.844 -8.281
331 HB THR 45 HB THR 45 7.768 3.294 -5.833
332 HG1 THR 45 HG1 THR 45 8.285 1.181 -6.132
333 1HG2 THR 45 1HG2 THR 45 7.264 2.691 -8.758
334 2HG2 THR 45 2HG2 THR 45 6.440 3.928 -7.809
335 3HG2 THR 45 3HG2 THR 45 6.224 2.221 -7.412
336 H ALA 46 H ALA 46 8.866 5.767 -5.396
337 HA ALA 46 HA ALA 46 6.855 7.427 -6.500
338 1HB ALA 46 1HB ALA 46 7.272 8.888 -4.590
339 2HB ALA 46 2HB ALA 46 8.751 7.998 -4.223
340 3HB ALA 46 3HB ALA 46 7.183 7.198 -4.095
341 H ALA 47 H ALA 47 10.387 7.922 -6.150
342 HA ALA 47 HA ALA 47 10.437 10.510 -7.290
343 1HB ALA 47 1HB ALA 47 12.847 10.184 -7.475
344 2HB ALA 47 2HB ALA 47 12.648 8.452 -7.201
345 3HB ALA 47 3HB ALA 47 12.259 9.599 -5.918
346 H LYS 48 H LYS 48 9.969 7.463 -8.721
347 HA LYS 48 HA LYS 48 10.786 8.354 -11.394
348 1HB LYS 48 2HB LYS 48 11.499 6.125 -10.616
349 2HB LYS 48 1HB LYS 48 9.818 5.654 -10.422
350 1HG LYS 48 2HG LYS 48 9.471 5.906 -12.835
351 2HG LYS 48 1HG LYS 48 11.163 6.373 -13.026
352 1HD LYS 48 2HD LYS 48 11.829 4.166 -12.086
353 2HD LYS 48 1HD LYS 48 10.125 3.708 -12.036
354 1HE LYS 48 2HE LYS 48 11.208 2.798 -14.023
355 2HE LYS 48 1HE LYS 48 9.984 3.988 -14.473
356 1HZ LYS 48 1HZ LYS 48 12.899 4.548 -14.287
357 2HZ LYS 48 2HZ LYS 48 11.702 5.610 -14.834
358 3HZ LYS 48 3HZ LYS 48 12.071 4.225 -15.725
359 H TRP 49 H TRP 49 7.968 6.653 -10.004
360 HA TRP 49 HA TRP 49 6.290 7.457 -12.221
361 1HB TRP 49 2HB TRP 49 5.633 5.837 -9.753
362 2HB TRP 49 1HB TRP 49 4.581 6.046 -11.150
363 HD1 TRP 49 HD1 TRP 49 7.884 4.348 -10.139
364 HE1 TRP 49 HE1 TRP 49 8.340 2.416 -11.773
365 HE3 TRP 49 HE3 TRP 49 4.074 5.170 -13.441
366 HZ2 TRP 49 HZ2 TRP 49 7.235 1.377 -14.145
367 HZ3 TRP 49 HZ3 TRP 49 3.842 3.656 -15.369
368 HH2 TRP 49 HH2 TRP 49 5.390 1.801 -15.712
369 H PHE 50 H PHE 50 6.348 8.006 -8.701
370 HA PHE 50 HA PHE 50 4.033 9.804 -8.919
371 1HB PHE 50 2HB PHE 50 5.378 8.682 -6.443
372 2HB PHE 50 1HB PHE 50 3.853 9.559 -6.494
373 HD1 PHE 50 HD2 PHE 50 1.903 8.509 -7.749
374 HD2 PHE 50 HD1 PHE 50 5.433 6.348 -6.736
375 HE1 PHE 50 HE2 PHE 50 0.696 6.388 -8.063
376 HE2 PHE 50 HE1 PHE 50 4.227 4.229 -7.052
377 HZ PHE 50 HZ PHE 50 1.857 4.245 -7.716
378 H ARG 51 H ARG 51 5.960 11.130 -10.043
379 HA ARG 51 HA ARG 51 8.025 12.331 -8.653
380 1HB ARG 51 2HB ARG 51 7.621 12.441 -11.111
381 2HB ARG 51 1HB ARG 51 6.360 13.628 -10.814
382 1HG ARG 51 2HG ARG 51 8.179 15.027 -9.682
383 2HG ARG 51 1HG ARG 51 9.328 13.912 -10.426
384 1HD ARG 51 2HD ARG 51 7.356 15.735 -11.806
385 2HD ARG 51 1HD ARG 51 9.116 15.804 -11.873
386 HE ARG 51 HE ARG 51 8.467 13.336 -12.876
387 1HH1 ARG 51 1HH1 ARG 51 7.718 16.606 -13.680
388 2HH1 ARG 51 2HH1 ARG 51 7.451 16.245 -15.351
389 1HH2 ARG 51 1HH2 ARG 51 8.132 12.893 -15.022
390 2HH2 ARG 51 2HH2 ARG 51 7.700 14.172 -16.105
391 H GLY 52 H GLY 52 4.645 13.275 -8.704
392 1HA GLY 52 2HA GLY 52 4.613 14.578 -6.258
393 2HA GLY 52 1HA GLY 52 4.967 15.822 -7.452
394 H GLN 53 H GLN 53 2.838 12.983 -7.571
395 HA GLN 53 HA GLN 53 0.812 14.486 -8.969
396 1HB GLN 53 2HB GLN 53 0.774 11.630 -7.964
397 2HB GLN 53 1HB GLN 53 -0.347 12.331 -9.124
398 1HG GLN 53 2HG GLN 53 1.394 12.582 -10.752
399 2HG GLN 53 1HG GLN 53 2.623 12.104 -9.583
400 1HE2 GLN 53 1HE2 GLN 53 1.950 10.935 -12.176
401 2HE2 GLN 53 2HE2 GLN 53 1.576 9.282 -11.865
402 H ALA 54 H ALA 54 -1.106 15.257 -8.182
403 HA ALA 54 HA ALA 54 -1.383 15.321 -5.280
404 1HB ALA 54 1HB ALA 54 -1.518 17.422 -6.519
405 2HB ALA 54 2HB ALA 54 -3.036 17.090 -5.685
406 3HB ALA 54 3HB ALA 54 -2.903 16.810 -7.423
407 H ASN 55 H ASN 55 -1.929 12.877 -5.648
408 HA ASN 55 HA ASN 55 -4.662 12.506 -4.960
409 1HB ASN 55 2HB ASN 55 -5.195 10.994 -6.961
410 2HB ASN 55 1HB ASN 55 -5.199 12.729 -7.262
411 1HD2 ASN 55 1HD2 ASN 55 -4.752 12.593 -9.422
412 2HD2 ASN 55 2HD2 ASN 55 -3.229 12.064 -10.038
413 H LEU 56 H LEU 56 -2.026 11.794 -3.953
414 HA LEU 56 HA LEU 56 -1.883 8.878 -4.382
415 1HB LEU 56 2HB LEU 56 0.263 10.626 -3.178
416 2HB LEU 56 1HB LEU 56 0.430 8.993 -3.793
417 HG LEU 56 HG LEU 56 -0.040 11.494 -5.415
418 1HD1 LEU 56 1HD1 LEU 56 2.160 10.994 -6.358
419 2HD1 LEU 56 2HD1 LEU 56 2.320 9.624 -5.257
420 3HD1 LEU 56 3HD1 LEU 56 2.239 11.266 -4.616
421 1HD2 LEU 56 1HD2 LEU 56 0.114 8.618 -6.315
422 2HD2 LEU 56 2HD2 LEU 56 0.173 10.021 -7.384
423 3HD2 LEU 56 3HD2 LEU 56 -1.276 9.702 -6.434
424 H VAL 57 H VAL 57 -1.939 7.450 -2.727
425 HA VAL 57 HA VAL 57 -2.004 8.466 0.050
426 HB VAL 57 HB VAL 57 -3.609 6.147 -1.069
427 1HG1 VAL 57 1HG1 VAL 57 -4.593 5.982 1.177
428 2HG1 VAL 57 2HG1 VAL 57 -3.488 7.231 1.752
429 3HG1 VAL 57 3HG1 VAL 57 -2.857 5.676 1.205
430 1HG2 VAL 57 1HG2 VAL 57 -4.521 8.825 -0.001
431 2HG2 VAL 57 2HG2 VAL 57 -5.573 7.506 -0.517
432 3HG2 VAL 57 3HG2 VAL 57 -4.540 8.319 -1.692
433 H LEU 58 H LEU 58 -0.264 7.770 1.126
434 HA LEU 58 HA LEU 58 1.142 5.351 0.274
435 1HB LEU 58 2HB LEU 58 2.492 7.334 0.619
436 2HB LEU 58 1HB LEU 58 1.860 7.532 2.240
437 HG LEU 58 HG LEU 58 2.991 5.419 2.912
438 1HD1 LEU 58 1HD1 LEU 58 3.059 4.297 0.760
439 2HD1 LEU 58 2HD1 LEU 58 4.687 4.453 1.420
440 3HD1 LEU 58 3HD1 LEU 58 4.154 5.529 0.130
441 1HD2 LEU 58 1HD2 LEU 58 4.071 7.593 3.276
442 2HD2 LEU 58 2HD2 LEU 58 4.825 7.485 1.684
443 3HD2 LEU 58 3HD2 LEU 58 5.256 6.330 2.946
444 H LEU 59 H LEU 59 0.062 3.599 1.053
445 HA LEU 59 HA LEU 59 -1.064 3.497 3.690
446 1HB LEU 59 2HB LEU 59 -0.543 1.288 1.693
447 2HB LEU 59 1HB LEU 59 -1.449 1.097 3.182
448 HG LEU 59 HG LEU 59 -2.232 2.847 0.847
449 1HD1 LEU 59 1HD1 LEU 59 -3.436 0.274 1.875
450 2HD1 LEU 59 2HD1 LEU 59 -2.506 0.464 0.389
451 3HD1 LEU 59 3HD1 LEU 59 -4.070 1.262 0.558
452 1HD2 LEU 59 1HD2 LEU 59 -3.676 2.324 3.449
453 2HD2 LEU 59 2HD2 LEU 59 -4.326 3.211 2.070
454 3HD2 LEU 59 3HD2 LEU 59 -2.938 3.849 2.951
455 H ALA 60 H ALA 60 0.228 3.510 5.407
456 HA ALA 60 HA ALA 60 2.658 1.850 5.454
457 1HB ALA 60 1HB ALA 60 3.251 3.069 7.473
458 2HB ALA 60 2HB ALA 60 1.690 3.889 7.467
459 3HB ALA 60 3HB ALA 60 2.855 4.204 6.181
460 H VAL 61 H VAL 61 2.367 -0.194 6.157
461 HA VAL 61 HA VAL 61 0.276 -0.695 8.193
462 HB VAL 61 HB VAL 61 1.127 -2.583 5.983
463 1HG1 VAL 61 1HG1 VAL 61 0.359 -3.748 7.992
464 2HG1 VAL 61 2HG1 VAL 61 -0.804 -3.928 6.678
465 3HG1 VAL 61 3HG1 VAL 61 -1.124 -2.794 7.990
466 1HG2 VAL 61 1HG2 VAL 61 -0.083 -0.634 5.101
467 2HG2 VAL 61 2HG2 VAL 61 -1.406 -0.950 6.224
468 3HG2 VAL 61 3HG2 VAL 61 -1.034 -2.113 4.951
469 H GLU 62 H GLU 62 0.799 -1.884 9.948
470 HA GLU 62 HA GLU 62 3.496 -2.561 10.537
471 1HB GLU 62 2HB GLU 62 2.508 -3.619 12.579
472 2HB GLU 62 1HB GLU 62 2.002 -1.955 12.324
473 1HG GLU 62 2HG GLU 62 -0.088 -2.913 11.233
474 2HG GLU 62 1HG GLU 62 0.410 -4.467 11.895
475 H ALA 63 H ALA 63 4.558 -4.184 9.616
476 HA ALA 63 HA ALA 63 3.080 -6.233 8.193
477 1HB ALA 63 1HB ALA 63 6.029 -5.625 8.266
478 2HB ALA 63 2HB ALA 63 4.867 -5.036 7.076
479 3HB ALA 63 3HB ALA 63 5.236 -6.756 7.171
480 H GLU 64 H GLU 64 4.115 -6.148 11.312
481 HA GLU 64 HA GLU 64 5.364 -8.749 11.429
482 1HB GLU 64 2HB GLU 64 4.410 -7.014 13.717
483 2HB GLU 64 1HB GLU 64 5.471 -8.414 13.841
484 1HG GLU 64 2HG GLU 64 7.094 -7.196 12.363
485 2HG GLU 64 1HG GLU 64 6.064 -5.775 12.516
486 HA PRO 65 HA PRO 65 1.020 -9.858 13.617
487 1HB PRO 65 2HB PRO 65 -0.593 -8.000 11.908
488 2HB PRO 65 1HB PRO 65 -0.888 -8.549 13.564
489 1HG PRO 65 2HG PRO 65 0.050 -6.109 13.136
490 2HG PRO 65 1HG PRO 65 0.695 -7.089 14.468
491 1HD PRO 65 2HD PRO 65 1.909 -6.491 11.792
492 2HD PRO 65 1HD PRO 65 2.688 -6.610 13.385
493 H LEU 66 H LEU 66 0.877 -8.709 10.227
494 HA LEU 66 HA LEU 66 -0.246 -11.271 9.371
495 1HB LEU 66 2HB LEU 66 -0.439 -10.100 7.140
496 2HB LEU 66 1HB LEU 66 -1.387 -9.431 8.452
497 HG LEU 66 HG LEU 66 0.482 -7.704 8.737
498 1HD1 LEU 66 1HD1 LEU 66 1.260 -8.742 6.009
499 2HD1 LEU 66 2HD1 LEU 66 2.242 -8.788 7.475
500 3HD1 LEU 66 3HD1 LEU 66 1.837 -7.241 6.733
501 1HD2 LEU 66 1HD2 LEU 66 -1.101 -7.676 6.167
502 2HD2 LEU 66 2HD2 LEU 66 -0.416 -6.274 6.990
503 3HD2 LEU 66 3HD2 LEU 66 -1.706 -7.201 7.754
504 H GLY 67 H GLY 67 2.724 -10.580 10.108
505 1HA GLY 67 2HA GLY 67 4.340 -10.706 7.841
506 2HA GLY 67 1HA GLY 67 4.829 -11.201 9.448
507 H GLU 68 H GLU 68 2.735 -13.354 9.493
508 HA GLU 68 HA GLU 68 4.360 -15.444 8.482
509 1HB GLU 68 2HB GLU 68 2.745 -15.618 10.410
510 2HB GLU 68 1HB GLU 68 1.437 -15.658 9.235
511 1HG GLU 68 2HG GLU 68 2.297 -17.713 8.292
512 2HG GLU 68 1HG GLU 68 3.698 -17.649 9.359
513 H ASP 69 H ASP 69 1.736 -13.635 7.088
514 HA ASP 69 HA ASP 69 1.725 -15.379 4.709
515 1HB ASP 69 2HB ASP 69 -0.260 -13.336 5.724
516 2HB ASP 69 1HB ASP 69 -0.354 -14.041 4.110
517 H LEU 70 H LEU 70 3.537 -12.999 5.674
518 HA LEU 70 HA LEU 70 3.487 -11.501 3.125
519 1HB LEU 70 2HB LEU 70 3.101 -10.122 5.132
520 2HB LEU 70 1HB LEU 70 4.621 -10.681 5.808
521 HG LEU 70 HG LEU 70 5.779 -9.633 3.816
522 1HD1 LEU 70 1HD1 LEU 70 4.565 -7.904 2.586
523 2HD1 LEU 70 2HD1 LEU 70 3.072 -8.365 3.400
524 3HD1 LEU 70 3HD1 LEU 70 3.870 -9.500 2.311
525 1HD2 LEU 70 1HD2 LEU 70 4.227 -7.814 5.658
526 2HD2 LEU 70 2HD2 LEU 70 5.657 -7.364 4.727
527 3HD2 LEU 70 3HD2 LEU 70 5.781 -8.574 6.004
528 H LYS 71 H LYS 71 4.894 -12.584 1.819
529 HA LYS 71 HA LYS 71 7.447 -13.542 2.863
530 1HB LYS 71 2HB LYS 71 6.210 -13.732 0.107
531 2HB LYS 71 1HB LYS 71 7.772 -14.413 0.538
532 1HG LYS 71 2HG LYS 71 6.666 -15.868 2.185
533 2HG LYS 71 1HG LYS 71 5.104 -15.197 1.709
534 1HD LYS 71 2HD LYS 71 5.484 -17.336 0.599
535 2HD LYS 71 1HD LYS 71 5.452 -16.026 -0.583
536 1HE LYS 71 2HE LYS 71 7.929 -16.016 -0.596
537 2HE LYS 71 1HE LYS 71 7.926 -17.366 0.539
538 1HZ LYS 71 1HZ LYS 71 8.243 -18.166 -1.693
539 2HZ LYS 71 2HZ LYS 71 6.844 -17.390 -2.229
540 3HZ LYS 71 3HZ LYS 71 6.728 -18.679 -1.142
541 H TRP 72 H TRP 72 8.928 -11.907 3.154
542 HA TRP 72 HA TRP 72 9.293 -9.762 1.301
543 1HB TRP 72 2HB TRP 72 10.989 -10.871 3.535
544 2HB TRP 72 1HB TRP 72 11.612 -9.620 2.463
545 HD1 TRP 72 HD1 TRP 72 8.867 -10.171 5.108
546 HE1 TRP 72 HE1 TRP 72 8.136 -7.873 5.997
547 HE3 TRP 72 HE3 TRP 72 11.523 -7.189 1.922
548 HZ2 TRP 72 HZ2 TRP 72 8.626 -5.151 5.430
549 HZ3 TRP 72 HZ3 TRP 72 11.339 -4.747 2.162
550 HH2 TRP 72 HH2 TRP 72 9.918 -3.748 3.881
551 H GLU 73 H GLU 73 9.383 -10.629 -0.712
552 HA GLU 73 HA GLU 73 11.499 -12.603 -1.308
553 1HB GLU 73 2HB GLU 73 9.255 -13.575 -1.269
554 2HB GLU 73 1HB GLU 73 8.690 -12.365 -2.408
555 1HG GLU 73 2HG GLU 73 10.138 -13.298 -4.135
556 2HG GLU 73 1HG GLU 73 10.745 -14.497 -2.988
557 H ALA 74 H ALA 74 12.985 -11.865 -2.690
558 HA ALA 74 HA ALA 74 12.654 -9.423 -4.138
559 1HB ALA 74 1HB ALA 74 14.900 -9.818 -4.974
560 2HB ALA 74 2HB ALA 74 14.852 -11.480 -4.385
561 3HB ALA 74 3HB ALA 74 14.827 -10.139 -3.240
562 H SER 75 H SER 75 10.882 -9.729 -5.534
563 HA SER 75 HA SER 75 10.856 -11.827 -7.498
564 1HB SER 75 2HB SER 75 8.947 -10.513 -8.492
565 2HB SER 75 1HB SER 75 8.727 -10.943 -6.797
566 HG SER 75 HG SER 75 9.602 -8.431 -7.803
567 H ARG 76 H ARG 76 12.964 -11.542 -8.360
568 HA ARG 76 HA ARG 76 14.495 -10.908 -9.891
569 1HB ARG 76 2HB ARG 76 12.202 -9.422 -11.190
570 2HB ARG 76 1HB ARG 76 13.753 -9.778 -11.941
571 1HG ARG 76 2HG ARG 76 13.183 -12.248 -11.468
572 2HG ARG 76 1HG ARG 76 11.533 -11.668 -11.230
573 1HD ARG 76 2HD ARG 76 11.902 -12.445 -13.527
574 2HD ARG 76 1HD ARG 76 11.526 -10.722 -13.477
575 HE ARG 76 HE ARG 76 13.597 -10.281 -14.328
576 1HH1 ARG 76 1HH1 ARG 76 13.580 -13.522 -13.147
577 2HH1 ARG 76 2HH1 ARG 76 15.191 -13.839 -13.689
578 1HH2 ARG 76 1HH2 ARG 76 15.651 -10.720 -15.032
579 2HH2 ARG 76 2HH2 ARG 76 16.337 -12.285 -14.757
580 H GLY 77 H GLY 77 15.389 -8.819 -11.112
581 1HA GLY 77 2HA GLY 77 16.208 -6.661 -10.977
582 2HA GLY 77 1HA GLY 77 15.025 -6.323 -9.726
583 H GLY 78 H GLY 78 15.541 -7.540 -7.588
584 1HA GLY 78 2HA GLY 78 17.749 -8.465 -6.525
585 2HA GLY 78 1HA GLY 78 18.319 -6.849 -6.912
586 H ALA 79 H ALA 79 15.466 -5.895 -6.331
587 HA ALA 79 HA ALA 79 15.886 -5.369 -3.515
588 1HB ALA 79 1HB ALA 79 13.975 -3.860 -3.735
589 2HB ALA 79 2HB ALA 79 13.678 -4.467 -5.364
590 3HB ALA 79 3HB ALA 79 15.162 -3.582 -5.011
591 H ARG 80 H ARG 80 14.961 -6.401 -1.857
592 HA ARG 80 HA ARG 80 13.182 -8.604 -2.192
593 1HB ARG 80 2HB ARG 80 14.151 -7.080 0.226
594 2HB ARG 80 1HB ARG 80 13.051 -8.447 0.355
595 1HG ARG 80 2HG ARG 80 14.665 -9.960 -0.473
596 2HG ARG 80 1HG ARG 80 15.710 -8.652 -1.035
597 1HD ARG 80 2HD ARG 80 16.409 -9.846 1.105
598 2HD ARG 80 1HD ARG 80 16.367 -8.086 1.150
599 HE ARG 80 HE ARG 80 14.573 -8.181 2.609
600 1HH1 ARG 80 1HH1 ARG 80 15.283 -11.349 1.459
601 2HH1 ARG 80 2HH1 ARG 80 14.418 -12.123 2.738
602 1HH2 ARG 80 1HH2 ARG 80 13.472 -9.176 4.246
603 2HH2 ARG 80 2HH2 ARG 80 13.393 -10.905 4.297
604 H PHE 81 H PHE 81 11.147 -8.219 -2.930
605 HA PHE 81 HA PHE 81 9.643 -5.925 -1.911
606 1HB PHE 81 2HB PHE 81 9.006 -7.897 -4.124
607 2HB PHE 81 1HB PHE 81 7.973 -6.548 -3.662
608 HD1 PHE 81 HD2 PHE 81 9.056 -4.188 -3.737
609 HD2 PHE 81 HD1 PHE 81 10.625 -7.590 -5.767
610 HE1 PHE 81 HE2 PHE 81 10.299 -2.706 -5.258
611 HE2 PHE 81 HE1 PHE 81 11.866 -6.112 -7.293
612 HZ PHE 81 HZ PHE 81 11.703 -3.668 -7.038
613 HA PRO 82 HA PRO 82 7.551 -8.616 1.030
614 1HB PRO 82 2HB PRO 82 5.773 -6.738 1.924
615 2HB PRO 82 1HB PRO 82 7.453 -6.823 2.462
616 1HG PRO 82 2HG PRO 82 6.212 -5.042 0.395
617 2HG PRO 82 1HG PRO 82 7.403 -4.642 1.648
618 1HD PRO 82 2HD PRO 82 8.101 -5.056 -0.933
619 2HD PRO 82 1HD PRO 82 9.168 -5.485 0.418
620 H HIS 83 H HIS 83 6.330 -10.123 0.013
621 HA HIS 83 HA HIS 83 4.003 -9.307 -1.588
622 1HB HIS 83 2HB HIS 83 5.334 -12.023 -1.350
623 2HB HIS 83 1HB HIS 83 4.026 -11.611 -2.455
624 HD1 HIS 83 HD1 HIS 83 6.722 -12.705 -3.484
625 HD2 HIS 83 HD2 HIS 83 5.789 -8.661 -3.212
626 HE1 HIS 83 HE1 HIS 83 8.199 -11.560 -5.152
627 HE2 HIS 83 HE2 HIS 83 7.721 -9.113 -4.875
628 H LEU 84 H LEU 84 2.236 -9.062 -0.336
629 HA LEU 84 HA LEU 84 1.693 -10.893 1.877
630 1HB LEU 84 2HB LEU 84 1.432 -8.501 2.283
631 2HB LEU 84 1HB LEU 84 0.299 -8.373 0.952
632 HG LEU 84 HG LEU 84 -1.331 -9.721 2.181
633 1HD1 LEU 84 1HD1 LEU 84 -0.961 -10.350 4.516
634 2HD1 LEU 84 2HD1 LEU 84 0.699 -9.761 4.416
635 3HD1 LEU 84 3HD1 LEU 84 0.193 -11.149 3.449
636 1HD2 LEU 84 1HD2 LEU 84 -0.246 -7.443 3.835
637 2HD2 LEU 84 2HD2 LEU 84 -1.875 -8.113 3.927
638 3HD2 LEU 84 3HD2 LEU 84 -1.342 -7.291 2.461
639 H TYR 85 H TYR 85 0.017 -12.352 1.919
640 HA TYR 85 HA TYR 85 -1.529 -12.681 -0.588
641 1HB TYR 85 2HB TYR 85 -0.509 -14.776 1.351
642 2HB TYR 85 1HB TYR 85 -1.584 -15.120 -0.004
643 HD1 TYR 85 HD1 TYR 85 1.816 -13.969 0.908
644 HD2 TYR 85 HD2 TYR 85 -0.736 -15.277 -2.240
645 HE1 TYR 85 HE1 TYR 85 3.762 -14.178 -0.579
646 HE2 TYR 85 HE2 TYR 85 1.202 -15.496 -3.728
647 HH TYR 85 HH TYR 85 3.422 -14.690 -3.975
648 H ARG 86 H ARG 86 -2.352 -11.090 1.732
649 HA ARG 86 HA ARG 86 -4.901 -12.425 2.305
650 1HB ARG 86 2HB ARG 86 -3.073 -11.184 4.371
651 2HB ARG 86 1HB ARG 86 -4.772 -11.528 4.675
652 1HG ARG 86 2HG ARG 86 -2.677 -13.566 3.928
653 2HG ARG 86 1HG ARG 86 -3.306 -13.282 5.553
654 1HD ARG 86 2HD ARG 86 -5.471 -14.055 4.950
655 2HD ARG 86 1HD ARG 86 -5.078 -14.029 3.230
656 HE ARG 86 HE ARG 86 -3.315 -15.786 4.465
657 1HH1 ARG 86 1HH1 ARG 86 -6.695 -15.537 3.892
658 2HH1 ARG 86 2HH1 ARG 86 -6.926 -17.246 3.807
659 1HH2 ARG 86 1HH2 ARG 86 -3.617 -17.987 4.358
660 2HH2 ARG 86 2HH2 ARG 86 -5.201 -18.617 4.059
661 HA PRO 87 HA PRO 87 -6.618 -8.463 1.193
662 1HB PRO 87 2HB PRO 87 -8.918 -9.195 2.909
663 2HB PRO 87 1HB PRO 87 -8.871 -8.866 1.174
664 1HG PRO 87 2HG PRO 87 -9.224 -11.353 2.107
665 2HG PRO 87 1HG PRO 87 -8.276 -11.042 0.640
666 1HD PRO 87 2HD PRO 87 -7.318 -11.615 3.428
667 2HD PRO 87 1HD PRO 87 -6.707 -12.234 1.878
668 H LEU 88 H LEU 88 -5.988 -6.588 2.098
669 HA LEU 88 HA LEU 88 -5.583 -6.370 4.949
670 1HB LEU 88 2HB LEU 88 -3.955 -5.456 3.372
671 2HB LEU 88 1HB LEU 88 -5.173 -4.383 2.711
672 HG LEU 88 HG LEU 88 -5.300 -3.216 4.900
673 1HD1 LEU 88 1HD1 LEU 88 -4.594 -5.041 6.357
674 2HD1 LEU 88 2HD1 LEU 88 -3.572 -3.622 6.588
675 3HD1 LEU 88 3HD1 LEU 88 -2.976 -4.994 5.653
676 1HD2 LEU 88 1HD2 LEU 88 -3.856 -2.373 3.107
677 2HD2 LEU 88 2HD2 LEU 88 -2.522 -3.354 3.716
678 3HD2 LEU 88 3HD2 LEU 88 -3.173 -2.041 4.697
679 H LEU 89 H LEU 89 -7.301 -5.966 6.229
680 HA LEU 89 HA LEU 89 -9.635 -4.555 5.404
681 1HB LEU 89 2HB LEU 89 -8.573 -5.369 8.104
682 2HB LEU 89 1HB LEU 89 -10.036 -4.420 7.953
683 HG LEU 89 HG LEU 89 -10.545 -6.782 8.278
684 1HD1 LEU 89 1HD1 LEU 89 -12.100 -5.446 6.986
685 2HD1 LEU 89 2HD1 LEU 89 -12.051 -7.102 6.380
686 3HD1 LEU 89 3HD1 LEU 89 -11.217 -5.817 5.504
687 1HD2 LEU 89 1HD2 LEU 89 -9.983 -8.464 6.622
688 2HD2 LEU 89 2HD2 LEU 89 -8.514 -7.728 7.260
689 3HD2 LEU 89 3HD2 LEU 89 -9.112 -7.267 5.664
690 H VAL 90 H VAL 90 -10.159 -2.399 5.554
691 HA VAL 90 HA VAL 90 -8.143 -0.457 5.724
692 HB VAL 90 HB VAL 90 -11.131 -0.098 6.105
693 1HG1 VAL 90 1HG1 VAL 90 -10.730 2.250 5.450
694 2HG1 VAL 90 2HG1 VAL 90 -8.992 1.952 5.493
695 3HG1 VAL 90 3HG1 VAL 90 -9.944 1.837 6.973
696 1HG2 VAL 90 1HG2 VAL 90 -9.412 0.199 3.631
697 2HG2 VAL 90 2HG2 VAL 90 -11.145 0.508 3.735
698 3HG2 VAL 90 3HG2 VAL 90 -10.529 -1.128 3.959
699 H SER 91 H SER 91 -10.448 -1.581 8.169
700 HA SER 91 HA SER 91 -9.561 0.174 10.242
701 1HB SER 91 2HB SER 91 -11.779 -0.877 10.307
702 2HB SER 91 1HB SER 91 -11.034 -2.469 10.437
703 HG SER 91 HG SER 91 -9.964 -1.200 12.385
704 H GLU 92 H GLU 92 -8.088 -2.492 8.833
705 HA GLU 92 HA GLU 92 -6.568 -3.261 11.212
706 1HB GLU 92 2HB GLU 92 -7.449 -5.065 9.856
707 2HB GLU 92 1HB GLU 92 -6.690 -4.411 8.414
708 1HG GLU 92 2HG GLU 92 -4.502 -4.940 9.265
709 2HG GLU 92 1HG GLU 92 -5.185 -5.445 10.811
710 H VAL 93 H VAL 93 -6.308 -1.174 8.526
711 HA VAL 93 HA VAL 93 -3.501 -1.220 8.094
712 HB VAL 93 HB VAL 93 -5.428 1.082 7.649
713 1HG1 VAL 93 1HG1 VAL 93 -2.696 0.558 6.462
714 2HG1 VAL 93 2HG1 VAL 93 -3.101 1.819 7.626
715 3HG1 VAL 93 3HG1 VAL 93 -3.782 1.870 6.000
716 1HG2 VAL 93 1HG2 VAL 93 -5.529 0.279 5.322
717 2HG2 VAL 93 2HG2 VAL 93 -6.168 -0.905 6.462
718 3HG2 VAL 93 3HG2 VAL 93 -4.557 -1.123 5.774
719 H THR 94 H THR 94 -1.849 0.071 8.934
720 HA THR 94 HA THR 94 -2.232 1.030 11.628
721 HB THR 94 HB THR 94 0.262 1.197 9.912
722 HG1 THR 94 HG1 THR 94 -0.366 -0.777 11.876
723 1HG2 THR 94 1HG2 THR 94 0.342 2.678 11.854
724 2HG2 THR 94 2HG2 THR 94 1.434 1.311 12.082
725 3HG2 THR 94 3HG2 THR 94 -0.122 1.344 12.910
726 H ARG 95 H ARG 95 -1.196 2.532 8.553
727 HA ARG 95 HA ARG 95 -2.409 5.054 9.370
728 1HB ARG 95 2HB ARG 95 -0.102 5.191 10.235
729 2HB ARG 95 1HB ARG 95 0.517 4.877 8.624
730 1HG ARG 95 2HG ARG 95 0.711 7.207 8.998
731 2HG ARG 95 1HG ARG 95 -0.628 6.983 7.871
732 1HD ARG 95 2HD ARG 95 -1.245 8.625 9.537
733 2HD ARG 95 1HD ARG 95 -2.209 7.165 9.771
734 HE ARG 95 HE ARG 95 0.193 7.704 11.385
735 1HH1 ARG 95 1HH1 ARG 95 -3.152 6.905 11.161
736 2HH1 ARG 95 2HH1 ARG 95 -3.318 6.689 12.869
737 1HH2 ARG 95 1HH2 ARG 95 -0.031 7.412 13.552
738 2HH2 ARG 95 2HH2 ARG 95 -1.564 6.957 14.210
739 H GLU 96 H GLU 96 -3.061 6.306 7.689
740 HA GLU 96 HA GLU 96 -2.303 5.464 4.960
741 1HB GLU 96 2HB GLU 96 -4.465 6.386 4.172
742 2HB GLU 96 1HB GLU 96 -4.667 5.044 5.286
743 1HG GLU 96 2HG GLU 96 -5.338 6.502 7.050
744 2HG GLU 96 1HG GLU 96 -4.885 7.932 6.123
745 H ALA 97 H ALA 97 -0.652 6.810 4.478
746 HA ALA 97 HA ALA 97 -0.755 9.609 5.290
747 1HB ALA 97 1HB ALA 97 1.437 8.041 3.931
748 2HB ALA 97 2HB ALA 97 1.321 8.410 5.651
749 3HB ALA 97 3HB ALA 97 1.567 9.710 4.485
750 H ASP 98 H ASP 98 -2.405 10.386 3.942
751 HA ASP 98 HA ASP 98 -2.353 10.178 1.113
752 1HB ASP 98 2HB ASP 98 -3.979 12.165 1.261
753 2HB ASP 98 1HB ASP 98 -4.462 10.655 2.024
754 H LEU 99 H LEU 99 -0.645 10.860 0.028
755 HA LEU 99 HA LEU 99 0.944 12.164 -0.905
756 1HB LEU 99 2HB LEU 99 -1.104 13.593 -1.290
757 2HB LEU 99 1HB LEU 99 -0.632 14.527 0.118
758 HG LEU 99 HG LEU 99 1.519 15.079 -1.025
759 1HD1 LEU 99 1HD1 LEU 99 1.682 14.693 -3.447
760 2HD1 LEU 99 2HD1 LEU 99 0.220 13.707 -3.378
761 3HD1 LEU 99 3HD1 LEU 99 1.676 13.189 -2.527
762 1HD2 LEU 99 1HD2 LEU 99 -0.984 15.854 -2.531
763 2HD2 LEU 99 2HD2 LEU 99 0.563 16.701 -2.589
764 3HD2 LEU 99 3HD2 LEU 99 -0.355 16.644 -1.084
765 H ASP 100 H ASP 100 2.809 11.830 0.173
766 HA ASP 100 HA ASP 100 3.411 13.556 2.499
767 1HB ASP 100 2HB ASP 100 3.206 11.057 2.950
768 2HB ASP 100 1HB ASP 100 4.630 10.833 1.943
769 H LEU 101 H LEU 101 4.367 15.226 1.283
770 HA LEU 101 HA LEU 101 6.820 14.516 -0.212
771 1HB LEU 101 2HB LEU 101 4.832 16.663 -0.972
772 2HB LEU 101 1HB LEU 101 6.317 16.294 -1.824
773 HG LEU 101 HG LEU 101 3.894 14.496 -1.607
774 1HD1 LEU 101 1HD1 LEU 101 3.570 16.407 -3.090
775 2HD1 LEU 101 2HD1 LEU 101 3.660 14.898 -3.997
776 3HD1 LEU 101 3HD1 LEU 101 5.046 15.988 -3.962
777 1HD2 LEU 101 1HD2 LEU 101 5.060 13.025 -3.182
778 2HD2 LEU 101 2HD2 LEU 101 5.944 13.166 -1.664
779 3HD2 LEU 101 3HD2 LEU 101 6.493 14.051 -3.087
780 H ASP 102 H ASP 102 8.389 16.299 -0.440
781 HA ASP 102 HA ASP 102 8.247 18.256 1.767
782 1HB ASP 102 2HB ASP 102 10.133 16.484 1.594
783 2HB ASP 102 1HB ASP 102 10.769 17.492 0.302
784 H ALA 103 H ALA 103 10.179 20.075 0.926
785 HA ALA 103 HA ALA 103 8.672 21.837 -0.629
786 1HB ALA 103 1HB ALA 103 10.402 22.529 0.969
787 2HB ALA 103 2HB ALA 103 10.627 23.276 -0.613
788 3HB ALA 103 3HB ALA 103 11.646 21.922 -0.126
789 H ASP 104 H ASP 104 10.927 19.393 -1.681
790 HA ASP 104 HA ASP 104 11.241 20.553 -4.338
791 1HB ASP 104 2HB ASP 104 12.264 17.913 -3.251
792 2HB ASP 104 1HB ASP 104 12.747 18.678 -4.763
793 H GLY 105 H GLY 105 8.818 18.975 -2.883
794 1HA GLY 105 2HA GLY 105 6.990 17.823 -3.691
795 2HA GLY 105 1HA GLY 105 7.708 17.909 -5.288
796 H VAL 106 H VAL 106 9.959 16.660 -3.197
797 HA VAL 106 HA VAL 106 9.556 13.949 -4.188
798 HB VAL 106 HB VAL 106 11.814 15.141 -2.545
799 1HG1 VAL 106 1HG1 VAL 106 11.623 12.731 -2.150
800 2HG1 VAL 106 2HG1 VAL 106 13.069 13.096 -3.090
801 3HG1 VAL 106 3HG1 VAL 106 11.642 12.433 -3.888
802 1HG2 VAL 106 1HG2 VAL 106 11.705 16.098 -4.777
803 2HG2 VAL 106 2HG2 VAL 106 11.654 14.486 -5.492
804 3HG2 VAL 106 3HG2 VAL 106 13.103 15.029 -4.643
805 HA PRO 107 HA PRO 107 7.627 12.537 -0.370
806 1HB PRO 107 2HB PRO 107 8.365 9.880 -0.599
807 2HB PRO 107 1HB PRO 107 6.958 10.597 -1.391
808 1HG PRO 107 2HG PRO 107 9.694 10.075 -2.503
809 2HG PRO 107 1HG PRO 107 8.111 9.813 -3.256
810 1HD PRO 107 2HD PRO 107 9.604 11.937 -3.894
811 2HD PRO 107 1HD PRO 107 7.835 12.072 -3.760
812 H GLN 108 H GLN 108 8.908 13.528 1.178
813 HA GLN 108 HA GLN 108 11.642 12.665 1.621
814 1HB GLN 108 2HB GLN 108 10.508 15.074 1.789
815 2HB GLN 108 1HB GLN 108 10.251 14.574 3.453
816 1HG GLN 108 2HG GLN 108 12.300 15.909 3.095
817 2HG GLN 108 1HG GLN 108 12.602 14.325 3.810
818 1HE2 GLN 108 1HE2 GLN 108 12.855 16.242 0.887
819 2HE2 GLN 108 2HE2 GLN 108 14.038 15.246 0.120
820 H LEU 109 H LEU 109 9.983 10.584 2.028
821 HA LEU 109 HA LEU 109 8.986 10.262 4.636
822 1HB LEU 109 2HB LEU 109 9.024 7.767 3.984
823 2HB LEU 109 1HB LEU 109 7.980 8.868 3.115
824 HG LEU 109 HG LEU 109 9.657 8.961 1.273
825 1HD1 LEU 109 1HD1 LEU 109 11.406 7.222 1.206
826 2HD1 LEU 109 2HD1 LEU 109 11.032 6.819 2.886
827 3HD1 LEU 109 3HD1 LEU 109 11.666 8.415 2.477
828 1HD2 LEU 109 1HD2 LEU 109 8.648 6.202 1.986
829 2HD2 LEU 109 2HD2 LEU 109 9.161 6.733 0.384
830 3HD2 LEU 109 3HD2 LEU 109 7.742 7.458 1.138
831 H GLY 110 H GLY 110 12.135 10.651 3.950
832 1HA GLY 110 2HA GLY 110 13.583 8.737 5.315
833 2HA GLY 110 1HA GLY 110 13.975 10.450 5.321
834 H ASP 111 H ASP 111 11.615 11.353 6.702
835 HA ASP 111 HA ASP 111 12.276 10.885 9.413
836 1HB ASP 111 2HB ASP 111 9.747 12.008 8.185
837 2HB ASP 111 1HB ASP 111 10.123 12.050 9.906
838 H HIS 112 H HIS 112 10.075 9.272 7.233
839 HA HIS 112 HA HIS 112 8.839 7.626 9.264
840 1HB HIS 112 2HB HIS 112 8.888 7.363 6.242
841 2HB HIS 112 1HB HIS 112 7.916 6.365 7.309
842 HD1 HIS 112 HD1 HIS 112 6.490 8.279 9.069
843 HD2 HIS 112 HD2 HIS 112 7.245 9.134 5.076
844 HE1 HIS 112 HE1 HIS 112 4.814 10.031 8.429
845 HE2 HIS 112 HE2 HIS 112 5.428 10.677 6.077
846 H LEU 113 H LEU 113 11.725 7.546 7.370
847 HA LEU 113 HA LEU 113 12.155 4.672 7.881
848 1HB LEU 113 2HB LEU 113 13.678 6.486 6.009
849 2HB LEU 113 1HB LEU 113 13.798 4.742 6.110
850 HG LEU 113 HG LEU 113 11.525 6.378 5.009
851 1HD1 LEU 113 1HD1 LEU 113 13.406 5.959 3.514
852 2HD1 LEU 113 2HD1 LEU 113 11.964 5.095 2.984
853 3HD1 LEU 113 3HD1 LEU 113 13.262 4.224 3.804
854 1HD2 LEU 113 1HD2 LEU 113 10.541 4.620 6.376
855 2HD2 LEU 113 2HD2 LEU 113 11.544 3.411 5.574
856 3HD2 LEU 113 3HD2 LEU 113 10.308 4.278 4.661
857 H ALA 114 H ALA 114 14.973 4.706 7.512
858 HA ALA 114 HA ALA 114 16.055 6.483 9.573
859 1HB ALA 114 1HB ALA 114 17.106 4.643 10.801
860 2HB ALA 114 2HB ALA 114 16.305 3.479 9.745
861 3HB ALA 114 3HB ALA 114 15.348 4.507 10.811
862 H LEU 115 H LEU 115 16.581 4.340 6.847
863 HA LEU 115 HA LEU 115 19.454 4.450 6.953
864 1HB LEU 115 2HB LEU 115 17.611 3.501 4.757
865 2HB LEU 115 1HB LEU 115 19.352 3.283 4.775
866 HG LEU 115 HG LEU 115 17.395 2.074 6.742
867 1HD1 LEU 115 1HD1 LEU 115 19.035 0.801 4.548
868 2HD1 LEU 115 2HD1 LEU 115 17.285 1.028 4.546
869 3HD1 LEU 115 3HD1 LEU 115 18.031 -0.057 5.718
870 1HD2 LEU 115 1HD2 LEU 115 19.322 0.860 7.634
871 2HD2 LEU 115 2HD2 LEU 115 19.532 2.601 7.811
872 3HD2 LEU 115 3HD2 LEU 115 20.392 1.734 6.538
873 H GLU 116 H GLU 116 20.864 5.573 5.745
874 HA GLU 116 HA GLU 116 21.804 7.164 4.485
875 1HB GLU 116 2HB GLU 116 20.793 6.016 2.602
876 2HB GLU 116 1HB GLU 116 19.299 6.922 2.813
877 1HG GLU 116 2HG GLU 116 20.355 8.969 2.189
878 2HG GLU 116 1HG GLU 116 21.950 8.228 2.220
Start of MODEL 16
1 1H MET 1 1H MET 1 13.629 -1.485 8.124
2 2H MET 1 2H MET 1 12.231 -1.270 9.048
3 3H MET 1 3H MET 1 12.142 -1.234 7.362
4 HA MET 1 HA MET 1 12.771 -3.542 7.218
5 1HB MET 1 2HB MET 1 14.156 -3.660 9.225
6 2HB MET 1 1HB MET 1 12.748 -3.400 10.246
7 1HG MET 1 2HG MET 1 11.808 -5.537 9.449
8 2HG MET 1 1HG MET 1 13.269 -5.801 8.497
9 1HE MET 1 1HE MET 1 13.436 -8.190 9.720
10 2HE MET 1 2HE MET 1 12.041 -7.830 10.736
11 3HE MET 1 3HE MET 1 13.545 -8.382 11.470
12 H THR 2 H THR 2 10.768 -2.896 10.111
13 HA THR 2 HA THR 2 8.651 -4.581 9.163
14 HB THR 2 HB THR 2 8.628 -2.649 11.502
15 HG1 THR 2 HG1 THR 2 9.217 -5.448 11.513
16 1HG2 THR 2 1HG2 THR 2 6.889 -4.143 12.409
17 2HG2 THR 2 2HG2 THR 2 6.921 -5.080 10.915
18 3HG2 THR 2 3HG2 THR 2 6.384 -3.400 10.892
19 H LEU 3 H LEU 3 9.348 -1.210 8.833
20 HA LEU 3 HA LEU 3 6.650 -0.334 8.410
21 1HB LEU 3 2HB LEU 3 9.278 0.974 7.690
22 2HB LEU 3 1HB LEU 3 7.709 1.750 7.564
23 HG LEU 3 HG LEU 3 9.009 0.804 10.125
24 1HD1 LEU 3 1HD1 LEU 3 9.204 3.175 10.659
25 2HD1 LEU 3 2HD1 LEU 3 8.533 3.596 9.083
26 3HD1 LEU 3 3HD1 LEU 3 10.093 2.780 9.188
27 1HD2 LEU 3 1HD2 LEU 3 7.151 1.901 11.262
28 2HD2 LEU 3 2HD2 LEU 3 6.568 0.611 10.211
29 3HD2 LEU 3 3HD2 LEU 3 6.415 2.296 9.708
30 H ILE 4 H ILE 4 5.632 -1.440 6.783
31 HA ILE 4 HA ILE 4 6.839 -1.305 4.095
32 HB ILE 4 HB ILE 4 5.109 -2.943 3.412
33 1HG1 ILE 4 2HG1 ILE 4 4.423 -2.922 6.366
34 2HG1 ILE 4 1HG1 ILE 4 3.364 -2.477 5.031
35 1HG2 ILE 4 1HG2 ILE 4 6.123 -4.880 4.529
36 2HG2 ILE 4 2HG2 ILE 4 6.823 -3.812 5.745
37 3HG2 ILE 4 3HG2 ILE 4 7.341 -3.693 4.063
38 1HD1 ILE 4 1HD1 ILE 4 2.777 -4.654 5.874
39 2HD1 ILE 4 2HD1 ILE 4 4.426 -5.228 5.633
40 3HD1 ILE 4 3HD1 ILE 4 3.429 -4.805 4.242
41 H TYR 5 H TYR 5 5.703 -0.378 2.353
42 HA TYR 5 HA TYR 5 3.510 1.428 3.168
43 1HB TYR 5 2HB TYR 5 5.909 2.096 1.443
44 2HB TYR 5 1HB TYR 5 4.536 3.167 1.705
45 HD1 TYR 5 HD1 TYR 5 7.464 1.582 3.327
46 HD2 TYR 5 HD2 TYR 5 4.313 4.418 3.732
47 HE1 TYR 5 HE1 TYR 5 8.552 2.501 5.337
48 HE2 TYR 5 HE2 TYR 5 5.391 5.339 5.739
49 HH TYR 5 HH TYR 5 7.034 4.433 7.527
50 H LYS 6 H LYS 6 2.009 2.031 1.578
51 HA LYS 6 HA LYS 6 2.302 0.957 -1.121
52 1HB LYS 6 2HB LYS 6 1.118 -0.798 0.184
53 2HB LYS 6 1HB LYS 6 -0.141 0.366 0.571
54 1HG LYS 6 2HG LYS 6 -0.751 0.542 -1.766
55 2HG LYS 6 1HG LYS 6 0.581 -0.524 -2.220
56 1HD LYS 6 2HD LYS 6 -0.450 -2.337 -0.899
57 2HD LYS 6 1HD LYS 6 -1.793 -1.266 -0.498
58 1HE LYS 6 2HE LYS 6 -2.360 -2.792 -2.327
59 2HE LYS 6 1HE LYS 6 -2.395 -1.109 -2.851
60 1HZ LYS 6 1HZ LYS 6 -0.031 -2.847 -3.263
61 2HZ LYS 6 2HZ LYS 6 -0.392 -1.371 -4.014
62 3HZ LYS 6 3HZ LYS 6 -1.292 -2.752 -4.385
63 H ILE 7 H ILE 7 2.167 2.795 -2.246
64 HA ILE 7 HA ILE 7 0.352 4.932 -1.425
65 HB ILE 7 HB ILE 7 2.379 4.877 -3.680
66 1HG1 ILE 7 2HG1 ILE 7 2.582 6.098 -0.907
67 2HG1 ILE 7 1HG1 ILE 7 3.408 4.637 -1.433
68 1HG2 ILE 7 1HG2 ILE 7 0.599 6.516 -4.056
69 2HG2 ILE 7 2HG2 ILE 7 2.129 7.316 -3.704
70 3HG2 ILE 7 3HG2 ILE 7 0.885 7.209 -2.458
71 1HD1 ILE 7 1HD1 ILE 7 4.904 6.537 -1.432
72 2HD1 ILE 7 2HD1 ILE 7 3.838 7.403 -2.537
73 3HD1 ILE 7 3HD1 ILE 7 4.663 5.937 -3.072
74 H LEU 8 H LEU 8 -1.458 5.555 -2.537
75 HA LEU 8 HA LEU 8 -1.958 4.627 -5.240
76 1HB LEU 8 2HB LEU 8 -3.959 3.415 -4.822
77 2HB LEU 8 1HB LEU 8 -2.736 2.750 -3.760
78 HG LEU 8 HG LEU 8 -4.938 4.656 -2.928
79 1HD1 LEU 8 1HD1 LEU 8 -5.803 2.451 -3.464
80 2HD1 LEU 8 2HD1 LEU 8 -5.852 2.725 -1.722
81 3HD1 LEU 8 3HD1 LEU 8 -4.596 1.700 -2.419
82 1HD2 LEU 8 1HD2 LEU 8 -2.948 4.981 -1.563
83 2HD2 LEU 8 2HD2 LEU 8 -2.852 3.247 -1.257
84 3HD2 LEU 8 3HD2 LEU 8 -4.212 4.180 -0.631
85 H SER 9 H SER 9 -4.228 5.403 -5.961
86 HA SER 9 HA SER 9 -4.386 8.220 -5.400
87 1HB SER 9 2HB SER 9 -6.130 8.290 -7.097
88 2HB SER 9 1HB SER 9 -4.792 7.297 -7.670
89 HG SER 9 HG SER 9 -6.021 5.554 -7.593
90 H ARG 10 H ARG 10 -6.060 9.371 -4.450
91 HA ARG 10 HA ARG 10 -7.212 8.398 -2.146
92 1HB ARG 10 2HB ARG 10 -7.189 10.846 -3.547
93 2HB ARG 10 1HB ARG 10 -8.885 10.485 -3.283
94 1HG ARG 10 2HG ARG 10 -6.764 10.638 -1.139
95 2HG ARG 10 1HG ARG 10 -7.959 11.882 -1.504
96 1HD ARG 10 2HD ARG 10 -9.755 10.275 -0.944
97 2HD ARG 10 1HD ARG 10 -8.526 9.088 -0.506
98 HE ARG 10 HE ARG 10 -7.906 11.212 1.050
99 1HH1 ARG 10 1HH1 ARG 10 -10.818 9.451 0.500
100 2HH1 ARG 10 2HH1 ARG 10 -11.426 9.755 2.091
101 1HH2 ARG 10 1HH2 ARG 10 -8.706 11.593 3.091
102 2HH2 ARG 10 2HH2 ARG 10 -10.250 10.957 3.541
103 H ALA 11 H ALA 11 -8.664 8.546 -5.382
104 HA ALA 11 HA ALA 11 -11.274 7.783 -4.716
105 1HB ALA 11 1HB ALA 11 -11.514 7.170 -7.073
106 2HB ALA 11 2HB ALA 11 -9.762 7.249 -7.273
107 3HB ALA 11 3HB ALA 11 -10.673 8.710 -6.887
108 H GLU 12 H GLU 12 -8.557 5.706 -5.796
109 HA GLU 12 HA GLU 12 -10.009 3.279 -5.587
110 1HB GLU 12 2HB GLU 12 -7.023 3.790 -5.584
111 2HB GLU 12 1HB GLU 12 -7.753 2.193 -5.707
112 1HG GLU 12 2HG GLU 12 -8.858 2.848 -7.787
113 2HG GLU 12 1HG GLU 12 -8.144 4.454 -7.665
114 H TRP 13 H TRP 13 -8.163 5.144 -3.263
115 HA TRP 13 HA TRP 13 -8.088 3.162 -1.222
116 1HB TRP 13 2HB TRP 13 -6.563 5.063 -1.214
117 2HB TRP 13 1HB TRP 13 -7.910 6.180 -1.058
118 HD1 TRP 13 HD1 TRP 13 -7.329 7.218 1.227
119 HE1 TRP 13 HE1 TRP 13 -7.149 6.327 3.639
120 HE3 TRP 13 HE3 TRP 13 -7.546 2.192 0.270
121 HZ2 TRP 13 HZ2 TRP 13 -7.112 3.845 4.950
122 HZ3 TRP 13 HZ3 TRP 13 -7.435 0.631 2.167
123 HH2 TRP 13 HH2 TRP 13 -7.220 1.443 4.458
124 H ASP 14 H ASP 14 -10.321 5.907 -1.818
125 HA ASP 14 HA ASP 14 -12.138 5.336 0.246
126 1HB ASP 14 2HB ASP 14 -12.387 6.738 -2.400
127 2HB ASP 14 1HB ASP 14 -13.827 6.430 -1.435
128 H ALA 15 H ALA 15 -11.794 3.938 -2.979
129 HA ALA 15 HA ALA 15 -14.161 2.437 -3.085
130 1HB ALA 15 1HB ALA 15 -12.645 2.718 -5.001
131 2HB ALA 15 2HB ALA 15 -13.011 1.019 -4.703
132 3HB ALA 15 3HB ALA 15 -11.455 1.687 -4.207
133 H ALA 16 H ALA 16 -10.999 1.649 -1.656
134 HA ALA 16 HA ALA 16 -11.629 -0.922 -0.695
135 1HB ALA 16 1HB ALA 16 -9.766 -0.621 0.859
136 2HB ALA 16 2HB ALA 16 -9.736 1.107 0.500
137 3HB ALA 16 3HB ALA 16 -9.342 -0.064 -0.760
138 H LYS 17 H LYS 17 -11.875 2.249 0.953
139 HA LYS 17 HA LYS 17 -12.954 1.336 3.374
140 1HB LYS 17 2HB LYS 17 -13.481 3.973 1.976
141 2HB LYS 17 1HB LYS 17 -13.820 3.636 3.667
142 1HG LYS 17 2HG LYS 17 -11.395 3.247 4.032
143 2HG LYS 17 1HG LYS 17 -11.107 3.722 2.356
144 1HD LYS 17 2HD LYS 17 -12.150 5.925 2.847
145 2HD LYS 17 1HD LYS 17 -12.311 5.440 4.535
146 1HE LYS 17 2HE LYS 17 -9.864 5.194 4.679
147 2HE LYS 17 1HE LYS 17 -9.723 5.721 3.002
148 1HZ LYS 17 1HZ LYS 17 -10.855 7.818 3.723
149 2HZ LYS 17 2HZ LYS 17 -9.304 7.589 4.354
150 3HZ LYS 17 3HZ LYS 17 -10.659 7.310 5.326
151 H ALA 18 H ALA 18 -14.539 2.117 0.317
152 HA ALA 18 HA ALA 18 -17.219 1.952 1.167
153 1HB ALA 18 1HB ALA 18 -16.526 2.918 -0.979
154 2HB ALA 18 2HB ALA 18 -17.764 1.680 -1.193
155 3HB ALA 18 3HB ALA 18 -16.076 1.312 -1.554
156 H GLN 19 H GLN 19 -15.174 -0.546 -0.384
157 HA GLN 19 HA GLN 19 -17.150 -2.605 0.009
158 1HB GLN 19 2HB GLN 19 -15.409 -4.128 -0.880
159 2HB GLN 19 1HB GLN 19 -15.681 -2.730 -1.912
160 1HG GLN 19 2HG GLN 19 -13.674 -1.662 -0.980
161 2HG GLN 19 1HG GLN 19 -13.395 -3.082 0.023
162 1HE2 GLN 19 1HE2 GLN 19 -13.302 -1.793 -3.203
163 2HE2 GLN 19 2HE2 GLN 19 -12.404 -3.087 -3.907
164 H GLY 20 H GLY 20 -14.872 -1.188 2.059
165 1HA GLY 20 2HA GLY 20 -14.470 -1.668 4.301
166 2HA GLY 20 1HA GLY 20 -15.331 -3.188 4.111
167 H ARG 21 H ARG 21 -13.917 -4.388 2.104
168 HA ARG 21 HA ARG 21 -11.340 -4.955 3.356
169 1HB ARG 21 2HB ARG 21 -12.941 -6.389 1.224
170 2HB ARG 21 1HB ARG 21 -11.309 -6.866 1.678
171 1HG ARG 21 2HG ARG 21 -12.078 -7.233 3.986
172 2HG ARG 21 1HG ARG 21 -13.719 -6.815 3.489
173 1HD ARG 21 2HD ARG 21 -12.171 -9.020 2.150
174 2HD ARG 21 1HD ARG 21 -13.092 -9.303 3.624
175 HE ARG 21 HE ARG 21 -15.056 -8.462 2.315
176 1HH1 ARG 21 1HH1 ARG 21 -12.342 -9.785 0.645
177 2HH1 ARG 21 2HH1 ARG 21 -13.310 -10.460 -0.611
178 1HH2 ARG 21 1HH2 ARG 21 -16.281 -9.333 0.690
179 2HH2 ARG 21 2HH2 ARG 21 -15.510 -10.205 -0.589
180 H PHE 22 H PHE 22 -9.721 -5.743 1.461
181 HA PHE 22 HA PHE 22 -9.743 -3.868 -0.784
182 1HB PHE 22 2HB PHE 22 -8.314 -2.862 0.992
183 2HB PHE 22 1HB PHE 22 -7.317 -4.313 0.987
184 HD1 PHE 22 HD2 PHE 22 -8.562 -1.647 -1.311
185 HD2 PHE 22 HD1 PHE 22 -5.432 -4.377 -0.359
186 HE1 PHE 22 HE2 PHE 22 -7.170 -0.669 -3.087
187 HE2 PHE 22 HE1 PHE 22 -4.040 -3.402 -2.132
188 HZ PHE 22 HZ PHE 22 -4.906 -1.546 -3.499
189 H GLU 23 H GLU 23 -10.216 -5.512 -2.177
190 HA GLU 23 HA GLU 23 -8.819 -8.001 -2.262
191 1HB GLU 23 2HB GLU 23 -10.390 -6.687 -4.496
192 2HB GLU 23 1HB GLU 23 -10.022 -8.399 -4.327
193 1HG GLU 23 2HG GLU 23 -11.778 -6.806 -2.459
194 2HG GLU 23 1HG GLU 23 -12.355 -7.846 -3.759
195 H GLY 24 H GLY 24 -8.143 -4.851 -3.466
196 1HA GLY 24 2HA GLY 24 -5.639 -4.723 -3.985
197 2HA GLY 24 1HA GLY 24 -6.029 -5.875 -5.252
198 H SER 25 H SER 25 -4.886 -3.189 -5.480
199 HA SER 25 HA SER 25 -6.957 -1.706 -6.924
200 1HB SER 25 2HB SER 25 -5.304 0.049 -7.198
201 2HB SER 25 1HB SER 25 -5.270 -0.485 -5.519
202 HG SER 25 HG SER 25 -3.447 -1.830 -6.144
203 H ALA 26 H ALA 26 -5.652 -0.650 -9.064
204 HA ALA 26 HA ALA 26 -5.966 -2.478 -11.083
205 1HB ALA 26 1HB ALA 26 -5.782 -0.058 -11.419
206 2HB ALA 26 2HB ALA 26 -4.724 -0.948 -12.514
207 3HB ALA 26 3HB ALA 26 -4.049 -0.146 -11.096
208 H VAL 27 H VAL 27 -2.814 -1.559 -9.658
209 HA VAL 27 HA VAL 27 -1.216 -3.279 -11.187
210 HB VAL 27 HB VAL 27 -0.701 -2.261 -8.381
211 1HG1 VAL 27 1HG1 VAL 27 1.690 -2.574 -8.936
212 2HG1 VAL 27 2HG1 VAL 27 1.218 -3.360 -10.443
213 3HG1 VAL 27 3HG1 VAL 27 0.798 -4.095 -8.895
214 1HG2 VAL 27 1HG2 VAL 27 -1.139 -0.439 -9.926
215 2HG2 VAL 27 2HG2 VAL 27 0.038 -1.089 -11.068
216 3HG2 VAL 27 3HG2 VAL 27 0.574 -0.473 -9.504
217 H ASP 28 H ASP 28 -2.472 -3.771 -7.883
218 HA ASP 28 HA ASP 28 -1.311 -6.262 -7.392
219 1HB ASP 28 2HB ASP 28 -3.983 -5.363 -6.300
220 2HB ASP 28 1HB ASP 28 -2.815 -6.438 -5.539
221 H LEU 29 H LEU 29 -4.563 -5.512 -8.646
222 HA LEU 29 HA LEU 29 -5.345 -8.234 -8.982
223 1HB LEU 29 2HB LEU 29 -6.451 -5.700 -10.203
224 2HB LEU 29 1HB LEU 29 -7.206 -7.274 -10.341
225 HG LEU 29 HG LEU 29 -6.775 -5.744 -7.764
226 1HD1 LEU 29 1HD1 LEU 29 -8.511 -4.773 -9.205
227 2HD1 LEU 29 2HD1 LEU 29 -9.187 -5.476 -7.738
228 3HD1 LEU 29 3HD1 LEU 29 -9.326 -6.335 -9.272
229 1HD2 LEU 29 1HD2 LEU 29 -8.184 -8.378 -8.238
230 2HD2 LEU 29 2HD2 LEU 29 -8.101 -7.503 -6.708
231 3HD2 LEU 29 3HD2 LEU 29 -6.634 -8.167 -7.424
232 H ALA 30 H ALA 30 -3.368 -6.130 -10.859
233 HA ALA 30 HA ALA 30 -3.739 -7.374 -13.399
234 1HB ALA 30 1HB ALA 30 -2.775 -5.136 -13.181
235 2HB ALA 30 2HB ALA 30 -1.699 -6.216 -14.067
236 3HB ALA 30 3HB ALA 30 -1.359 -5.818 -12.383
237 H ASP 31 H ASP 31 -1.087 -7.730 -10.972
238 HA ASP 31 HA ASP 31 -0.005 -9.970 -12.454
239 1HB ASP 31 2HB ASP 31 1.670 -10.114 -10.644
240 2HB ASP 31 1HB ASP 31 1.539 -8.497 -11.324
241 H GLY 32 H GLY 32 -1.530 -9.690 -9.201
242 1HA GLY 32 2HA GLY 32 -3.208 -11.800 -9.283
243 2HA GLY 32 1HA GLY 32 -1.669 -12.597 -9.017
244 H PHE 33 H PHE 33 -0.623 -10.461 -7.264
245 HA PHE 33 HA PHE 33 -2.406 -10.775 -4.929
246 1HB PHE 33 2HB PHE 33 0.559 -11.368 -5.002
247 2HB PHE 33 1HB PHE 33 -0.340 -11.139 -3.512
248 HD1 PHE 33 HD2 PHE 33 -2.516 -12.645 -3.312
249 HD2 PHE 33 HD1 PHE 33 0.854 -13.527 -5.771
250 HE1 PHE 33 HE2 PHE 33 -3.122 -15.028 -3.283
251 HE2 PHE 33 HE1 PHE 33 0.249 -15.911 -5.741
252 HZ PHE 33 HZ PHE 33 -1.737 -16.663 -4.496
253 H ILE 34 H ILE 34 -2.018 -9.278 -3.182
254 HA ILE 34 HA ILE 34 -1.680 -6.624 -4.147
255 HB ILE 34 HB ILE 34 -2.017 -7.636 -1.317
256 1HG1 ILE 34 2HG1 ILE 34 -4.021 -6.512 -3.304
257 2HG1 ILE 34 1HG1 ILE 34 -3.884 -8.202 -2.829
258 1HG2 ILE 34 1HG2 ILE 34 -2.294 -4.827 -2.402
259 2HG2 ILE 34 2HG2 ILE 34 -1.020 -5.404 -1.326
260 3HG2 ILE 34 3HG2 ILE 34 -2.689 -5.337 -0.759
261 1HD1 ILE 34 1HD1 ILE 34 -4.518 -7.621 -0.554
262 2HD1 ILE 34 2HD1 ILE 34 -5.739 -7.102 -1.716
263 3HD1 ILE 34 3HD1 ILE 34 -4.632 -5.923 -1.015
264 H HIS 35 H HIS 35 0.175 -5.675 -4.519
265 HA HIS 35 HA HIS 35 2.647 -6.506 -3.281
266 1HB HIS 35 2HB HIS 35 2.005 -4.327 -5.283
267 2HB HIS 35 1HB HIS 35 3.631 -4.679 -4.708
268 HD1 HIS 35 HD1 HIS 35 3.935 -5.096 -7.388
269 HD2 HIS 35 HD2 HIS 35 1.775 -7.931 -5.266
270 HE1 HIS 35 HE1 HIS 35 3.928 -7.147 -8.826
271 HE2 HIS 35 HE2 HIS 35 2.371 -8.724 -7.643
272 H LEU 36 H LEU 36 3.443 -5.736 -1.461
273 HA LEU 36 HA LEU 36 2.707 -3.032 -0.544
274 1HB LEU 36 2HB LEU 36 3.823 -5.369 1.029
275 2HB LEU 36 1HB LEU 36 3.404 -3.799 1.696
276 HG LEU 36 HG LEU 36 1.432 -5.714 0.421
277 1HD1 LEU 36 1HD1 LEU 36 0.641 -6.192 2.641
278 2HD1 LEU 36 2HD1 LEU 36 1.810 -5.076 3.345
279 3HD1 LEU 36 3HD1 LEU 36 2.365 -6.553 2.555
280 1HD2 LEU 36 1HD2 LEU 36 0.726 -3.411 0.184
281 2HD2 LEU 36 2HD2 LEU 36 1.024 -3.108 1.895
282 3HD2 LEU 36 3HD2 LEU 36 -0.266 -4.209 1.405
283 H SER 37 H SER 37 4.214 -1.557 -1.032
284 HA SER 37 HA SER 37 6.852 -2.355 -1.873
285 1HB SER 37 2HB SER 37 5.658 0.416 -1.596
286 2HB SER 37 1HB SER 37 7.165 0.017 -2.420
287 HG SER 37 HG SER 37 6.070 -0.632 -4.095
288 H ALA 38 H ALA 38 8.292 -2.894 -0.353
289 HA ALA 38 HA ALA 38 8.308 -1.806 2.290
290 1HB ALA 38 1HB ALA 38 10.374 -3.512 0.907
291 2HB ALA 38 2HB ALA 38 8.993 -4.104 1.832
292 3HB ALA 38 3HB ALA 38 10.275 -3.203 2.641
293 H GLY 39 H GLY 39 8.753 0.353 2.397
294 1HA GLY 39 2HA GLY 39 10.003 2.284 2.451
295 2HA GLY 39 1HA GLY 39 11.317 1.189 2.822
296 H GLU 40 H GLU 40 12.845 0.721 1.268
297 HA GLU 40 HA GLU 40 13.559 2.658 -0.569
298 1HB GLU 40 2HB GLU 40 14.271 -0.275 -0.806
299 2HB GLU 40 1HB GLU 40 15.199 1.095 -1.404
300 1HG GLU 40 2HG GLU 40 15.640 1.818 0.886
301 2HG GLU 40 1HG GLU 40 14.676 0.481 1.507
302 H GLN 41 H GLN 41 11.780 -0.351 -1.149
303 HA GLN 41 HA GLN 41 11.551 -0.153 -3.956
304 1HB GLN 41 2HB GLN 41 11.107 -2.222 -2.692
305 2HB GLN 41 1HB GLN 41 9.686 -1.477 -1.973
306 1HG GLN 41 2HG GLN 41 8.728 -1.257 -4.265
307 2HG GLN 41 1HG GLN 41 10.102 -2.180 -4.872
308 1HE2 GLN 41 1HE2 GLN 41 10.173 -3.893 -2.475
309 2HE2 GLN 41 2HE2 GLN 41 8.844 -4.974 -2.649
310 H ALA 42 H ALA 42 9.602 1.146 -1.329
311 HA ALA 42 HA ALA 42 7.342 1.922 -2.807
312 1HB ALA 42 1HB ALA 42 6.834 3.408 -0.917
313 2HB ALA 42 2HB ALA 42 8.455 3.137 -0.276
314 3HB ALA 42 3HB ALA 42 7.312 1.798 -0.377
315 H GLN 43 H GLN 43 10.304 3.743 -1.996
316 HA GLN 43 HA GLN 43 9.489 6.123 -3.312
317 1HB GLN 43 2HB GLN 43 11.259 6.191 -1.655
318 2HB GLN 43 1HB GLN 43 12.268 5.135 -2.634
319 1HG GLN 43 2HG GLN 43 12.615 6.811 -4.268
320 2HG GLN 43 1HG GLN 43 11.332 7.822 -3.611
321 1HE2 GLN 43 1HE2 GLN 43 11.740 9.088 -1.827
322 2HE2 GLN 43 2HE2 GLN 43 13.334 9.356 -1.215
323 H GLU 44 H GLU 44 11.285 3.271 -4.434
324 HA GLU 44 HA GLU 44 11.943 4.218 -7.001
325 1HB GLU 44 2HB GLU 44 12.906 2.154 -6.117
326 2HB GLU 44 1HB GLU 44 11.322 1.391 -6.099
327 1HG GLU 44 2HG GLU 44 11.227 1.576 -8.556
328 2HG GLU 44 1HG GLU 44 12.843 2.279 -8.550
329 H THR 45 H THR 45 9.164 2.145 -6.058
330 HA THR 45 HA THR 45 7.769 2.283 -8.479
331 HB THR 45 HB THR 45 6.583 2.055 -5.696
332 HG1 THR 45 HG1 THR 45 7.049 -0.083 -7.499
333 1HG2 THR 45 1HG2 THR 45 4.883 2.641 -7.368
334 2HG2 THR 45 2HG2 THR 45 4.675 0.978 -6.820
335 3HG2 THR 45 3HG2 THR 45 5.415 1.303 -8.388
336 H ALA 46 H ALA 46 7.733 4.498 -5.720
337 HA ALA 46 HA ALA 46 5.606 6.132 -6.641
338 1HB ALA 46 1HB ALA 46 6.298 7.702 -4.933
339 2HB ALA 46 2HB ALA 46 7.843 6.869 -4.757
340 3HB ALA 46 3HB ALA 46 6.348 6.056 -4.297
341 H ALA 47 H ALA 47 9.127 6.310 -7.082
342 HA ALA 47 HA ALA 47 9.074 8.857 -8.403
343 1HB ALA 47 1HB ALA 47 11.055 8.081 -7.201
344 2HB ALA 47 2HB ALA 47 11.431 8.435 -8.886
345 3HB ALA 47 3HB ALA 47 11.249 6.762 -8.355
346 H LYS 48 H LYS 48 8.522 5.619 -9.420
347 HA LYS 48 HA LYS 48 8.925 6.236 -12.249
348 1HB LYS 48 2HB LYS 48 9.666 4.055 -11.423
349 2HB LYS 48 1HB LYS 48 8.037 3.692 -10.866
350 1HG LYS 48 2HG LYS 48 7.240 3.748 -13.191
351 2HG LYS 48 1HG LYS 48 8.887 4.082 -13.737
352 1HD LYS 48 2HD LYS 48 9.625 1.939 -12.778
353 2HD LYS 48 1HD LYS 48 7.970 1.607 -12.258
354 1HE LYS 48 2HE LYS 48 8.488 0.427 -14.332
355 2HE LYS 48 1HE LYS 48 7.231 1.634 -14.595
356 1HZ LYS 48 1HZ LYS 48 8.867 3.112 -15.540
357 2HZ LYS 48 2HZ LYS 48 8.910 1.630 -16.352
358 3HZ LYS 48 3HZ LYS 48 10.109 2.006 -15.224
359 H TRP 49 H TRP 49 6.258 4.984 -10.228
360 HA TRP 49 HA TRP 49 4.341 5.434 -12.353
361 1HB TRP 49 2HB TRP 49 3.965 4.344 -9.558
362 2HB TRP 49 1HB TRP 49 2.735 4.364 -10.816
363 HD1 TRP 49 HD1 TRP 49 6.111 2.681 -9.993
364 HE1 TRP 49 HE1 TRP 49 6.240 0.454 -11.271
365 HE3 TRP 49 HE3 TRP 49 1.841 3.104 -12.777
366 HZ2 TRP 49 HZ2 TRP 49 4.737 -0.934 -13.213
367 HZ3 TRP 49 HZ3 TRP 49 1.259 1.280 -14.324
368 HH2 TRP 49 HH2 TRP 49 2.679 -0.699 -14.537
369 H PHE 50 H PHE 50 4.681 6.545 -8.964
370 HA PHE 50 HA PHE 50 2.414 8.360 -9.334
371 1HB PHE 50 2HB PHE 50 3.963 7.696 -6.814
372 2HB PHE 50 1HB PHE 50 2.444 8.583 -6.901
373 HD1 PHE 50 HD1 PHE 50 0.376 7.386 -7.706
374 HD2 PHE 50 HD2 PHE 50 3.993 5.335 -6.755
375 HE1 PHE 50 HE1 PHE 50 -0.868 5.273 -7.537
376 HE2 PHE 50 HE2 PHE 50 2.748 3.223 -6.584
377 HZ PHE 50 HZ PHE 50 0.317 3.188 -6.980
378 H ARG 51 H ARG 51 5.294 8.823 -10.326
379 HA ARG 51 HA ARG 51 6.411 10.966 -8.871
380 1HB ARG 51 2HB ARG 51 7.680 9.583 -10.454
381 2HB ARG 51 1HB ARG 51 6.740 10.221 -11.789
382 1HG ARG 51 2HG ARG 51 8.335 12.071 -10.053
383 2HG ARG 51 1HG ARG 51 9.123 11.137 -11.323
384 1HD ARG 51 2HD ARG 51 6.942 13.202 -11.621
385 2HD ARG 51 1HD ARG 51 8.589 13.262 -12.253
386 HE ARG 51 HE ARG 51 6.334 11.786 -13.349
387 1HH1 ARG 51 1HH1 ARG 51 9.727 12.409 -13.453
388 2HH1 ARG 51 2HH1 ARG 51 9.925 11.674 -15.004
389 1HH2 ARG 51 1HH2 ARG 51 6.593 10.865 -15.341
390 2HH2 ARG 51 2HH2 ARG 51 8.166 10.803 -16.065
391 H GLY 52 H GLY 52 5.478 12.882 -8.536
392 1HA GLY 52 2HA GLY 52 4.573 14.947 -8.976
393 2HA GLY 52 1HA GLY 52 4.850 14.633 -10.679
394 H GLN 53 H GLN 53 2.819 12.468 -8.826
395 HA GLN 53 HA GLN 53 0.483 13.441 -10.326
396 1HB GLN 53 2HB GLN 53 0.903 10.840 -8.832
397 2HB GLN 53 1HB GLN 53 -0.575 11.287 -9.674
398 1HG GLN 53 2HG GLN 53 0.771 11.455 -11.779
399 2HG GLN 53 1HG GLN 53 2.137 10.789 -10.888
400 1HE2 GLN 53 1HE2 GLN 53 0.397 9.009 -9.312
401 2HE2 GLN 53 2HE2 GLN 53 -0.051 7.734 -10.383
402 H ALA 54 H ALA 54 -1.644 13.399 -9.183
403 HA ALA 54 HA ALA 54 -1.350 14.503 -6.455
404 1HB ALA 54 1HB ALA 54 -3.396 15.763 -6.882
405 2HB ALA 54 2HB ALA 54 -3.531 15.026 -8.478
406 3HB ALA 54 3HB ALA 54 -2.181 16.100 -8.115
407 H ASN 55 H ASN 55 -3.514 14.338 -5.173
408 HA ASN 55 HA ASN 55 -4.996 13.060 -4.018
409 1HB ASN 55 2HB ASN 55 -5.268 11.602 -6.660
410 2HB ASN 55 1HB ASN 55 -6.320 11.349 -5.272
411 1HD2 ASN 55 1HD2 ASN 55 -5.476 13.460 -7.870
412 2HD2 ASN 55 2HD2 ASN 55 -6.809 14.544 -7.686
413 H LEU 56 H LEU 56 -2.138 12.298 -4.070
414 HA LEU 56 HA LEU 56 -2.134 9.388 -4.028
415 1HB LEU 56 2HB LEU 56 0.113 11.348 -3.546
416 2HB LEU 56 1HB LEU 56 0.291 9.609 -3.706
417 HG LEU 56 HG LEU 56 -0.633 11.509 -5.872
418 1HD1 LEU 56 1HD1 LEU 56 1.471 10.893 -6.977
419 2HD1 LEU 56 2HD1 LEU 56 1.929 9.937 -5.567
420 3HD1 LEU 56 3HD1 LEU 56 1.751 11.687 -5.428
421 1HD2 LEU 56 1HD2 LEU 56 -0.217 8.517 -5.968
422 2HD2 LEU 56 2HD2 LEU 56 -0.571 9.551 -7.351
423 3HD2 LEU 56 3HD2 LEU 56 -1.765 9.358 -6.070
424 H VAL 57 H VAL 57 -2.859 8.411 -2.238
425 HA VAL 57 HA VAL 57 -2.158 9.482 0.411
426 HB VAL 57 HB VAL 57 -3.995 7.161 -0.260
427 1HG1 VAL 57 1HG1 VAL 57 -4.760 7.387 2.077
428 2HG1 VAL 57 2HG1 VAL 57 -3.541 8.632 2.350
429 3HG1 VAL 57 3HG1 VAL 57 -3.047 6.980 1.987
430 1HG2 VAL 57 1HG2 VAL 57 -5.838 8.693 0.243
431 2HG2 VAL 57 2HG2 VAL 57 -4.878 9.285 -1.113
432 3HG2 VAL 57 3HG2 VAL 57 -4.690 10.010 0.485
433 H LEU 58 H LEU 58 -0.768 8.463 1.761
434 HA LEU 58 HA LEU 58 0.700 6.158 0.688
435 1HB LEU 58 2HB LEU 58 2.073 8.102 1.080
436 2HB LEU 58 1HB LEU 58 1.465 8.272 2.713
437 HG LEU 58 HG LEU 58 2.889 5.729 2.057
438 1HD1 LEU 58 1HD1 LEU 58 4.323 7.379 0.985
439 2HD1 LEU 58 2HD1 LEU 58 5.080 6.766 2.455
440 3HD1 LEU 58 3HD1 LEU 58 4.322 8.359 2.451
441 1HD2 LEU 58 1HD2 LEU 58 3.729 6.031 4.354
442 2HD2 LEU 58 2HD2 LEU 58 1.970 6.078 4.289
443 3HD2 LEU 58 3HD2 LEU 58 2.884 7.577 4.453
444 H LEU 59 H LEU 59 -0.205 4.314 1.411
445 HA LEU 59 HA LEU 59 -1.260 4.114 4.106
446 1HB LEU 59 2HB LEU 59 -0.940 1.941 2.026
447 2HB LEU 59 1HB LEU 59 -1.892 1.847 3.497
448 HG LEU 59 HG LEU 59 -2.452 3.603 1.101
449 1HD1 LEU 59 1HD1 LEU 59 -3.946 1.239 2.239
450 2HD1 LEU 59 2HD1 LEU 59 -3.012 1.263 0.743
451 3HD1 LEU 59 3HD1 LEU 59 -4.474 2.238 0.883
452 1HD2 LEU 59 1HD2 LEU 59 -3.980 3.385 3.700
453 2HD2 LEU 59 2HD2 LEU 59 -4.481 4.300 2.277
454 3HD2 LEU 59 3HD2 LEU 59 -3.036 4.776 3.166
455 H ALA 60 H ALA 60 0.180 3.983 5.702
456 HA ALA 60 HA ALA 60 2.608 2.355 5.348
457 1HB ALA 60 1HB ALA 60 1.959 4.440 7.436
458 2HB ALA 60 2HB ALA 60 3.006 4.655 6.034
459 3HB ALA 60 3HB ALA 60 3.474 3.544 7.321
460 H VAL 61 H VAL 61 2.550 0.348 6.151
461 HA VAL 61 HA VAL 61 0.802 -0.179 8.477
462 HB VAL 61 HB VAL 61 1.577 -2.136 6.296
463 1HG1 VAL 61 1HG1 VAL 61 -0.098 -3.615 7.344
464 2HG1 VAL 61 2HG1 VAL 61 -0.314 -2.436 8.637
465 3HG1 VAL 61 3HG1 VAL 61 1.240 -3.246 8.433
466 1HG2 VAL 61 1HG2 VAL 61 0.037 -0.486 5.412
467 2HG2 VAL 61 2HG2 VAL 61 -1.042 -0.706 6.790
468 3HG2 VAL 61 3HG2 VAL 61 -0.810 -2.018 5.637
469 H GLU 62 H GLU 62 2.024 -0.398 10.268
470 HA GLU 62 HA GLU 62 4.642 -1.512 10.303
471 1HB GLU 62 2HB GLU 62 2.581 -1.093 12.484
472 2HB GLU 62 1HB GLU 62 4.153 -1.813 12.803
473 1HG GLU 62 2HG GLU 62 4.539 0.379 13.352
474 2HG GLU 62 1HG GLU 62 5.087 0.341 11.681
475 H ALA 63 H ALA 63 4.828 -3.454 9.361
476 HA ALA 63 HA ALA 63 2.954 -5.327 8.826
477 1HB ALA 63 1HB ALA 63 5.851 -5.946 9.396
478 2HB ALA 63 2HB ALA 63 5.216 -5.300 7.882
479 3HB ALA 63 3HB ALA 63 4.742 -6.912 8.419
480 H GLU 64 H GLU 64 5.271 -5.861 11.520
481 HA GLU 64 HA GLU 64 5.188 -7.200 13.358
482 1HB GLU 64 2HB GLU 64 2.189 -6.920 13.015
483 2HB GLU 64 1HB GLU 64 2.975 -7.602 14.430
484 1HG GLU 64 2HG GLU 64 3.360 -4.775 13.458
485 2HG GLU 64 1HG GLU 64 2.221 -5.258 14.712
486 HA PRO 65 HA PRO 65 4.763 -11.386 11.835
487 1HB PRO 65 2HB PRO 65 4.586 -12.837 14.113
488 2HB PRO 65 1HB PRO 65 6.078 -12.021 13.630
489 1HG PRO 65 2HG PRO 65 3.982 -11.122 15.585
490 2HG PRO 65 1HG PRO 65 5.747 -11.115 15.761
491 1HD PRO 65 2HD PRO 65 4.350 -8.893 15.081
492 2HD PRO 65 1HD PRO 65 5.995 -9.198 14.484
493 H LEU 66 H LEU 66 2.394 -10.230 11.347
494 HA LEU 66 HA LEU 66 0.193 -11.209 12.830
495 1HB LEU 66 2HB LEU 66 -1.141 -10.467 10.774
496 2HB LEU 66 1HB LEU 66 -0.263 -9.260 11.687
497 HG LEU 66 HG LEU 66 1.569 -9.416 9.931
498 1HD1 LEU 66 1HD1 LEU 66 1.005 -11.549 8.931
499 2HD1 LEU 66 2HD1 LEU 66 0.933 -10.268 7.723
500 3HD1 LEU 66 3HD1 LEU 66 -0.557 -10.919 8.409
501 1HD2 LEU 66 1HD2 LEU 66 0.368 -7.981 8.344
502 2HD2 LEU 66 2HD2 LEU 66 0.010 -7.554 10.016
503 3HD2 LEU 66 3HD2 LEU 66 -1.166 -8.467 9.069
504 H GLY 67 H GLY 67 1.941 -12.622 10.141
505 1HA GLY 67 2HA GLY 67 0.873 -15.179 10.535
506 2HA GLY 67 1HA GLY 67 -0.073 -14.417 9.269
507 H GLU 68 H GLU 68 1.585 -16.772 9.075
508 HA GLU 68 HA GLU 68 4.040 -16.298 7.791
509 1HB GLU 68 2HB GLU 68 3.880 -18.595 7.074
510 2HB GLU 68 1HB GLU 68 3.276 -18.477 8.716
511 1HG GLU 68 2HG GLU 68 0.965 -18.442 7.812
512 2HG GLU 68 1HG GLU 68 1.627 -18.695 6.199
513 H ASP 69 H ASP 69 0.777 -16.062 6.683
514 HA ASP 69 HA ASP 69 1.182 -16.311 3.898
515 1HB ASP 69 2HB ASP 69 -1.031 -14.983 3.814
516 2HB ASP 69 1HB ASP 69 -1.032 -16.556 4.605
517 H LEU 70 H LEU 70 2.112 -13.826 6.026
518 HA LEU 70 HA LEU 70 2.597 -11.971 3.798
519 1HB LEU 70 2HB LEU 70 1.806 -10.972 5.884
520 2HB LEU 70 1HB LEU 70 3.136 -11.704 6.765
521 HG LEU 70 HG LEU 70 4.719 -10.326 5.367
522 1HD1 LEU 70 1HD1 LEU 70 3.267 -9.885 3.475
523 2HD1 LEU 70 2HD1 LEU 70 3.830 -8.376 4.193
524 3HD1 LEU 70 3HD1 LEU 70 2.185 -8.938 4.498
525 1HD2 LEU 70 1HD2 LEU 70 4.314 -8.237 6.599
526 2HD2 LEU 70 2HD2 LEU 70 4.172 -9.661 7.627
527 3HD2 LEU 70 3HD2 LEU 70 2.718 -8.833 7.067
528 H LYS 71 H LYS 71 4.282 -12.739 2.591
529 HA LYS 71 HA LYS 71 6.710 -13.607 4.045
530 1HB LYS 71 2HB LYS 71 5.577 -15.411 2.744
531 2HB LYS 71 1HB LYS 71 5.855 -14.481 1.275
532 1HG LYS 71 2HG LYS 71 8.320 -14.580 1.803
533 2HG LYS 71 1HG LYS 71 7.921 -15.717 3.091
534 1HD LYS 71 2HD LYS 71 8.600 -16.963 1.146
535 2HD LYS 71 1HD LYS 71 6.867 -17.196 1.383
536 1HE LYS 71 2HE LYS 71 6.357 -15.627 -0.368
537 2HE LYS 71 1HE LYS 71 8.055 -15.176 -0.519
538 1HZ LYS 71 1HZ LYS 71 8.520 -17.464 -1.230
539 2HZ LYS 71 2HZ LYS 71 7.451 -16.671 -2.270
540 3HZ LYS 71 3HZ LYS 71 6.867 -17.818 -1.175
541 H TRP 72 H TRP 72 8.560 -12.544 3.689
542 HA TRP 72 HA TRP 72 8.733 -10.384 1.814
543 1HB TRP 72 2HB TRP 72 10.812 -11.732 3.549
544 2HB TRP 72 1HB TRP 72 11.156 -10.341 2.523
545 HD1 TRP 72 HD1 TRP 72 9.239 -11.302 5.715
546 HE1 TRP 72 HE1 TRP 72 8.714 -9.151 7.024
547 HE3 TRP 72 HE3 TRP 72 10.785 -7.866 2.267
548 HZ2 TRP 72 HZ2 TRP 72 8.914 -6.360 6.636
549 HZ3 TRP 72 HZ3 TRP 72 10.580 -5.477 2.803
550 HH2 TRP 72 HH2 TRP 72 9.663 -4.738 4.944
551 H GLU 73 H GLU 73 8.424 -11.139 -0.227
552 HA GLU 73 HA GLU 73 9.703 -13.518 -1.217
553 1HB GLU 73 2HB GLU 73 7.427 -12.893 -1.908
554 2HB GLU 73 1HB GLU 73 8.046 -11.423 -2.646
555 1HG GLU 73 2HG GLU 73 7.625 -13.036 -4.362
556 2HG GLU 73 1HG GLU 73 9.367 -12.812 -4.215
557 H ALA 74 H ALA 74 11.355 -13.704 -2.666
558 HA ALA 74 HA ALA 74 12.724 -11.222 -3.521
559 1HB ALA 74 1HB ALA 74 13.931 -13.960 -3.069
560 2HB ALA 74 2HB ALA 74 14.092 -12.566 -1.999
561 3HB ALA 74 3HB ALA 74 14.798 -12.523 -3.614
562 H SER 75 H SER 75 11.630 -10.936 -5.448
563 HA SER 75 HA SER 75 11.081 -13.027 -7.301
564 1HB SER 75 2HB SER 75 11.124 -10.027 -7.737
565 2HB SER 75 1HB SER 75 10.428 -11.210 -8.845
566 HG SER 75 HG SER 75 9.067 -11.839 -6.991
567 H ARG 76 H ARG 76 11.834 -12.905 -9.634
568 HA ARG 76 HA ARG 76 14.581 -13.385 -9.805
569 1HB ARG 76 2HB ARG 76 12.901 -14.262 -11.393
570 2HB ARG 76 1HB ARG 76 12.683 -12.647 -12.047
571 1HG ARG 76 2HG ARG 76 14.093 -14.064 -13.473
572 2HG ARG 76 1HG ARG 76 14.951 -12.636 -12.894
573 1HD ARG 76 2HD ARG 76 16.241 -14.824 -12.846
574 2HD ARG 76 1HD ARG 76 16.217 -13.896 -11.347
575 HE ARG 76 HE ARG 76 14.669 -15.473 -10.445
576 1HH1 ARG 76 1HH1 ARG 76 16.034 -16.440 -13.469
577 2HH1 ARG 76 2HH1 ARG 76 15.691 -18.115 -13.194
578 1HH2 ARG 76 1HH2 ARG 76 14.222 -17.603 -10.130
579 2HH2 ARG 76 2HH2 ARG 76 14.663 -18.763 -11.337
580 H GLY 77 H GLY 77 15.887 -11.761 -9.074
581 1HA GLY 77 2HA GLY 77 17.053 -9.892 -10.588
582 2HA GLY 77 1HA GLY 77 15.612 -9.031 -10.067
583 H GLY 78 H GLY 78 15.246 -8.972 -7.663
584 1HA GLY 78 2HA GLY 78 17.093 -9.582 -5.705
585 2HA GLY 78 1HA GLY 78 17.610 -8.030 -6.344
586 H ALA 79 H ALA 79 17.223 -7.169 -4.217
587 HA ALA 79 HA ALA 79 16.065 -5.969 -2.684
588 1HB ALA 79 1HB ALA 79 13.855 -5.941 -4.740
589 2HB ALA 79 2HB ALA 79 15.215 -4.819 -4.688
590 3HB ALA 79 3HB ALA 79 14.038 -4.838 -3.375
591 H ARG 80 H ARG 80 13.586 -5.852 -1.718
592 HA ARG 80 HA ARG 80 12.746 -8.628 -1.172
593 1HB ARG 80 2HB ARG 80 13.071 -6.344 0.785
594 2HB ARG 80 1HB ARG 80 12.200 -7.823 1.165
595 1HG ARG 80 2HG ARG 80 14.193 -9.138 0.920
596 2HG ARG 80 1HG ARG 80 15.098 -7.745 0.329
597 1HD ARG 80 2HD ARG 80 14.852 -6.645 2.493
598 2HD ARG 80 1HD ARG 80 13.873 -7.986 3.083
599 HE ARG 80 HE ARG 80 15.849 -9.379 2.973
600 1HH1 ARG 80 1HH1 ARG 80 16.397 -5.988 2.672
601 2HH1 ARG 80 2HH1 ARG 80 18.024 -6.093 3.251
602 1HH2 ARG 80 1HH2 ARG 80 17.954 -9.488 3.720
603 2HH2 ARG 80 2HH2 ARG 80 18.884 -8.033 3.834
604 H PHE 81 H PHE 81 10.631 -9.006 -1.474
605 HA PHE 81 HA PHE 81 8.791 -6.703 -1.720
606 1HB PHE 81 2HB PHE 81 8.612 -9.295 -3.281
607 2HB PHE 81 1HB PHE 81 7.626 -7.855 -3.504
608 HD1 PHE 81 HD1 PHE 81 8.576 -5.854 -4.579
609 HD2 PHE 81 HD2 PHE 81 10.814 -9.462 -4.216
610 HE1 PHE 81 HE1 PHE 81 10.153 -5.046 -6.284
611 HE2 PHE 81 HE2 PHE 81 12.397 -8.652 -5.915
612 HZ PHE 81 HZ PHE 81 12.066 -6.443 -6.950
613 HA PRO 82 HA PRO 82 6.932 -9.312 1.589
614 1HB PRO 82 2HB PRO 82 5.497 -7.272 2.718
615 2HB PRO 82 1HB PRO 82 7.183 -7.617 3.116
616 1HG PRO 82 2HG PRO 82 6.061 -5.555 1.258
617 2HG PRO 82 1HG PRO 82 7.392 -5.410 2.421
618 1HD PRO 82 2HD PRO 82 7.811 -5.751 -0.239
619 2HD PRO 82 1HD PRO 82 8.918 -6.394 0.992
620 H HIS 83 H HIS 83 5.531 -10.566 0.423
621 HA HIS 83 HA HIS 83 3.164 -9.303 -0.780
622 1HB HIS 83 2HB HIS 83 4.340 -12.065 -1.172
623 2HB HIS 83 1HB HIS 83 2.852 -11.503 -1.928
624 HD1 HIS 83 HD1 HIS 83 5.170 -12.395 -3.697
625 HD2 HIS 83 HD2 HIS 83 4.590 -8.464 -2.480
626 HE1 HIS 83 HE1 HIS 83 6.360 -10.984 -5.395
627 HE2 HIS 83 HE2 HIS 83 5.911 -8.613 -4.697
628 H LEU 84 H LEU 84 1.411 -9.242 0.462
629 HA LEU 84 HA LEU 84 0.912 -11.360 2.428
630 1HB LEU 84 2HB LEU 84 0.728 -8.993 3.128
631 2HB LEU 84 1HB LEU 84 -0.544 -8.747 1.948
632 HG LEU 84 HG LEU 84 -2.030 -10.238 3.166
633 1HD1 LEU 84 1HD1 LEU 84 0.275 -10.633 5.078
634 2HD1 LEU 84 2HD1 LEU 84 -0.383 -11.844 3.977
635 3HD1 LEU 84 3HD1 LEU 84 -1.370 -11.232 5.304
636 1HD2 LEU 84 1HD2 LEU 84 -1.951 -7.883 3.843
637 2HD2 LEU 84 2HD2 LEU 84 -0.689 -8.259 5.017
638 3HD2 LEU 84 3HD2 LEU 84 -2.307 -8.932 5.215
639 H TYR 85 H TYR 85 -0.113 -13.095 1.635
640 HA TYR 85 HA TYR 85 -1.680 -12.935 -0.795
641 1HB TYR 85 2HB TYR 85 -1.213 -15.337 0.996
642 2HB TYR 85 1HB TYR 85 -1.727 -15.355 -0.688
643 HD1 TYR 85 HD1 TYR 85 -0.020 -14.028 -2.308
644 HD2 TYR 85 HD2 TYR 85 1.018 -15.829 1.409
645 HE1 TYR 85 HE1 TYR 85 2.326 -14.156 -3.029
646 HE2 TYR 85 HE2 TYR 85 3.364 -15.966 0.691
647 HH TYR 85 HH TYR 85 4.633 -16.038 -1.441
648 H ARG 86 H ARG 86 -3.146 -11.389 0.732
649 HA ARG 86 HA ARG 86 -5.444 -12.997 1.636
650 1HB ARG 86 2HB ARG 86 -4.063 -10.856 3.273
651 2HB ARG 86 1HB ARG 86 -5.645 -11.513 3.660
652 1HG ARG 86 2HG ARG 86 -3.085 -13.099 3.544
653 2HG ARG 86 1HG ARG 86 -3.845 -12.486 5.012
654 1HD ARG 86 2HD ARG 86 -5.908 -13.809 4.318
655 2HD ARG 86 1HD ARG 86 -4.876 -14.588 3.117
656 HE ARG 86 HE ARG 86 -3.785 -14.681 5.765
657 1HH1 ARG 86 1HH1 ARG 86 -5.876 -16.248 3.526
658 2HH1 ARG 86 2HH1 ARG 86 -5.879 -17.740 4.402
659 1HH2 ARG 86 1HH2 ARG 86 -3.784 -16.591 6.877
660 2HH2 ARG 86 2HH2 ARG 86 -4.714 -17.928 6.293
661 HA PRO 87 HA PRO 87 -7.744 -9.272 0.274
662 1HB PRO 87 2HB PRO 87 -10.106 -9.720 1.494
663 2HB PRO 87 1HB PRO 87 -9.601 -10.654 0.081
664 1HG PRO 87 2HG PRO 87 -9.542 -11.410 2.975
665 2HG PRO 87 1HG PRO 87 -9.973 -12.397 1.566
666 1HD PRO 87 2HD PRO 87 -7.512 -12.456 2.835
667 2HD PRO 87 1HD PRO 87 -7.788 -12.958 1.155
668 H LEU 88 H LEU 88 -6.865 -7.479 1.282
669 HA LEU 88 HA LEU 88 -6.445 -7.463 4.129
670 1HB LEU 88 2HB LEU 88 -5.750 -5.583 1.899
671 2HB LEU 88 1HB LEU 88 -5.561 -5.083 3.567
672 HG LEU 88 HG LEU 88 -3.992 -6.935 3.961
673 1HD1 LEU 88 1HD1 LEU 88 -3.115 -8.232 2.079
674 2HD1 LEU 88 2HD1 LEU 88 -4.329 -7.513 1.022
675 3HD1 LEU 88 3HD1 LEU 88 -4.826 -8.549 2.359
676 1HD2 LEU 88 1HD2 LEU 88 -2.129 -6.044 2.668
677 2HD2 LEU 88 2HD2 LEU 88 -3.153 -4.742 3.275
678 3HD2 LEU 88 3HD2 LEU 88 -3.256 -5.227 1.581
679 H LEU 89 H LEU 89 -7.740 -6.687 5.650
680 HA LEU 89 HA LEU 89 -10.223 -5.389 5.049
681 1HB LEU 89 2HB LEU 89 -8.867 -5.583 7.739
682 2HB LEU 89 1HB LEU 89 -10.581 -5.380 7.426
683 HG LEU 89 HG LEU 89 -8.936 -7.866 6.919
684 1HD1 LEU 89 1HD1 LEU 89 -10.370 -8.883 8.608
685 2HD1 LEU 89 2HD1 LEU 89 -11.218 -7.353 8.831
686 3HD1 LEU 89 3HD1 LEU 89 -9.514 -7.490 9.269
687 1HD2 LEU 89 1HD2 LEU 89 -11.846 -7.340 6.303
688 2HD2 LEU 89 2HD2 LEU 89 -11.052 -8.913 6.216
689 3HD2 LEU 89 3HD2 LEU 89 -10.554 -7.615 5.131
690 H VAL 90 H VAL 90 -10.288 -3.219 4.428
691 HA VAL 90 HA VAL 90 -9.562 -1.052 4.096
692 HB VAL 90 HB VAL 90 -8.922 -1.246 7.043
693 1HG1 VAL 90 1HG1 VAL 90 -8.040 0.806 6.024
694 2HG1 VAL 90 2HG1 VAL 90 -9.386 1.170 7.102
695 3HG1 VAL 90 3HG1 VAL 90 -9.633 1.165 5.356
696 1HG2 VAL 90 1HG2 VAL 90 -11.193 -2.020 6.561
697 2HG2 VAL 90 2HG2 VAL 90 -11.525 -0.519 5.698
698 3HG2 VAL 90 3HG2 VAL 90 -11.212 -0.488 7.435
699 H SER 91 H SER 91 -7.767 -2.993 3.344
700 HA SER 91 HA SER 91 -5.608 -3.494 2.875
701 1HB SER 91 2HB SER 91 -5.234 -0.530 3.389
702 2HB SER 91 1HB SER 91 -4.029 -1.574 2.636
703 HG SER 91 HG SER 91 -6.049 -0.322 1.475
704 H GLU 92 H GLU 92 -6.553 -3.568 5.738
705 HA GLU 92 HA GLU 92 -5.839 -3.610 7.896
706 1HB GLU 92 2HB GLU 92 -3.479 -4.883 6.487
707 2HB GLU 92 1HB GLU 92 -3.784 -4.993 8.218
708 1HG GLU 92 2HG GLU 92 -6.003 -6.023 7.691
709 2HG GLU 92 1HG GLU 92 -5.521 -6.059 5.999
710 H VAL 93 H VAL 93 -5.477 -1.159 6.712
711 HA VAL 93 HA VAL 93 -2.894 -0.055 7.002
712 HB VAL 93 HB VAL 93 -5.651 1.083 6.558
713 1HG1 VAL 93 1HG1 VAL 93 -3.126 2.716 7.017
714 2HG1 VAL 93 2HG1 VAL 93 -4.589 2.745 8.002
715 3HG1 VAL 93 3HG1 VAL 93 -4.631 3.348 6.346
716 1HG2 VAL 93 1HG2 VAL 93 -4.632 1.809 4.448
717 2HG2 VAL 93 2HG2 VAL 93 -4.467 0.071 4.688
718 3HG2 VAL 93 3HG2 VAL 93 -3.083 1.131 4.954
719 H THR 94 H THR 94 -1.956 -0.176 8.965
720 HA THR 94 HA THR 94 -3.202 0.605 11.427
721 HB THR 94 HB THR 94 -0.242 0.422 10.764
722 HG1 THR 94 HG1 THR 94 -1.163 -1.583 12.315
723 1HG2 THR 94 1HG2 THR 94 -1.655 0.434 13.440
724 2HG2 THR 94 2HG2 THR 94 -0.658 1.735 12.787
725 3HG2 THR 94 3HG2 THR 94 0.073 0.182 13.189
726 H ARG 95 H ARG 95 -0.854 2.164 9.241
727 HA ARG 95 HA ARG 95 -1.509 4.771 10.475
728 1HB ARG 95 2HB ARG 95 0.862 3.885 10.676
729 2HB ARG 95 1HB ARG 95 0.992 4.090 8.940
730 1HG ARG 95 2HG ARG 95 0.514 6.513 9.245
731 2HG ARG 95 1HG ARG 95 0.557 6.251 10.991
732 1HD ARG 95 2HD ARG 95 2.804 5.914 9.007
733 2HD ARG 95 1HD ARG 95 2.710 7.046 10.355
734 HE ARG 95 HE ARG 95 2.642 4.237 11.074
735 1HH1 ARG 95 1HH1 ARG 95 4.582 7.068 10.682
736 2HH1 ARG 95 2HH1 ARG 95 5.892 6.418 11.607
737 1HH2 ARG 95 1HH2 ARG 95 4.315 3.436 12.241
738 2HH2 ARG 95 2HH2 ARG 95 5.745 4.388 12.471
739 H GLU 96 H GLU 96 -2.069 6.445 9.179
740 HA GLU 96 HA GLU 96 -2.282 5.998 6.265
741 1HB GLU 96 2HB GLU 96 -4.463 5.505 7.342
742 2HB GLU 96 1HB GLU 96 -4.463 7.106 8.058
743 1HG GLU 96 2HG GLU 96 -4.477 8.067 5.760
744 2HG GLU 96 1HG GLU 96 -4.667 6.429 5.134
745 H ALA 97 H ALA 97 -1.408 7.689 5.140
746 HA ALA 97 HA ALA 97 -1.504 10.383 6.282
747 1HB ALA 97 1HB ALA 97 1.112 9.041 5.585
748 2HB ALA 97 2HB ALA 97 0.547 9.423 7.212
749 3HB ALA 97 3HB ALA 97 0.909 10.724 6.076
750 H ASP 98 H ASP 98 -1.354 12.025 4.784
751 HA ASP 98 HA ASP 98 -1.665 11.362 2.006
752 1HB ASP 98 2HB ASP 98 -1.289 14.058 3.347
753 2HB ASP 98 1HB ASP 98 -1.816 13.799 1.685
754 H LEU 99 H LEU 99 -0.143 11.409 0.395
755 HA LEU 99 HA LEU 99 2.546 11.039 1.161
756 1HB LEU 99 2HB LEU 99 1.531 9.939 -0.775
757 2HB LEU 99 1HB LEU 99 1.393 11.485 -1.592
758 HG LEU 99 HG LEU 99 3.863 11.677 -1.632
759 1HD1 LEU 99 1HD1 LEU 99 5.246 9.738 -1.055
760 2HD1 LEU 99 2HD1 LEU 99 3.819 8.894 -0.454
761 3HD1 LEU 99 3HD1 LEU 99 4.386 10.356 0.354
762 1HD2 LEU 99 1HD2 LEU 99 2.791 9.112 -2.816
763 2HD2 LEU 99 2HD2 LEU 99 4.267 9.940 -3.312
764 3HD2 LEU 99 3HD2 LEU 99 2.702 10.715 -3.548
765 H ASP 100 H ASP 100 4.208 12.392 1.383
766 HA ASP 100 HA ASP 100 3.840 15.220 0.773
767 1HB ASP 100 2HB ASP 100 6.119 13.853 2.223
768 2HB ASP 100 1HB ASP 100 5.814 15.586 2.151
769 H LEU 101 H LEU 101 4.389 15.874 -1.214
770 HA LEU 101 HA LEU 101 6.687 14.691 -2.607
771 1HB LEU 101 2HB LEU 101 4.733 16.800 -3.564
772 2HB LEU 101 1HB LEU 101 5.926 15.971 -4.545
773 HG LEU 101 HG LEU 101 3.531 14.665 -3.232
774 1HD1 LEU 101 1HD1 LEU 101 2.879 16.121 -5.074
775 2HD1 LEU 101 2HD1 LEU 101 2.675 14.425 -5.512
776 3HD1 LEU 101 3HD1 LEU 101 4.054 15.336 -6.129
777 1HD2 LEU 101 1HD2 LEU 101 5.405 13.124 -3.408
778 2HD2 LEU 101 2HD2 LEU 101 5.608 13.535 -5.112
779 3HD2 LEU 101 3HD2 LEU 101 4.150 12.702 -4.571
780 H ASP 102 H ASP 102 8.331 16.150 -3.598
781 HA ASP 102 HA ASP 102 8.834 18.490 -1.884
782 1HB ASP 102 2HB ASP 102 11.170 18.342 -2.588
783 2HB ASP 102 1HB ASP 102 10.618 16.822 -1.902
784 H ALA 103 H ALA 103 10.520 20.000 -3.371
785 HA ALA 103 HA ALA 103 8.746 21.457 -5.027
786 1HB ALA 103 1HB ALA 103 10.564 22.489 -3.739
787 2HB ALA 103 2HB ALA 103 10.626 22.930 -5.445
788 3HB ALA 103 3HB ALA 103 11.742 21.723 -4.807
789 H ASP 104 H ASP 104 10.429 18.651 -5.793
790 HA ASP 104 HA ASP 104 10.550 19.357 -8.659
791 1HB ASP 104 2HB ASP 104 12.000 17.147 -7.181
792 2HB ASP 104 1HB ASP 104 12.139 17.489 -8.904
793 H GLY 105 H GLY 105 8.813 17.499 -6.392
794 1HA GLY 105 2HA GLY 105 6.729 16.495 -6.990
795 2HA GLY 105 1HA GLY 105 7.359 16.191 -8.600
796 H VAL 106 H VAL 106 9.537 15.372 -6.104
797 HA VAL 106 HA VAL 106 8.995 12.514 -6.515
798 HB VAL 106 HB VAL 106 11.429 13.843 -5.285
799 1HG1 VAL 106 1HG1 VAL 106 11.087 11.565 -4.456
800 2HG1 VAL 106 2HG1 VAL 106 12.494 11.643 -5.518
801 3HG1 VAL 106 3HG1 VAL 106 10.976 10.968 -6.113
802 1HG2 VAL 106 1HG2 VAL 106 12.559 13.315 -7.392
803 2HG2 VAL 106 2HG2 VAL 106 11.182 14.380 -7.667
804 3HG2 VAL 106 3HG2 VAL 106 11.056 12.662 -8.047
805 HA PRO 107 HA PRO 107 7.055 12.271 -2.446
806 1HB PRO 107 2HB PRO 107 7.814 9.402 -2.827
807 2HB PRO 107 1HB PRO 107 6.256 10.105 -2.370
808 1HG PRO 107 2HG PRO 107 6.610 9.204 -4.834
809 2HG PRO 107 1HG PRO 107 5.752 10.734 -4.566
810 1HD PRO 107 2HD PRO 107 8.579 10.279 -5.469
811 2HD PRO 107 1HD PRO 107 7.384 11.460 -6.052
812 H GLN 108 H GLN 108 8.197 12.984 -0.744
813 HA GLN 108 HA GLN 108 10.938 12.255 -0.312
814 1HB GLN 108 2HB GLN 108 9.035 13.906 1.360
815 2HB GLN 108 1HB GLN 108 10.748 13.714 1.706
816 1HG GLN 108 2HG GLN 108 9.535 15.005 -0.733
817 2HG GLN 108 1HG GLN 108 10.373 15.813 0.591
818 1HE2 GLN 108 1HE2 GLN 108 10.732 13.876 -2.260
819 2HE2 GLN 108 2HE2 GLN 108 12.442 14.046 -2.401
820 H LEU 109 H LEU 109 10.759 9.959 -0.018
821 HA LEU 109 HA LEU 109 9.541 8.978 2.411
822 1HB LEU 109 2HB LEU 109 10.814 7.792 0.064
823 2HB LEU 109 1HB LEU 109 11.255 6.980 1.555
824 HG LEU 109 HG LEU 109 8.871 6.643 2.080
825 1HD1 LEU 109 1HD1 LEU 109 7.908 8.545 0.955
826 2HD1 LEU 109 2HD1 LEU 109 7.173 7.060 0.353
827 3HD1 LEU 109 3HD1 LEU 109 8.385 7.902 -0.617
828 1HD2 LEU 109 1HD2 LEU 109 10.124 4.911 0.902
829 2HD2 LEU 109 2HD2 LEU 109 9.670 5.625 -0.645
830 3HD2 LEU 109 3HD2 LEU 109 8.433 4.933 0.404
831 H GLY 110 H GLY 110 12.460 10.520 1.690
832 1HA GLY 110 2HA GLY 110 14.307 9.372 3.420
833 2HA GLY 110 1HA GLY 110 14.242 11.084 3.035
834 H ASP 111 H ASP 111 11.608 11.504 4.178
835 HA ASP 111 HA ASP 111 12.307 11.946 6.903
836 1HB ASP 111 2HB ASP 111 10.728 13.337 5.471
837 2HB ASP 111 1HB ASP 111 9.527 12.073 5.711
838 H HIS 112 H HIS 112 10.640 9.391 5.210
839 HA HIS 112 HA HIS 112 9.503 8.175 7.570
840 1HB HIS 112 2HB HIS 112 9.790 7.203 4.720
841 2HB HIS 112 1HB HIS 112 9.043 6.244 5.990
842 HD1 HIS 112 HD1 HIS 112 6.857 7.408 7.119
843 HD2 HIS 112 HD2 HIS 112 8.093 8.896 3.449
844 HE1 HIS 112 HE1 HIS 112 4.880 8.646 6.198
845 HE2 HIS 112 HE2 HIS 112 5.735 9.735 4.104
846 H LEU 113 H LEU 113 12.292 7.564 5.470
847 HA LEU 113 HA LEU 113 13.051 5.161 6.862
848 1HB LEU 113 2HB LEU 113 14.752 6.724 4.920
849 2HB LEU 113 1HB LEU 113 14.857 5.017 5.313
850 HG LEU 113 HG LEU 113 12.725 6.400 3.681
851 1HD1 LEU 113 1HD1 LEU 113 13.454 4.868 1.920
852 2HD1 LEU 113 2HD1 LEU 113 14.690 4.218 2.997
853 3HD1 LEU 113 3HD1 LEU 113 14.770 5.902 2.477
854 1HD2 LEU 113 1HD2 LEU 113 11.588 4.798 5.087
855 2HD2 LEU 113 2HD2 LEU 113 12.758 3.545 4.667
856 3HD2 LEU 113 3HD2 LEU 113 11.665 4.181 3.437
857 H ALA 114 H ALA 114 15.271 4.883 7.785
858 HA ALA 114 HA ALA 114 15.658 6.802 9.867
859 1HB ALA 114 1HB ALA 114 17.434 5.310 10.643
860 2HB ALA 114 2HB ALA 114 17.331 4.396 9.136
861 3HB ALA 114 3HB ALA 114 15.966 4.415 10.254
862 H LEU 115 H LEU 115 16.407 8.768 9.167
863 HA LEU 115 HA LEU 115 18.669 9.091 7.437
864 1HB LEU 115 2HB LEU 115 17.373 11.036 9.360
865 2HB LEU 115 1HB LEU 115 18.585 11.465 8.167
866 HG LEU 115 HG LEU 115 15.824 10.397 7.546
867 1HD1 LEU 115 1HD1 LEU 115 15.769 12.667 8.445
868 2HD1 LEU 115 2HD1 LEU 115 15.360 12.651 6.730
869 3HD1 LEU 115 3HD1 LEU 115 16.962 13.178 7.249
870 1HD2 LEU 115 1HD2 LEU 115 18.006 11.393 5.706
871 2HD2 LEU 115 2HD2 LEU 115 16.368 10.957 5.218
872 3HD2 LEU 115 3HD2 LEU 115 17.454 9.724 5.860
873 H GLU 116 H GLU 116 20.793 9.028 7.939
874 HA GLU 116 HA GLU 116 21.680 8.244 10.520
875 1HB GLU 116 2HB GLU 116 22.861 7.539 8.530
876 2HB GLU 116 1HB GLU 116 23.190 9.202 8.078
877 1HG GLU 116 2HG GLU 116 24.248 8.118 10.661
878 2HG GLU 116 1HG GLU 116 25.057 7.737 9.144
Start of MODEL 17
1 1H MET 1 1H MET 1 6.996 -7.996 11.613
2 2H MET 1 2H MET 1 6.996 -8.987 12.979
3 3H MET 1 3H MET 1 8.434 -8.283 12.453
4 HA MET 1 HA MET 1 6.080 -6.825 13.504
5 1HB MET 1 2HB MET 1 8.785 -7.392 14.742
6 2HB MET 1 1HB MET 1 7.602 -6.278 15.413
7 1HG MET 1 2HG MET 1 6.015 -8.141 15.663
8 2HG MET 1 1HG MET 1 7.241 -9.247 15.043
9 1HE MET 1 1HE MET 1 7.025 -10.092 18.887
10 2HE MET 1 2HE MET 1 6.891 -10.744 17.254
11 3HE MET 1 3HE MET 1 5.696 -9.586 17.843
12 H THR 2 H THR 2 8.104 -6.559 11.076
13 HA THR 2 HA THR 2 9.212 -3.915 11.601
14 HB THR 2 HB THR 2 10.129 -4.062 9.315
15 HG1 THR 2 HG1 THR 2 9.548 -5.632 7.955
16 1HG2 THR 2 1HG2 THR 2 11.407 -5.052 11.168
17 2HG2 THR 2 2HG2 THR 2 11.654 -5.947 9.668
18 3HG2 THR 2 3HG2 THR 2 10.585 -6.591 10.914
19 H LEU 3 H LEU 3 8.941 -2.349 9.581
20 HA LEU 3 HA LEU 3 6.060 -1.897 9.306
21 1HB LEU 3 2HB LEU 3 8.387 -0.090 8.630
22 2HB LEU 3 1HB LEU 3 6.695 0.364 8.577
23 HG LEU 3 HG LEU 3 8.267 -0.356 11.057
24 1HD1 LEU 3 1HD1 LEU 3 7.958 1.986 11.670
25 2HD1 LEU 3 2HD1 LEU 3 7.143 2.290 10.136
26 3HD1 LEU 3 3HD1 LEU 3 8.848 1.836 10.156
27 1HD2 LEU 3 1HD2 LEU 3 6.247 0.327 12.286
28 2HD2 LEU 3 2HD2 LEU 3 5.972 -1.096 11.283
29 3HD2 LEU 3 3HD2 LEU 3 5.383 0.479 10.754
30 H ILE 4 H ILE 4 4.982 -2.059 7.416
31 HA ILE 4 HA ILE 4 6.533 -2.344 4.912
32 HB ILE 4 HB ILE 4 4.534 -3.542 3.995
33 1HG1 ILE 4 2HG1 ILE 4 3.668 -3.596 6.905
34 2HG1 ILE 4 1HG1 ILE 4 2.862 -2.719 5.609
35 1HG2 ILE 4 1HG2 ILE 4 6.515 -4.761 4.732
36 2HG2 ILE 4 2HG2 ILE 4 5.051 -5.687 5.058
37 3HG2 ILE 4 3HG2 ILE 4 5.870 -4.841 6.372
38 1HD1 ILE 4 1HD1 ILE 4 3.133 -5.710 5.806
39 2HD1 ILE 4 2HD1 ILE 4 2.316 -4.829 4.514
40 3HD1 ILE 4 3HD1 ILE 4 1.686 -4.767 6.160
41 H TYR 5 H TYR 5 5.852 -1.208 3.082
42 HA TYR 5 HA TYR 5 3.867 0.925 3.589
43 1HB TYR 5 2HB TYR 5 6.490 1.244 2.109
44 2HB TYR 5 1HB TYR 5 5.307 2.509 2.423
45 HD1 TYR 5 HD1 TYR 5 7.868 0.342 3.951
46 HD2 TYR 5 HD2 TYR 5 5.175 3.582 4.588
47 HE1 TYR 5 HE1 TYR 5 9.010 0.873 6.061
48 HE2 TYR 5 HE2 TYR 5 6.315 4.116 6.702
49 HH TYR 5 HH TYR 5 9.327 2.733 7.559
50 H LYS 6 H LYS 6 2.387 1.274 2.014
51 HA LYS 6 HA LYS 6 3.008 0.402 -0.738
52 1HB LYS 6 2HB LYS 6 1.433 -1.204 0.483
53 2HB LYS 6 1HB LYS 6 0.253 0.099 0.478
54 1HG LYS 6 2HG LYS 6 0.525 0.155 -2.053
55 2HG LYS 6 1HG LYS 6 1.422 -1.355 -1.889
56 1HD LYS 6 2HD LYS 6 -0.625 -2.238 -0.630
57 2HD LYS 6 1HD LYS 6 -1.473 -0.817 -1.241
58 1HE LYS 6 2HE LYS 6 -0.220 -3.048 -2.845
59 2HE LYS 6 1HE LYS 6 -1.929 -2.653 -2.713
60 1HZ LYS 6 1HZ LYS 6 -1.372 -0.492 -3.810
61 2HZ LYS 6 2HZ LYS 6 -1.167 -1.854 -4.785
62 3HZ LYS 6 3HZ LYS 6 0.179 -1.099 -4.103
63 H ILE 7 H ILE 7 3.036 2.204 -1.953
64 HA ILE 7 HA ILE 7 1.385 4.504 -1.233
65 HB ILE 7 HB ILE 7 3.415 4.199 -3.465
66 1HG1 ILE 7 2HG1 ILE 7 3.647 5.522 -0.744
67 2HG1 ILE 7 1HG1 ILE 7 4.433 4.026 -1.231
68 1HG2 ILE 7 1HG2 ILE 7 3.324 6.653 -3.612
69 2HG2 ILE 7 2HG2 ILE 7 2.043 6.678 -2.401
70 3HG2 ILE 7 3HG2 ILE 7 1.758 5.925 -3.970
71 1HD1 ILE 7 1HD1 ILE 7 5.740 5.252 -2.885
72 2HD1 ILE 7 2HD1 ILE 7 5.978 5.888 -1.257
73 3HD1 ILE 7 3HD1 ILE 7 4.946 6.750 -2.398
74 H LEU 8 H LEU 8 -0.445 5.089 -2.273
75 HA LEU 8 HA LEU 8 -1.052 4.031 -4.919
76 1HB LEU 8 2HB LEU 8 -3.162 3.053 -4.332
77 2HB LEU 8 1HB LEU 8 -1.904 2.310 -3.369
78 HG LEU 8 HG LEU 8 -3.854 4.407 -2.368
79 1HD1 LEU 8 1HD1 LEU 8 -4.981 2.309 -2.829
80 2HD1 LEU 8 2HD1 LEU 8 -4.844 2.555 -1.090
81 3HD1 LEU 8 3HD1 LEU 8 -3.764 1.423 -1.906
82 1HD2 LEU 8 1HD2 LEU 8 -1.747 4.511 -1.158
83 2HD2 LEU 8 2HD2 LEU 8 -1.790 2.769 -0.885
84 3HD2 LEU 8 3HD2 LEU 8 -3.001 3.810 -0.136
85 H SER 9 H SER 9 -3.018 4.995 -5.864
86 HA SER 9 HA SER 9 -3.028 7.821 -5.460
87 1HB SER 9 2HB SER 9 -4.728 7.877 -7.228
88 2HB SER 9 1HB SER 9 -3.415 6.792 -7.681
89 HG SER 9 HG SER 9 -4.702 5.071 -7.394
90 H ARG 10 H ARG 10 -4.857 9.155 -4.899
91 HA ARG 10 HA ARG 10 -6.149 8.471 -2.532
92 1HB ARG 10 2HB ARG 10 -5.818 10.789 -3.406
93 2HB ARG 10 1HB ARG 10 -7.103 10.501 -4.568
94 1HG ARG 10 2HG ARG 10 -7.893 11.783 -2.647
95 2HG ARG 10 1HG ARG 10 -8.708 10.222 -2.757
96 1HD ARG 10 2HD ARG 10 -7.363 9.316 -0.989
97 2HD ARG 10 1HD ARG 10 -6.324 10.740 -0.980
98 HE ARG 10 HE ARG 10 -7.956 11.916 0.172
99 1HH1 ARG 10 1HH1 ARG 10 -9.154 8.801 -0.701
100 2HH1 ARG 10 2HH1 ARG 10 -10.472 8.878 0.418
101 1HH2 ARG 10 1HH2 ARG 10 -9.637 11.980 1.613
102 2HH2 ARG 10 2HH2 ARG 10 -10.728 10.642 1.718
103 H ALA 11 H ALA 11 -7.186 8.059 -5.862
104 HA ALA 11 HA ALA 11 -9.863 7.319 -5.449
105 1HB ALA 11 1HB ALA 11 -9.748 6.318 -7.654
106 2HB ALA 11 2HB ALA 11 -7.984 6.345 -7.603
107 3HB ALA 11 3HB ALA 11 -8.891 7.858 -7.645
108 H GLU 12 H GLU 12 -7.024 5.182 -5.904
109 HA GLU 12 HA GLU 12 -8.243 2.729 -5.471
110 1HB GLU 12 2HB GLU 12 -5.439 3.612 -4.736
111 2HB GLU 12 1HB GLU 12 -5.971 1.937 -4.740
112 1HG GLU 12 2HG GLU 12 -6.332 2.001 -7.120
113 2HG GLU 12 1HG GLU 12 -5.996 3.732 -7.159
114 H TRP 13 H TRP 13 -6.768 4.893 -3.069
115 HA TRP 13 HA TRP 13 -7.231 3.175 -0.849
116 1HB TRP 13 2HB TRP 13 -5.456 4.846 -0.834
117 2HB TRP 13 1HB TRP 13 -6.645 6.139 -0.946
118 HD1 TRP 13 HD1 TRP 13 -6.808 7.319 1.312
119 HE1 TRP 13 HE1 TRP 13 -6.794 6.603 3.778
120 HE3 TRP 13 HE3 TRP 13 -6.187 2.274 0.706
121 HZ2 TRP 13 HZ2 TRP 13 -6.583 4.222 5.278
122 HZ3 TRP 13 HZ3 TRP 13 -6.098 0.851 2.709
123 HH2 TRP 13 HH2 TRP 13 -6.293 1.804 4.946
124 H ASP 14 H ASP 14 -9.011 5.958 -2.148
125 HA ASP 14 HA ASP 14 -10.851 6.224 -0.014
126 1HB ASP 14 2HB ASP 14 -10.384 7.866 -1.924
127 2HB ASP 14 1HB ASP 14 -11.430 6.870 -2.916
128 H ALA 15 H ALA 15 -11.205 4.678 -3.201
129 HA ALA 15 HA ALA 15 -13.698 3.516 -2.919
130 1HB ALA 15 1HB ALA 15 -12.464 3.570 -5.012
131 2HB ALA 15 2HB ALA 15 -12.949 1.913 -4.628
132 3HB ALA 15 3HB ALA 15 -11.282 2.434 -4.365
133 H ALA 16 H ALA 16 -10.524 2.062 -2.151
134 HA ALA 16 HA ALA 16 -11.440 -0.346 -1.063
135 1HB ALA 16 1HB ALA 16 -8.976 1.223 -0.295
136 2HB ALA 16 2HB ALA 16 -9.097 0.074 -1.630
137 3HB ALA 16 3HB ALA 16 -9.262 -0.487 0.035
138 H LYS 17 H LYS 17 -10.857 2.786 0.511
139 HA LYS 17 HA LYS 17 -11.356 1.989 3.159
140 1HB LYS 17 2HB LYS 17 -10.270 4.118 2.558
141 2HB LYS 17 1HB LYS 17 -11.786 4.705 1.888
142 1HG LYS 17 2HG LYS 17 -12.818 4.636 4.088
143 2HG LYS 17 1HG LYS 17 -11.341 3.968 4.780
144 1HD LYS 17 2HD LYS 17 -11.609 6.690 3.489
145 2HD LYS 17 1HD LYS 17 -11.549 6.376 5.223
146 1HE LYS 17 2HE LYS 17 -9.282 5.228 4.663
147 2HE LYS 17 1HE LYS 17 -9.382 6.146 3.169
148 1HZ LYS 17 1HZ LYS 17 -9.488 8.178 4.412
149 2HZ LYS 17 2HZ LYS 17 -8.138 7.300 4.937
150 3HZ LYS 17 3HZ LYS 17 -9.535 7.341 5.881
151 H ALA 18 H ALA 18 -13.551 3.193 0.643
152 HA ALA 18 HA ALA 18 -15.903 3.121 2.273
153 1HB ALA 18 1HB ALA 18 -17.118 3.404 0.160
154 2HB ALA 18 2HB ALA 18 -15.625 3.109 -0.735
155 3HB ALA 18 3HB ALA 18 -15.771 4.536 0.293
156 H GLN 19 H GLN 19 -14.301 0.837 0.140
157 HA GLN 19 HA GLN 19 -16.339 -1.175 0.234
158 1HB GLN 19 2HB GLN 19 -13.423 -1.232 -0.570
159 2HB GLN 19 1HB GLN 19 -14.461 -2.650 -0.653
160 1HG GLN 19 2HG GLN 19 -15.839 -1.663 -2.285
161 2HG GLN 19 1HG GLN 19 -15.121 -0.076 -2.051
162 1HE2 GLN 19 1HE2 GLN 19 -13.240 -3.020 -2.246
163 2HE2 GLN 19 2HE2 GLN 19 -12.517 -2.670 -3.768
164 H GLY 20 H GLY 20 -13.756 -0.242 2.321
165 1HA GLY 20 2HA GLY 20 -13.297 -1.002 4.473
166 2HA GLY 20 1HA GLY 20 -14.410 -2.340 4.223
167 H ARG 21 H ARG 21 -12.650 -2.562 1.531
168 HA ARG 21 HA ARG 21 -10.220 -3.718 2.598
169 1HB ARG 21 2HB ARG 21 -10.668 -6.019 1.964
170 2HB ARG 21 1HB ARG 21 -11.873 -5.467 3.119
171 1HG ARG 21 2HG ARG 21 -13.358 -4.990 1.086
172 2HG ARG 21 1HG ARG 21 -12.199 -5.956 0.170
173 1HD ARG 21 2HD ARG 21 -13.952 -7.424 0.823
174 2HD ARG 21 1HD ARG 21 -12.568 -7.801 1.851
175 HE ARG 21 HE ARG 21 -14.647 -5.979 2.839
176 1HH1 ARG 21 1HH1 ARG 21 -13.045 -9.026 3.064
177 2HH1 ARG 21 2HH1 ARG 21 -13.725 -9.385 4.609
178 1HH2 ARG 21 1HH2 ARG 21 -15.508 -6.450 4.793
179 2HH2 ARG 21 2HH2 ARG 21 -15.099 -7.929 5.589
180 H PHE 22 H PHE 22 -8.631 -3.921 1.080
181 HA PHE 22 HA PHE 22 -9.409 -3.728 -1.752
182 1HB PHE 22 2HB PHE 22 -7.081 -2.733 -2.108
183 2HB PHE 22 1HB PHE 22 -8.306 -1.703 -1.404
184 HD1 PHE 22 HD2 PHE 22 -8.284 -1.830 1.312
185 HD2 PHE 22 HD1 PHE 22 -4.978 -2.553 -1.280
186 HE1 PHE 22 HE2 PHE 22 -6.739 -1.222 3.120
187 HE2 PHE 22 HE1 PHE 22 -3.430 -1.943 0.527
188 HZ PHE 22 HZ PHE 22 -4.309 -1.274 2.729
189 H GLU 23 H GLU 23 -9.092 -5.519 -2.809
190 HA GLU 23 HA GLU 23 -7.401 -7.623 -1.832
191 1HB GLU 23 2HB GLU 23 -8.186 -8.842 -3.854
192 2HB GLU 23 1HB GLU 23 -9.494 -8.193 -2.874
193 1HG GLU 23 2HG GLU 23 -9.550 -6.229 -4.469
194 2HG GLU 23 1HG GLU 23 -8.470 -7.158 -5.508
195 H GLY 24 H GLY 24 -6.580 -4.877 -3.355
196 1HA GLY 24 2HA GLY 24 -4.076 -4.843 -3.708
197 2HA GLY 24 1HA GLY 24 -4.372 -6.124 -4.873
198 H SER 25 H SER 25 -3.049 -3.830 -5.617
199 HA SER 25 HA SER 25 -4.821 -1.995 -6.950
200 1HB SER 25 2HB SER 25 -1.857 -2.507 -7.366
201 2HB SER 25 1HB SER 25 -2.760 -1.149 -8.034
202 HG SER 25 HG SER 25 -2.944 -0.261 -6.065
203 H ALA 26 H ALA 26 -4.360 -1.671 -9.465
204 HA ALA 26 HA ALA 26 -5.507 -3.796 -10.859
205 1HB ALA 26 1HB ALA 26 -4.853 -2.609 -12.910
206 2HB ALA 26 2HB ALA 26 -3.766 -1.586 -11.970
207 3HB ALA 26 3HB ALA 26 -5.506 -1.504 -11.701
208 H VAL 27 H VAL 27 -2.080 -2.800 -10.895
209 HA VAL 27 HA VAL 27 -1.019 -4.927 -12.347
210 HB VAL 27 HB VAL 27 0.286 -3.421 -10.055
211 1HG1 VAL 27 1HG1 VAL 27 2.422 -4.047 -11.098
212 2HG1 VAL 27 2HG1 VAL 27 1.556 -5.017 -12.291
213 3HG1 VAL 27 3HG1 VAL 27 1.511 -5.469 -10.587
214 1HG2 VAL 27 1HG2 VAL 27 1.235 -1.982 -11.801
215 2HG2 VAL 27 2HG2 VAL 27 -0.528 -1.923 -11.806
216 3HG2 VAL 27 3HG2 VAL 27 0.327 -2.867 -13.028
217 H ASP 28 H ASP 28 -1.385 -4.622 -8.826
218 HA ASP 28 HA ASP 28 -0.252 -6.975 -7.956
219 1HB ASP 28 2HB ASP 28 -2.726 -5.676 -6.782
220 2HB ASP 28 1HB ASP 28 -1.591 -6.721 -5.938
221 H LEU 29 H LEU 29 -3.748 -6.473 -8.467
222 HA LEU 29 HA LEU 29 -4.528 -9.131 -8.067
223 1HB LEU 29 2HB LEU 29 -6.017 -7.111 -8.057
224 2HB LEU 29 1HB LEU 29 -5.904 -7.073 -9.806
225 HG LEU 29 HG LEU 29 -6.952 -9.347 -9.874
226 1HD1 LEU 29 1HD1 LEU 29 -8.088 -10.182 -7.873
227 2HD1 LEU 29 2HD1 LEU 29 -7.382 -8.873 -6.921
228 3HD1 LEU 29 3HD1 LEU 29 -6.342 -10.104 -7.637
229 1HD2 LEU 29 1HD2 LEU 29 -8.582 -7.213 -8.482
230 2HD2 LEU 29 2HD2 LEU 29 -9.218 -8.573 -9.410
231 3HD2 LEU 29 3HD2 LEU 29 -8.285 -7.316 -10.219
232 H ALA 30 H ALA 30 -3.225 -7.536 -10.884
233 HA ALA 30 HA ALA 30 -4.074 -9.392 -12.852
234 1HB ALA 30 1HB ALA 30 -3.367 -7.111 -13.384
235 2HB ALA 30 2HB ALA 30 -2.458 -8.304 -14.310
236 3HB ALA 30 3HB ALA 30 -1.714 -7.513 -12.918
237 H ASP 31 H ASP 31 -0.991 -9.159 -11.007
238 HA ASP 31 HA ASP 31 -0.037 -11.560 -12.368
239 1HB ASP 31 2HB ASP 31 2.054 -11.202 -10.968
240 2HB ASP 31 1HB ASP 31 1.678 -9.980 -12.173
241 H GLY 32 H GLY 32 -1.183 -10.661 -9.140
242 1HA GLY 32 2HA GLY 32 -2.340 -13.021 -8.517
243 2HA GLY 32 1HA GLY 32 -0.661 -13.343 -8.134
244 H PHE 33 H PHE 33 0.316 -11.413 -6.728
245 HA PHE 33 HA PHE 33 -1.527 -11.266 -4.420
246 1HB PHE 33 2HB PHE 33 1.496 -11.463 -4.371
247 2HB PHE 33 1HB PHE 33 0.433 -11.440 -2.970
248 HD1 PHE 33 HD1 PHE 33 -1.297 -13.336 -2.774
249 HD2 PHE 33 HD2 PHE 33 2.091 -13.498 -5.358
250 HE1 PHE 33 HE1 PHE 33 -1.481 -15.786 -2.856
251 HE2 PHE 33 HE2 PHE 33 1.908 -15.952 -5.440
252 HZ PHE 33 HZ PHE 33 0.121 -17.100 -4.189
253 H ILE 34 H ILE 34 -1.095 -9.534 -2.856
254 HA ILE 34 HA ILE 34 -1.113 -6.998 -4.115
255 HB ILE 34 HB ILE 34 -0.834 -7.671 -1.181
256 1HG1 ILE 34 2HG1 ILE 34 -3.298 -7.067 -2.842
257 2HG1 ILE 34 1HG1 ILE 34 -2.851 -8.644 -2.204
258 1HG2 ILE 34 1HG2 ILE 34 -1.681 -5.080 -2.487
259 2HG2 ILE 34 2HG2 ILE 34 -0.165 -5.365 -1.631
260 3HG2 ILE 34 3HG2 ILE 34 -1.694 -5.414 -0.755
261 1HD1 ILE 34 1HD1 ILE 34 -3.112 -7.791 0.070
262 2HD1 ILE 34 2HD1 ILE 34 -4.594 -7.628 -0.872
263 3HD1 ILE 34 3HD1 ILE 34 -3.578 -6.218 -0.579
264 H HIS 35 H HIS 35 0.429 -5.436 -4.334
265 HA HIS 35 HA HIS 35 3.201 -6.243 -3.858
266 1HB HIS 35 2HB HIS 35 1.987 -3.994 -5.474
267 2HB HIS 35 1HB HIS 35 3.721 -4.208 -5.264
268 HD1 HIS 35 HD1 HIS 35 4.504 -4.976 -7.493
269 HD2 HIS 35 HD2 HIS 35 1.092 -7.001 -6.268
270 HE1 HIS 35 HE1 HIS 35 4.099 -6.727 -9.240
271 HE2 HIS 35 HE2 HIS 35 1.916 -7.788 -8.586
272 H LEU 36 H LEU 36 4.237 -5.609 -2.105
273 HA LEU 36 HA LEU 36 3.603 -2.988 -0.900
274 1HB LEU 36 2HB LEU 36 4.781 -5.432 0.440
275 2HB LEU 36 1HB LEU 36 4.410 -3.907 1.225
276 HG LEU 36 HG LEU 36 2.342 -5.730 -0.030
277 1HD1 LEU 36 1HD1 LEU 36 1.711 -6.334 2.242
278 2HD1 LEU 36 2HD1 LEU 36 3.037 -5.363 2.884
279 3HD1 LEU 36 3HD1 LEU 36 3.382 -6.792 1.910
280 1HD2 LEU 36 1HD2 LEU 36 1.680 -3.376 0.010
281 2HD2 LEU 36 2HD2 LEU 36 2.027 -3.300 1.738
282 3HD2 LEU 36 3HD2 LEU 36 0.723 -4.328 1.143
283 H SER 37 H SER 37 5.573 -2.059 0.303
284 HA SER 37 HA SER 37 8.115 -2.745 -1.003
285 1HB SER 37 2HB SER 37 6.879 0.015 -0.960
286 2HB SER 37 1HB SER 37 8.577 -0.283 -1.323
287 HG SER 37 HG SER 37 6.817 -1.835 -2.767
288 H ALA 38 H ALA 38 10.000 -1.974 0.078
289 HA ALA 38 HA ALA 38 9.558 -1.448 2.950
290 1HB ALA 38 1HB ALA 38 11.877 -2.866 1.630
291 2HB ALA 38 2HB ALA 38 10.553 -3.640 2.499
292 3HB ALA 38 3HB ALA 38 11.681 -2.593 3.361
293 H GLY 39 H GLY 39 9.984 0.602 3.471
294 1HA GLY 39 2HA GLY 39 10.896 2.719 3.484
295 2HA GLY 39 1HA GLY 39 12.414 1.844 3.465
296 H GLU 40 H GLU 40 13.725 2.084 1.768
297 HA GLU 40 HA GLU 40 13.533 4.170 -0.016
298 1HB GLU 40 2HB GLU 40 15.638 3.056 0.479
299 2HB GLU 40 1HB GLU 40 15.082 1.585 -0.309
300 1HG GLU 40 2HG GLU 40 14.979 2.822 -2.455
301 2HG GLU 40 1HG GLU 40 15.656 4.231 -1.641
302 H GLN 41 H GLN 41 12.704 0.766 -0.646
303 HA GLN 41 HA GLN 41 12.284 0.963 -3.402
304 1HB GLN 41 2HB GLN 41 10.967 -0.896 -1.415
305 2HB GLN 41 1HB GLN 41 10.933 -1.104 -3.162
306 1HG GLN 41 2HG GLN 41 13.361 -1.328 -3.198
307 2HG GLN 41 1HG GLN 41 13.419 -1.082 -1.455
308 1HE2 GLN 41 1HE2 GLN 41 10.942 -2.985 -3.055
309 2HE2 GLN 41 2HE2 GLN 41 11.465 -4.510 -2.437
310 H ALA 42 H ALA 42 10.213 1.962 -0.785
311 HA ALA 42 HA ALA 42 7.786 2.121 -2.290
312 1HB ALA 42 1HB ALA 42 6.928 3.431 -0.415
313 2HB ALA 42 2HB ALA 42 8.559 3.588 0.238
314 3HB ALA 42 3HB ALA 42 7.789 2.004 0.161
315 H GLN 43 H GLN 43 10.227 4.544 -1.333
316 HA GLN 43 HA GLN 43 8.989 6.729 -2.647
317 1HB GLN 43 2HB GLN 43 10.714 6.873 -0.813
318 2HB GLN 43 1HB GLN 43 11.930 6.431 -2.002
319 1HG GLN 43 2HG GLN 43 11.533 8.436 -3.251
320 2HG GLN 43 1HG GLN 43 10.148 8.847 -2.240
321 1HE2 GLN 43 1HE2 GLN 43 10.969 10.797 -1.576
322 2HE2 GLN 43 2HE2 GLN 43 12.331 10.943 -0.522
323 H GLU 44 H GLU 44 11.444 4.393 -3.666
324 HA GLU 44 HA GLU 44 12.032 5.458 -6.196
325 1HB GLU 44 2HB GLU 44 12.009 2.598 -5.209
326 2HB GLU 44 1HB GLU 44 12.617 3.066 -6.792
327 1HG GLU 44 2HG GLU 44 13.695 4.097 -4.169
328 2HG GLU 44 1HG GLU 44 14.386 2.760 -5.085
329 H THR 45 H THR 45 9.625 2.932 -5.338
330 HA THR 45 HA THR 45 8.439 2.686 -7.863
331 HB THR 45 HB THR 45 7.075 2.375 -5.170
332 HG1 THR 45 HG1 THR 45 8.262 0.635 -5.055
333 1HG2 THR 45 1HG2 THR 45 5.472 2.578 -7.050
334 2HG2 THR 45 2HG2 THR 45 5.468 0.959 -6.349
335 3HG2 THR 45 3HG2 THR 45 6.295 1.255 -7.878
336 H ALA 46 H ALA 46 7.868 5.046 -5.300
337 HA ALA 46 HA ALA 46 5.616 6.326 -6.376
338 1HB ALA 46 1HB ALA 46 6.278 8.264 -5.052
339 2HB ALA 46 2HB ALA 46 7.891 7.585 -4.834
340 3HB ALA 46 3HB ALA 46 6.493 6.780 -4.124
341 H ALA 47 H ALA 47 9.072 7.178 -6.796
342 HA ALA 47 HA ALA 47 8.700 9.205 -8.701
343 1HB ALA 47 1HB ALA 47 11.070 8.958 -9.195
344 2HB ALA 47 2HB ALA 47 11.094 7.388 -8.391
345 3HB ALA 47 3HB ALA 47 10.791 8.852 -7.457
346 H LYS 48 H LYS 48 8.835 5.722 -9.084
347 HA LYS 48 HA LYS 48 9.097 5.724 -11.929
348 1HB LYS 48 2HB LYS 48 8.272 3.587 -9.954
349 2HB LYS 48 1HB LYS 48 8.508 3.301 -11.667
350 1HG LYS 48 2HG LYS 48 10.856 3.887 -11.486
351 2HG LYS 48 1HG LYS 48 10.637 4.291 -9.780
352 1HD LYS 48 2HD LYS 48 10.037 1.968 -9.294
353 2HD LYS 48 1HD LYS 48 10.211 1.556 -11.003
354 1HE LYS 48 2HE LYS 48 12.435 2.620 -9.254
355 2HE LYS 48 1HE LYS 48 12.175 0.916 -9.617
356 1HZ LYS 48 1HZ LYS 48 12.708 3.019 -11.643
357 2HZ LYS 48 2HZ LYS 48 12.549 1.359 -11.940
358 3HZ LYS 48 3HZ LYS 48 13.860 1.938 -11.039
359 H TRP 49 H TRP 49 6.359 5.280 -9.695
360 HA TRP 49 HA TRP 49 4.510 5.182 -11.990
361 1HB TRP 49 2HB TRP 49 4.179 4.082 -9.192
362 2HB TRP 49 1HB TRP 49 2.934 4.040 -10.435
363 HD1 TRP 49 HD1 TRP 49 6.453 2.575 -9.737
364 HE1 TRP 49 HE1 TRP 49 6.659 0.344 -11.006
365 HE3 TRP 49 HE3 TRP 49 2.013 2.665 -12.275
366 HZ2 TRP 49 HZ2 TRP 49 5.142 -1.175 -12.838
367 HZ3 TRP 49 HZ3 TRP 49 1.471 0.787 -13.764
368 HH2 TRP 49 HH2 TRP 49 3.002 -1.092 -14.040
369 H PHE 50 H PHE 50 4.599 6.327 -8.606
370 HA PHE 50 HA PHE 50 2.311 8.076 -9.153
371 1HB PHE 50 2HB PHE 50 3.608 7.354 -6.510
372 2HB PHE 50 1HB PHE 50 2.104 8.245 -6.717
373 HD1 PHE 50 HD1 PHE 50 0.079 7.101 -7.543
374 HD2 PHE 50 HD2 PHE 50 3.678 4.965 -6.731
375 HE1 PHE 50 HE1 PHE 50 -1.173 4.984 -7.560
376 HE2 PHE 50 HE2 PHE 50 2.424 2.848 -6.737
377 HZ PHE 50 HZ PHE 50 0.000 2.854 -7.156
378 H ARG 51 H ARG 51 4.092 9.261 -10.469
379 HA ARG 51 HA ARG 51 6.075 10.739 -9.056
380 1HB ARG 51 2HB ARG 51 6.271 9.965 -11.407
381 2HB ARG 51 1HB ARG 51 5.048 11.139 -11.870
382 1HG ARG 51 2HG ARG 51 6.480 12.963 -11.376
383 2HG ARG 51 1HG ARG 51 7.640 11.917 -10.551
384 1HD ARG 51 2HD ARG 51 6.978 11.880 -13.501
385 2HD ARG 51 1HD ARG 51 8.456 12.510 -12.769
386 HE ARG 51 HE ARG 51 8.317 9.916 -11.918
387 1HH1 ARG 51 1HH1 ARG 51 8.408 11.456 -14.999
388 2HH1 ARG 51 2HH1 ARG 51 9.133 10.092 -15.774
389 1HH2 ARG 51 1HH2 ARG 51 9.245 8.194 -12.905
390 2HH2 ARG 51 2HH2 ARG 51 9.612 8.254 -14.594
391 H GLY 52 H GLY 52 2.845 11.558 -10.216
392 1HA GLY 52 2HA GLY 52 2.481 13.616 -8.343
393 2HA GLY 52 1HA GLY 52 3.018 14.358 -9.839
394 H GLN 53 H GLN 53 0.604 11.947 -8.745
395 HA GLN 53 HA GLN 53 -1.272 13.073 -10.711
396 1HB GLN 53 2HB GLN 53 -1.268 10.418 -9.266
397 2HB GLN 53 1HB GLN 53 -2.626 10.983 -10.226
398 1HG GLN 53 2HG GLN 53 -1.511 9.627 -11.720
399 2HG GLN 53 1HG GLN 53 -0.887 11.218 -12.135
400 1HE2 GLN 53 1HE2 GLN 53 -0.154 8.112 -10.845
401 2HE2 GLN 53 2HE2 GLN 53 1.560 8.309 -10.777
402 H ALA 54 H ALA 54 -0.600 14.237 -8.094
403 HA ALA 54 HA ALA 54 -1.551 15.335 -6.349
404 1HB ALA 54 1HB ALA 54 -2.794 16.369 -8.176
405 2HB ALA 54 2HB ALA 54 -3.772 16.263 -6.711
406 3HB ALA 54 3HB ALA 54 -4.041 15.130 -8.037
407 H ASN 55 H ASN 55 -1.959 14.643 -4.359
408 HA ASN 55 HA ASN 55 -2.677 13.428 -2.602
409 1HB ASN 55 2HB ASN 55 -5.085 13.036 -4.376
410 2HB ASN 55 1HB ASN 55 -4.995 12.402 -2.736
411 1HD2 ASN 55 1HD2 ASN 55 -3.571 14.577 -1.584
412 2HD2 ASN 55 2HD2 ASN 55 -4.641 15.928 -1.543
413 H LEU 56 H LEU 56 -1.044 11.998 -2.646
414 HA LEU 56 HA LEU 56 -1.630 9.315 -3.729
415 1HB LEU 56 2HB LEU 56 1.080 10.622 -3.366
416 2HB LEU 56 1HB LEU 56 0.792 9.010 -4.000
417 HG LEU 56 HG LEU 56 -0.184 11.547 -5.328
418 1HD1 LEU 56 1HD1 LEU 56 1.624 11.176 -6.959
419 2HD1 LEU 56 2HD1 LEU 56 2.254 9.879 -5.942
420 3HD1 LEU 56 3HD1 LEU 56 2.234 11.537 -5.344
421 1HD2 LEU 56 1HD2 LEU 56 -0.047 8.694 -6.317
422 2HD2 LEU 56 2HD2 LEU 56 -0.562 10.090 -7.266
423 3HD2 LEU 56 3HD2 LEU 56 -1.511 9.572 -5.872
424 H VAL 57 H VAL 57 -2.082 7.961 -2.088
425 HA VAL 57 HA VAL 57 -1.444 8.762 0.625
426 HB VAL 57 HB VAL 57 -3.069 6.402 -0.348
427 1HG1 VAL 57 1HG1 VAL 57 -3.975 6.361 1.943
428 2HG1 VAL 57 2HG1 VAL 57 -2.852 7.642 2.404
429 3HG1 VAL 57 3HG1 VAL 57 -2.237 6.060 1.918
430 1HG2 VAL 57 1HG2 VAL 57 -3.955 9.145 0.571
431 2HG2 VAL 57 2HG2 VAL 57 -5.030 7.793 0.212
432 3HG2 VAL 57 3HG2 VAL 57 -4.054 8.509 -1.071
433 H LEU 58 H LEU 58 0.148 7.980 1.816
434 HA LEU 58 HA LEU 58 1.565 5.538 1.038
435 1HB LEU 58 2HB LEU 58 2.941 7.488 1.538
436 2HB LEU 58 1HB LEU 58 2.179 7.659 3.107
437 HG LEU 58 HG LEU 58 3.171 5.495 3.809
438 1HD1 LEU 58 1HD1 LEU 58 4.965 4.504 2.446
439 2HD1 LEU 58 2HD1 LEU 58 4.560 5.610 1.132
440 3HD1 LEU 58 3HD1 LEU 58 3.388 4.404 1.664
441 1HD2 LEU 58 1HD2 LEU 58 4.303 7.602 4.327
442 2HD2 LEU 58 2HD2 LEU 58 5.187 7.509 2.802
443 3HD2 LEU 58 3HD2 LEU 58 5.459 6.298 4.056
444 H LEU 59 H LEU 59 0.768 3.691 1.865
445 HA LEU 59 HA LEU 59 -0.606 3.665 4.434
446 1HB LEU 59 2HB LEU 59 0.000 1.409 2.515
447 2HB LEU 59 1HB LEU 59 -1.013 1.288 3.942
448 HG LEU 59 HG LEU 59 -1.592 2.957 1.489
449 1HD1 LEU 59 1HD1 LEU 59 -2.927 0.463 2.546
450 2HD1 LEU 59 2HD1 LEU 59 -1.905 0.568 1.112
451 3HD1 LEU 59 3HD1 LEU 59 -3.454 1.409 1.153
452 1HD2 LEU 59 1HD2 LEU 59 -3.766 3.396 2.565
453 2HD2 LEU 59 2HD2 LEU 59 -2.416 4.086 3.463
454 3HD2 LEU 59 3HD2 LEU 59 -3.184 2.601 4.028
455 H ALA 60 H ALA 60 0.658 3.725 6.170
456 HA ALA 60 HA ALA 60 3.117 2.101 6.238
457 1HB ALA 60 1HB ALA 60 2.271 4.347 8.074
458 2HB ALA 60 2HB ALA 60 3.413 4.484 6.737
459 3HB ALA 60 3HB ALA 60 3.805 3.477 8.129
460 H VAL 61 H VAL 61 2.558 0.095 6.870
461 HA VAL 61 HA VAL 61 0.759 -0.187 9.201
462 HB VAL 61 HB VAL 61 1.230 -2.200 6.988
463 1HG1 VAL 61 1HG1 VAL 61 -0.671 -3.408 7.984
464 2HG1 VAL 61 2HG1 VAL 61 -0.735 -2.221 9.288
465 3HG1 VAL 61 3HG1 VAL 61 0.677 -3.264 9.114
466 1HG2 VAL 61 1HG2 VAL 61 0.004 -0.245 6.174
467 2HG2 VAL 61 2HG2 VAL 61 -1.158 -0.416 7.491
468 3HG2 VAL 61 3HG2 VAL 61 -1.043 -1.663 6.249
469 H GLU 62 H GLU 62 1.551 -1.137 10.996
470 HA GLU 62 HA GLU 62 4.187 -2.246 11.106
471 1HB GLU 62 2HB GLU 62 1.911 -2.368 13.110
472 2HB GLU 62 1HB GLU 62 3.571 -2.855 13.439
473 1HG GLU 62 2HG GLU 62 4.342 -0.582 13.032
474 2HG GLU 62 1HG GLU 62 2.702 -0.077 12.646
475 H ALA 63 H ALA 63 4.477 -3.977 9.829
476 HA ALA 63 HA ALA 63 2.559 -5.456 8.608
477 1HB ALA 63 1HB ALA 63 5.351 -6.422 9.179
478 2HB ALA 63 2HB ALA 63 4.898 -5.296 7.901
479 3HB ALA 63 3HB ALA 63 4.296 -6.955 7.869
480 H GLU 64 H GLU 64 4.589 -6.905 11.183
481 HA GLU 64 HA GLU 64 4.345 -8.786 12.432
482 1HB GLU 64 2HB GLU 64 1.395 -8.430 11.835
483 2HB GLU 64 1HB GLU 64 2.039 -9.640 12.935
484 1HG GLU 64 2HG GLU 64 2.238 -6.651 13.240
485 2HG GLU 64 1HG GLU 64 1.206 -7.741 14.166
486 HA PRO 65 HA PRO 65 4.354 -12.290 9.611
487 1HB PRO 65 2HB PRO 65 3.139 -13.858 11.833
488 2HB PRO 65 1HB PRO 65 4.609 -14.174 10.903
489 1HG PRO 65 2HG PRO 65 4.741 -13.285 13.422
490 2HG PRO 65 1HG PRO 65 5.896 -12.735 12.195
491 1HD PRO 65 2HD PRO 65 3.524 -11.310 13.337
492 2HD PRO 65 1HD PRO 65 5.114 -10.669 12.877
493 H LEU 66 H LEU 66 1.494 -11.843 11.680
494 HA LEU 66 HA LEU 66 -0.745 -11.918 11.320
495 1HB LEU 66 2HB LEU 66 -0.006 -12.093 8.391
496 2HB LEU 66 1HB LEU 66 -1.642 -11.904 8.994
497 HG LEU 66 HG LEU 66 0.605 -9.905 9.338
498 1HD1 LEU 66 1HD1 LEU 66 -1.854 -9.840 7.585
499 2HD1 LEU 66 2HD1 LEU 66 -0.181 -9.978 7.046
500 3HD1 LEU 66 3HD1 LEU 66 -0.734 -8.497 7.827
501 1HD2 LEU 66 1HD2 LEU 66 -1.120 -8.424 10.260
502 2HD2 LEU 66 2HD2 LEU 66 -0.913 -9.870 11.247
503 3HD2 LEU 66 3HD2 LEU 66 -2.299 -9.734 10.163
504 H GLY 67 H GLY 67 0.842 -14.137 9.089
505 1HA GLY 67 2HA GLY 67 0.085 -16.468 10.518
506 2HA GLY 67 1HA GLY 67 -0.921 -16.262 9.088
507 H GLU 68 H GLU 68 0.156 -16.119 7.019
508 HA GLU 68 HA GLU 68 2.945 -16.972 6.890
509 1HB GLU 68 2HB GLU 68 2.164 -18.464 5.027
510 2HB GLU 68 1HB GLU 68 1.700 -18.987 6.630
511 1HG GLU 68 2HG GLU 68 -0.528 -17.997 6.249
512 2HG GLU 68 1HG GLU 68 -0.033 -17.558 4.615
513 H ASP 69 H ASP 69 1.021 -14.548 6.287
514 HA ASP 69 HA ASP 69 0.632 -14.438 3.496
515 1HB ASP 69 2HB ASP 69 0.405 -12.283 5.596
516 2HB ASP 69 1HB ASP 69 -0.208 -12.163 3.948
517 H LEU 70 H LEU 70 2.924 -12.566 5.546
518 HA LEU 70 HA LEU 70 3.638 -10.881 3.368
519 1HB LEU 70 2HB LEU 70 3.795 -10.184 5.738
520 2HB LEU 70 1HB LEU 70 5.138 -11.291 5.954
521 HG LEU 70 HG LEU 70 6.458 -10.017 4.298
522 1HD1 LEU 70 1HD1 LEU 70 4.098 -8.132 4.279
523 2HD1 LEU 70 2HD1 LEU 70 4.635 -9.146 2.938
524 3HD1 LEU 70 3HD1 LEU 70 5.661 -7.836 3.519
525 1HD2 LEU 70 1HD2 LEU 70 5.338 -8.323 6.531
526 2HD2 LEU 70 2HD2 LEU 70 6.853 -8.035 5.676
527 3HD2 LEU 70 3HD2 LEU 70 6.663 -9.479 6.669
528 H LYS 71 H LYS 71 4.434 -11.863 1.664
529 HA LYS 71 HA LYS 71 6.634 -13.793 1.891
530 1HB LYS 71 2HB LYS 71 4.761 -14.545 0.563
531 2HB LYS 71 1HB LYS 71 4.782 -13.069 -0.390
532 1HG LYS 71 2HG LYS 71 6.990 -13.714 -1.298
533 2HG LYS 71 1HG LYS 71 6.895 -15.226 -0.391
534 1HD LYS 71 2HD LYS 71 4.938 -15.907 -1.641
535 2HD LYS 71 1HD LYS 71 4.868 -14.344 -2.457
536 1HE LYS 71 2HE LYS 71 5.829 -15.981 -3.947
537 2HE LYS 71 1HE LYS 71 7.070 -14.822 -3.481
538 1HZ LYS 71 1HZ LYS 71 6.714 -17.544 -2.354
539 2HZ LYS 71 2HZ LYS 71 7.892 -16.434 -1.861
540 3HZ LYS 71 3HZ LYS 71 7.922 -17.057 -3.432
541 H TRP 72 H TRP 72 8.547 -12.721 2.014
542 HA TRP 72 HA TRP 72 9.111 -10.355 0.490
543 1HB TRP 72 2HB TRP 72 10.882 -12.200 2.112
544 2HB TRP 72 1HB TRP 72 11.482 -10.758 1.296
545 HD1 TRP 72 HD1 TRP 72 9.219 -11.800 4.232
546 HE1 TRP 72 HE1 TRP 72 8.920 -9.769 5.785
547 HE3 TRP 72 HE3 TRP 72 11.530 -8.242 1.374
548 HZ2 TRP 72 HZ2 TRP 72 9.574 -7.022 5.797
549 HZ3 TRP 72 HZ3 TRP 72 11.645 -5.934 2.224
550 HH2 TRP 72 HH2 TRP 72 10.686 -5.339 4.394
551 H GLU 73 H GLU 73 9.093 -10.548 -1.661
552 HA GLU 73 HA GLU 73 9.777 -12.938 -3.051
553 1HB GLU 73 2HB GLU 73 8.131 -11.078 -3.741
554 2HB GLU 73 1HB GLU 73 9.547 -10.211 -4.318
555 1HG GLU 73 2HG GLU 73 8.557 -11.340 -6.167
556 2HG GLU 73 1HG GLU 73 10.069 -12.161 -5.777
557 H ALA 74 H ALA 74 11.873 -13.577 -2.888
558 HA ALA 74 HA ALA 74 13.973 -11.682 -3.732
559 1HB ALA 74 1HB ALA 74 15.574 -13.152 -2.651
560 2HB ALA 74 2HB ALA 74 14.294 -14.303 -2.265
561 3HB ALA 74 3HB ALA 74 14.296 -12.705 -1.517
562 H SER 75 H SER 75 13.569 -11.884 -5.955
563 HA SER 75 HA SER 75 14.042 -14.534 -7.182
564 1HB SER 75 2HB SER 75 12.805 -13.652 -9.129
565 2HB SER 75 1HB SER 75 11.832 -13.553 -7.662
566 HG SER 75 HG SER 75 11.608 -11.552 -8.317
567 H ARG 76 H ARG 76 14.430 -13.283 -9.851
568 HA ARG 76 HA ARG 76 17.237 -12.831 -9.761
569 1HB ARG 76 2HB ARG 76 15.226 -12.363 -11.975
570 2HB ARG 76 1HB ARG 76 16.963 -12.185 -12.180
571 1HG ARG 76 2HG ARG 76 17.242 -14.566 -11.538
572 2HG ARG 76 1HG ARG 76 15.486 -14.718 -11.472
573 1HD ARG 76 2HD ARG 76 17.079 -13.918 -13.912
574 2HD ARG 76 1HD ARG 76 16.438 -15.531 -13.603
575 HE ARG 76 HE ARG 76 14.193 -14.221 -13.528
576 1HH1 ARG 76 1HH1 ARG 76 16.840 -13.566 -15.647
577 2HH1 ARG 76 2HH1 ARG 76 15.808 -13.013 -16.918
578 1HH2 ARG 76 1HH2 ARG 76 12.910 -13.499 -15.169
579 2HH2 ARG 76 2HH2 ARG 76 13.630 -12.957 -16.650
580 H GLY 77 H GLY 77 17.338 -11.137 -8.165
581 1HA GLY 77 2HA GLY 77 17.817 -8.580 -9.178
582 2HA GLY 77 1HA GLY 77 16.189 -8.572 -8.517
583 H GLY 78 H GLY 78 18.268 -6.954 -7.519
584 1HA GLY 78 2HA GLY 78 19.384 -8.210 -5.157
585 2HA GLY 78 1HA GLY 78 19.584 -6.537 -5.642
586 H ALA 79 H ALA 79 16.719 -5.999 -5.830
587 HA ALA 79 HA ALA 79 16.270 -5.426 -3.022
588 1HB ALA 79 1HB ALA 79 14.419 -4.053 -3.801
589 2HB ALA 79 2HB ALA 79 14.597 -4.705 -5.431
590 3HB ALA 79 3HB ALA 79 15.878 -3.714 -4.733
591 H ARG 80 H ARG 80 14.885 -6.433 -1.672
592 HA ARG 80 HA ARG 80 13.336 -8.709 -2.645
593 1HB ARG 80 2HB ARG 80 13.857 -7.658 0.150
594 2HB ARG 80 1HB ARG 80 12.914 -9.102 -0.202
595 1HG ARG 80 2HG ARG 80 14.831 -10.226 -1.094
596 2HG ARG 80 1HG ARG 80 15.796 -8.750 -1.025
597 1HD ARG 80 2HD ARG 80 14.650 -10.191 1.378
598 2HD ARG 80 1HD ARG 80 16.318 -10.324 0.815
599 HE ARG 80 HE ARG 80 15.581 -7.612 1.268
600 1HH1 ARG 80 1HH1 ARG 80 16.578 -10.484 2.904
601 2HH1 ARG 80 2HH1 ARG 80 17.249 -9.601 4.232
602 1HH2 ARG 80 1HH2 ARG 80 16.450 -6.520 2.978
603 2HH2 ARG 80 2HH2 ARG 80 17.176 -7.408 4.275
604 H PHE 81 H PHE 81 11.271 -8.468 -3.271
605 HA PHE 81 HA PHE 81 9.808 -6.053 -2.437
606 1HB PHE 81 2HB PHE 81 9.260 -7.989 -4.700
607 2HB PHE 81 1HB PHE 81 8.320 -6.541 -4.358
608 HD1 PHE 81 HD2 PHE 81 9.320 -4.301 -4.697
609 HD2 PHE 81 HD1 PHE 81 11.370 -7.867 -5.822
610 HE1 PHE 81 HE2 PHE 81 10.842 -2.980 -6.112
611 HE2 PHE 81 HE1 PHE 81 12.893 -6.549 -7.229
612 HZ PHE 81 HZ PHE 81 12.633 -4.107 -7.379
613 HA PRO 82 HA PRO 82 7.463 -8.799 0.296
614 1HB PRO 82 2HB PRO 82 6.012 -6.324 0.983
615 2HB PRO 82 1HB PRO 82 6.930 -7.412 2.026
616 1HG PRO 82 2HG PRO 82 7.841 -4.963 1.386
617 2HG PRO 82 1HG PRO 82 8.936 -6.343 1.601
618 1HD PRO 82 2HD PRO 82 7.922 -5.105 -0.938
619 2HD PRO 82 1HD PRO 82 9.554 -5.687 -0.544
620 H HIS 83 H HIS 83 5.674 -9.943 -0.132
621 HA HIS 83 HA HIS 83 3.474 -8.680 -1.653
622 1HB HIS 83 2HB HIS 83 4.594 -11.477 -1.837
623 2HB HIS 83 1HB HIS 83 2.963 -11.107 -2.382
624 HD1 HIS 83 HD1 HIS 83 5.951 -11.745 -3.911
625 HD2 HIS 83 HD2 HIS 83 3.375 -8.490 -4.145
626 HE1 HIS 83 HE1 HIS 83 6.428 -10.669 -6.119
627 HE2 HIS 83 HE2 HIS 83 4.656 -8.909 -6.348
628 H LEU 84 H LEU 84 1.319 -9.341 -1.139
629 HA LEU 84 HA LEU 84 1.010 -10.690 1.477
630 1HB LEU 84 2HB LEU 84 0.539 -8.204 1.476
631 2HB LEU 84 1HB LEU 84 -0.796 -8.528 0.389
632 HG LEU 84 HG LEU 84 -1.785 -10.014 2.166
633 1HD1 LEU 84 1HD1 LEU 84 -0.979 -9.743 4.459
634 2HD1 LEU 84 2HD1 LEU 84 0.372 -8.772 3.871
635 3HD1 LEU 84 3HD1 LEU 84 0.245 -10.471 3.422
636 1HD2 LEU 84 1HD2 LEU 84 -1.356 -7.108 2.872
637 2HD2 LEU 84 2HD2 LEU 84 -2.619 -8.149 3.533
638 3HD2 LEU 84 3HD2 LEU 84 -2.612 -7.755 1.815
639 H TYR 85 H TYR 85 -0.624 -12.222 1.660
640 HA TYR 85 HA TYR 85 -1.514 -13.363 -0.836
641 1HB TYR 85 2HB TYR 85 -1.896 -14.279 2.016
642 2HB TYR 85 1HB TYR 85 -2.429 -15.189 0.610
643 HD1 TYR 85 HD2 TYR 85 0.403 -13.999 -0.729
644 HD2 TYR 85 HD1 TYR 85 -0.748 -16.505 2.524
645 HE1 TYR 85 HE2 TYR 85 2.582 -15.132 -0.828
646 HE2 TYR 85 HE1 TYR 85 1.427 -17.638 2.426
647 HH TYR 85 HH TYR 85 3.212 -18.047 0.794
648 H ARG 86 H ARG 86 -3.263 -12.523 2.145
649 HA ARG 86 HA ARG 86 -5.836 -12.899 0.959
650 1HB ARG 86 2HB ARG 86 -5.286 -11.368 3.501
651 2HB ARG 86 1HB ARG 86 -6.758 -12.217 3.051
652 1HG ARG 86 2HG ARG 86 -5.602 -14.354 3.257
653 2HG ARG 86 1HG ARG 86 -4.107 -13.513 3.664
654 1HD ARG 86 2HD ARG 86 -6.534 -13.991 5.310
655 2HD ARG 86 1HD ARG 86 -4.837 -13.991 5.777
656 HE ARG 86 HE ARG 86 -6.658 -11.796 5.898
657 1HH1 ARG 86 1HH1 ARG 86 -3.314 -12.544 5.480
658 2HH1 ARG 86 2HH1 ARG 86 -2.794 -11.039 6.154
659 1HH2 ARG 86 1HH2 ARG 86 -5.974 -9.883 6.761
660 2HH2 ARG 86 2HH2 ARG 86 -4.286 -9.527 6.864
661 HA PRO 87 HA PRO 87 -6.921 -8.757 -0.531
662 1HB PRO 87 2HB PRO 87 -9.469 -9.247 0.954
663 2HB PRO 87 1HB PRO 87 -9.223 -8.743 -0.723
664 1HG PRO 87 2HG PRO 87 -9.956 -11.241 -0.167
665 2HG PRO 87 1HG PRO 87 -8.768 -10.913 -1.446
666 1HD PRO 87 2HD PRO 87 -8.324 -11.915 1.345
667 2HD PRO 87 1HD PRO 87 -7.526 -12.401 -0.167
668 H LEU 88 H LEU 88 -6.057 -7.020 0.471
669 HA LEU 88 HA LEU 88 -5.566 -7.003 3.250
670 1HB LEU 88 2HB LEU 88 -4.344 -5.841 1.206
671 2HB LEU 88 1HB LEU 88 -5.376 -4.493 1.631
672 HG LEU 88 HG LEU 88 -3.523 -5.825 3.617
673 1HD1 LEU 88 1HD1 LEU 88 -1.985 -3.968 3.273
674 2HD1 LEU 88 2HD1 LEU 88 -2.998 -3.351 1.968
675 3HD1 LEU 88 3HD1 LEU 88 -2.185 -4.908 1.795
676 1HD2 LEU 88 1HD2 LEU 88 -5.047 -3.221 3.634
677 2HD2 LEU 88 2HD2 LEU 88 -3.808 -3.659 4.815
678 3HD2 LEU 88 3HD2 LEU 88 -5.285 -4.615 4.692
679 H LEU 89 H LEU 89 -6.949 -6.541 4.825
680 HA LEU 89 HA LEU 89 -9.409 -5.114 4.349
681 1HB LEU 89 2HB LEU 89 -8.229 -6.036 6.977
682 2HB LEU 89 1HB LEU 89 -9.895 -5.570 6.687
683 HG LEU 89 HG LEU 89 -8.507 -8.005 5.545
684 1HD1 LEU 89 1HD1 LEU 89 -10.018 -9.281 6.965
685 2HD1 LEU 89 2HD1 LEU 89 -10.696 -7.788 7.614
686 3HD1 LEU 89 3HD1 LEU 89 -9.011 -8.202 7.931
687 1HD2 LEU 89 1HD2 LEU 89 -10.740 -8.622 4.698
688 2HD2 LEU 89 2HD2 LEU 89 -10.117 -7.154 3.949
689 3HD2 LEU 89 3HD2 LEU 89 -11.354 -7.045 5.203
690 H VAL 90 H VAL 90 -9.797 -2.978 4.673
691 HA VAL 90 HA VAL 90 -7.721 -1.142 5.131
692 HB VAL 90 HB VAL 90 -10.710 -0.718 5.376
693 1HG1 VAL 90 1HG1 VAL 90 -10.198 1.684 5.046
694 2HG1 VAL 90 2HG1 VAL 90 -8.479 1.315 5.186
695 3HG1 VAL 90 3HG1 VAL 90 -9.551 1.055 6.561
696 1HG2 VAL 90 1HG2 VAL 90 -8.805 -0.183 3.090
697 2HG2 VAL 90 2HG2 VAL 90 -10.530 0.184 3.105
698 3HG2 VAL 90 3HG2 VAL 90 -9.985 -1.491 3.169
699 H SER 91 H SER 91 -10.020 -2.605 7.368
700 HA SER 91 HA SER 91 -9.430 -1.017 9.633
701 1HB SER 91 2HB SER 91 -10.384 -2.921 10.938
702 2HB SER 91 1HB SER 91 -11.411 -2.423 9.593
703 HG SER 91 HG SER 91 -10.721 -4.820 10.025
704 H GLU 92 H GLU 92 -7.781 -3.725 8.178
705 HA GLU 92 HA GLU 92 -6.069 -4.297 10.409
706 1HB GLU 92 2HB GLU 92 -6.660 -5.974 8.680
707 2HB GLU 92 1HB GLU 92 -5.767 -5.045 7.486
708 1HG GLU 92 2HG GLU 92 -3.689 -5.543 8.514
709 2HG GLU 92 1HG GLU 92 -4.472 -6.171 9.964
710 H VAL 93 H VAL 93 -6.046 -1.966 7.862
711 HA VAL 93 HA VAL 93 -3.261 -1.333 7.882
712 HB VAL 93 HB VAL 93 -5.586 0.465 7.141
713 1HG1 VAL 93 1HG1 VAL 93 -3.519 1.705 7.505
714 2HG1 VAL 93 2HG1 VAL 93 -3.934 1.684 5.791
715 3HG1 VAL 93 3HG1 VAL 93 -2.660 0.627 6.402
716 1HG2 VAL 93 1HG2 VAL 93 -5.200 -0.241 4.831
717 2HG2 VAL 93 2HG2 VAL 93 -5.630 -1.615 5.850
718 3HG2 VAL 93 3HG2 VAL 93 -3.949 -1.361 5.372
719 H THR 94 H THR 94 -2.163 -0.426 9.539
720 HA THR 94 HA THR 94 -3.478 0.715 11.792
721 HB THR 94 HB THR 94 -1.163 1.163 12.586
722 HG1 THR 94 HG1 THR 94 0.351 1.274 11.133
723 1HG2 THR 94 1HG2 THR 94 -2.229 -0.996 13.047
724 2HG2 THR 94 2HG2 THR 94 -0.491 -1.182 12.815
725 3HG2 THR 94 3HG2 THR 94 -1.606 -1.625 11.522
726 H ARG 95 H ARG 95 -1.059 2.154 9.540
727 HA ARG 95 HA ARG 95 -2.200 4.804 10.222
728 1HB ARG 95 2HB ARG 95 0.032 4.319 11.212
729 2HB ARG 95 1HB ARG 95 0.683 4.184 9.592
730 1HG ARG 95 2HG ARG 95 1.200 6.340 10.575
731 2HG ARG 95 1HG ARG 95 0.155 6.522 9.166
732 1HD ARG 95 2HD ARG 95 -1.598 7.296 10.399
733 2HD ARG 95 1HD ARG 95 -1.204 6.287 11.790
734 HE ARG 95 HE ARG 95 0.325 7.912 12.515
735 1HH1 ARG 95 1HH1 ARG 95 -1.322 8.928 9.649
736 2HH1 ARG 95 2HH1 ARG 95 -0.955 10.596 9.922
737 1HH2 ARG 95 1HH2 ARG 95 0.786 10.034 12.830
738 2HH2 ARG 95 2HH2 ARG 95 0.223 11.213 11.690
739 H GLU 96 H GLU 96 -2.490 6.282 8.671
740 HA GLU 96 HA GLU 96 -1.622 5.732 5.911
741 1HB GLU 96 2HB GLU 96 -3.764 6.527 5.039
742 2HB GLU 96 1HB GLU 96 -4.023 5.154 6.105
743 1HG GLU 96 2HG GLU 96 -4.723 6.650 7.899
744 2HG GLU 96 1HG GLU 96 -4.404 8.046 6.875
745 H ALA 97 H ALA 97 -1.096 7.593 4.670
746 HA ALA 97 HA ALA 97 -1.610 10.247 5.752
747 1HB ALA 97 1HB ALA 97 0.727 10.938 5.814
748 2HB ALA 97 2HB ALA 97 1.237 9.306 5.374
749 3HB ALA 97 3HB ALA 97 0.444 9.596 6.923
750 H ASP 98 H ASP 98 -1.734 11.804 4.166
751 HA ASP 98 HA ASP 98 -1.425 10.970 1.402
752 1HB ASP 98 2HB ASP 98 -3.353 12.370 2.267
753 2HB ASP 98 1HB ASP 98 -2.219 13.706 2.435
754 H LEU 99 H LEU 99 0.291 11.413 0.122
755 HA LEU 99 HA LEU 99 2.546 12.831 1.317
756 1HB LEU 99 2HB LEU 99 2.367 11.166 -1.195
757 2HB LEU 99 1HB LEU 99 3.842 11.882 -0.569
758 HG LEU 99 HG LEU 99 2.185 9.762 0.817
759 1HD1 LEU 99 1HD1 LEU 99 4.906 9.574 -0.477
760 2HD1 LEU 99 2HD1 LEU 99 3.404 8.942 -1.152
761 3HD1 LEU 99 3HD1 LEU 99 4.043 8.276 0.349
762 1HD2 LEU 99 1HD2 LEU 99 3.252 11.249 2.434
763 2HD2 LEU 99 2HD2 LEU 99 4.808 11.030 1.631
764 3HD2 LEU 99 3HD2 LEU 99 4.029 9.667 2.435
765 H ASP 100 H ASP 100 2.839 14.918 0.928
766 HA ASP 100 HA ASP 100 1.871 16.210 -1.472
767 1HB ASP 100 2HB ASP 100 3.478 17.217 0.887
768 2HB ASP 100 1HB ASP 100 2.999 18.237 -0.467
769 H LEU 101 H LEU 101 3.266 17.395 -2.957
770 HA LEU 101 HA LEU 101 6.053 16.601 -3.082
771 1HB LEU 101 2HB LEU 101 5.782 15.706 -5.424
772 2HB LEU 101 1HB LEU 101 5.184 14.693 -4.129
773 HG LEU 101 HG LEU 101 2.862 15.745 -4.691
774 1HD1 LEU 101 1HD1 LEU 101 2.574 16.345 -7.042
775 2HD1 LEU 101 2HD1 LEU 101 4.319 16.246 -7.286
776 3HD1 LEU 101 3HD1 LEU 101 3.645 17.475 -6.214
777 1HD2 LEU 101 1HD2 LEU 101 4.181 13.768 -6.552
778 2HD2 LEU 101 2HD2 LEU 101 2.444 13.982 -6.325
779 3HD2 LEU 101 3HD2 LEU 101 3.440 13.396 -4.994
780 H ASP 102 H ASP 102 7.321 17.783 -4.514
781 HA ASP 102 HA ASP 102 6.147 20.360 -5.297
782 1HB ASP 102 2HB ASP 102 9.053 19.562 -4.996
783 2HB ASP 102 1HB ASP 102 8.450 21.189 -5.298
784 H ALA 103 H ALA 103 7.810 21.312 -7.146
785 HA ALA 103 HA ALA 103 6.995 20.044 -9.550
786 1HB ALA 103 1HB ALA 103 9.052 22.223 -9.170
787 2HB ALA 103 2HB ALA 103 7.314 22.473 -9.332
788 3HB ALA 103 3HB ALA 103 8.237 21.803 -10.677
789 H ASP 104 H ASP 104 9.233 18.848 -7.551
790 HA ASP 104 HA ASP 104 11.295 18.181 -9.482
791 1HB ASP 104 2HB ASP 104 11.734 18.645 -7.025
792 2HB ASP 104 1HB ASP 104 10.930 17.122 -6.662
793 H GLY 105 H GLY 105 8.237 17.059 -8.674
794 1HA GLY 105 2HA GLY 105 7.042 15.207 -9.337
795 2HA GLY 105 1HA GLY 105 8.445 14.693 -10.254
796 H VAL 106 H VAL 106 8.306 15.289 -6.768
797 HA VAL 106 HA VAL 106 8.604 12.411 -6.236
798 HB VAL 106 HB VAL 106 10.508 14.569 -5.278
799 1HG1 VAL 106 1HG1 VAL 106 10.055 13.074 -3.423
800 2HG1 VAL 106 2HG1 VAL 106 11.674 12.769 -4.048
801 3HG1 VAL 106 3HG1 VAL 106 10.355 11.665 -4.441
802 1HG2 VAL 106 1HG2 VAL 106 12.227 13.209 -6.391
803 2HG2 VAL 106 2HG2 VAL 106 10.995 13.760 -7.525
804 3HG2 VAL 106 3HG2 VAL 106 10.981 12.091 -6.951
805 HA PRO 107 HA PRO 107 5.907 13.688 -2.763
806 1HB PRO 107 2HB PRO 107 5.466 11.107 -1.940
807 2HB PRO 107 1HB PRO 107 4.506 11.911 -3.187
808 1HG PRO 107 2HG PRO 107 6.787 9.992 -3.498
809 2HG PRO 107 1HG PRO 107 5.259 10.069 -4.396
810 1HD PRO 107 2HD PRO 107 7.573 11.028 -5.410
811 2HD PRO 107 1HD PRO 107 6.005 11.787 -5.762
812 H GLN 108 H GLN 108 7.407 14.591 -1.387
813 HA GLN 108 HA GLN 108 9.825 13.196 -0.737
814 1HB GLN 108 2HB GLN 108 8.835 15.845 0.339
815 2HB GLN 108 1HB GLN 108 10.485 15.230 0.421
816 1HG GLN 108 2HG GLN 108 10.495 15.189 -2.090
817 2HG GLN 108 1HG GLN 108 8.949 16.032 -2.043
818 1HE2 GLN 108 1HE2 GLN 108 11.435 16.900 -3.196
819 2HE2 GLN 108 2HE2 GLN 108 11.850 18.374 -2.408
820 H LEU 109 H LEU 109 9.067 11.371 0.377
821 HA LEU 109 HA LEU 109 7.999 11.787 3.069
822 1HB LEU 109 2HB LEU 109 7.837 9.263 3.084
823 2HB LEU 109 1HB LEU 109 6.820 10.101 1.933
824 HG LEU 109 HG LEU 109 8.542 9.564 0.162
825 1HD1 LEU 109 1HD1 LEU 109 10.465 9.101 1.541
826 2HD1 LEU 109 2HD1 LEU 109 10.049 7.662 0.615
827 3HD1 LEU 109 3HD1 LEU 109 9.626 7.764 2.326
828 1HD2 LEU 109 1HD2 LEU 109 7.753 7.273 -0.146
829 2HD2 LEU 109 2HD2 LEU 109 6.443 8.339 0.359
830 3HD2 LEU 109 3HD2 LEU 109 7.180 7.239 1.524
831 H GLY 110 H GLY 110 10.980 11.950 1.847
832 1HA GLY 110 2HA GLY 110 12.583 10.178 3.300
833 2HA GLY 110 1HA GLY 110 13.089 11.759 2.733
834 H ASP 111 H ASP 111 10.970 13.085 4.404
835 HA ASP 111 HA ASP 111 12.413 13.260 6.887
836 1HB ASP 111 2HB ASP 111 9.731 14.433 6.105
837 2HB ASP 111 1HB ASP 111 10.677 14.887 7.522
838 H HIS 112 H HIS 112 10.054 11.168 5.736
839 HA HIS 112 HA HIS 112 8.967 10.513 8.384
840 1HB HIS 112 2HB HIS 112 8.172 9.557 5.618
841 2HB HIS 112 1HB HIS 112 7.397 9.044 7.109
842 HD1 HIS 112 HD1 HIS 112 6.459 11.290 8.559
843 HD2 HIS 112 HD2 HIS 112 6.841 11.576 4.430
844 HE1 HIS 112 HE1 HIS 112 4.990 13.202 7.882
845 HE2 HIS 112 HE2 HIS 112 5.398 13.488 5.424
846 H LEU 113 H LEU 113 10.617 8.976 5.626
847 HA LEU 113 HA LEU 113 11.062 6.551 7.221
848 1HB LEU 113 2HB LEU 113 11.744 6.939 4.307
849 2HB LEU 113 1HB LEU 113 11.563 5.429 5.179
850 HG LEU 113 HG LEU 113 9.399 7.313 4.256
851 1HD1 LEU 113 1HD1 LEU 113 10.174 5.695 2.622
852 2HD1 LEU 113 2HD1 LEU 113 8.534 5.314 3.143
853 3HD1 LEU 113 3HD1 LEU 113 9.895 4.377 3.763
854 1HD2 LEU 113 1HD2 LEU 113 8.811 6.729 6.523
855 2HD2 LEU 113 2HD2 LEU 113 9.105 5.020 6.197
856 3HD2 LEU 113 3HD2 LEU 113 7.774 5.857 5.396
857 H ALA 114 H ALA 114 13.256 5.471 6.874
858 HA ALA 114 HA ALA 114 15.464 5.451 7.407
859 1HB ALA 114 1HB ALA 114 15.586 7.912 5.659
860 2HB ALA 114 2HB ALA 114 15.684 6.243 5.099
861 3HB ALA 114 3HB ALA 114 16.952 6.899 6.133
862 H LEU 115 H LEU 115 15.498 5.793 9.580
863 HA LEU 115 HA LEU 115 15.124 8.490 10.643
864 1HB LEU 115 2HB LEU 115 13.883 6.633 11.645
865 2HB LEU 115 1HB LEU 115 15.387 5.823 12.044
866 HG LEU 115 HG LEU 115 15.960 7.695 13.579
867 1HD1 LEU 115 1HD1 LEU 115 14.228 9.307 14.215
868 2HD1 LEU 115 2HD1 LEU 115 13.178 8.686 12.940
869 3HD1 LEU 115 3HD1 LEU 115 14.695 9.485 12.524
870 1HD2 LEU 115 1HD2 LEU 115 13.296 6.376 14.130
871 2HD2 LEU 115 2HD2 LEU 115 14.360 7.099 15.337
872 3HD2 LEU 115 3HD2 LEU 115 14.884 5.676 14.439
873 H GLU 116 H GLU 116 16.675 9.716 11.562
874 HA GLU 116 HA GLU 116 19.286 8.474 12.169
875 1HB GLU 116 2HB GLU 116 19.566 9.865 10.206
876 2HB GLU 116 1HB GLU 116 18.770 11.218 10.997
877 1HG GLU 116 2HG GLU 116 20.592 11.429 12.568
878 2HG GLU 116 1HG GLU 116 21.370 9.992 11.907
Start of MODEL 18
1 1H MET 1 1H MET 1 9.645 -3.486 16.517
2 2H MET 1 2H MET 1 9.564 -1.999 15.718
3 3H MET 1 3H MET 1 10.851 -3.054 15.414
4 HA MET 1 HA MET 1 9.379 -4.660 14.425
5 1HB MET 1 2HB MET 1 7.230 -2.581 14.934
6 2HB MET 1 1HB MET 1 7.014 -4.065 14.017
7 1HG MET 1 2HG MET 1 7.475 -5.379 16.024
8 2HG MET 1 1HG MET 1 7.690 -3.889 16.948
9 1HE MET 1 1HE MET 1 4.267 -5.183 18.321
10 2HE MET 1 2HE MET 1 5.851 -4.537 18.756
11 3HE MET 1 3HE MET 1 5.728 -6.098 17.943
12 H THR 2 H THR 2 9.365 -4.653 12.195
13 HA THR 2 HA THR 2 10.222 -2.251 10.838
14 HB THR 2 HB THR 2 10.218 -3.631 8.786
15 HG1 THR 2 HG1 THR 2 9.597 -5.810 8.914
16 1HG2 THR 2 1HG2 THR 2 12.189 -3.686 10.249
17 2HG2 THR 2 2HG2 THR 2 11.938 -5.242 9.457
18 3HG2 THR 2 3HG2 THR 2 11.487 -5.031 11.149
19 H LEU 3 H LEU 3 9.110 -1.297 9.013
20 HA LEU 3 HA LEU 3 6.172 -1.406 9.318
21 1HB LEU 3 2HB LEU 3 7.883 0.901 8.374
22 2HB LEU 3 1HB LEU 3 6.141 0.927 8.579
23 HG LEU 3 HG LEU 3 8.184 0.630 10.791
24 1HD1 LEU 3 1HD1 LEU 3 8.120 2.878 9.847
25 2HD1 LEU 3 2HD1 LEU 3 7.445 2.856 11.476
26 3HD1 LEU 3 3HD1 LEU 3 6.372 2.936 10.079
27 1HD2 LEU 3 1HD2 LEU 3 5.171 0.808 10.933
28 2HD2 LEU 3 2HD2 LEU 3 6.268 0.847 12.312
29 3HD2 LEU 3 3HD2 LEU 3 6.154 -0.605 11.320
30 H ILE 4 H ILE 4 4.974 -1.962 7.600
31 HA ILE 4 HA ILE 4 6.229 -1.977 4.931
32 HB ILE 4 HB ILE 4 4.364 -3.457 4.237
33 1HG1 ILE 4 2HG1 ILE 4 3.672 -3.442 7.192
34 2HG1 ILE 4 1HG1 ILE 4 2.682 -2.782 5.896
35 1HG2 ILE 4 1HG2 ILE 4 6.507 -4.401 4.891
36 2HG2 ILE 4 2HG2 ILE 4 5.194 -5.467 5.388
37 3HG2 ILE 4 3HG2 ILE 4 5.997 -4.444 6.579
38 1HD1 ILE 4 1HD1 ILE 4 1.810 -4.907 6.615
39 2HD1 ILE 4 2HD1 ILE 4 3.368 -5.680 6.329
40 3HD1 ILE 4 3HD1 ILE 4 2.433 -5.049 4.972
41 H TYR 5 H TYR 5 5.126 -1.066 3.137
42 HA TYR 5 HA TYR 5 3.079 0.930 3.863
43 1HB TYR 5 2HB TYR 5 5.449 1.468 2.059
44 2HB TYR 5 1HB TYR 5 4.236 2.630 2.586
45 HD1 TYR 5 HD1 TYR 5 7.226 0.750 3.553
46 HD2 TYR 5 HD2 TYR 5 4.311 3.566 4.846
47 HE1 TYR 5 HE1 TYR 5 8.654 1.343 5.461
48 HE2 TYR 5 HE2 TYR 5 5.733 4.166 6.760
49 HH TYR 5 HH TYR 5 8.988 3.221 6.987
50 H LYS 6 H LYS 6 1.921 1.843 2.032
51 HA LYS 6 HA LYS 6 2.242 0.660 -0.587
52 1HB LYS 6 2HB LYS 6 0.792 -1.004 0.446
53 2HB LYS 6 1HB LYS 6 -0.321 0.251 0.973
54 1HG LYS 6 2HG LYS 6 -0.918 0.753 -1.315
55 2HG LYS 6 1HG LYS 6 0.287 -0.388 -1.913
56 1HD LYS 6 2HD LYS 6 -2.042 -1.173 -0.156
57 2HD LYS 6 1HD LYS 6 -2.079 -1.242 -1.918
58 1HE LYS 6 2HE LYS 6 -0.138 -2.727 -0.142
59 2HE LYS 6 1HE LYS 6 -1.560 -3.429 -0.914
60 1HZ LYS 6 1HZ LYS 6 0.423 -3.909 -2.184
61 2HZ LYS 6 2HZ LYS 6 0.791 -2.267 -2.313
62 3HZ LYS 6 3HZ LYS 6 -0.583 -2.886 -3.075
63 H ILE 7 H ILE 7 2.411 2.513 -1.687
64 HA ILE 7 HA ILE 7 0.715 4.800 -1.074
65 HB ILE 7 HB ILE 7 2.867 4.529 -3.195
66 1HG1 ILE 7 2HG1 ILE 7 3.006 5.765 -0.424
67 2HG1 ILE 7 1HG1 ILE 7 3.742 4.237 -0.897
68 1HG2 ILE 7 1HG2 ILE 7 2.820 6.973 -3.273
69 2HG2 ILE 7 2HG2 ILE 7 1.526 6.999 -2.074
70 3HG2 ILE 7 3HG2 ILE 7 1.234 6.307 -3.670
71 1HD1 ILE 7 1HD1 ILE 7 4.454 6.948 -1.999
72 2HD1 ILE 7 2HD1 ILE 7 5.201 5.415 -2.454
73 3HD1 ILE 7 3HD1 ILE 7 5.376 6.031 -0.810
74 H LEU 8 H LEU 8 -0.943 5.541 -2.325
75 HA LEU 8 HA LEU 8 -1.487 4.404 -4.940
76 1HB LEU 8 2HB LEU 8 -3.624 3.461 -4.412
77 2HB LEU 8 1HB LEU 8 -2.435 2.749 -3.341
78 HG LEU 8 HG LEU 8 -4.377 4.945 -2.559
79 1HD1 LEU 8 1HD1 LEU 8 -5.543 2.849 -2.964
80 2HD1 LEU 8 2HD1 LEU 8 -5.501 3.210 -1.241
81 3HD1 LEU 8 3HD1 LEU 8 -4.415 1.995 -1.911
82 1HD2 LEU 8 1HD2 LEU 8 -3.651 4.469 -0.261
83 2HD2 LEU 8 2HD2 LEU 8 -2.320 5.055 -1.255
84 3HD2 LEU 8 3HD2 LEU 8 -2.445 3.337 -0.876
85 H SER 9 H SER 9 -3.496 5.371 -5.921
86 HA SER 9 HA SER 9 -3.591 8.207 -5.438
87 1HB SER 9 2HB SER 9 -3.848 7.426 -7.720
88 2HB SER 9 1HB SER 9 -5.243 6.446 -7.269
89 HG SER 9 HG SER 9 -5.376 8.825 -8.184
90 H ARG 10 H ARG 10 -5.397 9.441 -4.775
91 HA ARG 10 HA ARG 10 -6.779 8.503 -2.539
92 1HB ARG 10 2HB ARG 10 -6.364 10.914 -3.189
93 2HB ARG 10 1HB ARG 10 -7.699 10.765 -4.323
94 1HG ARG 10 2HG ARG 10 -8.467 11.822 -2.301
95 2HG ARG 10 1HG ARG 10 -9.205 10.226 -2.446
96 1HD ARG 10 2HD ARG 10 -7.432 9.341 -0.924
97 2HD ARG 10 1HD ARG 10 -6.865 10.995 -0.698
98 HE ARG 10 HE ARG 10 -9.635 10.293 -0.030
99 1HH1 ARG 10 1HH1 ARG 10 -6.496 11.382 0.943
100 2HH1 ARG 10 2HH1 ARG 10 -7.025 11.796 2.534
101 1HH2 ARG 10 1HH2 ARG 10 -10.274 10.817 2.025
102 2HH2 ARG 10 2HH2 ARG 10 -9.132 11.489 3.132
103 H ALA 11 H ALA 11 -7.728 8.591 -5.932
104 HA ALA 11 HA ALA 11 -10.419 7.868 -5.733
105 1HB ALA 11 1HB ALA 11 -10.172 7.016 -8.029
106 2HB ALA 11 2HB ALA 11 -8.420 7.124 -7.869
107 3HB ALA 11 3HB ALA 11 -9.399 8.588 -7.824
108 H GLU 12 H GLU 12 -7.508 5.876 -5.634
109 HA GLU 12 HA GLU 12 -8.903 3.365 -5.645
110 1HB GLU 12 2HB GLU 12 -6.041 4.009 -4.869
111 2HB GLU 12 1HB GLU 12 -6.683 2.397 -5.162
112 1HG GLU 12 2HG GLU 12 -7.097 2.945 -7.487
113 2HG GLU 12 1HG GLU 12 -6.570 4.604 -7.215
114 H TRP 13 H TRP 13 -7.527 5.477 -3.149
115 HA TRP 13 HA TRP 13 -7.864 3.662 -0.991
116 1HB TRP 13 2HB TRP 13 -6.274 5.523 -0.909
117 2HB TRP 13 1HB TRP 13 -7.600 6.677 -0.975
118 HD1 TRP 13 HD1 TRP 13 -7.504 7.798 1.320
119 HE1 TRP 13 HE1 TRP 13 -7.572 6.994 3.774
120 HE3 TRP 13 HE3 TRP 13 -7.222 2.754 0.534
121 HZ2 TRP 13 HZ2 TRP 13 -7.518 4.552 5.173
122 HZ3 TRP 13 HZ3 TRP 13 -7.240 1.252 2.484
123 HH2 TRP 13 HH2 TRP 13 -7.385 2.135 4.757
124 H ASP 14 H ASP 14 -9.839 6.485 -2.020
125 HA ASP 14 HA ASP 14 -11.883 6.127 -0.125
126 1HB ASP 14 2HB ASP 14 -11.788 7.482 -2.805
127 2HB ASP 14 1HB ASP 14 -13.313 7.346 -1.932
128 H ALA 15 H ALA 15 -11.481 4.710 -3.349
129 HA ALA 15 HA ALA 15 -13.910 3.318 -3.498
130 1HB ALA 15 1HB ALA 15 -12.372 3.499 -5.391
131 2HB ALA 15 2HB ALA 15 -12.776 1.815 -5.063
132 3HB ALA 15 3HB ALA 15 -11.213 2.461 -4.559
133 H ALA 16 H ALA 16 -10.791 2.336 -2.101
134 HA ALA 16 HA ALA 16 -11.481 -0.203 -1.176
135 1HB ALA 16 1HB ALA 16 -9.596 1.776 0.107
136 2HB ALA 16 2HB ALA 16 -9.189 0.672 -1.205
137 3HB ALA 16 3HB ALA 16 -9.620 0.034 0.382
138 H LYS 17 H LYS 17 -11.599 2.887 0.623
139 HA LYS 17 HA LYS 17 -12.749 1.842 2.969
140 1HB LYS 17 2HB LYS 17 -12.897 4.651 1.849
141 2HB LYS 17 1HB LYS 17 -13.351 4.201 3.488
142 1HG LYS 17 2HG LYS 17 -11.030 3.413 3.869
143 2HG LYS 17 1HG LYS 17 -10.602 4.000 2.263
144 1HD LYS 17 2HD LYS 17 -11.710 5.732 4.480
145 2HD LYS 17 1HD LYS 17 -9.995 5.551 4.124
146 1HE LYS 17 2HE LYS 17 -10.557 7.524 3.030
147 2HE LYS 17 1HE LYS 17 -10.628 6.328 1.740
148 1HZ LYS 17 1HZ LYS 17 -12.963 7.373 3.248
149 2HZ LYS 17 2HZ LYS 17 -13.026 6.263 1.976
150 3HZ LYS 17 3HZ LYS 17 -12.512 7.847 1.687
151 H ALA 18 H ALA 18 -14.203 2.809 -0.058
152 HA ALA 18 HA ALA 18 -16.900 2.946 0.819
153 1HB ALA 18 1HB ALA 18 -16.154 3.899 -1.311
154 2HB ALA 18 2HB ALA 18 -17.488 2.770 -1.543
155 3HB ALA 18 3HB ALA 18 -15.837 2.278 -1.930
156 H GLN 19 H GLN 19 -15.098 0.297 -0.790
157 HA GLN 19 HA GLN 19 -17.234 -1.584 -0.169
158 1HB GLN 19 2HB GLN 19 -15.808 -3.242 -1.354
159 2HB GLN 19 1HB GLN 19 -16.240 -1.846 -2.328
160 1HG GLN 19 2HG GLN 19 -14.003 -0.898 -1.928
161 2HG GLN 19 1HG GLN 19 -13.584 -2.325 -0.979
162 1HE2 GLN 19 1HE2 GLN 19 -11.901 -2.888 -2.384
163 2HE2 GLN 19 2HE2 GLN 19 -12.193 -3.526 -3.961
164 H GLY 20 H GLY 20 -14.848 -0.341 1.662
165 1HA GLY 20 2HA GLY 20 -14.172 -0.929 3.784
166 2HA GLY 20 1HA GLY 20 -15.125 -2.396 3.640
167 H ARG 21 H ARG 21 -13.133 -2.365 1.006
168 HA ARG 21 HA ARG 21 -10.774 -3.465 2.326
169 1HB ARG 21 2HB ARG 21 -10.911 -5.605 1.086
170 2HB ARG 21 1HB ARG 21 -12.230 -5.404 2.233
171 1HG ARG 21 2HG ARG 21 -13.673 -4.654 0.321
172 2HG ARG 21 1HG ARG 21 -12.357 -5.102 -0.767
173 1HD ARG 21 2HD ARG 21 -13.965 -6.909 -0.651
174 2HD ARG 21 1HD ARG 21 -12.456 -7.410 0.113
175 HE ARG 21 HE ARG 21 -14.564 -6.359 1.838
176 1HH1 ARG 21 1HH1 ARG 21 -12.871 -9.111 0.641
177 2HH1 ARG 21 2HH1 ARG 21 -13.411 -10.131 1.931
178 1HH2 ARG 21 1HH2 ARG 21 -15.264 -7.667 3.461
179 2HH2 ARG 21 2HH2 ARG 21 -14.763 -9.324 3.513
180 H PHE 22 H PHE 22 -8.939 -3.593 0.984
181 HA PHE 22 HA PHE 22 -9.219 -2.209 -1.604
182 1HB PHE 22 2HB PHE 22 -7.858 -0.978 0.028
183 2HB PHE 22 1HB PHE 22 -6.793 -2.372 0.208
184 HD1 PHE 22 HD1 PHE 22 -8.137 -0.109 -2.455
185 HD2 PHE 22 HD2 PHE 22 -4.853 -2.449 -1.064
186 HE1 PHE 22 HE1 PHE 22 -6.770 0.699 -4.331
187 HE2 PHE 22 HE2 PHE 22 -3.483 -1.635 -2.940
188 HZ PHE 22 HZ PHE 22 -4.440 -0.062 -4.575
189 H GLU 23 H GLU 23 -8.642 -3.182 -3.418
190 HA GLU 23 HA GLU 23 -7.189 -5.745 -3.300
191 1HB GLU 23 2HB GLU 23 -8.941 -4.572 -5.482
192 2HB GLU 23 1HB GLU 23 -8.143 -6.140 -5.560
193 1HG GLU 23 2HG GLU 23 -9.482 -6.998 -3.779
194 2HG GLU 23 1HG GLU 23 -10.128 -5.399 -3.419
195 H GLY 24 H GLY 24 -5.222 -5.937 -4.233
196 1HA GLY 24 2HA GLY 24 -3.547 -3.782 -4.469
197 2HA GLY 24 1HA GLY 24 -3.223 -5.338 -5.204
198 H SER 25 H SER 25 -4.349 -5.675 -7.365
199 HA SER 25 HA SER 25 -5.197 -3.597 -9.021
200 1HB SER 25 2HB SER 25 -2.925 -2.665 -8.727
201 2HB SER 25 1HB SER 25 -2.223 -4.179 -9.294
202 HG SER 25 HG SER 25 -3.593 -2.185 -10.718
203 H ALA 26 H ALA 26 -5.327 -4.284 -11.311
204 HA ALA 26 HA ALA 26 -6.059 -6.960 -11.619
205 1HB ALA 26 1HB ALA 26 -6.107 -6.510 -14.030
206 2HB ALA 26 2HB ALA 26 -5.210 -5.012 -13.770
207 3HB ALA 26 3HB ALA 26 -6.835 -5.193 -13.111
208 H VAL 27 H VAL 27 -3.098 -5.385 -12.891
209 HA VAL 27 HA VAL 27 -1.825 -7.762 -13.722
210 HB VAL 27 HB VAL 27 -1.122 -5.532 -14.501
211 1HG1 VAL 27 1HG1 VAL 27 0.297 -4.105 -13.084
212 2HG1 VAL 27 2HG1 VAL 27 -0.006 -5.175 -11.716
213 3HG1 VAL 27 3HG1 VAL 27 -1.337 -4.268 -12.437
214 1HG2 VAL 27 1HG2 VAL 27 1.306 -5.913 -14.431
215 2HG2 VAL 27 2HG2 VAL 27 0.422 -7.408 -14.732
216 3HG2 VAL 27 3HG2 VAL 27 1.083 -7.083 -13.130
217 H ASP 28 H ASP 28 -1.913 -6.157 -10.598
218 HA ASP 28 HA ASP 28 0.242 -7.473 -9.336
219 1HB ASP 28 2HB ASP 28 -1.170 -5.421 -8.566
220 2HB ASP 28 1HB ASP 28 -2.270 -6.615 -7.889
221 H LEU 29 H LEU 29 -3.257 -8.152 -9.046
222 HA LEU 29 HA LEU 29 -2.952 -10.653 -7.773
223 1HB LEU 29 2HB LEU 29 -5.215 -9.337 -9.248
224 2HB LEU 29 1HB LEU 29 -5.366 -10.997 -8.716
225 HG LEU 29 HG LEU 29 -6.422 -9.516 -7.115
226 1HD1 LEU 29 1HD1 LEU 29 -3.842 -10.611 -5.995
227 2HD1 LEU 29 2HD1 LEU 29 -5.320 -11.534 -6.266
228 3HD1 LEU 29 3HD1 LEU 29 -5.303 -10.228 -5.081
229 1HD2 LEU 29 1HD2 LEU 29 -5.149 -7.477 -7.571
230 2HD2 LEU 29 2HD2 LEU 29 -3.724 -8.187 -6.813
231 3HD2 LEU 29 3HD2 LEU 29 -5.160 -7.849 -5.846
232 H ALA 30 H ALA 30 -3.075 -9.746 -11.172
233 HA ALA 30 HA ALA 30 -3.391 -12.323 -12.276
234 1HB ALA 30 1HB ALA 30 -3.726 -10.270 -13.565
235 2HB ALA 30 2HB ALA 30 -2.577 -11.348 -14.360
236 3HB ALA 30 3HB ALA 30 -1.997 -9.930 -13.482
237 H ASP 31 H ASP 31 -0.465 -10.556 -11.284
238 HA ASP 31 HA ASP 31 1.332 -12.542 -12.327
239 1HB ASP 31 2HB ASP 31 1.927 -10.114 -11.986
240 2HB ASP 31 1HB ASP 31 1.943 -10.422 -10.252
241 H GLY 32 H GLY 32 -0.173 -11.894 -9.192
242 1HA GLY 32 2HA GLY 32 -0.237 -14.502 -8.345
243 2HA GLY 32 1HA GLY 32 1.336 -13.929 -7.823
244 H PHE 33 H PHE 33 1.111 -11.627 -6.642
245 HA PHE 33 HA PHE 33 -1.056 -11.831 -4.676
246 1HB PHE 33 2HB PHE 33 1.839 -12.125 -3.826
247 2HB PHE 33 1HB PHE 33 0.425 -12.170 -2.780
248 HD1 PHE 33 HD2 PHE 33 -1.285 -14.065 -3.217
249 HD2 PHE 33 HD1 PHE 33 2.714 -14.104 -4.696
250 HE1 PHE 33 HE2 PHE 33 -1.419 -16.503 -3.523
251 HE2 PHE 33 HE1 PHE 33 2.579 -16.538 -5.010
252 HZ PHE 33 HZ PHE 33 0.512 -17.744 -4.422
253 H ILE 34 H ILE 34 -1.376 -9.973 -3.459
254 HA ILE 34 HA ILE 34 -0.882 -7.561 -4.699
255 HB ILE 34 HB ILE 34 -1.474 -7.973 -1.759
256 1HG1 ILE 34 2HG1 ILE 34 -3.365 -7.579 -4.100
257 2HG1 ILE 34 1HG1 ILE 34 -3.105 -9.094 -3.242
258 1HG2 ILE 34 1HG2 ILE 34 -1.838 -5.549 -3.526
259 2HG2 ILE 34 2HG2 ILE 34 -0.740 -5.707 -2.155
260 3HG2 ILE 34 3HG2 ILE 34 -2.483 -5.708 -1.892
261 1HD1 ILE 34 1HD1 ILE 34 -5.160 -8.033 -2.529
262 2HD1 ILE 34 2HD1 ILE 34 -4.279 -6.574 -2.080
263 3HD1 ILE 34 3HD1 ILE 34 -4.000 -8.078 -1.202
264 H HIS 35 H HIS 35 1.122 -6.749 -5.111
265 HA HIS 35 HA HIS 35 3.255 -6.915 -3.167
266 1HB HIS 35 2HB HIS 35 4.546 -5.544 -4.856
267 2HB HIS 35 1HB HIS 35 3.965 -7.101 -5.424
268 HD1 HIS 35 HD1 HIS 35 2.319 -3.648 -5.422
269 HD2 HIS 35 HD2 HIS 35 3.287 -6.744 -8.017
270 HE1 HIS 35 HE1 HIS 35 1.453 -2.939 -7.665
271 HE2 HIS 35 HE2 HIS 35 2.181 -4.753 -9.239
272 H LEU 36 H LEU 36 3.791 -5.474 -1.655
273 HA LEU 36 HA LEU 36 2.238 -3.019 -1.446
274 1HB LEU 36 2HB LEU 36 4.078 -4.430 0.478
275 2HB LEU 36 1HB LEU 36 3.390 -2.854 0.812
276 HG LEU 36 HG LEU 36 1.104 -3.882 0.579
277 1HD1 LEU 36 1HD1 LEU 36 0.914 -6.319 0.818
278 2HD1 LEU 36 2HD1 LEU 36 2.659 -6.470 0.604
279 3HD1 LEU 36 3HD1 LEU 36 1.656 -5.857 -0.711
280 1HD2 LEU 36 1HD2 LEU 36 2.885 -4.999 2.744
281 2HD2 LEU 36 2HD2 LEU 36 1.125 -4.883 2.802
282 3HD2 LEU 36 3HD2 LEU 36 2.104 -3.417 2.754
283 H SER 37 H SER 37 5.635 -3.971 -1.609
284 HA SER 37 HA SER 37 7.568 -2.842 -2.005
285 1HB SER 37 2HB SER 37 5.737 -0.685 -3.101
286 2HB SER 37 1HB SER 37 7.490 -0.712 -3.288
287 HG SER 37 HG SER 37 6.612 -1.608 -5.119
288 H ALA 38 H ALA 38 8.385 -2.522 0.012
289 HA ALA 38 HA ALA 38 7.367 -0.255 1.600
290 1HB ALA 38 1HB ALA 38 8.904 -2.677 2.541
291 2HB ALA 38 2HB ALA 38 7.153 -2.477 2.622
292 3HB ALA 38 3HB ALA 38 8.206 -1.415 3.560
293 H GLY 39 H GLY 39 8.816 1.076 2.780
294 1HA GLY 39 2HA GLY 39 10.692 2.331 3.155
295 2HA GLY 39 1HA GLY 39 11.592 0.851 2.879
296 H GLU 40 H GLU 40 13.077 1.019 1.363
297 HA GLU 40 HA GLU 40 13.422 3.260 -0.294
298 1HB GLU 40 2HB GLU 40 14.601 0.481 -0.580
299 2HB GLU 40 1HB GLU 40 15.163 1.899 -1.450
300 1HG GLU 40 2HG GLU 40 16.654 1.511 0.364
301 2HG GLU 40 1HG GLU 40 15.713 2.954 0.740
302 H GLN 41 H GLN 41 11.996 0.093 -0.960
303 HA GLN 41 HA GLN 41 11.621 0.473 -3.750
304 1HB GLN 41 2HB GLN 41 10.179 -1.364 -1.819
305 2HB GLN 41 1HB GLN 41 10.060 -1.452 -3.573
306 1HG GLN 41 2HG GLN 41 12.465 -1.916 -3.710
307 2HG GLN 41 1HG GLN 41 12.573 -1.851 -1.951
308 1HE2 GLN 41 1HE2 GLN 41 11.721 -3.561 -0.737
309 2HE2 GLN 41 2HE2 GLN 41 11.307 -5.072 -1.460
310 H ALA 42 H ALA 42 9.744 1.378 -0.931
311 HA ALA 42 HA ALA 42 7.329 2.058 -2.271
312 1HB ALA 42 1HB ALA 42 7.451 1.745 0.165
313 2HB ALA 42 2HB ALA 42 6.775 3.320 -0.255
314 3HB ALA 42 3HB ALA 42 8.446 3.197 0.299
315 H GLN 43 H GLN 43 10.068 4.080 -1.188
316 HA GLN 43 HA GLN 43 9.293 6.497 -2.350
317 1HB GLN 43 2HB GLN 43 11.101 6.527 -0.809
318 2HB GLN 43 1HB GLN 43 11.999 5.324 -1.718
319 1HG GLN 43 2HG GLN 43 13.011 7.519 -1.936
320 2HG GLN 43 1HG GLN 43 12.421 6.938 -3.489
321 1HE2 GLN 43 1HE2 GLN 43 10.338 8.286 -1.018
322 2HE2 GLN 43 2HE2 GLN 43 9.941 9.726 -1.881
323 H GLU 44 H GLU 44 11.292 3.885 -3.737
324 HA GLU 44 HA GLU 44 11.814 5.141 -6.190
325 1HB GLU 44 2HB GLU 44 12.989 3.113 -5.286
326 2HB GLU 44 1HB GLU 44 11.583 2.159 -5.740
327 1HG GLU 44 2HG GLU 44 11.909 2.817 -8.085
328 2HG GLU 44 1HG GLU 44 13.338 3.738 -7.621
329 H THR 45 H THR 45 9.226 2.803 -5.343
330 HA THR 45 HA THR 45 7.967 2.766 -7.865
331 HB THR 45 HB THR 45 6.640 2.391 -5.164
332 HG1 THR 45 HG1 THR 45 7.995 0.725 -5.249
333 1HG2 THR 45 1HG2 THR 45 5.740 1.555 -7.935
334 2HG2 THR 45 2HG2 THR 45 5.002 2.812 -6.943
335 3HG2 THR 45 3HG2 THR 45 4.936 1.127 -6.421
336 H ALA 46 H ALA 46 7.541 4.924 -5.092
337 HA ALA 46 HA ALA 46 5.383 6.437 -6.025
338 1HB ALA 46 1HB ALA 46 7.728 7.416 -4.387
339 2HB ALA 46 2HB ALA 46 6.302 6.605 -3.742
340 3HB ALA 46 3HB ALA 46 6.143 8.184 -4.511
341 H ALA 47 H ALA 47 8.864 6.753 -6.653
342 HA ALA 47 HA ALA 47 8.637 9.077 -8.301
343 1HB ALA 47 1HB ALA 47 10.725 8.513 -7.173
344 2HB ALA 47 2HB ALA 47 10.966 8.622 -8.915
345 3HB ALA 47 3HB ALA 47 10.863 7.044 -8.137
346 H LYS 48 H LYS 48 8.319 5.651 -8.927
347 HA LYS 48 HA LYS 48 8.573 5.791 -11.764
348 1HB LYS 48 2HB LYS 48 7.189 3.734 -10.027
349 2HB LYS 48 1HB LYS 48 7.578 3.544 -11.721
350 1HG LYS 48 2HG LYS 48 9.966 3.644 -11.190
351 2HG LYS 48 1HG LYS 48 9.564 3.823 -9.481
352 1HD LYS 48 2HD LYS 48 8.321 1.629 -9.655
353 2HD LYS 48 1HD LYS 48 9.022 1.447 -11.264
354 1HE LYS 48 2HE LYS 48 10.565 1.725 -8.683
355 2HE LYS 48 1HE LYS 48 10.295 0.221 -9.561
356 1HZ LYS 48 1HZ LYS 48 11.763 2.574 -10.629
357 2HZ LYS 48 2HZ LYS 48 11.567 1.082 -11.399
358 3HZ LYS 48 3HZ LYS 48 12.486 1.185 -9.983
359 H TRP 49 H TRP 49 5.706 5.049 -9.777
360 HA TRP 49 HA TRP 49 3.950 5.321 -12.015
361 1HB TRP 49 2HB TRP 49 3.339 4.910 -9.092
362 2HB TRP 49 1HB TRP 49 2.182 4.749 -10.409
363 HD1 TRP 49 HD1 TRP 49 5.227 3.249 -11.726
364 HE1 TRP 49 HE1 TRP 49 5.233 0.696 -11.393
365 HE3 TRP 49 HE3 TRP 49 1.437 2.896 -8.367
366 HZ2 TRP 49 HZ2 TRP 49 3.788 -1.228 -9.885
367 HZ3 TRP 49 HZ3 TRP 49 0.790 0.676 -7.509
368 HH2 TRP 49 HH2 TRP 49 1.944 -1.347 -8.257
369 H PHE 50 H PHE 50 4.101 7.035 -8.892
370 HA PHE 50 HA PHE 50 2.047 8.887 -9.758
371 1HB PHE 50 2HB PHE 50 3.555 8.845 -7.137
372 2HB PHE 50 1HB PHE 50 2.022 9.648 -7.470
373 HD1 PHE 50 HD1 PHE 50 -0.009 8.241 -7.975
374 HD2 PHE 50 HD2 PHE 50 3.624 6.574 -6.500
375 HE1 PHE 50 HE1 PHE 50 -1.216 6.202 -7.320
376 HE2 PHE 50 HE2 PHE 50 2.419 4.530 -5.843
377 HZ PHE 50 HZ PHE 50 -0.001 4.342 -6.255
378 H ARG 51 H ARG 51 5.140 9.480 -8.145
379 HA ARG 51 HA ARG 51 6.893 10.821 -8.583
380 1HB ARG 51 2HB ARG 51 6.864 9.968 -10.822
381 2HB ARG 51 1HB ARG 51 5.568 11.066 -11.273
382 1HG ARG 51 2HG ARG 51 7.011 12.951 -11.183
383 2HG ARG 51 1HG ARG 51 8.287 12.017 -10.395
384 1HD ARG 51 2HD ARG 51 7.260 11.597 -13.206
385 2HD ARG 51 1HD ARG 51 8.785 12.366 -12.762
386 HE ARG 51 HE ARG 51 8.746 9.841 -11.589
387 1HH1 ARG 51 1HH1 ARG 51 8.760 11.158 -14.763
388 2HH1 ARG 51 2HH1 ARG 51 9.642 9.827 -15.423
389 1HH2 ARG 51 1HH2 ARG 51 9.853 8.133 -12.442
390 2HH2 ARG 51 2HH2 ARG 51 10.282 8.138 -14.118
391 H GLY 52 H GLY 52 4.195 12.502 -10.174
392 1HA GLY 52 2HA GLY 52 4.403 14.696 -8.267
393 2HA GLY 52 1HA GLY 52 4.815 15.081 -9.933
394 H GLN 53 H GLN 53 2.247 13.195 -8.335
395 HA GLN 53 HA GLN 53 0.252 14.512 -10.046
396 1HB GLN 53 2HB GLN 53 0.047 12.045 -8.317
397 2HB GLN 53 1HB GLN 53 -1.258 12.689 -9.301
398 1HG GLN 53 2HG GLN 53 0.090 12.318 -11.319
399 2HG GLN 53 1HG GLN 53 1.385 11.653 -10.325
400 1HE2 GLN 53 1HE2 GLN 53 1.276 9.664 -11.410
401 2HE2 GLN 53 2HE2 GLN 53 -0.021 8.551 -11.150
402 H ALA 54 H ALA 54 -2.030 14.118 -8.376
403 HA ALA 54 HA ALA 54 -1.524 16.337 -6.510
404 1HB ALA 54 1HB ALA 54 -3.851 16.900 -6.720
405 2HB ALA 54 2HB ALA 54 -4.175 15.411 -7.609
406 3HB ALA 54 3HB ALA 54 -3.174 16.672 -8.333
407 H ASN 55 H ASN 55 -3.750 13.553 -6.582
408 HA ASN 55 HA ASN 55 -4.045 13.820 -3.694
409 1HB ASN 55 2HB ASN 55 -6.132 12.465 -4.063
410 2HB ASN 55 1HB ASN 55 -6.112 14.033 -4.857
411 1HD2 ASN 55 1HD2 ASN 55 -7.816 11.974 -5.592
412 2HD2 ASN 55 2HD2 ASN 55 -7.400 11.452 -7.188
413 H LEU 56 H LEU 56 -1.876 12.775 -3.653
414 HA LEU 56 HA LEU 56 -1.881 9.869 -3.986
415 1HB LEU 56 2HB LEU 56 0.383 11.663 -3.103
416 2HB LEU 56 1HB LEU 56 0.505 9.989 -3.617
417 HG LEU 56 HG LEU 56 -0.190 12.372 -5.340
418 1HD1 LEU 56 1HD1 LEU 56 1.844 11.793 -6.546
419 2HD1 LEU 56 2HD1 LEU 56 2.144 10.462 -5.428
420 3HD1 LEU 56 3HD1 LEU 56 2.187 12.128 -4.849
421 1HD2 LEU 56 1HD2 LEU 56 -0.290 9.426 -5.966
422 2HD2 LEU 56 2HD2 LEU 56 -0.195 10.674 -7.203
423 3HD2 LEU 56 3HD2 LEU 56 -1.580 10.620 -6.118
424 H VAL 57 H VAL 57 -2.219 8.490 -2.375
425 HA VAL 57 HA VAL 57 -2.057 9.426 0.425
426 HB VAL 57 HB VAL 57 -3.625 7.061 -0.636
427 1HG1 VAL 57 1HG1 VAL 57 -4.761 7.127 1.539
428 2HG1 VAL 57 2HG1 VAL 57 -3.726 8.468 2.041
429 3HG1 VAL 57 3HG1 VAL 57 -3.024 6.880 1.729
430 1HG2 VAL 57 1HG2 VAL 57 -4.607 9.838 0.026
431 2HG2 VAL 57 2HG2 VAL 57 -5.628 8.457 -0.377
432 3HG2 VAL 57 3HG2 VAL 57 -4.520 9.117 -1.581
433 H LEU 58 H LEU 58 -1.052 8.103 1.984
434 HA LEU 58 HA LEU 58 0.523 5.827 0.949
435 1HB LEU 58 2HB LEU 58 1.900 7.838 1.446
436 2HB LEU 58 1HB LEU 58 1.345 7.789 3.107
437 HG LEU 58 HG LEU 58 2.828 5.441 1.917
438 1HD1 LEU 58 1HD1 LEU 58 4.225 7.397 1.507
439 2HD1 LEU 58 2HD1 LEU 58 4.915 6.386 2.775
440 3HD1 LEU 58 3HD1 LEU 58 4.071 7.876 3.198
441 1HD2 LEU 58 1HD2 LEU 58 1.736 5.084 4.076
442 2HD2 LEU 58 2HD2 LEU 58 2.560 6.493 4.742
443 3HD2 LEU 58 3HD2 LEU 58 3.489 5.075 4.257
444 H LEU 59 H LEU 59 -0.167 3.965 1.785
445 HA LEU 59 HA LEU 59 -1.490 3.861 4.389
446 1HB LEU 59 2HB LEU 59 -0.898 1.608 2.457
447 2HB LEU 59 1HB LEU 59 -1.968 1.536 3.843
448 HG LEU 59 HG LEU 59 -2.413 3.147 1.321
449 1HD1 LEU 59 1HD1 LEU 59 -3.835 0.717 2.413
450 2HD1 LEU 59 2HD1 LEU 59 -2.780 0.768 1.001
451 3HD1 LEU 59 3HD1 LEU 59 -4.315 1.634 0.983
452 1HD2 LEU 59 1HD2 LEU 59 -4.120 2.928 3.803
453 2HD2 LEU 59 2HD2 LEU 59 -4.614 3.685 2.289
454 3HD2 LEU 59 3HD2 LEU 59 -3.285 4.370 3.221
455 H ALA 60 H ALA 60 -0.547 3.124 6.229
456 HA ALA 60 HA ALA 60 2.124 1.873 6.054
457 1HB ALA 60 1HB ALA 60 1.303 3.982 8.056
458 2HB ALA 60 2HB ALA 60 2.351 4.246 6.662
459 3HB ALA 60 3HB ALA 60 2.871 3.178 7.967
460 H VAL 61 H VAL 61 2.255 -0.007 7.103
461 HA VAL 61 HA VAL 61 0.502 -0.510 9.422
462 HB VAL 61 HB VAL 61 1.044 -2.512 7.209
463 1HG1 VAL 61 1HG1 VAL 61 -0.579 -3.943 8.410
464 2HG1 VAL 61 2HG1 VAL 61 -0.626 -2.759 9.717
465 3HG1 VAL 61 3HG1 VAL 61 0.873 -3.617 9.358
466 1HG2 VAL 61 1HG2 VAL 61 -1.354 -2.349 6.707
467 2HG2 VAL 61 2HG2 VAL 61 -0.534 -0.805 6.474
468 3HG2 VAL 61 3HG2 VAL 61 -1.519 -1.071 7.914
469 H GLU 62 H GLU 62 1.526 -1.397 11.142
470 HA GLU 62 HA GLU 62 4.339 -1.938 11.071
471 1HB GLU 62 2HB GLU 62 2.274 -2.378 13.247
472 2HB GLU 62 1HB GLU 62 3.994 -2.665 13.458
473 1HG GLU 62 2HG GLU 62 3.527 -0.551 14.404
474 2HG GLU 62 1HG GLU 62 4.384 -0.258 12.896
475 H ALA 63 H ALA 63 5.415 -3.888 11.077
476 HA ALA 63 HA ALA 63 4.435 -6.019 9.662
477 1HB ALA 63 1HB ALA 63 6.586 -6.186 11.773
478 2HB ALA 63 2HB ALA 63 6.820 -5.603 10.124
479 3HB ALA 63 3HB ALA 63 6.360 -7.283 10.409
480 H GLU 64 H GLU 64 5.127 -6.396 13.155
481 HA GLU 64 HA GLU 64 4.142 -7.580 14.800
482 1HB GLU 64 2HB GLU 64 1.670 -7.056 13.132
483 2HB GLU 64 1HB GLU 64 1.633 -7.748 14.748
484 1HG GLU 64 2HG GLU 64 2.938 -5.642 15.455
485 2HG GLU 64 1HG GLU 64 2.412 -4.978 13.910
486 HA PRO 65 HA PRO 65 3.874 -11.990 14.169
487 1HB PRO 65 2HB PRO 65 1.162 -11.900 15.440
488 2HB PRO 65 1HB PRO 65 2.538 -12.955 15.789
489 1HG PRO 65 2HG PRO 65 1.993 -10.911 17.385
490 2HG PRO 65 1HG PRO 65 3.674 -11.296 16.968
491 1HD PRO 65 2HD PRO 65 1.929 -9.087 15.960
492 2HD PRO 65 1HD PRO 65 3.672 -9.095 16.282
493 H LEU 66 H LEU 66 1.839 -10.022 12.372
494 HA LEU 66 HA LEU 66 0.238 -12.187 11.255
495 1HB LEU 66 2HB LEU 66 -0.759 -10.437 9.822
496 2HB LEU 66 1HB LEU 66 -0.896 -10.097 11.534
497 HG LEU 66 HG LEU 66 1.174 -8.576 11.196
498 1HD1 LEU 66 1HD1 LEU 66 1.412 -7.618 8.955
499 2HD1 LEU 66 2HD1 LEU 66 0.253 -8.790 8.326
500 3HD1 LEU 66 3HD1 LEU 66 1.803 -9.337 8.968
501 1HD2 LEU 66 1HD2 LEU 66 -1.505 -7.844 10.015
502 2HD2 LEU 66 2HD2 LEU 66 -0.256 -6.699 10.509
503 3HD2 LEU 66 3HD2 LEU 66 -1.037 -7.726 11.712
504 H GLY 67 H GLY 67 3.327 -11.681 10.944
505 1HA GLY 67 2HA GLY 67 3.758 -11.235 8.158
506 2HA GLY 67 1HA GLY 67 4.942 -11.811 9.314
507 H GLU 68 H GLU 68 1.977 -13.610 8.890
508 HA GLU 68 HA GLU 68 3.447 -15.698 7.441
509 1HB GLU 68 2HB GLU 68 2.225 -16.330 9.518
510 2HB GLU 68 1HB GLU 68 0.720 -15.835 8.755
511 1HG GLU 68 2HG GLU 68 0.949 -17.570 7.082
512 2HG GLU 68 1HG GLU 68 2.525 -18.025 7.729
513 H ASP 69 H ASP 69 0.605 -13.615 7.231
514 HA ASP 69 HA ASP 69 -0.190 -14.550 4.625
515 1HB ASP 69 2HB ASP 69 -0.963 -12.024 6.109
516 2HB ASP 69 1HB ASP 69 -1.770 -12.669 4.682
517 H LEU 70 H LEU 70 2.246 -12.523 5.758
518 HA LEU 70 HA LEU 70 2.543 -11.170 3.147
519 1HB LEU 70 2HB LEU 70 2.238 -9.630 5.045
520 2HB LEU 70 1HB LEU 70 3.597 -10.367 5.871
521 HG LEU 70 HG LEU 70 5.070 -9.594 3.984
522 1HD1 LEU 70 1HD1 LEU 70 4.251 -7.828 2.518
523 2HD1 LEU 70 2HD1 LEU 70 2.631 -7.996 3.196
524 3HD1 LEU 70 3HD1 LEU 70 3.344 -9.320 2.274
525 1HD2 LEU 70 1HD2 LEU 70 5.129 -7.250 4.748
526 2HD2 LEU 70 2HD2 LEU 70 5.018 -8.397 6.082
527 3HD2 LEU 70 3HD2 LEU 70 3.589 -7.497 5.572
528 H LYS 71 H LYS 71 4.381 -11.574 1.964
529 HA LYS 71 HA LYS 71 6.678 -12.846 3.309
530 1HB LYS 71 2HB LYS 71 5.298 -14.608 2.231
531 2HB LYS 71 1HB LYS 71 5.502 -13.795 0.684
532 1HG LYS 71 2HG LYS 71 7.969 -14.131 0.912
533 2HG LYS 71 1HG LYS 71 7.651 -15.097 2.356
534 1HD LYS 71 2HD LYS 71 6.617 -15.676 -0.427
535 2HD LYS 71 1HD LYS 71 7.952 -16.509 0.370
536 1HE LYS 71 2HE LYS 71 6.495 -17.460 1.999
537 2HE LYS 71 1HE LYS 71 5.155 -16.428 1.498
538 1HZ LYS 71 1HZ LYS 71 6.404 -18.527 -0.187
539 2HZ LYS 71 2HZ LYS 71 5.077 -17.571 -0.607
540 3HZ LYS 71 3HZ LYS 71 4.947 -18.694 0.651
541 H TRP 72 H TRP 72 8.621 -12.051 2.696
542 HA TRP 72 HA TRP 72 8.733 -9.935 0.718
543 1HB TRP 72 2HB TRP 72 10.953 -11.141 2.404
544 2HB TRP 72 1HB TRP 72 11.063 -9.660 1.458
545 HD1 TRP 72 HD1 TRP 72 9.520 -11.046 4.686
546 HE1 TRP 72 HE1 TRP 72 8.825 -9.067 6.174
547 HE3 TRP 72 HE3 TRP 72 10.379 -7.214 1.409
548 HZ2 TRP 72 HZ2 TRP 72 8.664 -6.260 5.992
549 HZ3 TRP 72 HZ3 TRP 72 9.934 -4.909 2.146
550 HH2 TRP 72 HH2 TRP 72 9.094 -4.442 4.393
551 H GLU 73 H GLU 73 8.405 -10.951 -1.282
552 HA GLU 73 HA GLU 73 10.137 -13.207 -1.999
553 1HB GLU 73 2HB GLU 73 7.739 -12.038 -3.429
554 2HB GLU 73 1HB GLU 73 8.623 -13.473 -3.936
555 1HG GLU 73 2HG GLU 73 8.019 -14.545 -1.778
556 2HG GLU 73 1HG GLU 73 7.038 -13.133 -1.394
557 H ALA 74 H ALA 74 11.972 -12.840 -3.037
558 HA ALA 74 HA ALA 74 12.409 -10.361 -4.521
559 1HB ALA 74 1HB ALA 74 14.745 -11.060 -4.624
560 2HB ALA 74 2HB ALA 74 14.325 -12.620 -3.916
561 3HB ALA 74 3HB ALA 74 14.141 -11.145 -2.970
562 H SER 75 H SER 75 11.874 -10.278 -6.623
563 HA SER 75 HA SER 75 12.021 -12.765 -8.223
564 1HB SER 75 2HB SER 75 10.063 -10.467 -8.451
565 2HB SER 75 1HB SER 75 10.168 -11.799 -9.602
566 HG SER 75 HG SER 75 8.698 -12.549 -8.249
567 H ARG 76 H ARG 76 14.243 -10.953 -7.986
568 HA ARG 76 HA ARG 76 14.805 -10.591 -10.767
569 1HB ARG 76 2HB ARG 76 13.440 -8.520 -10.169
570 2HB ARG 76 1HB ARG 76 14.792 -8.032 -9.152
571 1HG ARG 76 2HG ARG 76 16.265 -8.065 -11.138
572 2HG ARG 76 1HG ARG 76 14.874 -8.489 -12.136
573 1HD ARG 76 2HD ARG 76 13.781 -6.364 -11.331
574 2HD ARG 76 1HD ARG 76 15.327 -5.929 -10.603
575 HE ARG 76 HE ARG 76 14.726 -6.103 -13.463
576 1HH1 ARG 76 1HH1 ARG 76 17.019 -5.401 -10.981
577 2HH1 ARG 76 2HH1 ARG 76 18.075 -4.551 -12.050
578 1HH2 ARG 76 1HH2 ARG 76 16.083 -4.987 -14.812
579 2HH2 ARG 76 2HH2 ARG 76 17.559 -4.327 -14.190
580 H GLY 77 H GLY 77 15.749 -9.986 -7.423
581 1HA GLY 77 2HA GLY 77 18.029 -11.170 -7.077
582 2HA GLY 77 1HA GLY 77 18.593 -9.942 -8.196
583 H GLY 78 H GLY 78 17.782 -10.666 -4.934
584 1HA GLY 78 2HA GLY 78 18.496 -9.525 -3.037
585 2HA GLY 78 1HA GLY 78 19.004 -8.187 -4.053
586 H ALA 79 H ALA 79 16.656 -7.455 -5.298
587 HA ALA 79 HA ALA 79 15.291 -6.016 -3.266
588 1HB ALA 79 1HB ALA 79 13.845 -5.208 -5.058
589 2HB ALA 79 2HB ALA 79 14.478 -6.443 -6.145
590 3HB ALA 79 3HB ALA 79 15.537 -5.164 -5.552
591 H ARG 80 H ARG 80 14.090 -7.093 -1.793
592 HA ARG 80 HA ARG 80 12.395 -9.334 -2.607
593 1HB ARG 80 2HB ARG 80 13.123 -8.224 0.112
594 2HB ARG 80 1HB ARG 80 12.006 -9.560 -0.125
595 1HG ARG 80 2HG ARG 80 13.768 -10.900 -1.119
596 2HG ARG 80 1HG ARG 80 14.898 -9.550 -0.991
597 1HD ARG 80 2HD ARG 80 13.536 -10.906 1.344
598 2HD ARG 80 1HD ARG 80 15.184 -11.231 0.804
599 HE ARG 80 HE ARG 80 15.655 -8.847 1.327
600 1HH1 ARG 80 1HH1 ARG 80 13.051 -10.457 2.919
601 2HH1 ARG 80 2HH1 ARG 80 13.071 -9.377 4.265
602 1HH2 ARG 80 1HH2 ARG 80 15.674 -7.487 3.052
603 2HH2 ARG 80 2HH2 ARG 80 14.534 -7.707 4.337
604 H PHE 81 H PHE 81 10.466 -8.772 -3.413
605 HA PHE 81 HA PHE 81 9.096 -6.364 -2.567
606 1HB PHE 81 2HB PHE 81 8.290 -8.522 -4.533
607 2HB PHE 81 1HB PHE 81 7.430 -7.005 -4.289
608 HD1 PHE 81 HD1 PHE 81 10.445 -8.576 -5.673
609 HD2 PHE 81 HD2 PHE 81 8.313 -4.922 -5.148
610 HE1 PHE 81 HE1 PHE 81 11.878 -7.502 -7.357
611 HE2 PHE 81 HE2 PHE 81 9.744 -3.844 -6.835
612 HZ PHE 81 HZ PHE 81 11.528 -5.132 -7.941
613 HA PRO 82 HA PRO 82 6.834 -8.679 0.632
614 1HB PRO 82 2HB PRO 82 5.347 -6.519 1.460
615 2HB PRO 82 1HB PRO 82 6.987 -6.863 2.026
616 1HG PRO 82 2HG PRO 82 6.070 -4.956 -0.095
617 2HG PRO 82 1HG PRO 82 7.310 -4.732 1.155
618 1HD PRO 82 2HD PRO 82 7.948 -5.302 -1.408
619 2HD PRO 82 1HD PRO 82 8.910 -5.911 -0.045
620 H HIS 83 H HIS 83 5.363 -10.016 -0.274
621 HA HIS 83 HA HIS 83 3.071 -8.866 -1.732
622 1HB HIS 83 2HB HIS 83 4.142 -11.699 -1.716
623 2HB HIS 83 1HB HIS 83 2.726 -11.163 -2.610
624 HD1 HIS 83 HD1 HIS 83 5.096 -12.416 -4.073
625 HD2 HIS 83 HD2 HIS 83 4.635 -8.330 -3.512
626 HE1 HIS 83 HE1 HIS 83 6.423 -11.335 -5.906
627 HE2 HIS 83 HE2 HIS 83 6.005 -8.872 -5.634
628 H LEU 84 H LEU 84 1.045 -9.042 -0.951
629 HA LEU 84 HA LEU 84 0.625 -10.509 1.559
630 1HB LEU 84 2HB LEU 84 0.030 -8.089 1.435
631 2HB LEU 84 1HB LEU 84 -1.153 -8.471 0.198
632 HG LEU 84 HG LEU 84 -2.399 -9.855 1.829
633 1HD1 LEU 84 1HD1 LEU 84 -1.849 -9.740 4.207
634 2HD1 LEU 84 2HD1 LEU 84 -0.385 -8.830 3.831
635 3HD1 LEU 84 3HD1 LEU 84 -0.549 -10.499 3.288
636 1HD2 LEU 84 1HD2 LEU 84 -1.865 -7.023 2.732
637 2HD2 LEU 84 2HD2 LEU 84 -3.258 -8.005 3.190
638 3HD2 LEU 84 3HD2 LEU 84 -3.031 -7.528 1.508
639 H TYR 85 H TYR 85 -0.378 -12.419 1.508
640 HA TYR 85 HA TYR 85 -1.336 -13.466 -0.999
641 1HB TYR 85 2HB TYR 85 -1.008 -14.673 1.750
642 2HB TYR 85 1HB TYR 85 -1.659 -15.578 0.386
643 HD1 TYR 85 HD2 TYR 85 1.328 -13.498 1.298
644 HD2 TYR 85 HD1 TYR 85 -0.187 -16.785 -0.946
645 HE1 TYR 85 HE2 TYR 85 3.608 -14.037 0.550
646 HE2 TYR 85 HE1 TYR 85 2.087 -17.329 -1.694
647 HH TYR 85 HH TYR 85 4.347 -15.807 -1.980
648 H ARG 86 H ARG 86 -2.938 -11.511 0.989
649 HA ARG 86 HA ARG 86 -5.524 -12.641 0.234
650 1HB ARG 86 2HB ARG 86 -6.490 -12.414 2.445
651 2HB ARG 86 1HB ARG 86 -5.091 -13.473 2.530
652 1HG ARG 86 2HG ARG 86 -3.750 -11.621 3.434
653 2HG ARG 86 1HG ARG 86 -5.165 -10.570 3.363
654 1HD ARG 86 2HD ARG 86 -6.343 -12.151 4.892
655 2HD ARG 86 1HD ARG 86 -4.842 -13.066 5.034
656 HE ARG 86 HE ARG 86 -4.651 -10.264 5.728
657 1HH1 ARG 86 1HH1 ARG 86 -5.163 -13.481 6.847
658 2HH1 ARG 86 2HH1 ARG 86 -4.774 -13.084 8.488
659 1HH2 ARG 86 1HH2 ARG 86 -4.173 -9.777 7.865
660 2HH2 ARG 86 2HH2 ARG 86 -4.250 -11.028 9.056
661 HA PRO 87 HA PRO 87 -6.733 -8.457 -0.736
662 1HB PRO 87 2HB PRO 87 -9.198 -8.996 0.880
663 2HB PRO 87 1HB PRO 87 -9.044 -8.374 -0.768
664 1HG PRO 87 2HG PRO 87 -9.774 -10.892 -0.359
665 2HG PRO 87 1HG PRO 87 -8.643 -10.489 -1.668
666 1HD PRO 87 2HD PRO 87 -8.089 -11.707 1.013
667 2HD PRO 87 1HD PRO 87 -7.353 -12.069 -0.563
668 H LEU 88 H LEU 88 -6.349 -6.487 0.154
669 HA LEU 88 HA LEU 88 -5.608 -6.386 2.942
670 1HB LEU 88 2HB LEU 88 -4.221 -5.306 1.229
671 2HB LEU 88 1HB LEU 88 -5.555 -4.256 0.794
672 HG LEU 88 HG LEU 88 -5.456 -3.231 3.056
673 1HD1 LEU 88 1HD1 LEU 88 -4.495 -5.112 4.278
674 2HD1 LEU 88 2HD1 LEU 88 -3.531 -3.652 4.495
675 3HD1 LEU 88 3HD1 LEU 88 -2.977 -4.921 3.400
676 1HD2 LEU 88 1HD2 LEU 88 -3.394 -1.961 2.681
677 2HD2 LEU 88 2HD2 LEU 88 -4.301 -2.181 1.188
678 3HD2 LEU 88 3HD2 LEU 88 -2.867 -3.159 1.498
679 H LEU 89 H LEU 89 -7.621 -6.615 4.024
680 HA LEU 89 HA LEU 89 -9.861 -4.947 3.666
681 1HB LEU 89 2HB LEU 89 -8.904 -6.184 6.260
682 2HB LEU 89 1HB LEU 89 -10.531 -5.632 5.911
683 HG LEU 89 HG LEU 89 -9.136 -7.977 4.604
684 1HD1 LEU 89 1HD1 LEU 89 -10.832 -9.323 5.773
685 2HD1 LEU 89 2HD1 LEU 89 -11.410 -7.868 6.589
686 3HD1 LEU 89 3HD1 LEU 89 -9.776 -8.460 6.892
687 1HD2 LEU 89 1HD2 LEU 89 -11.290 -8.419 3.525
688 2HD2 LEU 89 2HD2 LEU 89 -10.634 -6.858 3.036
689 3HD2 LEU 89 3HD2 LEU 89 -11.944 -6.932 4.216
690 H VAL 90 H VAL 90 -10.459 -2.951 4.587
691 HA VAL 90 HA VAL 90 -8.415 -1.089 5.076
692 HB VAL 90 HB VAL 90 -11.345 -0.897 5.839
693 1HG1 VAL 90 1HG1 VAL 90 -10.996 1.536 5.891
694 2HG1 VAL 90 2HG1 VAL 90 -9.270 1.295 5.620
695 3HG1 VAL 90 3HG1 VAL 90 -10.018 0.719 7.111
696 1HG2 VAL 90 1HG2 VAL 90 -9.880 0.176 3.421
697 2HG2 VAL 90 2HG2 VAL 90 -11.600 0.355 3.769
698 3HG2 VAL 90 3HG2 VAL 90 -10.929 -1.242 3.429
699 H SER 91 H SER 91 -10.126 -3.208 7.261
700 HA SER 91 HA SER 91 -9.407 -1.985 9.709
701 1HB SER 91 2HB SER 91 -11.163 -3.702 9.568
702 2HB SER 91 1HB SER 91 -9.958 -4.914 9.140
703 HG SER 91 HG SER 91 -10.714 -4.573 11.482
704 H GLU 92 H GLU 92 -7.570 -3.970 7.512
705 HA GLU 92 HA GLU 92 -5.444 -4.569 9.364
706 1HB GLU 92 2HB GLU 92 -5.980 -5.063 6.499
707 2HB GLU 92 1HB GLU 92 -4.283 -4.853 6.899
708 1HG GLU 92 2HG GLU 92 -4.960 -7.204 6.909
709 2HG GLU 92 1HG GLU 92 -4.379 -6.668 8.484
710 H VAL 93 H VAL 93 -6.279 -1.860 7.414
711 HA VAL 93 HA VAL 93 -3.632 -0.747 7.244
712 HB VAL 93 HB VAL 93 -6.260 0.712 6.895
713 1HG1 VAL 93 1HG1 VAL 93 -3.478 1.319 5.873
714 2HG1 VAL 93 2HG1 VAL 93 -4.346 2.202 7.129
715 3HG1 VAL 93 3HG1 VAL 93 -4.936 2.225 5.467
716 1HG2 VAL 93 1HG2 VAL 93 -6.029 0.241 4.487
717 2HG2 VAL 93 2HG2 VAL 93 -6.229 -1.235 5.435
718 3HG2 VAL 93 3HG2 VAL 93 -4.633 -0.782 4.830
719 H THR 94 H THR 94 -2.873 -0.735 9.380
720 HA THR 94 HA THR 94 -4.210 0.306 11.610
721 HB THR 94 HB THR 94 -1.221 0.147 11.126
722 HG1 THR 94 HG1 THR 94 -1.384 -1.854 12.049
723 1HG2 THR 94 1HG2 THR 94 -1.709 1.708 12.948
724 2HG2 THR 94 2HG2 THR 94 -1.016 0.214 13.582
725 3HG2 THR 94 3HG2 THR 94 -2.751 0.506 13.715
726 H ARG 95 H ARG 95 -1.866 1.940 9.452
727 HA ARG 95 HA ARG 95 -2.975 4.521 10.347
728 1HB ARG 95 2HB ARG 95 -0.033 3.855 10.053
729 2HB ARG 95 1HB ARG 95 -0.665 5.481 10.279
730 1HG ARG 95 2HG ARG 95 -1.569 4.842 12.457
731 2HG ARG 95 1HG ARG 95 -0.973 3.197 12.230
732 1HD ARG 95 2HD ARG 95 0.771 5.664 12.300
733 2HD ARG 95 1HD ARG 95 0.486 4.601 13.677
734 HE ARG 95 HE ARG 95 1.435 2.833 11.995
735 1HH1 ARG 95 1HH1 ARG 95 2.525 6.079 12.453
736 2HH1 ARG 95 2HH1 ARG 95 4.160 5.692 12.050
737 1HH2 ARG 95 1HH2 ARG 95 3.530 2.360 11.475
738 2HH2 ARG 95 2HH2 ARG 95 4.725 3.620 11.495
739 H GLU 96 H GLU 96 -3.004 6.174 8.775
740 HA GLU 96 HA GLU 96 -1.729 5.812 6.217
741 1HB GLU 96 2HB GLU 96 -3.935 6.050 4.944
742 2HB GLU 96 1HB GLU 96 -3.565 4.478 5.627
743 1HG GLU 96 2HG GLU 96 -5.838 4.809 6.050
744 2HG GLU 96 1HG GLU 96 -5.036 5.126 7.585
745 H ALA 97 H ALA 97 -1.817 7.691 4.853
746 HA ALA 97 HA ALA 97 -3.163 10.088 5.627
747 1HB ALA 97 1HB ALA 97 -1.502 10.045 7.431
748 2HB ALA 97 2HB ALA 97 -1.226 11.406 6.343
749 3HB ALA 97 3HB ALA 97 -0.201 9.973 6.241
750 H ASP 98 H ASP 98 -2.901 11.785 4.112
751 HA ASP 98 HA ASP 98 -1.872 11.080 1.531
752 1HB ASP 98 2HB ASP 98 -2.726 13.805 2.554
753 2HB ASP 98 1HB ASP 98 -2.528 13.342 0.868
754 H LEU 99 H LEU 99 0.150 11.459 0.696
755 HA LEU 99 HA LEU 99 2.157 12.202 2.635
756 1HB LEU 99 2HB LEU 99 3.770 11.542 0.818
757 2HB LEU 99 1HB LEU 99 2.682 10.296 1.389
758 HG LEU 99 HG LEU 99 1.242 10.774 -0.650
759 1HD1 LEU 99 1HD1 LEU 99 2.096 12.959 -1.254
760 2HD1 LEU 99 2HD1 LEU 99 2.370 11.820 -2.570
761 3HD1 LEU 99 3HD1 LEU 99 3.706 12.288 -1.517
762 1HD2 LEU 99 1HD2 LEU 99 2.663 8.806 -0.489
763 2HD2 LEU 99 2HD2 LEU 99 4.044 9.731 -1.078
764 3HD2 LEU 99 3HD2 LEU 99 2.664 9.435 -2.136
765 H ASP 100 H ASP 100 4.175 13.414 1.693
766 HA ASP 100 HA ASP 100 3.211 16.047 0.783
767 1HB ASP 100 2HB ASP 100 4.123 16.127 3.002
768 2HB ASP 100 1HB ASP 100 5.560 15.238 2.510
769 H LEU 101 H LEU 101 3.945 16.885 -1.101
770 HA LEU 101 HA LEU 101 5.919 15.347 -2.635
771 1HB LEU 101 2HB LEU 101 4.077 17.572 -3.521
772 2HB LEU 101 1HB LEU 101 5.128 16.641 -4.571
773 HG LEU 101 HG LEU 101 2.731 15.589 -3.050
774 1HD1 LEU 101 1HD1 LEU 101 1.766 15.266 -5.266
775 2HD1 LEU 101 2HD1 LEU 101 3.208 15.962 -6.009
776 3HD1 LEU 101 3HD1 LEU 101 2.166 16.962 -4.994
777 1HD2 LEU 101 1HD2 LEU 101 4.576 14.119 -4.939
778 2HD2 LEU 101 2HD2 LEU 101 3.127 13.471 -4.169
779 3HD2 LEU 101 3HD2 LEU 101 4.525 13.907 -3.188
780 H ASP 102 H ASP 102 7.683 16.329 -3.706
781 HA ASP 102 HA ASP 102 8.822 18.631 -2.339
782 1HB ASP 102 2HB ASP 102 10.168 16.610 -2.878
783 2HB ASP 102 1HB ASP 102 9.934 16.931 -4.592
784 H ALA 103 H ALA 103 10.027 20.274 -3.841
785 HA ALA 103 HA ALA 103 8.248 21.681 -5.487
786 1HB ALA 103 1HB ALA 103 10.221 22.689 -4.441
787 2HB ALA 103 2HB ALA 103 10.192 22.988 -6.179
788 3HB ALA 103 3HB ALA 103 11.268 21.758 -5.513
789 H ASP 104 H ASP 104 10.398 19.022 -6.210
790 HA ASP 104 HA ASP 104 9.896 19.242 -9.091
791 1HB ASP 104 2HB ASP 104 11.640 17.327 -7.513
792 2HB ASP 104 1HB ASP 104 11.493 17.339 -9.269
793 H GLY 105 H GLY 105 8.088 18.238 -6.680
794 1HA GLY 105 2HA GLY 105 6.086 17.029 -6.928
795 2HA GLY 105 1HA GLY 105 6.797 16.174 -8.282
796 H VAL 106 H VAL 106 9.236 15.478 -6.760
797 HA VAL 106 HA VAL 106 8.509 12.887 -6.092
798 HB VAL 106 HB VAL 106 10.946 14.407 -5.136
799 1HG1 VAL 106 1HG1 VAL 106 10.616 12.396 -3.800
800 2HG1 VAL 106 2HG1 VAL 106 11.990 12.185 -4.882
801 3HG1 VAL 106 3HG1 VAL 106 10.446 11.423 -5.262
802 1HG2 VAL 106 1HG2 VAL 106 10.745 14.405 -7.567
803 2HG2 VAL 106 2HG2 VAL 106 10.543 12.652 -7.567
804 3HG2 VAL 106 3HG2 VAL 106 12.076 13.364 -7.056
805 HA PRO 107 HA PRO 107 6.639 13.419 -2.008
806 1HB PRO 107 2HB PRO 107 7.040 10.471 -1.929
807 2HB PRO 107 1HB PRO 107 5.569 11.414 -1.668
808 1HG PRO 107 2HG PRO 107 5.921 10.021 -3.920
809 2HG PRO 107 1HG PRO 107 5.135 11.612 -3.944
810 1HD PRO 107 2HD PRO 107 7.940 10.870 -4.708
811 2HD PRO 107 1HD PRO 107 6.823 12.009 -5.490
812 H GLN 108 H GLN 108 8.176 14.364 -0.708
813 HA GLN 108 HA GLN 108 10.711 13.114 -0.170
814 1HB GLN 108 2HB GLN 108 9.418 15.626 0.897
815 2HB GLN 108 1HB GLN 108 11.001 15.071 1.430
816 1HG GLN 108 2HG GLN 108 10.239 15.771 -1.403
817 2HG GLN 108 1HG GLN 108 11.177 16.782 -0.304
818 1HE2 GLN 108 1HE2 GLN 108 11.893 15.628 -2.915
819 2HE2 GLN 108 2HE2 GLN 108 13.326 14.709 -2.640
820 H LEU 109 H LEU 109 9.511 11.135 0.629
821 HA LEU 109 HA LEU 109 8.929 11.344 3.494
822 1HB LEU 109 2HB LEU 109 8.124 8.966 3.254
823 2HB LEU 109 1HB LEU 109 7.197 10.187 2.407
824 HG LEU 109 HG LEU 109 8.434 9.535 0.312
825 1HD1 LEU 109 1HD1 LEU 109 9.349 7.251 2.043
826 2HD1 LEU 109 2HD1 LEU 109 10.360 8.445 1.230
827 3HD1 LEU 109 3HD1 LEU 109 9.443 7.273 0.282
828 1HD2 LEU 109 1HD2 LEU 109 6.737 7.434 1.646
829 2HD2 LEU 109 2HD2 LEU 109 7.072 7.537 -0.083
830 3HD2 LEU 109 3HD2 LEU 109 6.159 8.817 0.714
831 H GLY 110 H GLY 110 11.634 11.036 1.774
832 1HA GLY 110 2HA GLY 110 12.969 8.755 2.699
833 2HA GLY 110 1HA GLY 110 13.748 10.271 2.273
834 H ASP 111 H ASP 111 12.960 12.021 4.129
835 HA ASP 111 HA ASP 111 14.242 11.259 6.560
836 1HB ASP 111 2HB ASP 111 12.444 13.646 6.046
837 2HB ASP 111 1HB ASP 111 13.626 13.480 7.343
838 H HIS 112 H HIS 112 11.052 10.975 5.401
839 HA HIS 112 HA HIS 112 9.638 10.897 7.901
840 1HB HIS 112 2HB HIS 112 8.552 11.564 5.809
841 2HB HIS 112 1HB HIS 112 8.914 10.007 5.100
842 HD1 HIS 112 HD1 HIS 112 7.037 11.081 8.255
843 HD2 HIS 112 HD2 HIS 112 6.675 8.585 4.946
844 HE1 HIS 112 HE1 HIS 112 4.816 9.930 8.522
845 HE2 HIS 112 HE2 HIS 112 4.531 8.612 6.401
846 H LEU 113 H LEU 113 11.252 8.559 5.852
847 HA LEU 113 HA LEU 113 10.266 6.321 7.501
848 1HB LEU 113 2HB LEU 113 11.740 6.220 4.863
849 2HB LEU 113 1HB LEU 113 11.021 4.861 5.706
850 HG LEU 113 HG LEU 113 9.600 7.126 4.309
851 1HD1 LEU 113 1HD1 LEU 113 10.361 5.308 2.879
852 2HD1 LEU 113 2HD1 LEU 113 8.603 5.326 2.995
853 3HD1 LEU 113 3HD1 LEU 113 9.532 4.135 3.905
854 1HD2 LEU 113 1HD2 LEU 113 8.417 6.759 6.382
855 2HD2 LEU 113 2HD2 LEU 113 8.412 5.016 6.109
856 3HD2 LEU 113 3HD2 LEU 113 7.489 6.079 5.045
857 H ALA 114 H ALA 114 12.601 4.673 6.541
858 HA ALA 114 HA ALA 114 14.202 4.918 8.835
859 1HB ALA 114 1HB ALA 114 14.889 3.511 6.251
860 2HB ALA 114 2HB ALA 114 13.923 2.827 7.558
861 3HB ALA 114 3HB ALA 114 15.620 3.224 7.831
862 H LEU 115 H LEU 115 15.672 6.417 9.309
863 HA LEU 115 HA LEU 115 16.904 8.060 7.250
864 1HB LEU 115 2HB LEU 115 16.026 8.980 9.395
865 2HB LEU 115 1HB LEU 115 17.258 8.088 10.259
866 HG LEU 115 HG LEU 115 18.174 10.018 8.165
867 1HD1 LEU 115 1HD1 LEU 115 17.187 10.870 10.891
868 2HD1 LEU 115 2HD1 LEU 115 16.452 11.290 9.343
869 3HD1 LEU 115 3HD1 LEU 115 18.061 11.886 9.744
870 1HD2 LEU 115 1HD2 LEU 115 19.189 9.279 10.915
871 2HD2 LEU 115 2HD2 LEU 115 19.983 10.383 9.791
872 3HD2 LEU 115 3HD2 LEU 115 19.814 8.678 9.379
873 H GLU 116 H GLU 116 17.574 5.117 8.643
874 HA GLU 116 HA GLU 116 19.334 3.672 8.564
875 1HB GLU 116 2HB GLU 116 20.815 5.814 7.013
876 2HB GLU 116 1HB GLU 116 21.234 4.111 7.108
877 1HG GLU 116 2HG GLU 116 19.365 3.486 5.787
878 2HG GLU 116 1HG GLU 116 18.658 5.099 5.912
Start of MODEL 19
1 1H MET 1 1H MET 1 5.594 -3.776 15.514
2 2H MET 1 2H MET 1 6.080 -3.173 17.015
3 3H MET 1 3H MET 1 6.911 -4.471 16.319
4 HA MET 1 HA MET 1 6.784 -1.716 15.234
5 1HB MET 1 2HB MET 1 8.154 -2.155 17.369
6 2HB MET 1 1HB MET 1 9.216 -3.120 16.354
7 1HG MET 1 2HG MET 1 8.630 -0.179 16.049
8 2HG MET 1 1HG MET 1 10.114 -0.898 16.666
9 1HE MET 1 1HE MET 1 11.346 0.559 13.278
10 2HE MET 1 2HE MET 1 11.610 0.468 15.019
11 3HE MET 1 3HE MET 1 10.178 1.281 14.385
12 H THR 2 H THR 2 6.287 -2.381 13.146
13 HA THR 2 HA THR 2 8.420 -3.173 11.448
14 HB THR 2 HB THR 2 6.956 -5.238 10.544
15 HG1 THR 2 HG1 THR 2 5.868 -6.285 12.091
16 1HG2 THR 2 1HG2 THR 2 9.340 -5.356 11.135
17 2HG2 THR 2 2HG2 THR 2 8.456 -6.779 11.688
18 3HG2 THR 2 3HG2 THR 2 8.906 -5.519 12.837
19 H LEU 3 H LEU 3 7.643 -1.179 10.540
20 HA LEU 3 HA LEU 3 4.926 -1.088 9.506
21 1HB LEU 3 2HB LEU 3 7.142 0.965 9.481
22 2HB LEU 3 1HB LEU 3 5.525 1.245 8.861
23 HG LEU 3 HG LEU 3 6.206 0.613 11.740
24 1HD1 LEU 3 1HD1 LEU 3 6.952 2.847 11.083
25 2HD1 LEU 3 2HD1 LEU 3 5.591 2.926 12.202
26 3HD1 LEU 3 3HD1 LEU 3 5.335 3.213 10.481
27 1HD2 LEU 3 1HD2 LEU 3 3.574 1.327 10.445
28 2HD2 LEU 3 2HD2 LEU 3 3.853 1.181 12.180
29 3HD2 LEU 3 3HD2 LEU 3 4.011 -0.235 11.141
30 H ILE 4 H ILE 4 4.526 -2.048 7.605
31 HA ILE 4 HA ILE 4 6.427 -1.713 5.388
32 HB ILE 4 HB ILE 4 4.960 -3.270 4.126
33 1HG1 ILE 4 2HG1 ILE 4 3.440 -3.485 6.745
34 2HG1 ILE 4 1HG1 ILE 4 2.820 -2.791 5.251
35 1HG2 ILE 4 1HG2 ILE 4 5.560 -5.293 5.377
36 2HG2 ILE 4 2HG2 ILE 4 5.877 -4.316 6.810
37 3HG2 ILE 4 3HG2 ILE 4 6.880 -4.124 5.371
38 1HD1 ILE 4 1HD1 ILE 4 1.938 -5.010 5.592
39 2HD1 ILE 4 2HD1 ILE 4 3.567 -5.672 5.713
40 3HD1 ILE 4 3HD1 ILE 4 3.001 -5.000 4.184
41 H TYR 5 H TYR 5 5.840 -0.627 3.459
42 HA TYR 5 HA TYR 5 3.602 1.264 3.853
43 1HB TYR 5 2HB TYR 5 6.337 1.778 2.666
44 2HB TYR 5 1HB TYR 5 5.017 2.944 2.659
45 HD1 TYR 5 HD2 TYR 5 7.412 1.131 4.809
46 HD2 TYR 5 HD1 TYR 5 4.424 4.163 4.650
47 HE1 TYR 5 HE2 TYR 5 8.073 1.899 7.054
48 HE2 TYR 5 HE1 TYR 5 5.079 4.933 6.889
49 HH TYR 5 HH TYR 5 6.192 4.094 8.871
50 H LYS 6 H LYS 6 2.416 1.957 2.096
51 HA LYS 6 HA LYS 6 2.977 0.935 -0.573
52 1HB LYS 6 2HB LYS 6 1.781 -0.905 0.517
53 2HB LYS 6 1HB LYS 6 0.470 0.181 0.952
54 1HG LYS 6 2HG LYS 6 -0.216 0.405 -1.308
55 2HG LYS 6 1HG LYS 6 1.259 -0.367 -1.901
56 1HD LYS 6 2HD LYS 6 0.595 -2.476 -0.882
57 2HD LYS 6 1HD LYS 6 -0.850 -1.721 -0.209
58 1HE LYS 6 2HE LYS 6 -1.822 -1.454 -2.339
59 2HE LYS 6 1HE LYS 6 -0.303 -1.781 -3.165
60 1HZ LYS 6 1HZ LYS 6 -1.878 -3.737 -1.593
61 2HZ LYS 6 2HZ LYS 6 -0.406 -4.056 -2.357
62 3HZ LYS 6 3HZ LYS 6 -1.768 -3.676 -3.280
63 H ILE 7 H ILE 7 2.629 2.587 -1.935
64 HA ILE 7 HA ILE 7 0.962 4.832 -1.063
65 HB ILE 7 HB ILE 7 2.810 4.682 -3.466
66 1HG1 ILE 7 2HG1 ILE 7 4.236 6.259 -2.004
67 2HG1 ILE 7 1HG1 ILE 7 3.274 5.683 -0.649
68 1HG2 ILE 7 1HG2 ILE 7 2.633 7.140 -3.475
69 2HG2 ILE 7 2HG2 ILE 7 1.455 7.049 -2.165
70 3HG2 ILE 7 3HG2 ILE 7 1.074 6.359 -3.742
71 1HD1 ILE 7 1HD1 ILE 7 4.045 3.411 -1.058
72 2HD1 ILE 7 2HD1 ILE 7 5.400 4.515 -0.824
73 3HD1 ILE 7 3HD1 ILE 7 4.978 3.970 -2.447
74 H LEU 8 H LEU 8 -0.709 5.726 -2.298
75 HA LEU 8 HA LEU 8 -1.405 4.707 -4.905
76 1HB LEU 8 2HB LEU 8 -3.556 3.813 -4.416
77 2HB LEU 8 1HB LEU 8 -2.413 3.013 -3.355
78 HG LEU 8 HG LEU 8 -4.234 5.285 -2.519
79 1HD1 LEU 8 1HD1 LEU 8 -5.526 3.305 -3.059
80 2HD1 LEU 8 2HD1 LEU 8 -5.508 3.579 -1.319
81 3HD1 LEU 8 3HD1 LEU 8 -4.490 2.322 -2.024
82 1HD2 LEU 8 1HD2 LEU 8 -3.588 4.661 -0.240
83 2HD2 LEU 8 2HD2 LEU 8 -2.194 5.174 -1.189
84 3HD2 LEU 8 3HD2 LEU 8 -2.467 3.459 -0.883
85 H SER 9 H SER 9 -3.517 5.800 -5.694
86 HA SER 9 HA SER 9 -3.403 8.612 -5.016
87 1HB SER 9 2HB SER 9 -3.777 8.095 -7.336
88 2HB SER 9 1HB SER 9 -5.168 7.082 -6.945
89 HG SER 9 HG SER 9 -5.248 9.590 -7.563
90 H ARG 10 H ARG 10 -5.005 9.861 -4.057
91 HA ARG 10 HA ARG 10 -6.485 8.729 -1.969
92 1HB ARG 10 2HB ARG 10 -5.803 11.087 -2.017
93 2HB ARG 10 1HB ARG 10 -6.905 11.392 -3.352
94 1HG ARG 10 2HG ARG 10 -7.840 12.192 -1.264
95 2HG ARG 10 1HG ARG 10 -8.811 10.866 -1.905
96 1HD ARG 10 2HD ARG 10 -7.651 9.318 -0.357
97 2HD ARG 10 1HD ARG 10 -6.767 10.690 0.314
98 HE ARG 10 HE ARG 10 -9.605 11.052 0.408
99 1HH1 ARG 10 1HH1 ARG 10 -6.936 9.601 2.021
100 2HH1 ARG 10 2HH1 ARG 10 -7.728 9.562 3.555
101 1HH2 ARG 10 1HH2 ARG 10 -10.621 11.026 2.379
102 2HH2 ARG 10 2HH2 ARG 10 -9.799 10.393 3.761
103 H ALA 11 H ALA 11 -7.361 9.294 -5.314
104 HA ALA 11 HA ALA 11 -10.162 9.095 -5.123
105 1HB ALA 11 1HB ALA 11 -10.129 8.588 -7.504
106 2HB ALA 11 2HB ALA 11 -8.402 8.241 -7.424
107 3HB ALA 11 3HB ALA 11 -8.984 9.880 -7.135
108 H GLU 12 H GLU 12 -7.876 6.514 -6.124
109 HA GLU 12 HA GLU 12 -9.713 4.396 -5.956
110 1HB GLU 12 2HB GLU 12 -6.695 4.433 -5.766
111 2HB GLU 12 1HB GLU 12 -7.620 2.941 -5.715
112 1HG GLU 12 2HG GLU 12 -6.871 3.191 -7.935
113 2HG GLU 12 1HG GLU 12 -8.590 3.570 -7.940
114 H TRP 13 H TRP 13 -7.696 5.879 -3.484
115 HA TRP 13 HA TRP 13 -7.944 3.871 -1.518
116 1HB TRP 13 2HB TRP 13 -6.226 5.580 -1.357
117 2HB TRP 13 1HB TRP 13 -7.446 6.842 -1.232
118 HD1 TRP 13 HD1 TRP 13 -7.311 7.744 1.144
119 HE1 TRP 13 HE1 TRP 13 -7.230 6.736 3.503
120 HE3 TRP 13 HE3 TRP 13 -7.046 2.785 -0.090
121 HZ2 TRP 13 HZ2 TRP 13 -7.092 4.187 4.695
122 HZ3 TRP 13 HZ3 TRP 13 -6.950 1.125 1.723
123 HH2 TRP 13 HH2 TRP 13 -6.972 1.813 4.069
124 H ASP 14 H ASP 14 -9.848 6.861 -2.016
125 HA ASP 14 HA ASP 14 -11.618 6.378 0.152
126 1HB ASP 14 2HB ASP 14 -11.153 8.526 -1.395
127 2HB ASP 14 1HB ASP 14 -12.592 7.922 -2.209
128 H ALA 15 H ALA 15 -11.754 5.645 -3.300
129 HA ALA 15 HA ALA 15 -14.277 4.440 -3.439
130 1HB ALA 15 1HB ALA 15 -11.795 3.709 -5.006
131 2HB ALA 15 2HB ALA 15 -12.890 5.036 -5.394
132 3HB ALA 15 3HB ALA 15 -13.464 3.369 -5.468
133 H ALA 16 H ALA 16 -11.156 3.141 -2.407
134 HA ALA 16 HA ALA 16 -11.913 0.447 -2.071
135 1HB ALA 16 1HB ALA 16 -9.860 2.014 -0.502
136 2HB ALA 16 2HB ALA 16 -9.578 1.213 -2.048
137 3HB ALA 16 3HB ALA 16 -9.970 0.257 -0.619
138 H LYS 17 H LYS 17 -12.029 3.210 0.168
139 HA LYS 17 HA LYS 17 -13.061 1.839 2.401
140 1HB LYS 17 2HB LYS 17 -13.492 4.716 1.562
141 2HB LYS 17 1HB LYS 17 -13.877 4.063 3.150
142 1HG LYS 17 2HG LYS 17 -11.485 3.516 3.469
143 2HG LYS 17 1HG LYS 17 -11.132 4.266 1.909
144 1HD LYS 17 2HD LYS 17 -12.041 6.399 2.748
145 2HD LYS 17 1HD LYS 17 -12.349 5.642 4.312
146 1HE LYS 17 2HE LYS 17 -9.927 5.181 4.522
147 2HE LYS 17 1HE LYS 17 -9.658 6.033 3.001
148 1HZ LYS 17 1HZ LYS 17 -9.246 7.476 4.881
149 2HZ LYS 17 2HZ LYS 17 -10.803 7.208 5.476
150 3HZ LYS 17 3HZ LYS 17 -10.591 8.031 4.017
151 H ALA 18 H ALA 18 -14.664 3.251 -0.406
152 HA ALA 18 HA ALA 18 -17.330 3.075 0.407
153 1HB ALA 18 1HB ALA 18 -16.235 2.677 -2.379
154 2HB ALA 18 2HB ALA 18 -16.592 4.233 -1.628
155 3HB ALA 18 3HB ALA 18 -17.898 3.095 -1.963
156 H GLN 19 H GLN 19 -15.151 0.554 -0.664
157 HA GLN 19 HA GLN 19 -17.330 -1.430 -0.455
158 1HB GLN 19 2HB GLN 19 -15.766 -2.972 -1.656
159 2HB GLN 19 1HB GLN 19 -16.251 -1.564 -2.592
160 1HG GLN 19 2HG GLN 19 -14.118 -0.489 -2.115
161 2HG GLN 19 1HG GLN 19 -13.629 -1.867 -1.131
162 1HE2 GLN 19 1HE2 GLN 19 -12.400 -0.738 -3.533
163 2HE2 GLN 19 2HE2 GLN 19 -12.328 -2.025 -4.679
164 H GLY 20 H GLY 20 -14.951 -0.119 1.393
165 1HA GLY 20 2HA GLY 20 -14.247 -0.678 3.512
166 2HA GLY 20 1HA GLY 20 -15.223 -2.129 3.403
167 H ARG 21 H ARG 21 -13.179 -2.156 0.775
168 HA ARG 21 HA ARG 21 -11.063 -3.605 2.227
169 1HB ARG 21 2HB ARG 21 -11.194 -5.478 0.641
170 2HB ARG 21 1HB ARG 21 -12.718 -5.280 1.501
171 1HG ARG 21 2HG ARG 21 -13.736 -4.238 -0.411
172 2HG ARG 21 1HG ARG 21 -12.196 -4.195 -1.267
173 1HD ARG 21 2HD ARG 21 -12.162 -6.667 -1.271
174 2HD ARG 21 1HD ARG 21 -13.741 -6.671 -0.483
175 HE ARG 21 HE ARG 21 -14.385 -5.289 -2.586
176 1HH1 ARG 21 1HH1 ARG 21 -12.249 -8.001 -2.504
177 2HH1 ARG 21 2HH1 ARG 21 -12.585 -8.439 -4.139
178 1HH2 ARG 21 1HH2 ARG 21 -14.793 -5.887 -4.689
179 2HH2 ARG 21 2HH2 ARG 21 -13.997 -7.275 -5.349
180 H PHE 22 H PHE 22 -9.073 -3.815 1.090
181 HA PHE 22 HA PHE 22 -8.889 -2.424 -1.502
182 1HB PHE 22 2HB PHE 22 -7.889 -1.070 0.399
183 2HB PHE 22 1HB PHE 22 -6.704 -2.356 0.601
184 HD1 PHE 22 HD2 PHE 22 -8.085 -0.070 -1.989
185 HD2 PHE 22 HD1 PHE 22 -4.676 -2.229 -0.603
186 HE1 PHE 22 HE2 PHE 22 -6.711 0.985 -3.731
187 HE2 PHE 22 HE1 PHE 22 -3.305 -1.165 -2.338
188 HZ PHE 22 HZ PHE 22 -4.316 0.439 -3.907
189 H GLU 23 H GLU 23 -7.057 -3.141 -2.817
190 HA GLU 23 HA GLU 23 -5.688 -4.666 -3.786
191 1HB GLU 23 2HB GLU 23 -5.808 -6.186 -1.178
192 2HB GLU 23 1HB GLU 23 -4.647 -6.430 -2.479
193 1HG GLU 23 2HG GLU 23 -3.754 -4.193 -2.130
194 2HG GLU 23 1HG GLU 23 -4.942 -3.903 -0.863
195 H GLY 24 H GLY 24 -5.688 -7.492 -3.733
196 1HA GLY 24 2HA GLY 24 -6.824 -9.232 -4.736
197 2HA GLY 24 1HA GLY 24 -8.294 -8.574 -4.033
198 H SER 25 H SER 25 -6.377 -6.570 -6.081
199 HA SER 25 HA SER 25 -8.540 -6.372 -8.024
200 1HB SER 25 2HB SER 25 -7.602 -4.286 -7.208
201 2HB SER 25 1HB SER 25 -5.977 -4.788 -7.672
202 HG SER 25 HG SER 25 -8.145 -4.029 -9.319
203 H ALA 26 H ALA 26 -7.486 -5.803 -10.377
204 HA ALA 26 HA ALA 26 -6.977 -8.199 -11.606
205 1HB ALA 26 1HB ALA 26 -6.300 -6.947 -13.563
206 2HB ALA 26 2HB ALA 26 -6.003 -5.514 -12.578
207 3HB ALA 26 3HB ALA 26 -7.645 -6.131 -12.765
208 H VAL 27 H VAL 27 -4.525 -5.883 -10.450
209 HA VAL 27 HA VAL 27 -2.221 -7.116 -11.440
210 HB VAL 27 HB VAL 27 -2.486 -5.657 -8.794
211 1HG1 VAL 27 1HG1 VAL 27 -0.100 -5.117 -9.111
212 2HG1 VAL 27 2HG1 VAL 27 -0.066 -6.144 -10.546
213 3HG1 VAL 27 3HG1 VAL 27 -0.372 -6.853 -8.960
214 1HG2 VAL 27 1HG2 VAL 27 -3.365 -4.328 -10.649
215 2HG2 VAL 27 2HG2 VAL 27 -1.863 -4.566 -11.544
216 3HG2 VAL 27 3HG2 VAL 27 -1.857 -3.646 -10.040
217 H ASP 28 H ASP 28 -4.034 -7.797 -8.475
218 HA ASP 28 HA ASP 28 -2.217 -9.688 -7.376
219 1HB ASP 28 2HB ASP 28 -3.781 -8.659 -5.904
220 2HB ASP 28 1HB ASP 28 -5.145 -9.105 -6.918
221 H LEU 29 H LEU 29 -5.265 -10.113 -9.200
222 HA LEU 29 HA LEU 29 -5.097 -12.933 -9.378
223 1HB LEU 29 2HB LEU 29 -6.603 -10.910 -11.033
224 2HB LEU 29 1HB LEU 29 -6.728 -12.635 -11.310
225 HG LEU 29 HG LEU 29 -8.627 -11.975 -10.030
226 1HD1 LEU 29 1HD1 LEU 29 -7.680 -14.110 -9.391
227 2HD1 LEU 29 2HD1 LEU 29 -8.382 -13.305 -7.989
228 3HD1 LEU 29 3HD1 LEU 29 -6.633 -13.321 -8.211
229 1HD2 LEU 29 1HD2 LEU 29 -8.483 -10.851 -7.870
230 2HD2 LEU 29 2HD2 LEU 29 -7.790 -9.860 -9.153
231 3HD2 LEU 29 3HD2 LEU 29 -6.732 -10.728 -8.039
232 H ALA 30 H ALA 30 -3.644 -10.394 -11.253
233 HA ALA 30 HA ALA 30 -2.995 -12.009 -13.538
234 1HB ALA 30 1HB ALA 30 -1.858 -9.340 -12.694
235 2HB ALA 30 2HB ALA 30 -3.292 -9.573 -13.696
236 3HB ALA 30 3HB ALA 30 -1.712 -10.085 -14.288
237 H ASP 31 H ASP 31 -1.017 -10.592 -10.922
238 HA ASP 31 HA ASP 31 1.332 -12.000 -11.830
239 1HB ASP 31 2HB ASP 31 1.362 -9.687 -10.874
240 2HB ASP 31 1HB ASP 31 0.964 -10.376 -9.305
241 H GLY 32 H GLY 32 -1.066 -12.466 -9.308
242 1HA GLY 32 2HA GLY 32 -1.355 -14.824 -8.611
243 2HA GLY 32 1HA GLY 32 0.391 -14.907 -8.450
244 H PHE 33 H PHE 33 0.437 -12.172 -7.250
245 HA PHE 33 HA PHE 33 -0.997 -12.457 -4.748
246 1HB PHE 33 2HB PHE 33 1.157 -12.211 -3.415
247 2HB PHE 33 1HB PHE 33 0.867 -13.787 -4.140
248 HD1 PHE 33 HD1 PHE 33 2.686 -10.583 -4.745
249 HD2 PHE 33 HD2 PHE 33 2.511 -14.784 -5.443
250 HE1 PHE 33 HE1 PHE 33 4.885 -10.496 -5.836
251 HE2 PHE 33 HE2 PHE 33 4.715 -14.699 -6.531
252 HZ PHE 33 HZ PHE 33 5.904 -12.551 -6.730
253 H ILE 34 H ILE 34 -0.521 -10.600 -3.256
254 HA ILE 34 HA ILE 34 -0.717 -8.154 -4.768
255 HB ILE 34 HB ILE 34 -0.711 -8.525 -1.764
256 1HG1 ILE 34 2HG1 ILE 34 -3.068 -8.418 -3.676
257 2HG1 ILE 34 1HG1 ILE 34 -2.456 -9.885 -2.917
258 1HG2 ILE 34 1HG2 ILE 34 -1.749 -6.274 -3.497
259 2HG2 ILE 34 2HG2 ILE 34 -0.310 -6.219 -2.479
260 3HG2 ILE 34 3HG2 ILE 34 -1.902 -6.381 -1.745
261 1HD1 ILE 34 1HD1 ILE 34 -4.438 -9.009 -1.800
262 2HD1 ILE 34 2HD1 ILE 34 -3.579 -7.505 -1.458
263 3HD1 ILE 34 3HD1 ILE 34 -3.035 -9.020 -0.733
264 H HIS 35 H HIS 35 0.602 -6.291 -4.519
265 HA HIS 35 HA HIS 35 3.381 -6.892 -3.708
266 1HB HIS 35 2HB HIS 35 2.334 -4.996 -5.823
267 2HB HIS 35 1HB HIS 35 4.024 -5.111 -5.348
268 HD1 HIS 35 HD1 HIS 35 5.037 -6.071 -7.419
269 HD2 HIS 35 HD2 HIS 35 1.688 -8.193 -6.186
270 HE1 HIS 35 HE1 HIS 35 4.949 -8.103 -8.885
271 HE2 HIS 35 HE2 HIS 35 3.024 -9.450 -7.996
272 H LEU 36 H LEU 36 4.026 -5.892 -1.896
273 HA LEU 36 HA LEU 36 3.204 -3.080 -1.473
274 1HB LEU 36 2HB LEU 36 3.936 -5.165 0.594
275 2HB LEU 36 1HB LEU 36 3.753 -3.459 0.950
276 HG LEU 36 HG LEU 36 1.353 -3.715 0.028
277 1HD1 LEU 36 1HD1 LEU 36 0.395 -5.969 0.274
278 2HD1 LEU 36 2HD1 LEU 36 2.018 -6.615 0.511
279 3HD1 LEU 36 3HD1 LEU 36 1.581 -5.873 -1.027
280 1HD2 LEU 36 1HD2 LEU 36 1.852 -3.328 2.376
281 2HD2 LEU 36 2HD2 LEU 36 2.131 -5.053 2.617
282 3HD2 LEU 36 3HD2 LEU 36 0.518 -4.471 2.202
283 H SER 37 H SER 37 5.076 -2.161 0.264
284 HA SER 37 HA SER 37 7.716 -2.878 -0.785
285 1HB SER 37 2HB SER 37 6.521 -0.109 -1.091
286 2HB SER 37 1HB SER 37 8.226 -0.486 -1.340
287 HG SER 37 HG SER 37 6.806 -2.223 -2.758
288 H ALA 38 H ALA 38 9.490 -2.137 0.442
289 HA ALA 38 HA ALA 38 8.887 -1.413 3.202
290 1HB ALA 38 1HB ALA 38 11.546 -2.015 1.892
291 2HB ALA 38 2HB ALA 38 10.529 -3.188 2.725
292 3HB ALA 38 3HB ALA 38 11.249 -1.852 3.623
293 H GLY 39 H GLY 39 11.188 0.059 3.864
294 1HA GLY 39 2HA GLY 39 10.271 2.667 3.473
295 2HA GLY 39 1HA GLY 39 11.867 2.239 4.055
296 H GLU 40 H GLU 40 13.430 1.541 2.242
297 HA GLU 40 HA GLU 40 13.756 3.758 0.532
298 1HB GLU 40 2HB GLU 40 15.700 2.649 -0.347
299 2HB GLU 40 1HB GLU 40 15.625 2.352 1.381
300 1HG GLU 40 2HG GLU 40 14.820 0.401 -0.776
301 2HG GLU 40 1HG GLU 40 16.333 0.376 0.125
302 H GLN 41 H GLN 41 12.481 0.524 -0.079
303 HA GLN 41 HA GLN 41 12.283 0.641 -2.878
304 1HB GLN 41 2HB GLN 41 11.965 -1.391 -1.436
305 2HB GLN 41 1HB GLN 41 10.383 -0.767 -0.996
306 1HG GLN 41 2HG GLN 41 10.013 -2.368 -2.680
307 2HG GLN 41 1HG GLN 41 9.813 -0.794 -3.450
308 1HE2 GLN 41 1HE2 GLN 41 11.828 -3.609 -3.177
309 2HE2 GLN 41 2HE2 GLN 41 12.776 -3.306 -4.584
310 H ALA 42 H ALA 42 9.924 1.571 -0.371
311 HA ALA 42 HA ALA 42 7.802 2.222 -2.103
312 1HB ALA 42 1HB ALA 42 6.852 3.429 -0.195
313 2HB ALA 42 2HB ALA 42 8.399 3.320 0.645
314 3HB ALA 42 3HB ALA 42 7.487 1.855 0.286
315 H GLN 43 H GLN 43 10.406 4.238 -0.761
316 HA GLN 43 HA GLN 43 9.525 6.723 -1.721
317 1HB GLN 43 2HB GLN 43 11.304 6.494 -0.050
318 2HB GLN 43 1HB GLN 43 12.355 5.749 -1.245
319 1HG GLN 43 2HG GLN 43 12.953 8.080 -0.854
320 2HG GLN 43 1HG GLN 43 12.426 7.822 -2.516
321 1HE2 GLN 43 1HE2 GLN 43 10.461 8.715 -3.194
322 2HE2 GLN 43 2HE2 GLN 43 9.644 9.935 -2.283
323 H GLU 44 H GLU 44 11.760 4.379 -3.232
324 HA GLU 44 HA GLU 44 12.120 5.952 -5.595
325 1HB GLU 44 2HB GLU 44 12.816 3.088 -4.936
326 2HB GLU 44 1HB GLU 44 13.201 3.839 -6.482
327 1HG GLU 44 2HG GLU 44 14.532 5.539 -5.334
328 2HG GLU 44 1HG GLU 44 14.146 4.798 -3.783
329 H THR 45 H THR 45 10.112 3.085 -4.857
330 HA THR 45 HA THR 45 8.990 2.746 -7.412
331 HB THR 45 HB THR 45 7.628 2.267 -4.744
332 HG1 THR 45 HG1 THR 45 9.041 0.699 -4.636
333 1HG2 THR 45 1HG2 THR 45 6.006 2.322 -6.580
334 2HG2 THR 45 2HG2 THR 45 6.221 0.670 -5.997
335 3HG2 THR 45 3HG2 THR 45 6.990 1.181 -7.499
336 H ALA 46 H ALA 46 7.966 4.845 -4.734
337 HA ALA 46 HA ALA 46 5.642 5.908 -5.882
338 1HB ALA 46 1HB ALA 46 6.265 6.243 -3.529
339 2HB ALA 46 2HB ALA 46 5.910 7.773 -4.333
340 3HB ALA 46 3HB ALA 46 7.584 7.301 -4.031
341 H ALA 47 H ALA 47 9.026 6.980 -6.144
342 HA ALA 47 HA ALA 47 8.656 9.276 -7.691
343 1HB ALA 47 1HB ALA 47 10.970 7.338 -7.801
344 2HB ALA 47 2HB ALA 47 10.787 8.659 -6.648
345 3HB ALA 47 3HB ALA 47 10.984 9.010 -8.365
346 H LYS 48 H LYS 48 8.717 5.894 -8.683
347 HA LYS 48 HA LYS 48 8.705 6.494 -11.505
348 1HB LYS 48 2HB LYS 48 8.419 3.969 -9.885
349 2HB LYS 48 1HB LYS 48 8.224 3.977 -11.625
350 1HG LYS 48 2HG LYS 48 10.496 4.709 -11.937
351 2HG LYS 48 1HG LYS 48 10.706 4.898 -10.194
352 1HD LYS 48 2HD LYS 48 10.505 2.527 -9.849
353 2HD LYS 48 1HD LYS 48 10.067 2.269 -11.541
354 1HE LYS 48 2HE LYS 48 12.421 1.680 -11.048
355 2HE LYS 48 1HE LYS 48 12.270 2.946 -12.263
356 1HZ LYS 48 1HZ LYS 48 14.007 3.412 -10.627
357 2HZ LYS 48 2HZ LYS 48 12.862 3.415 -9.389
358 3HZ LYS 48 3HZ LYS 48 12.797 4.592 -10.601
359 H TRP 49 H TRP 49 6.367 4.843 -9.369
360 HA TRP 49 HA TRP 49 4.348 4.788 -11.394
361 1HB TRP 49 2HB TRP 49 4.270 4.059 -8.458
362 2HB TRP 49 1HB TRP 49 2.948 3.768 -9.585
363 HD1 TRP 49 HD1 TRP 49 6.744 3.038 -10.011
364 HE1 TRP 49 HE1 TRP 49 7.015 0.561 -10.631
365 HE3 TRP 49 HE3 TRP 49 1.844 1.609 -9.734
366 HZ2 TRP 49 HZ2 TRP 49 5.361 -1.711 -10.949
367 HZ3 TRP 49 HZ3 TRP 49 1.270 -0.738 -10.204
368 HH2 TRP 49 HH2 TRP 49 2.995 -2.364 -10.800
369 H PHE 50 H PHE 50 4.865 6.733 -8.488
370 HA PHE 50 HA PHE 50 2.426 8.288 -9.121
371 1HB PHE 50 2HB PHE 50 3.705 7.822 -6.411
372 2HB PHE 50 1HB PHE 50 2.237 8.746 -6.718
373 HD1 PHE 50 HD2 PHE 50 0.205 7.561 -7.599
374 HD2 PHE 50 HD1 PHE 50 3.638 5.464 -6.187
375 HE1 PHE 50 HE2 PHE 50 -1.137 5.511 -7.383
376 HE2 PHE 50 HE1 PHE 50 2.300 3.412 -5.982
377 HZ PHE 50 HZ PHE 50 -0.090 3.433 -6.578
378 H ARG 51 H ARG 51 4.977 8.745 -10.241
379 HA ARG 51 HA ARG 51 6.826 10.368 -9.252
380 1HB ARG 51 2HB ARG 51 6.938 11.473 -11.537
381 2HB ARG 51 1HB ARG 51 7.001 9.715 -11.508
382 1HG ARG 51 2HG ARG 51 4.617 9.618 -12.084
383 2HG ARG 51 1HG ARG 51 4.561 11.381 -12.121
384 1HD ARG 51 2HD ARG 51 6.302 9.666 -13.897
385 2HD ARG 51 1HD ARG 51 4.749 10.358 -14.369
386 HE ARG 51 HE ARG 51 7.019 12.058 -13.566
387 1HH1 ARG 51 1HH1 ARG 51 4.491 11.255 -15.749
388 2HH1 ARG 51 2HH1 ARG 51 4.847 12.561 -16.824
389 1HH2 ARG 51 1HH2 ARG 51 7.456 13.761 -14.940
390 2HH2 ARG 51 2HH2 ARG 51 6.494 13.965 -16.364
391 H GLY 52 H GLY 52 3.778 11.726 -10.493
392 1HA GLY 52 2HA GLY 52 4.023 13.990 -8.686
393 2HA GLY 52 1HA GLY 52 4.201 14.384 -10.388
394 H GLN 53 H GLN 53 2.003 12.135 -8.713
395 HA GLN 53 HA GLN 53 -0.249 13.243 -10.199
396 1HB GLN 53 2HB GLN 53 -0.216 10.982 -8.190
397 2HB GLN 53 1HB GLN 53 -1.539 11.390 -9.273
398 1HG GLN 53 2HG GLN 53 -0.010 10.886 -11.190
399 2HG GLN 53 1HG GLN 53 1.169 10.303 -10.013
400 1HE2 GLN 53 1HE2 GLN 53 1.127 8.190 -10.767
401 2HE2 GLN 53 2HE2 GLN 53 -0.233 7.155 -10.545
402 H ALA 54 H ALA 54 -2.262 13.865 -9.086
403 HA ALA 54 HA ALA 54 -1.670 15.523 -6.775
404 1HB ALA 54 1HB ALA 54 -3.885 16.485 -7.125
405 2HB ALA 54 2HB ALA 54 -4.233 15.265 -8.352
406 3HB ALA 54 3HB ALA 54 -2.964 16.460 -8.631
407 H ASN 55 H ASN 55 -2.115 15.061 -4.747
408 HA ASN 55 HA ASN 55 -3.054 14.250 -2.860
409 1HB ASN 55 2HB ASN 55 -5.321 13.408 -4.686
410 2HB ASN 55 1HB ASN 55 -5.377 13.396 -2.925
411 1HD2 ASN 55 1HD2 ASN 55 -7.101 14.840 -2.960
412 2HD2 ASN 55 2HD2 ASN 55 -6.883 16.518 -3.297
413 H LEU 56 H LEU 56 -1.360 12.758 -2.615
414 HA LEU 56 HA LEU 56 -1.952 9.976 -3.421
415 1HB LEU 56 2HB LEU 56 0.700 11.325 -2.888
416 2HB LEU 56 1HB LEU 56 0.508 9.608 -3.200
417 HG LEU 56 HG LEU 56 -0.228 11.807 -5.142
418 1HD1 LEU 56 1HD1 LEU 56 1.734 11.080 -6.417
419 2HD1 LEU 56 2HD1 LEU 56 2.156 9.951 -5.128
420 3HD1 LEU 56 3HD1 LEU 56 2.187 11.689 -4.825
421 1HD2 LEU 56 1HD2 LEU 56 -1.607 9.855 -5.458
422 2HD2 LEU 56 2HD2 LEU 56 -0.192 8.801 -5.425
423 3HD2 LEU 56 3HD2 LEU 56 -0.416 9.935 -6.754
424 H VAL 57 H VAL 57 -2.224 8.481 -1.885
425 HA VAL 57 HA VAL 57 -1.790 9.257 0.921
426 HB VAL 57 HB VAL 57 -3.490 7.011 -0.199
427 1HG1 VAL 57 1HG1 VAL 57 -4.418 6.860 2.078
428 2HG1 VAL 57 2HG1 VAL 57 -3.255 8.069 2.624
429 3HG1 VAL 57 3HG1 VAL 57 -2.691 6.502 2.045
430 1HG2 VAL 57 1HG2 VAL 57 -4.304 9.710 0.898
431 2HG2 VAL 57 2HG2 VAL 57 -5.410 8.414 0.438
432 3HG2 VAL 57 3HG2 VAL 57 -4.407 9.192 -0.787
433 H LEU 58 H LEU 58 -0.274 8.289 2.113
434 HA LEU 58 HA LEU 58 1.104 5.911 1.079
435 1HB LEU 58 2HB LEU 58 2.557 7.743 1.661
436 2HB LEU 58 1HB LEU 58 1.815 7.899 3.240
437 HG LEU 58 HG LEU 58 2.738 5.673 3.861
438 1HD1 LEU 58 1HD1 LEU 58 4.486 4.676 2.454
439 2HD1 LEU 58 2HD1 LEU 58 4.135 5.857 1.193
440 3HD1 LEU 58 3HD1 LEU 58 2.912 4.674 1.660
441 1HD2 LEU 58 1HD2 LEU 58 3.924 7.709 4.477
442 2HD2 LEU 58 2HD2 LEU 58 4.775 7.700 2.932
443 3HD2 LEU 58 3HD2 LEU 58 5.062 6.414 4.105
444 H LEU 59 H LEU 59 0.012 4.110 1.664
445 HA LEU 59 HA LEU 59 -1.337 3.847 4.185
446 1HB LEU 59 2HB LEU 59 -0.680 1.768 2.090
447 2HB LEU 59 1HB LEU 59 -1.713 1.499 3.482
448 HG LEU 59 HG LEU 59 -2.259 3.376 1.179
449 1HD1 LEU 59 1HD1 LEU 59 -3.633 0.827 2.033
450 2HD1 LEU 59 2HD1 LEU 59 -2.583 1.020 0.629
451 3HD1 LEU 59 3HD1 LEU 59 -4.124 1.874 0.699
452 1HD2 LEU 59 1HD2 LEU 59 -3.894 2.840 3.661
453 2HD2 LEU 59 2HD2 LEU 59 -4.439 3.759 2.258
454 3HD2 LEU 59 3HD2 LEU 59 -3.097 4.355 3.234
455 H ALA 60 H ALA 60 -0.194 3.715 5.995
456 HA ALA 60 HA ALA 60 2.213 2.028 6.108
457 1HB ALA 60 1HB ALA 60 1.125 3.991 8.135
458 2HB ALA 60 2HB ALA 60 2.421 4.310 6.983
459 3HB ALA 60 3HB ALA 60 2.651 3.111 8.256
460 H VAL 61 H VAL 61 1.881 -0.029 6.681
461 HA VAL 61 HA VAL 61 -0.113 -0.624 8.792
462 HB VAL 61 HB VAL 61 0.573 -2.418 6.443
463 1HG1 VAL 61 1HG1 VAL 61 -1.261 -3.832 7.251
464 2HG1 VAL 61 2HG1 VAL 61 -1.492 -2.752 8.628
465 3HG1 VAL 61 3HG1 VAL 61 0.007 -3.669 8.469
466 1HG2 VAL 61 1HG2 VAL 61 -0.745 -0.499 5.710
467 2HG2 VAL 61 2HG2 VAL 61 -1.940 -0.820 6.966
468 3HG2 VAL 61 3HG2 VAL 61 -1.711 -1.974 5.652
469 H GLU 62 H GLU 62 0.675 -1.764 10.525
470 HA GLU 62 HA GLU 62 3.482 -2.563 10.402
471 1HB GLU 62 2HB GLU 62 2.733 -1.177 12.289
472 2HB GLU 62 1HB GLU 62 1.626 -2.450 12.788
473 1HG GLU 62 2HG GLU 62 3.331 -3.840 13.502
474 2HG GLU 62 1HG GLU 62 4.545 -3.035 12.511
475 H ALA 63 H ALA 63 3.826 -4.518 9.575
476 HA ALA 63 HA ALA 63 1.993 -6.731 10.061
477 1HB ALA 63 1HB ALA 63 3.336 -7.961 8.458
478 2HB ALA 63 2HB ALA 63 4.546 -6.677 8.448
479 3HB ALA 63 3HB ALA 63 2.929 -6.371 7.812
480 H GLU 64 H GLU 64 2.337 -6.978 12.347
481 HA GLU 64 HA GLU 64 4.943 -7.737 13.315
482 1HB GLU 64 2HB GLU 64 2.255 -7.814 14.695
483 2HB GLU 64 1HB GLU 64 3.798 -8.140 15.476
484 1HG GLU 64 2HG GLU 64 4.518 -5.827 14.794
485 2HG GLU 64 1HG GLU 64 2.854 -5.538 14.289
486 HA PRO 65 HA PRO 65 2.695 -12.152 13.585
487 1HB PRO 65 2HB PRO 65 1.161 -12.507 11.269
488 2HB PRO 65 1HB PRO 65 0.529 -12.263 12.899
489 1HG PRO 65 2HG PRO 65 0.903 -10.280 10.693
490 2HG PRO 65 1HG PRO 65 -0.413 -10.410 11.877
491 1HD PRO 65 2HD PRO 65 1.495 -8.553 12.139
492 2HD PRO 65 1HD PRO 65 0.841 -9.389 13.563
493 H LEU 66 H LEU 66 2.764 -11.133 10.145
494 HA LEU 66 HA LEU 66 4.210 -11.535 8.448
495 1HB LEU 66 2HB LEU 66 5.670 -10.292 10.109
496 2HB LEU 66 1HB LEU 66 6.312 -11.849 10.597
497 HG LEU 66 HG LEU 66 7.204 -12.213 8.342
498 1HD1 LEU 66 1HD1 LEU 66 5.518 -11.033 7.061
499 2HD1 LEU 66 2HD1 LEU 66 7.122 -10.412 6.675
500 3HD1 LEU 66 3HD1 LEU 66 6.050 -9.490 7.732
501 1HD2 LEU 66 1HD2 LEU 66 8.605 -11.069 9.997
502 2HD2 LEU 66 2HD2 LEU 66 7.972 -9.512 9.464
503 3HD2 LEU 66 3HD2 LEU 66 8.940 -10.494 8.364
504 H GLY 67 H GLY 67 2.907 -13.845 9.846
505 1HA GLY 67 2HA GLY 67 4.843 -16.017 9.466
506 2HA GLY 67 1HA GLY 67 3.254 -16.157 10.203
507 H GLU 68 H GLU 68 1.392 -16.189 8.828
508 HA GLU 68 HA GLU 68 1.975 -17.276 6.155
509 1HB GLU 68 2HB GLU 68 -0.604 -17.437 7.739
510 2HB GLU 68 1HB GLU 68 -0.216 -18.320 6.269
511 1HG GLU 68 2HG GLU 68 1.195 -18.648 8.915
512 2HG GLU 68 1HG GLU 68 -0.071 -19.707 8.300
513 H ASP 69 H ASP 69 1.378 -14.363 7.346
514 HA ASP 69 HA ASP 69 -0.713 -13.549 5.478
515 1HB ASP 69 2HB ASP 69 -0.394 -11.297 6.647
516 2HB ASP 69 1HB ASP 69 -1.022 -12.616 7.628
517 H LEU 70 H LEU 70 2.523 -12.281 6.344
518 HA LEU 70 HA LEU 70 2.785 -11.294 3.576
519 1HB LEU 70 2HB LEU 70 2.814 -9.592 5.385
520 2HB LEU 70 1HB LEU 70 4.237 -10.362 6.057
521 HG LEU 70 HG LEU 70 5.479 -9.837 3.962
522 1HD1 LEU 70 1HD1 LEU 70 3.540 -9.741 2.446
523 2HD1 LEU 70 2HD1 LEU 70 4.547 -8.298 2.339
524 3HD1 LEU 70 3HD1 LEU 70 3.022 -8.243 3.224
525 1HD2 LEU 70 1HD2 LEU 70 5.671 -8.349 5.867
526 2HD2 LEU 70 2HD2 LEU 70 4.220 -7.478 5.366
527 3HD2 LEU 70 3HD2 LEU 70 5.675 -7.417 4.370
528 H LYS 71 H LYS 71 4.747 -11.579 2.452
529 HA LYS 71 HA LYS 71 6.597 -13.597 3.536
530 1HB LYS 71 2HB LYS 71 4.913 -14.802 2.301
531 2HB LYS 71 1HB LYS 71 5.086 -13.734 0.923
532 1HG LYS 71 2HG LYS 71 7.084 -14.719 0.246
533 2HG LYS 71 1HG LYS 71 7.399 -15.412 1.842
534 1HD LYS 71 2HD LYS 71 5.744 -17.078 1.567
535 2HD LYS 71 1HD LYS 71 5.007 -16.237 0.205
536 1HE LYS 71 2HE LYS 71 7.816 -17.291 0.043
537 2HE LYS 71 1HE LYS 71 6.427 -18.337 -0.262
538 1HZ LYS 71 1HZ LYS 71 5.712 -16.681 -1.958
539 2HZ LYS 71 2HZ LYS 71 7.158 -17.467 -2.330
540 3HZ LYS 71 3HZ LYS 71 7.189 -15.883 -1.750
541 H TRP 72 H TRP 72 8.396 -12.324 3.649
542 HA TRP 72 HA TRP 72 9.207 -10.480 1.623
543 1HB TRP 72 2HB TRP 72 10.742 -11.747 3.907
544 2HB TRP 72 1HB TRP 72 11.417 -10.517 2.844
545 HD1 TRP 72 HD1 TRP 72 8.930 -10.954 5.716
546 HE1 TRP 72 HE1 TRP 72 8.332 -8.630 6.648
547 HE3 TRP 72 HE3 TRP 72 11.201 -8.044 2.171
548 HZ2 TRP 72 HZ2 TRP 72 8.759 -5.921 5.966
549 HZ3 TRP 72 HZ3 TRP 72 11.057 -5.596 2.384
550 HH2 TRP 72 HH2 TRP 72 9.859 -4.557 4.243
551 H GLU 73 H GLU 73 10.133 -10.911 -0.295
552 HA GLU 73 HA GLU 73 11.812 -13.231 -0.711
553 1HB GLU 73 2HB GLU 73 9.579 -14.215 -0.722
554 2HB GLU 73 1HB GLU 73 9.049 -13.057 -1.929
555 1HG GLU 73 2HG GLU 73 10.469 -14.057 -3.592
556 2HG GLU 73 1HG GLU 73 11.181 -15.136 -2.386
557 H ALA 74 H ALA 74 13.002 -13.131 -2.641
558 HA ALA 74 HA ALA 74 12.445 -10.987 -4.545
559 1HB ALA 74 1HB ALA 74 14.639 -9.949 -4.301
560 2HB ALA 74 2HB ALA 74 15.034 -11.059 -2.988
561 3HB ALA 74 3HB ALA 74 13.742 -9.876 -2.783
562 H SER 75 H SER 75 13.747 -11.075 -6.473
563 HA SER 75 HA SER 75 15.617 -13.255 -6.859
564 1HB SER 75 2HB SER 75 12.972 -13.188 -8.325
565 2HB SER 75 1HB SER 75 14.373 -14.059 -8.942
566 HG SER 75 HG SER 75 13.549 -14.533 -6.300
567 H ARG 76 H ARG 76 17.234 -12.547 -8.084
568 HA ARG 76 HA ARG 76 18.449 -11.511 -9.693
569 1HB ARG 76 2HB ARG 76 15.715 -11.133 -10.887
570 2HB ARG 76 1HB ARG 76 17.123 -10.386 -11.628
571 1HG ARG 76 2HG ARG 76 16.583 -12.499 -12.704
572 2HG ARG 76 1HG ARG 76 18.157 -12.581 -11.915
573 1HD ARG 76 2HD ARG 76 17.133 -13.765 -10.020
574 2HD ARG 76 1HD ARG 76 15.563 -13.687 -10.820
575 HE ARG 76 HE ARG 76 16.628 -15.059 -12.621
576 1HH1 ARG 76 1HH1 ARG 76 17.836 -15.165 -9.393
577 2HH1 ARG 76 2HH1 ARG 76 18.489 -16.753 -9.576
578 1HH2 ARG 76 1HH2 ARG 76 17.450 -17.087 -12.839
579 2HH2 ARG 76 2HH2 ARG 76 18.287 -17.833 -11.518
580 H GLY 77 H GLY 77 15.629 -9.348 -9.141
581 1HA GLY 77 2HA GLY 77 17.040 -6.952 -9.483
582 2HA GLY 77 1HA GLY 77 15.524 -7.116 -8.621
583 H GLY 78 H GLY 78 17.172 -9.093 -6.796
584 1HA GLY 78 2HA GLY 78 18.550 -8.954 -4.935
585 2HA GLY 78 1HA GLY 78 19.005 -7.333 -5.428
586 H ALA 79 H ALA 79 16.537 -6.061 -5.432
587 HA ALA 79 HA ALA 79 16.197 -5.372 -2.738
588 1HB ALA 79 1HB ALA 79 14.304 -4.896 -5.039
589 2HB ALA 79 2HB ALA 79 15.665 -3.869 -4.585
590 3HB ALA 79 3HB ALA 79 14.292 -4.048 -3.492
591 H ARG 80 H ARG 80 14.819 -6.012 -1.150
592 HA ARG 80 HA ARG 80 13.515 -8.571 -1.455
593 1HB ARG 80 2HB ARG 80 13.576 -6.707 0.931
594 2HB ARG 80 1HB ARG 80 13.108 -8.403 0.947
595 1HG ARG 80 2HG ARG 80 15.372 -9.069 0.376
596 2HG ARG 80 1HG ARG 80 15.857 -7.378 0.237
597 1HD ARG 80 2HD ARG 80 15.300 -7.058 2.633
598 2HD ARG 80 1HD ARG 80 14.920 -8.777 2.748
599 HE ARG 80 HE ARG 80 17.400 -8.935 1.877
600 1HH1 ARG 80 1HH1 ARG 80 16.128 -6.734 4.194
601 2HH1 ARG 80 2HH1 ARG 80 17.590 -6.669 5.108
602 1HH2 ARG 80 1HH2 ARG 80 19.291 -8.819 3.026
603 2HH2 ARG 80 2HH2 ARG 80 19.375 -7.838 4.449
604 H PHE 81 H PHE 81 11.522 -8.704 -2.338
605 HA PHE 81 HA PHE 81 9.704 -6.418 -2.131
606 1HB PHE 81 2HB PHE 81 9.555 -8.909 -3.849
607 2HB PHE 81 1HB PHE 81 8.389 -7.590 -3.886
608 HD1 PHE 81 HD2 PHE 81 9.343 -5.228 -4.389
609 HD2 PHE 81 HD1 PHE 81 11.385 -8.860 -5.289
610 HE1 PHE 81 HE2 PHE 81 10.721 -4.042 -6.044
611 HE2 PHE 81 HE1 PHE 81 12.759 -7.676 -6.949
612 HZ PHE 81 HZ PHE 81 12.429 -5.266 -7.330
613 HA PRO 82 HA PRO 82 7.407 -8.669 1.077
614 1HB PRO 82 2HB PRO 82 5.597 -6.337 0.891
615 2HB PRO 82 1HB PRO 82 6.489 -6.956 2.286
616 1HG PRO 82 2HG PRO 82 7.189 -4.664 1.065
617 2HG PRO 82 1HG PRO 82 8.398 -5.758 1.760
618 1HD PRO 82 2HD PRO 82 7.583 -5.414 -1.108
619 2HD PRO 82 1HD PRO 82 9.208 -5.616 -0.416
620 H HIS 83 H HIS 83 6.480 -10.364 -0.039
621 HA HIS 83 HA HIS 83 4.304 -9.867 -1.926
622 1HB HIS 83 2HB HIS 83 5.643 -12.447 -1.061
623 2HB HIS 83 1HB HIS 83 4.398 -12.328 -2.298
624 HD1 HIS 83 HD1 HIS 83 7.101 -13.486 -3.068
625 HD2 HIS 83 HD2 HIS 83 6.176 -9.448 -3.396
626 HE1 HIS 83 HE1 HIS 83 8.666 -12.581 -4.799
627 HE2 HIS 83 HE2 HIS 83 7.909 -10.213 -5.157
628 H LEU 84 H LEU 84 2.281 -9.645 -1.181
629 HA LEU 84 HA LEU 84 1.493 -11.013 1.316
630 1HB LEU 84 2HB LEU 84 1.267 -8.551 1.256
631 2HB LEU 84 1HB LEU 84 0.194 -8.689 -0.123
632 HG LEU 84 HG LEU 84 -1.437 -9.913 1.304
633 1HD1 LEU 84 1HD1 LEU 84 -1.155 -9.898 3.737
634 2HD1 LEU 84 2HD1 LEU 84 0.463 -9.219 3.548
635 3HD1 LEU 84 3HD1 LEU 84 0.108 -10.839 2.945
636 1HD2 LEU 84 1HD2 LEU 84 -2.187 -7.958 2.577
637 2HD2 LEU 84 2HD2 LEU 84 -1.659 -7.504 0.956
638 3HD2 LEU 84 3HD2 LEU 84 -0.613 -7.195 2.342
639 H TYR 85 H TYR 85 -0.047 -12.588 1.278
640 HA TYR 85 HA TYR 85 -1.240 -13.224 -1.356
641 1HB TYR 85 2HB TYR 85 -0.516 -15.048 0.955
642 2HB TYR 85 1HB TYR 85 -1.336 -15.578 -0.509
643 HD1 TYR 85 HD1 TYR 85 1.841 -14.161 0.789
644 HD2 TYR 85 HD2 TYR 85 -0.104 -16.054 -2.495
645 HE1 TYR 85 HE1 TYR 85 4.018 -14.515 -0.296
646 HE2 TYR 85 HE2 TYR 85 2.073 -16.410 -3.582
647 HH TYR 85 HH TYR 85 4.309 -15.553 -3.563
648 H ARG 86 H ARG 86 -2.526 -11.366 0.433
649 HA ARG 86 HA ARG 86 -5.152 -12.477 0.416
650 1HB ARG 86 2HB ARG 86 -5.629 -12.348 2.827
651 2HB ARG 86 1HB ARG 86 -4.387 -13.543 2.481
652 1HG ARG 86 2HG ARG 86 -2.668 -11.853 3.137
653 2HG ARG 86 1HG ARG 86 -3.982 -10.784 3.632
654 1HD ARG 86 2HD ARG 86 -3.136 -11.949 5.569
655 2HD ARG 86 1HD ARG 86 -4.761 -12.532 5.211
656 HE ARG 86 HE ARG 86 -2.714 -14.125 4.003
657 1HH1 ARG 86 1HH1 ARG 86 -4.486 -13.631 6.921
658 2HH1 ARG 86 2HH1 ARG 86 -4.213 -15.247 7.472
659 1HH2 ARG 86 1HH2 ARG 86 -2.371 -16.166 4.737
660 2HH2 ARG 86 2HH2 ARG 86 -3.032 -16.653 6.262
661 HA PRO 87 HA PRO 87 -5.941 -8.136 -0.187
662 1HB PRO 87 2HB PRO 87 -8.699 -8.672 0.766
663 2HB PRO 87 1HB PRO 87 -8.147 -8.048 -0.792
664 1HG PRO 87 2HG PRO 87 -9.088 -10.538 -0.562
665 2HG PRO 87 1HG PRO 87 -7.737 -10.161 -1.646
666 1HD PRO 87 2HD PRO 87 -7.682 -11.428 1.077
667 2HD PRO 87 1HD PRO 87 -6.756 -11.846 -0.382
668 H LEU 88 H LEU 88 -6.199 -6.196 0.975
669 HA LEU 88 HA LEU 88 -6.216 -6.571 3.913
670 1HB LEU 88 2HB LEU 88 -4.155 -5.663 2.639
671 2HB LEU 88 1HB LEU 88 -5.066 -4.175 2.497
672 HG LEU 88 HG LEU 88 -4.466 -5.446 5.176
673 1HD1 LEU 88 1HD1 LEU 88 -2.339 -5.022 4.073
674 2HD1 LEU 88 2HD1 LEU 88 -2.600 -3.876 5.387
675 3HD1 LEU 88 3HD1 LEU 88 -2.836 -3.368 3.714
676 1HD2 LEU 88 1HD2 LEU 88 -4.832 -3.167 6.017
677 2HD2 LEU 88 2HD2 LEU 88 -6.257 -3.797 5.197
678 3HD2 LEU 88 3HD2 LEU 88 -5.218 -2.628 4.382
679 H LEU 89 H LEU 89 -7.977 -5.904 4.937
680 HA LEU 89 HA LEU 89 -9.986 -4.266 3.747
681 1HB LEU 89 2HB LEU 89 -9.640 -5.056 6.644
682 2HB LEU 89 1HB LEU 89 -11.109 -4.440 5.908
683 HG LEU 89 HG LEU 89 -9.788 -7.088 5.274
684 1HD1 LEU 89 1HD1 LEU 89 -11.783 -8.070 6.306
685 2HD1 LEU 89 2HD1 LEU 89 -12.345 -6.456 6.747
686 3HD1 LEU 89 3HD1 LEU 89 -10.859 -7.097 7.450
687 1HD2 LEU 89 1HD2 LEU 89 -11.781 -7.536 3.910
688 2HD2 LEU 89 2HD2 LEU 89 -10.856 -6.169 3.292
689 3HD2 LEU 89 3HD2 LEU 89 -12.344 -5.888 4.197
690 H VAL 90 H VAL 90 -10.450 -2.085 4.046
691 HA VAL 90 HA VAL 90 -8.270 -0.390 4.398
692 HB VAL 90 HB VAL 90 -9.858 1.436 4.213
693 1HG1 VAL 90 1HG1 VAL 90 -9.197 0.287 2.193
694 2HG1 VAL 90 2HG1 VAL 90 -10.879 0.804 2.064
695 3HG1 VAL 90 3HG1 VAL 90 -10.498 -0.884 2.408
696 1HG2 VAL 90 1HG2 VAL 90 -11.995 -0.665 4.566
697 2HG2 VAL 90 2HG2 VAL 90 -12.289 0.999 4.064
698 3HG2 VAL 90 3HG2 VAL 90 -11.637 0.666 5.668
699 H SER 91 H SER 91 -10.771 -1.345 6.700
700 HA SER 91 HA SER 91 -10.113 0.637 8.666
701 1HB SER 91 2HB SER 91 -12.328 -0.492 8.547
702 2HB SER 91 1HB SER 91 -11.565 -1.997 9.054
703 HG SER 91 HG SER 91 -10.841 -0.225 10.836
704 H GLU 92 H GLU 92 -8.351 -1.984 7.628
705 HA GLU 92 HA GLU 92 -7.253 -2.616 10.281
706 1HB GLU 92 2HB GLU 92 -7.897 -4.426 8.623
707 2HB GLU 92 1HB GLU 92 -6.530 -3.912 7.646
708 1HG GLU 92 2HG GLU 92 -5.910 -5.835 8.955
709 2HG GLU 92 1HG GLU 92 -5.019 -4.425 9.528
710 H VAL 93 H VAL 93 -6.590 -0.562 7.671
711 HA VAL 93 HA VAL 93 -3.747 -0.635 7.625
712 HB VAL 93 HB VAL 93 -5.587 1.664 6.902
713 1HG1 VAL 93 1HG1 VAL 93 -2.710 1.156 6.118
714 2HG1 VAL 93 2HG1 VAL 93 -3.271 2.392 7.245
715 3HG1 VAL 93 3HG1 VAL 93 -3.721 2.482 5.543
716 1HG2 VAL 93 1HG2 VAL 93 -6.130 -0.329 5.618
717 2HG2 VAL 93 2HG2 VAL 93 -4.433 -0.546 5.188
718 3HG2 VAL 93 3HG2 VAL 93 -5.323 0.849 4.580
719 H THR 94 H THR 94 -2.290 0.136 9.056
720 HA THR 94 HA THR 94 -3.029 1.125 11.574
721 HB THR 94 HB THR 94 -0.305 1.374 10.266
722 HG1 THR 94 HG1 THR 94 -1.526 -0.728 11.764
723 1HG2 THR 94 1HG2 THR 94 -0.517 2.759 12.285
724 2HG2 THR 94 2HG2 THR 94 0.552 1.386 12.572
725 3HG2 THR 94 3HG2 THR 94 -1.098 1.356 13.189
726 H ARG 95 H ARG 95 -1.855 2.858 8.694
727 HA ARG 95 HA ARG 95 -3.334 5.188 9.504
728 1HB ARG 95 2HB ARG 95 -1.361 5.689 10.770
729 2HB ARG 95 1HB ARG 95 -0.320 5.326 9.401
730 1HG ARG 95 2HG ARG 95 -1.109 7.270 8.214
731 2HG ARG 95 1HG ARG 95 -2.310 7.596 9.462
732 1HD ARG 95 2HD ARG 95 -0.567 8.094 11.067
733 2HD ARG 95 1HD ARG 95 0.678 7.618 9.913
734 HE ARG 95 HE ARG 95 0.435 9.636 8.835
735 1HH1 ARG 95 1HH1 ARG 95 -2.093 9.289 11.174
736 2HH1 ARG 95 2HH1 ARG 95 -2.614 10.928 10.990
737 1HH2 ARG 95 1HH2 ARG 95 -0.266 11.724 8.616
738 2HH2 ARG 95 2HH2 ARG 95 -1.605 12.280 9.564
739 H GLU 96 H GLU 96 -3.861 6.508 7.853
740 HA GLU 96 HA GLU 96 -2.849 5.838 5.164
741 1HB GLU 96 2HB GLU 96 -4.933 6.973 4.344
742 2HB GLU 96 1HB GLU 96 -5.230 5.528 5.302
743 1HG GLU 96 2HG GLU 96 -5.793 6.892 7.235
744 2HG GLU 96 1HG GLU 96 -5.411 8.359 6.336
745 H ALA 97 H ALA 97 -0.947 7.141 5.333
746 HA ALA 97 HA ALA 97 -1.108 9.885 6.161
747 1HB ALA 97 1HB ALA 97 0.899 8.571 6.580
748 2HB ALA 97 2HB ALA 97 1.273 9.999 5.616
749 3HB ALA 97 3HB ALA 97 1.175 8.415 4.848
750 H ASP 98 H ASP 98 -2.683 10.723 4.717
751 HA ASP 98 HA ASP 98 -2.301 10.922 1.904
752 1HB ASP 98 2HB ASP 98 -4.489 11.198 3.050
753 2HB ASP 98 1HB ASP 98 -3.914 12.699 3.763
754 H LEU 99 H LEU 99 -0.453 11.844 1.142
755 HA LEU 99 HA LEU 99 0.476 14.352 2.398
756 1HB LEU 99 2HB LEU 99 2.771 13.656 1.645
757 2HB LEU 99 1HB LEU 99 2.057 12.680 2.912
758 HG LEU 99 HG LEU 99 1.394 11.032 1.048
759 1HD1 LEU 99 1HD1 LEU 99 3.489 12.591 -0.465
760 2HD1 LEU 99 2HD1 LEU 99 1.775 12.492 -0.872
761 3HD1 LEU 99 3HD1 LEU 99 2.784 11.049 -0.958
762 1HD2 LEU 99 1HD2 LEU 99 4.302 11.456 1.728
763 2HD2 LEU 99 2HD2 LEU 99 3.605 9.966 1.092
764 3HD2 LEU 99 3HD2 LEU 99 3.124 10.556 2.682
765 H ASP 100 H ASP 100 1.888 15.704 0.951
766 HA ASP 100 HA ASP 100 0.936 15.667 -1.848
767 1HB ASP 100 2HB ASP 100 1.607 18.143 -0.234
768 2HB ASP 100 1HB ASP 100 0.904 18.083 -1.848
769 H LEU 101 H LEU 101 2.490 17.217 -3.204
770 HA LEU 101 HA LEU 101 5.274 17.149 -2.405
771 1HB LEU 101 2HB LEU 101 6.074 15.706 -4.153
772 2HB LEU 101 1HB LEU 101 4.881 14.829 -3.212
773 HG LEU 101 HG LEU 101 3.863 16.227 -5.636
774 1HD1 LEU 101 1HD1 LEU 101 5.956 15.340 -6.489
775 2HD1 LEU 101 2HD1 LEU 101 4.584 14.434 -7.132
776 3HD1 LEU 101 3HD1 LEU 101 5.564 13.751 -5.839
777 1HD2 LEU 101 1HD2 LEU 101 2.513 14.193 -5.832
778 2HD2 LEU 101 2HD2 LEU 101 2.370 14.913 -4.227
779 3HD2 LEU 101 3HD2 LEU 101 3.378 13.484 -4.466
780 H ASP 102 H ASP 102 6.704 17.810 -4.389
781 HA ASP 102 HA ASP 102 5.206 19.654 -6.141
782 1HB ASP 102 2HB ASP 102 7.338 20.870 -6.455
783 2HB ASP 102 1HB ASP 102 6.781 20.879 -4.790
784 H ALA 103 H ALA 103 6.370 20.116 -8.223
785 HA ALA 103 HA ALA 103 6.237 17.820 -9.821
786 1HB ALA 103 1HB ALA 103 5.828 20.084 -10.672
787 2HB ALA 103 2HB ALA 103 7.030 19.237 -11.645
788 3HB ALA 103 3HB ALA 103 7.540 20.465 -10.486
789 H ASP 104 H ASP 104 7.619 16.241 -9.009
790 HA ASP 104 HA ASP 104 9.388 14.896 -9.635
791 1HB ASP 104 2HB ASP 104 10.056 16.526 -11.427
792 2HB ASP 104 1HB ASP 104 11.007 17.384 -10.223
793 H GLY 105 H GLY 105 9.172 17.381 -7.377
794 1HA GLY 105 2HA GLY 105 11.171 16.659 -5.555
795 2HA GLY 105 1HA GLY 105 9.565 17.229 -5.118
796 H VAL 106 H VAL 106 7.992 15.240 -6.214
797 HA VAL 106 HA VAL 106 7.261 13.097 -6.123
798 HB VAL 106 HB VAL 106 10.187 12.864 -6.165
799 1HG1 VAL 106 1HG1 VAL 106 8.546 10.451 -5.357
800 2HG1 VAL 106 2HG1 VAL 106 9.737 11.271 -4.346
801 3HG1 VAL 106 3HG1 VAL 106 10.250 10.434 -5.811
802 1HG2 VAL 106 1HG2 VAL 106 8.898 12.905 -8.195
803 2HG2 VAL 106 2HG2 VAL 106 7.972 11.495 -7.678
804 3HG2 VAL 106 3HG2 VAL 106 9.694 11.339 -8.032
805 HA PRO 107 HA PRO 107 5.626 12.498 -2.116
806 1HB PRO 107 2HB PRO 107 6.404 9.617 -2.514
807 2HB PRO 107 1HB PRO 107 4.903 10.293 -1.863
808 1HG PRO 107 2HG PRO 107 5.048 9.460 -4.402
809 2HG PRO 107 1HG PRO 107 4.107 10.893 -3.956
810 1HD PRO 107 2HD PRO 107 6.660 10.711 -5.436
811 2HD PRO 107 1HD PRO 107 5.452 12.005 -5.428
812 H GLN 108 H GLN 108 6.997 13.506 -0.701
813 HA GLN 108 HA GLN 108 9.651 12.620 -0.174
814 1HB GLN 108 2HB GLN 108 7.928 14.630 1.302
815 2HB GLN 108 1HB GLN 108 9.635 14.365 1.618
816 1HG GLN 108 2HG GLN 108 9.440 16.310 0.259
817 2HG GLN 108 1HG GLN 108 10.111 15.028 -0.742
818 1HE2 GLN 108 1HE2 GLN 108 9.463 16.034 -2.630
819 2HE2 GLN 108 2HE2 GLN 108 7.814 16.073 -3.131
820 H LEU 109 H LEU 109 9.257 10.397 0.429
821 HA LEU 109 HA LEU 109 7.885 9.821 2.898
822 1HB LEU 109 2HB LEU 109 9.276 8.223 0.815
823 2HB LEU 109 1HB LEU 109 9.188 7.518 2.417
824 HG LEU 109 HG LEU 109 6.767 7.605 2.383
825 1HD1 LEU 109 1HD1 LEU 109 7.044 8.881 -0.338
826 2HD1 LEU 109 2HD1 LEU 109 6.427 9.647 1.127
827 3HD1 LEU 109 3HD1 LEU 109 5.535 8.319 0.385
828 1HD2 LEU 109 1HD2 LEU 109 7.784 5.628 1.454
829 2HD2 LEU 109 2HD2 LEU 109 7.937 6.400 -0.124
830 3HD2 LEU 109 3HD2 LEU 109 6.340 6.030 0.526
831 H GLY 110 H GLY 110 11.148 10.596 2.026
832 1HA GLY 110 2HA GLY 110 12.689 9.404 3.961
833 2HA GLY 110 1HA GLY 110 12.978 11.026 3.362
834 H ASP 111 H ASP 111 10.712 12.334 4.408
835 HA ASP 111 HA ASP 111 11.487 12.672 7.160
836 1HB ASP 111 2HB ASP 111 9.257 13.931 5.549
837 2HB ASP 111 1HB ASP 111 9.727 14.428 7.173
838 H HIS 112 H HIS 112 9.249 10.645 5.607
839 HA HIS 112 HA HIS 112 7.499 10.398 7.951
840 1HB HIS 112 2HB HIS 112 7.310 8.966 5.284
841 2HB HIS 112 1HB HIS 112 6.087 8.987 6.548
842 HD1 HIS 112 HD1 HIS 112 5.804 11.945 7.132
843 HD2 HIS 112 HD2 HIS 112 6.229 10.428 3.287
844 HE1 HIS 112 HE1 HIS 112 4.831 13.687 5.613
845 HE2 HIS 112 HE2 HIS 112 5.281 12.836 3.288
846 H LEU 113 H LEU 113 10.331 8.994 6.724
847 HA LEU 113 HA LEU 113 9.772 6.381 7.982
848 1HB LEU 113 2HB LEU 113 11.953 6.999 5.996
849 2HB LEU 113 1HB LEU 113 11.450 5.421 6.558
850 HG LEU 113 HG LEU 113 9.790 7.270 4.832
851 1HD1 LEU 113 1HD1 LEU 113 11.272 4.735 4.134
852 2HD1 LEU 113 2HD1 LEU 113 11.677 6.369 3.604
853 3HD1 LEU 113 3HD1 LEU 113 10.179 5.614 3.064
854 1HD2 LEU 113 1HD2 LEU 113 9.251 4.447 5.762
855 2HD2 LEU 113 2HD2 LEU 113 8.280 5.347 4.597
856 3HD2 LEU 113 3HD2 LEU 113 8.386 5.898 6.269
857 H ALA 114 H ALA 114 11.511 5.305 9.064
858 HA ALA 114 HA ALA 114 13.357 4.993 10.336
859 1HB ALA 114 1HB ALA 114 14.432 7.488 9.038
860 2HB ALA 114 2HB ALA 114 14.547 5.860 8.372
861 3HB ALA 114 3HB ALA 114 15.368 6.254 9.883
862 H LEU 115 H LEU 115 13.176 8.584 10.365
863 HA LEU 115 HA LEU 115 13.831 8.518 13.205
864 1HB LEU 115 2HB LEU 115 15.034 10.024 11.670
865 2HB LEU 115 1HB LEU 115 13.532 10.853 11.310
866 HG LEU 115 HG LEU 115 13.391 11.566 13.691
867 1HD1 LEU 115 1HD1 LEU 115 15.387 11.364 15.108
868 2HD1 LEU 115 2HD1 LEU 115 16.141 10.337 13.886
869 3HD1 LEU 115 3HD1 LEU 115 14.686 9.791 14.721
870 1HD2 LEU 115 1HD2 LEU 115 15.174 13.249 13.554
871 2HD2 LEU 115 2HD2 LEU 115 14.321 13.064 12.022
872 3HD2 LEU 115 3HD2 LEU 115 15.918 12.345 12.234
873 H GLU 116 H GLU 116 12.657 9.592 14.842
874 HA GLU 116 HA GLU 116 9.788 9.637 14.522
875 1HB GLU 116 2HB GLU 116 11.478 10.489 16.888
876 2HB GLU 116 1HB GLU 116 9.737 10.261 16.901
877 1HG GLU 116 2HG GLU 116 10.671 8.356 17.924
878 2HG GLU 116 1HG GLU 116 10.151 7.850 16.318
Start of MODEL 20
1 1H MET 1 1H MET 1 8.751 -2.667 12.671
2 2H MET 1 2H MET 1 10.082 -3.018 13.652
3 3H MET 1 3H MET 1 8.988 -4.238 13.242
4 HA MET 1 HA MET 1 10.841 -2.819 11.414
5 1HB MET 1 2HB MET 1 10.695 -5.768 12.094
6 2HB MET 1 1HB MET 1 11.935 -4.957 11.148
7 1HG MET 1 2HG MET 1 11.425 -4.688 14.102
8 2HG MET 1 1HG MET 1 12.814 -5.434 13.315
9 1HE MET 1 1HE MET 1 13.004 -3.219 15.638
10 2HE MET 1 2HE MET 1 14.319 -2.223 15.014
11 3HE MET 1 3HE MET 1 14.412 -3.979 14.890
12 H THR 2 H THR 2 8.023 -4.870 11.756
13 HA THR 2 HA THR 2 7.861 -5.637 8.983
14 HB THR 2 HB THR 2 5.640 -6.574 9.654
15 HG1 THR 2 HG1 THR 2 5.643 -6.489 12.221
16 1HG2 THR 2 1HG2 THR 2 7.941 -7.279 11.493
17 2HG2 THR 2 2HG2 THR 2 7.679 -7.928 9.874
18 3HG2 THR 2 3HG2 THR 2 6.535 -8.293 11.165
19 H LEU 3 H LEU 3 7.808 -2.695 9.489
20 HA LEU 3 HA LEU 3 5.080 -1.855 8.979
21 1HB LEU 3 2HB LEU 3 7.663 -0.284 9.017
22 2HB LEU 3 1HB LEU 3 6.067 0.421 8.828
23 HG LEU 3 HG LEU 3 7.050 -1.066 11.270
24 1HD1 LEU 3 1HD1 LEU 3 6.944 1.130 12.370
25 2HD1 LEU 3 2HD1 LEU 3 6.562 1.877 10.818
26 3HD1 LEU 3 3HD1 LEU 3 8.125 1.097 11.061
27 1HD2 LEU 3 1HD2 LEU 3 4.958 -0.329 12.309
28 2HD2 LEU 3 2HD2 LEU 3 4.655 -1.375 10.922
29 3HD2 LEU 3 3HD2 LEU 3 4.440 0.370 10.774
30 H ILE 4 H ILE 4 4.287 -2.315 7.008
31 HA ILE 4 HA ILE 4 5.967 -2.132 4.618
32 HB ILE 4 HB ILE 4 3.042 -2.840 4.709
33 1HG1 ILE 4 2HG1 ILE 4 5.404 -4.717 5.058
34 2HG1 ILE 4 1HG1 ILE 4 4.210 -4.320 6.291
35 1HG2 ILE 4 1HG2 ILE 4 3.934 -2.373 2.506
36 2HG2 ILE 4 2HG2 ILE 4 3.596 -4.097 2.658
37 3HG2 ILE 4 3HG2 ILE 4 5.256 -3.511 2.769
38 1HD1 ILE 4 1HD1 ILE 4 2.467 -5.351 4.884
39 2HD1 ILE 4 2HD1 ILE 4 3.734 -6.478 5.360
40 3HD1 ILE 4 3HD1 ILE 4 3.714 -5.818 3.725
41 H TYR 5 H TYR 5 5.585 -0.688 2.901
42 HA TYR 5 HA TYR 5 3.605 1.450 3.395
43 1HB TYR 5 2HB TYR 5 6.394 1.958 2.342
44 2HB TYR 5 1HB TYR 5 5.187 3.155 2.793
45 HD1 TYR 5 HD1 TYR 5 4.303 2.086 5.444
46 HD2 TYR 5 HD2 TYR 5 8.194 2.412 3.740
47 HE1 TYR 5 HE1 TYR 5 5.280 2.242 7.701
48 HE2 TYR 5 HE2 TYR 5 9.173 2.551 5.987
49 HH TYR 5 HH TYR 5 7.416 1.872 8.815
50 H LYS 6 H LYS 6 2.235 1.583 1.714
51 HA LYS 6 HA LYS 6 3.302 1.167 -1.010
52 1HB LYS 6 2HB LYS 6 2.002 -0.781 -0.475
53 2HB LYS 6 1HB LYS 6 0.665 0.203 0.102
54 1HG LYS 6 2HG LYS 6 0.074 0.878 -2.080
55 2HG LYS 6 1HG LYS 6 1.608 0.330 -2.755
56 1HD LYS 6 2HD LYS 6 -0.288 -1.163 -3.304
57 2HD LYS 6 1HD LYS 6 0.996 -1.972 -2.406
58 1HE LYS 6 2HE LYS 6 -0.330 -1.647 -0.327
59 2HE LYS 6 1HE LYS 6 -1.637 -0.981 -1.310
60 1HZ LYS 6 1HZ LYS 6 -0.494 -3.704 -1.607
61 2HZ LYS 6 2HZ LYS 6 -1.795 -3.068 -2.480
62 3HZ LYS 6 3HZ LYS 6 -1.947 -3.341 -0.818
63 H ILE 7 H ILE 7 3.048 2.878 -2.318
64 HA ILE 7 HA ILE 7 1.329 5.088 -1.469
65 HB ILE 7 HB ILE 7 3.349 4.988 -3.731
66 1HG1 ILE 7 2HG1 ILE 7 4.559 6.635 -2.115
67 2HG1 ILE 7 1HG1 ILE 7 3.519 5.941 -0.874
68 1HG2 ILE 7 1HG2 ILE 7 1.631 6.631 -4.198
69 2HG2 ILE 7 2HG2 ILE 7 3.128 7.450 -3.752
70 3HG2 ILE 7 3HG2 ILE 7 1.812 7.322 -2.585
71 1HD1 ILE 7 1HD1 ILE 7 4.439 3.732 -1.350
72 2HD1 ILE 7 2HD1 ILE 7 5.698 4.884 -0.905
73 3HD1 ILE 7 3HD1 ILE 7 5.473 4.433 -2.596
74 H LEU 8 H LEU 8 -0.438 5.796 -2.536
75 HA LEU 8 HA LEU 8 -0.984 4.986 -5.275
76 1HB LEU 8 2HB LEU 8 -3.141 4.054 -4.882
77 2HB LEU 8 1HB LEU 8 -2.020 3.212 -3.832
78 HG LEU 8 HG LEU 8 -3.956 5.380 -2.972
79 1HD1 LEU 8 1HD1 LEU 8 -5.115 3.337 -3.525
80 2HD1 LEU 8 2HD1 LEU 8 -5.086 3.543 -1.774
81 3HD1 LEU 8 3HD1 LEU 8 -3.993 2.392 -2.545
82 1HD2 LEU 8 1HD2 LEU 8 -3.304 4.779 -0.682
83 2HD2 LEU 8 2HD2 LEU 8 -1.947 5.424 -1.600
84 3HD2 LEU 8 3HD2 LEU 8 -2.073 3.688 -1.320
85 H SER 9 H SER 9 -3.189 6.105 -5.974
86 HA SER 9 HA SER 9 -2.953 8.895 -5.215
87 1HB SER 9 2HB SER 9 -4.531 9.360 -6.987
88 2HB SER 9 1HB SER 9 -3.359 8.188 -7.587
89 HG SER 9 HG SER 9 -5.138 7.177 -8.138
90 H ARG 10 H ARG 10 -4.642 10.194 -4.360
91 HA ARG 10 HA ARG 10 -6.096 9.115 -2.237
92 1HB ARG 10 2HB ARG 10 -5.488 11.628 -3.016
93 2HB ARG 10 1HB ARG 10 -7.169 11.585 -3.520
94 1HG ARG 10 2HG ARG 10 -6.204 10.976 -0.725
95 2HG ARG 10 1HG ARG 10 -6.808 12.543 -1.260
96 1HD ARG 10 2HD ARG 10 -8.974 11.541 -1.775
97 2HD ARG 10 1HD ARG 10 -8.376 9.959 -1.274
98 HE ARG 10 HE ARG 10 -7.970 11.334 0.946
99 1HH1 ARG 10 1HH1 ARG 10 -10.710 11.360 -1.147
100 2HH1 ARG 10 2HH1 ARG 10 -11.822 11.737 0.119
101 1HH2 ARG 10 1HH2 ARG 10 -9.409 11.823 2.567
102 2HH2 ARG 10 2HH2 ARG 10 -11.089 11.984 2.196
103 H ALA 11 H ALA 11 -6.963 9.500 -5.613
104 HA ALA 11 HA ALA 11 -9.730 8.987 -5.450
105 1HB ALA 11 1HB ALA 11 -9.586 8.426 -7.818
106 2HB ALA 11 2HB ALA 11 -7.830 8.300 -7.699
107 3HB ALA 11 3HB ALA 11 -8.619 9.859 -7.463
108 H GLU 12 H GLU 12 -7.043 6.724 -6.181
109 HA GLU 12 HA GLU 12 -8.541 4.358 -6.213
110 1HB GLU 12 2HB GLU 12 -5.651 4.754 -5.388
111 2HB GLU 12 1HB GLU 12 -6.380 3.205 -5.787
112 1HG GLU 12 2HG GLU 12 -6.115 5.535 -7.685
113 2HG GLU 12 1HG GLU 12 -5.024 4.152 -7.618
114 H TRP 13 H TRP 13 -6.888 5.975 -3.523
115 HA TRP 13 HA TRP 13 -7.384 4.023 -1.557
116 1HB TRP 13 2HB TRP 13 -5.710 5.741 -1.208
117 2HB TRP 13 1HB TRP 13 -6.930 7.007 -1.295
118 HD1 TRP 13 HD1 TRP 13 -7.162 7.991 1.046
119 HE1 TRP 13 HE1 TRP 13 -7.374 7.069 3.434
120 HE3 TRP 13 HE3 TRP 13 -6.632 2.999 0.041
121 HZ2 TRP 13 HZ2 TRP 13 -7.327 4.558 4.725
122 HZ3 TRP 13 HZ3 TRP 13 -6.734 1.406 1.915
123 HH2 TRP 13 HH2 TRP 13 -7.074 2.171 4.205
124 H ASP 14 H ASP 14 -9.184 7.035 -2.268
125 HA ASP 14 HA ASP 14 -11.174 6.703 -0.322
126 1HB ASP 14 2HB ASP 14 -10.669 8.759 -1.788
127 2HB ASP 14 1HB ASP 14 -11.686 7.994 -2.998
128 H ALA 15 H ALA 15 -11.140 5.779 -3.728
129 HA ALA 15 HA ALA 15 -13.649 4.616 -3.936
130 1HB ALA 15 1HB ALA 15 -12.119 5.102 -5.799
131 2HB ALA 15 2HB ALA 15 -12.760 3.457 -5.866
132 3HB ALA 15 3HB ALA 15 -11.109 3.743 -5.307
133 H ALA 16 H ALA 16 -10.567 3.068 -2.981
134 HA ALA 16 HA ALA 16 -11.592 0.478 -2.556
135 1HB ALA 16 1HB ALA 16 -9.243 1.810 -1.194
136 2HB ALA 16 2HB ALA 16 -9.198 0.953 -2.735
137 3HB ALA 16 3HB ALA 16 -9.563 0.076 -1.249
138 H LYS 17 H LYS 17 -11.491 3.304 -0.410
139 HA LYS 17 HA LYS 17 -12.348 1.965 1.940
140 1HB LYS 17 2HB LYS 17 -12.736 4.859 1.134
141 2HB LYS 17 1HB LYS 17 -13.038 4.216 2.743
142 1HG LYS 17 2HG LYS 17 -10.615 3.506 2.785
143 2HG LYS 17 1HG LYS 17 -10.401 4.448 1.312
144 1HD LYS 17 2HD LYS 17 -11.444 5.568 3.917
145 2HD LYS 17 1HD LYS 17 -9.760 5.644 3.410
146 1HE LYS 17 2HE LYS 17 -10.688 7.741 2.862
147 2HE LYS 17 1HE LYS 17 -10.571 6.865 1.342
148 1HZ LYS 17 1HZ LYS 17 -12.674 8.027 1.540
149 2HZ LYS 17 2HZ LYS 17 -13.033 7.198 2.971
150 3HZ LYS 17 3HZ LYS 17 -12.939 6.357 1.509
151 H ALA 18 H ALA 18 -14.082 3.180 -0.858
152 HA ALA 18 HA ALA 18 -16.713 2.967 0.167
153 1HB ALA 18 1HB ALA 18 -17.439 2.925 -2.150
154 2HB ALA 18 2HB ALA 18 -15.798 2.555 -2.683
155 3HB ALA 18 3HB ALA 18 -16.156 4.118 -1.944
156 H GLN 19 H GLN 19 -14.548 0.598 -1.332
157 HA GLN 19 HA GLN 19 -16.433 -1.585 -1.117
158 1HB GLN 19 2HB GLN 19 -13.459 -1.500 -1.687
159 2HB GLN 19 1HB GLN 19 -14.379 -2.995 -1.619
160 1HG GLN 19 2HG GLN 19 -14.124 -2.398 -3.901
161 2HG GLN 19 1HG GLN 19 -15.801 -2.126 -3.461
162 1HE2 GLN 19 1HE2 GLN 19 -12.789 -0.621 -4.305
163 2HE2 GLN 19 2HE2 GLN 19 -13.438 0.950 -4.609
164 H GLY 20 H GLY 20 -14.056 -0.092 0.910
165 1HA GLY 20 2HA GLY 20 -13.597 -0.449 3.160
166 2HA GLY 20 1HA GLY 20 -14.658 -1.851 3.131
167 H ARG 21 H ARG 21 -12.850 -2.486 0.582
168 HA ARG 21 HA ARG 21 -10.564 -3.635 2.052
169 1HB ARG 21 2HB ARG 21 -11.973 -5.260 -0.060
170 2HB ARG 21 1HB ARG 21 -10.914 -5.804 1.231
171 1HG ARG 21 2HG ARG 21 -12.666 -5.369 2.871
172 2HG ARG 21 1HG ARG 21 -13.726 -4.773 1.594
173 1HD ARG 21 2HD ARG 21 -13.489 -7.043 0.505
174 2HD ARG 21 1HD ARG 21 -12.698 -7.582 1.986
175 HE ARG 21 HE ARG 21 -15.492 -6.674 1.777
176 1HH1 ARG 21 1HH1 ARG 21 -13.033 -8.461 3.407
177 2HH1 ARG 21 2HH1 ARG 21 -14.138 -9.127 4.560
178 1HH2 ARG 21 1HH2 ARG 21 -16.891 -7.548 3.233
179 2HH2 ARG 21 2HH2 ARG 21 -16.307 -8.630 4.449
180 H PHE 22 H PHE 22 -8.725 -2.975 1.041
181 HA PHE 22 HA PHE 22 -8.703 -2.200 -1.739
182 1HB PHE 22 2HB PHE 22 -7.242 -1.105 -0.035
183 2HB PHE 22 1HB PHE 22 -6.358 -2.615 0.146
184 HD1 PHE 22 HD1 PHE 22 -7.142 0.139 -2.193
185 HD2 PHE 22 HD2 PHE 22 -4.661 -3.242 -1.415
186 HE1 PHE 22 HE1 PHE 22 -5.654 0.804 -4.037
187 HE2 PHE 22 HE2 PHE 22 -3.176 -2.576 -3.258
188 HZ PHE 22 HZ PHE 22 -3.670 -0.554 -4.572
189 H GLU 23 H GLU 23 -9.356 -4.059 -2.848
190 HA GLU 23 HA GLU 23 -8.024 -6.589 -2.386
191 1HB GLU 23 2HB GLU 23 -10.172 -5.845 -4.379
192 2HB GLU 23 1HB GLU 23 -9.607 -7.479 -4.050
193 1HG GLU 23 2HG GLU 23 -10.401 -7.306 -1.751
194 2HG GLU 23 1HG GLU 23 -10.939 -5.654 -2.049
195 H GLY 24 H GLY 24 -5.897 -5.864 -3.022
196 1HA GLY 24 2HA GLY 24 -4.110 -5.946 -4.450
197 2HA GLY 24 1HA GLY 24 -5.117 -6.983 -5.441
198 H SER 25 H SER 25 -4.807 -6.324 -7.448
199 HA SER 25 HA SER 25 -5.848 -4.085 -8.646
200 1HB SER 25 2HB SER 25 -4.267 -2.686 -7.380
201 2HB SER 25 1HB SER 25 -2.911 -3.629 -8.004
202 HG SER 25 HG SER 25 -4.190 -1.538 -9.131
203 H ALA 26 H ALA 26 -4.577 -3.616 -10.882
204 HA ALA 26 HA ALA 26 -4.603 -6.020 -12.316
205 1HB ALA 26 1HB ALA 26 -4.940 -3.797 -13.324
206 2HB ALA 26 2HB ALA 26 -3.745 -4.757 -14.195
207 3HB ALA 26 3HB ALA 26 -3.221 -3.460 -13.121
208 H VAL 27 H VAL 27 -1.755 -4.112 -11.266
209 HA VAL 27 HA VAL 27 0.186 -5.947 -12.205
210 HB VAL 27 HB VAL 27 0.649 -3.572 -11.607
211 1HG1 VAL 27 1HG1 VAL 27 1.122 -2.996 -9.259
212 2HG1 VAL 27 2HG1 VAL 27 0.515 -4.575 -8.761
213 3HG1 VAL 27 3HG1 VAL 27 -0.573 -3.414 -9.521
214 1HG2 VAL 27 1HG2 VAL 27 2.891 -3.976 -10.673
215 2HG2 VAL 27 2HG2 VAL 27 2.489 -5.126 -11.949
216 3HG2 VAL 27 3HG2 VAL 27 2.413 -5.622 -10.258
217 H ASP 28 H ASP 28 -1.766 -5.916 -9.329
218 HA ASP 28 HA ASP 28 -0.299 -7.738 -7.742
219 1HB ASP 28 2HB ASP 28 -1.928 -6.690 -6.508
220 2HB ASP 28 1HB ASP 28 -3.097 -6.716 -7.820
221 H LEU 29 H LEU 29 -3.114 -8.328 -9.897
222 HA LEU 29 HA LEU 29 -2.988 -11.129 -9.843
223 1HB LEU 29 2HB LEU 29 -4.001 -9.227 -11.955
224 2HB LEU 29 1HB LEU 29 -4.095 -10.964 -12.153
225 HG LEU 29 HG LEU 29 -6.228 -10.178 -11.410
226 1HD1 LEU 29 1HD1 LEU 29 -5.506 -12.318 -10.495
227 2HD1 LEU 29 2HD1 LEU 29 -6.556 -11.459 -9.368
228 3HD1 LEU 29 3HD1 LEU 29 -4.813 -11.496 -9.094
229 1HD2 LEU 29 1HD2 LEU 29 -4.833 -8.919 -9.048
230 2HD2 LEU 29 2HD2 LEU 29 -6.574 -8.966 -9.327
231 3HD2 LEU 29 3HD2 LEU 29 -5.533 -8.055 -10.419
232 H ALA 30 H ALA 30 -1.120 -8.805 -11.700
233 HA ALA 30 HA ALA 30 0.071 -10.546 -13.561
234 1HB ALA 30 1HB ALA 30 1.229 -8.050 -12.318
235 2HB ALA 30 2HB ALA 30 0.206 -8.117 -13.753
236 3HB ALA 30 3HB ALA 30 1.815 -8.841 -13.782
237 H ASP 31 H ASP 31 0.964 -9.769 -10.225
238 HA ASP 31 HA ASP 31 3.206 -11.633 -10.237
239 1HB ASP 31 2HB ASP 31 1.945 -9.861 -8.147
240 2HB ASP 31 1HB ASP 31 3.135 -11.077 -7.707
241 H GLY 32 H GLY 32 -0.171 -11.647 -9.406
242 1HA GLY 32 2HA GLY 32 -1.500 -13.484 -8.785
243 2HA GLY 32 1HA GLY 32 -0.040 -14.402 -8.432
244 H PHE 33 H PHE 33 0.554 -11.570 -7.031
245 HA PHE 33 HA PHE 33 -0.956 -11.869 -4.581
246 1HB PHE 33 2HB PHE 33 1.505 -11.839 -3.420
247 2HB PHE 33 1HB PHE 33 0.560 -13.297 -3.684
248 HD1 PHE 33 HD2 PHE 33 3.095 -11.166 -5.428
249 HD2 PHE 33 HD1 PHE 33 1.551 -15.077 -4.769
250 HE1 PHE 33 HE2 PHE 33 4.923 -12.114 -6.772
251 HE2 PHE 33 HE1 PHE 33 3.376 -16.027 -6.113
252 HZ PHE 33 HZ PHE 33 5.066 -14.547 -7.116
253 H ILE 34 H ILE 34 -0.826 -10.050 -3.197
254 HA ILE 34 HA ILE 34 -0.872 -7.688 -4.699
255 HB ILE 34 HB ILE 34 -0.866 -7.925 -1.685
256 1HG1 ILE 34 2HG1 ILE 34 -3.169 -7.931 -3.664
257 2HG1 ILE 34 1HG1 ILE 34 -2.623 -9.307 -2.709
258 1HG2 ILE 34 1HG2 ILE 34 -1.881 -5.702 -3.474
259 2HG2 ILE 34 2HG2 ILE 34 -0.445 -5.633 -2.453
260 3HG2 ILE 34 3HG2 ILE 34 -2.041 -5.767 -1.718
261 1HD1 ILE 34 1HD1 ILE 34 -3.832 -6.763 -1.636
262 2HD1 ILE 34 2HD1 ILE 34 -3.259 -8.118 -0.662
263 3HD1 ILE 34 3HD1 ILE 34 -4.622 -8.336 -1.758
264 H HIS 35 H HIS 35 0.585 -6.208 -5.210
265 HA HIS 35 HA HIS 35 3.246 -6.116 -4.158
266 1HB HIS 35 2HB HIS 35 1.646 -4.195 -5.865
267 2HB HIS 35 1HB HIS 35 3.284 -3.838 -5.339
268 HD1 HIS 35 HD1 HIS 35 5.075 -4.558 -6.867
269 HD2 HIS 35 HD2 HIS 35 1.558 -6.679 -7.516
270 HE1 HIS 35 HE1 HIS 35 5.498 -5.951 -8.908
271 HE2 HIS 35 HE2 HIS 35 3.398 -7.290 -9.231
272 H LEU 36 H LEU 36 4.078 -4.877 -2.519
273 HA LEU 36 HA LEU 36 2.581 -2.576 -1.539
274 1HB LEU 36 2HB LEU 36 3.532 -4.811 0.253
275 2HB LEU 36 1HB LEU 36 3.088 -3.221 0.837
276 HG LEU 36 HG LEU 36 0.846 -3.962 -0.593
277 1HD1 LEU 36 1HD1 LEU 36 0.263 -6.219 0.217
278 2HD1 LEU 36 2HD1 LEU 36 1.923 -6.423 0.779
279 3HD1 LEU 36 3HD1 LEU 36 1.592 -6.219 -0.942
280 1HD2 LEU 36 1HD2 LEU 36 1.375 -4.370 2.352
281 2HD2 LEU 36 2HD2 LEU 36 -0.209 -4.235 1.586
282 3HD2 LEU 36 3HD2 LEU 36 0.893 -2.856 1.581
283 H SER 37 H SER 37 5.440 -4.439 -0.595
284 HA SER 37 HA SER 37 7.675 -3.987 -0.683
285 1HB SER 37 2HB SER 37 6.886 -1.359 -1.965
286 2HB SER 37 1HB SER 37 8.540 -1.936 -1.778
287 HG SER 37 HG SER 37 6.808 -2.492 -3.711
288 H ALA 38 H ALA 38 9.319 -2.726 0.439
289 HA ALA 38 HA ALA 38 8.234 -1.395 2.822
290 1HB ALA 38 1HB ALA 38 11.036 -2.400 2.297
291 2HB ALA 38 2HB ALA 38 9.776 -3.289 3.152
292 3HB ALA 38 3HB ALA 38 10.411 -1.789 3.829
293 H GLY 39 H GLY 39 9.993 0.334 3.684
294 1HA GLY 39 2HA GLY 39 9.539 2.681 2.406
295 2HA GLY 39 1HA GLY 39 10.957 2.417 3.399
296 H GLU 40 H GLU 40 12.484 0.750 1.870
297 HA GLU 40 HA GLU 40 13.803 2.400 0.063
298 1HB GLU 40 2HB GLU 40 14.911 0.494 1.006
299 2HB GLU 40 1HB GLU 40 13.721 -0.610 0.336
300 1HG GLU 40 2HG GLU 40 15.752 -0.817 -0.903
301 2HG GLU 40 1HG GLU 40 14.540 -0.062 -1.931
302 H GLN 41 H GLN 41 11.973 -0.511 -0.903
303 HA GLN 41 HA GLN 41 11.959 0.223 -3.651
304 1HB GLN 41 2HB GLN 41 10.283 -1.873 -2.248
305 2HB GLN 41 1HB GLN 41 10.529 -1.742 -3.983
306 1HG GLN 41 2HG GLN 41 12.068 -3.345 -3.546
307 2HG GLN 41 1HG GLN 41 13.082 -1.937 -3.252
308 1HE2 GLN 41 1HE2 GLN 41 13.338 -4.618 -2.201
309 2HE2 GLN 41 2HE2 GLN 41 13.278 -4.488 -0.481
310 H ALA 42 H ALA 42 9.867 1.007 -1.034
311 HA ALA 42 HA ALA 42 7.467 1.493 -2.476
312 1HB ALA 42 1HB ALA 42 7.466 1.213 -0.056
313 2HB ALA 42 2HB ALA 42 6.775 2.775 -0.497
314 3HB ALA 42 3HB ALA 42 8.421 2.683 0.131
315 H GLN 43 H GLN 43 9.918 3.800 -1.220
316 HA GLN 43 HA GLN 43 8.861 6.045 -2.546
317 1HB GLN 43 2HB GLN 43 10.328 6.506 -0.764
318 2HB GLN 43 1HB GLN 43 11.588 5.459 -1.408
319 1HG GLN 43 2HG GLN 43 12.227 7.010 -3.024
320 2HG GLN 43 1HG GLN 43 10.708 7.892 -2.918
321 1HE2 GLN 43 1HE2 GLN 43 11.853 9.814 -2.694
322 2HE2 GLN 43 2HE2 GLN 43 12.619 10.254 -1.205
323 H GLU 44 H GLU 44 11.368 3.731 -3.586
324 HA GLU 44 HA GLU 44 12.050 4.958 -6.013
325 1HB GLU 44 2HB GLU 44 13.287 3.045 -5.104
326 2HB GLU 44 1HB GLU 44 11.900 1.998 -5.374
327 1HG GLU 44 2HG GLU 44 13.448 1.586 -7.122
328 2HG GLU 44 1HG GLU 44 12.108 2.488 -7.822
329 H THR 45 H THR 45 9.662 2.340 -5.506
330 HA THR 45 HA THR 45 8.523 2.342 -8.053
331 HB THR 45 HB THR 45 7.185 1.725 -5.399
332 HG1 THR 45 HG1 THR 45 8.590 0.129 -5.599
333 1HG2 THR 45 1HG2 THR 45 6.282 1.008 -8.200
334 2HG2 THR 45 2HG2 THR 45 5.491 2.161 -7.125
335 3HG2 THR 45 3HG2 THR 45 5.537 0.451 -6.701
336 H ALA 46 H ALA 46 7.887 4.442 -5.298
337 HA ALA 46 HA ALA 46 5.583 5.733 -6.278
338 1HB ALA 46 1HB ALA 46 6.306 5.896 -3.946
339 2HB ALA 46 2HB ALA 46 6.100 7.494 -4.663
340 3HB ALA 46 3HB ALA 46 7.719 6.828 -4.443
341 H ALA 47 H ALA 47 9.034 6.686 -6.530
342 HA ALA 47 HA ALA 47 8.610 9.029 -8.047
343 1HB ALA 47 1HB ALA 47 10.699 8.567 -6.862
344 2HB ALA 47 2HB ALA 47 11.000 8.895 -8.569
345 3HB ALA 47 3HB ALA 47 11.041 7.237 -7.969
346 H LYS 48 H LYS 48 8.938 5.664 -9.001
347 HA LYS 48 HA LYS 48 9.231 6.155 -11.803
348 1HB LYS 48 2HB LYS 48 8.553 3.665 -10.230
349 2HB LYS 48 1HB LYS 48 8.878 3.687 -11.951
350 1HG LYS 48 2HG LYS 48 11.145 4.346 -11.602
351 2HG LYS 48 1HG LYS 48 10.849 4.636 -9.888
352 1HD LYS 48 2HD LYS 48 12.036 2.531 -10.218
353 2HD LYS 48 1HD LYS 48 10.430 2.247 -9.545
354 1HE LYS 48 2HE LYS 48 9.604 1.651 -11.780
355 2HE LYS 48 1HE LYS 48 11.206 1.954 -12.453
356 1HZ LYS 48 1HZ LYS 48 10.861 -0.393 -12.080
357 2HZ LYS 48 2HZ LYS 48 10.529 -0.127 -10.445
358 3HZ LYS 48 3HZ LYS 48 12.078 0.177 -11.053
359 H TRP 49 H TRP 49 6.528 4.922 -9.807
360 HA TRP 49 HA TRP 49 4.759 4.880 -12.123
361 1HB TRP 49 2HB TRP 49 4.306 4.029 -9.248
362 2HB TRP 49 1HB TRP 49 3.143 3.818 -10.552
363 HD1 TRP 49 HD1 TRP 49 6.930 2.915 -10.354
364 HE1 TRP 49 HE1 TRP 49 7.192 0.451 -11.035
365 HE3 TRP 49 HE3 TRP 49 2.005 1.755 -11.092
366 HZ2 TRP 49 HZ2 TRP 49 5.532 -1.702 -11.781
367 HZ3 TRP 49 HZ3 TRP 49 1.426 -0.535 -11.784
368 HH2 TRP 49 HH2 TRP 49 3.155 -2.228 -12.122
369 H PHE 50 H PHE 50 5.018 6.600 -9.032
370 HA PHE 50 HA PHE 50 2.737 8.314 -9.804
371 1HB PHE 50 2HB PHE 50 3.767 7.581 -7.041
372 2HB PHE 50 1HB PHE 50 2.490 8.756 -7.347
373 HD1 PHE 50 HD2 PHE 50 0.304 8.017 -8.224
374 HD2 PHE 50 HD1 PHE 50 3.346 5.225 -7.154
375 HE1 PHE 50 HE2 PHE 50 -1.362 6.206 -8.208
376 HE2 PHE 50 HE1 PHE 50 1.681 3.416 -7.138
377 HZ PHE 50 HZ PHE 50 -0.675 3.905 -7.667
378 H ARG 51 H ARG 51 4.786 9.189 -11.048
379 HA ARG 51 HA ARG 51 6.885 10.460 -9.702
380 1HB ARG 51 2HB ARG 51 7.547 11.328 -11.780
381 2HB ARG 51 1HB ARG 51 6.760 9.807 -12.153
382 1HG ARG 51 2HG ARG 51 5.396 12.490 -12.368
383 2HG ARG 51 1HG ARG 51 6.221 11.696 -13.705
384 1HD ARG 51 2HD ARG 51 3.907 10.510 -12.169
385 2HD ARG 51 1HD ARG 51 3.762 11.357 -13.710
386 HE ARG 51 HE ARG 51 5.636 9.323 -14.042
387 1HH1 ARG 51 1HH1 ARG 51 2.263 9.673 -13.460
388 2HH1 ARG 51 2HH1 ARG 51 1.872 8.154 -14.182
389 1HH2 ARG 51 1HH2 ARG 51 5.131 7.405 -15.004
390 2HH2 ARG 51 2HH2 ARG 51 3.480 6.887 -15.076
391 H GLY 52 H GLY 52 3.702 11.476 -9.635
392 1HA GLY 52 2HA GLY 52 3.824 13.606 -8.086
393 2HA GLY 52 1HA GLY 52 4.342 14.336 -9.595
394 H GLN 53 H GLN 53 1.669 12.438 -8.188
395 HA GLN 53 HA GLN 53 -0.166 13.807 -10.047
396 1HB GLN 53 2HB GLN 53 -0.643 11.290 -8.430
397 2HB GLN 53 1HB GLN 53 -1.759 11.996 -9.589
398 1HG GLN 53 2HG GLN 53 -0.139 11.606 -11.387
399 2HG GLN 53 1HG GLN 53 0.974 10.891 -10.222
400 1HE2 GLN 53 1HE2 GLN 53 -0.213 9.706 -12.592
401 2HE2 GLN 53 2HE2 GLN 53 -1.072 8.306 -12.053
402 H ALA 54 H ALA 54 0.997 14.846 -7.562
403 HA ALA 54 HA ALA 54 0.429 16.293 -5.932
404 1HB ALA 54 1HB ALA 54 -1.704 17.421 -6.039
405 2HB ALA 54 2HB ALA 54 -2.353 16.150 -7.077
406 3HB ALA 54 3HB ALA 54 -1.060 17.195 -7.666
407 H ASN 55 H ASN 55 -2.649 14.487 -5.993
408 HA ASN 55 HA ASN 55 -2.636 14.438 -3.098
409 1HB ASN 55 2HB ASN 55 -4.736 13.451 -5.049
410 2HB ASN 55 1HB ASN 55 -4.944 13.627 -3.307
411 1HD2 ASN 55 1HD2 ASN 55 -5.107 15.694 -2.425
412 2HD2 ASN 55 2HD2 ASN 55 -5.429 17.082 -3.400
413 H LEU 56 H LEU 56 -0.651 12.975 -3.458
414 HA LEU 56 HA LEU 56 -1.307 10.157 -3.792
415 1HB LEU 56 2HB LEU 56 1.324 11.438 -3.017
416 2HB LEU 56 1HB LEU 56 1.084 9.765 -3.493
417 HG LEU 56 HG LEU 56 0.803 12.212 -5.249
418 1HD1 LEU 56 1HD1 LEU 56 2.701 9.873 -5.398
419 2HD1 LEU 56 2HD1 LEU 56 3.102 11.491 -4.820
420 3HD1 LEU 56 3HD1 LEU 56 2.637 11.248 -6.504
421 1HD2 LEU 56 1HD2 LEU 56 0.179 9.323 -5.868
422 2HD2 LEU 56 2HD2 LEU 56 0.356 10.595 -7.077
423 3HD2 LEU 56 3HD2 LEU 56 -0.939 10.691 -5.886
424 H VAL 57 H VAL 57 -1.433 8.649 -2.205
425 HA VAL 57 HA VAL 57 -1.048 9.511 0.595
426 HB VAL 57 HB VAL 57 -3.171 7.597 -0.430
427 1HG1 VAL 57 1HG1 VAL 57 -4.040 7.644 1.868
428 2HG1 VAL 57 2HG1 VAL 57 -2.674 8.644 2.364
429 3HG1 VAL 57 3HG1 VAL 57 -2.402 6.993 1.806
430 1HG2 VAL 57 1HG2 VAL 57 -3.470 10.408 0.651
431 2HG2 VAL 57 2HG2 VAL 57 -4.790 9.328 0.198
432 3HG2 VAL 57 3HG2 VAL 57 -3.673 9.919 -1.032
433 H LEU 58 H LEU 58 -0.026 8.069 1.971
434 HA LEU 58 HA LEU 58 1.107 5.650 0.714
435 1HB LEU 58 2HB LEU 58 2.717 7.408 1.399
436 2HB LEU 58 1HB LEU 58 2.153 7.273 3.050
437 HG LEU 58 HG LEU 58 3.355 4.892 1.636
438 1HD1 LEU 58 1HD1 LEU 58 4.864 7.027 3.154
439 2HD1 LEU 58 2HD1 LEU 58 4.970 6.715 1.421
440 3HD1 LEU 58 3HD1 LEU 58 5.531 5.501 2.570
441 1HD2 LEU 58 1HD2 LEU 58 2.214 4.441 3.743
442 2HD2 LEU 58 2HD2 LEU 58 3.162 5.689 4.551
443 3HD2 LEU 58 3HD2 LEU 58 3.954 4.237 3.938
444 H LEU 59 H LEU 59 0.119 3.823 1.337
445 HA LEU 59 HA LEU 59 -1.382 3.651 3.795
446 1HB LEU 59 2HB LEU 59 -0.708 1.488 1.793
447 2HB LEU 59 1HB LEU 59 -1.879 1.357 3.093
448 HG LEU 59 HG LEU 59 -2.065 3.136 0.663
449 1HD1 LEU 59 1HD1 LEU 59 -4.048 1.793 0.148
450 2HD1 LEU 59 2HD1 LEU 59 -3.734 0.787 1.562
451 3HD1 LEU 59 3HD1 LEU 59 -2.589 0.806 0.220
452 1HD2 LEU 59 1HD2 LEU 59 -3.952 2.933 3.011
453 2HD2 LEU 59 2HD2 LEU 59 -4.234 3.850 1.530
454 3HD2 LEU 59 3HD2 LEU 59 -2.926 4.313 2.616
455 H ALA 60 H ALA 60 -0.288 3.506 5.644
456 HA ALA 60 HA ALA 60 2.129 1.866 5.838
457 1HB ALA 60 1HB ALA 60 2.361 2.836 8.082
458 2HB ALA 60 2HB ALA 60 0.816 3.665 7.885
459 3HB ALA 60 3HB ALA 60 2.183 4.090 6.853
460 H VAL 61 H VAL 61 1.802 -0.252 6.171
461 HA VAL 61 HA VAL 61 -0.344 -1.083 8.037
462 HB VAL 61 HB VAL 61 0.722 -2.692 5.701
463 1HG1 VAL 61 1HG1 VAL 61 -1.156 -4.197 6.169
464 2HG1 VAL 61 2HG1 VAL 61 -1.614 -3.202 7.551
465 3HG1 VAL 61 3HG1 VAL 61 -0.077 -4.068 7.560
466 1HG2 VAL 61 1HG2 VAL 61 -0.534 -0.789 4.865
467 2HG2 VAL 61 2HG2 VAL 61 -1.872 -1.160 5.953
468 3HG2 VAL 61 3HG2 VAL 61 -1.468 -2.270 4.643
469 H GLU 62 H GLU 62 0.501 -1.810 9.910
470 HA GLU 62 HA GLU 62 3.182 -2.870 10.053
471 1HB GLU 62 2HB GLU 62 2.693 -3.186 12.464
472 2HB GLU 62 1HB GLU 62 2.375 -1.549 11.911
473 1HG GLU 62 2HG GLU 62 -0.042 -2.135 11.758
474 2HG GLU 62 1HG GLU 62 0.338 -3.697 12.480
475 H ALA 63 H ALA 63 3.484 -4.797 9.119
476 HA ALA 63 HA ALA 63 1.518 -6.896 9.123
477 1HB ALA 63 1HB ALA 63 3.042 -6.555 7.247
478 2HB ALA 63 2HB ALA 63 3.207 -8.177 7.919
479 3HB ALA 63 3HB ALA 63 4.414 -6.943 8.284
480 H GLU 64 H GLU 64 2.134 -6.198 11.785
481 HA GLU 64 HA GLU 64 4.010 -8.067 12.888
482 1HB GLU 64 2HB GLU 64 3.291 -5.772 13.855
483 2HB GLU 64 1HB GLU 64 1.890 -6.630 14.483
484 1HG GLU 64 2HG GLU 64 3.547 -6.503 16.203
485 2HG GLU 64 1HG GLU 64 3.426 -8.179 15.667
486 HA PRO 65 HA PRO 65 0.081 -10.679 13.780
487 1HB PRO 65 2HB PRO 65 -2.333 -9.920 12.970
488 2HB PRO 65 1HB PRO 65 -1.620 -9.177 14.411
489 1HG PRO 65 2HG PRO 65 -1.651 -8.134 11.586
490 2HG PRO 65 1HG PRO 65 -2.137 -7.299 13.079
491 1HD PRO 65 2HD PRO 65 0.333 -6.985 11.995
492 2HD PRO 65 1HD PRO 65 0.035 -6.952 13.739
493 H LEU 66 H LEU 66 -2.017 -11.342 12.115
494 HA LEU 66 HA LEU 66 -2.600 -12.520 10.272
495 1HB LEU 66 2HB LEU 66 -0.488 -10.844 8.908
496 2HB LEU 66 1HB LEU 66 -1.627 -11.889 8.077
497 HG LEU 66 HG LEU 66 -2.335 -9.438 9.709
498 1HD1 LEU 66 1HD1 LEU 66 -3.029 -8.490 7.555
499 2HD1 LEU 66 2HD1 LEU 66 -2.424 -9.928 6.730
500 3HD1 LEU 66 3HD1 LEU 66 -1.306 -8.865 7.585
501 1HD2 LEU 66 1HD2 LEU 66 -4.124 -11.304 8.141
502 2HD2 LEU 66 2HD2 LEU 66 -4.625 -9.801 8.918
503 3HD2 LEU 66 3HD2 LEU 66 -4.062 -11.154 9.898
504 H GLY 67 H GLY 67 0.933 -12.161 10.262
505 1HA GLY 67 2HA GLY 67 2.605 -13.734 10.348
506 2HA GLY 67 1HA GLY 67 1.385 -14.939 10.714
507 H GLU 68 H GLU 68 0.665 -16.287 9.105
508 HA GLU 68 HA GLU 68 2.517 -16.678 6.973
509 1HB GLU 68 2HB GLU 68 -0.094 -18.077 7.586
510 2HB GLU 68 1HB GLU 68 1.055 -18.607 6.368
511 1HG GLU 68 2HG GLU 68 1.327 -19.938 8.346
512 2HG GLU 68 1HG GLU 68 2.750 -18.921 8.139
513 H ASP 69 H ASP 69 -0.331 -14.836 7.159
514 HA ASP 69 HA ASP 69 -1.271 -15.059 4.498
515 1HB ASP 69 2HB ASP 69 -1.544 -12.783 6.476
516 2HB ASP 69 1HB ASP 69 -2.466 -12.941 4.981
517 H LEU 70 H LEU 70 1.486 -13.509 5.788
518 HA LEU 70 HA LEU 70 1.925 -12.067 3.241
519 1HB LEU 70 2HB LEU 70 1.583 -10.508 5.125
520 2HB LEU 70 1HB LEU 70 2.881 -11.292 6.007
521 HG LEU 70 HG LEU 70 4.376 -10.626 4.001
522 1HD1 LEU 70 1HD1 LEU 70 3.681 -8.628 2.790
523 2HD1 LEU 70 2HD1 LEU 70 2.104 -8.685 3.578
524 3HD1 LEU 70 3HD1 LEU 70 2.586 -9.974 2.475
525 1HD2 LEU 70 1HD2 LEU 70 4.602 -9.664 6.219
526 2HD2 LEU 70 2HD2 LEU 70 3.309 -8.515 5.869
527 3HD2 LEU 70 3HD2 LEU 70 4.827 -8.435 4.975
528 H LYS 71 H LYS 71 4.008 -12.187 2.342
529 HA LYS 71 HA LYS 71 6.141 -13.401 3.904
530 1HB LYS 71 2HB LYS 71 5.107 -15.331 2.753
531 2HB LYS 71 1HB LYS 71 5.372 -14.541 1.202
532 1HG LYS 71 2HG LYS 71 7.762 -14.663 1.486
533 2HG LYS 71 1HG LYS 71 7.574 -15.278 3.126
534 1HD LYS 71 2HD LYS 71 8.116 -17.143 1.770
535 2HD LYS 71 1HD LYS 71 6.398 -17.277 2.130
536 1HE LYS 71 2HE LYS 71 7.402 -16.018 -0.415
537 2HE LYS 71 1HE LYS 71 7.162 -17.756 -0.265
538 1HZ LYS 71 1HZ LYS 71 5.234 -16.728 -1.229
539 2HZ LYS 71 2HZ LYS 71 5.079 -15.672 0.074
540 3HZ LYS 71 3HZ LYS 71 4.836 -17.329 0.300
541 H TRP 72 H TRP 72 7.971 -12.289 3.636
542 HA TRP 72 HA TRP 72 8.275 -10.322 1.574
543 1HB TRP 72 2HB TRP 72 10.288 -11.451 3.543
544 2HB TRP 72 1HB TRP 72 10.586 -10.072 2.489
545 HD1 TRP 72 HD1 TRP 72 8.130 -11.063 5.333
546 HE1 TRP 72 HE1 TRP 72 7.534 -8.938 6.651
547 HE3 TRP 72 HE3 TRP 72 10.672 -7.634 2.524
548 HZ2 TRP 72 HZ2 TRP 72 8.069 -6.169 6.518
549 HZ3 TRP 72 HZ3 TRP 72 10.578 -5.267 3.186
550 HH2 TRP 72 HH2 TRP 72 9.304 -4.548 5.144
551 H GLU 73 H GLU 73 8.111 -11.356 -0.379
552 HA GLU 73 HA GLU 73 9.521 -13.842 -0.865
553 1HB GLU 73 2HB GLU 73 7.157 -13.508 -1.499
554 2HB GLU 73 1HB GLU 73 7.647 -12.256 -2.628
555 1HG GLU 73 2HG GLU 73 8.768 -13.838 -4.013
556 2HG GLU 73 1HG GLU 73 8.579 -15.112 -2.806
557 H ALA 74 H ALA 74 11.336 -14.082 -2.031
558 HA ALA 74 HA ALA 74 12.825 -11.744 -2.785
559 1HB ALA 74 1HB ALA 74 14.626 -13.310 -3.301
560 2HB ALA 74 2HB ALA 74 13.512 -14.664 -3.105
561 3HB ALA 74 3HB ALA 74 13.914 -13.645 -1.723
562 H SER 75 H SER 75 13.689 -11.238 -4.814
563 HA SER 75 HA SER 75 12.500 -12.595 -7.151
564 1HB SER 75 2HB SER 75 11.303 -10.460 -6.764
565 2HB SER 75 1HB SER 75 12.833 -9.590 -6.849
566 HG SER 75 HG SER 75 11.654 -9.579 -8.840
567 H ARG 76 H ARG 76 13.705 -11.508 -9.218
568 HA ARG 76 HA ARG 76 16.239 -12.657 -9.306
569 1HB ARG 76 2HB ARG 76 14.747 -12.111 -11.246
570 2HB ARG 76 1HB ARG 76 15.206 -10.425 -11.071
571 1HG ARG 76 2HG ARG 76 16.465 -11.401 -12.856
572 2HG ARG 76 1HG ARG 76 17.560 -11.063 -11.515
573 1HD ARG 76 2HD ARG 76 17.913 -13.289 -11.063
574 2HD ARG 76 1HD ARG 76 16.326 -13.775 -11.663
575 HE ARG 76 HE ARG 76 17.479 -13.039 -13.922
576 1HH1 ARG 76 1HH1 ARG 76 18.837 -14.900 -11.353
577 2HH1 ARG 76 2HH1 ARG 76 19.806 -15.853 -12.425
578 1HH2 ARG 76 1HH2 ARG 76 18.697 -14.276 -15.270
579 2HH2 ARG 76 2HH2 ARG 76 19.727 -15.504 -14.620
580 H GLY 77 H GLY 77 17.843 -12.026 -7.947
581 1HA GLY 77 2HA GLY 77 19.723 -10.331 -8.032
582 2HA GLY 77 1HA GLY 77 18.469 -9.134 -7.745
583 H GLY 78 H GLY 78 17.218 -11.365 -5.942
584 1HA GLY 78 2HA GLY 78 17.675 -12.260 -3.782
585 2HA GLY 78 1HA GLY 78 19.060 -11.190 -3.650
586 H ALA 79 H ALA 79 16.712 -9.254 -4.811
587 HA ALA 79 HA ALA 79 16.272 -7.875 -2.380
588 1HB ALA 79 1HB ALA 79 14.781 -6.449 -3.666
589 2HB ALA 79 2HB ALA 79 14.739 -7.634 -4.971
590 3HB ALA 79 3HB ALA 79 16.242 -6.791 -4.593
591 H ARG 80 H ARG 80 14.520 -7.786 -1.000
592 HA ARG 80 HA ARG 80 12.648 -10.058 -1.168
593 1HB ARG 80 2HB ARG 80 13.307 -8.321 1.225
594 2HB ARG 80 1HB ARG 80 12.388 -9.820 1.241
595 1HG ARG 80 2HG ARG 80 15.285 -9.630 0.428
596 2HG ARG 80 1HG ARG 80 14.746 -10.001 2.064
597 1HD ARG 80 2HD ARG 80 13.963 -11.627 -0.358
598 2HD ARG 80 1HD ARG 80 15.371 -11.985 0.642
599 HE ARG 80 HE ARG 80 13.148 -11.808 2.321
600 1HH1 ARG 80 1HH1 ARG 80 14.344 -13.834 -0.203
601 2HH1 ARG 80 2HH1 ARG 80 13.522 -15.234 0.386
602 1HH2 ARG 80 1HH2 ARG 80 12.135 -13.621 3.089
603 2HH2 ARG 80 2HH2 ARG 80 12.288 -15.116 2.232
604 H PHE 81 H PHE 81 10.710 -9.530 -2.024
605 HA PHE 81 HA PHE 81 9.545 -6.884 -1.434
606 1HB PHE 81 2HB PHE 81 8.929 -8.840 -3.665
607 2HB PHE 81 1HB PHE 81 8.058 -7.336 -3.391
608 HD1 PHE 81 HD1 PHE 81 11.197 -8.833 -4.542
609 HD2 PHE 81 HD2 PHE 81 9.066 -5.197 -3.915
610 HE1 PHE 81 HE1 PHE 81 12.834 -7.638 -5.933
611 HE2 PHE 81 HE2 PHE 81 10.705 -3.995 -5.303
612 HZ PHE 81 HZ PHE 81 12.593 -5.215 -6.315
613 HA PRO 82 HA PRO 82 6.773 -9.252 1.254
614 1HB PRO 82 2HB PRO 82 5.398 -7.091 2.203
615 2HB PRO 82 1HB PRO 82 6.981 -7.584 2.815
616 1HG PRO 82 2HG PRO 82 6.300 -5.448 0.825
617 2HG PRO 82 1HG PRO 82 7.449 -5.395 2.177
618 1HD PRO 82 2HD PRO 82 8.248 -5.789 -0.378
619 2HD PRO 82 1HD PRO 82 9.084 -6.541 0.997
620 H HIS 83 H HIS 83 5.470 -10.357 -0.155
621 HA HIS 83 HA HIS 83 3.296 -8.922 -1.518
622 1HB HIS 83 2HB HIS 83 4.342 -11.749 -1.775
623 2HB HIS 83 1HB HIS 83 2.867 -11.203 -2.562
624 HD1 HIS 83 HD1 HIS 83 6.095 -11.923 -3.488
625 HD2 HIS 83 HD2 HIS 83 3.696 -8.585 -4.100
626 HE1 HIS 83 HE1 HIS 83 7.059 -10.762 -5.491
627 HE2 HIS 83 HE2 HIS 83 5.382 -8.974 -6.030
628 H LEU 84 H LEU 84 1.257 -8.958 -0.752
629 HA LEU 84 HA LEU 84 0.610 -10.727 1.498
630 1HB LEU 84 2HB LEU 84 0.096 -8.285 1.640
631 2HB LEU 84 1HB LEU 84 -1.040 -8.480 0.316
632 HG LEU 84 HG LEU 84 -2.341 -10.081 1.731
633 1HD1 LEU 84 1HD1 LEU 84 -1.910 -10.108 4.158
634 2HD1 LEU 84 2HD1 LEU 84 -0.419 -9.204 3.888
635 3HD1 LEU 84 3HD1 LEU 84 -0.598 -10.831 3.228
636 1HD2 LEU 84 1HD2 LEU 84 -1.967 -7.345 2.947
637 2HD2 LEU 84 2HD2 LEU 84 -3.373 -8.398 3.136
638 3HD2 LEU 84 3HD2 LEU 84 -2.983 -7.723 1.555
639 H TYR 85 H TYR 85 -0.948 -12.329 1.398
640 HA TYR 85 HA TYR 85 -1.766 -13.045 -1.341
641 1HB TYR 85 2HB TYR 85 -1.381 -14.821 1.083
642 2HB TYR 85 1HB TYR 85 -1.809 -15.374 -0.536
643 HD1 TYR 85 HD1 TYR 85 0.877 -13.877 1.510
644 HD2 TYR 85 HD2 TYR 85 -0.141 -15.529 -2.280
645 HE1 TYR 85 HE1 TYR 85 3.256 -13.957 0.911
646 HE2 TYR 85 HE2 TYR 85 2.241 -15.614 -2.885
647 HH TYR 85 HH TYR 85 4.342 -14.511 -2.274
648 H ARG 86 H ARG 86 -3.208 -11.461 0.982
649 HA ARG 86 HA ARG 86 -5.841 -12.453 0.175
650 1HB ARG 86 2HB ARG 86 -5.049 -11.926 3.056
651 2HB ARG 86 1HB ARG 86 -6.718 -12.064 2.512
652 1HG ARG 86 2HG ARG 86 -5.963 -14.363 1.573
653 2HG ARG 86 1HG ARG 86 -4.601 -14.174 2.676
654 1HD ARG 86 2HD ARG 86 -7.473 -13.942 3.571
655 2HD ARG 86 1HD ARG 86 -6.609 -15.475 3.542
656 HE ARG 86 HE ARG 86 -4.960 -14.041 5.023
657 1HH1 ARG 86 1HH1 ARG 86 -8.392 -14.222 5.152
658 2HH1 ARG 86 2HH1 ARG 86 -8.458 -13.961 6.858
659 1HH2 ARG 86 1HH2 ARG 86 -5.038 -13.739 7.223
660 2HH2 ARG 86 2HH2 ARG 86 -6.571 -13.705 8.028
661 HA PRO 87 HA PRO 87 -6.837 -8.210 -0.602
662 1HB PRO 87 2HB PRO 87 -9.375 -8.016 0.532
663 2HB PRO 87 1HB PRO 87 -9.023 -8.625 -1.088
664 1HG PRO 87 2HG PRO 87 -9.495 -10.142 1.447
665 2HG PRO 87 1HG PRO 87 -10.050 -10.505 -0.199
666 1HD PRO 87 2HD PRO 87 -7.986 -11.822 0.884
667 2HD PRO 87 1HD PRO 87 -7.980 -11.377 -0.836
668 H LEU 88 H LEU 88 -6.301 -6.323 0.364
669 HA LEU 88 HA LEU 88 -5.728 -6.319 3.194
670 1HB LEU 88 2HB LEU 88 -4.175 -5.313 1.601
671 2HB LEU 88 1HB LEU 88 -5.406 -4.175 1.087
672 HG LEU 88 HG LEU 88 -5.390 -3.172 3.363
673 1HD1 LEU 88 1HD1 LEU 88 -4.632 -5.092 4.648
674 2HD1 LEU 88 2HD1 LEU 88 -3.561 -3.715 4.901
675 3HD1 LEU 88 3HD1 LEU 88 -3.062 -5.035 3.843
676 1HD2 LEU 88 1HD2 LEU 88 -2.714 -3.256 1.964
677 2HD2 LEU 88 2HD2 LEU 88 -3.223 -2.038 3.133
678 3HD2 LEU 88 3HD2 LEU 88 -4.059 -2.178 1.588
679 H LEU 89 H LEU 89 -7.453 -6.110 4.523
680 HA LEU 89 HA LEU 89 -9.778 -4.585 4.025
681 1HB LEU 89 2HB LEU 89 -8.551 -5.631 6.578
682 2HB LEU 89 1HB LEU 89 -10.046 -4.717 6.575
683 HG LEU 89 HG LEU 89 -10.495 -7.104 6.709
684 1HD1 LEU 89 1HD1 LEU 89 -12.100 -5.673 5.544
685 2HD1 LEU 89 2HD1 LEU 89 -12.079 -7.306 4.880
686 3HD1 LEU 89 3HD1 LEU 89 -11.279 -5.993 4.016
687 1HD2 LEU 89 1HD2 LEU 89 -9.962 -8.625 4.882
688 2HD2 LEU 89 2HD2 LEU 89 -8.493 -7.941 5.580
689 3HD2 LEU 89 3HD2 LEU 89 -9.104 -7.335 4.038
690 H VAL 90 H VAL 90 -10.084 -2.437 4.040
691 HA VAL 90 HA VAL 90 -8.099 -0.544 4.531
692 HB VAL 90 HB VAL 90 -11.108 -0.210 4.545
693 1HG1 VAL 90 1HG1 VAL 90 -10.687 2.202 4.191
694 2HG1 VAL 90 2HG1 VAL 90 -8.970 1.925 4.487
695 3HG1 VAL 90 3HG1 VAL 90 -10.142 1.646 5.774
696 1HG2 VAL 90 1HG2 VAL 90 -9.026 0.326 2.417
697 2HG2 VAL 90 2HG2 VAL 90 -10.748 0.682 2.274
698 3HG2 VAL 90 3HG2 VAL 90 -10.203 -0.989 2.422
699 H SER 91 H SER 91 -10.576 -1.800 6.722
700 HA SER 91 HA SER 91 -10.058 0.086 8.818
701 1HB SER 91 2HB SER 91 -12.230 -1.111 8.536
702 2HB SER 91 1HB SER 91 -11.435 -2.605 9.026
703 HG SER 91 HG SER 91 -10.858 -0.835 10.888
704 H GLU 92 H GLU 92 -8.186 -2.445 7.733
705 HA GLU 92 HA GLU 92 -7.100 -3.118 10.383
706 1HB GLU 92 2HB GLU 92 -7.681 -4.942 8.763
707 2HB GLU 92 1HB GLU 92 -6.437 -4.332 7.684
708 1HG GLU 92 2HG GLU 92 -5.578 -6.226 8.865
709 2HG GLU 92 1HG GLU 92 -4.747 -4.781 9.434
710 H VAL 93 H VAL 93 -6.507 -0.992 7.823
711 HA VAL 93 HA VAL 93 -3.659 -0.993 7.771
712 HB VAL 93 HB VAL 93 -5.573 1.221 6.980
713 1HG1 VAL 93 1HG1 VAL 93 -2.665 0.803 6.269
714 2HG1 VAL 93 2HG1 VAL 93 -3.319 2.076 7.301
715 3HG1 VAL 93 3HG1 VAL 93 -3.719 2.041 5.584
716 1HG2 VAL 93 1HG2 VAL 93 -5.259 0.358 4.682
717 2HG2 VAL 93 2HG2 VAL 93 -6.038 -0.816 5.743
718 3HG2 VAL 93 3HG2 VAL 93 -4.331 -0.994 5.336
719 H THR 94 H THR 94 -2.172 0.119 8.962
720 HA THR 94 HA THR 94 -2.858 1.072 11.536
721 HB THR 94 HB THR 94 -0.274 1.528 10.015
722 HG1 THR 94 HG1 THR 94 -0.170 -0.354 11.952
723 1HG2 THR 94 1HG2 THR 94 -0.891 1.668 12.976
724 2HG2 THR 94 2HG2 THR 94 -0.449 3.020 11.932
725 3HG2 THR 94 3HG2 THR 94 0.724 1.748 12.272
726 H ARG 95 H ARG 95 -1.785 2.809 8.616
727 HA ARG 95 HA ARG 95 -3.258 5.173 9.426
728 1HB ARG 95 2HB ARG 95 -1.113 5.436 10.620
729 2HB ARG 95 1HB ARG 95 -0.253 5.289 9.098
730 1HG ARG 95 2HG ARG 95 -0.324 7.595 9.632
731 2HG ARG 95 1HG ARG 95 -1.474 7.343 8.317
732 1HD ARG 95 2HD ARG 95 -2.455 8.802 9.975
733 2HD ARG 95 1HD ARG 95 -3.304 7.257 9.978
734 HE ARG 95 HE ARG 95 -1.183 7.756 11.948
735 1HH1 ARG 95 1HH1 ARG 95 -4.507 7.143 11.234
736 2HH1 ARG 95 2HH1 ARG 95 -4.921 6.902 12.894
737 1HH2 ARG 95 1HH2 ARG 95 -1.746 7.427 14.072
738 2HH2 ARG 95 2HH2 ARG 95 -3.396 7.068 14.469
739 H GLU 96 H GLU 96 -3.820 6.433 7.744
740 HA GLU 96 HA GLU 96 -2.821 5.750 5.067
741 1HB GLU 96 2HB GLU 96 -4.691 7.200 4.244
742 2HB GLU 96 1HB GLU 96 -5.224 5.809 5.176
743 1HG GLU 96 2HG GLU 96 -5.629 7.212 7.110
744 2HG GLU 96 1HG GLU 96 -4.986 8.616 6.260
745 H ALA 97 H ALA 97 -0.789 6.715 5.125
746 HA ALA 97 HA ALA 97 -0.414 9.315 6.276
747 1HB ALA 97 1HB ALA 97 1.278 7.547 6.470
748 2HB ALA 97 2HB ALA 97 1.930 9.023 5.757
749 3HB ALA 97 3HB ALA 97 1.557 7.637 4.731
750 H ASP 98 H ASP 98 -1.785 10.632 4.948
751 HA ASP 98 HA ASP 98 -1.243 11.154 2.216
752 1HB ASP 98 2HB ASP 98 -3.331 11.855 3.328
753 2HB ASP 98 1HB ASP 98 -2.424 12.974 4.338
754 H LEU 99 H LEU 99 0.169 12.616 1.246
755 HA LEU 99 HA LEU 99 1.935 14.185 2.983
756 1HB LEU 99 2HB LEU 99 3.955 13.372 1.899
757 2HB LEU 99 1HB LEU 99 3.100 12.066 2.691
758 HG LEU 99 HG LEU 99 2.863 12.564 -0.281
759 1HD1 LEU 99 1HD1 LEU 99 5.226 12.220 0.245
760 2HD1 LEU 99 2HD1 LEU 99 4.557 10.836 -0.617
761 3HD1 LEU 99 3HD1 LEU 99 4.823 10.745 1.125
762 1HD2 LEU 99 1HD2 LEU 99 1.128 11.159 0.739
763 2HD2 LEU 99 2HD2 LEU 99 2.373 10.105 1.411
764 3HD2 LEU 99 3HD2 LEU 99 2.165 10.223 -0.338
765 H ASP 100 H ASP 100 2.747 16.034 2.094
766 HA ASP 100 HA ASP 100 1.817 16.834 -0.544
767 1HB ASP 100 2HB ASP 100 3.367 18.324 1.593
768 2HB ASP 100 1HB ASP 100 2.873 19.028 0.055
769 H LEU 101 H LEU 101 3.053 16.938 -2.337
770 HA LEU 101 HA LEU 101 5.513 15.498 -2.365
771 1HB LEU 101 2HB LEU 101 4.200 17.133 -4.540
772 2HB LEU 101 1HB LEU 101 5.544 16.032 -4.777
773 HG LEU 101 HG LEU 101 2.757 15.256 -3.893
774 1HD1 LEU 101 1HD1 LEU 101 2.866 15.903 -6.241
775 2HD1 LEU 101 2HD1 LEU 101 2.603 14.168 -6.069
776 3HD1 LEU 101 3HD1 LEU 101 4.202 14.778 -6.499
777 1HD2 LEU 101 1HD2 LEU 101 3.544 12.944 -4.127
778 2HD2 LEU 101 2HD2 LEU 101 4.430 13.809 -2.873
779 3HD2 LEU 101 3HD2 LEU 101 5.177 13.532 -4.446
780 H ASP 102 H ASP 102 7.595 16.194 -2.875
781 HA ASP 102 HA ASP 102 8.502 18.679 -1.923
782 1HB ASP 102 2HB ASP 102 9.863 16.581 -2.214
783 2HB ASP 102 1HB ASP 102 9.864 16.876 -3.947
784 H ALA 103 H ALA 103 9.706 20.333 -3.295
785 HA ALA 103 HA ALA 103 8.014 21.531 -5.200
786 1HB ALA 103 1HB ALA 103 9.666 22.773 -3.870
787 2HB ALA 103 2HB ALA 103 9.829 23.102 -5.595
788 3HB ALA 103 3HB ALA 103 10.967 22.019 -4.790
789 H ASP 104 H ASP 104 10.519 19.157 -5.561
790 HA ASP 104 HA ASP 104 10.764 19.466 -8.433
791 1HB ASP 104 2HB ASP 104 12.663 18.747 -6.946
792 2HB ASP 104 1HB ASP 104 11.798 17.245 -6.640
793 H GLY 105 H GLY 105 8.571 18.065 -6.332
794 1HA GLY 105 2HA GLY 105 6.614 16.922 -6.880
795 2HA GLY 105 1HA GLY 105 7.292 16.574 -8.459
796 H VAL 106 H VAL 106 8.992 15.882 -5.471
797 HA VAL 106 HA VAL 106 8.904 13.023 -6.167
798 HB VAL 106 HB VAL 106 10.860 14.519 -4.405
799 1HG1 VAL 106 1HG1 VAL 106 10.657 12.229 -3.655
800 2HG1 VAL 106 2HG1 VAL 106 12.191 12.427 -4.503
801 3HG1 VAL 106 3HG1 VAL 106 10.835 11.634 -5.306
802 1HG2 VAL 106 1HG2 VAL 106 11.078 15.118 -6.763
803 2HG2 VAL 106 2HG2 VAL 106 11.186 13.413 -7.201
804 3HG2 VAL 106 3HG2 VAL 106 12.459 14.156 -6.233
805 HA PRO 107 HA PRO 107 6.585 12.337 -2.312
806 1HB PRO 107 2HB PRO 107 6.305 9.651 -2.656
807 2HB PRO 107 1HB PRO 107 5.270 10.830 -3.472
808 1HG PRO 107 2HG PRO 107 7.667 9.365 -4.525
809 2HG PRO 107 1HG PRO 107 6.112 9.675 -5.318
810 1HD PRO 107 2HD PRO 107 8.337 11.143 -5.829
811 2HD PRO 107 1HD PRO 107 6.702 11.830 -5.908
812 H GLN 108 H GLN 108 8.535 12.914 -1.155
813 HA GLN 108 HA GLN 108 10.685 11.015 -0.882
814 1HB GLN 108 2HB GLN 108 11.699 12.736 0.569
815 2HB GLN 108 1HB GLN 108 11.181 13.378 -0.982
816 1HG GLN 108 2HG GLN 108 9.075 14.159 0.188
817 2HG GLN 108 1HG GLN 108 9.874 13.749 1.703
818 1HE2 GLN 108 1HE2 GLN 108 11.413 15.151 -1.147
819 2HE2 GLN 108 2HE2 GLN 108 11.795 16.662 -0.414
820 H LEU 109 H LEU 109 10.607 9.326 0.428
821 HA LEU 109 HA LEU 109 8.808 9.277 2.716
822 1HB LEU 109 2HB LEU 109 10.345 7.238 1.185
823 2HB LEU 109 1HB LEU 109 9.945 6.866 2.851
824 HG LEU 109 HG LEU 109 7.577 7.076 2.390
825 1HD1 LEU 109 1HD1 LEU 109 7.670 8.877 0.755
826 2HD1 LEU 109 2HD1 LEU 109 6.719 7.518 0.157
827 3HD1 LEU 109 3HD1 LEU 109 8.361 7.773 -0.437
828 1HD2 LEU 109 1HD2 LEU 109 8.949 5.378 0.303
829 2HD2 LEU 109 2HD2 LEU 109 7.286 5.192 0.862
830 3HD2 LEU 109 3HD2 LEU 109 8.625 4.910 1.973
831 H GLY 110 H GLY 110 12.252 9.506 2.128
832 1HA GLY 110 2HA GLY 110 13.394 8.588 4.446
833 2HA GLY 110 1HA GLY 110 13.989 9.986 3.569
834 H ASP 111 H ASP 111 12.021 11.847 4.002
835 HA ASP 111 HA ASP 111 12.532 12.761 6.622
836 1HB ASP 111 2HB ASP 111 12.039 14.319 4.830
837 2HB ASP 111 1HB ASP 111 10.440 13.616 4.605
838 H HIS 112 H HIS 112 9.768 11.022 5.226
839 HA HIS 112 HA HIS 112 8.118 11.426 7.553
840 1HB HIS 112 2HB HIS 112 7.154 11.312 5.303
841 2HB HIS 112 1HB HIS 112 7.728 9.658 5.127
842 HD1 HIS 112 HD1 HIS 112 5.272 11.677 7.197
843 HD2 HIS 112 HD2 HIS 112 6.017 7.759 6.040
844 HE1 HIS 112 HE1 HIS 112 3.303 10.354 8.020
845 HE2 HIS 112 HE2 HIS 112 3.845 7.967 7.447
846 H LEU 113 H LEU 113 10.397 9.019 6.525
847 HA LEU 113 HA LEU 113 9.350 7.041 8.412
848 1HB LEU 113 2HB LEU 113 11.684 6.798 6.509
849 2HB LEU 113 1HB LEU 113 10.955 5.496 7.432
850 HG LEU 113 HG LEU 113 9.722 7.022 5.134
851 1HD1 LEU 113 1HD1 LEU 113 10.453 4.110 5.443
852 2HD1 LEU 113 2HD1 LEU 113 11.332 5.307 4.490
853 3HD1 LEU 113 3HD1 LEU 113 9.694 4.848 4.030
854 1HD2 LEU 113 1HD2 LEU 113 8.002 6.625 6.801
855 2HD2 LEU 113 2HD2 LEU 113 8.459 4.925 6.901
856 3HD2 LEU 113 3HD2 LEU 113 7.761 5.565 5.412
857 H ALA 114 H ALA 114 12.779 7.016 7.897
858 HA ALA 114 HA ALA 114 14.593 7.473 9.165
859 1HB ALA 114 1HB ALA 114 12.837 9.403 10.669
860 2HB ALA 114 2HB ALA 114 13.717 9.766 9.184
861 3HB ALA 114 3HB ALA 114 14.601 9.365 10.657
862 H LEU 115 H LEU 115 11.666 6.654 10.964
863 HA LEU 115 HA LEU 115 11.275 5.681 12.981
864 1HB LEU 115 2HB LEU 115 14.010 4.482 12.487
865 2HB LEU 115 1HB LEU 115 12.879 3.930 13.710
866 HG LEU 115 HG LEU 115 12.456 3.813 10.714
867 1HD1 LEU 115 1HD1 LEU 115 14.080 2.180 11.504
868 2HD1 LEU 115 2HD1 LEU 115 12.581 1.387 11.023
869 3HD1 LEU 115 3HD1 LEU 115 12.946 1.619 12.734
870 1HD2 LEU 115 1HD2 LEU 115 10.423 2.525 11.272
871 2HD2 LEU 115 2HD2 LEU 115 10.340 4.197 11.824
872 3HD2 LEU 115 3HD2 LEU 115 10.670 2.903 12.977
873 H GLU 116 H GLU 116 12.651 8.279 12.855
874 HA GLU 116 HA GLU 116 13.607 8.416 15.616
875 1HB GLU 116 2HB GLU 116 15.649 8.124 14.323
876 2HB GLU 116 1HB GLU 116 15.181 9.416 13.227
877 1HG GLU 116 2HG GLU 116 16.827 10.298 14.684
878 2HG GLU 116 1HG GLU 116 15.285 10.992 15.173
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