Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
3414 | 1dp3 RC | 4584 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 2 1H ALA 2 -10.235 -17.673 -7.817
2 2H ALA 2 2H ALA 2 -9.225 -16.840 -6.733
3 3H ALA 2 3H ALA 2 -8.695 -18.285 -7.454
4 HA ALA 2 HA ALA 2 -9.143 -16.925 -9.662
5 1HB ALA 2 1HB ALA 2 -9.014 -15.042 -7.342
6 2HB ALA 2 2HB ALA 2 -9.958 -14.923 -8.827
7 3HB ALA 2 3HB ALA 2 -8.236 -14.544 -8.845
8 H LYS 3 H LYS 3 -7.315 -17.925 -10.472
9 HA LYS 3 HA LYS 3 -4.685 -17.137 -9.281
10 1HB LYS 3 2HB LYS 3 -5.580 -19.911 -10.133
11 2HB LYS 3 1HB LYS 3 -3.983 -19.496 -9.509
12 1HG LYS 3 2HG LYS 3 -5.315 -18.526 -7.475
13 2HG LYS 3 1HG LYS 3 -6.616 -19.564 -8.060
14 1HD LYS 3 2HD LYS 3 -4.048 -20.950 -8.012
15 2HD LYS 3 1HD LYS 3 -4.510 -20.355 -6.417
16 1HE LYS 3 2HE LYS 3 -5.639 -22.393 -6.420
17 2HE LYS 3 1HE LYS 3 -6.888 -21.367 -7.157
18 1HZ LYS 3 1HZ LYS 3 -6.528 -23.246 -8.577
19 2HZ LYS 3 2HZ LYS 3 -4.848 -22.993 -8.581
20 3HZ LYS 3 3HZ LYS 3 -5.879 -21.878 -9.342
21 H VAL 4 H VAL 4 -4.316 -15.722 -11.086
22 HA VAL 4 HA VAL 4 -4.202 -17.033 -13.777
23 HB VAL 4 HB VAL 4 -4.206 -14.101 -12.987
24 1HG1 VAL 4 1HG1 VAL 4 -4.972 -15.284 -15.653
25 2HG1 VAL 4 2HG1 VAL 4 -3.288 -14.913 -15.279
26 3HG1 VAL 4 3HG1 VAL 4 -4.496 -13.628 -15.277
27 1HG2 VAL 4 1HG2 VAL 4 -6.369 -16.103 -13.343
28 2HG2 VAL 4 2HG2 VAL 4 -6.624 -14.551 -14.140
29 3HG2 VAL 4 3HG2 VAL 4 -6.359 -14.614 -12.398
30 H GLN 5 H GLN 5 -2.078 -18.015 -13.164
31 HA GLN 5 HA GLN 5 0.287 -18.003 -13.052
32 1HB GLN 5 2HB GLN 5 -0.327 -15.607 -14.812
33 2HB GLN 5 1HB GLN 5 1.240 -16.410 -14.722
34 1HG GLN 5 2HG GLN 5 -0.335 -18.557 -15.188
35 2HG GLN 5 1HG GLN 5 -1.276 -17.315 -16.015
36 1HE2 GLN 5 1HE2 GLN 5 -0.091 -19.271 -17.609
37 2HE2 GLN 5 2HE2 GLN 5 1.220 -18.613 -18.463
38 H ALA 6 H ALA 6 2.102 -15.862 -13.044
39 HA ALA 6 HA ALA 6 3.053 -14.258 -11.589
40 1HB ALA 6 1HB ALA 6 1.608 -12.528 -11.712
41 2HB ALA 6 2HB ALA 6 0.698 -13.223 -10.370
42 3HB ALA 6 3HB ALA 6 0.279 -13.642 -12.032
43 H TYR 7 H TYR 7 4.022 -14.842 -9.688
44 HA TYR 7 HA TYR 7 2.958 -16.836 -7.917
45 1HB TYR 7 2HB TYR 7 5.362 -16.251 -8.310
46 2HB TYR 7 1HB TYR 7 5.099 -14.735 -7.448
47 HD1 TYR 7 1HD TYR 7 5.432 -18.375 -7.136
48 HD2 TYR 7 2HD TYR 7 4.616 -14.721 -5.032
49 HE1 TYR 7 1HE TYR 7 5.788 -19.540 -4.976
50 HE2 TYR 7 2HE TYR 7 4.973 -15.885 -2.871
51 HH TYR 7 HH TYR 7 5.652 -17.771 -1.892
52 H VAL 8 H VAL 8 2.061 -16.575 -5.806
53 HA VAL 8 HA VAL 8 0.538 -14.088 -5.402
54 HB VAL 8 HB VAL 8 0.763 -16.774 -4.022
55 1HG1 VAL 8 1HG1 VAL 8 -1.291 -15.943 -2.736
56 2HG1 VAL 8 2HG1 VAL 8 -0.828 -14.320 -3.249
57 3HG1 VAL 8 3HG1 VAL 8 0.262 -15.270 -2.239
58 1HG2 VAL 8 1HG2 VAL 8 -0.677 -17.257 -5.707
59 2HG2 VAL 8 2HG2 VAL 8 -0.916 -15.554 -6.098
60 3HG2 VAL 8 3HG2 VAL 8 -1.854 -16.301 -4.806
61 H SER 9 H SER 9 1.650 -12.393 -4.477
62 HA SER 9 HA SER 9 3.466 -13.018 -2.168
63 1HB SER 9 2HB SER 9 4.097 -11.944 -4.634
64 2HB SER 9 1HB SER 9 3.891 -10.504 -3.639
65 HG SER 9 HG SER 9 5.750 -12.577 -3.462
66 H ASP 10 H ASP 10 3.854 -10.518 -1.169
67 HA ASP 10 HA ASP 10 1.510 -9.948 0.327
68 1HB ASP 10 2HB ASP 10 4.121 -8.595 -0.279
69 2HB ASP 10 1HB ASP 10 2.895 -7.714 0.633
70 H GLU 11 H GLU 11 -0.092 -9.841 -1.524
71 HA GLU 11 HA GLU 11 -0.221 -8.060 -3.629
72 1HB GLU 11 2HB GLU 11 -2.005 -9.591 -3.171
73 2HB GLU 11 1HB GLU 11 -2.289 -8.887 -1.578
74 1HG GLU 11 2HG GLU 11 -3.971 -8.171 -3.302
75 2HG GLU 11 1HG GLU 11 -3.097 -6.826 -2.568
76 H ILE 12 H ILE 12 -0.333 -7.274 -0.207
77 HA ILE 12 HA ILE 12 -1.487 -4.715 -0.200
78 HB ILE 12 HB ILE 12 0.807 -5.991 1.299
79 1HG1 ILE 12 2HG1 ILE 12 -1.513 -6.851 1.619
80 2HG1 ILE 12 1HG1 ILE 12 -0.859 -6.130 3.089
81 1HG2 ILE 12 1HG2 ILE 12 -0.379 -3.229 1.598
82 2HG2 ILE 12 2HG2 ILE 12 1.323 -3.684 1.508
83 3HG2 ILE 12 3HG2 ILE 12 0.386 -4.059 2.954
84 1HD1 ILE 12 1HD1 ILE 12 -2.004 -3.949 1.912
85 2HD1 ILE 12 2HD1 ILE 12 -2.815 -4.962 3.106
86 3HD1 ILE 12 3HD1 ILE 12 -3.099 -5.227 1.385
87 H VAL 13 H VAL 13 1.512 -5.751 -1.632
88 HA VAL 13 HA VAL 13 3.131 -3.492 -1.674
89 HB VAL 13 HB VAL 13 3.597 -5.686 -2.729
90 1HG1 VAL 13 1HG1 VAL 13 1.258 -5.869 -3.712
91 2HG1 VAL 13 2HG1 VAL 13 2.568 -6.327 -4.802
92 3HG1 VAL 13 3HG1 VAL 13 1.789 -4.754 -4.972
93 1HG2 VAL 13 1HG2 VAL 13 4.401 -3.196 -3.609
94 2HG2 VAL 13 2HG2 VAL 13 3.835 -3.956 -5.097
95 3HG2 VAL 13 3HG2 VAL 13 5.099 -4.727 -4.138
96 H TYR 14 H TYR 14 0.241 -4.102 -3.674
97 HA TYR 14 HA TYR 14 0.453 -1.684 -5.241
98 1HB TYR 14 2HB TYR 14 -0.844 -3.806 -5.741
99 2HB TYR 14 1HB TYR 14 -2.011 -3.300 -4.519
100 HD1 TYR 14 1HD TYR 14 -3.949 -2.704 -5.722
101 HD2 TYR 14 2HD TYR 14 -0.118 -1.242 -7.000
102 HE1 TYR 14 1HE TYR 14 -5.063 -1.242 -7.388
103 HE2 TYR 14 2HE TYR 14 -1.231 0.220 -8.666
104 HH TYR 14 HH TYR 14 -3.462 1.276 -8.982
105 H LYS 15 H LYS 15 -0.937 -2.458 -2.098
106 HA LYS 15 HA LYS 15 -2.578 -0.098 -1.820
107 1HB LYS 15 2HB LYS 15 -1.893 -2.465 -0.402
108 2HB LYS 15 1HB LYS 15 -1.562 -1.110 0.678
109 1HG LYS 15 2HG LYS 15 -3.785 -1.187 1.130
110 2HG LYS 15 1HG LYS 15 -3.970 -0.374 -0.424
111 1HD LYS 15 2HD LYS 15 -3.726 -3.354 -0.418
112 2HD LYS 15 1HD LYS 15 -5.258 -2.645 0.097
113 1HE LYS 15 2HE LYS 15 -4.324 -1.293 -2.283
114 2HE LYS 15 1HE LYS 15 -4.396 -3.044 -2.566
115 1HZ LYS 15 1HZ LYS 15 -6.550 -1.403 -1.338
116 2HZ LYS 15 2HZ LYS 15 -6.609 -3.080 -1.600
117 3HZ LYS 15 3HZ LYS 15 -6.564 -2.011 -2.921
118 H ILE 16 H ILE 16 0.681 -0.912 -0.561
119 HA ILE 16 HA ILE 16 1.177 1.665 0.613
120 HB ILE 16 HB ILE 16 3.105 -0.419 -0.463
121 1HG1 ILE 16 2HG1 ILE 16 1.644 -0.187 2.186
122 2HG1 ILE 16 1HG1 ILE 16 1.527 -1.504 1.016
123 1HG2 ILE 16 1HG2 ILE 16 4.730 0.540 0.934
124 2HG2 ILE 16 2HG2 ILE 16 3.527 1.369 1.923
125 3HG2 ILE 16 3HG2 ILE 16 3.888 1.954 0.298
126 1HD1 ILE 16 1HD1 ILE 16 3.470 -1.110 3.133
127 2HD1 ILE 16 2HD1 ILE 16 4.271 -1.254 1.569
128 3HD1 ILE 16 3HD1 ILE 16 3.194 -2.533 2.128
129 H ASN 17 H ASN 17 1.739 0.331 -2.623
130 HA ASN 17 HA ASN 17 3.463 2.337 -3.666
131 1HB ASN 17 2HB ASN 17 1.800 0.144 -4.558
132 2HB ASN 17 1HB ASN 17 1.677 1.491 -5.689
133 1HD2 ASN 17 1HD2 ASN 17 3.380 -1.262 -5.343
134 2HD2 ASN 17 2HD2 ASN 17 4.885 -0.784 -5.967
135 H LYS 18 H LYS 18 -0.083 2.244 -3.370
136 HA LYS 18 HA LYS 18 -0.597 4.653 -4.867
137 1HB LYS 18 2HB LYS 18 -2.086 3.121 -2.716
138 2HB LYS 18 1HB LYS 18 -2.792 4.477 -3.595
139 1HG LYS 18 2HG LYS 18 -2.915 3.309 -5.584
140 2HG LYS 18 1HG LYS 18 -1.530 2.291 -5.192
141 1HD LYS 18 2HD LYS 18 -3.670 1.022 -5.134
142 2HD LYS 18 1HD LYS 18 -2.867 1.044 -3.565
143 1HE LYS 18 2HE LYS 18 -4.328 2.913 -2.842
144 2HE LYS 18 1HE LYS 18 -5.156 2.858 -4.411
145 1HZ LYS 18 1HZ LYS 18 -6.448 1.381 -3.289
146 2HZ LYS 18 2HZ LYS 18 -5.213 0.931 -2.213
147 3HZ LYS 18 3HZ LYS 18 -5.238 0.303 -3.792
148 H ILE 19 H ILE 19 0.044 4.001 -1.433
149 HA ILE 19 HA ILE 19 -0.564 6.611 -0.425
150 HB ILE 19 HB ILE 19 1.477 4.571 0.518
151 1HG1 ILE 19 2HG1 ILE 19 -0.617 3.431 0.236
152 2HG1 ILE 19 1HG1 ILE 19 -0.484 3.809 1.954
153 1HG2 ILE 19 1HG2 ILE 19 1.121 7.067 1.490
154 2HG2 ILE 19 2HG2 ILE 19 1.538 5.694 2.516
155 3HG2 ILE 19 3HG2 ILE 19 -0.140 6.222 2.388
156 1HD1 ILE 19 1HD1 ILE 19 -1.708 6.058 1.119
157 2HD1 ILE 19 2HD1 ILE 19 -2.604 4.622 1.614
158 3HD1 ILE 19 3HD1 ILE 19 -2.321 4.938 -0.098
159 H VAL 20 H VAL 20 2.660 5.180 -1.112
160 HA VAL 20 HA VAL 20 4.270 7.424 -0.769
161 HB VAL 20 HB VAL 20 4.449 5.409 -3.032
162 1HG1 VAL 20 1HG1 VAL 20 6.070 7.341 -3.012
163 2HG1 VAL 20 2HG1 VAL 20 6.837 5.760 -2.859
164 3HG1 VAL 20 3HG1 VAL 20 6.630 6.782 -1.436
165 1HG2 VAL 20 1HG2 VAL 20 4.301 4.951 -0.232
166 2HG2 VAL 20 2HG2 VAL 20 5.987 4.723 -0.697
167 3HG2 VAL 20 3HG2 VAL 20 4.720 3.788 -1.491
168 H GLU 21 H GLU 21 2.700 6.466 -3.854
169 HA GLU 21 HA GLU 21 3.449 8.681 -5.419
170 1HB GLU 21 2HB GLU 21 1.751 6.449 -5.555
171 2HB GLU 21 1HB GLU 21 0.702 7.832 -5.871
172 1HG GLU 21 2HG GLU 21 3.001 8.406 -7.331
173 2HG GLU 21 1HG GLU 21 2.785 6.671 -7.555
174 H ARG 22 H ARG 22 0.562 8.321 -3.331
175 HA ARG 22 HA ARG 22 -0.716 10.767 -3.801
176 1HB ARG 22 2HB ARG 22 -1.485 8.880 -2.357
177 2HB ARG 22 1HB ARG 22 -0.291 9.351 -1.148
178 1HG ARG 22 2HG ARG 22 -1.408 11.693 -1.270
179 2HG ARG 22 1HG ARG 22 -2.750 10.847 -2.040
180 1HD ARG 22 2HD ARG 22 -3.275 9.643 -0.113
181 2HD ARG 22 1HD ARG 22 -1.622 9.755 0.527
182 HE ARG 22 HE ARG 22 -2.637 12.398 0.290
183 1HH1 ARG 22 1HH1 ARG 22 -4.558 10.019 1.504
184 2HH1 ARG 22 2HH1 ARG 22 -4.566 10.573 3.146
185 1HH2 ARG 22 1HH2 ARG 22 -2.046 12.902 2.649
186 2HH2 ARG 22 2HH2 ARG 22 -3.145 12.206 3.793
187 H ARG 23 H ARG 23 2.266 10.143 -2.050
188 HA ARG 23 HA ARG 23 2.462 12.559 -0.545
189 1HB ARG 23 2HB ARG 23 4.604 10.864 -1.871
190 2HB ARG 23 1HB ARG 23 4.864 11.977 -0.529
191 1HG ARG 23 2HG ARG 23 3.211 9.441 -0.524
192 2HG ARG 23 1HG ARG 23 4.653 9.787 0.431
193 1HD ARG 23 2HD ARG 23 1.911 11.057 0.711
194 2HD ARG 23 1HD ARG 23 2.805 10.122 1.926
195 HE ARG 23 HE ARG 23 3.503 12.872 1.021
196 1HH1 ARG 23 1HH1 ARG 23 5.520 10.529 1.916
197 2HH1 ARG 23 2HH1 ARG 23 5.932 11.146 3.481
198 1HH2 ARG 23 1HH2 ARG 23 3.389 13.502 3.516
199 2HH2 ARG 23 2HH2 ARG 23 4.727 12.829 4.386
200 H ARG 24 H ARG 24 4.002 11.789 -3.698
201 HA ARG 24 HA ARG 24 4.796 14.517 -4.207
202 1HB ARG 24 2HB ARG 24 4.659 11.903 -5.646
203 2HB ARG 24 1HB ARG 24 4.845 13.356 -6.629
204 1HG ARG 24 2HG ARG 24 7.057 13.172 -6.183
205 2HG ARG 24 1HG ARG 24 6.647 13.782 -4.580
206 1HD ARG 24 2HD ARG 24 7.920 11.722 -4.300
207 2HD ARG 24 1HD ARG 24 6.231 11.376 -3.875
208 HE ARG 24 HE ARG 24 6.170 10.801 -6.506
209 1HH1 ARG 24 1HH1 ARG 24 9.290 10.712 -5.737
210 2HH1 ARG 24 2HH1 ARG 24 9.507 8.994 -5.778
211 1HH2 ARG 24 1HH2 ARG 24 6.108 8.303 -5.855
212 2HH2 ARG 24 2HH2 ARG 24 7.704 7.629 -5.844
213 H ALA 25 H ALA 25 2.117 12.506 -5.494
214 HA ALA 25 HA ALA 25 0.898 14.247 -7.272
215 1HB ALA 25 1HB ALA 25 -0.400 12.566 -5.098
216 2HB ALA 25 2HB ALA 25 0.117 11.978 -6.678
217 3HB ALA 25 3HB ALA 25 -1.208 13.135 -6.558
218 H GLU 26 H GLU 26 0.897 14.427 -3.739
219 HA GLU 26 HA GLU 26 -0.944 16.694 -3.661
220 1HB GLU 26 2HB GLU 26 0.638 15.008 -1.754
221 2HB GLU 26 1HB GLU 26 0.009 16.557 -1.187
222 1HG GLU 26 2HG GLU 26 -2.178 15.542 -2.476
223 2HG GLU 26 1HG GLU 26 -1.436 14.068 -1.850
224 H GLY 27 H GLY 27 2.529 16.144 -3.688
225 1HA GLY 27 2HA GLY 27 3.832 18.118 -4.592
226 2HA GLY 27 1HA GLY 27 2.942 19.097 -3.425
227 H ALA 28 H ALA 28 4.030 15.876 -2.600
228 HA ALA 28 HA ALA 28 5.268 16.549 -0.181
229 1HB ALA 28 1HB ALA 28 6.636 14.378 -0.806
230 2HB ALA 28 2HB ALA 28 5.567 14.350 -2.208
231 3HB ALA 28 3HB ALA 28 4.890 14.275 -0.582
232 H LYS 29 H LYS 29 7.746 16.276 0.218
233 HA LYS 29 HA LYS 29 9.336 17.558 -1.971
234 1HB LYS 29 2HB LYS 29 8.871 18.432 0.880
235 2HB LYS 29 1HB LYS 29 10.326 18.926 0.013
236 1HG LYS 29 2HG LYS 29 8.386 19.451 -1.849
237 2HG LYS 29 1HG LYS 29 7.534 19.810 -0.347
238 1HD LYS 29 2HD LYS 29 8.571 21.818 -0.401
239 2HD LYS 29 1HD LYS 29 10.038 20.949 0.048
240 1HE LYS 29 2HE LYS 29 9.265 21.017 -2.852
241 2HE LYS 29 1HE LYS 29 10.019 22.455 -2.134
242 1HZ LYS 29 1HZ LYS 29 11.139 19.817 -1.508
243 2HZ LYS 29 2HZ LYS 29 11.916 21.325 -1.606
244 3HZ LYS 29 3HZ LYS 29 11.488 20.493 -3.024
245 H SER 30 H SER 30 11.761 17.487 -1.315
246 HA SER 30 HA SER 30 13.648 16.208 -0.682
247 1HB SER 30 2HB SER 30 11.912 14.848 1.355
248 2HB SER 30 1HB SER 30 13.566 15.432 1.518
249 HG SER 30 HG SER 30 12.482 17.588 1.138
250 H THR 31 H THR 31 14.507 14.159 -1.232
251 HA THR 31 HA THR 31 12.668 12.355 -2.682
252 HB THR 31 HB THR 31 14.912 13.194 -3.514
253 HG1 THR 31 1HG THR 31 15.113 10.425 -3.301
254 1HG2 THR 31 1HG2 THR 31 16.259 11.117 -1.870
255 2HG2 THR 31 2HG2 THR 31 15.817 12.612 -1.043
256 3HG2 THR 31 3HG2 THR 31 16.873 12.664 -2.454
257 H ASP 32 H ASP 32 12.550 12.476 0.296
258 HA ASP 32 HA ASP 32 13.806 9.991 1.247
259 1HB ASP 32 2HB ASP 32 13.313 12.262 2.461
260 2HB ASP 32 1HB ASP 32 11.692 11.597 2.671
261 H VAL 33 H VAL 33 10.743 10.996 -0.084
262 HA VAL 33 HA VAL 33 9.066 8.925 0.984
263 HB VAL 33 HB VAL 33 9.045 10.663 -1.491
264 1HG1 VAL 33 1HG1 VAL 33 6.503 9.879 -1.386
265 2HG1 VAL 33 2HG1 VAL 33 7.225 8.431 -0.682
266 3HG1 VAL 33 3HG1 VAL 33 7.701 8.959 -2.296
267 1HG2 VAL 33 1HG2 VAL 33 7.737 12.088 -0.247
268 2HG2 VAL 33 2HG2 VAL 33 8.599 11.323 1.088
269 3HG2 VAL 33 3HG2 VAL 33 6.981 10.774 0.653
270 H SER 34 H SER 34 8.724 6.821 0.269
271 HA SER 34 HA SER 34 9.493 5.834 -2.330
272 1HB SER 34 2HB SER 34 11.502 6.048 -0.233
273 2HB SER 34 1HB SER 34 11.313 4.381 -0.765
274 HG SER 34 HG SER 34 11.689 5.051 -2.871
275 H PHE 35 H PHE 35 8.866 3.613 -2.575
276 HA PHE 35 HA PHE 35 6.701 2.607 -1.188
277 1HB PHE 35 2HB PHE 35 7.718 1.714 -3.276
278 2HB PHE 35 1HB PHE 35 9.035 1.031 -2.320
279 HD1 PHE 35 1HD PHE 35 8.808 -1.074 -1.279
280 HD2 PHE 35 2HD PHE 35 5.320 0.983 -2.715
281 HE1 PHE 35 1HE PHE 35 7.430 -3.083 -0.810
282 HE2 PHE 35 2HE PHE 35 3.943 -1.027 -2.246
283 HZ PHE 35 HZ PHE 35 4.998 -3.059 -1.294
284 H SER 36 H SER 36 9.984 1.286 -0.612
285 HA SER 36 HA SER 36 9.463 -0.117 1.748
286 1HB SER 36 2HB SER 36 11.970 0.609 2.185
287 2HB SER 36 1HB SER 36 11.575 -0.410 0.803
288 HG SER 36 HG SER 36 12.568 1.159 -0.221
289 H SER 37 H SER 37 10.241 3.346 1.390
290 HA SER 37 HA SER 37 10.440 3.981 4.170
291 1HB SER 37 2HB SER 37 9.742 5.482 1.647
292 2HB SER 37 1HB SER 37 9.774 6.298 3.207
293 HG SER 37 HG SER 37 11.827 6.470 2.686
294 H ILE 38 H ILE 38 7.664 4.534 1.957
295 HA ILE 38 HA ILE 38 5.808 5.261 4.003
296 HB ILE 38 HB ILE 38 5.610 4.160 1.196
297 1HG1 ILE 38 2HG1 ILE 38 6.455 6.485 1.603
298 2HG1 ILE 38 1HG1 ILE 38 4.955 6.450 0.676
299 1HG2 ILE 38 1HG2 ILE 38 3.155 5.060 1.476
300 2HG2 ILE 38 2HG2 ILE 38 3.436 4.737 3.187
301 3HG2 ILE 38 3HG2 ILE 38 3.548 3.427 2.012
302 1HD1 ILE 38 1HD1 ILE 38 4.732 8.152 2.383
303 2HD1 ILE 38 2HD1 ILE 38 5.253 7.026 3.636
304 3HD1 ILE 38 3HD1 ILE 38 3.700 6.793 2.832
305 H SER 39 H SER 39 7.035 2.159 3.022
306 HA SER 39 HA SER 39 4.802 0.556 3.967
307 1HB SER 39 2HB SER 39 6.363 -0.287 2.318
308 2HB SER 39 1HB SER 39 7.730 0.020 3.385
309 HG SER 39 HG SER 39 7.321 -2.064 3.749
310 H THR 40 H THR 40 8.062 1.223 5.315
311 HA THR 40 HA THR 40 7.873 -0.122 7.755
312 HB THR 40 HB THR 40 9.052 2.614 7.159
313 HG1 THR 40 1HG THR 40 10.357 1.500 5.980
314 1HG2 THR 40 1HG2 THR 40 10.692 1.872 8.965
315 2HG2 THR 40 2HG2 THR 40 9.531 0.606 9.366
316 3HG2 THR 40 3HG2 THR 40 9.076 2.302 9.526
317 H MET 41 H MET 41 6.871 3.269 7.135
318 HA MET 41 HA MET 41 5.822 3.830 9.710
319 1HB MET 41 2HB MET 41 4.531 5.565 8.435
320 2HB MET 41 1HB MET 41 6.234 5.507 7.984
321 1HG MET 41 2HG MET 41 5.789 4.414 5.949
322 2HG MET 41 1HG MET 41 4.194 3.883 6.478
323 1HE MET 41 1HE MET 41 2.099 5.290 6.594
324 2HE MET 41 2HE MET 41 2.499 4.652 5.001
325 3HE MET 41 3HE MET 41 1.865 6.288 5.152
326 H LEU 42 H LEU 42 4.438 2.048 7.003
327 HA LEU 42 HA LEU 42 1.700 2.044 7.910
328 1HB LEU 42 2HB LEU 42 3.195 1.184 5.722
329 2HB LEU 42 1HB LEU 42 2.594 -0.315 6.433
330 HG LEU 42 HG LEU 42 0.746 2.026 6.023
331 1HD1 LEU 42 1HD1 LEU 42 2.090 0.526 3.955
332 2HD1 LEU 42 2HD1 LEU 42 0.922 1.837 3.787
333 3HD1 LEU 42 3HD1 LEU 42 0.363 0.170 3.924
334 1HD2 LEU 42 1HD2 LEU 42 -0.387 -0.552 5.532
335 2HD2 LEU 42 2HD2 LEU 42 -0.725 0.545 6.871
336 3HD2 LEU 42 3HD2 LEU 42 0.560 -0.654 7.016
337 H LEU 43 H LEU 43 4.365 -0.322 8.289
338 HA LEU 43 HA LEU 43 3.002 -2.352 9.659
339 1HB LEU 43 2HB LEU 43 5.448 -2.121 8.837
340 2HB LEU 43 1HB LEU 43 5.763 -1.405 10.420
341 HG LEU 43 HG LEU 43 4.341 -3.576 11.178
342 1HD1 LEU 43 1HD1 LEU 43 6.001 -5.058 9.318
343 2HD1 LEU 43 2HD1 LEU 43 4.857 -4.038 8.446
344 3HD1 LEU 43 3HD1 LEU 43 4.271 -5.210 9.626
345 1HD2 LEU 43 1HD2 LEU 43 6.896 -2.666 11.487
346 2HD2 LEU 43 2HD2 LEU 43 7.191 -4.174 10.622
347 3HD2 LEU 43 3HD2 LEU 43 6.316 -4.193 12.153
348 H GLU 44 H GLU 44 3.986 0.814 10.854
349 HA GLU 44 HA GLU 44 3.824 0.299 13.654
350 1HB GLU 44 2HB GLU 44 4.826 2.312 13.048
351 2HB GLU 44 1HB GLU 44 3.692 2.598 11.737
352 1HG GLU 44 2HG GLU 44 2.302 3.769 13.061
353 2HG GLU 44 1HG GLU 44 2.400 2.565 14.341
354 H LEU 45 H LEU 45 1.496 0.938 11.130
355 HA LEU 45 HA LEU 45 -0.767 1.065 13.056
356 1HB LEU 45 2HB LEU 45 -0.144 1.863 10.272
357 2HB LEU 45 1HB LEU 45 -1.795 1.302 10.531
358 HG LEU 45 HG LEU 45 -1.054 3.023 12.706
359 1HD1 LEU 45 1HD1 LEU 45 -0.530 4.081 9.916
360 2HD1 LEU 45 2HD1 LEU 45 0.574 4.081 11.291
361 3HD1 LEU 45 3HD1 LEU 45 -0.843 5.130 11.299
362 1HD2 LEU 45 1HD2 LEU 45 -3.312 2.403 11.437
363 2HD2 LEU 45 2HD2 LEU 45 -2.915 3.849 10.508
364 3HD2 LEU 45 3HD2 LEU 45 -3.131 3.954 12.255
365 H GLY 46 H GLY 46 0.985 -1.315 11.515
366 1HA GLY 46 2HA GLY 46 0.501 -3.510 10.822
367 2HA GLY 46 1HA GLY 46 -0.704 -3.457 12.110
368 H LEU 47 H LEU 47 -0.594 -1.550 9.103
369 HA LEU 47 HA LEU 47 -2.289 -1.251 7.473
370 1HB LEU 47 2HB LEU 47 -1.213 -3.550 7.111
371 2HB LEU 47 1HB LEU 47 -2.635 -4.227 7.907
372 HG LEU 47 HG LEU 47 -3.985 -2.802 6.195
373 1HD1 LEU 47 1HD1 LEU 47 -1.298 -2.192 5.440
374 2HD1 LEU 47 2HD1 LEU 47 -2.793 -1.637 4.685
375 3HD1 LEU 47 3HD1 LEU 47 -2.027 -3.127 4.134
376 1HD2 LEU 47 1HD2 LEU 47 -4.104 -4.674 4.750
377 2HD2 LEU 47 2HD2 LEU 47 -3.584 -5.362 6.287
378 3HD2 LEU 47 3HD2 LEU 47 -2.408 -5.085 5.003
379 H ARG 48 H ARG 48 -3.085 -1.317 10.464
380 HA ARG 48 HA ARG 48 -5.755 -2.461 10.544
381 1HB ARG 48 2HB ARG 48 -4.072 -2.010 12.435
382 2HB ARG 48 1HB ARG 48 -4.575 -0.323 12.332
383 1HG ARG 48 2HG ARG 48 -6.091 -1.053 13.909
384 2HG ARG 48 1HG ARG 48 -7.004 -1.439 12.449
385 1HD ARG 48 2HD ARG 48 -5.114 -3.557 13.257
386 2HD ARG 48 1HD ARG 48 -6.426 -3.267 14.418
387 HE ARG 48 HE ARG 48 -7.654 -3.226 11.908
388 1HH1 ARG 48 1HH2 ARG 48 -5.182 -5.366 12.605
389 2HH1 ARG 48 2HH2 ARG 48 -6.133 -6.804 12.441
390 1HH2 ARG 48 1HH1 ARG 48 -9.145 -5.102 12.190
391 2HH2 ARG 48 2HH1 ARG 48 -8.376 -6.655 12.206
392 H VAL 49 H VAL 49 -6.188 0.511 11.920
393 HA VAL 49 HA VAL 49 -8.265 1.458 10.392
394 HB VAL 49 HB VAL 49 -7.480 3.737 11.193
395 1HG1 VAL 49 1HG1 VAL 49 -8.253 3.238 13.278
396 2HG1 VAL 49 2HG1 VAL 49 -7.060 1.962 13.521
397 3HG1 VAL 49 3HG1 VAL 49 -8.522 1.636 12.589
398 1HG2 VAL 49 1HG2 VAL 49 -5.099 3.515 11.016
399 2HG2 VAL 49 2HG2 VAL 49 -5.099 2.042 11.986
400 3HG2 VAL 49 3HG2 VAL 49 -5.453 3.597 12.742
401 H TYR 50 H TYR 50 -4.852 1.567 9.560
402 HA TYR 50 HA TYR 50 -4.834 3.528 7.523
403 1HB TYR 50 2HB TYR 50 -2.784 2.586 8.249
404 2HB TYR 50 1HB TYR 50 -3.365 0.937 8.025
405 HD1 TYR 50 1HD TYR 50 -3.058 -0.195 5.967
406 HD2 TYR 50 2HD TYR 50 -2.458 4.053 6.180
407 HE1 TYR 50 1HE TYR 50 -2.131 -0.211 3.668
408 HE2 TYR 50 2HE TYR 50 -1.531 4.037 3.879
409 HH TYR 50 HH TYR 50 -1.869 1.423 1.782
410 H GLU 51 H GLU 51 -5.808 0.097 7.394
411 HA GLU 51 HA GLU 51 -6.196 -0.032 4.565
412 1HB GLU 51 2HB GLU 51 -6.140 -1.715 6.711
413 2HB GLU 51 1HB GLU 51 -7.865 -1.675 6.364
414 1HG GLU 51 2HG GLU 51 -6.430 -1.867 3.892
415 2HG GLU 51 1HG GLU 51 -5.843 -3.120 4.985
416 H ALA 52 H ALA 52 -7.982 1.532 7.046
417 HA ALA 52 HA ALA 52 -10.641 1.296 5.916
418 1HB ALA 52 1HB ALA 52 -10.080 1.848 8.281
419 2HB ALA 52 2HB ALA 52 -11.129 3.065 7.554
420 3HB ALA 52 3HB ALA 52 -9.405 3.385 7.741
421 H GLN 53 H GLN 53 -7.942 3.544 5.485
422 HA GLN 53 HA GLN 53 -9.092 5.750 4.262
423 1HB GLN 53 2HB GLN 53 -6.603 4.137 3.701
424 2HB GLN 53 1HB GLN 53 -6.938 5.624 2.816
425 1HG GLN 53 2HG GLN 53 -7.410 6.427 5.387
426 2HG GLN 53 1HG GLN 53 -6.115 5.254 5.627
427 1HE2 GLN 53 1HE2 GLN 53 -4.500 5.583 3.414
428 2HE2 GLN 53 2HE2 GLN 53 -3.922 7.176 3.323
429 H MET 54 H MET 54 -8.695 2.509 2.895
430 HA MET 54 HA MET 54 -9.586 3.331 0.217
431 1HB MET 54 2HB MET 54 -8.820 0.782 1.631
432 2HB MET 54 1HB MET 54 -9.547 0.725 0.025
433 1HG MET 54 2HG MET 54 -7.170 0.770 -0.303
434 2HG MET 54 1HG MET 54 -7.766 2.378 -0.717
435 1HE MET 54 1HE MET 54 -5.734 3.232 -0.752
436 2HE MET 54 2HE MET 54 -4.690 3.713 0.583
437 3HE MET 54 3HE MET 54 -6.223 4.544 0.331
438 H GLU 55 H GLU 55 -11.016 2.033 3.146
439 HA GLU 55 HA GLU 55 -13.234 1.343 3.624
440 1HB GLU 55 2HB GLU 55 -13.337 3.695 1.745
441 2HB GLU 55 1HB GLU 55 -14.835 2.966 2.325
442 1HG GLU 55 2HG GLU 55 -13.105 3.247 4.568
443 2HG GLU 55 1HG GLU 55 -13.100 4.784 3.701
444 H ARG 56 H ARG 56 -15.500 1.046 2.169
445 HA ARG 56 HA ARG 56 -15.131 -1.336 0.670
446 1HB ARG 56 2HB ARG 56 -17.489 -0.921 0.016
447 2HB ARG 56 1HB ARG 56 -17.233 -0.585 1.729
448 1HG ARG 56 2HG ARG 56 -16.967 1.825 1.199
449 2HG ARG 56 1HG ARG 56 -17.289 1.472 -0.499
450 1HD ARG 56 2HD ARG 56 -19.364 0.268 1.087
451 2HD ARG 56 1HD ARG 56 -19.205 1.976 1.543
452 HE ARG 56 HE ARG 56 -19.020 1.963 -1.242
453 1HH1 ARG 56 1HH1 ARG 56 -20.957 -0.412 -0.610
454 2HH1 ARG 56 2HH1 ARG 56 -22.478 0.383 -0.842
455 1HH2 ARG 56 1HH2 ARG 56 -21.121 3.573 -0.788
456 2HH2 ARG 56 2HH2 ARG 56 -22.571 2.638 -0.943
Start of MODEL 2
1 1H ALA 2 1H ALA 2 -1.026 -21.016 -20.332
2 2H ALA 2 2H ALA 2 -2.084 -22.133 -19.608
3 3H ALA 2 3H ALA 2 -0.475 -22.570 -19.935
4 HA ALA 2 HA ALA 2 -0.005 -20.481 -18.383
5 1HB ALA 2 1HB ALA 2 -2.659 -21.669 -17.518
6 2HB ALA 2 2HB ALA 2 -2.456 -20.084 -18.266
7 3HB ALA 2 3HB ALA 2 -1.769 -20.403 -16.674
8 H LYS 3 H LYS 3 1.484 -22.539 -18.699
9 HA LYS 3 HA LYS 3 1.005 -24.765 -16.857
10 1HB LYS 3 2HB LYS 3 2.438 -24.336 -19.160
11 2HB LYS 3 1HB LYS 3 3.710 -24.289 -17.940
12 1HG LYS 3 2HG LYS 3 2.645 -26.449 -17.012
13 2HG LYS 3 1HG LYS 3 1.789 -26.534 -18.553
14 1HD LYS 3 2HD LYS 3 3.619 -27.514 -19.425
15 2HD LYS 3 1HD LYS 3 4.456 -25.972 -19.232
16 1HE LYS 3 2HE LYS 3 5.481 -26.626 -17.237
17 2HE LYS 3 1HE LYS 3 4.225 -27.824 -16.869
18 1HZ LYS 3 1HZ LYS 3 5.744 -28.129 -19.353
19 2HZ LYS 3 2HZ LYS 3 5.071 -29.320 -18.345
20 3HZ LYS 3 3HZ LYS 3 6.519 -28.548 -17.904
21 H VAL 4 H VAL 4 3.007 -25.297 -15.348
22 HA VAL 4 HA VAL 4 4.258 -24.698 -13.435
23 HB VAL 4 HB VAL 4 4.412 -22.007 -14.823
24 1HG1 VAL 4 1HG1 VAL 4 5.808 -23.357 -12.603
25 2HG1 VAL 4 2HG1 VAL 4 5.662 -21.637 -12.959
26 3HG1 VAL 4 3HG1 VAL 4 6.878 -22.608 -13.787
27 1HG2 VAL 4 1HG2 VAL 4 5.938 -24.576 -15.351
28 2HG2 VAL 4 2HG2 VAL 4 6.446 -22.995 -15.945
29 3HG2 VAL 4 3HG2 VAL 4 4.921 -23.693 -16.488
30 H GLN 5 H GLN 5 3.283 -24.328 -11.488
31 HA GLN 5 HA GLN 5 0.839 -22.871 -11.169
32 1HB GLN 5 2HB GLN 5 1.226 -23.327 -8.808
33 2HB GLN 5 1HB GLN 5 1.766 -24.725 -9.739
34 1HG GLN 5 2HG GLN 5 4.076 -23.425 -9.732
35 2HG GLN 5 1HG GLN 5 3.394 -22.670 -8.292
36 1HE2 GLN 5 1HE2 GLN 5 2.064 -24.677 -6.997
37 2HE2 GLN 5 2HE2 GLN 5 3.100 -25.975 -6.643
38 H ALA 6 H ALA 6 0.627 -20.937 -9.669
39 HA ALA 6 HA ALA 6 2.923 -19.170 -9.312
40 1HB ALA 6 1HB ALA 6 2.610 -18.892 -11.693
41 2HB ALA 6 2HB ALA 6 1.969 -17.446 -10.912
42 3HB ALA 6 3HB ALA 6 0.869 -18.697 -11.492
43 H TYR 7 H TYR 7 2.039 -19.134 -7.140
44 HA TYR 7 HA TYR 7 -0.283 -17.281 -6.859
45 1HB TYR 7 2HB TYR 7 0.029 -20.106 -5.889
46 2HB TYR 7 1HB TYR 7 -0.919 -18.970 -4.927
47 HD1 TYR 7 1HD TYR 7 -2.438 -17.358 -6.599
48 HD2 TYR 7 2HD TYR 7 -1.247 -21.423 -7.315
49 HE1 TYR 7 1HE TYR 7 -4.354 -17.646 -8.147
50 HE2 TYR 7 2HE TYR 7 -3.165 -21.711 -8.862
51 HH TYR 7 HH TYR 7 -4.775 -19.336 -10.252
52 H VAL 8 H VAL 8 2.213 -16.326 -6.484
53 HA VAL 8 HA VAL 8 2.314 -15.853 -3.574
54 HB VAL 8 HB VAL 8 3.619 -17.848 -3.680
55 1HG1 VAL 8 1HG1 VAL 8 3.830 -17.972 -6.119
56 2HG1 VAL 8 2HG1 VAL 8 5.417 -18.144 -5.371
57 3HG1 VAL 8 3HG1 VAL 8 4.953 -16.611 -6.109
58 1HG2 VAL 8 1HG2 VAL 8 4.817 -15.340 -3.112
59 2HG2 VAL 8 2HG2 VAL 8 6.031 -16.294 -3.967
60 3HG2 VAL 8 3HG2 VAL 8 5.292 -16.920 -2.491
61 H SER 9 H SER 9 2.057 -13.625 -4.003
62 HA SER 9 HA SER 9 4.439 -12.278 -5.166
63 1HB SER 9 2HB SER 9 1.637 -12.314 -6.223
64 2HB SER 9 1HB SER 9 2.564 -10.825 -6.377
65 HG SER 9 HG SER 9 3.034 -13.371 -7.473
66 H ASP 10 H ASP 10 4.944 -10.522 -3.904
67 HA ASP 10 HA ASP 10 3.537 -9.851 -1.534
68 1HB ASP 10 2HB ASP 10 5.061 -7.835 -1.635
69 2HB ASP 10 1HB ASP 10 5.891 -9.375 -1.870
70 H GLU 11 H GLU 11 1.289 -9.659 -2.500
71 HA GLU 11 HA GLU 11 0.499 -7.643 -4.335
72 1HB GLU 11 2HB GLU 11 -0.661 -9.631 -2.803
73 2HB GLU 11 1HB GLU 11 -1.333 -8.164 -2.093
74 1HG GLU 11 2HG GLU 11 -1.263 -8.254 -5.058
75 2HG GLU 11 1HG GLU 11 -2.393 -9.362 -4.278
76 H ILE 12 H ILE 12 1.029 -7.488 -0.823
77 HA ILE 12 HA ILE 12 -0.053 -4.923 -0.294
78 HB ILE 12 HB ILE 12 2.226 -6.557 0.835
79 1HG1 ILE 12 2HG1 ILE 12 -0.142 -7.321 1.113
80 2HG1 ILE 12 1HG1 ILE 12 0.640 -6.945 2.650
81 1HG2 ILE 12 1HG2 ILE 12 2.777 -4.222 1.287
82 2HG2 ILE 12 2HG2 ILE 12 2.199 -4.981 2.770
83 3HG2 ILE 12 3HG2 ILE 12 1.135 -3.917 1.852
84 1HD1 ILE 12 1HD1 ILE 12 -1.744 -5.803 1.558
85 2HD1 ILE 12 2HD1 ILE 12 -0.519 -4.536 1.646
86 3HD1 ILE 12 3HD1 ILE 12 -0.964 -5.435 3.097
87 H VAL 13 H VAL 13 3.254 -5.824 -1.329
88 HA VAL 13 HA VAL 13 4.596 -3.412 -1.277
89 HB VAL 13 HB VAL 13 4.466 -5.609 -3.353
90 1HG1 VAL 13 1HG1 VAL 13 6.744 -4.650 -4.056
91 2HG1 VAL 13 2HG1 VAL 13 6.252 -3.175 -3.224
92 3HG1 VAL 13 3HG1 VAL 13 5.315 -3.767 -4.595
93 1HG2 VAL 13 1HG2 VAL 13 6.354 -6.482 -2.234
94 2HG2 VAL 13 2HG2 VAL 13 5.333 -5.900 -0.918
95 3HG2 VAL 13 3HG2 VAL 13 6.714 -4.942 -1.453
96 H TYR 14 H TYR 14 2.512 -4.485 -3.999
97 HA TYR 14 HA TYR 14 2.637 -1.932 -5.362
98 1HB TYR 14 2HB TYR 14 2.128 -4.336 -6.208
99 2HB TYR 14 1HB TYR 14 0.484 -4.026 -5.653
100 HD1 TYR 14 1HD TYR 14 3.133 -2.947 -8.003
101 HD2 TYR 14 2HD TYR 14 -0.958 -2.455 -6.788
102 HE1 TYR 14 1HE TYR 14 2.673 -1.660 -10.072
103 HE2 TYR 14 2HE TYR 14 -1.417 -1.168 -8.859
104 HH TYR 14 HH TYR 14 -0.074 -1.207 -11.381
105 H LYS 15 H LYS 15 0.586 -3.283 -2.858
106 HA LYS 15 HA LYS 15 -1.636 -1.449 -3.179
107 1HB LYS 15 2HB LYS 15 -1.596 -3.702 -2.021
108 2HB LYS 15 1HB LYS 15 -0.689 -2.942 -0.713
109 1HG LYS 15 2HG LYS 15 -2.890 -1.246 -1.204
110 2HG LYS 15 1HG LYS 15 -3.535 -2.887 -1.211
111 1HD LYS 15 2HD LYS 15 -1.667 -2.734 0.928
112 2HD LYS 15 1HD LYS 15 -2.706 -1.314 1.040
113 1HE LYS 15 2HE LYS 15 -3.895 -4.052 0.576
114 2HE LYS 15 1HE LYS 15 -3.537 -3.471 2.215
115 1HZ LYS 15 1HZ LYS 15 -5.773 -2.825 1.542
116 2HZ LYS 15 2HZ LYS 15 -5.151 -2.029 0.177
117 3HZ LYS 15 3HZ LYS 15 -4.790 -1.457 1.734
118 H ILE 16 H ILE 16 1.389 -1.396 -1.332
119 HA ILE 16 HA ILE 16 0.719 0.941 0.255
120 HB ILE 16 HB ILE 16 3.394 -0.263 -0.529
121 1HG1 ILE 16 2HG1 ILE 16 1.699 -1.852 0.497
122 2HG1 ILE 16 1HG1 ILE 16 3.186 -1.657 1.425
123 1HG2 ILE 16 1HG2 ILE 16 2.499 1.597 1.682
124 2HG2 ILE 16 2HG2 ILE 16 3.755 1.875 0.476
125 3HG2 ILE 16 3HG2 ILE 16 4.010 0.694 1.760
126 1HD1 ILE 16 1HD1 ILE 16 1.154 -1.540 2.862
127 2HD1 ILE 16 2HD1 ILE 16 0.616 -0.132 1.945
128 3HD1 ILE 16 3HD1 ILE 16 2.094 -0.049 2.905
129 H ASN 17 H ASN 17 2.663 0.427 -2.707
130 HA ASN 17 HA ASN 17 3.685 2.963 -3.179
131 1HB ASN 17 2HB ASN 17 2.403 0.928 -5.021
132 2HB ASN 17 1HB ASN 17 3.282 2.333 -5.625
133 1HD2 ASN 17 1HD2 ASN 17 5.330 1.627 -6.253
134 2HD2 ASN 17 2HD2 ASN 17 6.317 0.582 -5.349
135 H LYS 18 H LYS 18 0.323 1.915 -3.477
136 HA LYS 18 HA LYS 18 -0.703 4.160 -4.927
137 1HB LYS 18 2HB LYS 18 -1.738 2.039 -3.079
138 2HB LYS 18 1HB LYS 18 -2.810 3.375 -3.501
139 1HG LYS 18 2HG LYS 18 -3.029 2.686 -5.663
140 2HG LYS 18 1HG LYS 18 -1.342 2.182 -5.776
141 1HD LYS 18 2HD LYS 18 -1.772 0.066 -4.944
142 2HD LYS 18 1HD LYS 18 -3.167 0.604 -4.009
143 1HE LYS 18 2HE LYS 18 -3.973 -0.731 -5.889
144 2HE LYS 18 1HE LYS 18 -4.385 0.966 -6.207
145 1HZ LYS 18 1HZ LYS 18 -2.327 1.196 -7.459
146 2HZ LYS 18 2HZ LYS 18 -3.296 -0.029 -8.128
147 3HZ LYS 18 3HZ LYS 18 -1.947 -0.433 -7.176
148 H ILE 19 H ILE 19 -0.727 3.525 -1.394
149 HA ILE 19 HA ILE 19 -1.767 6.049 -0.597
150 HB ILE 19 HB ILE 19 0.061 4.015 0.708
151 1HG1 ILE 19 2HG1 ILE 19 -2.460 4.152 1.949
152 2HG1 ILE 19 1HG1 ILE 19 -2.792 4.254 0.219
153 1HG2 ILE 19 1HG2 ILE 19 0.431 6.119 1.852
154 2HG2 ILE 19 2HG2 ILE 19 -0.629 5.132 2.858
155 3HG2 ILE 19 3HG2 ILE 19 -1.300 6.451 1.896
156 1HD1 ILE 19 1HD1 ILE 19 -1.041 2.144 1.516
157 2HD1 ILE 19 2HD1 ILE 19 -1.489 2.227 -0.188
158 3HD1 ILE 19 3HD1 ILE 19 -2.719 1.899 1.032
159 H VAL 20 H VAL 20 1.583 4.986 -1.178
160 HA VAL 20 HA VAL 20 2.841 7.411 -0.239
161 HB VAL 20 HB VAL 20 3.790 5.378 -2.283
162 1HG1 VAL 20 1HG1 VAL 20 5.781 6.324 -0.441
163 2HG1 VAL 20 2HG1 VAL 20 4.975 7.711 -1.171
164 3HG1 VAL 20 3HG1 VAL 20 5.740 6.496 -2.195
165 1HG2 VAL 20 1HG2 VAL 20 3.195 5.139 0.572
166 2HG2 VAL 20 2HG2 VAL 20 4.867 4.729 0.196
167 3HG2 VAL 20 3HG2 VAL 20 3.549 3.876 -0.608
168 H GLU 21 H GLU 21 2.453 6.205 -3.601
169 HA GLU 21 HA GLU 21 3.251 8.424 -5.045
170 1HB GLU 21 2HB GLU 21 1.179 6.296 -5.358
171 2HB GLU 21 1HB GLU 21 1.153 7.625 -6.519
172 1HG GLU 21 2HG GLU 21 3.004 6.865 -7.565
173 2HG GLU 21 1HG GLU 21 3.861 6.650 -6.038
174 H ARG 22 H ARG 22 0.244 8.045 -3.227
175 HA ARG 22 HA ARG 22 -1.319 10.146 -4.232
176 1HB ARG 22 2HB ARG 22 -1.812 8.426 -2.421
177 2HB ARG 22 1HB ARG 22 -0.919 9.461 -1.306
178 1HG ARG 22 2HG ARG 22 -2.672 10.857 -1.086
179 2HG ARG 22 1HG ARG 22 -2.837 11.011 -2.835
180 1HD ARG 22 2HD ARG 22 -4.382 9.272 -2.980
181 2HD ARG 22 1HD ARG 22 -3.777 8.479 -1.511
182 HE ARG 22 HE ARG 22 -5.125 9.943 -0.218
183 1HH1 ARG 22 1HH2 ARG 22 -6.624 9.990 -2.999
184 2HH1 ARG 22 2HH2 ARG 22 -7.021 11.674 -3.068
185 1HH2 ARG 22 1HH1 ARG 22 -4.861 12.562 -0.505
186 2HH2 ARG 22 2HH1 ARG 22 -6.023 13.131 -1.657
187 H ARG 23 H ARG 23 1.401 10.303 -1.936
188 HA ARG 23 HA ARG 23 1.217 12.994 -1.121
189 1HB ARG 23 2HB ARG 23 3.178 10.847 -1.270
190 2HB ARG 23 1HB ARG 23 3.939 12.421 -1.512
191 1HG ARG 23 2HG ARG 23 2.087 11.729 0.788
192 2HG ARG 23 1HG ARG 23 3.846 11.791 0.891
193 1HD ARG 23 2HD ARG 23 3.856 14.166 0.364
194 2HD ARG 23 1HD ARG 23 2.108 14.141 0.056
195 HE ARG 23 HE ARG 23 3.351 14.184 2.680
196 1HH1 ARG 23 1HH2 ARG 23 0.669 15.339 2.144
197 2HH1 ARG 23 2HH2 ARG 23 -0.392 14.202 2.907
198 1HH2 ARG 23 1HH1 ARG 23 2.000 11.699 3.101
199 2HH2 ARG 23 2HH1 ARG 23 0.362 12.141 3.449
200 H ARG 24 H ARG 24 3.551 11.942 -3.624
201 HA ARG 24 HA ARG 24 3.929 14.515 -4.759
202 1HB ARG 24 2HB ARG 24 4.847 13.188 -6.667
203 2HB ARG 24 1HB ARG 24 5.409 12.589 -5.107
204 1HG ARG 24 2HG ARG 24 3.357 10.999 -5.229
205 2HG ARG 24 1HG ARG 24 3.342 11.397 -6.946
206 1HD ARG 24 2HD ARG 24 6.040 10.847 -6.356
207 2HD ARG 24 1HD ARG 24 5.107 9.583 -5.529
208 HE ARG 24 HE ARG 24 4.068 9.019 -7.673
209 1HH1 ARG 24 1HH1 ARG 24 5.128 12.013 -8.408
210 2HH1 ARG 24 2HH1 ARG 24 6.042 11.587 -9.817
211 1HH2 ARG 24 1HH2 ARG 24 5.872 8.175 -9.219
212 2HH2 ARG 24 2HH2 ARG 24 6.464 9.414 -10.275
213 H ALA 25 H ALA 25 1.709 11.889 -5.774
214 HA ALA 25 HA ALA 25 0.578 12.971 -8.069
215 1HB ALA 25 1HB ALA 25 -0.363 11.332 -5.759
216 2HB ALA 25 2HB ALA 25 -0.323 10.927 -7.475
217 3HB ALA 25 3HB ALA 25 -1.605 11.961 -6.843
218 H GLU 26 H GLU 26 -0.020 13.908 -4.704
219 HA GLU 26 HA GLU 26 -2.073 15.856 -5.394
220 1HB GLU 26 2HB GLU 26 -0.613 14.885 -2.966
221 2HB GLU 26 1HB GLU 26 -1.475 16.419 -2.866
222 1HG GLU 26 2HG GLU 26 -2.746 13.864 -3.876
223 2HG GLU 26 1HG GLU 26 -2.849 14.402 -2.200
224 H GLY 27 H GLY 27 1.410 15.845 -4.824
225 1HA GLY 27 2HA GLY 27 2.510 17.792 -6.104
226 2HA GLY 27 1HA GLY 27 1.430 18.816 -5.157
227 H ALA 28 H ALA 28 3.047 15.929 -3.917
228 HA ALA 28 HA ALA 28 4.132 17.435 -1.665
229 1HB ALA 28 1HB ALA 28 5.171 15.081 -1.278
230 2HB ALA 28 2HB ALA 28 4.217 14.593 -2.679
231 3HB ALA 28 3HB ALA 28 3.412 15.220 -1.240
232 H LYS 29 H LYS 29 6.637 16.476 -1.235
233 HA LYS 29 HA LYS 29 8.410 16.436 -3.491
234 1HB LYS 29 2HB LYS 29 9.273 18.835 -3.059
235 2HB LYS 29 1HB LYS 29 7.739 18.678 -3.916
236 1HG LYS 29 2HG LYS 29 6.697 19.849 -2.305
237 2HG LYS 29 1HG LYS 29 7.210 18.671 -1.098
238 1HD LYS 29 2HD LYS 29 8.730 20.107 -0.266
239 2HD LYS 29 1HD LYS 29 9.449 20.325 -1.862
240 1HE LYS 29 2HE LYS 29 8.043 22.153 -2.382
241 2HE LYS 29 1HE LYS 29 6.877 21.728 -1.113
242 1HZ LYS 29 1HZ LYS 29 8.683 23.561 -0.692
243 2HZ LYS 29 2HZ LYS 29 9.667 22.218 -0.353
244 3HZ LYS 29 3HZ LYS 29 8.244 22.480 0.538
245 H SER 30 H SER 30 7.913 17.270 -0.087
246 HA SER 30 HA SER 30 10.587 17.302 0.832
247 1HB SER 30 2HB SER 30 8.071 16.220 2.141
248 2HB SER 30 1HB SER 30 9.535 16.698 2.995
249 HG SER 30 HG SER 30 7.729 18.291 2.746
250 H THR 31 H THR 31 11.950 15.614 1.639
251 HA THR 31 HA THR 31 11.627 13.020 0.310
252 HB THR 31 HB THR 31 13.681 14.143 2.246
253 HG1 THR 31 1HG THR 31 13.351 14.167 -0.540
254 1HG2 THR 31 1HG2 THR 31 13.664 11.676 0.496
255 2HG2 THR 31 2HG2 THR 31 13.832 11.744 2.251
256 3HG2 THR 31 3HG2 THR 31 15.128 12.346 1.217
257 H ASP 32 H ASP 32 10.083 14.163 2.906
258 HA ASP 32 HA ASP 32 10.631 12.120 4.914
259 1HB ASP 32 2HB ASP 32 8.968 14.506 4.507
260 2HB ASP 32 1HB ASP 32 8.158 13.254 5.448
261 H VAL 33 H VAL 33 9.207 11.872 1.943
262 HA VAL 33 HA VAL 33 7.293 9.757 2.880
263 HB VAL 33 HB VAL 33 7.209 11.759 0.612
264 1HG1 VAL 33 1HG1 VAL 33 6.485 9.740 -0.427
265 2HG1 VAL 33 2HG1 VAL 33 5.004 10.564 0.057
266 3HG1 VAL 33 3HG1 VAL 33 5.618 9.219 1.017
267 1HG2 VAL 33 1HG2 VAL 33 4.901 11.198 2.398
268 2HG2 VAL 33 2HG2 VAL 33 5.506 12.740 1.791
269 3HG2 VAL 33 3HG2 VAL 33 6.298 11.960 3.158
270 H SER 34 H SER 34 7.290 7.801 1.654
271 HA SER 34 HA SER 34 8.720 7.357 -0.776
272 1HB SER 34 2HB SER 34 10.295 7.656 1.619
273 2HB SER 34 1HB SER 34 10.469 6.012 1.013
274 HG SER 34 HG SER 34 10.629 7.334 -1.120
275 H PHE 35 H PHE 35 8.592 5.127 -1.407
276 HA PHE 35 HA PHE 35 6.457 3.572 -0.524
277 1HB PHE 35 2HB PHE 35 7.616 3.109 -2.574
278 2HB PHE 35 1HB PHE 35 9.141 2.850 -1.728
279 HD1 PHE 35 1HD PHE 35 5.611 1.589 -1.418
280 HD2 PHE 35 2HD PHE 35 9.795 0.628 -1.588
281 HE1 PHE 35 1HE PHE 35 5.069 -0.819 -1.171
282 HE2 PHE 35 2HE PHE 35 9.252 -1.779 -1.341
283 HZ PHE 35 HZ PHE 35 6.889 -2.502 -1.132
284 H SER 36 H SER 36 9.883 2.953 0.366
285 HA SER 36 HA SER 36 9.372 0.984 2.343
286 1HB SER 36 2HB SER 36 11.537 2.172 1.178
287 2HB SER 36 1HB SER 36 11.612 2.871 2.793
288 HG SER 36 HG SER 36 12.363 0.464 2.033
289 H SER 37 H SER 37 9.334 4.519 2.544
290 HA SER 37 HA SER 37 9.263 4.721 5.418
291 1HB SER 37 2HB SER 37 9.650 6.439 3.438
292 2HB SER 37 1HB SER 37 7.907 6.663 3.572
293 HG SER 37 HG SER 37 9.954 7.243 5.389
294 H ILE 38 H ILE 38 6.621 5.021 3.006
295 HA ILE 38 HA ILE 38 4.490 5.075 4.916
296 HB ILE 38 HB ILE 38 4.696 4.280 2.000
297 1HG1 ILE 38 2HG1 ILE 38 5.236 6.659 2.791
298 2HG1 ILE 38 1HG1 ILE 38 3.992 6.518 1.549
299 1HG2 ILE 38 1HG2 ILE 38 2.380 4.336 3.876
300 2HG2 ILE 38 2HG2 ILE 38 2.654 3.322 2.459
301 3HG2 ILE 38 3HG2 ILE 38 2.120 4.991 2.260
302 1HD1 ILE 38 1HD1 ILE 38 2.943 6.323 4.289
303 2HD1 ILE 38 2HD1 ILE 38 2.367 7.288 2.930
304 3HD1 ILE 38 3HD1 ILE 38 3.694 7.878 3.929
305 H SER 39 H SER 39 5.710 2.375 2.890
306 HA SER 39 HA SER 39 4.004 0.337 3.839
307 1HB SER 39 2HB SER 39 5.456 -1.027 2.659
308 2HB SER 39 1HB SER 39 5.958 0.537 2.021
309 HG SER 39 HG SER 39 7.795 -0.457 2.707
310 H THR 40 H THR 40 7.299 1.125 5.028
311 HA THR 40 HA THR 40 7.504 -0.693 7.132
312 HB THR 40 HB THR 40 8.388 2.176 6.785
313 HG1 THR 40 1HG THR 40 9.587 0.983 5.503
314 1HG2 THR 40 1HG2 THR 40 9.214 0.241 8.967
315 2HG2 THR 40 2HG2 THR 40 8.234 1.687 9.204
316 3HG2 THR 40 3HG2 THR 40 9.912 1.835 8.683
317 H MET 41 H MET 41 6.232 2.654 7.458
318 HA MET 41 HA MET 41 5.307 2.295 10.152
319 1HB MET 41 2HB MET 41 4.210 4.438 9.739
320 2HB MET 41 1HB MET 41 5.800 4.448 8.977
321 1HG MET 41 2HG MET 41 4.933 4.414 6.847
322 2HG MET 41 1HG MET 41 3.515 3.483 7.324
323 1HE MET 41 1HE MET 41 1.265 5.601 6.306
324 2HE MET 41 2HE MET 41 0.879 5.290 7.995
325 3HE MET 41 3HE MET 41 1.714 4.060 7.052
326 H LEU 42 H LEU 42 3.923 1.462 7.057
327 HA LEU 42 HA LEU 42 1.156 1.356 7.843
328 1HB LEU 42 2HB LEU 42 2.757 0.956 5.563
329 2HB LEU 42 1HB LEU 42 1.921 -0.577 5.824
330 HG LEU 42 HG LEU 42 0.190 1.760 6.206
331 1HD1 LEU 42 1HD1 LEU 42 0.441 1.377 3.355
332 2HD1 LEU 42 2HD1 LEU 42 1.991 1.881 4.030
333 3HD1 LEU 42 3HD1 LEU 42 0.554 2.871 4.282
334 1HD2 LEU 42 1HD2 LEU 42 -1.371 0.271 5.476
335 2HD2 LEU 42 2HD2 LEU 42 -0.095 -0.925 5.706
336 3HD2 LEU 42 3HD2 LEU 42 -0.381 -0.236 4.108
337 H LEU 43 H LEU 43 3.579 -1.273 7.482
338 HA LEU 43 HA LEU 43 1.900 -3.336 8.538
339 1HB LEU 43 2HB LEU 43 3.946 -3.666 7.186
340 2HB LEU 43 1HB LEU 43 4.920 -3.048 8.524
341 HG LEU 43 HG LEU 43 3.306 -5.001 9.695
342 1HD1 LEU 43 1HD1 LEU 43 3.555 -5.528 6.878
343 2HD1 LEU 43 2HD1 LEU 43 2.759 -6.506 8.113
344 3HD1 LEU 43 3HD1 LEU 43 4.474 -6.741 7.770
345 1HD2 LEU 43 1HD2 LEU 43 5.444 -6.241 9.889
346 2HD2 LEU 43 2HD2 LEU 43 5.673 -4.522 10.206
347 3HD2 LEU 43 3HD2 LEU 43 6.152 -5.203 8.652
348 H GLU 44 H GLU 44 4.371 -1.280 10.123
349 HA GLU 44 HA GLU 44 4.265 -2.460 12.705
350 1HB GLU 44 2HB GLU 44 4.905 0.239 11.543
351 2HB GLU 44 1HB GLU 44 4.843 0.061 13.297
352 1HG GLU 44 2HG GLU 44 7.111 -0.363 12.698
353 2HG GLU 44 1HG GLU 44 6.399 -1.949 13.003
354 H LEU 45 H LEU 45 2.012 -0.488 10.982
355 HA LEU 45 HA LEU 45 0.436 0.113 13.437
356 1HB LEU 45 2HB LEU 45 0.941 1.277 10.813
357 2HB LEU 45 1HB LEU 45 -0.786 1.182 11.154
358 HG LEU 45 HG LEU 45 0.683 2.066 13.495
359 1HD1 LEU 45 1HD1 LEU 45 2.206 3.420 12.523
360 2HD1 LEU 45 2HD1 LEU 45 0.848 4.399 11.968
361 3HD1 LEU 45 3HD1 LEU 45 1.520 3.149 10.922
362 1HD2 LEU 45 1HD2 LEU 45 -1.771 2.552 12.060
363 2HD2 LEU 45 2HD2 LEU 45 -0.996 4.092 12.433
364 3HD2 LEU 45 3HD2 LEU 45 -1.376 2.959 13.730
365 H GLY 46 H GLY 46 0.644 -2.239 11.001
366 1HA GLY 46 2HA GLY 46 -0.785 -4.030 10.475
367 2HA GLY 46 1HA GLY 46 -1.803 -3.527 11.826
368 H LEU 47 H LEU 47 -0.926 -1.416 9.144
369 HA LEU 47 HA LEU 47 -2.238 -0.544 7.370
370 1HB LEU 47 2HB LEU 47 -3.144 -3.152 7.825
371 2HB LEU 47 1HB LEU 47 -4.610 -2.171 7.839
372 HG LEU 47 HG LEU 47 -3.164 -1.130 5.708
373 1HD1 LEU 47 1HD1 LEU 47 -1.969 -3.561 6.232
374 2HD1 LEU 47 2HD1 LEU 47 -1.963 -2.749 4.668
375 3HD1 LEU 47 3HD1 LEU 47 -3.169 -3.986 5.014
376 1HD2 LEU 47 1HD2 LEU 47 -5.440 -3.084 5.978
377 2HD2 LEU 47 2HD2 LEU 47 -4.857 -2.619 4.380
378 3HD2 LEU 47 3HD2 LEU 47 -5.487 -1.393 5.480
379 H ARG 48 H ARG 48 -3.031 -0.512 10.632
380 HA ARG 48 HA ARG 48 -5.597 0.850 10.521
381 1HB ARG 48 2HB ARG 48 -3.794 -0.276 12.424
382 2HB ARG 48 1HB ARG 48 -4.104 1.391 12.910
383 1HG ARG 48 2HG ARG 48 -6.540 0.982 12.730
384 2HG ARG 48 1HG ARG 48 -6.216 -0.694 12.288
385 1HD ARG 48 2HD ARG 48 -5.210 -1.146 14.446
386 2HD ARG 48 1HD ARG 48 -5.282 0.572 14.888
387 HE ARG 48 HE ARG 48 -7.774 -0.970 14.278
388 1HH1 ARG 48 1HH2 ARG 48 -6.771 -1.042 17.127
389 2HH1 ARG 48 2HH2 ARG 48 -7.640 0.279 17.837
390 1HH2 ARG 48 1HH1 ARG 48 -8.517 1.685 14.791
391 2HH2 ARG 48 2HH1 ARG 48 -8.629 1.821 16.515
392 H VAL 49 H VAL 49 -2.621 1.854 9.486
393 HA VAL 49 HA VAL 49 -2.182 4.409 10.605
394 HB VAL 49 HB VAL 49 -1.138 4.802 8.294
395 1HG1 VAL 49 1HG1 VAL 49 0.650 3.797 9.218
396 2HG1 VAL 49 2HG1 VAL 49 -0.065 2.203 8.965
397 3HG1 VAL 49 3HG1 VAL 49 -0.432 3.111 10.429
398 1HG2 VAL 49 1HG2 VAL 49 -1.787 1.902 7.813
399 2HG2 VAL 49 2HG2 VAL 49 -1.275 3.128 6.655
400 3HG2 VAL 49 3HG2 VAL 49 -2.918 3.152 7.295
401 H TYR 50 H TYR 50 -2.763 5.100 7.365
402 HA TYR 50 HA TYR 50 -4.458 7.239 7.624
403 1HB TYR 50 2HB TYR 50 -5.271 6.502 5.285
404 2HB TYR 50 1HB TYR 50 -3.531 6.693 5.503
405 HD1 TYR 50 1HD TYR 50 -6.282 4.174 5.502
406 HD2 TYR 50 2HD TYR 50 -2.051 4.863 5.226
407 HE1 TYR 50 1HE TYR 50 -5.936 1.801 4.870
408 HE2 TYR 50 2HE TYR 50 -1.706 2.490 4.593
409 HH TYR 50 HH TYR 50 -4.444 0.213 4.439
410 H GLU 51 H GLU 51 -5.377 3.843 7.856
411 HA GLU 51 HA GLU 51 -8.192 4.111 7.554
412 1HB GLU 51 2HB GLU 51 -6.347 2.137 7.864
413 2HB GLU 51 1HB GLU 51 -7.075 2.145 9.467
414 1HG GLU 51 2HG GLU 51 -9.136 2.368 7.472
415 2HG GLU 51 1HG GLU 51 -8.116 0.974 7.116
416 H ALA 52 H ALA 52 -6.026 4.658 10.289
417 HA ALA 52 HA ALA 52 -8.109 4.797 12.310
418 1HB ALA 52 1HB ALA 52 -5.250 5.810 12.154
419 2HB ALA 52 2HB ALA 52 -5.776 4.263 12.817
420 3HB ALA 52 3HB ALA 52 -6.209 5.766 13.634
421 H GLN 53 H GLN 53 -6.460 7.153 10.230
422 HA GLN 53 HA GLN 53 -7.376 9.543 11.469
423 1HB GLN 53 2HB GLN 53 -6.828 8.924 8.548
424 2HB GLN 53 1HB GLN 53 -6.797 10.525 9.288
425 1HG GLN 53 2HG GLN 53 -5.107 8.429 10.559
426 2HG GLN 53 1HG GLN 53 -4.573 9.040 8.992
427 1HE2 GLN 53 1HE2 GLN 53 -3.009 10.616 9.402
428 2HE2 GLN 53 2HE2 GLN 53 -3.157 11.852 10.557
429 H MET 54 H MET 54 -8.700 7.971 8.520
430 HA MET 54 HA MET 54 -11.066 9.566 8.389
431 1HB MET 54 2HB MET 54 -11.766 7.871 6.784
432 2HB MET 54 1HB MET 54 -10.032 8.142 6.595
433 1HG MET 54 2HG MET 54 -9.734 6.191 8.259
434 2HG MET 54 1HG MET 54 -11.428 5.825 7.931
435 1HE MET 54 1HE MET 54 -12.139 6.523 5.497
436 2HE MET 54 2HE MET 54 -11.544 5.587 4.128
437 3HE MET 54 3HE MET 54 -10.821 7.150 4.497
438 H GLU 55 H GLU 55 -10.394 6.467 9.995
439 HA GLU 55 HA GLU 55 -11.797 5.123 11.369
440 1HB GLU 55 2HB GLU 55 -12.367 6.382 13.335
441 2HB GLU 55 1HB GLU 55 -10.911 7.120 12.674
442 1HG GLU 55 2HG GLU 55 -12.141 8.934 11.725
443 2HG GLU 55 1HG GLU 55 -13.682 8.119 11.989
444 H ARG 56 H ARG 56 -14.236 5.786 12.620
445 HA ARG 56 HA ARG 56 -16.090 5.496 10.344
446 1HB ARG 56 2HB ARG 56 -15.862 4.558 12.978
447 2HB ARG 56 1HB ARG 56 -17.254 5.644 13.008
448 1HG ARG 56 2HG ARG 56 -17.810 4.351 10.728
449 2HG ARG 56 1HG ARG 56 -16.881 3.083 11.529
450 1HD ARG 56 2HD ARG 56 -18.647 4.198 13.478
451 2HD ARG 56 1HD ARG 56 -19.599 3.836 12.024
452 HE ARG 56 HE ARG 56 -18.441 1.859 13.749
453 1HH1 ARG 56 1HH2 ARG 56 -19.415 2.626 10.554
454 2HH1 ARG 56 2HH2 ARG 56 -19.135 1.034 9.934
455 1HH2 ARG 56 1HH1 ARG 56 -17.833 -0.184 12.907
456 2HH2 ARG 56 2HH1 ARG 56 -18.240 -0.557 11.266
Start of MODEL 3
1 1H ALA 2 1H ALA 2 -4.639 -30.703 3.406
2 2H ALA 2 2H ALA 2 -5.160 -30.974 5.000
3 3H ALA 2 3H ALA 2 -3.742 -31.716 4.430
4 HA ALA 2 HA ALA 2 -3.640 -29.550 5.911
5 1HB ALA 2 1HB ALA 2 -1.777 -30.899 5.084
6 2HB ALA 2 2HB ALA 2 -1.441 -29.199 4.756
7 3HB ALA 2 3HB ALA 2 -1.997 -30.254 3.458
8 H LYS 3 H LYS 3 -3.022 -28.982 2.445
9 HA LYS 3 HA LYS 3 -5.024 -26.892 2.184
10 1HB LYS 3 2HB LYS 3 -3.291 -25.042 2.097
11 2HB LYS 3 1HB LYS 3 -3.534 -25.738 3.701
12 1HG LYS 3 2HG LYS 3 -1.578 -27.363 2.560
13 2HG LYS 3 1HG LYS 3 -1.141 -25.738 2.033
14 1HD LYS 3 2HD LYS 3 -1.414 -24.989 4.438
15 2HD LYS 3 1HD LYS 3 -1.563 -26.692 4.874
16 1HE LYS 3 2HE LYS 3 0.814 -25.483 3.411
17 2HE LYS 3 1HE LYS 3 0.781 -25.908 5.134
18 1HZ LYS 3 1HZ LYS 3 0.134 -28.174 4.490
19 2HZ LYS 3 2HZ LYS 3 1.660 -27.752 3.873
20 3HZ LYS 3 3HZ LYS 3 0.300 -27.756 2.856
21 H VAL 4 H VAL 4 -4.061 -25.372 0.187
22 HA VAL 4 HA VAL 4 -3.429 -27.359 -1.944
23 HB VAL 4 HB VAL 4 -4.529 -24.535 -1.886
24 1HG1 VAL 4 1HG1 VAL 4 -4.923 -25.026 -4.384
25 2HG1 VAL 4 2HG1 VAL 4 -3.710 -26.294 -4.202
26 3HG1 VAL 4 3HG1 VAL 4 -3.278 -24.611 -3.903
27 1HG2 VAL 4 1HG2 VAL 4 -5.795 -27.088 -2.908
28 2HG2 VAL 4 2HG2 VAL 4 -6.589 -25.555 -2.549
29 3HG2 VAL 4 3HG2 VAL 4 -5.965 -26.553 -1.236
30 H GLN 5 H GLN 5 -1.661 -25.489 0.062
31 HA GLN 5 HA GLN 5 0.518 -24.585 -0.068
32 1HB GLN 5 2HB GLN 5 0.548 -25.976 -2.760
33 2HB GLN 5 1HB GLN 5 1.924 -25.654 -1.703
34 1HG GLN 5 2HG GLN 5 0.885 -27.139 0.023
35 2HG GLN 5 1HG GLN 5 -0.382 -27.539 -1.137
36 1HE2 GLN 5 1HE2 GLN 5 1.951 -29.190 0.082
37 2HE2 GLN 5 2HE2 GLN 5 2.693 -29.887 -1.277
38 H ALA 6 H ALA 6 1.711 -22.856 -1.159
39 HA ALA 6 HA ALA 6 1.795 -20.810 -2.344
40 1HB ALA 6 1HB ALA 6 1.231 -21.058 -4.689
41 2HB ALA 6 2HB ALA 6 0.162 -22.412 -4.333
42 3HB ALA 6 3HB ALA 6 1.905 -22.590 -4.136
43 H TYR 7 H TYR 7 0.386 -19.665 -0.848
44 HA TYR 7 HA TYR 7 -2.136 -18.783 -2.079
45 1HB TYR 7 2HB TYR 7 -2.781 -20.866 -0.968
46 2HB TYR 7 1HB TYR 7 -2.033 -20.324 0.534
47 HD1 TYR 7 1HD TYR 7 -3.602 -19.693 2.132
48 HD2 TYR 7 2HD TYR 7 -4.323 -18.756 -1.998
49 HE1 TYR 7 1HE TYR 7 -5.702 -18.535 2.762
50 HE2 TYR 7 2HE TYR 7 -6.422 -17.596 -1.368
51 HH TYR 7 HH TYR 7 -8.054 -17.627 0.481
52 H VAL 8 H VAL 8 0.096 -17.238 -1.566
53 HA VAL 8 HA VAL 8 -0.934 -15.165 0.150
54 HB VAL 8 HB VAL 8 -0.366 -16.698 1.924
55 1HG1 VAL 8 1HG1 VAL 8 1.761 -17.407 0.096
56 2HG1 VAL 8 2HG1 VAL 8 1.173 -18.289 1.506
57 3HG1 VAL 8 3HG1 VAL 8 2.423 -17.059 1.693
58 1HG2 VAL 8 1HG2 VAL 8 1.122 -14.235 1.495
59 2HG2 VAL 8 2HG2 VAL 8 2.031 -15.362 2.502
60 3HG2 VAL 8 3HG2 VAL 8 0.410 -14.860 2.982
61 H SER 9 H SER 9 0.008 -13.297 -0.588
62 HA SER 9 HA SER 9 2.846 -13.310 -1.458
63 1HB SER 9 2HB SER 9 0.668 -13.654 -3.222
64 2HB SER 9 1HB SER 9 1.188 -11.984 -3.432
65 HG SER 9 HG SER 9 2.284 -13.987 -4.541
66 H ASP 10 H ASP 10 3.787 -11.282 -1.141
67 HA ASP 10 HA ASP 10 2.485 -9.347 0.500
68 1HB ASP 10 2HB ASP 10 5.039 -9.952 -0.433
69 2HB ASP 10 1HB ASP 10 4.710 -8.366 -1.130
70 H GLU 11 H GLU 11 0.476 -9.237 -1.028
71 HA GLU 11 HA GLU 11 0.675 -7.800 -3.531
72 1HB GLU 11 2HB GLU 11 -1.780 -7.745 -3.301
73 2HB GLU 11 1HB GLU 11 -1.159 -9.338 -2.863
74 1HG GLU 11 2HG GLU 11 -2.020 -9.149 -0.795
75 2HG GLU 11 1HG GLU 11 -1.144 -7.638 -0.538
76 H ILE 12 H ILE 12 1.074 -6.768 -0.341
77 HA ILE 12 HA ILE 12 -0.267 -4.234 -0.330
78 HB ILE 12 HB ILE 12 1.445 -3.777 1.475
79 1HG1 ILE 12 2HG1 ILE 12 2.457 -6.526 1.418
80 2HG1 ILE 12 1HG1 ILE 12 2.963 -5.589 0.012
81 1HG2 ILE 12 1HG2 ILE 12 0.552 -5.409 2.976
82 2HG2 ILE 12 2HG2 ILE 12 0.292 -6.568 1.672
83 3HG2 ILE 12 3HG2 ILE 12 -0.710 -5.120 1.778
84 1HD1 ILE 12 1HD1 ILE 12 3.487 -3.732 1.811
85 2HD1 ILE 12 2HD1 ILE 12 4.636 -5.042 1.536
86 3HD1 ILE 12 3HD1 ILE 12 3.540 -5.105 2.916
87 H VAL 13 H VAL 13 2.501 -5.340 -2.056
88 HA VAL 13 HA VAL 13 4.062 -2.970 -2.263
89 HB VAL 13 HB VAL 13 3.517 -5.327 -4.083
90 1HG1 VAL 13 1HG1 VAL 13 5.145 -2.866 -4.530
91 2HG1 VAL 13 2HG1 VAL 13 4.316 -3.892 -5.700
92 3HG1 VAL 13 3HG1 VAL 13 5.858 -4.406 -5.014
93 1HG2 VAL 13 1HG2 VAL 13 5.743 -6.028 -3.310
94 2HG2 VAL 13 2HG2 VAL 13 4.688 -5.736 -1.927
95 3HG2 VAL 13 3HG2 VAL 13 5.903 -4.540 -2.376
96 H TYR 14 H TYR 14 1.848 -4.217 -4.791
97 HA TYR 14 HA TYR 14 1.693 -1.775 -6.254
98 1HB TYR 14 2HB TYR 14 0.880 -4.378 -6.526
99 2HB TYR 14 1HB TYR 14 -0.663 -3.563 -6.259
100 HD1 TYR 14 1HD TYR 14 -0.438 -0.999 -7.499
101 HD2 TYR 14 2HD TYR 14 1.200 -4.748 -8.807
102 HE1 TYR 14 1HE TYR 14 -0.405 -0.170 -9.837
103 HE2 TYR 14 2HE TYR 14 1.232 -3.920 -11.144
104 HH TYR 14 HH TYR 14 -0.454 -1.615 -12.299
105 H LYS 15 H LYS 15 -0.160 -2.972 -3.488
106 HA LYS 15 HA LYS 15 -2.265 -0.981 -3.655
107 1HB LYS 15 2HB LYS 15 -2.544 -3.128 -2.525
108 2HB LYS 15 1HB LYS 15 -1.219 -2.751 -1.424
109 1HG LYS 15 2HG LYS 15 -2.491 -1.330 -0.160
110 2HG LYS 15 1HG LYS 15 -3.405 -0.748 -1.552
111 1HD LYS 15 2HD LYS 15 -3.754 -3.513 -0.364
112 2HD LYS 15 1HD LYS 15 -4.759 -2.130 0.071
113 1HE LYS 15 2HE LYS 15 -5.891 -2.164 -1.926
114 2HE LYS 15 1HE LYS 15 -4.450 -2.641 -2.845
115 1HZ LYS 15 1HZ LYS 15 -5.537 -4.510 -0.863
116 2HZ LYS 15 2HZ LYS 15 -4.706 -4.834 -2.308
117 3HZ LYS 15 3HZ LYS 15 -6.340 -4.369 -2.351
118 H ILE 16 H ILE 16 0.521 -1.339 -1.418
119 HA ILE 16 HA ILE 16 0.213 1.186 -0.124
120 HB ILE 16 HB ILE 16 2.648 -0.542 -0.675
121 1HG1 ILE 16 2HG1 ILE 16 0.636 -1.554 0.535
122 2HG1 ILE 16 1HG1 ILE 16 2.162 -1.599 1.417
123 1HG2 ILE 16 1HG2 ILE 16 2.270 1.983 0.802
124 2HG2 ILE 16 2HG2 ILE 16 3.751 1.249 0.189
125 3HG2 ILE 16 3HG2 ILE 16 3.074 0.714 1.726
126 1HD1 ILE 16 1HD1 ILE 16 0.609 0.863 1.851
127 2HD1 ILE 16 2HD1 ILE 16 1.413 -0.180 3.023
128 3HD1 ILE 16 3HD1 ILE 16 -0.191 -0.600 2.424
129 H ASN 17 H ASN 17 2.235 0.231 -2.917
130 HA ASN 17 HA ASN 17 3.635 2.578 -3.432
131 1HB ASN 17 2HB ASN 17 3.589 0.327 -4.651
132 2HB ASN 17 1HB ASN 17 2.194 0.945 -5.537
133 1HD2 ASN 17 1HD2 ASN 17 5.633 0.920 -5.439
134 2HD2 ASN 17 2HD2 ASN 17 5.899 2.115 -6.615
135 H LYS 18 H LYS 18 0.247 1.866 -4.319
136 HA LYS 18 HA LYS 18 -0.302 4.202 -5.830
137 1HB LYS 18 2HB LYS 18 -1.818 2.220 -4.183
138 2HB LYS 18 1HB LYS 18 -2.670 3.679 -4.692
139 1HG LYS 18 2HG LYS 18 -2.594 3.116 -6.921
140 2HG LYS 18 1HG LYS 18 -1.060 2.258 -6.759
141 1HD LYS 18 2HD LYS 18 -2.303 0.366 -6.846
142 2HD LYS 18 1HD LYS 18 -2.759 0.752 -5.186
143 1HE LYS 18 2HE LYS 18 -4.266 1.652 -7.670
144 2HE LYS 18 1HE LYS 18 -4.782 0.374 -6.552
145 1HZ LYS 18 1HZ LYS 18 -4.760 1.951 -4.747
146 2HZ LYS 18 2HZ LYS 18 -5.760 2.541 -5.988
147 3HZ LYS 18 3HZ LYS 18 -4.202 3.182 -5.772
148 H ILE 19 H ILE 19 -0.325 3.671 -2.316
149 HA ILE 19 HA ILE 19 -1.467 6.237 -1.629
150 HB ILE 19 HB ILE 19 0.273 4.265 -0.112
151 1HG1 ILE 19 2HG1 ILE 19 -1.889 3.381 -1.025
152 2HG1 ILE 19 1HG1 ILE 19 -1.843 3.402 0.738
153 1HG2 ILE 19 1HG2 ILE 19 0.334 6.341 1.080
154 2HG2 ILE 19 2HG2 ILE 19 -0.890 5.357 1.884
155 3HG2 ILE 19 3HG2 ILE 19 -1.377 6.641 0.778
156 1HD1 ILE 19 1HD1 ILE 19 -3.119 5.479 0.791
157 2HD1 ILE 19 2HD1 ILE 19 -3.990 4.292 -0.179
158 3HD1 ILE 19 3HD1 ILE 19 -3.081 5.581 -0.969
159 H VAL 20 H VAL 20 1.899 5.011 -1.672
160 HA VAL 20 HA VAL 20 3.170 7.409 -0.812
161 HB VAL 20 HB VAL 20 4.230 5.380 -2.797
162 1HG1 VAL 20 1HG1 VAL 20 5.521 7.011 -0.588
163 2HG1 VAL 20 2HG1 VAL 20 5.697 7.293 -2.320
164 3HG1 VAL 20 3HG1 VAL 20 6.356 5.827 -1.593
165 1HG2 VAL 20 1HG2 VAL 20 3.766 3.797 -1.250
166 2HG2 VAL 20 2HG2 VAL 20 3.245 5.007 -0.077
167 3HG2 VAL 20 3HG2 VAL 20 4.954 4.588 -0.212
168 H GLU 21 H GLU 21 2.482 6.233 -4.127
169 HA GLU 21 HA GLU 21 3.650 8.298 -5.625
170 1HB GLU 21 2HB GLU 21 2.481 6.156 -6.363
171 2HB GLU 21 1HB GLU 21 0.957 7.020 -6.166
172 1HG GLU 21 2HG GLU 21 2.906 8.566 -7.695
173 2HG GLU 21 1HG GLU 21 2.540 7.018 -8.455
174 H ARG 22 H ARG 22 0.212 8.189 -4.580
175 HA ARG 22 HA ARG 22 -0.656 10.695 -5.386
176 1HB ARG 22 2HB ARG 22 -1.277 8.726 -3.327
177 2HB ARG 22 1HB ARG 22 -1.667 10.361 -2.791
178 1HG ARG 22 2HG ARG 22 -2.458 9.834 -5.569
179 2HG ARG 22 1HG ARG 22 -3.273 8.793 -4.402
180 1HD ARG 22 2HD ARG 22 -3.622 11.043 -3.063
181 2HD ARG 22 1HD ARG 22 -3.382 11.785 -4.659
182 HE ARG 22 HE ARG 22 -5.188 10.153 -5.463
183 1HH1 ARG 22 1HH1 ARG 22 -5.407 8.846 -2.710
184 2HH1 ARG 22 2HH1 ARG 22 -6.846 9.595 -2.101
185 1HH2 ARG 22 1HH2 ARG 22 -6.838 12.137 -4.458
186 2HH2 ARG 22 2HH2 ARG 22 -7.655 11.459 -3.091
187 H ARG 23 H ARG 23 1.104 9.972 -2.354
188 HA ARG 23 HA ARG 23 1.188 12.544 -1.226
189 1HB ARG 23 2HB ARG 23 3.285 10.349 -1.329
190 2HB ARG 23 1HB ARG 23 3.291 11.683 -0.173
191 1HG ARG 23 2HG ARG 23 0.976 9.754 -0.486
192 2HG ARG 23 1HG ARG 23 2.258 9.552 0.708
193 1HD ARG 23 2HD ARG 23 1.533 12.176 1.119
194 2HD ARG 23 1HD ARG 23 -0.021 11.418 0.723
195 HE ARG 23 HE ARG 23 1.252 9.626 2.455
196 1HH1 ARG 23 1HH2 ARG 23 1.553 12.898 2.950
197 2HH1 ARG 23 2HH2 ARG 23 0.675 12.949 4.442
198 1HH2 ARG 23 1HH1 ARG 23 -0.461 9.684 4.194
199 2HH2 ARG 23 2HH1 ARG 23 -0.464 11.130 5.147
200 H ARG 24 H ARG 24 3.928 11.143 -3.067
201 HA ARG 24 HA ARG 24 5.249 13.625 -3.523
202 1HB ARG 24 2HB ARG 24 5.765 10.977 -3.887
203 2HB ARG 24 1HB ARG 24 5.480 11.472 -5.555
204 1HG ARG 24 2HG ARG 24 7.059 13.514 -4.720
205 2HG ARG 24 1HG ARG 24 7.689 12.206 -3.718
206 1HD ARG 24 2HD ARG 24 7.261 11.280 -6.440
207 2HD ARG 24 1HD ARG 24 8.344 12.687 -6.407
208 HE ARG 24 HE ARG 24 8.835 10.540 -4.417
209 1HH1 ARG 24 1HH1 ARG 24 9.549 9.780 -7.290
210 2HH1 ARG 24 2HH1 ARG 24 11.219 10.235 -7.347
211 1HH2 ARG 24 1HH2 ARG 24 11.060 12.183 -4.482
212 2HH2 ARG 24 2HH2 ARG 24 12.073 11.597 -5.759
213 H ALA 25 H ALA 25 2.976 11.795 -5.601
214 HA ALA 25 HA ALA 25 2.982 13.279 -7.939
215 1HB ALA 25 1HB ALA 25 1.045 11.738 -6.341
216 2HB ALA 25 2HB ALA 25 1.374 11.668 -8.072
217 3HB ALA 25 3HB ALA 25 0.290 12.901 -7.429
218 H GLU 26 H GLU 26 1.329 14.139 -4.896
219 HA GLU 26 HA GLU 26 0.477 16.727 -5.980
220 1HB GLU 26 2HB GLU 26 0.054 15.058 -3.546
221 2HB GLU 26 1HB GLU 26 -0.207 16.796 -3.388
222 1HG GLU 26 2HG GLU 26 -1.667 16.633 -5.475
223 2HG GLU 26 1HG GLU 26 -1.583 14.882 -5.284
224 H GLY 27 H GLY 27 3.120 15.411 -4.146
225 1HA GLY 27 2HA GLY 27 5.086 16.470 -3.400
226 2HA GLY 27 1HA GLY 27 4.506 17.959 -4.147
227 H ALA 28 H ALA 28 2.712 16.093 -1.743
228 HA ALA 28 HA ALA 28 2.685 18.501 0.003
229 1HB ALA 28 1HB ALA 28 1.054 15.985 -0.321
230 2HB ALA 28 2HB ALA 28 0.522 17.664 -0.426
231 3HB ALA 28 3HB ALA 28 0.904 16.956 1.144
232 H LYS 29 H LYS 29 5.118 16.994 -0.091
233 HA LYS 29 HA LYS 29 5.683 16.625 2.685
234 1HB LYS 29 2HB LYS 29 4.090 14.633 1.766
235 2HB LYS 29 1HB LYS 29 5.669 13.952 1.379
236 1HG LYS 29 2HG LYS 29 4.899 13.298 3.653
237 2HG LYS 29 1HG LYS 29 6.396 14.229 3.697
238 1HD LYS 29 2HD LYS 29 5.354 16.124 4.554
239 2HD LYS 29 1HD LYS 29 3.780 15.683 3.892
240 1HE LYS 29 2HE LYS 29 4.661 13.646 5.751
241 2HE LYS 29 1HE LYS 29 4.668 15.241 6.531
242 1HZ LYS 29 1HZ LYS 29 2.440 13.839 5.208
243 2HZ LYS 29 2HZ LYS 29 2.452 15.538 5.263
244 3HZ LYS 29 3HZ LYS 29 2.460 14.638 6.704
245 H SER 30 H SER 30 6.849 17.645 0.125
246 HA SER 30 HA SER 30 8.946 17.693 -0.965
247 1HB SER 30 2HB SER 30 9.240 17.099 1.863
248 2HB SER 30 1HB SER 30 10.561 16.391 0.937
249 HG SER 30 HG SER 30 9.718 19.024 0.422
250 H THR 31 H THR 31 11.029 15.966 -1.163
251 HA THR 31 HA THR 31 9.808 13.623 -2.484
252 HB THR 31 HB THR 31 12.184 13.332 -3.256
253 HG1 THR 31 1HG THR 31 13.142 14.245 -1.387
254 1HG2 THR 31 1HG2 THR 31 10.327 15.171 -4.052
255 2HG2 THR 31 2HG2 THR 31 11.861 14.891 -4.877
256 3HG2 THR 31 3HG2 THR 31 11.713 16.209 -3.715
257 H ASP 32 H ASP 32 10.053 13.964 0.573
258 HA ASP 32 HA ASP 32 11.960 11.887 1.379
259 1HB ASP 32 2HB ASP 32 10.442 14.022 2.522
260 2HB ASP 32 1HB ASP 32 10.027 12.541 3.387
261 H VAL 33 H VAL 33 8.626 12.027 0.406
262 HA VAL 33 HA VAL 33 7.621 9.714 1.776
263 HB VAL 33 HB VAL 33 6.926 11.174 -0.782
264 1HG1 VAL 33 1HG1 VAL 33 4.662 9.813 -0.179
265 2HG1 VAL 33 2HG1 VAL 33 5.870 8.631 0.328
266 3HG1 VAL 33 3HG1 VAL 33 5.860 9.225 -1.332
267 1HG2 VAL 33 1HG2 VAL 33 5.349 12.301 0.511
268 2HG2 VAL 33 2HG2 VAL 33 6.637 12.065 1.693
269 3HG2 VAL 33 3HG2 VAL 33 5.236 10.995 1.691
270 H SER 34 H SER 34 7.395 7.547 0.983
271 HA SER 34 HA SER 34 8.334 6.614 -1.555
272 1HB SER 34 2HB SER 34 10.573 6.305 -1.214
273 2HB SER 34 1HB SER 34 10.368 7.525 0.039
274 HG SER 34 HG SER 34 11.122 5.022 0.327
275 H PHE 35 H PHE 35 7.993 4.347 -1.741
276 HA PHE 35 HA PHE 35 6.108 3.034 -0.210
277 1HB PHE 35 2HB PHE 35 7.239 2.335 -2.372
278 2HB PHE 35 1HB PHE 35 8.575 1.728 -1.394
279 HD1 PHE 35 1HD PHE 35 8.184 -0.109 0.261
280 HD2 PHE 35 2HD PHE 35 5.163 1.141 -2.525
281 HE1 PHE 35 1HE PHE 35 6.936 -2.213 0.670
282 HE2 PHE 35 2HE PHE 35 3.914 -0.962 -2.116
283 HZ PHE 35 HZ PHE 35 4.802 -2.639 -0.518
284 H SER 36 H SER 36 9.623 2.417 0.195
285 HA SER 36 HA SER 36 9.577 0.887 2.516
286 1HB SER 36 2HB SER 36 11.851 1.641 2.793
287 2HB SER 36 1HB SER 36 11.525 1.632 1.062
288 HG SER 36 HG SER 36 11.478 3.848 2.836
289 H SER 37 H SER 37 9.195 4.405 2.241
290 HA SER 37 HA SER 37 9.239 4.844 5.134
291 1HB SER 37 2HB SER 37 9.975 6.653 3.829
292 2HB SER 37 1HB SER 37 8.699 6.431 2.633
293 HG SER 37 HG SER 37 8.377 8.230 4.083
294 H ILE 38 H ILE 38 6.725 4.727 2.593
295 HA ILE 38 HA ILE 38 4.533 5.257 4.427
296 HB ILE 38 HB ILE 38 4.758 4.130 1.619
297 1HG1 ILE 38 2HG1 ILE 38 5.455 6.510 2.018
298 2HG1 ILE 38 1HG1 ILE 38 4.061 6.365 0.947
299 1HG2 ILE 38 1HG2 ILE 38 2.425 4.484 3.425
300 2HG2 ILE 38 2HG2 ILE 38 2.644 3.373 2.074
301 3HG2 ILE 38 3HG2 ILE 38 2.221 5.057 1.771
302 1HD1 ILE 38 1HD1 ILE 38 3.639 8.126 2.587
303 2HD1 ILE 38 2HD1 ILE 38 3.988 7.012 3.909
304 3HD1 ILE 38 3HD1 ILE 38 2.562 6.764 2.900
305 H SER 39 H SER 39 6.005 2.327 3.047
306 HA SER 39 HA SER 39 4.032 0.503 4.155
307 1HB SER 39 2HB SER 39 5.472 0.094 2.157
308 2HB SER 39 1HB SER 39 6.884 0.068 3.211
309 HG SER 39 HG SER 39 6.334 -2.012 3.144
310 H THR 40 H THR 40 7.392 1.351 5.053
311 HA THR 40 HA THR 40 7.746 -0.280 7.294
312 HB THR 40 HB THR 40 8.604 2.540 6.616
313 HG1 THR 40 1HG THR 40 10.631 1.242 6.471
314 1HG2 THR 40 1HG2 THR 40 9.073 0.941 9.092
315 2HG2 THR 40 2HG2 THR 40 8.957 2.688 8.887
316 3HG2 THR 40 3HG2 THR 40 10.435 1.844 8.429
317 H MET 41 H MET 41 6.257 2.990 7.251
318 HA MET 41 HA MET 41 5.610 2.935 10.083
319 1HB MET 41 2HB MET 41 4.558 5.040 9.585
320 2HB MET 41 1HB MET 41 5.983 4.938 8.553
321 1HG MET 41 2HG MET 41 4.380 5.588 7.004
322 2HG MET 41 1HG MET 41 4.288 3.836 6.853
323 1HE MET 41 1HE MET 41 1.004 5.638 6.282
324 2HE MET 41 2HE MET 41 1.121 3.885 6.156
325 3HE MET 41 3HE MET 41 2.467 4.888 5.623
326 H LEU 42 H LEU 42 3.888 2.057 7.113
327 HA LEU 42 HA LEU 42 1.269 1.837 8.217
328 1HB LEU 42 2HB LEU 42 1.966 1.980 5.813
329 2HB LEU 42 1HB LEU 42 2.591 0.334 5.941
330 HG LEU 42 HG LEU 42 -0.125 0.666 6.955
331 1HD1 LEU 42 1HD1 LEU 42 0.588 1.745 4.347
332 2HD1 LEU 42 2HD1 LEU 42 -0.952 1.833 5.203
333 3HD1 LEU 42 3HD1 LEU 42 -0.577 0.429 4.203
334 1HD2 LEU 42 1HD2 LEU 42 1.550 -1.373 6.062
335 2HD2 LEU 42 2HD2 LEU 42 0.347 -1.224 4.781
336 3HD2 LEU 42 3HD2 LEU 42 -0.164 -1.537 6.438
337 H LEU 43 H LEU 43 3.767 -0.665 7.565
338 HA LEU 43 HA LEU 43 2.239 -2.789 8.787
339 1HB LEU 43 2HB LEU 43 4.162 -2.853 7.068
340 2HB LEU 43 1HB LEU 43 5.237 -2.696 8.460
341 HG LEU 43 HG LEU 43 3.323 -4.652 9.160
342 1HD1 LEU 43 1HD1 LEU 43 4.517 -5.127 6.407
343 2HD1 LEU 43 2HD1 LEU 43 2.807 -4.854 6.749
344 3HD1 LEU 43 3HD1 LEU 43 3.607 -6.307 7.350
345 1HD2 LEU 43 1HD2 LEU 43 5.397 -6.153 8.941
346 2HD2 LEU 43 2HD2 LEU 43 5.561 -4.743 9.987
347 3HD2 LEU 43 3HD2 LEU 43 6.244 -4.719 8.361
348 H GLU 44 H GLU 44 3.879 -0.166 10.167
349 HA GLU 44 HA GLU 44 4.883 -1.526 12.557
350 1HB GLU 44 2HB GLU 44 4.666 1.200 11.406
351 2HB GLU 44 1HB GLU 44 4.607 1.142 13.167
352 1HG GLU 44 2HG GLU 44 6.663 -0.620 12.528
353 2HG GLU 44 1HG GLU 44 6.872 0.701 11.377
354 H LEU 45 H LEU 45 2.014 0.125 11.456
355 HA LEU 45 HA LEU 45 0.668 -0.236 14.085
356 1HB LEU 45 2HB LEU 45 -0.754 1.497 13.317
357 2HB LEU 45 1HB LEU 45 0.831 1.942 12.692
358 HG LEU 45 HG LEU 45 -0.221 0.276 10.725
359 1HD1 LEU 45 1HD1 LEU 45 -2.350 2.310 11.292
360 2HD1 LEU 45 2HD1 LEU 45 -2.413 0.756 12.121
361 3HD1 LEU 45 3HD1 LEU 45 -2.454 0.818 10.360
362 1HD2 LEU 45 1HD2 LEU 45 1.107 2.432 10.551
363 2HD2 LEU 45 2HD2 LEU 45 -0.409 3.299 10.803
364 3HD2 LEU 45 3HD2 LEU 45 -0.204 2.277 9.381
365 H GLY 46 H GLY 46 1.073 -1.883 11.174
366 1HA GLY 46 2HA GLY 46 -0.011 -3.846 10.431
367 2HA GLY 46 1HA GLY 46 -1.168 -3.664 11.750
368 H LEU 47 H LEU 47 -0.528 -1.046 9.493
369 HA LEU 47 HA LEU 47 -2.002 0.070 8.022
370 1HB LEU 47 2HB LEU 47 -1.521 -2.511 7.240
371 2HB LEU 47 1HB LEU 47 -3.282 -2.478 7.264
372 HG LEU 47 HG LEU 47 -1.783 -0.221 5.969
373 1HD1 LEU 47 1HD1 LEU 47 -1.387 -1.380 4.006
374 2HD1 LEU 47 2HD1 LEU 47 -2.665 -2.552 4.315
375 3HD1 LEU 47 3HD1 LEU 47 -1.127 -2.678 5.169
376 1HD2 LEU 47 1HD2 LEU 47 -4.007 0.321 5.875
377 2HD2 LEU 47 2HD2 LEU 47 -4.525 -1.357 6.039
378 3HD2 LEU 47 3HD2 LEU 47 -3.985 -0.750 4.472
379 H ARG 48 H ARG 48 -3.115 -1.022 10.836
380 HA ARG 48 HA ARG 48 -5.969 -1.309 10.336
381 1HB ARG 48 2HB ARG 48 -4.186 -1.846 12.378
382 2HB ARG 48 1HB ARG 48 -5.092 -0.474 13.014
383 1HG ARG 48 2HG ARG 48 -7.164 -1.859 12.075
384 2HG ARG 48 1HG ARG 48 -6.055 -3.212 12.299
385 1HD ARG 48 2HD ARG 48 -6.190 -3.090 14.576
386 2HD ARG 48 1HD ARG 48 -6.147 -1.315 14.572
387 HE ARG 48 HE ARG 48 -8.611 -2.058 13.416
388 1HH1 ARG 48 1HH2 ARG 48 -8.152 -4.152 15.673
389 2HH1 ARG 48 2HH2 ARG 48 -9.050 -3.412 16.955
390 1HH2 ARG 48 1HH1 ARG 48 -9.256 -0.325 15.391
391 2HH2 ARG 48 2HH1 ARG 48 -9.674 -1.247 16.797
392 H VAL 49 H VAL 49 -4.412 1.148 12.397
393 HA VAL 49 HA VAL 49 -6.453 3.054 12.363
394 HB VAL 49 HB VAL 49 -3.465 3.575 12.300
395 1HG1 VAL 49 1HG1 VAL 49 -4.878 5.117 14.230
396 2HG1 VAL 49 2HG1 VAL 49 -5.770 5.235 12.712
397 3HG1 VAL 49 3HG1 VAL 49 -4.067 5.690 12.772
398 1HG2 VAL 49 1HG2 VAL 49 -5.210 2.183 14.243
399 2HG2 VAL 49 2HG2 VAL 49 -4.162 3.417 14.939
400 3HG2 VAL 49 3HG2 VAL 49 -3.462 2.081 14.026
401 H TYR 50 H TYR 50 -3.942 2.494 9.923
402 HA TYR 50 HA TYR 50 -4.029 4.771 8.349
403 1HB TYR 50 2HB TYR 50 -2.629 2.937 7.756
404 2HB TYR 50 1HB TYR 50 -3.995 1.823 7.676
405 HD1 TYR 50 1HD TYR 50 -2.322 4.674 5.999
406 HD2 TYR 50 2HD TYR 50 -5.389 1.679 5.721
407 HE1 TYR 50 1HE TYR 50 -2.598 5.180 3.586
408 HE2 TYR 50 2HE TYR 50 -5.664 2.185 3.310
409 HH TYR 50 HH TYR 50 -4.030 3.221 1.453
410 H GLU 51 H GLU 51 -6.348 2.032 8.118
411 HA GLU 51 HA GLU 51 -8.031 3.209 6.151
412 1HB GLU 51 2HB GLU 51 -7.728 0.825 7.425
413 2HB GLU 51 1HB GLU 51 -9.180 1.428 8.218
414 1HG GLU 51 2HG GLU 51 -9.321 1.921 5.376
415 2HG GLU 51 1HG GLU 51 -9.007 0.214 5.682
416 H ALA 52 H ALA 52 -7.559 4.030 9.442
417 HA ALA 52 HA ALA 52 -10.266 4.968 10.015
418 1HB ALA 52 1HB ALA 52 -7.980 6.080 11.513
419 2HB ALA 52 2HB ALA 52 -8.002 4.318 11.436
420 3HB ALA 52 3HB ALA 52 -9.382 5.188 12.105
421 H GLN 53 H GLN 53 -7.151 6.685 9.507
422 HA GLN 53 HA GLN 53 -8.531 9.226 9.109
423 1HB GLN 53 2HB GLN 53 -6.188 10.028 8.834
424 2HB GLN 53 1HB GLN 53 -6.391 9.055 10.291
425 1HG GLN 53 2HG GLN 53 -5.062 7.381 9.511
426 2HG GLN 53 1HG GLN 53 -5.704 7.508 7.874
427 1HE2 GLN 53 1HE2 GLN 53 -3.109 8.512 9.986
428 2HE2 GLN 53 2HE2 GLN 53 -2.270 9.443 8.842
429 H MET 54 H MET 54 -8.628 6.759 7.132
430 HA MET 54 HA MET 54 -7.369 7.391 4.693
431 1HB MET 54 2HB MET 54 -9.295 5.611 5.710
432 2HB MET 54 1HB MET 54 -10.085 6.415 4.354
433 1HG MET 54 2HG MET 54 -7.490 5.885 3.444
434 2HG MET 54 1HG MET 54 -7.962 4.430 4.323
435 1HE MET 54 1HE MET 54 -10.275 6.432 0.901
436 2HE MET 54 2HE MET 54 -8.967 7.112 1.866
437 3HE MET 54 3HE MET 54 -10.563 6.899 2.583
438 H GLU 55 H GLU 55 -10.231 8.825 6.183
439 HA GLU 55 HA GLU 55 -11.052 10.273 3.776
440 1HB GLU 55 2HB GLU 55 -12.247 9.473 6.085
441 2HB GLU 55 1HB GLU 55 -11.904 11.158 6.479
442 1HG GLU 55 2HG GLU 55 -13.430 11.946 4.990
443 2HG GLU 55 1HG GLU 55 -12.999 10.746 3.772
444 H ARG 56 H ARG 56 -11.524 12.839 4.703
445 HA ARG 56 HA ARG 56 -9.131 14.009 5.913
446 1HB ARG 56 2HB ARG 56 -9.363 13.542 3.043
447 2HB ARG 56 1HB ARG 56 -9.123 15.252 3.406
448 1HG ARG 56 2HG ARG 56 -7.428 13.350 4.929
449 2HG ARG 56 1HG ARG 56 -7.076 13.494 3.207
450 1HD ARG 56 2HD ARG 56 -7.526 16.092 4.524
451 2HD ARG 56 1HD ARG 56 -6.107 15.213 5.129
452 HE ARG 56 HE ARG 56 -6.116 14.969 2.302
453 1HH1 ARG 56 1HH1 ARG 56 -4.169 16.286 4.464
454 2HH1 ARG 56 2HH1 ARG 56 -3.870 17.791 3.660
455 1HH2 ARG 56 1HH2 ARG 56 -6.440 17.383 1.370
456 2HH2 ARG 56 2HH2 ARG 56 -5.154 18.410 1.906
Start of MODEL 4
1 1H ALA 2 1H ALA 2 -3.385 -22.293 -8.424
2 2H ALA 2 2H ALA 2 -4.299 -21.472 -7.251
3 3H ALA 2 3H ALA 2 -2.650 -21.114 -7.451
4 HA ALA 2 HA ALA 2 -3.712 -19.352 -8.538
5 1HB ALA 2 1HB ALA 2 -1.923 -20.309 -9.835
6 2HB ALA 2 2HB ALA 2 -3.239 -19.983 -10.964
7 3HB ALA 2 3HB ALA 2 -2.955 -21.627 -10.392
8 H LYS 3 H LYS 3 -4.936 -22.202 -10.326
9 HA LYS 3 HA LYS 3 -7.104 -22.665 -11.150
10 1HB LYS 3 2HB LYS 3 -7.306 -22.486 -8.561
11 2HB LYS 3 1HB LYS 3 -8.062 -20.923 -8.877
12 1HG LYS 3 2HG LYS 3 -9.960 -21.864 -9.721
13 2HG LYS 3 1HG LYS 3 -9.077 -23.165 -10.521
14 1HD LYS 3 2HD LYS 3 -10.078 -24.407 -8.863
15 2HD LYS 3 1HD LYS 3 -8.644 -23.893 -7.975
16 1HE LYS 3 2HE LYS 3 -11.039 -22.086 -7.950
17 2HE LYS 3 1HE LYS 3 -11.049 -23.530 -6.918
18 1HZ LYS 3 1HZ LYS 3 -9.267 -22.817 -5.723
19 2HZ LYS 3 2HZ LYS 3 -9.903 -21.297 -6.141
20 3HZ LYS 3 3HZ LYS 3 -8.596 -21.945 -7.013
21 H VAL 4 H VAL 4 -6.373 -21.064 -12.929
22 HA VAL 4 HA VAL 4 -6.991 -19.322 -14.404
23 HB VAL 4 HB VAL 4 -9.412 -19.141 -12.590
24 1HG1 VAL 4 1HG1 VAL 4 -9.364 -17.418 -14.281
25 2HG1 VAL 4 2HG1 VAL 4 -10.522 -18.642 -14.802
26 3HG1 VAL 4 3HG1 VAL 4 -8.915 -18.582 -15.526
27 1HG2 VAL 4 1HG2 VAL 4 -8.427 -21.343 -14.251
28 2HG2 VAL 4 2HG2 VAL 4 -10.050 -20.822 -14.706
29 3HG2 VAL 4 3HG2 VAL 4 -9.720 -21.336 -13.051
30 H GLN 5 H GLN 5 -5.910 -18.856 -11.416
31 HA GLN 5 HA GLN 5 -5.230 -16.964 -10.174
32 1HB GLN 5 2HB GLN 5 -5.742 -15.582 -12.826
33 2HB GLN 5 1HB GLN 5 -4.597 -15.095 -11.577
34 1HG GLN 5 2HG GLN 5 -3.309 -17.159 -11.923
35 2HG GLN 5 1HG GLN 5 -4.468 -17.689 -13.143
36 1HE2 GLN 5 1HE2 GLN 5 -4.736 -16.094 -15.059
37 2HE2 GLN 5 2HE2 GLN 5 -3.343 -15.278 -15.586
38 H ALA 6 H ALA 6 -6.055 -14.824 -9.340
39 HA ALA 6 HA ALA 6 -8.579 -13.708 -10.042
40 1HB ALA 6 1HB ALA 6 -9.887 -15.452 -9.396
41 2HB ALA 6 2HB ALA 6 -9.521 -14.938 -7.750
42 3HB ALA 6 3HB ALA 6 -8.569 -16.214 -8.508
43 H TYR 7 H TYR 7 -6.164 -12.622 -9.166
44 HA TYR 7 HA TYR 7 -5.227 -11.177 -7.538
45 1HB TYR 7 2HB TYR 7 -8.230 -10.885 -7.277
46 2HB TYR 7 1HB TYR 7 -7.100 -9.821 -6.440
47 HD1 TYR 7 1HD TYR 7 -8.994 -10.192 -9.364
48 HD2 TYR 7 2HD TYR 7 -5.122 -8.905 -8.022
49 HE1 TYR 7 1HE TYR 7 -8.724 -8.846 -11.429
50 HE2 TYR 7 2HE TYR 7 -4.852 -7.560 -10.086
51 HH TYR 7 HH TYR 7 -7.382 -6.789 -12.121
52 H VAL 8 H VAL 8 -4.523 -13.276 -6.387
53 HA VAL 8 HA VAL 8 -5.814 -13.390 -3.681
54 HB VAL 8 HB VAL 8 -5.339 -15.841 -3.775
55 1HG1 VAL 8 1HG1 VAL 8 -6.856 -15.900 -6.146
56 2HG1 VAL 8 2HG1 VAL 8 -7.248 -14.361 -5.377
57 3HG1 VAL 8 3HG1 VAL 8 -7.475 -15.871 -4.494
58 1HG2 VAL 8 1HG2 VAL 8 -3.441 -15.700 -5.368
59 2HG2 VAL 8 2HG2 VAL 8 -4.562 -15.224 -6.644
60 3HG2 VAL 8 3HG2 VAL 8 -4.671 -16.832 -5.928
61 H SER 9 H SER 9 -3.760 -11.687 -3.837
62 HA SER 9 HA SER 9 -1.570 -13.096 -2.422
63 1HB SER 9 2HB SER 9 -0.155 -11.522 -4.174
64 2HB SER 9 1HB SER 9 -0.455 -13.241 -4.404
65 HG SER 9 HG SER 9 -1.114 -12.037 -6.219
66 H ASP 10 H ASP 10 0.211 -11.152 -2.031
67 HA ASP 10 HA ASP 10 -1.003 -9.303 -0.246
68 1HB ASP 10 2HB ASP 10 1.622 -9.918 -1.402
69 2HB ASP 10 1HB ASP 10 1.432 -8.210 -1.005
70 H GLU 11 H GLU 11 -2.757 -8.484 -1.762
71 HA GLU 11 HA GLU 11 -2.092 -6.825 -4.035
72 1HB GLU 11 2HB GLU 11 -4.440 -7.576 -2.381
73 2HB GLU 11 1HB GLU 11 -4.576 -6.044 -3.245
74 1HG GLU 11 2HG GLU 11 -3.895 -7.230 -5.347
75 2HG GLU 11 1HG GLU 11 -3.944 -8.751 -4.455
76 H ILE 12 H ILE 12 -1.813 -6.310 -0.672
77 HA ILE 12 HA ILE 12 -2.500 -3.551 -0.415
78 HB ILE 12 HB ILE 12 -0.534 -5.403 0.948
79 1HG1 ILE 12 2HG1 ILE 12 -3.280 -4.293 1.583
80 2HG1 ILE 12 1HG1 ILE 12 -2.815 -5.983 1.386
81 1HG2 ILE 12 1HG2 ILE 12 -1.262 -2.546 1.663
82 2HG2 ILE 12 2HG2 ILE 12 0.337 -3.140 1.215
83 3HG2 ILE 12 3HG2 ILE 12 -0.403 -3.652 2.732
84 1HD1 ILE 12 1HD1 ILE 12 -2.973 -5.654 3.738
85 2HD1 ILE 12 2HD1 ILE 12 -2.117 -4.114 3.656
86 3HD1 ILE 12 3HD1 ILE 12 -1.248 -5.625 3.385
87 H VAL 13 H VAL 13 0.308 -5.133 -1.815
88 HA VAL 13 HA VAL 13 2.314 -3.219 -1.735
89 HB VAL 13 HB VAL 13 1.300 -4.969 -3.991
90 1HG1 VAL 13 1HG1 VAL 13 3.800 -3.276 -3.793
91 2HG1 VAL 13 2HG1 VAL 13 2.591 -3.272 -5.077
92 3HG1 VAL 13 3HG1 VAL 13 3.672 -4.654 -4.886
93 1HG2 VAL 13 1HG2 VAL 13 2.258 -6.573 -2.724
94 2HG2 VAL 13 2HG2 VAL 13 2.850 -5.372 -1.576
95 3HG2 VAL 13 3HG2 VAL 13 3.813 -5.786 -2.995
96 H TYR 14 H TYR 14 -0.357 -3.302 -4.129
97 HA TYR 14 HA TYR 14 0.337 -0.781 -5.353
98 1HB TYR 14 2HB TYR 14 -1.200 -2.882 -6.003
99 2HB TYR 14 1HB TYR 14 -2.456 -1.840 -5.338
100 HD1 TYR 14 1HD TYR 14 -3.344 -0.071 -6.615
101 HD2 TYR 14 2HD TYR 14 0.377 -1.872 -7.776
102 HE1 TYR 14 1HE TYR 14 -3.362 1.250 -8.714
103 HE2 TYR 14 2HE TYR 14 0.361 -0.552 -9.876
104 HH TYR 14 HH TYR 14 -2.208 0.824 -11.161
105 H LYS 15 H LYS 15 -1.525 -1.672 -2.526
106 HA LYS 15 HA LYS 15 -3.083 0.746 -2.290
107 1HB LYS 15 2HB LYS 15 -3.466 -1.498 -1.192
108 2HB LYS 15 1HB LYS 15 -2.103 -1.144 -0.130
109 1HG LYS 15 2HG LYS 15 -3.226 0.585 0.961
110 2HG LYS 15 1HG LYS 15 -4.323 0.861 -0.393
111 1HD LYS 15 2HD LYS 15 -4.418 -1.792 0.988
112 2HD LYS 15 1HD LYS 15 -5.155 -0.403 1.789
113 1HE LYS 15 2HE LYS 15 -6.817 -0.196 0.197
114 2HE LYS 15 1HE LYS 15 -5.783 -0.811 -1.109
115 1HZ LYS 15 1HZ LYS 15 -7.611 -2.333 -0.057
116 2HZ LYS 15 2HZ LYS 15 -6.432 -2.580 1.141
117 3HZ LYS 15 3HZ LYS 15 -6.099 -2.973 -0.478
118 H ILE 16 H ILE 16 -0.131 -0.320 -0.539
119 HA ILE 16 HA ILE 16 0.290 2.303 0.649
120 HB ILE 16 HB ILE 16 2.174 -0.054 0.322
121 1HG1 ILE 16 2HG1 ILE 16 0.185 0.543 2.538
122 2HG1 ILE 16 1HG1 ILE 16 -0.030 -0.696 1.302
123 1HG2 ILE 16 1HG2 ILE 16 2.172 1.650 2.747
124 2HG2 ILE 16 2HG2 ILE 16 2.740 2.434 1.273
125 3HG2 ILE 16 3HG2 ILE 16 3.530 0.966 1.852
126 1HD1 ILE 16 1HD1 ILE 16 2.522 -0.724 2.850
127 2HD1 ILE 16 2HD1 ILE 16 1.592 -2.072 2.195
128 3HD1 ILE 16 3HD1 ILE 16 1.060 -1.270 3.673
129 H ASN 17 H ASN 17 1.301 0.719 -2.312
130 HA ASN 17 HA ASN 17 3.605 2.322 -2.911
131 1HB ASN 17 2HB ASN 17 3.239 0.303 -4.113
132 2HB ASN 17 1HB ASN 17 1.578 0.747 -4.508
133 1HD2 ASN 17 1HD2 ASN 17 1.592 0.985 -6.762
134 2HD2 ASN 17 2HD2 ASN 17 2.690 1.957 -7.616
135 H LYS 18 H LYS 18 0.133 2.764 -3.561
136 HA LYS 18 HA LYS 18 0.405 5.099 -5.225
137 1HB LYS 18 2HB LYS 18 -1.819 4.057 -3.439
138 2HB LYS 18 1HB LYS 18 -2.025 5.338 -4.633
139 1HG LYS 18 2HG LYS 18 -1.721 3.890 -6.437
140 2HG LYS 18 1HG LYS 18 -0.821 2.719 -5.475
141 1HD LYS 18 2HD LYS 18 -2.965 1.734 -5.832
142 2HD LYS 18 1HD LYS 18 -2.993 2.337 -4.174
143 1HE LYS 18 2HE LYS 18 -3.888 4.546 -5.477
144 2HE LYS 18 1HE LYS 18 -4.522 3.274 -6.539
145 1HZ LYS 18 1HZ LYS 18 -5.003 2.190 -4.175
146 2HZ LYS 18 2HZ LYS 18 -6.127 3.193 -4.962
147 3HZ LYS 18 3HZ LYS 18 -5.128 3.823 -3.740
148 H ILE 19 H ILE 19 0.047 4.632 -1.719
149 HA ILE 19 HA ILE 19 -0.439 7.279 -0.886
150 HB ILE 19 HB ILE 19 1.288 5.103 0.340
151 1HG1 ILE 19 2HG1 ILE 19 -1.665 5.767 0.518
152 2HG1 ILE 19 1HG1 ILE 19 -0.940 4.279 -0.091
153 1HG2 ILE 19 1HG2 ILE 19 1.367 7.589 1.220
154 2HG2 ILE 19 2HG2 ILE 19 1.212 6.256 2.365
155 3HG2 ILE 19 3HG2 ILE 19 -0.211 7.188 1.897
156 1HD1 ILE 19 1HD1 ILE 19 -1.071 3.433 1.989
157 2HD1 ILE 19 2HD1 ILE 19 -1.611 4.984 2.631
158 3HD1 ILE 19 3HD1 ILE 19 0.112 4.636 2.501
159 H VAL 20 H VAL 20 2.705 5.697 -1.548
160 HA VAL 20 HA VAL 20 4.315 7.997 -0.885
161 HB VAL 20 HB VAL 20 4.987 5.772 -2.824
162 1HG1 VAL 20 1HG1 VAL 20 6.908 6.578 -0.765
163 2HG1 VAL 20 2HG1 VAL 20 6.457 7.899 -1.842
164 3HG1 VAL 20 3HG1 VAL 20 7.130 6.411 -2.508
165 1HG2 VAL 20 1HG2 VAL 20 4.351 4.350 -1.168
166 2HG2 VAL 20 2HG2 VAL 20 4.279 5.641 0.032
167 3HG2 VAL 20 3HG2 VAL 20 5.825 4.890 -0.364
168 H GLU 21 H GLU 21 3.241 6.661 -4.035
169 HA GLU 21 HA GLU 21 4.394 8.691 -5.671
170 1HB GLU 21 2HB GLU 21 2.336 6.561 -5.845
171 2HB GLU 21 1HB GLU 21 2.227 7.828 -7.067
172 1HG GLU 21 2HG GLU 21 4.553 7.459 -7.711
173 2HG GLU 21 1HG GLU 21 4.745 6.263 -6.429
174 H ARG 22 H ARG 22 1.390 8.572 -3.836
175 HA ARG 22 HA ARG 22 -0.220 10.516 -4.971
176 1HB ARG 22 2HB ARG 22 -0.196 9.123 -2.684
177 2HB ARG 22 1HB ARG 22 0.329 10.679 -2.037
178 1HG ARG 22 2HG ARG 22 -1.653 11.757 -2.661
179 2HG ARG 22 1HG ARG 22 -2.043 10.542 -3.879
180 1HD ARG 22 2HD ARG 22 -1.843 9.495 -1.114
181 2HD ARG 22 1HD ARG 22 -3.202 10.601 -1.409
182 HE ARG 22 HE ARG 22 -2.890 7.954 -2.586
183 1HH1 ARG 22 1HH2 ARG 22 -5.133 10.264 -2.023
184 2HH1 ARG 22 2HH2 ARG 22 -5.914 10.192 -3.568
185 1HH2 ARG 22 1HH1 ARG 22 -3.450 8.231 -5.020
186 2HH2 ARG 22 2HH1 ARG 22 -4.961 9.039 -5.265
187 H ARG 23 H ARG 23 2.373 11.240 -2.588
188 HA ARG 23 HA ARG 23 2.299 14.000 -2.529
189 1HB ARG 23 2HB ARG 23 4.224 11.873 -2.142
190 2HB ARG 23 1HB ARG 23 5.017 13.295 -2.820
191 1HG ARG 23 2HG ARG 23 5.084 13.614 -0.462
192 2HG ARG 23 1HG ARG 23 3.776 14.651 -1.032
193 1HD ARG 23 2HD ARG 23 2.212 12.647 -0.552
194 2HD ARG 23 1HD ARG 23 3.567 11.994 0.393
195 HE ARG 23 HE ARG 23 3.179 14.754 1.069
196 1HH1 ARG 23 1HH1 ARG 23 3.426 12.188 2.824
197 2HH1 ARG 23 2HH1 ARG 23 1.944 12.293 3.714
198 1HH2 ARG 23 1HH2 ARG 23 0.539 14.661 1.608
199 2HH2 ARG 23 2HH2 ARG 23 0.310 13.693 3.026
200 H ARG 24 H ARG 24 3.873 12.018 -5.067
201 HA ARG 24 HA ARG 24 4.739 14.288 -6.633
202 1HB ARG 24 2HB ARG 24 5.830 12.144 -6.837
203 2HB ARG 24 1HB ARG 24 4.300 11.344 -7.205
204 1HG ARG 24 2HG ARG 24 4.144 12.844 -9.253
205 2HG ARG 24 1HG ARG 24 5.813 13.315 -8.932
206 1HD ARG 24 2HD ARG 24 4.843 10.471 -9.408
207 2HD ARG 24 1HD ARG 24 5.781 11.457 -10.547
208 HE ARG 24 HE ARG 24 6.797 10.572 -7.873
209 1HH1 ARG 24 1HH2 ARG 24 7.807 9.302 -10.405
210 2HH1 ARG 24 2HH2 ARG 24 9.263 10.195 -10.696
211 1HH2 ARG 24 1HH1 ARG 24 8.423 12.776 -8.537
212 2HH2 ARG 24 2HH1 ARG 24 9.611 12.163 -9.639
213 H ALA 25 H ALA 25 2.129 11.899 -7.253
214 HA ALA 25 HA ALA 25 0.910 13.118 -9.446
215 1HB ALA 25 1HB ALA 25 0.202 11.315 -7.258
216 2HB ALA 25 2HB ALA 25 -0.298 11.259 -8.950
217 3HB ALA 25 3HB ALA 25 -1.184 12.261 -7.800
218 H GLU 26 H GLU 26 1.025 14.194 -6.128
219 HA GLU 26 HA GLU 26 -1.076 16.214 -6.516
220 1HB GLU 26 2HB GLU 26 0.137 14.758 -4.374
221 2HB GLU 26 1HB GLU 26 0.359 16.479 -4.061
222 1HG GLU 26 2HG GLU 26 -2.287 16.177 -5.023
223 2HG GLU 26 1HG GLU 26 -2.041 14.906 -3.824
224 H GLY 27 H GLY 27 2.359 15.933 -6.805
225 1HA GLY 27 2HA GLY 27 3.132 18.123 -8.061
226 2HA GLY 27 1HA GLY 27 2.722 18.874 -6.516
227 H ALA 28 H ALA 28 4.450 15.909 -7.515
228 HA ALA 28 HA ALA 28 6.160 15.426 -5.459
229 1HB ALA 28 1HB ALA 28 7.864 15.285 -7.630
230 2HB ALA 28 2HB ALA 28 6.272 15.270 -8.391
231 3HB ALA 28 3HB ALA 28 6.686 14.049 -7.187
232 H LYS 29 H LYS 29 8.046 16.287 -4.568
233 HA LYS 29 HA LYS 29 9.640 18.390 -5.686
234 1HB LYS 29 2HB LYS 29 7.275 19.418 -5.209
235 2HB LYS 29 1HB LYS 29 7.772 19.359 -3.520
236 1HG LYS 29 2HG LYS 29 9.990 20.462 -4.654
237 2HG LYS 29 1HG LYS 29 8.727 21.111 -5.703
238 1HD LYS 29 2HD LYS 29 7.823 21.259 -2.985
239 2HD LYS 29 1HD LYS 29 9.432 21.977 -3.083
240 1HE LYS 29 2HE LYS 29 8.635 23.344 -5.046
241 2HE LYS 29 1HE LYS 29 6.999 22.727 -4.739
242 1HZ LYS 29 1HZ LYS 29 8.371 23.637 -2.372
243 2HZ LYS 29 2HZ LYS 29 6.789 23.963 -2.902
244 3HZ LYS 29 3HZ LYS 29 8.093 24.872 -3.501
245 H SER 30 H SER 30 8.230 17.914 -2.440
246 HA SER 30 HA SER 30 10.974 17.258 -1.434
247 1HB SER 30 2HB SER 30 8.918 18.124 0.490
248 2HB SER 30 1HB SER 30 10.565 18.713 0.279
249 HG SER 30 HG SER 30 9.308 20.369 -0.373
250 H THR 31 H THR 31 9.073 15.406 -2.604
251 HA THR 31 HA THR 31 8.136 13.828 -0.244
252 HB THR 31 HB THR 31 6.490 14.389 -1.978
253 HG1 THR 31 1HG THR 31 6.361 11.985 -2.772
254 1HG2 THR 31 1HG2 THR 31 7.226 12.901 -4.204
255 2HG2 THR 31 2HG2 THR 31 8.733 13.676 -3.710
256 3HG2 THR 31 3HG2 THR 31 7.311 14.657 -4.063
257 H ASP 32 H ASP 32 10.944 13.917 -0.876
258 HA ASP 32 HA ASP 32 11.979 11.902 -2.523
259 1HB ASP 32 2HB ASP 32 13.448 13.391 -1.430
260 2HB ASP 32 1HB ASP 32 12.736 13.071 0.150
261 H VAL 33 H VAL 33 10.077 11.576 0.362
262 HA VAL 33 HA VAL 33 10.783 9.140 1.488
263 HB VAL 33 HB VAL 33 8.113 10.387 0.794
264 1HG1 VAL 33 1HG1 VAL 33 7.714 8.002 1.058
265 2HG1 VAL 33 2HG1 VAL 33 7.154 8.839 2.508
266 3HG1 VAL 33 3HG1 VAL 33 8.688 7.969 2.529
267 1HG2 VAL 33 1HG2 VAL 33 9.916 11.327 2.478
268 2HG2 VAL 33 2HG2 VAL 33 9.285 10.067 3.540
269 3HG2 VAL 33 3HG2 VAL 33 8.211 11.322 2.926
270 H SER 34 H SER 34 9.493 6.967 1.090
271 HA SER 34 HA SER 34 8.816 6.465 -1.739
272 1HB SER 34 2HB SER 34 10.639 4.820 -1.994
273 2HB SER 34 1HB SER 34 11.287 6.418 -1.639
274 HG SER 34 HG SER 34 11.798 5.780 0.360
275 H PHE 35 H PHE 35 8.662 3.840 -1.897
276 HA PHE 35 HA PHE 35 6.508 3.030 -0.223
277 1HB PHE 35 2HB PHE 35 7.255 2.171 -2.504
278 2HB PHE 35 1HB PHE 35 8.497 1.250 -1.655
279 HD1 PHE 35 1HD PHE 35 7.645 -0.205 0.377
280 HD2 PHE 35 2HD PHE 35 5.154 1.202 -2.826
281 HE1 PHE 35 1HE PHE 35 5.986 -1.974 0.892
282 HE2 PHE 35 2HE PHE 35 3.494 -0.568 -2.313
283 HZ PHE 35 HZ PHE 35 3.911 -2.155 -0.453
284 H SER 36 H SER 36 9.830 1.666 -0.225
285 HA SER 36 HA SER 36 9.776 0.102 2.044
286 1HB SER 36 2HB SER 36 11.797 1.905 0.766
287 2HB SER 36 1HB SER 36 12.211 1.164 2.310
288 HG SER 36 HG SER 36 12.642 -0.538 1.166
289 H SER 37 H SER 37 10.128 3.646 1.958
290 HA SER 37 HA SER 37 10.304 3.875 4.871
291 1HB SER 37 2HB SER 37 10.529 5.524 2.466
292 2HB SER 37 1HB SER 37 9.690 6.361 3.770
293 HG SER 37 HG SER 37 11.573 6.601 4.650
294 H ILE 38 H ILE 38 7.806 4.411 2.376
295 HA ILE 38 HA ILE 38 5.823 5.402 4.262
296 HB ILE 38 HB ILE 38 5.778 4.359 1.421
297 1HG1 ILE 38 2HG1 ILE 38 6.973 6.496 1.877
298 2HG1 ILE 38 1HG1 ILE 38 5.543 6.737 0.871
299 1HG2 ILE 38 1HG2 ILE 38 3.536 4.249 1.569
300 2HG2 ILE 38 2HG2 ILE 38 3.514 5.971 1.950
301 3HG2 ILE 38 3HG2 ILE 38 3.590 4.780 3.250
302 1HD1 ILE 38 1HD1 ILE 38 5.960 7.433 3.764
303 2HD1 ILE 38 2HD1 ILE 38 4.330 7.123 3.166
304 3HD1 ILE 38 3HD1 ILE 38 5.292 8.426 2.468
305 H SER 39 H SER 39 6.786 2.234 3.096
306 HA SER 39 HA SER 39 4.345 0.853 3.854
307 1HB SER 39 2HB SER 39 6.155 0.184 2.175
308 2HB SER 39 1HB SER 39 7.146 -0.262 3.560
309 HG SER 39 HG SER 39 5.711 -1.826 4.087
310 H THR 40 H THR 40 7.636 0.636 5.261
311 HA THR 40 HA THR 40 7.022 -0.724 7.621
312 HB THR 40 HB THR 40 8.996 1.527 7.125
313 HG1 THR 40 1HG THR 40 10.371 -0.389 6.857
314 1HG2 THR 40 1HG2 THR 40 9.411 -0.692 9.098
315 2HG2 THR 40 2HG2 THR 40 8.432 0.699 9.566
316 3HG2 THR 40 3HG2 THR 40 10.110 0.927 9.074
317 H MET 41 H MET 41 6.184 2.559 6.794
318 HA MET 41 HA MET 41 5.926 3.594 9.472
319 1HB MET 41 2HB MET 41 5.378 5.487 8.325
320 2HB MET 41 1HB MET 41 5.857 4.560 6.907
321 1HG MET 41 2HG MET 41 3.558 3.927 6.469
322 2HG MET 41 1HG MET 41 3.025 4.637 7.990
323 1HE MET 41 1HE MET 41 1.463 6.895 5.282
324 2HE MET 41 2HE MET 41 1.306 5.421 6.235
325 3HE MET 41 3HE MET 41 2.116 5.367 4.672
326 H LEU 42 H LEU 42 3.493 2.223 7.213
327 HA LEU 42 HA LEU 42 1.311 2.400 9.084
328 1HB LEU 42 2HB LEU 42 0.780 2.270 6.793
329 2HB LEU 42 1HB LEU 42 1.927 0.961 6.509
330 HG LEU 42 HG LEU 42 0.503 -0.513 7.940
331 1HD1 LEU 42 1HD1 LEU 42 -0.853 0.737 9.307
332 2HD1 LEU 42 2HD1 LEU 42 -1.972 0.571 7.954
333 3HD1 LEU 42 3HD1 LEU 42 -1.011 2.040 8.129
334 1HD2 LEU 42 1HD2 LEU 42 0.103 -0.928 5.691
335 2HD2 LEU 42 2HD2 LEU 42 -0.424 0.725 5.376
336 3HD2 LEU 42 3HD2 LEU 42 -1.502 -0.402 6.198
337 H LEU 43 H LEU 43 3.613 -0.183 8.217
338 HA LEU 43 HA LEU 43 2.535 -2.383 9.538
339 1HB LEU 43 2HB LEU 43 4.641 -2.289 8.209
340 2HB LEU 43 1HB LEU 43 5.429 -1.469 9.560
341 HG LEU 43 HG LEU 43 4.276 -3.632 10.801
342 1HD1 LEU 43 1HD1 LEU 43 3.837 -4.361 8.302
343 2HD1 LEU 43 2HD1 LEU 43 4.406 -5.546 9.478
344 3HD1 LEU 43 3HD1 LEU 43 5.542 -4.812 8.345
345 1HD2 LEU 43 1HD2 LEU 43 6.750 -2.579 10.593
346 2HD2 LEU 43 2HD2 LEU 43 6.989 -4.035 9.626
347 3HD2 LEU 43 3HD2 LEU 43 6.461 -4.166 11.304
348 H GLU 44 H GLU 44 3.802 0.546 10.972
349 HA GLU 44 HA GLU 44 4.318 -0.450 13.614
350 1HB GLU 44 2HB GLU 44 5.236 1.639 13.138
351 2HB GLU 44 1HB GLU 44 3.847 2.144 12.186
352 1HG GLU 44 2HG GLU 44 2.856 3.097 13.962
353 2HG GLU 44 1HG GLU 44 3.151 1.681 14.965
354 H LEU 45 H LEU 45 1.507 0.644 11.846
355 HA LEU 45 HA LEU 45 -0.266 0.531 14.207
356 1HB LEU 45 2HB LEU 45 -0.384 1.369 11.329
357 2HB LEU 45 1HB LEU 45 -1.897 1.034 12.171
358 HG LEU 45 HG LEU 45 0.188 2.831 13.399
359 1HD1 LEU 45 1HD1 LEU 45 -0.195 3.892 11.297
360 2HD1 LEU 45 2HD1 LEU 45 -1.252 4.719 12.442
361 3HD1 LEU 45 3HD1 LEU 45 -1.918 3.513 11.339
362 1HD2 LEU 45 1HD2 LEU 45 -1.800 1.877 14.687
363 2HD2 LEU 45 2HD2 LEU 45 -2.830 2.848 13.635
364 3HD2 LEU 45 3HD2 LEU 45 -1.661 3.637 14.694
365 H GLY 46 H GLY 46 0.889 -1.573 11.738
366 1HA GLY 46 2HA GLY 46 0.423 -3.949 11.785
367 2HA GLY 46 1HA GLY 46 -1.124 -3.603 12.554
368 H LEU 47 H LEU 47 -0.793 -1.376 10.119
369 HA LEU 47 HA LEU 47 -1.525 -1.269 7.872
370 1HB LEU 47 2HB LEU 47 -1.022 -3.111 6.650
371 2HB LEU 47 1HB LEU 47 -0.470 -3.799 8.173
372 HG LEU 47 HG LEU 47 -2.995 -4.489 8.455
373 1HD1 LEU 47 1HD1 LEU 47 -4.345 -4.119 6.696
374 2HD1 LEU 47 2HD1 LEU 47 -3.233 -4.977 5.628
375 3HD1 LEU 47 3HD1 LEU 47 -3.032 -3.247 5.906
376 1HD2 LEU 47 1HD2 LEU 47 -1.690 -6.360 8.301
377 2HD2 LEU 47 2HD2 LEU 47 -0.751 -5.711 6.955
378 3HD2 LEU 47 3HD2 LEU 47 -2.333 -6.434 6.659
379 H ARG 48 H ARG 48 -3.349 -2.849 10.380
380 HA ARG 48 HA ARG 48 -5.856 -3.034 8.930
381 1HB ARG 48 2HB ARG 48 -6.716 -3.646 11.094
382 2HB ARG 48 1HB ARG 48 -5.088 -4.317 10.989
383 1HG ARG 48 2HG ARG 48 -4.239 -2.266 12.169
384 2HG ARG 48 1HG ARG 48 -5.915 -1.770 12.407
385 1HD ARG 48 2HD ARG 48 -6.313 -4.011 13.544
386 2HD ARG 48 1HD ARG 48 -4.554 -4.245 13.512
387 HE ARG 48 HE ARG 48 -5.772 -1.808 14.752
388 1HH1 ARG 48 1HH2 ARG 48 -2.782 -2.947 14.295
389 2HH1 ARG 48 2HH2 ARG 48 -2.367 -3.199 15.958
390 1HH2 ARG 48 1HH1 ARG 48 -5.614 -2.802 17.104
391 2HH2 ARG 48 2HH1 ARG 48 -3.970 -3.119 17.548
392 H VAL 49 H VAL 49 -4.484 -0.670 11.240
393 HA VAL 49 HA VAL 49 -6.690 1.041 11.548
394 HB VAL 49 HB VAL 49 -3.720 1.621 11.310
395 1HG1 VAL 49 1HG1 VAL 49 -4.134 3.786 11.795
396 2HG1 VAL 49 2HG1 VAL 49 -5.284 3.349 13.061
397 3HG1 VAL 49 3HG1 VAL 49 -5.818 3.461 11.384
398 1HG2 VAL 49 1HG2 VAL 49 -3.563 1.098 13.565
399 2HG2 VAL 49 2HG2 VAL 49 -4.828 -0.029 13.079
400 3HG2 VAL 49 3HG2 VAL 49 -5.255 1.483 13.879
401 H TYR 50 H TYR 50 -3.978 1.882 9.372
402 HA TYR 50 HA TYR 50 -5.167 3.850 7.844
403 1HB TYR 50 2HB TYR 50 -2.860 3.171 7.575
404 2HB TYR 50 1HB TYR 50 -3.346 1.567 7.025
405 HD1 TYR 50 1HD TYR 50 -4.724 4.924 6.121
406 HD2 TYR 50 2HD TYR 50 -2.628 1.420 4.789
407 HE1 TYR 50 1HE TYR 50 -4.827 5.751 3.786
408 HE2 TYR 50 2HE TYR 50 -2.731 2.247 2.453
409 HH TYR 50 HH TYR 50 -4.719 4.870 1.519
410 H GLU 51 H GLU 51 -5.214 0.377 6.918
411 HA GLU 51 HA GLU 51 -7.030 0.634 4.760
412 1HB GLU 51 2HB GLU 51 -5.454 -1.266 5.891
413 2HB GLU 51 1HB GLU 51 -7.038 -1.820 6.423
414 1HG GLU 51 2HG GLU 51 -7.155 -1.017 3.655
415 2HG GLU 51 1HG GLU 51 -5.862 -2.193 3.886
416 H ALA 52 H ALA 52 -7.560 0.498 8.226
417 HA ALA 52 HA ALA 52 -10.391 -0.206 8.061
418 1HB ALA 52 1HB ALA 52 -9.414 -0.805 10.082
419 2HB ALA 52 2HB ALA 52 -10.097 0.757 10.533
420 3HB ALA 52 3HB ALA 52 -8.387 0.628 10.124
421 H GLN 53 H GLN 53 -8.539 2.807 8.553
422 HA GLN 53 HA GLN 53 -10.744 4.550 8.998
423 1HB GLN 53 2HB GLN 53 -7.927 4.798 7.972
424 2HB GLN 53 1HB GLN 53 -8.979 6.213 7.996
425 1HG GLN 53 2HG GLN 53 -9.461 5.381 10.476
426 2HG GLN 53 1HG GLN 53 -7.876 4.631 10.283
427 1HE2 GLN 53 1HE2 GLN 53 -7.906 6.599 12.162
428 2HE2 GLN 53 2HE2 GLN 53 -7.209 8.033 11.579
429 H MET 54 H MET 54 -9.523 3.083 6.068
430 HA MET 54 HA MET 54 -11.127 4.935 4.369
431 1HB MET 54 2HB MET 54 -9.864 3.822 2.548
432 2HB MET 54 1HB MET 54 -8.776 4.433 3.793
433 1HG MET 54 2HG MET 54 -8.260 2.317 4.579
434 2HG MET 54 1HG MET 54 -9.801 1.635 4.059
435 1HE MET 54 1HE MET 54 -9.742 0.930 0.584
436 2HE MET 54 2HE MET 54 -9.635 2.688 0.585
437 3HE MET 54 3HE MET 54 -10.573 1.869 1.832
438 H GLU 55 H GLU 55 -12.140 2.612 6.181
439 HA GLU 55 HA GLU 55 -14.074 1.570 4.208
440 1HB GLU 55 2HB GLU 55 -11.836 0.195 4.310
441 2HB GLU 55 1HB GLU 55 -12.496 -0.418 5.826
442 1HG GLU 55 2HG GLU 55 -14.519 -0.433 3.748
443 2HG GLU 55 1HG GLU 55 -13.094 -1.344 3.242
444 H ARG 56 H ARG 56 -15.667 0.054 5.421
445 HA ARG 56 HA ARG 56 -16.123 1.177 8.160
446 1HB ARG 56 2HB ARG 56 -18.487 0.536 7.670
447 2HB ARG 56 1HB ARG 56 -17.830 1.634 6.456
448 1HG ARG 56 2HG ARG 56 -18.005 0.088 4.815
449 2HG ARG 56 1HG ARG 56 -17.314 -1.179 5.830
450 1HD ARG 56 2HD ARG 56 -19.483 -1.526 6.930
451 2HD ARG 56 1HD ARG 56 -20.191 -0.207 5.977
452 HE ARG 56 HE ARG 56 -20.387 -1.767 4.225
453 1HH1 ARG 56 1HH1 ARG 56 -17.389 -1.785 3.841
454 2HH1 ARG 56 2HH1 ARG 56 -17.030 -3.473 3.982
455 1HH2 ARG 56 1HH2 ARG 56 -20.069 -4.269 5.447
456 2HH2 ARG 56 2HH2 ARG 56 -18.547 -4.880 4.892
Start of MODEL 5
1 1H ALA 2 1H ALA 2 1.739 -24.277 -8.018
2 2H ALA 2 2H ALA 2 0.956 -25.584 -7.265
3 3H ALA 2 3H ALA 2 0.085 -24.177 -7.650
4 HA ALA 2 HA ALA 2 1.254 -26.116 -9.582
5 1HB ALA 2 1HB ALA 2 -0.758 -27.111 -9.329
6 2HB ALA 2 2HB ALA 2 -1.562 -25.606 -9.774
7 3HB ALA 2 3HB ALA 2 -1.172 -25.931 -8.085
8 H LYS 3 H LYS 3 0.536 -22.853 -8.951
9 HA LYS 3 HA LYS 3 0.440 -22.277 -11.894
10 1HB LYS 3 2HB LYS 3 -1.245 -21.336 -9.594
11 2HB LYS 3 1HB LYS 3 -0.988 -20.252 -10.963
12 1HG LYS 3 2HG LYS 3 -1.750 -23.078 -11.558
13 2HG LYS 3 1HG LYS 3 -3.004 -22.004 -10.935
14 1HD LYS 3 2HD LYS 3 -3.204 -21.583 -13.205
15 2HD LYS 3 1HD LYS 3 -2.024 -20.347 -12.762
16 1HE LYS 3 2HE LYS 3 -0.194 -21.660 -13.580
17 2HE LYS 3 1HE LYS 3 -1.212 -23.108 -13.724
18 1HZ LYS 3 1HZ LYS 3 -1.392 -20.595 -15.287
19 2HZ LYS 3 2HZ LYS 3 -2.653 -21.732 -15.242
20 3HZ LYS 3 3HZ LYS 3 -1.136 -22.166 -15.871
21 H VAL 4 H VAL 4 1.639 -20.428 -12.531
22 HA VAL 4 HA VAL 4 3.535 -19.389 -10.471
23 HB VAL 4 HB VAL 4 4.891 -18.817 -12.459
24 1HG1 VAL 4 1HG1 VAL 4 4.853 -21.161 -11.452
25 2HG1 VAL 4 2HG1 VAL 4 5.418 -21.061 -13.120
26 3HG1 VAL 4 3HG1 VAL 4 3.781 -21.616 -12.775
27 1HG2 VAL 4 1HG2 VAL 4 2.733 -20.126 -14.124
28 2HG2 VAL 4 2HG2 VAL 4 4.116 -19.182 -14.678
29 3HG2 VAL 4 3HG2 VAL 4 2.771 -18.382 -13.862
30 H GLN 5 H GLN 5 0.637 -18.507 -11.763
31 HA GLN 5 HA GLN 5 1.049 -15.787 -12.597
32 1HB GLN 5 2HB GLN 5 -1.394 -15.669 -12.288
33 2HB GLN 5 1HB GLN 5 -0.948 -17.194 -13.054
34 1HG GLN 5 2HG GLN 5 -1.431 -18.444 -11.168
35 2HG GLN 5 1HG GLN 5 -1.081 -17.111 -10.068
36 1HE2 GLN 5 1HE2 GLN 5 -3.165 -16.646 -12.889
37 2HE2 GLN 5 2HE2 GLN 5 -4.608 -16.459 -12.014
38 H ALA 6 H ALA 6 -0.684 -14.288 -10.997
39 HA ALA 6 HA ALA 6 -0.701 -12.990 -9.020
40 1HB ALA 6 1HB ALA 6 0.333 -14.718 -7.103
41 2HB ALA 6 2HB ALA 6 -0.304 -15.811 -8.332
42 3HB ALA 6 3HB ALA 6 -1.362 -14.617 -7.580
43 H TYR 7 H TYR 7 1.548 -12.637 -10.668
44 HA TYR 7 HA TYR 7 4.073 -12.938 -9.333
45 1HB TYR 7 2HB TYR 7 3.130 -12.169 -11.799
46 2HB TYR 7 1HB TYR 7 3.707 -10.637 -11.143
47 HD1 TYR 7 1HD TYR 7 4.907 -14.177 -10.800
48 HD2 TYR 7 2HD TYR 7 5.824 -10.153 -11.993
49 HE1 TYR 7 1HE TYR 7 7.246 -14.851 -11.276
50 HE2 TYR 7 2HE TYR 7 8.162 -10.827 -12.468
51 HH TYR 7 HH TYR 7 9.149 -14.172 -12.460
52 H VAL 8 H VAL 8 5.338 -10.639 -9.034
53 HA VAL 8 HA VAL 8 5.564 -8.660 -7.753
54 HB VAL 8 HB VAL 8 2.552 -8.635 -7.545
55 1HG1 VAL 8 1HG1 VAL 8 3.832 -6.873 -6.400
56 2HG1 VAL 8 2HG1 VAL 8 2.922 -6.200 -7.754
57 3HG1 VAL 8 3HG1 VAL 8 4.657 -6.481 -7.909
58 1HG2 VAL 8 1HG2 VAL 8 4.143 -8.728 -9.976
59 2HG2 VAL 8 2HG2 VAL 8 3.284 -7.194 -9.847
60 3HG2 VAL 8 3HG2 VAL 8 2.390 -8.714 -9.798
61 H SER 9 H SER 9 4.445 -11.559 -6.684
62 HA SER 9 HA SER 9 3.991 -12.467 -4.530
63 1HB SER 9 2HB SER 9 6.427 -11.401 -4.712
64 2HB SER 9 1HB SER 9 5.785 -10.311 -3.486
65 HG SER 9 HG SER 9 6.414 -11.929 -2.251
66 H ASP 10 H ASP 10 4.201 -11.000 -2.060
67 HA ASP 10 HA ASP 10 1.729 -10.343 -1.242
68 1HB ASP 10 2HB ASP 10 2.883 -8.515 0.149
69 2HB ASP 10 1HB ASP 10 3.591 -10.130 0.234
70 H GLU 11 H GLU 11 0.447 -9.545 -2.993
71 HA GLU 11 HA GLU 11 0.834 -7.337 -4.646
72 1HB GLU 11 2HB GLU 11 -1.087 -8.782 -4.827
73 2HB GLU 11 1HB GLU 11 -1.627 -8.359 -3.202
74 1HG GLU 11 2HG GLU 11 -2.901 -7.167 -4.999
75 2HG GLU 11 1HG GLU 11 -2.072 -6.069 -3.893
76 H ILE 12 H ILE 12 0.350 -7.334 -1.190
77 HA ILE 12 HA ILE 12 -0.739 -4.804 -0.672
78 HB ILE 12 HB ILE 12 1.413 -6.468 0.647
79 1HG1 ILE 12 2HG1 ILE 12 -0.948 -7.296 0.578
80 2HG1 ILE 12 1HG1 ILE 12 -0.381 -6.989 2.220
81 1HG2 ILE 12 1HG2 ILE 12 0.133 -3.909 1.655
82 2HG2 ILE 12 2HG2 ILE 12 1.842 -4.155 1.298
83 3HG2 ILE 12 3HG2 ILE 12 1.093 -5.005 2.649
84 1HD1 ILE 12 1HD1 ILE 12 -1.412 -4.535 1.425
85 2HD1 ILE 12 2HD1 ILE 12 -2.223 -5.703 2.467
86 3HD1 ILE 12 3HD1 ILE 12 -2.542 -5.698 0.733
87 H VAL 13 H VAL 13 2.345 -5.596 -2.079
88 HA VAL 13 HA VAL 13 3.895 -3.311 -1.448
89 HB VAL 13 HB VAL 13 3.669 -5.096 -3.885
90 1HG1 VAL 13 1HG1 VAL 13 4.637 -2.795 -4.393
91 2HG1 VAL 13 2HG1 VAL 13 5.709 -4.156 -4.727
92 3HG1 VAL 13 3HG1 VAL 13 5.939 -3.187 -3.271
93 1HG2 VAL 13 1HG2 VAL 13 5.865 -5.933 -2.913
94 2HG2 VAL 13 2HG2 VAL 13 4.443 -6.256 -1.923
95 3HG2 VAL 13 3HG2 VAL 13 5.531 -4.936 -1.498
96 H TYR 14 H TYR 14 2.135 -3.782 -4.540
97 HA TYR 14 HA TYR 14 2.247 -1.094 -5.408
98 1HB TYR 14 2HB TYR 14 1.531 -3.254 -6.605
99 2HB TYR 14 1HB TYR 14 -0.054 -3.004 -5.872
100 HD1 TYR 14 1HD TYR 14 2.529 -0.845 -7.546
101 HD2 TYR 14 2HD TYR 14 -1.601 -1.991 -7.278
102 HE1 TYR 14 1HE TYR 14 1.963 0.787 -9.324
103 HE2 TYR 14 2HE TYR 14 -2.169 -0.360 -9.058
104 HH TYR 14 HH TYR 14 -1.104 1.840 -9.941
105 H LYS 15 H LYS 15 0.256 -2.574 -2.960
106 HA LYS 15 HA LYS 15 -1.908 -0.671 -2.932
107 1HB LYS 15 2HB LYS 15 -1.565 -3.036 -1.851
108 2HB LYS 15 1HB LYS 15 -0.853 -2.128 -0.516
109 1HG LYS 15 2HG LYS 15 -3.073 -0.662 -0.849
110 2HG LYS 15 1HG LYS 15 -3.679 -2.202 -1.463
111 1HD LYS 15 2HD LYS 15 -2.829 -3.294 0.639
112 2HD LYS 15 1HD LYS 15 -2.446 -1.687 1.257
113 1HE LYS 15 2HE LYS 15 -5.215 -2.161 0.206
114 2HE LYS 15 1HE LYS 15 -4.796 -2.796 1.810
115 1HZ LYS 15 1HZ LYS 15 -4.327 -0.007 0.895
116 2HZ LYS 15 2HZ LYS 15 -3.960 -0.628 2.432
117 3HZ LYS 15 3HZ LYS 15 -5.578 -0.492 1.933
118 H ILE 16 H ILE 16 1.169 -0.864 -1.121
119 HA ILE 16 HA ILE 16 0.674 1.569 0.396
120 HB ILE 16 HB ILE 16 3.270 0.117 -0.199
121 1HG1 ILE 16 2HG1 ILE 16 1.082 -0.444 1.821
122 2HG1 ILE 16 1HG1 ILE 16 1.702 -1.535 0.582
123 1HG2 ILE 16 1HG2 ILE 16 2.780 2.456 1.206
124 2HG2 ILE 16 2HG2 ILE 16 4.190 1.416 1.410
125 3HG2 ILE 16 3HG2 ILE 16 2.794 1.226 2.471
126 1HD1 ILE 16 1HD1 ILE 16 3.023 -0.637 3.132
127 2HD1 ILE 16 2HD1 ILE 16 3.997 -1.202 1.774
128 3HD1 ILE 16 3HD1 ILE 16 2.809 -2.275 2.515
129 H ASN 17 H ASN 17 1.650 0.953 -2.823
130 HA ASN 17 HA ASN 17 3.451 3.188 -3.215
131 1HB ASN 17 2HB ASN 17 2.535 0.950 -4.606
132 2HB ASN 17 1HB ASN 17 1.894 2.308 -5.530
133 1HD2 ASN 17 1HD2 ASN 17 4.093 0.523 -6.385
134 2HD2 ASN 17 2HD2 ASN 17 5.463 1.507 -6.576
135 H LYS 18 H LYS 18 -0.029 2.697 -3.918
136 HA LYS 18 HA LYS 18 -0.685 5.137 -5.097
137 1HB LYS 18 2HB LYS 18 -2.105 3.381 -3.080
138 2HB LYS 18 1HB LYS 18 -2.902 4.754 -3.852
139 1HG LYS 18 2HG LYS 18 -3.270 3.543 -5.710
140 2HG LYS 18 1HG LYS 18 -1.546 3.199 -5.858
141 1HD LYS 18 2HD LYS 18 -1.949 1.063 -5.284
142 2HD LYS 18 1HD LYS 18 -2.513 1.619 -3.707
143 1HE LYS 18 2HE LYS 18 -4.456 0.582 -4.436
144 2HE LYS 18 1HE LYS 18 -4.719 2.179 -5.165
145 1HZ LYS 18 1HZ LYS 18 -3.580 1.419 -7.159
146 2HZ LYS 18 2HZ LYS 18 -4.919 0.426 -6.828
147 3HZ LYS 18 3HZ LYS 18 -3.348 -0.115 -6.471
148 H ILE 19 H ILE 19 0.107 4.497 -1.724
149 HA ILE 19 HA ILE 19 -0.816 7.069 -0.718
150 HB ILE 19 HB ILE 19 1.183 5.090 0.420
151 1HG1 ILE 19 2HG1 ILE 19 -1.082 4.141 -0.325
152 2HG1 ILE 19 1HG1 ILE 19 -0.655 3.896 1.369
153 1HG2 ILE 19 1HG2 ILE 19 1.284 6.913 1.848
154 2HG2 ILE 19 2HG2 ILE 19 -0.073 6.037 2.558
155 3HG2 ILE 19 3HG2 ILE 19 -0.369 7.414 1.496
156 1HD1 ILE 19 1HD1 ILE 19 -2.310 5.272 2.118
157 2HD1 ILE 19 2HD1 ILE 19 -3.030 4.954 0.539
158 3HD1 ILE 19 3HD1 ILE 19 -2.085 6.422 0.799
159 H VAL 20 H VAL 20 2.387 5.697 -1.543
160 HA VAL 20 HA VAL 20 3.857 8.113 -0.931
161 HB VAL 20 HB VAL 20 4.634 5.922 -2.868
162 1HG1 VAL 20 1HG1 VAL 20 6.838 6.356 -1.514
163 2HG1 VAL 20 2HG1 VAL 20 6.052 7.871 -1.070
164 3HG1 VAL 20 3HG1 VAL 20 6.358 7.500 -2.768
165 1HG2 VAL 20 1HG2 VAL 20 4.227 4.433 -1.214
166 2HG2 VAL 20 2HG2 VAL 20 3.921 5.712 -0.038
167 3HG2 VAL 20 3HG2 VAL 20 5.572 5.182 -0.356
168 H GLU 21 H GLU 21 2.855 6.628 -4.038
169 HA GLU 21 HA GLU 21 3.798 8.445 -5.891
170 1HB GLU 21 2HB GLU 21 1.490 6.650 -5.578
171 2HB GLU 21 1HB GLU 21 1.209 7.953 -6.736
172 1HG GLU 21 2HG GLU 21 3.863 6.721 -6.989
173 2HG GLU 21 1HG GLU 21 2.536 5.599 -7.297
174 H ARG 22 H ARG 22 0.841 8.836 -3.914
175 HA ARG 22 HA ARG 22 -0.261 11.169 -4.899
176 1HB ARG 22 2HB ARG 22 -0.326 9.643 -2.549
177 2HB ARG 22 1HB ARG 22 0.048 11.278 -2.002
178 1HG ARG 22 2HG ARG 22 -2.108 11.845 -2.281
179 2HG ARG 22 1HG ARG 22 -1.957 11.505 -4.005
180 1HD ARG 22 2HD ARG 22 -2.826 9.347 -3.795
181 2HD ARG 22 1HD ARG 22 -2.344 9.213 -2.092
182 HE ARG 22 HE ARG 22 -4.097 11.133 -1.761
183 1HH1 ARG 22 1HH2 ARG 22 -4.993 10.984 -4.643
184 2HH1 ARG 22 2HH2 ARG 22 -6.383 9.957 -4.524
185 1HH2 ARG 22 1HH1 ARG 22 -5.571 8.781 -1.365
186 2HH2 ARG 22 2HH1 ARG 22 -6.711 8.710 -2.669
187 H ARG 23 H ARG 23 2.380 11.090 -2.465
188 HA ARG 23 HA ARG 23 2.918 13.804 -2.199
189 1HB ARG 23 2HB ARG 23 4.143 11.333 -1.648
190 2HB ARG 23 1HB ARG 23 5.359 12.258 -2.530
191 1HG ARG 23 2HG ARG 23 5.791 13.106 -0.446
192 2HG ARG 23 1HG ARG 23 4.459 14.184 -0.866
193 1HD ARG 23 2HD ARG 23 2.935 13.052 0.496
194 2HD ARG 23 1HD ARG 23 3.853 11.534 0.429
195 HE ARG 23 HE ARG 23 5.654 12.887 1.736
196 1HH1 ARG 23 1HH2 ARG 23 3.509 15.183 1.755
197 2HH1 ARG 23 2HH2 ARG 23 2.994 15.077 3.404
198 1HH2 ARG 23 1HH1 ARG 23 4.456 11.977 3.939
199 2HH2 ARG 23 2HH1 ARG 23 3.529 13.261 4.642
200 H ARG 24 H ARG 24 4.189 11.637 -4.753
201 HA ARG 24 HA ARG 24 5.592 13.743 -6.166
202 1HB ARG 24 2HB ARG 24 5.433 10.962 -6.164
203 2HB ARG 24 1HB ARG 24 4.734 11.410 -7.720
204 1HG ARG 24 2HG ARG 24 6.842 13.044 -7.782
205 2HG ARG 24 1HG ARG 24 7.511 11.823 -6.700
206 1HD ARG 24 2HD ARG 24 6.183 11.068 -9.315
207 2HD ARG 24 1HD ARG 24 7.919 11.427 -9.204
208 HE ARG 24 HE ARG 24 7.519 9.670 -7.120
209 1HH1 ARG 24 1HH1 ARG 24 5.391 9.121 -9.514
210 2HH1 ARG 24 2HH1 ARG 24 6.088 7.650 -10.108
211 1HH2 ARG 24 1HH2 ARG 24 9.022 7.996 -8.293
212 2HH2 ARG 24 2HH2 ARG 24 8.144 7.014 -9.418
213 H ALA 25 H ALA 25 2.586 11.935 -6.969
214 HA ALA 25 HA ALA 25 1.750 13.279 -9.244
215 1HB ALA 25 1HB ALA 25 0.537 11.878 -6.968
216 2HB ALA 25 2HB ALA 25 0.147 11.762 -8.684
217 3HB ALA 25 3HB ALA 25 -0.557 13.047 -7.705
218 H GLU 26 H GLU 26 1.803 14.462 -5.934
219 HA GLU 26 HA GLU 26 0.314 16.899 -6.549
220 1HB GLU 26 2HB GLU 26 1.129 15.371 -4.283
221 2HB GLU 26 1HB GLU 26 1.778 17.000 -4.086
222 1HG GLU 26 2HG GLU 26 -0.873 17.267 -5.083
223 2HG GLU 26 1HG GLU 26 -0.930 16.111 -3.752
224 H GLY 27 H GLY 27 3.684 15.872 -6.301
225 1HA GLY 27 2HA GLY 27 5.208 17.316 -7.748
226 2HA GLY 27 1HA GLY 27 4.511 18.690 -6.889
227 H ALA 28 H ALA 28 5.516 15.545 -5.554
228 HA ALA 28 HA ALA 28 7.137 16.979 -3.528
229 1HB ALA 28 1HB ALA 28 7.140 14.781 -2.444
230 2HB ALA 28 2HB ALA 28 6.482 14.037 -3.903
231 3HB ALA 28 3HB ALA 28 5.503 15.170 -2.971
232 H LYS 29 H LYS 29 9.307 15.756 -2.986
233 HA LYS 29 HA LYS 29 10.694 14.378 -5.120
234 1HB LYS 29 2HB LYS 29 10.418 16.658 -6.084
235 2HB LYS 29 1HB LYS 29 11.292 17.324 -4.704
236 1HG LYS 29 2HG LYS 29 13.273 16.817 -5.642
237 2HG LYS 29 1HG LYS 29 12.784 15.136 -5.864
238 1HD LYS 29 2HD LYS 29 11.315 16.355 -7.813
239 2HD LYS 29 1HD LYS 29 12.752 17.378 -7.791
240 1HE LYS 29 2HE LYS 29 13.626 14.658 -7.618
241 2HE LYS 29 1HE LYS 29 12.481 14.789 -8.968
242 1HZ LYS 29 1HZ LYS 29 14.647 16.757 -8.483
243 2HZ LYS 29 2HZ LYS 29 13.671 16.606 -9.866
244 3HZ LYS 29 3HZ LYS 29 14.835 15.422 -9.512
245 H SER 30 H SER 30 10.936 16.443 -2.239
246 HA SER 30 HA SER 30 13.531 16.071 -1.362
247 1HB SER 30 2HB SER 30 11.532 17.227 -0.261
248 2HB SER 30 1HB SER 30 11.089 15.646 0.379
249 HG SER 30 HG SER 30 12.946 17.379 1.250
250 H THR 31 H THR 31 14.577 14.428 -0.041
251 HA THR 31 HA THR 31 13.790 11.684 -0.776
252 HB THR 31 HB THR 31 16.043 12.223 1.079
253 HG1 THR 31 1HG THR 31 17.230 13.112 -0.733
254 1HG2 THR 31 1HG2 THR 31 15.791 10.046 0.040
255 2HG2 THR 31 2HG2 THR 31 17.213 10.832 -0.649
256 3HG2 THR 31 3HG2 THR 31 15.706 10.779 -1.563
257 H ASP 32 H ASP 32 11.947 13.009 1.026
258 HA ASP 32 HA ASP 32 12.493 11.711 3.659
259 1HB ASP 32 2HB ASP 32 11.551 14.207 2.889
260 2HB ASP 32 1HB ASP 32 10.078 13.349 3.349
261 H VAL 33 H VAL 33 10.278 11.690 0.910
262 HA VAL 33 HA VAL 33 8.636 9.572 2.244
263 HB VAL 33 HB VAL 33 7.601 11.689 1.334
264 1HG1 VAL 33 1HG1 VAL 33 8.445 10.465 -1.312
265 2HG1 VAL 33 2HG1 VAL 33 9.106 11.941 -0.608
266 3HG1 VAL 33 3HG1 VAL 33 7.419 11.886 -1.120
267 1HG2 VAL 33 1HG2 VAL 33 5.812 10.317 1.263
268 2HG2 VAL 33 2HG2 VAL 33 6.834 8.936 0.868
269 3HG2 VAL 33 3HG2 VAL 33 6.211 9.968 -0.419
270 H SER 34 H SER 34 8.578 7.509 1.359
271 HA SER 34 HA SER 34 9.496 6.967 -1.369
272 1HB SER 34 2HB SER 34 11.119 5.988 0.998
273 2HB SER 34 1HB SER 34 11.489 5.734 -0.706
274 HG SER 34 HG SER 34 12.237 7.736 0.807
275 H PHE 35 H PHE 35 8.822 4.892 -2.034
276 HA PHE 35 HA PHE 35 6.657 3.602 -0.904
277 1HB PHE 35 2HB PHE 35 7.750 3.166 -3.115
278 2HB PHE 35 1HB PHE 35 9.019 2.276 -2.275
279 HD1 PHE 35 1HD PHE 35 5.573 2.212 -3.467
280 HD2 PHE 35 2HD PHE 35 8.470 0.184 -1.027
281 HE1 PHE 35 1HE PHE 35 4.150 0.181 -3.466
282 HE2 PHE 35 2HE PHE 35 7.047 -1.848 -1.026
283 HZ PHE 35 HZ PHE 35 4.887 -1.849 -2.245
284 H SER 36 H SER 36 10.094 2.916 -0.194
285 HA SER 36 HA SER 36 9.602 0.776 1.665
286 1HB SER 36 2HB SER 36 11.844 2.669 1.004
287 2HB SER 36 1HB SER 36 11.992 1.607 2.401
288 HG SER 36 HG SER 36 12.723 0.354 0.815
289 H SER 37 H SER 37 9.780 4.296 2.013
290 HA SER 37 HA SER 37 9.790 4.255 4.931
291 1HB SER 37 2HB SER 37 10.378 6.041 2.917
292 2HB SER 37 1HB SER 37 8.844 6.661 3.518
293 HG SER 37 HG SER 37 9.739 7.070 5.418
294 H ILE 38 H ILE 38 7.325 4.903 2.415
295 HA ILE 38 HA ILE 38 5.181 5.423 4.282
296 HB ILE 38 HB ILE 38 5.286 4.567 1.374
297 1HG1 ILE 38 2HG1 ILE 38 6.334 6.768 2.016
298 2HG1 ILE 38 1HG1 ILE 38 4.969 6.929 0.912
299 1HG2 ILE 38 1HG2 ILE 38 3.073 4.502 3.084
300 2HG2 ILE 38 2HG2 ILE 38 3.031 4.518 1.320
301 3HG2 ILE 38 3HG2 ILE 38 2.914 6.031 2.218
302 1HD1 ILE 38 1HD1 ILE 38 3.821 8.157 2.409
303 2HD1 ILE 38 2HD1 ILE 38 5.271 8.180 3.415
304 3HD1 ILE 38 3HD1 ILE 38 4.049 6.931 3.657
305 H SER 39 H SER 39 6.608 2.503 3.004
306 HA SER 39 HA SER 39 4.333 0.761 3.486
307 1HB SER 39 2HB SER 39 5.843 -0.078 1.937
308 2HB SER 39 1HB SER 39 7.240 0.540 2.812
309 HG SER 39 HG SER 39 5.563 -1.577 3.695
310 H THR 40 H THR 40 7.469 1.134 5.189
311 HA THR 40 HA THR 40 7.036 -0.565 7.361
312 HB THR 40 HB THR 40 8.372 2.158 7.307
313 HG1 THR 40 1HG THR 40 9.238 -0.455 6.650
314 1HG2 THR 40 1HG2 THR 40 8.466 -0.173 9.206
315 2HG2 THR 40 2HG2 THR 40 8.322 1.545 9.571
316 3HG2 THR 40 3HG2 THR 40 9.865 0.887 9.026
317 H MET 41 H MET 41 5.775 2.728 6.900
318 HA MET 41 HA MET 41 4.851 3.160 9.570
319 1HB MET 41 2HB MET 41 3.679 4.983 8.593
320 2HB MET 41 1HB MET 41 5.093 4.758 7.566
321 1HG MET 41 2HG MET 41 3.593 4.718 5.864
322 2HG MET 41 1HG MET 41 3.272 3.071 6.392
323 1HE MET 41 1HE MET 41 1.501 4.660 4.722
324 2HE MET 41 2HE MET 41 1.505 6.275 5.426
325 3HE MET 41 3HE MET 41 0.023 5.322 5.433
326 H LEU 42 H LEU 42 3.485 1.321 6.893
327 HA LEU 42 HA LEU 42 0.805 1.084 7.941
328 1HB LEU 42 2HB LEU 42 2.503 -0.029 5.812
329 2HB LEU 42 1HB LEU 42 1.288 -1.160 6.408
330 HG LEU 42 HG LEU 42 0.703 1.680 5.521
331 1HD1 LEU 42 1HD1 LEU 42 0.860 0.823 3.434
332 2HD1 LEU 42 2HD1 LEU 42 -0.591 -0.100 3.820
333 3HD1 LEU 42 3HD1 LEU 42 1.000 -0.826 4.042
334 1HD2 LEU 42 1HD2 LEU 42 -1.449 -0.323 5.634
335 2HD2 LEU 42 2HD2 LEU 42 -1.423 1.332 6.243
336 3HD2 LEU 42 3HD2 LEU 42 -0.733 0.026 7.207
337 H LEU 43 H LEU 43 3.443 -1.343 7.829
338 HA LEU 43 HA LEU 43 2.286 -3.271 9.518
339 1HB LEU 43 2HB LEU 43 4.318 -3.597 8.192
340 2HB LEU 43 1HB LEU 43 5.176 -2.411 9.179
341 HG LEU 43 HG LEU 43 4.114 -4.190 11.042
342 1HD1 LEU 43 1HD1 LEU 43 5.396 -6.287 9.860
343 2HD1 LEU 43 2HD1 LEU 43 4.656 -5.525 8.453
344 3HD1 LEU 43 3HD1 LEU 43 3.649 -6.050 9.803
345 1HD2 LEU 43 1HD2 LEU 43 6.260 -3.982 11.704
346 2HD2 LEU 43 2HD2 LEU 43 6.630 -3.188 10.172
347 3HD2 LEU 43 3HD2 LEU 43 6.802 -4.937 10.324
348 H GLU 44 H GLU 44 4.214 -0.397 10.396
349 HA GLU 44 HA GLU 44 4.424 -0.906 13.196
350 1HB GLU 44 2HB GLU 44 4.271 1.609 11.506
351 2HB GLU 44 1HB GLU 44 4.626 1.646 13.233
352 1HG GLU 44 2HG GLU 44 6.273 -0.347 11.953
353 2HG GLU 44 1HG GLU 44 6.452 1.197 11.118
354 H LEU 45 H LEU 45 1.806 0.100 11.171
355 HA LEU 45 HA LEU 45 0.114 0.880 13.495
356 1HB LEU 45 2HB LEU 45 0.301 1.409 10.594
357 2HB LEU 45 1HB LEU 45 -1.347 1.222 11.195
358 HG LEU 45 HG LEU 45 0.171 2.832 13.040
359 1HD1 LEU 45 1HD1 LEU 45 0.125 4.760 11.125
360 2HD1 LEU 45 2HD1 LEU 45 0.574 3.360 10.151
361 3HD1 LEU 45 3HD1 LEU 45 1.568 3.828 11.529
362 1HD2 LEU 45 1HD2 LEU 45 -2.386 2.766 11.666
363 2HD2 LEU 45 2HD2 LEU 45 -1.735 4.404 11.698
364 3HD2 LEU 45 3HD2 LEU 45 -1.972 3.521 13.207
365 H GLY 46 H GLY 46 0.882 -1.846 11.648
366 1HA GLY 46 2HA GLY 46 -0.080 -3.994 11.667
367 2HA GLY 46 1HA GLY 46 -1.313 -3.382 12.771
368 H LEU 47 H LEU 47 -1.091 -1.371 10.094
369 HA LEU 47 HA LEU 47 -2.342 -1.145 8.105
370 1HB LEU 47 2HB LEU 47 -3.218 -4.004 8.589
371 2HB LEU 47 1HB LEU 47 -3.152 -3.139 7.057
372 HG LEU 47 HG LEU 47 -0.666 -3.554 8.714
373 1HD1 LEU 47 1HD1 LEU 47 -2.185 -5.505 7.094
374 2HD1 LEU 47 2HD1 LEU 47 -0.979 -5.783 8.349
375 3HD1 LEU 47 3HD1 LEU 47 -0.468 -5.395 6.706
376 1HD2 LEU 47 1HD2 LEU 47 0.258 -3.450 6.289
377 2HD2 LEU 47 2HD2 LEU 47 -0.314 -1.949 7.018
378 3HD2 LEU 47 3HD2 LEU 47 -1.332 -2.814 5.867
379 H ARG 48 H ARG 48 -3.871 -2.400 11.028
380 HA ARG 48 HA ARG 48 -6.600 -1.915 10.180
381 1HB ARG 48 2HB ARG 48 -5.805 -3.487 11.977
382 2HB ARG 48 1HB ARG 48 -5.393 -2.080 12.958
383 1HG ARG 48 2HG ARG 48 -7.655 -3.036 13.489
384 2HG ARG 48 1HG ARG 48 -7.706 -1.346 12.981
385 1HD ARG 48 2HD ARG 48 -8.855 -1.837 11.066
386 2HD ARG 48 1HD ARG 48 -7.914 -3.312 10.771
387 HE ARG 48 HE ARG 48 -9.824 -3.335 13.045
388 1HH1 ARG 48 1HH1 ARG 48 -8.266 -5.336 10.972
389 2HH1 ARG 48 2HH1 ARG 48 -9.661 -6.198 10.415
390 1HH2 ARG 48 1HH2 ARG 48 -11.923 -3.999 11.852
391 2HH2 ARG 48 2HH2 ARG 48 -11.731 -5.440 10.911
392 H VAL 49 H VAL 49 -4.798 -0.282 12.809
393 HA VAL 49 HA VAL 49 -6.331 1.969 13.180
394 HB VAL 49 HB VAL 49 -3.308 1.793 12.967
395 1HG1 VAL 49 1HG1 VAL 49 -5.188 3.787 14.226
396 2HG1 VAL 49 2HG1 VAL 49 -3.824 4.093 13.150
397 3HG1 VAL 49 3HG1 VAL 49 -3.538 3.587 14.816
398 1HG2 VAL 49 1HG2 VAL 49 -5.141 0.459 14.668
399 2HG2 VAL 49 2HG2 VAL 49 -4.392 1.726 15.640
400 3HG2 VAL 49 3HG2 VAL 49 -3.386 0.526 14.828
401 H TYR 50 H TYR 50 -4.305 1.268 10.394
402 HA TYR 50 HA TYR 50 -4.148 3.904 9.279
403 1HB TYR 50 2HB TYR 50 -2.709 2.182 8.478
404 2HB TYR 50 1HB TYR 50 -4.058 1.085 8.191
405 HD1 TYR 50 1HD TYR 50 -3.299 4.646 7.258
406 HD2 TYR 50 2HD TYR 50 -4.445 0.725 5.929
407 HE1 TYR 50 1HE TYR 50 -3.493 5.489 4.933
408 HE2 TYR 50 2HE TYR 50 -4.640 1.568 3.606
409 HH TYR 50 HH TYR 50 -3.543 3.588 2.288
410 H GLU 51 H GLU 51 -6.425 1.214 8.578
411 HA GLU 51 HA GLU 51 -8.058 2.602 6.728
412 1HB GLU 51 2HB GLU 51 -7.814 0.100 7.747
413 2HB GLU 51 1HB GLU 51 -9.264 0.635 8.591
414 1HG GLU 51 2HG GLU 51 -9.432 1.456 5.852
415 2HG GLU 51 1HG GLU 51 -9.047 -0.263 5.906
416 H ALA 52 H ALA 52 -7.675 3.059 10.107
417 HA ALA 52 HA ALA 52 -10.361 3.955 10.751
418 1HB ALA 52 1HB ALA 52 -8.096 3.244 12.109
419 2HB ALA 52 2HB ALA 52 -9.444 4.113 12.842
420 3HB ALA 52 3HB ALA 52 -8.035 4.999 12.259
421 H GLN 53 H GLN 53 -7.287 5.743 10.261
422 HA GLN 53 HA GLN 53 -8.742 8.275 10.007
423 1HB GLN 53 2HB GLN 53 -5.863 7.374 10.020
424 2HB GLN 53 1HB GLN 53 -6.295 9.044 9.650
425 1HG GLN 53 2HG GLN 53 -7.775 8.700 11.877
426 2HG GLN 53 1HG GLN 53 -6.464 7.571 12.227
427 1HE2 GLN 53 1HE2 GLN 53 -4.175 8.685 11.470
428 2HE2 GLN 53 2HE2 GLN 53 -3.957 10.252 12.086
429 H MET 54 H MET 54 -9.196 6.203 7.931
430 HA MET 54 HA MET 54 -7.725 6.669 5.543
431 1HB MET 54 2HB MET 54 -9.613 5.580 4.493
432 2HB MET 54 1HB MET 54 -9.413 4.857 6.090
433 1HG MET 54 2HG MET 54 -11.182 6.262 6.999
434 2HG MET 54 1HG MET 54 -11.332 7.119 5.465
435 1HE MET 54 1HE MET 54 -12.730 4.883 2.987
436 2HE MET 54 2HE MET 54 -11.123 4.252 3.334
437 3HE MET 54 3HE MET 54 -11.406 5.992 3.376
438 H GLU 55 H GLU 55 -10.215 8.565 7.118
439 HA GLU 55 HA GLU 55 -10.384 10.371 4.735
440 1HB GLU 55 2HB GLU 55 -12.158 9.573 7.003
441 2HB GLU 55 1HB GLU 55 -12.345 11.206 6.368
442 1HG GLU 55 2HG GLU 55 -13.454 10.423 4.576
443 2HG GLU 55 1HG GLU 55 -12.107 9.359 4.174
444 H ARG 56 H ARG 56 -11.175 12.701 6.014
445 HA ARG 56 HA ARG 56 -9.470 13.402 8.259
446 1HB ARG 56 2HB ARG 56 -8.149 13.123 5.891
447 2HB ARG 56 1HB ARG 56 -8.599 14.827 5.807
448 1HG ARG 56 2HG ARG 56 -7.182 15.412 7.487
449 2HG ARG 56 1HG ARG 56 -7.558 13.970 8.433
450 1HD ARG 56 2HD ARG 56 -5.504 13.210 7.814
451 2HD ARG 56 1HD ARG 56 -6.196 12.977 6.197
452 HE ARG 56 HE ARG 56 -5.479 15.738 6.577
453 1HH1 ARG 56 1HH1 ARG 56 -4.939 14.030 4.126
454 2HH1 ARG 56 2HH1 ARG 56 -3.209 13.966 4.128
455 1HH2 ARG 56 1HH2 ARG 56 -2.908 15.044 7.409
456 2HH2 ARG 56 2HH2 ARG 56 -2.058 14.540 5.987
Start of MODEL 6
1 1H ALA 2 1H ALA 2 -1.505 -20.225 -13.610
2 2H ALA 2 2H ALA 2 -3.137 -19.767 -13.499
3 3H ALA 2 3H ALA 2 -2.609 -21.221 -12.797
4 HA ALA 2 HA ALA 2 -2.958 -19.050 -11.351
5 1HB ALA 2 1HB ALA 2 -1.394 -20.157 -9.797
6 2HB ALA 2 2HB ALA 2 -0.675 -21.042 -11.143
7 3HB ALA 2 3HB ALA 2 -2.345 -21.359 -10.671
8 H LYS 3 H LYS 3 -2.295 -17.042 -12.331
9 HA LYS 3 HA LYS 3 0.442 -16.537 -13.156
10 1HB LYS 3 2HB LYS 3 -2.147 -15.161 -12.927
11 2HB LYS 3 1HB LYS 3 -0.766 -14.099 -12.646
12 1HG LYS 3 2HG LYS 3 -1.145 -14.031 -14.998
13 2HG LYS 3 1HG LYS 3 0.244 -15.097 -14.779
14 1HD LYS 3 2HD LYS 3 -2.440 -16.378 -14.705
15 2HD LYS 3 1HD LYS 3 -1.891 -15.790 -16.273
16 1HE LYS 3 2HE LYS 3 0.325 -17.025 -15.762
17 2HE LYS 3 1HE LYS 3 -0.593 -17.864 -14.495
18 1HZ LYS 3 1HZ LYS 3 -1.498 -17.623 -17.315
19 2HZ LYS 3 2HZ LYS 3 -2.207 -18.558 -16.085
20 3HZ LYS 3 3HZ LYS 3 -0.681 -18.979 -16.703
21 H VAL 4 H VAL 4 1.973 -16.786 -11.517
22 HA VAL 4 HA VAL 4 3.108 -16.358 -9.486
23 HB VAL 4 HB VAL 4 1.507 -13.848 -10.028
24 1HG1 VAL 4 1HG1 VAL 4 3.351 -14.538 -7.769
25 2HG1 VAL 4 2HG1 VAL 4 1.899 -13.536 -7.761
26 3HG1 VAL 4 3HG1 VAL 4 3.403 -12.905 -8.432
27 1HG2 VAL 4 1HG2 VAL 4 3.155 -13.531 -11.533
28 2HG2 VAL 4 2HG2 VAL 4 3.971 -15.002 -11.003
29 3HG2 VAL 4 3HG2 VAL 4 4.306 -13.468 -10.199
30 H GLN 5 H GLN 5 1.987 -17.993 -8.226
31 HA GLN 5 HA GLN 5 -0.529 -17.933 -7.057
32 1HB GLN 5 2HB GLN 5 2.157 -19.001 -6.387
33 2HB GLN 5 1HB GLN 5 1.005 -18.956 -5.053
34 1HG GLN 5 2HG GLN 5 0.272 -20.097 -7.752
35 2HG GLN 5 1HG GLN 5 1.010 -21.085 -6.491
36 1HE2 GLN 5 1HE2 GLN 5 -0.822 -22.351 -5.900
37 2HE2 GLN 5 2HE2 GLN 5 -2.250 -21.685 -5.271
38 H ALA 6 H ALA 6 -1.011 -17.447 -4.657
39 HA ALA 6 HA ALA 6 0.442 -15.570 -3.107
40 1HB ALA 6 1HB ALA 6 0.260 -13.730 -4.416
41 2HB ALA 6 2HB ALA 6 -1.460 -13.731 -4.029
42 3HB ALA 6 3HB ALA 6 -0.885 -14.536 -5.488
43 H TYR 7 H TYR 7 -0.513 -15.851 -1.132
44 HA TYR 7 HA TYR 7 -3.420 -15.585 -0.808
45 1HB TYR 7 2HB TYR 7 -3.684 -17.893 0.049
46 2HB TYR 7 1HB TYR 7 -3.122 -17.904 -1.623
47 HD1 TYR 7 1HD TYR 7 -0.529 -17.962 -1.972
48 HD2 TYR 7 2HD TYR 7 -2.494 -19.088 1.676
49 HE1 TYR 7 1HE TYR 7 1.474 -19.257 -1.294
50 HE2 TYR 7 2HE TYR 7 -0.491 -20.383 2.355
51 HH TYR 7 HH TYR 7 2.396 -20.005 1.271
52 H VAL 8 H VAL 8 -1.926 -13.867 0.426
53 HA VAL 8 HA VAL 8 -2.040 -14.581 3.259
54 HB VAL 8 HB VAL 8 0.087 -15.615 2.380
55 1HG1 VAL 8 1HG1 VAL 8 0.496 -13.775 0.706
56 2HG1 VAL 8 2HG1 VAL 8 1.903 -14.174 1.691
57 3HG1 VAL 8 3HG1 VAL 8 0.956 -12.730 2.049
58 1HG2 VAL 8 1HG2 VAL 8 -0.371 -14.306 4.737
59 2HG2 VAL 8 2HG2 VAL 8 1.061 -13.457 4.156
60 3HG2 VAL 8 3HG2 VAL 8 1.105 -15.205 4.382
61 H SER 9 H SER 9 -0.709 -12.295 0.852
62 HA SER 9 HA SER 9 -2.168 -10.036 1.724
63 1HB SER 9 2HB SER 9 0.102 -9.097 2.913
64 2HB SER 9 1HB SER 9 -1.219 -9.855 3.799
65 HG SER 9 HG SER 9 1.314 -10.748 3.300
66 H ASP 10 H ASP 10 -1.222 -11.012 -0.748
67 HA ASP 10 HA ASP 10 1.163 -9.729 -1.685
68 1HB ASP 10 2HB ASP 10 -0.214 -11.665 -2.657
69 2HB ASP 10 1HB ASP 10 -1.298 -10.431 -3.297
70 H GLU 11 H GLU 11 -2.266 -8.755 -1.728
71 HA GLU 11 HA GLU 11 -2.146 -6.445 -3.310
72 1HB GLU 11 2HB GLU 11 -4.112 -5.762 -1.992
73 2HB GLU 11 1HB GLU 11 -4.163 -7.497 -2.309
74 1HG GLU 11 2HG GLU 11 -3.705 -8.054 -0.113
75 2HG GLU 11 1HG GLU 11 -2.801 -6.570 0.186
76 H ILE 12 H ILE 12 -0.751 -6.987 -0.167
77 HA ILE 12 HA ILE 12 -0.609 -4.412 0.943
78 HB ILE 12 HB ILE 12 1.276 -6.773 0.859
79 1HG1 ILE 12 2HG1 ILE 12 -0.959 -6.886 2.046
80 2HG1 ILE 12 1HG1 ILE 12 0.435 -7.167 3.090
81 1HG2 ILE 12 1HG2 ILE 12 1.557 -4.178 2.400
82 2HG2 ILE 12 2HG2 ILE 12 2.706 -4.865 1.252
83 3HG2 ILE 12 3HG2 ILE 12 2.433 -5.654 2.805
84 1HD1 ILE 12 1HD1 ILE 12 -0.178 -4.336 2.927
85 2HD1 ILE 12 2HD1 ILE 12 -0.058 -5.369 4.353
86 3HD1 ILE 12 3HD1 ILE 12 -1.582 -5.254 3.472
87 H VAL 13 H VAL 13 1.889 -5.903 -1.163
88 HA VAL 13 HA VAL 13 3.629 -3.791 -1.529
89 HB VAL 13 HB VAL 13 2.489 -5.700 -3.597
90 1HG1 VAL 13 1HG1 VAL 13 4.886 -3.871 -3.597
91 2HG1 VAL 13 2HG1 VAL 13 3.670 -4.090 -4.854
92 3HG1 VAL 13 3HG1 VAL 13 4.874 -5.345 -4.564
93 1HG2 VAL 13 1HG2 VAL 13 5.152 -6.199 -2.474
94 2HG2 VAL 13 2HG2 VAL 13 3.789 -7.303 -2.658
95 3HG2 VAL 13 3HG2 VAL 13 3.877 -6.237 -1.256
96 H TYR 14 H TYR 14 0.724 -4.340 -3.571
97 HA TYR 14 HA TYR 14 0.935 -1.822 -4.959
98 1HB TYR 14 2HB TYR 14 -0.253 -3.805 -5.802
99 2HB TYR 14 1HB TYR 14 -1.395 -3.703 -4.461
100 HD1 TYR 14 1HD TYR 14 -3.419 -2.627 -4.852
101 HD2 TYR 14 2HD TYR 14 0.034 -1.493 -7.140
102 HE1 TYR 14 1HE TYR 14 -4.804 -1.028 -6.148
103 HE2 TYR 14 2HE TYR 14 -1.351 0.107 -8.435
104 HH TYR 14 HH TYR 14 -4.301 0.064 -8.850
105 H LYS 15 H LYS 15 -0.440 -2.757 -1.884
106 HA LYS 15 HA LYS 15 -2.300 -0.595 -1.543
107 1HB LYS 15 2HB LYS 15 -1.703 -2.877 -0.250
108 2HB LYS 15 1HB LYS 15 -0.808 -1.749 0.768
109 1HG LYS 15 2HG LYS 15 -2.738 -1.219 1.792
110 2HG LYS 15 1HG LYS 15 -3.304 -0.528 0.270
111 1HD LYS 15 2HD LYS 15 -4.477 -2.446 -0.325
112 2HD LYS 15 1HD LYS 15 -3.459 -3.497 0.661
113 1HE LYS 15 2HE LYS 15 -5.626 -3.298 1.761
114 2HE LYS 15 1HE LYS 15 -4.449 -2.370 2.713
115 1HZ LYS 15 1HZ LYS 15 -6.674 -1.266 1.924
116 2HZ LYS 15 2HZ LYS 15 -5.813 -1.048 0.476
117 3HZ LYS 15 3HZ LYS 15 -5.226 -0.384 1.925
118 H ILE 16 H ILE 16 1.055 -1.005 -0.342
119 HA ILE 16 HA ILE 16 1.287 1.599 0.820
120 HB ILE 16 HB ILE 16 3.390 -0.237 -0.378
121 1HG1 ILE 16 2HG1 ILE 16 2.872 -0.194 2.539
122 2HG1 ILE 16 1HG1 ILE 16 1.590 -0.906 1.560
123 1HG2 ILE 16 1HG2 ILE 16 3.580 2.336 0.818
124 2HG2 ILE 16 2HG2 ILE 16 4.899 1.253 0.374
125 3HG2 ILE 16 3HG2 ILE 16 4.197 1.172 1.990
126 1HD1 ILE 16 1HD1 ILE 16 4.255 -1.766 0.714
127 2HD1 ILE 16 2HD1 ILE 16 2.828 -2.735 1.084
128 3HD1 ILE 16 3HD1 ILE 16 3.898 -2.206 2.384
129 H ASN 17 H ASN 17 1.342 0.548 -2.480
130 HA ASN 17 HA ASN 17 2.978 2.670 -3.577
131 1HB ASN 17 2HB ASN 17 1.434 0.374 -4.419
132 2HB ASN 17 1HB ASN 17 1.112 1.742 -5.485
133 1HD2 ASN 17 1HD2 ASN 17 2.622 -0.588 -6.325
134 2HD2 ASN 17 2HD2 ASN 17 4.211 -0.083 -6.642
135 H LYS 18 H LYS 18 -0.568 2.193 -3.366
136 HA LYS 18 HA LYS 18 -1.308 4.668 -4.586
137 1HB LYS 18 2HB LYS 18 -3.478 4.124 -3.731
138 2HB LYS 18 1HB LYS 18 -2.688 2.581 -4.053
139 1HG LYS 18 2HG LYS 18 -1.888 3.063 -1.480
140 2HG LYS 18 1HG LYS 18 -3.498 3.782 -1.482
141 1HD LYS 18 2HD LYS 18 -2.999 1.027 -2.610
142 2HD LYS 18 1HD LYS 18 -3.341 1.278 -0.897
143 1HE LYS 18 2HE LYS 18 -5.527 1.989 -1.299
144 2HE LYS 18 1HE LYS 18 -5.156 2.525 -2.949
145 1HZ LYS 18 1HZ LYS 18 -4.519 0.004 -3.205
146 2HZ LYS 18 2HZ LYS 18 -6.125 0.525 -3.404
147 3HZ LYS 18 3HZ LYS 18 -5.635 -0.185 -1.942
148 H ILE 19 H ILE 19 -0.227 3.897 -1.345
149 HA ILE 19 HA ILE 19 -1.167 6.390 -0.142
150 HB ILE 19 HB ILE 19 0.745 4.185 0.681
151 1HG1 ILE 19 2HG1 ILE 19 -1.938 4.842 1.885
152 2HG1 ILE 19 1HG1 ILE 19 -1.834 3.869 0.416
153 1HG2 ILE 19 1HG2 ILE 19 -0.382 6.398 2.420
154 2HG2 ILE 19 2HG2 ILE 19 1.250 6.418 1.753
155 3HG2 ILE 19 3HG2 ILE 19 0.779 5.156 2.892
156 1HD1 ILE 19 1HD1 ILE 19 -0.282 2.317 1.594
157 2HD1 ILE 19 2HD1 ILE 19 -1.866 2.394 2.364
158 3HD1 ILE 19 3HD1 ILE 19 -0.499 3.258 3.069
159 H VAL 20 H VAL 20 2.056 5.098 -1.057
160 HA VAL 20 HA VAL 20 3.491 7.520 -0.454
161 HB VAL 20 HB VAL 20 4.174 5.355 -2.462
162 1HG1 VAL 20 1HG1 VAL 20 5.801 7.238 -0.738
163 2HG1 VAL 20 2HG1 VAL 20 5.748 7.177 -2.499
164 3HG1 VAL 20 3HG1 VAL 20 6.498 5.862 -1.594
165 1HG2 VAL 20 1HG2 VAL 20 3.505 4.999 0.243
166 2HG2 VAL 20 2HG2 VAL 20 5.267 4.994 0.204
167 3HG2 VAL 20 3HG2 VAL 20 4.361 3.853 -0.789
168 H GLU 21 H GLU 21 2.252 6.173 -3.532
169 HA GLU 21 HA GLU 21 3.133 7.981 -5.414
170 1HB GLU 21 2HB GLU 21 1.566 6.035 -5.705
171 2HB GLU 21 1HB GLU 21 0.263 7.049 -5.084
172 1HG GLU 21 2HG GLU 21 1.592 8.548 -7.101
173 2HG GLU 21 1HG GLU 21 1.311 6.933 -7.754
174 H ARG 22 H ARG 22 0.494 8.536 -3.077
175 HA ARG 22 HA ARG 22 -0.576 10.954 -3.913
176 1HB ARG 22 2HB ARG 22 -0.004 9.598 -1.342
177 2HB ARG 22 1HB ARG 22 -0.318 11.328 -1.214
178 1HG ARG 22 2HG ARG 22 -2.500 11.125 -1.895
179 2HG ARG 22 1HG ARG 22 -2.147 9.770 -2.969
180 1HD ARG 22 2HD ARG 22 -3.257 8.614 -1.293
181 2HD ARG 22 1HD ARG 22 -1.624 8.580 -0.598
182 HE ARG 22 HE ARG 22 -2.476 10.944 0.361
183 1HH1 ARG 22 1HH1 ARG 22 -2.707 8.284 1.909
184 2HH1 ARG 22 2HH1 ARG 22 -4.345 8.385 2.462
185 1HH2 ARG 22 1HH2 ARG 22 -5.207 10.934 0.275
186 2HH2 ARG 22 2HH2 ARG 22 -5.762 9.885 1.538
187 H ARG 23 H ARG 23 2.519 10.480 -2.197
188 HA ARG 23 HA ARG 23 3.301 13.097 -1.670
189 1HB ARG 23 2HB ARG 23 4.687 11.257 -1.048
190 2HB ARG 23 1HB ARG 23 4.790 10.678 -2.711
191 1HG ARG 23 2HG ARG 23 5.723 13.441 -2.397
192 2HG ARG 23 1HG ARG 23 6.670 12.280 -1.467
193 1HD ARG 23 2HD ARG 23 7.285 11.052 -3.396
194 2HD ARG 23 1HD ARG 23 5.984 11.768 -4.369
195 HE ARG 23 HE ARG 23 7.254 13.995 -3.955
196 1HH1 ARG 23 1HH2 ARG 23 9.126 11.472 -2.865
197 2HH1 ARG 23 2HH2 ARG 23 10.491 11.792 -3.881
198 1HH2 ARG 23 1HH1 ARG 23 8.843 14.171 -5.793
199 2HH2 ARG 23 2HH1 ARG 23 10.331 13.322 -5.538
200 H ARG 24 H ARG 24 3.813 11.355 -4.765
201 HA ARG 24 HA ARG 24 4.834 13.677 -6.158
202 1HB ARG 24 2HB ARG 24 4.996 11.083 -6.591
203 2HB ARG 24 1HB ARG 24 3.488 11.325 -7.473
204 1HG ARG 24 2HG ARG 24 4.582 12.231 -9.220
205 2HG ARG 24 1HG ARG 24 5.402 13.385 -8.167
206 1HD ARG 24 2HD ARG 24 7.041 11.922 -9.325
207 2HD ARG 24 1HD ARG 24 7.069 11.625 -7.574
208 HE ARG 24 HE ARG 24 5.454 9.707 -8.062
209 1HH1 ARG 24 1HH1 ARG 24 5.068 10.216 -10.965
210 2HH1 ARG 24 2HH1 ARG 24 6.195 9.119 -11.693
211 1HH2 ARG 24 1HH2 ARG 24 7.998 8.617 -8.773
212 2HH2 ARG 24 2HH2 ARG 24 7.852 8.213 -10.453
213 H ALA 25 H ALA 25 1.657 12.007 -6.244
214 HA ALA 25 HA ALA 25 0.260 13.569 -8.060
215 1HB ALA 25 1HB ALA 25 -0.321 12.069 -5.573
216 2HB ALA 25 2HB ALA 25 -1.101 11.965 -7.152
217 3HB ALA 25 3HB ALA 25 -1.555 13.244 -6.027
218 H GLU 26 H GLU 26 1.237 14.423 -4.773
219 HA GLU 26 HA GLU 26 -0.205 16.962 -4.778
220 1HB GLU 26 2HB GLU 26 1.592 15.389 -2.981
221 2HB GLU 26 1HB GLU 26 1.433 17.118 -2.671
222 1HG GLU 26 2HG GLU 26 -1.068 16.816 -2.696
223 2HG GLU 26 1HG GLU 26 -0.801 15.075 -2.785
224 H GLY 27 H GLY 27 3.029 15.795 -5.533
225 1HA GLY 27 2HA GLY 27 4.541 17.028 -6.964
226 2HA GLY 27 1HA GLY 27 3.719 18.519 -6.499
227 H ALA 28 H ALA 28 4.472 16.276 -3.977
228 HA ALA 28 HA ALA 28 5.879 18.053 -2.341
229 1HB ALA 28 1HB ALA 28 6.753 15.206 -2.395
230 2HB ALA 28 2HB ALA 28 5.024 15.495 -2.197
231 3HB ALA 28 3HB ALA 28 6.170 16.172 -1.040
232 H LYS 29 H LYS 29 8.320 17.703 -1.734
233 HA LYS 29 HA LYS 29 10.007 17.208 -4.145
234 1HB LYS 29 2HB LYS 29 11.160 19.428 -3.524
235 2HB LYS 29 1HB LYS 29 9.573 19.545 -4.284
236 1HG LYS 29 2HG LYS 29 8.500 20.067 -2.253
237 2HG LYS 29 1HG LYS 29 9.835 19.443 -1.284
238 1HD LYS 29 2HD LYS 29 11.201 21.335 -2.538
239 2HD LYS 29 1HD LYS 29 9.603 22.056 -2.730
240 1HE LYS 29 2HE LYS 29 9.242 21.987 -0.302
241 2HE LYS 29 1HE LYS 29 10.813 21.191 -0.077
242 1HZ LYS 29 1HZ LYS 29 11.206 23.491 0.199
243 2HZ LYS 29 2HZ LYS 29 10.286 23.897 -1.171
244 3HZ LYS 29 3HZ LYS 29 11.781 23.112 -1.352
245 H SER 30 H SER 30 9.450 16.395 -1.069
246 HA SER 30 HA SER 30 12.337 16.360 -0.271
247 1HB SER 30 2HB SER 30 9.865 15.920 1.426
248 2HB SER 30 1HB SER 30 11.500 16.260 1.990
249 HG SER 30 HG SER 30 10.899 18.269 1.893
250 H THR 31 H THR 31 13.326 14.373 -0.096
251 HA THR 31 HA THR 31 12.022 11.987 -1.072
252 HB THR 31 HB THR 31 14.504 11.860 0.576
253 HG1 THR 31 1HG THR 31 15.631 12.897 -1.149
254 1HG2 THR 31 1HG2 THR 31 15.224 10.397 -1.146
255 2HG2 THR 31 2HG2 THR 31 14.039 11.032 -2.289
256 3HG2 THR 31 3HG2 THR 31 13.510 10.033 -0.935
257 H ASP 32 H ASP 32 11.748 13.526 1.892
258 HA ASP 32 HA ASP 32 11.929 11.605 3.904
259 1HB ASP 32 2HB ASP 32 11.098 14.125 3.753
260 2HB ASP 32 1HB ASP 32 9.506 13.364 3.706
261 H VAL 33 H VAL 33 9.502 11.890 1.357
262 HA VAL 33 HA VAL 33 7.939 9.633 2.518
263 HB VAL 33 HB VAL 33 7.517 11.667 0.318
264 1HG1 VAL 33 1HG1 VAL 33 5.107 10.362 0.642
265 2HG1 VAL 33 2HG1 VAL 33 6.268 9.036 0.713
266 3HG1 VAL 33 3HG1 VAL 33 6.229 10.098 -0.694
267 1HG2 VAL 33 1HG2 VAL 33 6.073 12.692 1.793
268 2HG2 VAL 33 2HG2 VAL 33 7.153 11.937 2.967
269 3HG2 VAL 33 3HG2 VAL 33 5.616 11.172 2.563
270 H SER 34 H SER 34 7.841 7.630 1.488
271 HA SER 34 HA SER 34 8.630 7.158 -1.245
272 1HB SER 34 2HB SER 34 10.784 7.807 0.018
273 2HB SER 34 1HB SER 34 10.634 6.252 0.830
274 HG SER 34 HG SER 34 10.992 5.228 -1.035
275 H PHE 35 H PHE 35 8.521 4.845 -1.764
276 HA PHE 35 HA PHE 35 6.514 3.359 -0.512
277 1HB PHE 35 2HB PHE 35 7.751 3.026 -2.735
278 2HB PHE 35 1HB PHE 35 8.980 2.171 -1.802
279 HD1 PHE 35 1HD PHE 35 8.264 0.180 -0.374
280 HD2 PHE 35 2HD PHE 35 5.731 1.953 -3.356
281 HE1 PHE 35 1HE PHE 35 6.869 -1.869 -0.406
282 HE2 PHE 35 2HE PHE 35 4.336 -0.096 -3.390
283 HZ PHE 35 HZ PHE 35 4.905 -2.008 -1.914
284 H SER 36 H SER 36 10.016 2.651 -0.150
285 HA SER 36 HA SER 36 9.832 0.810 1.967
286 1HB SER 36 2HB SER 36 11.954 0.995 1.070
287 2HB SER 36 1HB SER 36 11.836 2.745 0.897
288 HG SER 36 HG SER 36 12.513 1.186 3.131
289 H SER 37 H SER 37 9.741 4.351 2.067
290 HA SER 37 HA SER 37 9.977 4.572 4.950
291 1HB SER 37 2HB SER 37 10.009 6.790 4.421
292 2HB SER 37 1HB SER 37 10.097 6.225 2.755
293 HG SER 37 HG SER 37 8.241 7.702 3.768
294 H ILE 38 H ILE 38 7.171 4.965 2.740
295 HA ILE 38 HA ILE 38 5.180 5.196 4.760
296 HB ILE 38 HB ILE 38 5.209 4.197 1.904
297 1HG1 ILE 38 2HG1 ILE 38 5.708 6.631 2.526
298 2HG1 ILE 38 1HG1 ILE 38 4.389 6.385 1.381
299 1HG2 ILE 38 1HG2 ILE 38 2.992 4.296 3.900
300 2HG2 ILE 38 2HG2 ILE 38 3.233 3.194 2.543
301 3HG2 ILE 38 3HG2 ILE 38 2.630 4.826 2.258
302 1HD1 ILE 38 1HD1 ILE 38 2.922 7.347 2.787
303 2HD1 ILE 38 2HD1 ILE 38 4.269 7.744 3.854
304 3HD1 ILE 38 3HD1 ILE 38 3.379 6.238 4.081
305 H SER 39 H SER 39 6.335 2.301 2.994
306 HA SER 39 HA SER 39 4.654 0.327 4.005
307 1HB SER 39 2HB SER 39 6.423 -1.159 3.433
308 2HB SER 39 1HB SER 39 6.669 0.243 2.395
309 HG SER 39 HG SER 39 8.497 -0.700 3.766
310 H THR 40 H THR 40 7.549 1.691 5.600
311 HA THR 40 HA THR 40 7.692 0.094 7.892
312 HB THR 40 HB THR 40 8.055 3.083 7.518
313 HG1 THR 40 1HG THR 40 10.082 1.158 7.724
314 1HG2 THR 40 1HG2 THR 40 8.729 1.237 9.799
315 2HG2 THR 40 2HG2 THR 40 7.960 2.823 9.856
316 3HG2 THR 40 3HG2 THR 40 9.684 2.690 9.499
317 H MET 41 H MET 41 6.101 3.305 7.955
318 HA MET 41 HA MET 41 4.672 2.961 10.348
319 1HB MET 41 2HB MET 41 3.314 4.808 9.506
320 2HB MET 41 1HB MET 41 4.984 5.051 8.996
321 1HG MET 41 2HG MET 41 4.525 4.546 6.775
322 2HG MET 41 1HG MET 41 3.134 3.544 7.182
323 1HE MET 41 1HE MET 41 0.665 5.439 5.742
324 2HE MET 41 2HE MET 41 0.397 4.864 7.385
325 3HE MET 41 3HE MET 41 1.424 3.939 6.292
326 H LEU 42 H LEU 42 4.039 1.618 7.191
327 HA LEU 42 HA LEU 42 1.242 1.025 7.531
328 1HB LEU 42 2HB LEU 42 3.344 0.700 5.628
329 2HB LEU 42 1HB LEU 42 2.584 -0.876 5.860
330 HG LEU 42 HG LEU 42 0.413 0.823 5.773
331 1HD1 LEU 42 1HD1 LEU 42 2.679 2.087 4.427
332 2HD1 LEU 42 2HD1 LEU 42 1.100 2.760 4.831
333 3HD1 LEU 42 3HD1 LEU 42 1.310 1.835 3.344
334 1HD2 LEU 42 1HD2 LEU 42 0.648 -0.008 3.171
335 2HD2 LEU 42 2HD2 LEU 42 0.059 -1.023 4.487
336 3HD2 LEU 42 3HD2 LEU 42 1.749 -1.115 3.991
337 H LEU 43 H LEU 43 3.967 -1.316 7.515
338 HA LEU 43 HA LEU 43 2.418 -3.362 8.830
339 1HB LEU 43 2HB LEU 43 4.282 -3.877 7.368
340 2HB LEU 43 1HB LEU 43 5.389 -2.958 8.392
341 HG LEU 43 HG LEU 43 4.109 -4.746 10.132
342 1HD1 LEU 43 1HD1 LEU 43 3.355 -6.355 8.685
343 2HD1 LEU 43 2HD1 LEU 43 5.041 -6.870 8.732
344 3HD1 LEU 43 3HD1 LEU 43 4.463 -5.867 7.401
345 1HD2 LEU 43 1HD2 LEU 43 6.428 -4.050 10.327
346 2HD2 LEU 43 2HD2 LEU 43 6.831 -4.812 8.789
347 3HD2 LEU 43 3HD2 LEU 43 6.394 -5.807 10.177
348 H GLU 44 H GLU 44 4.495 -0.773 10.041
349 HA GLU 44 HA GLU 44 4.929 -1.870 12.673
350 1HB GLU 44 2HB GLU 44 5.127 0.748 11.255
351 2HB GLU 44 1HB GLU 44 5.034 0.817 13.015
352 1HG GLU 44 2HG GLU 44 6.906 -0.863 13.108
353 2HG GLU 44 1HG GLU 44 7.064 -0.706 11.359
354 H LEU 45 H LEU 45 2.438 0.090 11.160
355 HA LEU 45 HA LEU 45 0.842 0.104 13.672
356 1HB LEU 45 2HB LEU 45 0.319 2.188 12.952
357 2HB LEU 45 1HB LEU 45 1.474 1.958 11.649
358 HG LEU 45 HG LEU 45 -0.545 0.751 10.457
359 1HD1 LEU 45 1HD1 LEU 45 -1.831 1.199 12.761
360 2HD1 LEU 45 2HD1 LEU 45 -2.671 1.225 11.211
361 3HD1 LEU 45 3HD1 LEU 45 -2.177 2.737 11.970
362 1HD2 LEU 45 1HD2 LEU 45 -0.192 3.730 10.838
363 2HD2 LEU 45 2HD2 LEU 45 -1.313 3.055 9.656
364 3HD2 LEU 45 3HD2 LEU 45 0.416 2.729 9.520
365 H GLY 46 H GLY 46 1.313 -1.992 11.238
366 1HA GLY 46 2HA GLY 46 0.004 -3.682 10.270
367 2HA GLY 46 1HA GLY 46 -1.153 -3.383 11.570
368 H LEU 47 H LEU 47 -0.200 -0.782 9.489
369 HA LEU 47 HA LEU 47 -1.643 0.676 8.272
370 1HB LEU 47 2HB LEU 47 -2.042 -0.360 6.132
371 2HB LEU 47 1HB LEU 47 -0.556 -1.053 6.776
372 HG LEU 47 HG LEU 47 -3.048 -2.483 7.510
373 1HD1 LEU 47 1HD1 LEU 47 -2.382 -1.841 4.739
374 2HD1 LEU 47 2HD1 LEU 47 -3.837 -2.587 5.397
375 3HD1 LEU 47 3HD1 LEU 47 -2.426 -3.580 5.034
376 1HD2 LEU 47 1HD2 LEU 47 -1.543 -4.135 7.853
377 2HD2 LEU 47 2HD2 LEU 47 -0.286 -2.941 7.527
378 3HD2 LEU 47 3HD2 LEU 47 -0.893 -3.960 6.223
379 H ARG 48 H ARG 48 -3.048 -0.536 10.570
380 HA ARG 48 HA ARG 48 -5.651 -1.481 9.683
381 1HB ARG 48 2HB ARG 48 -4.383 -1.854 11.897
382 2HB ARG 48 1HB ARG 48 -4.942 -0.242 12.349
383 1HG ARG 48 2HG ARG 48 -7.277 -0.941 11.999
384 2HG ARG 48 1HG ARG 48 -6.731 -2.549 11.523
385 1HD ARG 48 2HD ARG 48 -5.700 -2.854 13.766
386 2HD ARG 48 1HD ARG 48 -6.315 -1.260 14.246
387 HE ARG 48 HE ARG 48 -8.140 -3.455 13.331
388 1HH1 ARG 48 1HH2 ARG 48 -9.098 -0.593 13.793
389 2HH1 ARG 48 2HH2 ARG 48 -9.764 -0.719 15.388
390 1HH2 ARG 48 1HH1 ARG 48 -8.206 -3.737 16.086
391 2HH2 ARG 48 2HH1 ARG 48 -9.259 -2.499 16.684
392 H VAL 49 H VAL 49 -4.228 1.647 9.965
393 HA VAL 49 HA VAL 49 -6.380 3.302 10.693
394 HB VAL 49 HB VAL 49 -5.174 4.916 9.057
395 1HG1 VAL 49 1HG1 VAL 49 -3.969 5.428 10.889
396 2HG1 VAL 49 2HG1 VAL 49 -3.021 3.949 10.745
397 3HG1 VAL 49 3HG1 VAL 49 -4.556 3.933 11.614
398 1HG2 VAL 49 1HG2 VAL 49 -3.235 4.180 7.969
399 2HG2 VAL 49 2HG2 VAL 49 -4.305 2.793 7.770
400 3HG2 VAL 49 3HG2 VAL 49 -3.062 2.774 9.021
401 H TYR 50 H TYR 50 -5.726 4.010 7.404
402 HA TYR 50 HA TYR 50 -8.316 4.261 6.501
403 1HB TYR 50 2HB TYR 50 -7.201 3.541 4.229
404 2HB TYR 50 1HB TYR 50 -6.617 4.980 5.063
405 HD1 TYR 50 1HD TYR 50 -6.004 1.297 4.753
406 HD2 TYR 50 2HD TYR 50 -4.361 5.153 5.696
407 HE1 TYR 50 1HE TYR 50 -3.742 0.295 4.912
408 HE2 TYR 50 2HE TYR 50 -2.099 4.150 5.854
409 HH TYR 50 HH TYR 50 -1.280 1.549 6.410
410 H GLU 51 H GLU 51 -6.505 1.207 6.777
411 HA GLU 51 HA GLU 51 -8.284 -0.435 5.284
412 1HB GLU 51 2HB GLU 51 -5.880 -0.639 6.494
413 2HB GLU 51 1HB GLU 51 -6.875 -1.501 7.665
414 1HG GLU 51 2HG GLU 51 -7.597 -2.271 4.981
415 2HG GLU 51 1HG GLU 51 -5.864 -2.486 5.227
416 H ALA 52 H ALA 52 -8.733 1.157 8.281
417 HA ALA 52 HA ALA 52 -10.346 -0.719 9.714
418 1HB ALA 52 1HB ALA 52 -10.836 2.249 9.716
419 2HB ALA 52 2HB ALA 52 -9.288 1.630 10.289
420 3HB ALA 52 3HB ALA 52 -10.785 1.134 11.081
421 H GLN 53 H GLN 53 -11.328 1.974 7.562
422 HA GLN 53 HA GLN 53 -14.091 0.999 7.490
423 1HB GLN 53 2HB GLN 53 -12.657 3.255 6.058
424 2HB GLN 53 1HB GLN 53 -14.407 3.042 6.134
425 1HG GLN 53 2HG GLN 53 -14.188 3.109 8.667
426 2HG GLN 53 1HG GLN 53 -12.520 3.626 8.427
427 1HE2 GLN 53 1HE2 GLN 53 -15.868 4.657 8.266
428 2HE2 GLN 53 2HE2 GLN 53 -15.552 6.270 7.842
429 H MET 54 H MET 54 -11.215 0.406 5.760
430 HA MET 54 HA MET 54 -12.614 -0.250 3.221
431 1HB MET 54 2HB MET 54 -9.737 -0.094 4.152
432 2HB MET 54 1HB MET 54 -10.175 -0.709 2.557
433 1HG MET 54 2HG MET 54 -11.408 1.877 3.340
434 2HG MET 54 1HG MET 54 -9.672 1.905 3.030
435 1HE MET 54 1HE MET 54 -12.479 2.835 0.028
436 2HE MET 54 2HE MET 54 -11.392 3.689 1.120
437 3HE MET 54 3HE MET 54 -12.720 2.738 1.778
438 H GLU 55 H GLU 55 -12.902 -1.832 5.817
439 HA GLU 55 HA GLU 55 -11.479 -4.286 5.711
440 1HB GLU 55 2HB GLU 55 -14.153 -3.352 6.726
441 2HB GLU 55 1HB GLU 55 -13.729 -5.061 6.834
442 1HG GLU 55 2HG GLU 55 -11.888 -2.884 7.837
443 2HG GLU 55 1HG GLU 55 -13.123 -3.614 8.862
444 H ARG 56 H ARG 56 -13.044 -6.406 5.337
445 HA ARG 56 HA ARG 56 -13.308 -6.697 2.505
446 1HB ARG 56 2HB ARG 56 -14.261 -8.217 4.936
447 2HB ARG 56 1HB ARG 56 -14.599 -8.794 3.305
448 1HG ARG 56 2HG ARG 56 -11.817 -8.011 3.567
449 2HG ARG 56 1HG ARG 56 -12.248 -9.222 4.775
450 1HD ARG 56 2HD ARG 56 -13.121 -9.610 1.918
451 2HD ARG 56 1HD ARG 56 -11.471 -10.046 2.409
452 HE ARG 56 HE ARG 56 -13.897 -11.107 3.816
453 1HH1 ARG 56 1HH2 ARG 56 -10.899 -11.349 4.701
454 2HH1 ARG 56 2HH2 ARG 56 -10.597 -12.995 4.253
455 1HH2 ARG 56 1HH1 ARG 56 -13.441 -13.259 2.287
456 2HH2 ARG 56 2HH1 ARG 56 -12.036 -14.075 2.886
Start of MODEL 7
1 1H ALA 2 1H ALA 2 18.737 -14.457 -17.412
2 2H ALA 2 2H ALA 2 19.142 -13.038 -16.571
3 3H ALA 2 3H ALA 2 17.517 -13.385 -16.924
4 HA ALA 2 HA ALA 2 18.035 -15.554 -15.545
5 1HB ALA 2 1HB ALA 2 20.062 -13.438 -14.774
6 2HB ALA 2 2HB ALA 2 20.381 -15.090 -15.301
7 3HB ALA 2 3HB ALA 2 19.656 -14.793 -13.721
8 H LYS 3 H LYS 3 15.813 -15.000 -15.132
9 HA LYS 3 HA LYS 3 15.450 -12.962 -12.961
10 1HB LYS 3 2HB LYS 3 14.152 -13.307 -15.625
11 2HB LYS 3 1HB LYS 3 13.116 -12.802 -14.290
12 1HG LYS 3 2HG LYS 3 14.248 -10.796 -13.987
13 2HG LYS 3 1HG LYS 3 15.744 -11.417 -14.686
14 1HD LYS 3 2HD LYS 3 13.740 -11.570 -16.703
15 2HD LYS 3 1HD LYS 3 13.651 -9.959 -15.990
16 1HE LYS 3 2HE LYS 3 16.353 -11.092 -16.667
17 2HE LYS 3 1HE LYS 3 15.350 -10.399 -17.960
18 1HZ LYS 3 1HZ LYS 3 15.955 -9.054 -15.378
19 2HZ LYS 3 2HZ LYS 3 15.080 -8.398 -16.678
20 3HZ LYS 3 3HZ LYS 3 16.740 -8.716 -16.844
21 H VAL 4 H VAL 4 13.370 -13.368 -11.737
22 HA VAL 4 HA VAL 4 12.854 -16.311 -11.524
23 HB VAL 4 HB VAL 4 12.693 -13.996 -9.574
24 1HG1 VAL 4 1HG1 VAL 4 11.146 -16.358 -9.576
25 2HG1 VAL 4 2HG1 VAL 4 11.345 -15.217 -8.246
26 3HG1 VAL 4 3HG1 VAL 4 12.415 -16.612 -8.378
27 1HG2 VAL 4 1HG2 VAL 4 14.798 -15.685 -10.367
28 2HG2 VAL 4 2HG2 VAL 4 14.260 -16.320 -8.812
29 3HG2 VAL 4 3HG2 VAL 4 14.767 -14.637 -8.949
30 H GLN 5 H GLN 5 10.728 -17.033 -11.713
31 HA GLN 5 HA GLN 5 8.756 -15.691 -13.129
32 1HB GLN 5 2HB GLN 5 8.709 -17.805 -10.979
33 2HB GLN 5 1HB GLN 5 7.212 -17.279 -11.749
34 1HG GLN 5 2HG GLN 5 7.791 -18.166 -13.803
35 2HG GLN 5 1HG GLN 5 9.520 -17.967 -13.517
36 1HE2 GLN 5 1HE2 GLN 5 7.021 -19.633 -11.522
37 2HE2 GLN 5 2HE2 GLN 5 7.813 -21.134 -11.520
38 H ALA 6 H ALA 6 6.559 -14.948 -12.223
39 HA ALA 6 HA ALA 6 6.909 -13.388 -9.685
40 1HB ALA 6 1HB ALA 6 6.228 -12.578 -12.468
41 2HB ALA 6 2HB ALA 6 7.083 -11.678 -11.216
42 3HB ALA 6 3HB ALA 6 5.323 -11.785 -11.179
43 H TYR 7 H TYR 7 5.525 -14.641 -8.392
44 HA TYR 7 HA TYR 7 2.802 -15.259 -9.463
45 1HB TYR 7 2HB TYR 7 4.751 -16.482 -7.617
46 2HB TYR 7 1HB TYR 7 3.084 -16.544 -7.045
47 HD1 TYR 7 1HD TYR 7 1.447 -16.867 -9.359
48 HD2 TYR 7 2HD TYR 7 5.341 -18.515 -8.598
49 HE1 TYR 7 1HE TYR 7 0.972 -18.719 -10.937
50 HE2 TYR 7 2HE TYR 7 4.864 -20.368 -10.178
51 HH TYR 7 HH TYR 7 2.596 -21.512 -11.037
52 H VAL 8 H VAL 8 1.347 -15.444 -7.163
53 HA VAL 8 HA VAL 8 0.782 -12.693 -6.493
54 HB VAL 8 HB VAL 8 -0.940 -14.394 -6.545
55 1HG1 VAL 8 1HG1 VAL 8 1.081 -15.975 -5.324
56 2HG1 VAL 8 2HG1 VAL 8 -0.520 -16.493 -5.854
57 3HG1 VAL 8 3HG1 VAL 8 -0.280 -15.925 -4.202
58 1HG2 VAL 8 1HG2 VAL 8 -0.842 -14.149 -3.613
59 2HG2 VAL 8 2HG2 VAL 8 -2.058 -13.566 -4.748
60 3HG2 VAL 8 3HG2 VAL 8 -0.597 -12.623 -4.461
61 H SER 9 H SER 9 2.778 -11.867 -5.571
62 HA SER 9 HA SER 9 3.863 -13.139 -3.139
63 1HB SER 9 2HB SER 9 5.665 -11.693 -3.515
64 2HB SER 9 1HB SER 9 5.041 -11.907 -5.148
65 HG SER 9 HG SER 9 5.274 -9.725 -4.786
66 H ASP 10 H ASP 10 4.583 -10.771 -1.761
67 HA ASP 10 HA ASP 10 2.402 -10.331 -0.027
68 1HB ASP 10 2HB ASP 10 4.847 -8.682 -0.725
69 2HB ASP 10 1HB ASP 10 3.806 -8.333 0.656
70 H GLU 11 H GLU 11 0.608 -9.953 -1.591
71 HA GLU 11 HA GLU 11 0.255 -8.002 -3.493
72 1HB GLU 11 2HB GLU 11 -1.327 -9.650 -1.955
73 2HB GLU 11 1HB GLU 11 -1.882 -8.051 -1.462
74 1HG GLU 11 2HG GLU 11 -2.743 -7.559 -3.528
75 2HG GLU 11 1HG GLU 11 -1.489 -8.463 -4.379
76 H ILE 12 H ILE 12 0.539 -7.470 -0.006
77 HA ILE 12 HA ILE 12 -0.382 -4.824 0.237
78 HB ILE 12 HB ILE 12 1.846 -6.415 1.515
79 1HG1 ILE 12 2HG1 ILE 12 -0.944 -5.537 2.294
80 2HG1 ILE 12 1HG1 ILE 12 -0.335 -7.182 2.119
81 1HG2 ILE 12 1HG2 ILE 12 1.969 -4.623 3.239
82 2HG2 ILE 12 2HG2 ILE 12 0.908 -3.622 2.248
83 3HG2 ILE 12 3HG2 ILE 12 2.512 -4.059 1.659
84 1HD1 ILE 12 1HD1 ILE 12 -0.090 -7.068 4.383
85 2HD1 ILE 12 2HD1 ILE 12 -0.070 -5.305 4.390
86 3HD1 ILE 12 3HD1 ILE 12 1.393 -6.201 3.986
87 H VAL 13 H VAL 13 2.593 -6.031 -1.221
88 HA VAL 13 HA VAL 13 4.271 -3.824 -1.273
89 HB VAL 13 HB VAL 13 4.852 -5.928 -2.297
90 1HG1 VAL 13 1HG1 VAL 13 3.585 -7.034 -3.864
91 2HG1 VAL 13 2HG1 VAL 13 3.051 -5.543 -4.638
92 3HG1 VAL 13 3HG1 VAL 13 2.294 -6.076 -3.137
93 1HG2 VAL 13 1HG2 VAL 13 5.745 -3.751 -3.300
94 2HG2 VAL 13 2HG2 VAL 13 4.571 -3.980 -4.596
95 3HG2 VAL 13 3HG2 VAL 13 5.843 -5.174 -4.336
96 H TYR 14 H TYR 14 1.558 -4.410 -3.554
97 HA TYR 14 HA TYR 14 1.860 -1.846 -4.875
98 1HB TYR 14 2HB TYR 14 0.664 -4.192 -5.452
99 2HB TYR 14 1HB TYR 14 -0.738 -3.311 -4.841
100 HD1 TYR 14 1HD TYR 14 -0.588 -0.655 -5.666
101 HD2 TYR 14 2HD TYR 14 0.858 -4.110 -7.769
102 HE1 TYR 14 1HE TYR 14 -0.747 0.583 -7.809
103 HE2 TYR 14 2HE TYR 14 0.699 -2.872 -9.913
104 HH TYR 14 HH TYR 14 -1.019 -0.463 -10.521
105 H LYS 15 H LYS 15 -0.028 -3.046 -2.142
106 HA LYS 15 HA LYS 15 -1.913 -0.957 -1.855
107 1HB LYS 15 2HB LYS 15 -1.563 -3.207 -0.613
108 2HB LYS 15 1HB LYS 15 -0.470 -2.299 0.435
109 1HG LYS 15 2HG LYS 15 -2.226 -0.798 1.103
110 2HG LYS 15 1HG LYS 15 -3.319 -1.438 -0.125
111 1HD LYS 15 2HD LYS 15 -3.596 -3.487 1.022
112 2HD LYS 15 1HD LYS 15 -2.165 -3.221 2.019
113 1HE LYS 15 2HE LYS 15 -3.282 -1.844 3.491
114 2HE LYS 15 1HE LYS 15 -4.348 -1.193 2.230
115 1HZ LYS 15 1HZ LYS 15 -4.549 -3.735 3.694
116 2HZ LYS 15 2HZ LYS 15 -5.153 -3.646 2.109
117 3HZ LYS 15 3HZ LYS 15 -5.767 -2.619 3.314
118 H ILE 16 H ILE 16 1.375 -1.210 -0.442
119 HA ILE 16 HA ILE 16 1.436 1.227 0.971
120 HB ILE 16 HB ILE 16 3.610 -0.195 -0.603
121 1HG1 ILE 16 2HG1 ILE 16 2.436 -1.627 1.042
122 2HG1 ILE 16 1HG1 ILE 16 4.089 -1.288 1.557
123 1HG2 ILE 16 1HG2 ILE 16 4.325 1.229 1.864
124 2HG2 ILE 16 2HG2 ILE 16 3.751 2.296 0.583
125 3HG2 ILE 16 3HG2 ILE 16 5.126 1.231 0.294
126 1HD1 ILE 16 1HD1 ILE 16 1.519 -0.385 2.735
127 2HD1 ILE 16 2HD1 ILE 16 2.817 0.809 2.701
128 3HD1 ILE 16 3HD1 ILE 16 3.058 -0.733 3.523
129 H ASN 17 H ASN 17 2.328 0.622 -2.445
130 HA ASN 17 HA ASN 17 3.236 3.118 -3.252
131 1HB ASN 17 2HB ASN 17 1.436 1.061 -4.541
132 2HB ASN 17 1HB ASN 17 1.995 2.476 -5.433
133 1HD2 ASN 17 1HD2 ASN 17 2.871 0.047 -6.405
134 2HD2 ASN 17 2HD2 ASN 17 4.507 -0.200 -6.023
135 H LYS 18 H LYS 18 -0.212 2.119 -3.238
136 HA LYS 18 HA LYS 18 -1.474 4.434 -4.066
137 1HB LYS 18 2HB LYS 18 -2.066 2.390 -1.933
138 2HB LYS 18 1HB LYS 18 -3.202 3.705 -2.240
139 1HG LYS 18 2HG LYS 18 -3.947 2.725 -4.129
140 2HG LYS 18 1HG LYS 18 -2.302 2.491 -4.725
141 1HD LYS 18 2HD LYS 18 -2.531 0.289 -4.317
142 2HD LYS 18 1HD LYS 18 -2.614 0.666 -2.595
143 1HE LYS 18 2HE LYS 18 -4.801 0.082 -2.549
144 2HE LYS 18 1HE LYS 18 -5.163 1.244 -3.842
145 1HZ LYS 18 1HZ LYS 18 -4.871 -0.304 -5.455
146 2HZ LYS 18 2HZ LYS 18 -5.348 -1.361 -4.214
147 3HZ LYS 18 3HZ LYS 18 -3.701 -1.169 -4.585
148 H ILE 19 H ILE 19 -0.171 3.815 -0.798
149 HA ILE 19 HA ILE 19 -1.029 6.406 0.238
150 HB ILE 19 HB ILE 19 1.022 4.432 1.289
151 1HG1 ILE 19 2HG1 ILE 19 -1.189 3.381 0.712
152 2HG1 ILE 19 1HG1 ILE 19 -0.822 3.336 2.436
153 1HG2 ILE 19 1HG2 ILE 19 -0.657 5.729 3.247
154 2HG2 ILE 19 2HG2 ILE 19 0.121 6.942 2.230
155 3HG2 ILE 19 3HG2 ILE 19 1.100 5.764 3.103
156 1HD1 ILE 19 1HD1 ILE 19 -2.467 4.847 2.967
157 2HD1 ILE 19 2HD1 ILE 19 -3.187 4.210 1.488
158 3HD1 ILE 19 3HD1 ILE 19 -2.292 5.729 1.449
159 H VAL 20 H VAL 20 1.923 5.078 -1.187
160 HA VAL 20 HA VAL 20 3.656 7.284 -0.474
161 HB VAL 20 HB VAL 20 3.881 5.398 -2.833
162 1HG1 VAL 20 1HG1 VAL 20 6.137 5.870 -2.784
163 2HG1 VAL 20 2HG1 VAL 20 6.143 6.172 -1.047
164 3HG1 VAL 20 3HG1 VAL 20 5.524 7.398 -2.153
165 1HG2 VAL 20 1HG2 VAL 20 5.263 4.305 -0.653
166 2HG2 VAL 20 2HG2 VAL 20 3.768 3.691 -1.359
167 3HG2 VAL 20 3HG2 VAL 20 3.706 4.801 0.008
168 H GLU 21 H GLU 21 1.920 6.432 -3.490
169 HA GLU 21 HA GLU 21 2.714 8.591 -5.106
170 1HB GLU 21 2HB GLU 21 0.909 6.469 -5.159
171 2HB GLU 21 1HB GLU 21 -0.119 7.891 -5.330
172 1HG GLU 21 2HG GLU 21 0.468 7.481 -7.550
173 2HG GLU 21 1HG GLU 21 1.706 8.645 -7.072
174 H ARG 22 H ARG 22 -0.215 8.446 -3.028
175 HA ARG 22 HA ARG 22 -1.244 10.998 -3.401
176 1HB ARG 22 2HB ARG 22 -1.388 8.873 -1.509
177 2HB ARG 22 1HB ARG 22 -1.241 10.375 -0.595
178 1HG ARG 22 2HG ARG 22 -3.540 10.304 -0.917
179 2HG ARG 22 1HG ARG 22 -3.046 11.231 -2.334
180 1HD ARG 22 2HD ARG 22 -4.518 9.528 -3.168
181 2HD ARG 22 1HD ARG 22 -2.882 8.955 -3.551
182 HE ARG 22 HE ARG 22 -3.187 7.233 -1.964
183 1HH1 ARG 22 1HH2 ARG 22 -6.175 8.403 -2.325
184 2HH1 ARG 22 2HH2 ARG 22 -6.698 8.234 -0.685
185 1HH2 ARG 22 1HH1 ARG 22 -3.516 7.625 0.549
186 2HH2 ARG 22 2HH1 ARG 22 -5.194 7.795 0.944
187 H ARG 23 H ARG 23 1.308 10.117 -1.039
188 HA ARG 23 HA ARG 23 1.818 12.598 0.123
189 1HB ARG 23 2HB ARG 23 3.588 10.307 -0.747
190 2HB ARG 23 1HB ARG 23 4.239 11.680 0.149
191 1HG ARG 23 2HG ARG 23 1.760 10.422 1.222
192 2HG ARG 23 1HG ARG 23 3.260 9.510 1.389
193 1HD ARG 23 2HD ARG 23 3.482 10.780 3.299
194 2HD ARG 23 1HD ARG 23 4.102 11.994 2.161
195 HE ARG 23 HE ARG 23 2.101 13.203 2.475
196 1HH1 ARG 23 1HH1 ARG 23 1.822 11.433 5.015
197 2HH1 ARG 23 2HH1 ARG 23 0.167 10.949 4.865
198 1HH2 ARG 23 1HH2 ARG 23 -0.094 11.918 1.546
199 2HH2 ARG 23 2HH2 ARG 23 -0.920 11.224 2.901
200 H ARG 24 H ARG 24 3.916 11.405 -2.519
201 HA ARG 24 HA ARG 24 4.913 13.977 -3.235
202 1HB ARG 24 2HB ARG 24 5.042 11.217 -4.097
203 2HB ARG 24 1HB ARG 24 4.946 12.281 -5.501
204 1HG ARG 24 2HG ARG 24 6.967 13.286 -5.051
205 2HG ARG 24 1HG ARG 24 6.792 13.094 -3.306
206 1HD ARG 24 2HD ARG 24 7.149 10.602 -3.636
207 2HD ARG 24 1HD ARG 24 7.587 10.966 -5.317
208 HE ARG 24 HE ARG 24 9.185 11.631 -2.952
209 1HH1 ARG 24 1HH2 ARG 24 9.385 11.100 -6.188
210 2HH1 ARG 24 2HH2 ARG 24 10.457 12.412 -6.551
211 1HH2 ARG 24 1HH1 ARG 24 10.157 13.875 -3.423
212 2HH2 ARG 24 2HH1 ARG 24 10.896 13.981 -4.986
213 H ALA 25 H ALA 25 2.262 12.040 -4.658
214 HA ALA 25 HA ALA 25 1.499 13.581 -6.829
215 1HB ALA 25 1HB ALA 25 0.264 11.629 -6.345
216 2HB ALA 25 2HB ALA 25 -0.890 12.914 -5.987
217 3HB ALA 25 3HB ALA 25 -0.021 12.117 -4.675
218 H GLU 26 H GLU 26 0.858 14.266 -3.396
219 HA GLU 26 HA GLU 26 -0.523 16.774 -4.065
220 1HB GLU 26 2HB GLU 26 0.182 15.414 -1.449
221 2HB GLU 26 1HB GLU 26 -0.879 16.815 -1.608
222 1HG GLU 26 2HG GLU 26 -1.977 15.082 -3.431
223 2HG GLU 26 1HG GLU 26 -1.423 13.973 -2.176
224 H GLY 27 H GLY 27 2.646 15.671 -3.169
225 1HA GLY 27 2HA GLY 27 4.651 16.894 -3.001
226 2HA GLY 27 1HA GLY 27 3.747 18.343 -3.445
227 H ALA 28 H ALA 28 3.141 16.160 -0.705
228 HA ALA 28 HA ALA 28 3.443 18.523 1.107
229 1HB ALA 28 1HB ALA 28 2.146 15.896 1.800
230 2HB ALA 28 2HB ALA 28 1.295 17.054 0.778
231 3HB ALA 28 3HB ALA 28 1.774 17.507 2.414
232 H LYS 29 H LYS 29 5.818 17.235 0.286
233 HA LYS 29 HA LYS 29 7.176 16.722 2.703
234 1HB LYS 29 2HB LYS 29 5.463 14.579 1.775
235 2HB LYS 29 1HB LYS 29 7.143 14.040 1.809
236 1HG LYS 29 2HG LYS 29 6.966 15.425 4.168
237 2HG LYS 29 1HG LYS 29 5.349 14.735 4.042
238 1HD LYS 29 2HD LYS 29 6.556 12.517 3.473
239 2HD LYS 29 1HD LYS 29 7.998 13.299 4.122
240 1HE LYS 29 2HE LYS 29 6.794 11.986 5.871
241 2HE LYS 29 1HE LYS 29 6.810 13.719 6.258
242 1HZ LYS 29 1HZ LYS 29 4.631 13.967 5.711
243 2HZ LYS 29 2HZ LYS 29 4.570 12.342 6.203
244 3HZ LYS 29 3HZ LYS 29 4.654 12.730 4.551
245 H SER 30 H SER 30 9.329 16.885 2.165
246 HA SER 30 HA SER 30 10.273 17.162 -0.491
247 1HB SER 30 2HB SER 30 11.331 16.883 2.241
248 2HB SER 30 1HB SER 30 12.452 16.342 0.995
249 HG SER 30 HG SER 30 11.569 18.498 0.002
250 H THR 31 H THR 31 12.523 15.450 -0.647
251 HA THR 31 HA THR 31 11.332 13.069 -1.801
252 HB THR 31 HB THR 31 13.728 12.513 -2.206
253 HG1 THR 31 1HG THR 31 15.263 14.018 -1.409
254 1HG2 THR 31 1HG2 THR 31 13.282 15.468 -2.647
255 2HG2 THR 31 2HG2 THR 31 12.409 14.239 -3.562
256 3HG2 THR 31 3HG2 THR 31 14.168 14.336 -3.670
257 H ASP 32 H ASP 32 10.450 12.989 0.803
258 HA ASP 32 HA ASP 32 12.259 11.121 2.266
259 1HB ASP 32 2HB ASP 32 11.058 13.331 3.128
260 2HB ASP 32 1HB ASP 32 9.692 12.236 3.343
261 H VAL 33 H VAL 33 9.117 11.380 0.702
262 HA VAL 33 HA VAL 33 8.000 8.919 1.734
263 HB VAL 33 HB VAL 33 7.452 10.563 -0.760
264 1HG1 VAL 33 1HG1 VAL 33 5.646 8.581 0.655
265 2HG1 VAL 33 2HG1 VAL 33 6.565 8.201 -0.802
266 3HG1 VAL 33 3HG1 VAL 33 5.311 9.442 -0.848
267 1HG2 VAL 33 1HG2 VAL 33 6.096 11.897 0.534
268 2HG2 VAL 33 2HG2 VAL 33 7.235 11.413 1.790
269 3HG2 VAL 33 3HG2 VAL 33 5.685 10.585 1.640
270 H SER 34 H SER 34 7.685 6.940 0.475
271 HA SER 34 HA SER 34 8.836 6.321 -2.030
272 1HB SER 34 2HB SER 34 10.699 6.600 0.231
273 2HB SER 34 1HB SER 34 10.868 5.072 -0.630
274 HG SER 34 HG SER 34 11.916 6.214 -2.044
275 H PHE 35 H PHE 35 8.468 4.108 -2.522
276 HA PHE 35 HA PHE 35 6.555 2.622 -1.181
277 1HB PHE 35 2HB PHE 35 7.340 2.024 -3.376
278 2HB PHE 35 1HB PHE 35 8.981 1.767 -2.782
279 HD1 PHE 35 1HD PHE 35 9.639 -0.432 -2.408
280 HD2 PHE 35 2HD PHE 35 5.491 0.610 -2.007
281 HE1 PHE 35 1HE PHE 35 9.093 -2.800 -1.908
282 HE2 PHE 35 2HE PHE 35 4.946 -1.758 -1.506
283 HZ PHE 35 HZ PHE 35 6.746 -3.462 -1.457
284 H SER 36 H SER 36 10.095 2.196 -0.791
285 HA SER 36 HA SER 36 9.914 0.288 1.343
286 1HB SER 36 2HB SER 36 11.898 0.625 -0.051
287 2HB SER 36 1HB SER 36 12.053 2.281 0.528
288 HG SER 36 HG SER 36 12.138 1.209 2.692
289 H SER 37 H SER 37 9.814 3.808 1.274
290 HA SER 37 HA SER 37 10.241 4.123 4.153
291 1HB SER 37 2HB SER 37 10.905 5.843 2.560
292 2HB SER 37 1HB SER 37 9.263 5.945 1.933
293 HG SER 37 HG SER 37 8.949 7.362 3.443
294 H ILE 38 H ILE 38 7.410 4.605 1.984
295 HA ILE 38 HA ILE 38 5.531 5.020 4.126
296 HB ILE 38 HB ILE 38 5.301 4.164 1.227
297 1HG1 ILE 38 2HG1 ILE 38 6.207 6.454 1.807
298 2HG1 ILE 38 1HG1 ILE 38 4.727 6.482 0.846
299 1HG2 ILE 38 1HG2 ILE 38 3.318 4.022 3.276
300 2HG2 ILE 38 2HG2 ILE 38 3.108 3.764 1.546
301 3HG2 ILE 38 3HG2 ILE 38 2.906 5.378 2.228
302 1HD1 ILE 38 1HD1 ILE 38 3.416 6.747 2.960
303 2HD1 ILE 38 2HD1 ILE 38 4.517 8.092 2.662
304 3HD1 ILE 38 3HD1 ILE 38 4.935 6.856 3.848
305 H SER 39 H SER 39 6.962 2.153 2.784
306 HA SER 39 HA SER 39 4.900 0.251 3.391
307 1HB SER 39 2HB SER 39 7.827 0.289 2.834
308 2HB SER 39 1HB SER 39 7.181 -1.173 3.573
309 HG SER 39 HG SER 39 7.141 -0.666 1.083
310 H THR 40 H THR 40 7.979 0.695 5.171
311 HA THR 40 HA THR 40 7.319 -0.707 7.499
312 HB THR 40 HB THR 40 8.935 1.840 7.165
313 HG1 THR 40 1HG THR 40 10.003 0.485 5.955
314 1HG2 THR 40 1HG2 THR 40 9.550 1.652 9.323
315 2HG2 THR 40 2HG2 THR 40 9.875 -0.072 9.140
316 3HG2 THR 40 3HG2 THR 40 8.243 0.483 9.514
317 H MET 41 H MET 41 6.542 2.672 6.678
318 HA MET 41 HA MET 41 5.526 3.459 9.212
319 1HB MET 41 2HB MET 41 5.124 5.386 8.066
320 2HB MET 41 1HB MET 41 5.963 4.583 6.748
321 1HG MET 41 2HG MET 41 3.958 5.362 5.768
322 2HG MET 41 1HG MET 41 3.633 3.663 6.089
323 1HE MET 41 1HE MET 41 1.620 6.493 5.819
324 2HE MET 41 2HE MET 41 0.297 5.680 6.652
325 3HE MET 41 3HE MET 41 1.285 4.785 5.501
326 H LEU 42 H LEU 42 3.927 1.849 6.478
327 HA LEU 42 HA LEU 42 1.270 1.874 7.605
328 1HB LEU 42 2HB LEU 42 2.496 1.217 5.220
329 2HB LEU 42 1HB LEU 42 2.010 -0.361 5.838
330 HG LEU 42 HG LEU 42 -0.045 1.735 6.126
331 1HD1 LEU 42 1HD1 LEU 42 -0.347 2.306 3.949
332 2HD1 LEU 42 2HD1 LEU 42 0.033 0.682 3.378
333 3HD1 LEU 42 3HD1 LEU 42 1.334 1.815 3.743
334 1HD2 LEU 42 1HD2 LEU 42 0.137 -1.133 5.191
335 2HD2 LEU 42 2HD2 LEU 42 -1.352 -0.204 5.012
336 3HD2 LEU 42 3HD2 LEU 42 -0.682 -0.497 6.617
337 H LEU 43 H LEU 43 4.036 -0.306 7.902
338 HA LEU 43 HA LEU 43 2.597 -2.503 9.103
339 1HB LEU 43 2HB LEU 43 4.802 -2.628 7.962
340 2HB LEU 43 1HB LEU 43 5.514 -1.695 9.281
341 HG LEU 43 HG LEU 43 4.184 -3.678 10.640
342 1HD1 LEU 43 1HD1 LEU 43 4.337 -5.724 9.536
343 2HD1 LEU 43 2HD1 LEU 43 5.583 -5.150 8.430
344 3HD1 LEU 43 3HD1 LEU 43 3.907 -4.653 8.203
345 1HD2 LEU 43 1HD2 LEU 43 6.566 -4.758 10.652
346 2HD2 LEU 43 2HD2 LEU 43 6.375 -3.128 11.297
347 3HD2 LEU 43 3HD2 LEU 43 7.022 -3.363 9.674
348 H GLU 44 H GLU 44 4.550 0.169 10.507
349 HA GLU 44 HA GLU 44 4.392 -0.600 13.220
350 1HB GLU 44 2HB GLU 44 5.156 1.573 13.613
351 2HB GLU 44 1HB GLU 44 5.552 1.396 11.906
352 1HG GLU 44 2HG GLU 44 3.283 2.431 11.397
353 2HG GLU 44 1HG GLU 44 3.166 2.818 13.111
354 H LEU 45 H LEU 45 2.052 0.952 11.123
355 HA LEU 45 HA LEU 45 0.112 1.465 13.268
356 1HB LEU 45 2HB LEU 45 0.638 2.179 10.522
357 2HB LEU 45 1HB LEU 45 -1.028 1.617 10.673
358 HG LEU 45 HG LEU 45 0.090 3.556 12.681
359 1HD1 LEU 45 1HD1 LEU 45 -0.409 4.042 9.829
360 2HD1 LEU 45 2HD1 LEU 45 0.428 5.050 11.011
361 3HD1 LEU 45 3HD1 LEU 45 -1.331 5.110 10.887
362 1HD2 LEU 45 1HD2 LEU 45 -2.570 4.126 12.015
363 2HD2 LEU 45 2HD2 LEU 45 -2.018 3.246 13.440
364 3HD2 LEU 45 3HD2 LEU 45 -2.478 2.364 11.985
365 H GLY 46 H GLY 46 1.050 -1.226 11.404
366 1HA GLY 46 2HA GLY 46 0.121 -3.370 11.210
367 2HA GLY 46 1HA GLY 46 -1.025 -2.905 12.467
368 H LEU 47 H LEU 47 -0.576 -1.327 9.312
369 HA LEU 47 HA LEU 47 -2.245 -0.788 7.706
370 1HB LEU 47 2HB LEU 47 -2.632 -3.747 8.250
371 2HB LEU 47 1HB LEU 47 -3.230 -2.906 6.819
372 HG LEU 47 HG LEU 47 -0.447 -2.274 7.205
373 1HD1 LEU 47 1HD1 LEU 47 0.379 -4.632 6.704
374 2HD1 LEU 47 2HD1 LEU 47 -1.204 -5.203 7.228
375 3HD1 LEU 47 3HD1 LEU 47 -0.157 -4.352 8.361
376 1HD2 LEU 47 1HD2 LEU 47 -1.795 -2.170 5.093
377 2HD2 LEU 47 2HD2 LEU 47 -1.837 -3.934 5.078
378 3HD2 LEU 47 3HD2 LEU 47 -0.299 -3.086 4.911
379 H ARG 48 H ARG 48 -3.127 -0.204 10.400
380 HA ARG 48 HA ARG 48 -5.762 -1.340 10.874
381 1HB ARG 48 2HB ARG 48 -3.850 0.510 12.089
382 2HB ARG 48 1HB ARG 48 -5.525 1.006 12.337
383 1HG ARG 48 2HG ARG 48 -5.231 -1.857 12.703
384 2HG ARG 48 1HG ARG 48 -4.138 -0.970 13.767
385 1HD ARG 48 2HD ARG 48 -6.012 0.375 14.620
386 2HD ARG 48 1HD ARG 48 -7.126 -0.459 13.517
387 HE ARG 48 HE ARG 48 -6.135 -1.543 15.997
388 1HH1 ARG 48 1HH1 ARG 48 -8.627 -2.478 14.634
389 2HH1 ARG 48 2HH1 ARG 48 -8.184 -4.067 14.108
390 1HH2 ARG 48 1HH2 ARG 48 -4.778 -3.533 14.489
391 2HH2 ARG 48 2HH2 ARG 48 -6.006 -4.665 14.027
392 H VAL 49 H VAL 49 -5.118 2.146 10.629
393 HA VAL 49 HA VAL 49 -7.593 3.102 10.000
394 HB VAL 49 HB VAL 49 -4.882 3.826 8.869
395 1HG1 VAL 49 1HG1 VAL 49 -6.485 4.788 7.360
396 2HG1 VAL 49 2HG1 VAL 49 -5.975 6.077 8.452
397 3HG1 VAL 49 3HG1 VAL 49 -7.530 5.280 8.692
398 1HG2 VAL 49 1HG2 VAL 49 -4.791 5.392 10.654
399 2HG2 VAL 49 2HG2 VAL 49 -5.430 3.921 11.387
400 3HG2 VAL 49 3HG2 VAL 49 -6.518 5.247 10.976
401 H TYR 50 H TYR 50 -5.490 3.075 7.203
402 HA TYR 50 HA TYR 50 -7.214 3.011 5.125
403 1HB TYR 50 2HB TYR 50 -5.381 0.957 4.433
404 2HB TYR 50 1HB TYR 50 -5.264 2.668 4.052
405 HD1 TYR 50 1HD TYR 50 -4.832 0.571 7.160
406 HD2 TYR 50 2HD TYR 50 -3.208 3.574 4.555
407 HE1 TYR 50 1HE TYR 50 -2.852 0.793 8.640
408 HE2 TYR 50 2HE TYR 50 -1.229 3.793 6.033
409 HH TYR 50 HH TYR 50 -0.238 3.101 7.886
410 H GLU 51 H GLU 51 -6.734 0.224 7.261
411 HA GLU 51 HA GLU 51 -8.047 -1.702 5.604
412 1HB GLU 51 2HB GLU 51 -6.733 -1.414 8.102
413 2HB GLU 51 1HB GLU 51 -8.261 -2.206 8.402
414 1HG GLU 51 2HG GLU 51 -6.934 -3.233 6.017
415 2HG GLU 51 1HG GLU 51 -5.947 -3.426 7.465
416 H ALA 52 H ALA 52 -9.184 0.630 8.021
417 HA ALA 52 HA ALA 52 -11.757 -0.336 8.587
418 1HB ALA 52 1HB ALA 52 -11.043 2.550 7.998
419 2HB ALA 52 2HB ALA 52 -10.506 1.714 9.455
420 3HB ALA 52 3HB ALA 52 -12.228 1.952 9.159
421 H GLN 53 H GLN 53 -10.561 1.212 5.650
422 HA GLN 53 HA GLN 53 -13.001 1.918 4.403
423 1HB GLN 53 2HB GLN 53 -10.466 0.785 3.175
424 2HB GLN 53 1HB GLN 53 -11.654 1.798 2.355
425 1HG GLN 53 2HG GLN 53 -10.581 2.907 4.883
426 2HG GLN 53 1HG GLN 53 -9.421 2.780 3.560
427 1HE2 GLN 53 1HE2 GLN 53 -11.628 4.894 4.878
428 2HE2 GLN 53 2HE2 GLN 53 -12.012 5.798 3.493
429 H MET 54 H MET 54 -11.501 -1.228 4.862
430 HA MET 54 HA MET 54 -12.332 -3.397 4.422
431 1HB MET 54 2HB MET 54 -14.917 -1.948 3.794
432 2HB MET 54 1HB MET 54 -14.721 -3.574 4.448
433 1HG MET 54 2HG MET 54 -13.341 -1.901 6.232
434 2HG MET 54 1HG MET 54 -14.836 -1.043 5.859
435 1HE MET 54 1HE MET 54 -13.763 -2.020 8.439
436 2HE MET 54 2HE MET 54 -14.820 -3.139 9.298
437 3HE MET 54 3HE MET 54 -15.448 -1.584 8.759
438 H GLU 55 H GLU 55 -10.976 -2.138 2.293
439 HA GLU 55 HA GLU 55 -12.643 -2.628 -0.123
440 1HB GLU 55 2HB GLU 55 -10.511 -0.876 0.688
441 2HB GLU 55 1HB GLU 55 -10.019 -1.774 -0.746
442 1HG GLU 55 2HG GLU 55 -11.159 0.277 -1.434
443 2HG GLU 55 1HG GLU 55 -12.157 -1.115 -1.852
444 H ARG 56 H ARG 56 -11.509 -4.712 1.663
445 HA ARG 56 HA ARG 56 -9.855 -6.183 -0.364
446 1HB ARG 56 2HB ARG 56 -9.007 -5.303 2.042
447 2HB ARG 56 1HB ARG 56 -9.694 -6.850 2.535
448 1HG ARG 56 2HG ARG 56 -8.232 -7.321 0.146
449 2HG ARG 56 1HG ARG 56 -7.201 -6.350 1.199
450 1HD ARG 56 2HD ARG 56 -8.691 -8.724 2.318
451 2HD ARG 56 1HD ARG 56 -7.132 -8.940 1.496
452 HE ARG 56 HE ARG 56 -7.513 -7.672 4.089
453 1HH1 ARG 56 1HH2 ARG 56 -6.301 -5.442 2.628
454 2HH1 ARG 56 2HH2 ARG 56 -4.603 -5.778 2.720
455 1HH2 ARG 56 1HH1 ARG 56 -5.040 -9.105 3.594
456 2HH2 ARG 56 2HH1 ARG 56 -3.890 -7.851 3.267
Start of MODEL 8
1 1H ALA 2 1H ALA 2 5.178 -11.049 -24.410
2 2H ALA 2 2H ALA 2 5.625 -10.728 -22.802
3 3H ALA 2 3H ALA 2 5.620 -9.478 -23.952
4 HA ALA 2 HA ALA 2 3.207 -9.655 -24.168
5 1HB ALA 2 1HB ALA 2 3.895 -12.138 -22.862
6 2HB ALA 2 2HB ALA 2 2.368 -11.680 -23.618
7 3HB ALA 2 3HB ALA 2 2.663 -11.296 -21.922
8 H LYS 3 H LYS 3 5.072 -10.010 -21.138
9 HA LYS 3 HA LYS 3 4.966 -8.740 -19.136
10 1HB LYS 3 2HB LYS 3 5.022 -6.957 -21.529
11 2HB LYS 3 1HB LYS 3 4.754 -6.192 -19.963
12 1HG LYS 3 2HG LYS 3 7.021 -6.214 -19.809
13 2HG LYS 3 1HG LYS 3 6.801 -7.909 -19.372
14 1HD LYS 3 2HD LYS 3 7.990 -8.484 -21.192
15 2HD LYS 3 1HD LYS 3 6.704 -7.811 -22.195
16 1HE LYS 3 2HE LYS 3 8.474 -6.493 -22.922
17 2HE LYS 3 1HE LYS 3 7.950 -5.514 -21.538
18 1HZ LYS 3 1HZ LYS 3 10.249 -7.300 -21.780
19 2HZ LYS 3 2HZ LYS 3 9.450 -7.273 -20.280
20 3HZ LYS 3 3HZ LYS 3 10.099 -5.841 -20.928
21 H VAL 4 H VAL 4 2.720 -9.779 -18.779
22 HA VAL 4 HA VAL 4 0.609 -7.643 -18.831
23 HB VAL 4 HB VAL 4 0.453 -10.649 -19.215
24 1HG1 VAL 4 1HG1 VAL 4 -1.442 -9.145 -17.932
25 2HG1 VAL 4 2HG1 VAL 4 -1.797 -10.594 -18.873
26 3HG1 VAL 4 3HG1 VAL 4 -1.966 -9.001 -19.610
27 1HG2 VAL 4 1HG2 VAL 4 0.383 -8.257 -20.974
28 2HG2 VAL 4 2HG2 VAL 4 -0.810 -9.507 -21.329
29 3HG2 VAL 4 3HG2 VAL 4 0.910 -9.900 -21.332
30 H GLN 5 H GLN 5 1.475 -10.719 -17.198
31 HA GLN 5 HA GLN 5 1.461 -9.601 -14.551
32 1HB GLN 5 2HB GLN 5 -0.767 -10.634 -13.885
33 2HB GLN 5 1HB GLN 5 -0.889 -9.243 -14.964
34 1HG GLN 5 2HG GLN 5 -1.883 -10.487 -16.554
35 2HG GLN 5 1HG GLN 5 -0.582 -11.678 -16.497
36 1HE2 GLN 5 1HE2 GLN 5 -2.606 -13.170 -16.816
37 2HE2 GLN 5 2HE2 GLN 5 -3.375 -13.708 -15.401
38 H ALA 6 H ALA 6 0.621 -11.759 -13.043
39 HA ALA 6 HA ALA 6 1.445 -14.321 -14.120
40 1HB ALA 6 1HB ALA 6 3.603 -13.131 -14.084
41 2HB ALA 6 2HB ALA 6 3.601 -14.428 -12.890
42 3HB ALA 6 3HB ALA 6 3.376 -12.757 -12.375
43 H TYR 7 H TYR 7 -0.515 -14.913 -12.974
44 HA TYR 7 HA TYR 7 -1.710 -15.729 -11.105
45 1HB TYR 7 2HB TYR 7 0.686 -16.783 -11.023
46 2HB TYR 7 1HB TYR 7 0.936 -15.688 -9.663
47 HD1 TYR 7 1HD TYR 7 -1.395 -18.311 -10.958
48 HD2 TYR 7 2HD TYR 7 0.132 -16.237 -7.519
49 HE1 TYR 7 1HE TYR 7 -2.625 -19.870 -9.472
50 HE2 TYR 7 2HE TYR 7 -1.097 -17.796 -6.034
51 HH TYR 7 HH TYR 7 -2.099 -19.931 -6.036
52 H VAL 8 H VAL 8 -2.452 -15.073 -8.934
53 HA VAL 8 HA VAL 8 -1.714 -12.236 -8.291
54 HB VAL 8 HB VAL 8 -4.284 -13.826 -8.095
55 1HG1 VAL 8 1HG1 VAL 8 -5.299 -11.848 -7.073
56 2HG1 VAL 8 2HG1 VAL 8 -3.749 -11.007 -7.111
57 3HG1 VAL 8 3HG1 VAL 8 -3.964 -12.412 -6.068
58 1HG2 VAL 8 1HG2 VAL 8 -3.771 -12.880 -10.300
59 2HG2 VAL 8 2HG2 VAL 8 -3.487 -11.298 -9.574
60 3HG2 VAL 8 3HG2 VAL 8 -5.108 -11.993 -9.567
61 H SER 9 H SER 9 -1.006 -11.837 -6.214
62 HA SER 9 HA SER 9 -1.410 -13.964 -4.143
63 1HB SER 9 2HB SER 9 1.170 -12.521 -4.145
64 2HB SER 9 1HB SER 9 0.845 -14.234 -3.898
65 HG SER 9 HG SER 9 1.204 -14.559 -5.942
66 H ASP 10 H ASP 10 0.061 -12.639 -2.132
67 HA ASP 10 HA ASP 10 -1.812 -10.792 -1.075
68 1HB ASP 10 2HB ASP 10 0.032 -10.339 0.537
69 2HB ASP 10 1HB ASP 10 -0.158 -12.065 0.227
70 H GLU 11 H GLU 11 -2.109 -9.361 -3.023
71 HA GLU 11 HA GLU 11 -0.015 -7.676 -4.035
72 1HB GLU 11 2HB GLU 11 -2.623 -8.289 -4.640
73 2HB GLU 11 1HB GLU 11 -2.782 -6.643 -4.025
74 1HG GLU 11 2HG GLU 11 -1.246 -5.786 -5.638
75 2HG GLU 11 1HG GLU 11 -0.707 -7.403 -6.089
76 H ILE 12 H ILE 12 0.619 -7.393 -1.481
77 HA ILE 12 HA ILE 12 -0.812 -5.134 -0.226
78 HB ILE 12 HB ILE 12 1.494 -6.957 0.469
79 1HG1 ILE 12 2HG1 ILE 12 -0.946 -7.649 0.703
80 2HG1 ILE 12 1HG1 ILE 12 0.006 -7.740 2.187
81 1HG2 ILE 12 1HG2 ILE 12 1.245 -5.673 2.762
82 2HG2 ILE 12 2HG2 ILE 12 0.676 -4.360 1.731
83 3HG2 ILE 12 3HG2 ILE 12 2.293 -5.027 1.500
84 1HD1 ILE 12 1HD1 ILE 12 -1.868 -5.495 1.385
85 2HD1 ILE 12 2HD1 ILE 12 -0.836 -5.472 2.814
86 3HD1 ILE 12 3HD1 ILE 12 -2.127 -6.666 2.678
87 H VAL 13 H VAL 13 2.615 -5.765 -1.090
88 HA VAL 13 HA VAL 13 3.663 -3.202 -0.826
89 HB VAL 13 HB VAL 13 5.262 -3.960 -2.589
90 1HG1 VAL 13 1HG1 VAL 13 4.396 -5.571 -0.268
91 2HG1 VAL 13 2HG1 VAL 13 6.003 -4.972 -0.687
92 3HG1 VAL 13 3HG1 VAL 13 5.383 -6.441 -1.442
93 1HG2 VAL 13 1HG2 VAL 13 4.759 -6.317 -3.497
94 2HG2 VAL 13 2HG2 VAL 13 3.845 -4.985 -4.203
95 3HG2 VAL 13 3HG2 VAL 13 3.094 -6.028 -2.996
96 H TYR 14 H TYR 14 1.603 -4.443 -3.416
97 HA TYR 14 HA TYR 14 1.979 -2.219 -5.232
98 1HB TYR 14 2HB TYR 14 1.119 -4.588 -5.673
99 2HB TYR 14 1HB TYR 14 -0.411 -4.061 -4.972
100 HD1 TYR 14 1HD TYR 14 2.114 -2.648 -7.376
101 HD2 TYR 14 2HD TYR 14 -2.021 -3.445 -6.529
102 HE1 TYR 14 1HE TYR 14 1.473 -1.622 -9.541
103 HE2 TYR 14 2HE TYR 14 -2.662 -2.421 -8.693
104 HH TYR 14 HH TYR 14 -1.001 -0.433 -10.349
105 H LYS 15 H LYS 15 -0.398 -2.960 -2.680
106 HA LYS 15 HA LYS 15 -2.113 -0.697 -3.182
107 1HB LYS 15 2HB LYS 15 -1.777 -2.893 -1.301
108 2HB LYS 15 1HB LYS 15 -2.262 -1.414 -0.471
109 1HG LYS 15 2HG LYS 15 -3.958 -1.265 -2.533
110 2HG LYS 15 1HG LYS 15 -3.740 -3.016 -2.510
111 1HD LYS 15 2HD LYS 15 -4.234 -1.640 0.096
112 2HD LYS 15 1HD LYS 15 -5.599 -1.839 -1.004
113 1HE LYS 15 2HE LYS 15 -4.603 -4.334 -1.157
114 2HE LYS 15 1HE LYS 15 -4.050 -3.915 0.477
115 1HZ LYS 15 1HZ LYS 15 -6.819 -3.687 -0.575
116 2HZ LYS 15 2HZ LYS 15 -6.318 -3.089 0.935
117 3HZ LYS 15 3HZ LYS 15 -6.277 -4.760 0.622
118 H ILE 16 H ILE 16 0.793 -1.183 -1.227
119 HA ILE 16 HA ILE 16 0.620 1.299 0.249
120 HB ILE 16 HB ILE 16 3.036 -0.379 -0.490
121 1HG1 ILE 16 2HG1 ILE 16 0.964 -0.711 1.700
122 2HG1 ILE 16 1HG1 ILE 16 1.357 -1.861 0.423
123 1HG2 ILE 16 1HG2 ILE 16 3.526 1.801 0.570
124 2HG2 ILE 16 2HG2 ILE 16 3.919 0.464 1.650
125 3HG2 ILE 16 3HG2 ILE 16 2.441 1.394 1.899
126 1HD1 ILE 16 1HD1 ILE 16 3.506 -2.318 1.355
127 2HD1 ILE 16 2HD1 ILE 16 2.382 -2.346 2.714
128 3HD1 ILE 16 3HD1 ILE 16 3.405 -0.934 2.445
129 H ASN 17 H ASN 17 2.382 0.313 -2.701
130 HA ASN 17 HA ASN 17 3.811 2.695 -3.201
131 1HB ASN 17 2HB ASN 17 3.327 0.251 -4.416
132 2HB ASN 17 1HB ASN 17 2.642 1.402 -5.564
133 1HD2 ASN 17 1HD2 ASN 17 5.359 -0.244 -5.313
134 2HD2 ASN 17 2HD2 ASN 17 6.516 0.916 -5.759
135 H LYS 18 H LYS 18 0.422 1.891 -3.895
136 HA LYS 18 HA LYS 18 -0.112 4.270 -5.471
137 1HB LYS 18 2HB LYS 18 -1.698 2.119 -4.079
138 2HB LYS 18 1HB LYS 18 -2.524 3.494 -4.816
139 1HG LYS 18 2HG LYS 18 -1.929 2.881 -6.964
140 2HG LYS 18 1HG LYS 18 -0.454 2.067 -6.436
141 1HD LYS 18 2HD LYS 18 -1.542 0.099 -5.967
142 2HD LYS 18 1HD LYS 18 -3.030 0.914 -5.488
143 1HE LYS 18 2HE LYS 18 -2.169 1.028 -8.370
144 2HE LYS 18 1HE LYS 18 -2.989 -0.422 -7.757
145 1HZ LYS 18 1HZ LYS 18 -4.629 1.174 -6.718
146 2HZ LYS 18 2HZ LYS 18 -4.704 1.029 -8.409
147 3HZ LYS 18 3HZ LYS 18 -3.953 2.380 -7.702
148 H ILE 19 H ILE 19 0.025 3.575 -2.059
149 HA ILE 19 HA ILE 19 -1.609 5.880 -1.255
150 HB ILE 19 HB ILE 19 0.208 3.950 0.223
151 1HG1 ILE 19 2HG1 ILE 19 -2.818 4.075 0.147
152 2HG1 ILE 19 1HG1 ILE 19 -1.876 3.055 -0.940
153 1HG2 ILE 19 1HG2 ILE 19 -1.882 5.229 1.786
154 2HG2 ILE 19 2HG2 ILE 19 -0.785 6.425 1.094
155 3HG2 ILE 19 3HG2 ILE 19 -0.151 5.130 2.110
156 1HD1 ILE 19 1HD1 ILE 19 -1.357 2.911 2.011
157 2HD1 ILE 19 2HD1 ILE 19 -1.134 1.670 0.780
158 3HD1 ILE 19 3HD1 ILE 19 -2.756 2.071 1.342
159 H VAL 20 H VAL 20 1.832 5.094 -1.579
160 HA VAL 20 HA VAL 20 2.821 7.453 -0.226
161 HB VAL 20 HB VAL 20 4.191 5.831 -2.384
162 1HG1 VAL 20 1HG1 VAL 20 4.980 7.844 -0.468
163 2HG1 VAL 20 2HG1 VAL 20 5.944 7.084 -1.734
164 3HG1 VAL 20 3HG1 VAL 20 5.833 6.336 -0.141
165 1HG2 VAL 20 1HG2 VAL 20 4.894 4.589 -0.074
166 2HG2 VAL 20 2HG2 VAL 20 3.573 4.035 -1.104
167 3HG2 VAL 20 3HG2 VAL 20 3.231 5.033 0.308
168 H GLU 21 H GLU 21 2.455 6.629 -3.697
169 HA GLU 21 HA GLU 21 3.416 9.039 -4.807
170 1HB GLU 21 2HB GLU 21 1.930 8.373 -6.725
171 2HB GLU 21 1HB GLU 21 2.906 7.041 -6.103
172 1HG GLU 21 2HG GLU 21 1.023 6.197 -4.817
173 2HG GLU 21 1HG GLU 21 0.041 7.589 -5.276
174 H ARG 22 H ARG 22 0.181 8.260 -3.537
175 HA ARG 22 HA ARG 22 -1.346 10.425 -4.385
176 1HB ARG 22 2HB ARG 22 -2.145 8.586 -2.972
177 2HB ARG 22 1HB ARG 22 -1.149 9.158 -1.633
178 1HG ARG 22 2HG ARG 22 -3.306 10.018 -1.163
179 2HG ARG 22 1HG ARG 22 -2.435 11.382 -1.866
180 1HD ARG 22 2HD ARG 22 -3.784 9.672 -3.861
181 2HD ARG 22 1HD ARG 22 -4.884 10.521 -2.754
182 HE ARG 22 HE ARG 22 -3.013 12.449 -3.436
183 1HH1 ARG 22 1HH2 ARG 22 -3.455 10.352 -5.867
184 2HH1 ARG 22 2HH2 ARG 22 -4.378 11.387 -6.902
185 1HH2 ARG 22 1HH1 ARG 22 -4.921 13.788 -4.463
186 2HH2 ARG 22 2HH1 ARG 22 -5.209 13.332 -6.107
187 H ARG 23 H ARG 23 1.236 10.408 -1.969
188 HA ARG 23 HA ARG 23 0.775 12.964 -0.800
189 1HB ARG 23 2HB ARG 23 3.133 11.150 -1.252
190 2HB ARG 23 1HB ARG 23 3.380 12.739 -0.523
191 1HG ARG 23 2HG ARG 23 2.412 12.122 1.435
192 2HG ARG 23 1HG ARG 23 1.117 11.244 0.621
193 1HD ARG 23 2HD ARG 23 2.495 9.297 0.327
194 2HD ARG 23 1HD ARG 23 3.951 10.181 0.826
195 HE ARG 23 HE ARG 23 3.298 9.771 3.051
196 1HH1 ARG 23 1HH1 ARG 23 0.888 8.478 1.160
197 2HH1 ARG 23 2HH1 ARG 23 -0.395 8.709 2.301
198 1HH2 ARG 23 1HH2 ARG 23 1.508 10.654 4.449
199 2HH2 ARG 23 2HH2 ARG 23 -0.044 9.942 4.162
200 H ARG 24 H ARG 24 3.640 12.507 -2.827
201 HA ARG 24 HA ARG 24 3.767 15.177 -3.750
202 1HB ARG 24 2HB ARG 24 5.394 14.291 -5.296
203 2HB ARG 24 1HB ARG 24 5.496 13.298 -3.842
204 1HG ARG 24 2HG ARG 24 4.038 11.607 -4.879
205 2HG ARG 24 1HG ARG 24 3.909 12.601 -6.331
206 1HD ARG 24 2HD ARG 24 6.318 12.394 -6.734
207 2HD ARG 24 1HD ARG 24 6.510 11.479 -5.226
208 HE ARG 24 HE ARG 24 5.164 9.679 -6.211
209 1HH1 ARG 24 1HH1 ARG 24 3.984 11.841 -8.204
210 2HH1 ARG 24 2HH1 ARG 24 4.556 11.174 -9.697
211 1HH2 ARG 24 1HH2 ARG 24 6.786 8.998 -8.173
212 2HH2 ARG 24 2HH2 ARG 24 6.145 9.565 -9.679
213 H ALA 25 H ALA 25 1.928 12.422 -4.963
214 HA ALA 25 HA ALA 25 1.223 13.204 -7.544
215 1HB ALA 25 1HB ALA 25 -0.370 11.988 -5.270
216 2HB ALA 25 2HB ALA 25 0.433 11.145 -6.596
217 3HB ALA 25 3HB ALA 25 -1.011 12.109 -6.908
218 H GLU 26 H GLU 26 -0.267 14.307 -4.477
219 HA GLU 26 HA GLU 26 -2.004 16.203 -5.840
220 1HB GLU 26 2HB GLU 26 -2.838 16.594 -3.662
221 2HB GLU 26 1HB GLU 26 -2.308 14.914 -3.603
222 1HG GLU 26 2HG GLU 26 -0.005 16.107 -2.880
223 2HG GLU 26 1HG GLU 26 -1.142 17.320 -2.290
224 H GLY 27 H GLY 27 1.225 16.246 -4.511
225 1HA GLY 27 2HA GLY 27 2.778 18.015 -5.164
226 2HA GLY 27 1HA GLY 27 1.413 19.133 -5.234
227 H ALA 28 H ALA 28 2.268 16.824 -2.660
228 HA ALA 28 HA ALA 28 1.704 18.614 -0.519
229 1HB ALA 28 1HB ALA 28 2.280 15.975 -0.837
230 2HB ALA 28 2HB ALA 28 2.297 16.785 0.729
231 3HB ALA 28 3HB ALA 28 3.802 16.548 -0.157
232 H LYS 29 H LYS 29 4.022 18.504 1.098
233 HA LYS 29 HA LYS 29 5.959 20.223 -0.417
234 1HB LYS 29 2HB LYS 29 6.061 21.622 1.613
235 2HB LYS 29 1HB LYS 29 4.402 21.509 1.025
236 1HG LYS 29 2HG LYS 29 4.066 19.588 2.647
237 2HG LYS 29 1HG LYS 29 5.639 19.992 3.335
238 1HD LYS 29 2HD LYS 29 4.228 21.246 4.699
239 2HD LYS 29 1HD LYS 29 4.625 22.426 3.451
240 1HE LYS 29 2HE LYS 29 2.288 22.600 3.504
241 2HE LYS 29 1HE LYS 29 2.497 21.367 2.246
242 1HZ LYS 29 1HZ LYS 29 2.177 19.642 3.800
243 2HZ LYS 29 2HZ LYS 29 0.936 20.760 4.112
244 3HZ LYS 29 3HZ LYS 29 2.299 20.694 5.125
245 H SER 30 H SER 30 5.488 18.183 2.488
246 HA SER 30 HA SER 30 8.361 17.386 2.246
247 1HB SER 30 2HB SER 30 6.728 18.357 4.558
248 2HB SER 30 1HB SER 30 7.968 17.148 4.880
249 HG SER 30 HG SER 30 8.238 19.737 3.768
250 H THR 31 H THR 31 5.774 16.209 1.342
251 HA THR 31 HA THR 31 5.792 13.653 2.898
252 HB THR 31 HB THR 31 3.700 13.880 0.921
253 HG1 THR 31 1HG THR 31 2.772 15.753 2.219
254 1HG2 THR 31 1HG2 THR 31 3.569 12.523 2.950
255 2HG2 THR 31 2HG2 THR 31 2.276 13.722 2.951
256 3HG2 THR 31 3HG2 THR 31 3.709 13.969 3.950
257 H ASP 32 H ASP 32 7.908 14.247 1.054
258 HA ASP 32 HA ASP 32 7.316 12.863 -1.478
259 1HB ASP 32 2HB ASP 32 8.807 14.881 -1.184
260 2HB ASP 32 1HB ASP 32 9.939 13.846 -0.312
261 H VAL 33 H VAL 33 7.310 11.497 1.301
262 HA VAL 33 HA VAL 33 9.473 9.739 1.661
263 HB VAL 33 HB VAL 33 7.710 8.271 2.686
264 1HG1 VAL 33 1HG1 VAL 33 7.651 9.672 4.465
265 2HG1 VAL 33 2HG1 VAL 33 6.790 10.916 3.558
266 3HG1 VAL 33 3HG1 VAL 33 8.547 10.801 3.447
267 1HG2 VAL 33 1HG2 VAL 33 6.033 8.885 0.837
268 2HG2 VAL 33 2HG2 VAL 33 5.757 10.377 1.737
269 3HG2 VAL 33 3HG2 VAL 33 5.398 8.820 2.482
270 H SER 34 H SER 34 8.708 7.131 1.311
271 HA SER 34 HA SER 34 7.951 6.780 -1.547
272 1HB SER 34 2HB SER 34 10.351 7.094 -1.583
273 2HB SER 34 1HB SER 34 10.566 5.976 -0.240
274 HG SER 34 HG SER 34 9.635 5.400 -2.860
275 H PHE 35 H PHE 35 7.945 4.300 -2.021
276 HA PHE 35 HA PHE 35 6.086 2.964 -0.401
277 1HB PHE 35 2HB PHE 35 6.659 2.352 -2.697
278 2HB PHE 35 1HB PHE 35 8.289 1.900 -2.198
279 HD1 PHE 35 1HD PHE 35 5.358 1.235 -0.076
280 HD2 PHE 35 2HD PHE 35 8.077 -0.411 -2.966
281 HE1 PHE 35 1HE PHE 35 4.559 -1.048 0.471
282 HE2 PHE 35 2HE PHE 35 7.277 -2.693 -2.418
283 HZ PHE 35 HZ PHE 35 5.519 -3.012 -0.699
284 H SER 36 H SER 36 9.539 2.013 -0.594
285 HA SER 36 HA SER 36 9.725 0.282 1.544
286 1HB SER 36 2HB SER 36 12.054 1.610 1.801
287 2HB SER 36 1HB SER 36 11.716 0.573 0.418
288 HG SER 36 HG SER 36 12.208 3.173 0.442
289 H SER 37 H SER 37 9.960 3.849 1.775
290 HA SER 37 HA SER 37 10.219 3.899 4.652
291 1HB SER 37 2HB SER 37 9.029 6.157 3.092
292 2HB SER 37 1HB SER 37 10.308 6.189 4.304
293 HG SER 37 HG SER 37 11.611 5.067 2.700
294 H ILE 38 H ILE 38 7.456 4.875 2.574
295 HA ILE 38 HA ILE 38 5.535 5.168 4.623
296 HB ILE 38 HB ILE 38 5.461 4.418 1.700
297 1HG1 ILE 38 2HG1 ILE 38 6.100 6.732 2.486
298 2HG1 ILE 38 1HG1 ILE 38 4.680 6.693 1.441
299 1HG2 ILE 38 1HG2 ILE 38 3.260 4.364 3.693
300 2HG2 ILE 38 2HG2 ILE 38 3.412 3.505 2.160
301 3HG2 ILE 38 3HG2 ILE 38 2.914 5.196 2.178
302 1HD1 ILE 38 1HD1 ILE 38 3.374 7.540 3.069
303 2HD1 ILE 38 2HD1 ILE 38 4.839 7.810 4.014
304 3HD1 ILE 38 3HD1 ILE 38 3.922 6.317 4.214
305 H SER 39 H SER 39 6.934 2.272 3.295
306 HA SER 39 HA SER 39 4.784 0.452 4.001
307 1HB SER 39 2HB SER 39 7.733 0.169 3.378
308 2HB SER 39 1HB SER 39 6.684 -1.216 3.659
309 HG SER 39 HG SER 39 7.017 0.143 1.427
310 H THR 40 H THR 40 7.936 1.237 5.517
311 HA THR 40 HA THR 40 7.857 -0.448 7.746
312 HB THR 40 HB THR 40 8.829 2.385 7.319
313 HG1 THR 40 1HG THR 40 9.712 0.350 6.316
314 1HG2 THR 40 1HG2 THR 40 9.006 2.569 9.563
315 2HG2 THR 40 2HG2 THR 40 10.267 1.341 9.449
316 3HG2 THR 40 3HG2 THR 40 8.606 0.869 9.807
317 H MET 41 H MET 41 6.672 2.943 7.705
318 HA MET 41 HA MET 41 5.439 2.914 10.258
319 1HB MET 41 2HB MET 41 4.182 4.853 9.313
320 2HB MET 41 1HB MET 41 5.900 4.916 8.921
321 1HG MET 41 2HG MET 41 5.544 4.573 6.691
322 2HG MET 41 1HG MET 41 4.201 3.465 6.975
323 1HE MET 41 1HE MET 41 2.117 3.780 7.175
324 2HE MET 41 2HE MET 41 1.951 4.486 5.569
325 3HE MET 41 3HE MET 41 1.127 5.227 6.938
326 H LEU 42 H LEU 42 4.371 1.600 7.194
327 HA LEU 42 HA LEU 42 1.560 1.398 7.755
328 1HB LEU 42 2HB LEU 42 3.286 0.912 5.663
329 2HB LEU 42 1HB LEU 42 2.804 -0.720 6.129
330 HG LEU 42 HG LEU 42 0.800 1.505 5.704
331 1HD1 LEU 42 1HD1 LEU 42 0.871 -0.517 3.622
332 2HD1 LEU 42 2HD1 LEU 42 2.410 0.338 3.722
333 3HD1 LEU 42 3HD1 LEU 42 0.915 1.239 3.469
334 1HD2 LEU 42 1HD2 LEU 42 0.262 -1.413 5.337
335 2HD2 LEU 42 2HD2 LEU 42 -0.805 -0.143 5.936
336 3HD2 LEU 42 3HD2 LEU 42 0.445 -0.813 6.985
337 H LEU 43 H LEU 43 4.018 -1.224 7.795
338 HA LEU 43 HA LEU 43 2.369 -3.114 9.153
339 1HB LEU 43 2HB LEU 43 4.353 -3.740 7.908
340 2HB LEU 43 1HB LEU 43 5.374 -2.757 8.961
341 HG LEU 43 HG LEU 43 3.852 -4.495 10.625
342 1HD1 LEU 43 1HD1 LEU 43 5.100 -6.622 9.589
343 2HD1 LEU 43 2HD1 LEU 43 4.870 -5.718 8.094
344 3HD1 LEU 43 3HD1 LEU 43 3.477 -6.169 9.076
345 1HD2 LEU 43 1HD2 LEU 43 5.870 -4.332 11.619
346 2HD2 LEU 43 2HD2 LEU 43 6.571 -3.664 10.145
347 3HD2 LEU 43 3HD2 LEU 43 6.531 -5.410 10.390
348 H GLU 44 H GLU 44 4.486 -0.549 10.370
349 HA GLU 44 HA GLU 44 4.615 -1.386 13.098
350 1HB GLU 44 2HB GLU 44 6.138 0.264 12.496
351 2HB GLU 44 1HB GLU 44 4.995 1.071 11.430
352 1HG GLU 44 2HG GLU 44 4.296 2.454 13.064
353 2HG GLU 44 1HG GLU 44 4.149 1.128 14.212
354 H LEU 45 H LEU 45 2.294 0.363 11.153
355 HA LEU 45 HA LEU 45 0.538 0.892 13.490
356 1HB LEU 45 2HB LEU 45 0.525 2.789 12.196
357 2HB LEU 45 1HB LEU 45 0.993 1.912 10.742
358 HG LEU 45 HG LEU 45 -1.344 1.016 10.598
359 1HD1 LEU 45 1HD1 LEU 45 -1.598 1.664 13.183
360 2HD1 LEU 45 2HD1 LEU 45 -2.992 1.609 12.104
361 3HD1 LEU 45 3HD1 LEU 45 -2.233 3.154 12.486
362 1HD2 LEU 45 1HD2 LEU 45 -2.238 2.999 9.616
363 2HD2 LEU 45 2HD2 LEU 45 -0.489 3.141 9.444
364 3HD2 LEU 45 3HD2 LEU 45 -1.326 4.040 10.708
365 H GLY 46 H GLY 46 1.088 -1.586 11.288
366 1HA GLY 46 2HA GLY 46 -0.161 -3.508 10.779
367 2HA GLY 46 1HA GLY 46 -1.321 -2.991 12.004
368 H LEU 47 H LEU 47 -0.490 -0.860 9.355
369 HA LEU 47 HA LEU 47 -1.938 0.111 7.741
370 1HB LEU 47 2HB LEU 47 -1.141 -2.193 6.938
371 2HB LEU 47 1HB LEU 47 -2.734 -2.791 7.404
372 HG LEU 47 HG LEU 47 -2.761 -0.336 5.758
373 1HD1 LEU 47 1HD1 LEU 47 -1.396 -1.089 4.131
374 2HD1 LEU 47 2HD1 LEU 47 -2.528 -2.416 3.873
375 3HD1 LEU 47 3HD1 LEU 47 -1.164 -2.621 4.972
376 1HD2 LEU 47 1HD2 LEU 47 -4.430 -2.585 6.423
377 2HD2 LEU 47 2HD2 LEU 47 -4.267 -2.486 4.670
378 3HD2 LEU 47 3HD2 LEU 47 -4.873 -1.101 5.579
379 H ARG 48 H ARG 48 -3.121 -0.436 10.528
380 HA ARG 48 HA ARG 48 -5.899 -1.191 10.118
381 1HB ARG 48 2HB ARG 48 -4.201 -0.040 12.316
382 2HB ARG 48 1HB ARG 48 -5.951 -0.131 12.515
383 1HG ARG 48 2HG ARG 48 -4.167 -2.476 11.794
384 2HG ARG 48 1HG ARG 48 -4.801 -2.149 13.408
385 1HD ARG 48 2HD ARG 48 -7.116 -2.054 12.018
386 2HD ARG 48 1HD ARG 48 -6.212 -3.199 11.007
387 HE ARG 48 HE ARG 48 -5.898 -4.616 12.989
388 1HH1 ARG 48 1HH2 ARG 48 -8.701 -2.808 12.779
389 2HH1 ARG 48 2HH2 ARG 48 -9.165 -2.996 14.437
390 1HH2 ARG 48 1HH1 ARG 48 -6.173 -4.470 15.385
391 2HH2 ARG 48 2HH1 ARG 48 -7.735 -3.939 15.913
392 H VAL 49 H VAL 49 -4.314 1.956 10.811
393 HA VAL 49 HA VAL 49 -6.399 3.695 11.026
394 HB VAL 49 HB VAL 49 -3.855 3.908 9.408
395 1HG1 VAL 49 1HG1 VAL 49 -4.564 5.901 8.647
396 2HG1 VAL 49 2HG1 VAL 49 -4.721 6.451 10.315
397 3HG1 VAL 49 3HG1 VAL 49 -6.096 5.709 9.498
398 1HG2 VAL 49 1HG2 VAL 49 -4.000 3.518 12.001
399 2HG2 VAL 49 2HG2 VAL 49 -4.474 5.215 12.047
400 3HG2 VAL 49 3HG2 VAL 49 -2.908 4.755 11.380
401 H TYR 50 H TYR 50 -5.089 4.156 7.842
402 HA TYR 50 HA TYR 50 -7.307 4.925 6.470
403 1HB TYR 50 2HB TYR 50 -6.066 3.049 4.709
404 2HB TYR 50 1HB TYR 50 -5.860 4.793 4.750
405 HD1 TYR 50 1HD TYR 50 -4.389 1.556 5.570
406 HD2 TYR 50 2HD TYR 50 -4.049 5.801 6.128
407 HE1 TYR 50 1HE TYR 50 -2.038 1.277 6.315
408 HE2 TYR 50 2HE TYR 50 -1.702 5.520 6.876
409 HH TYR 50 HH TYR 50 -0.346 2.379 7.514
410 H GLU 51 H GLU 51 -6.690 1.606 7.459
411 HA GLU 51 HA GLU 51 -8.783 0.435 5.862
412 1HB GLU 51 2HB GLU 51 -6.604 -0.242 7.554
413 2HB GLU 51 1HB GLU 51 -8.025 -1.058 8.173
414 1HG GLU 51 2HG GLU 51 -7.813 -1.147 5.250
415 2HG GLU 51 1HG GLU 51 -6.473 -1.944 6.073
416 H ALA 52 H ALA 52 -8.485 1.580 9.220
417 HA ALA 52 HA ALA 52 -11.037 0.611 10.136
418 1HB ALA 52 1HB ALA 52 -10.491 1.855 12.073
419 2HB ALA 52 2HB ALA 52 -9.601 3.065 11.148
420 3HB ALA 52 3HB ALA 52 -8.915 1.457 11.385
421 H GLN 53 H GLN 53 -10.202 3.159 8.004
422 HA GLN 53 HA GLN 53 -12.897 4.375 8.361
423 1HB GLN 53 2HB GLN 53 -10.284 5.671 7.528
424 2HB GLN 53 1HB GLN 53 -11.825 6.506 7.732
425 1HG GLN 53 2HG GLN 53 -11.863 5.825 10.117
426 2HG GLN 53 1HG GLN 53 -10.292 5.049 9.905
427 1HE2 GLN 53 1HE2 GLN 53 -8.817 6.408 10.959
428 2HE2 GLN 53 2HE2 GLN 53 -8.710 8.085 10.714
429 H MET 54 H MET 54 -12.289 2.165 6.591
430 HA MET 54 HA MET 54 -11.839 3.156 3.890
431 1HB MET 54 2HB MET 54 -12.620 0.598 5.250
432 2HB MET 54 1HB MET 54 -12.837 0.725 3.504
433 1HG MET 54 2HG MET 54 -10.228 1.463 4.835
434 2HG MET 54 1HG MET 54 -10.576 -0.190 4.328
435 1HE MET 54 1HE MET 54 -8.775 3.025 1.966
436 2HE MET 54 2HE MET 54 -8.680 2.516 3.651
437 3HE MET 54 3HE MET 54 -10.005 3.551 3.124
438 H GLU 55 H GLU 55 -14.609 2.836 5.976
439 HA GLU 55 HA GLU 55 -16.353 3.804 3.752
440 1HB GLU 55 2HB GLU 55 -18.038 2.132 4.409
441 2HB GLU 55 1HB GLU 55 -16.524 1.331 3.984
442 1HG GLU 55 2HG GLU 55 -15.918 1.235 6.386
443 2HG GLU 55 1HG GLU 55 -17.460 1.987 6.794
444 H ARG 56 H ARG 56 -18.614 4.378 4.830
445 HA ARG 56 HA ARG 56 -18.056 6.285 6.982
446 1HB ARG 56 2HB ARG 56 -19.537 6.903 5.187
447 2HB ARG 56 1HB ARG 56 -20.503 5.445 5.405
448 1HG ARG 56 2HG ARG 56 -21.733 7.219 6.446
449 2HG ARG 56 1HG ARG 56 -21.014 6.282 7.756
450 1HD ARG 56 2HD ARG 56 -20.027 8.179 8.501
451 2HD ARG 56 1HD ARG 56 -19.089 8.240 6.996
452 HE ARG 56 HE ARG 56 -21.473 9.817 7.573
453 1HH1 ARG 56 1HH1 ARG 56 -18.887 9.906 5.640
454 2HH1 ARG 56 2HH1 ARG 56 -19.713 10.219 4.150
455 1HH2 ARG 56 1HH2 ARG 56 -22.856 9.520 5.436
456 2HH2 ARG 56 2HH2 ARG 56 -21.960 10.002 4.036
Start of MODEL 9
1 1H ALA 2 1H ALA 2 9.285 -18.287 -18.633
2 2H ALA 2 2H ALA 2 10.356 -18.295 -19.951
3 3H ALA 2 3H ALA 2 9.098 -19.436 -19.867
4 HA ALA 2 HA ALA 2 8.905 -16.531 -20.426
5 1HB ALA 2 1HB ALA 2 7.516 -17.668 -22.305
6 2HB ALA 2 2HB ALA 2 8.257 -19.168 -21.747
7 3HB ALA 2 3HB ALA 2 9.269 -17.858 -22.354
8 H LYS 3 H LYS 3 7.165 -19.410 -19.282
9 HA LYS 3 HA LYS 3 4.682 -17.801 -18.926
10 1HB LYS 3 2HB LYS 3 5.408 -20.738 -18.833
11 2HB LYS 3 1HB LYS 3 3.817 -20.152 -18.348
12 1HG LYS 3 2HG LYS 3 4.998 -19.379 -21.010
13 2HG LYS 3 1HG LYS 3 4.132 -20.902 -20.813
14 1HD LYS 3 2HD LYS 3 2.769 -18.541 -19.671
15 2HD LYS 3 1HD LYS 3 2.920 -18.535 -21.429
16 1HE LYS 3 2HE LYS 3 1.238 -20.041 -21.582
17 2HE LYS 3 1HE LYS 3 2.155 -21.178 -20.573
18 1HZ LYS 3 1HZ LYS 3 0.383 -20.736 -19.208
19 2HZ LYS 3 2HZ LYS 3 0.196 -19.142 -19.765
20 3HZ LYS 3 3HZ LYS 3 1.458 -19.530 -18.696
21 H VAL 4 H VAL 4 4.926 -16.614 -17.018
22 HA VAL 4 HA VAL 4 5.603 -18.182 -14.548
23 HB VAL 4 HB VAL 4 6.162 -15.259 -15.140
24 1HG1 VAL 4 1HG1 VAL 4 7.560 -16.947 -13.088
25 2HG1 VAL 4 2HG1 VAL 4 5.961 -16.299 -12.719
26 3HG1 VAL 4 3HG1 VAL 4 7.289 -15.204 -13.103
27 1HG2 VAL 4 1HG2 VAL 4 7.548 -16.448 -16.652
28 2HG2 VAL 4 2HG2 VAL 4 7.832 -17.751 -15.499
29 3HG2 VAL 4 3HG2 VAL 4 8.580 -16.174 -15.248
30 H GLN 5 H GLN 5 3.236 -18.510 -14.310
31 HA GLN 5 HA GLN 5 1.656 -16.044 -13.746
32 1HB GLN 5 2HB GLN 5 0.922 -18.975 -14.050
33 2HB GLN 5 1HB GLN 5 -0.237 -17.665 -13.831
34 1HG GLN 5 2HG GLN 5 1.203 -16.682 -15.911
35 2HG GLN 5 1HG GLN 5 1.338 -18.412 -16.230
36 1HE2 GLN 5 1HE2 GLN 5 -0.622 -19.588 -16.760
37 2HE2 GLN 5 2HE2 GLN 5 -2.080 -18.790 -17.106
38 H ALA 6 H ALA 6 0.333 -16.030 -11.741
39 HA ALA 6 HA ALA 6 1.040 -17.906 -9.586
40 1HB ALA 6 1HB ALA 6 2.337 -16.420 -8.323
41 2HB ALA 6 2HB ALA 6 1.674 -15.002 -9.133
42 3HB ALA 6 3HB ALA 6 2.847 -16.023 -9.963
43 H TYR 7 H TYR 7 -1.071 -18.248 -8.930
44 HA TYR 7 HA TYR 7 -3.024 -16.041 -8.875
45 1HB TYR 7 2HB TYR 7 -2.941 -18.983 -8.746
46 2HB TYR 7 1HB TYR 7 -4.178 -18.262 -7.718
47 HD1 TYR 7 1HD TYR 7 -6.235 -17.684 -8.659
48 HD2 TYR 7 2HD TYR 7 -2.775 -17.978 -11.186
49 HE1 TYR 7 1HE TYR 7 -7.656 -17.282 -10.651
50 HE2 TYR 7 2HE TYR 7 -4.196 -17.573 -13.178
51 HH TYR 7 HH TYR 7 -7.603 -17.708 -13.061
52 H VAL 8 H VAL 8 -4.100 -15.365 -6.910
53 HA VAL 8 HA VAL 8 -4.074 -14.649 -4.656
54 HB VAL 8 HB VAL 8 -3.034 -17.486 -4.356
55 1HG1 VAL 8 1HG1 VAL 8 -4.449 -15.566 -2.491
56 2HG1 VAL 8 2HG1 VAL 8 -2.887 -16.349 -2.253
57 3HG1 VAL 8 3HG1 VAL 8 -4.370 -17.302 -2.191
58 1HG2 VAL 8 1HG2 VAL 8 -5.003 -17.669 -5.657
59 2HG2 VAL 8 2HG2 VAL 8 -5.789 -16.336 -4.812
60 3HG2 VAL 8 3HG2 VAL 8 -5.573 -17.889 -4.003
61 H SER 9 H SER 9 -2.320 -13.106 -4.866
62 HA SER 9 HA SER 9 0.250 -14.069 -3.662
63 1HB SER 9 2HB SER 9 0.755 -13.864 -5.956
64 2HB SER 9 1HB SER 9 -0.301 -12.467 -6.156
65 HG SER 9 HG SER 9 2.162 -12.595 -4.745
66 H ASP 10 H ASP 10 1.016 -12.708 -2.055
67 HA ASP 10 HA ASP 10 -0.632 -10.678 -0.927
68 1HB ASP 10 2HB ASP 10 1.384 -10.271 0.461
69 2HB ASP 10 1HB ASP 10 1.073 -11.998 0.272
70 H GLU 11 H GLU 11 -0.961 -9.482 -3.106
71 HA GLU 11 HA GLU 11 1.202 -7.913 -4.219
72 1HB GLU 11 2HB GLU 11 -1.512 -8.553 -4.735
73 2HB GLU 11 1HB GLU 11 -1.426 -6.795 -4.640
74 1HG GLU 11 2HG GLU 11 0.665 -7.033 -6.164
75 2HG GLU 11 1HG GLU 11 0.045 -8.650 -6.504
76 H ILE 12 H ILE 12 1.759 -7.264 -1.761
77 HA ILE 12 HA ILE 12 0.146 -5.071 -0.674
78 HB ILE 12 HB ILE 12 2.741 -6.463 -0.013
79 1HG1 ILE 12 2HG1 ILE 12 0.539 -7.508 0.548
80 2HG1 ILE 12 1HG1 ILE 12 1.501 -7.138 1.979
81 1HG2 ILE 12 1HG2 ILE 12 1.548 -4.066 1.418
82 2HG2 ILE 12 2HG2 ILE 12 3.064 -4.076 0.516
83 3HG2 ILE 12 3HG2 ILE 12 2.910 -5.028 1.993
84 1HD1 ILE 12 1HD1 ILE 12 -1.062 -5.973 1.078
85 2HD1 ILE 12 2HD1 ILE 12 0.121 -4.802 1.662
86 3HD1 ILE 12 3HD1 ILE 12 -0.402 -6.122 2.708
87 H VAL 13 H VAL 13 3.305 -5.395 -2.312
88 HA VAL 13 HA VAL 13 4.309 -2.810 -2.173
89 HB VAL 13 HB VAL 13 4.168 -4.779 -4.472
90 1HG1 VAL 13 1HG1 VAL 13 5.244 -3.313 -5.798
91 2HG1 VAL 13 2HG1 VAL 13 6.447 -3.006 -4.546
92 3HG1 VAL 13 3HG1 VAL 13 4.954 -2.068 -4.584
93 1HG2 VAL 13 1HG2 VAL 13 5.998 -5.766 -3.528
94 2HG2 VAL 13 2HG2 VAL 13 5.420 -4.990 -2.052
95 3HG2 VAL 13 3HG2 VAL 13 6.683 -4.223 -3.016
96 H TYR 14 H TYR 14 1.916 -3.992 -4.568
97 HA TYR 14 HA TYR 14 1.520 -1.505 -5.910
98 1HB TYR 14 2HB TYR 14 0.824 -3.866 -6.569
99 2HB TYR 14 1HB TYR 14 -0.514 -3.701 -5.431
100 HD1 TYR 14 1HD TYR 14 -2.475 -2.501 -6.010
101 HD2 TYR 14 2HD TYR 14 1.044 -2.164 -8.449
102 HE1 TYR 14 1HE TYR 14 -3.778 -1.262 -7.718
103 HE2 TYR 14 2HE TYR 14 -0.260 -0.926 -10.158
104 HH TYR 14 HH TYR 14 -2.872 -0.868 -10.790
105 H LYS 15 H LYS 15 -0.308 -2.999 -3.212
106 HA LYS 15 HA LYS 15 -2.222 -0.916 -2.874
107 1HB LYS 15 2HB LYS 15 -1.255 -3.301 -1.534
108 2HB LYS 15 1HB LYS 15 -1.645 -2.044 -0.359
109 1HG LYS 15 2HG LYS 15 -3.502 -2.890 -2.598
110 2HG LYS 15 1HG LYS 15 -3.598 -3.521 -0.953
111 1HD LYS 15 2HD LYS 15 -3.747 -0.573 -1.645
112 2HD LYS 15 1HD LYS 15 -5.158 -1.597 -1.381
113 1HE LYS 15 2HE LYS 15 -3.620 -2.150 0.849
114 2HE LYS 15 1HE LYS 15 -3.328 -0.417 0.593
115 1HZ LYS 15 1HZ LYS 15 -6.001 -1.718 0.597
116 2HZ LYS 15 2HZ LYS 15 -5.695 -0.058 0.398
117 3HZ LYS 15 3HZ LYS 15 -5.362 -0.815 1.883
118 H ILE 16 H ILE 16 0.954 -1.415 -1.294
119 HA ILE 16 HA ILE 16 0.851 0.922 0.366
120 HB ILE 16 HB ILE 16 3.178 -0.603 -0.853
121 1HG1 ILE 16 2HG1 ILE 16 1.597 -0.932 1.714
122 2HG1 ILE 16 1HG1 ILE 16 1.770 -2.105 0.407
123 1HG2 ILE 16 1HG2 ILE 16 4.561 0.388 0.801
124 2HG2 ILE 16 2HG2 ILE 16 3.177 0.993 1.711
125 3HG2 ILE 16 3HG2 ILE 16 3.606 1.727 0.167
126 1HD1 ILE 16 1HD1 ILE 16 3.270 -2.776 2.171
127 2HD1 ILE 16 2HD1 ILE 16 3.928 -1.146 2.304
128 3HD1 ILE 16 3HD1 ILE 16 4.258 -2.114 0.868
129 H ASN 17 H ASN 17 2.595 0.384 -2.727
130 HA ASN 17 HA ASN 17 3.617 2.920 -3.199
131 1HB ASN 17 2HB ASN 17 2.834 0.567 -4.694
132 2HB ASN 17 1HB ASN 17 2.524 2.021 -5.644
133 1HD2 ASN 17 1HD2 ASN 17 4.657 3.661 -4.625
134 2HD2 ASN 17 2HD2 ASN 17 6.131 2.984 -5.126
135 H LYS 18 H LYS 18 0.305 1.813 -4.009
136 HA LYS 18 HA LYS 18 -0.778 4.046 -5.231
137 1HB LYS 18 2HB LYS 18 -1.792 2.070 -3.200
138 2HB LYS 18 1HB LYS 18 -2.857 3.353 -3.777
139 1HG LYS 18 2HG LYS 18 -2.475 2.642 -6.102
140 2HG LYS 18 1HG LYS 18 -1.392 1.367 -5.540
141 1HD LYS 18 2HD LYS 18 -3.614 0.431 -5.962
142 2HD LYS 18 1HD LYS 18 -3.267 0.385 -4.234
143 1HE LYS 18 2HE LYS 18 -4.454 2.917 -4.743
144 2HE LYS 18 1HE LYS 18 -5.452 1.700 -5.566
145 1HZ LYS 18 1HZ LYS 18 -5.685 0.463 -3.613
146 2HZ LYS 18 2HZ LYS 18 -5.893 2.070 -3.101
147 3HZ LYS 18 3HZ LYS 18 -4.418 1.272 -2.828
148 H ILE 19 H ILE 19 -0.319 3.592 -1.715
149 HA ILE 19 HA ILE 19 -1.388 6.205 -1.018
150 HB ILE 19 HB ILE 19 0.234 4.063 0.373
151 1HG1 ILE 19 2HG1 ILE 19 -2.310 4.729 1.546
152 2HG1 ILE 19 1HG1 ILE 19 -2.524 4.458 -0.183
153 1HG2 ILE 19 1HG2 ILE 19 0.803 6.313 1.298
154 2HG2 ILE 19 2HG2 ILE 19 -0.060 5.303 2.458
155 3HG2 ILE 19 3HG2 ILE 19 -0.913 6.589 1.603
156 1HD1 ILE 19 1HD1 ILE 19 -0.771 2.434 0.621
157 2HD1 ILE 19 2HD1 ILE 19 -2.489 2.248 0.267
158 3HD1 ILE 19 3HD1 ILE 19 -1.956 2.530 1.924
159 H VAL 20 H VAL 20 1.848 4.878 -1.630
160 HA VAL 20 HA VAL 20 3.315 7.209 -0.747
161 HB VAL 20 HB VAL 20 4.176 5.200 -2.836
162 1HG1 VAL 20 1HG1 VAL 20 5.835 6.857 -2.409
163 2HG1 VAL 20 2HG1 VAL 20 6.326 5.450 -1.465
164 3HG1 VAL 20 3HG1 VAL 20 5.537 6.813 -0.671
165 1HG2 VAL 20 1HG2 VAL 20 3.321 4.728 -0.066
166 2HG2 VAL 20 2HG2 VAL 20 4.957 4.159 -0.394
167 3HG2 VAL 20 3HG2 VAL 20 3.608 3.570 -1.364
168 H GLU 21 H GLU 21 2.424 6.018 -4.013
169 HA GLU 21 HA GLU 21 3.478 8.130 -5.546
170 1HB GLU 21 2HB GLU 21 1.745 7.423 -7.183
171 2HB GLU 21 1HB GLU 21 2.524 6.034 -6.424
172 1HG GLU 21 2HG GLU 21 0.619 5.394 -5.354
173 2HG GLU 21 1HG GLU 21 0.151 7.055 -4.989
174 H ARG 22 H ARG 22 0.681 8.087 -3.447
175 HA ARG 22 HA ARG 22 -0.709 10.363 -4.546
176 1HB ARG 22 2HB ARG 22 -1.454 8.514 -2.893
177 2HB ARG 22 1HB ARG 22 -0.664 9.489 -1.653
178 1HG ARG 22 2HG ARG 22 -2.532 10.735 -1.521
179 2HG ARG 22 1HG ARG 22 -2.219 11.290 -3.167
180 1HD ARG 22 2HD ARG 22 -3.549 9.507 -4.107
181 2HD ARG 22 1HD ARG 22 -3.695 8.714 -2.526
182 HE ARG 22 HE ARG 22 -4.703 11.151 -1.937
183 1HH1 ARG 22 1HH2 ARG 22 -5.366 8.760 -4.308
184 2HH1 ARG 22 2HH2 ARG 22 -6.889 9.441 -4.771
185 1HH2 ARG 22 1HH1 ARG 22 -6.599 12.187 -2.673
186 2HH2 ARG 22 2HH1 ARG 22 -7.588 11.380 -3.843
187 H ARG 23 H ARG 23 1.349 10.120 -1.608
188 HA ARG 23 HA ARG 23 1.517 12.795 -0.892
189 1HB ARG 23 2HB ARG 23 2.935 10.367 -0.465
190 2HB ARG 23 1HB ARG 23 4.143 11.603 -0.821
191 1HG ARG 23 2HG ARG 23 3.852 12.557 1.196
192 2HG ARG 23 1HG ARG 23 2.109 12.666 0.943
193 1HD ARG 23 2HD ARG 23 2.359 9.992 1.410
194 2HD ARG 23 1HD ARG 23 3.663 10.629 2.432
195 HE ARG 23 HE ARG 23 1.949 12.173 3.436
196 1HH1 ARG 23 1HH1 ARG 23 -0.204 11.680 1.390
197 2HH1 ARG 23 2HH1 ARG 23 -1.254 10.591 2.233
198 1HH2 ARG 23 1HH2 ARG 23 1.094 9.782 4.653
199 2HH2 ARG 23 2HH2 ARG 23 -0.520 9.517 4.081
200 H ARG 24 H ARG 24 3.768 11.181 -3.179
201 HA ARG 24 HA ARG 24 4.974 13.659 -4.056
202 1HB ARG 24 2HB ARG 24 6.065 12.201 -5.667
203 2HB ARG 24 1HB ARG 24 5.940 11.320 -4.143
204 1HG ARG 24 2HG ARG 24 3.753 10.351 -5.039
205 2HG ARG 24 1HG ARG 24 4.216 11.010 -6.607
206 1HD ARG 24 2HD ARG 24 5.780 8.986 -4.965
207 2HD ARG 24 1HD ARG 24 4.995 8.712 -6.533
208 HE ARG 24 HE ARG 24 7.506 10.174 -6.106
209 1HH1 ARG 24 1HH1 ARG 24 5.855 8.426 -8.338
210 2HH1 ARG 24 2HH1 ARG 24 6.141 9.475 -9.686
211 1HH2 ARG 24 1HH2 ARG 24 7.415 12.053 -7.748
212 2HH2 ARG 24 2HH2 ARG 24 7.023 11.529 -9.351
213 H ALA 25 H ALA 25 2.361 11.591 -5.322
214 HA ALA 25 HA ALA 25 1.862 12.672 -7.826
215 1HB ALA 25 1HB ALA 25 -0.651 12.446 -6.839
216 2HB ALA 25 2HB ALA 25 0.237 11.606 -5.568
217 3HB ALA 25 3HB ALA 25 0.339 11.042 -7.236
218 H GLU 26 H GLU 26 0.926 14.056 -4.674
219 HA GLU 26 HA GLU 26 -0.309 16.414 -5.814
220 1HB GLU 26 2HB GLU 26 0.454 15.324 -3.148
221 2HB GLU 26 1HB GLU 26 0.208 17.068 -3.251
222 1HG GLU 26 2HG GLU 26 -1.958 16.231 -4.632
223 2HG GLU 26 1HG GLU 26 -1.758 14.858 -3.542
224 H GLY 27 H GLY 27 2.937 15.540 -4.737
225 1HA GLY 27 2HA GLY 27 4.939 16.655 -5.420
226 2HA GLY 27 1HA GLY 27 3.969 18.030 -5.946
227 H ALA 28 H ALA 28 3.133 16.866 -2.838
228 HA ALA 28 HA ALA 28 4.589 19.181 -1.617
229 1HB ALA 28 1HB ALA 28 2.064 19.125 -1.660
230 2HB ALA 28 2HB ALA 28 2.744 19.229 -0.036
231 3HB ALA 28 3HB ALA 28 2.137 17.687 -0.642
232 H LYS 29 H LYS 29 5.809 16.583 -2.042
233 HA LYS 29 HA LYS 29 7.218 16.113 0.308
234 1HB LYS 29 2HB LYS 29 4.452 15.222 0.428
235 2HB LYS 29 1HB LYS 29 5.557 13.869 0.674
236 1HG LYS 29 2HG LYS 29 6.511 16.173 2.123
237 2HG LYS 29 1HG LYS 29 4.833 15.848 2.559
238 1HD LYS 29 2HD LYS 29 6.205 13.346 2.396
239 2HD LYS 29 1HD LYS 29 7.170 14.435 3.393
240 1HE LYS 29 2HE LYS 29 4.187 14.188 3.819
241 2HE LYS 29 1HE LYS 29 5.326 13.072 4.602
242 1HZ LYS 29 1HZ LYS 29 5.208 14.839 6.088
243 2HZ LYS 29 2HZ LYS 29 5.150 16.010 4.859
244 3HZ LYS 29 3HZ LYS 29 6.603 15.196 5.193
245 H SER 30 H SER 30 7.353 15.789 -2.649
246 HA SER 30 HA SER 30 7.683 12.885 -3.029
247 1HB SER 30 2HB SER 30 8.147 13.593 -5.368
248 2HB SER 30 1HB SER 30 6.652 14.302 -4.766
249 HG SER 30 HG SER 30 8.344 15.696 -5.852
250 H THR 31 H THR 31 9.404 14.773 -1.335
251 HA THR 31 HA THR 31 12.074 14.127 -2.525
252 HB THR 31 HB THR 31 12.866 15.936 -1.057
253 HG1 THR 31 1HG THR 31 11.734 16.429 0.618
254 1HG2 THR 31 1HG2 THR 31 12.141 17.550 -2.472
255 2HG2 THR 31 2HG2 THR 31 10.449 17.269 -2.064
256 3HG2 THR 31 3HG2 THR 31 11.248 16.249 -3.261
257 H ASP 32 H ASP 32 10.042 13.875 0.348
258 HA ASP 32 HA ASP 32 12.076 12.172 1.712
259 1HB ASP 32 2HB ASP 32 10.541 14.283 2.528
260 2HB ASP 32 1HB ASP 32 9.529 12.926 3.023
261 H VAL 33 H VAL 33 8.585 12.214 0.911
262 HA VAL 33 HA VAL 33 7.762 9.731 1.826
263 HB VAL 33 HB VAL 33 6.520 11.581 0.556
264 1HG1 VAL 33 1HG1 VAL 33 7.074 9.963 -1.909
265 2HG1 VAL 33 2HG1 VAL 33 8.233 11.203 -1.426
266 3HG1 VAL 33 3HG1 VAL 33 6.560 11.646 -1.767
267 1HG2 VAL 33 1HG2 VAL 33 4.995 9.806 -0.586
268 2HG2 VAL 33 2HG2 VAL 33 5.220 9.709 1.161
269 3HG2 VAL 33 3HG2 VAL 33 6.117 8.628 0.095
270 H SER 34 H SER 34 7.814 7.592 0.996
271 HA SER 34 HA SER 34 9.037 6.857 -1.511
272 1HB SER 34 2HB SER 34 10.910 7.798 0.060
273 2HB SER 34 1HB SER 34 10.749 6.257 0.896
274 HG SER 34 HG SER 34 12.016 5.554 -0.626
275 H PHE 35 H PHE 35 8.769 4.614 -1.873
276 HA PHE 35 HA PHE 35 6.792 3.148 -0.630
277 1HB PHE 35 2HB PHE 35 8.091 2.605 -2.709
278 2HB PHE 35 1HB PHE 35 9.416 2.048 -1.687
279 HD1 PHE 35 1HD PHE 35 9.073 0.101 -0.147
280 HD2 PHE 35 2HD PHE 35 6.134 1.268 -3.054
281 HE1 PHE 35 1HE PHE 35 7.971 -2.109 0.080
282 HE2 PHE 35 2HE PHE 35 5.032 -0.942 -2.827
283 HZ PHE 35 HZ PHE 35 5.951 -2.631 -1.260
284 H SER 36 H SER 36 10.280 2.788 0.148
285 HA SER 36 HA SER 36 10.004 1.031 2.344
286 1HB SER 36 2HB SER 36 11.976 3.177 1.561
287 2HB SER 36 1HB SER 36 12.219 2.211 3.013
288 HG SER 36 HG SER 36 13.104 0.893 1.611
289 H SER 37 H SER 37 9.519 4.518 2.159
290 HA SER 37 HA SER 37 9.469 4.908 5.058
291 1HB SER 37 2HB SER 37 8.411 6.686 2.848
292 2HB SER 37 1HB SER 37 8.966 7.181 4.444
293 HG SER 37 HG SER 37 10.540 7.487 2.777
294 H ILE 38 H ILE 38 7.014 4.725 2.458
295 HA ILE 38 HA ILE 38 4.757 5.137 4.220
296 HB ILE 38 HB ILE 38 5.122 3.962 1.452
297 1HG1 ILE 38 2HG1 ILE 38 5.682 6.357 1.722
298 2HG1 ILE 38 1HG1 ILE 38 4.226 6.153 0.748
299 1HG2 ILE 38 1HG2 ILE 38 3.005 3.203 1.627
300 2HG2 ILE 38 2HG2 ILE 38 2.491 4.886 1.737
301 3HG2 ILE 38 3HG2 ILE 38 2.803 3.961 3.205
302 1HD1 ILE 38 1HD1 ILE 38 4.533 7.579 3.225
303 2HD1 ILE 38 2HD1 ILE 38 3.387 6.259 3.457
304 3HD1 ILE 38 3HD1 ILE 38 3.107 7.459 2.194
305 H SER 39 H SER 39 6.233 2.204 2.791
306 HA SER 39 HA SER 39 4.360 0.335 3.894
307 1HB SER 39 2HB SER 39 5.691 -0.472 2.158
308 2HB SER 39 1HB SER 39 7.145 0.303 2.779
309 HG SER 39 HG SER 39 5.836 -2.035 3.682
310 H THR 40 H THR 40 7.548 1.452 5.076
311 HA THR 40 HA THR 40 7.856 -0.161 7.335
312 HB THR 40 HB THR 40 8.482 2.742 6.771
313 HG1 THR 40 1HG THR 40 10.167 1.884 5.887
314 1HG2 THR 40 1HG2 THR 40 8.659 2.882 9.055
315 2HG2 THR 40 2HG2 THR 40 10.224 2.136 8.724
316 3HG2 THR 40 3HG2 THR 40 8.867 1.141 9.250
317 H MET 41 H MET 41 6.227 3.048 7.307
318 HA MET 41 HA MET 41 5.279 2.802 10.024
319 1HB MET 41 2HB MET 41 4.196 4.875 9.537
320 2HB MET 41 1HB MET 41 5.680 4.883 8.585
321 1HG MET 41 2HG MET 41 4.274 5.414 6.870
322 2HG MET 41 1HG MET 41 3.969 3.678 6.844
323 1HE MET 41 1HE MET 41 1.471 3.721 5.885
324 2HE MET 41 2HE MET 41 2.106 5.323 5.515
325 3HE MET 41 3HE MET 41 0.484 5.158 6.183
326 H LEU 42 H LEU 42 3.976 1.818 6.909
327 HA LEU 42 HA LEU 42 1.225 1.516 7.699
328 1HB LEU 42 2HB LEU 42 2.790 1.261 5.412
329 2HB LEU 42 1HB LEU 42 2.235 -0.384 5.714
330 HG LEU 42 HG LEU 42 0.373 2.000 5.714
331 1HD1 LEU 42 1HD1 LEU 42 1.582 0.510 3.486
332 2HD1 LEU 42 2HD1 LEU 42 0.736 2.056 3.475
333 3HD1 LEU 42 3HD1 LEU 42 -0.180 0.550 3.435
334 1HD2 LEU 42 1HD2 LEU 42 -0.124 -0.327 6.830
335 2HD2 LEU 42 2HD2 LEU 42 -0.335 -0.872 5.165
336 3HD2 LEU 42 3HD2 LEU 42 -1.352 0.418 5.807
337 H LEU 43 H LEU 43 3.913 -0.853 7.518
338 HA LEU 43 HA LEU 43 2.375 -3.061 8.541
339 1HB LEU 43 2HB LEU 43 4.370 -3.461 7.286
340 2HB LEU 43 1HB LEU 43 5.323 -2.409 8.338
341 HG LEU 43 HG LEU 43 4.033 -4.418 9.935
342 1HD1 LEU 43 1HD1 LEU 43 5.683 -6.228 8.792
343 2HD1 LEU 43 2HD1 LEU 43 5.215 -5.319 7.357
344 3HD1 LEU 43 3HD1 LEU 43 3.981 -6.085 8.357
345 1HD2 LEU 43 1HD2 LEU 43 6.481 -4.967 10.407
346 2HD2 LEU 43 2HD2 LEU 43 6.019 -3.286 10.674
347 3HD2 LEU 43 3HD2 LEU 43 6.896 -3.737 9.214
348 H GLU 44 H GLU 44 4.602 -0.745 10.115
349 HA GLU 44 HA GLU 44 4.590 -1.873 12.722
350 1HB GLU 44 2HB GLU 44 4.801 0.955 11.648
351 2HB GLU 44 1HB GLU 44 5.061 0.568 13.349
352 1HG GLU 44 2HG GLU 44 6.724 -1.223 12.445
353 2HG GLU 44 1HG GLU 44 6.681 -0.277 10.957
354 H LEU 45 H LEU 45 2.235 0.029 10.985
355 HA LEU 45 HA LEU 45 0.523 0.298 13.405
356 1HB LEU 45 2HB LEU 45 0.414 2.347 12.409
357 2HB LEU 45 1HB LEU 45 1.042 1.727 10.887
358 HG LEU 45 HG LEU 45 -1.256 0.763 10.442
359 1HD1 LEU 45 1HD1 LEU 45 -3.064 1.253 11.823
360 2HD1 LEU 45 2HD1 LEU 45 -2.291 2.689 12.496
361 3HD1 LEU 45 3HD1 LEU 45 -1.780 1.084 13.020
362 1HD2 LEU 45 1HD2 LEU 45 -2.261 3.181 10.142
363 2HD2 LEU 45 2HD2 LEU 45 -0.835 2.706 9.220
364 3HD2 LEU 45 3HD2 LEU 45 -0.661 3.698 10.668
365 H GLY 46 H GLY 46 1.046 -1.879 10.908
366 1HA GLY 46 2HA GLY 46 -0.272 -3.563 9.928
367 2HA GLY 46 1HA GLY 46 -1.174 -3.520 11.446
368 H LEU 47 H LEU 47 -0.825 -0.944 9.037
369 HA LEU 47 HA LEU 47 -2.547 0.440 8.144
370 1HB LEU 47 2HB LEU 47 -3.621 -0.788 6.395
371 2HB LEU 47 1HB LEU 47 -2.068 -1.576 6.655
372 HG LEU 47 HG LEU 47 -4.282 -2.631 8.311
373 1HD1 LEU 47 1HD1 LEU 47 -5.452 -2.168 6.176
374 2HD1 LEU 47 2HD1 LEU 47 -5.277 -3.899 6.465
375 3HD1 LEU 47 3HD1 LEU 47 -4.216 -3.084 5.314
376 1HD2 LEU 47 1HD2 LEU 47 -2.524 -4.190 6.445
377 2HD2 LEU 47 2HD2 LEU 47 -3.110 -4.629 8.050
378 3HD2 LEU 47 3HD2 LEU 47 -1.807 -3.451 7.878
379 H ARG 48 H ARG 48 -3.137 -0.470 10.925
380 HA ARG 48 HA ARG 48 -5.938 -1.235 11.054
381 1HB ARG 48 2HB ARG 48 -3.686 -0.588 12.826
382 2HB ARG 48 1HB ARG 48 -5.248 -0.086 13.474
383 1HG ARG 48 2HG ARG 48 -5.544 -2.227 14.121
384 2HG ARG 48 1HG ARG 48 -5.730 -2.624 12.412
385 1HD ARG 48 2HD ARG 48 -3.647 -3.568 12.278
386 2HD ARG 48 1HD ARG 48 -2.926 -2.358 13.358
387 HE ARG 48 HE ARG 48 -4.807 -4.335 14.539
388 1HH1 ARG 48 1HH2 ARG 48 -1.623 -4.376 13.596
389 2HH1 ARG 48 2HH2 ARG 48 -0.957 -4.627 15.176
390 1HH2 ARG 48 1HH1 ARG 48 -3.963 -4.094 16.819
391 2HH2 ARG 48 2HH1 ARG 48 -2.282 -4.467 17.000
392 H VAL 49 H VAL 49 -4.826 1.606 12.798
393 HA VAL 49 HA VAL 49 -7.138 3.142 12.533
394 HB VAL 49 HB VAL 49 -5.013 3.501 13.917
395 1HG1 VAL 49 1HG1 VAL 49 -3.112 4.329 12.960
396 2HG1 VAL 49 2HG1 VAL 49 -4.005 5.320 11.806
397 3HG1 VAL 49 3HG1 VAL 49 -3.773 3.600 11.496
398 1HG2 VAL 49 1HG2 VAL 49 -5.240 6.155 13.348
399 2HG2 VAL 49 2HG2 VAL 49 -6.417 5.264 14.313
400 3HG2 VAL 49 3HG2 VAL 49 -6.712 5.541 12.597
401 H TYR 50 H TYR 50 -4.655 2.552 10.145
402 HA TYR 50 HA TYR 50 -5.016 4.756 8.397
403 1HB TYR 50 2HB TYR 50 -3.220 3.163 8.144
404 2HB TYR 50 1HB TYR 50 -4.358 1.831 7.956
405 HD1 TYR 50 1HD TYR 50 -5.513 1.441 5.864
406 HD2 TYR 50 2HD TYR 50 -2.938 4.846 6.351
407 HE1 TYR 50 1HE TYR 50 -5.569 1.833 3.417
408 HE2 TYR 50 2HE TYR 50 -2.994 5.237 3.902
409 HH TYR 50 HH TYR 50 -4.932 3.151 1.752
410 H GLU 51 H GLU 51 -6.606 1.532 8.233
411 HA GLU 51 HA GLU 51 -8.438 2.276 6.161
412 1HB GLU 51 2HB GLU 51 -7.526 0.014 7.389
413 2HB GLU 51 1HB GLU 51 -9.141 0.142 8.078
414 1HG GLU 51 2HG GLU 51 -9.209 0.713 5.247
415 2HG GLU 51 1HG GLU 51 -8.455 -0.854 5.538
416 H ALA 52 H ALA 52 -8.324 3.059 9.482
417 HA ALA 52 HA ALA 52 -11.210 3.164 9.961
418 1HB ALA 52 1HB ALA 52 -8.886 4.434 11.443
419 2HB ALA 52 2HB ALA 52 -9.419 2.770 11.677
420 3HB ALA 52 3HB ALA 52 -10.493 4.105 12.092
421 H GLN 53 H GLN 53 -8.673 5.698 9.725
422 HA GLN 53 HA GLN 53 -10.344 7.956 9.714
423 1HB GLN 53 2HB GLN 53 -8.424 9.072 8.826
424 2HB GLN 53 1HB GLN 53 -7.787 7.718 9.759
425 1HG GLN 53 2HG GLN 53 -7.597 6.380 7.698
426 2HG GLN 53 1HG GLN 53 -8.233 7.731 6.759
427 1HE2 GLN 53 1HE2 GLN 53 -5.817 7.702 9.435
428 2HE2 GLN 53 2HE2 GLN 53 -4.590 8.447 8.531
429 H MET 54 H MET 54 -9.886 5.564 7.220
430 HA MET 54 HA MET 54 -11.001 7.275 5.086
431 1HB MET 54 2HB MET 54 -10.133 4.376 5.296
432 2HB MET 54 1HB MET 54 -10.718 5.109 3.802
433 1HG MET 54 2HG MET 54 -8.339 6.082 5.412
434 2HG MET 54 1HG MET 54 -8.246 5.150 3.919
435 1HE MET 54 1HE MET 54 -10.690 6.841 1.930
436 2HE MET 54 2HE MET 54 -9.461 5.583 2.020
437 3HE MET 54 3HE MET 54 -9.125 7.073 1.141
438 H GLU 55 H GLU 55 -11.955 4.255 6.773
439 HA GLU 55 HA GLU 55 -14.804 4.912 6.092
440 1HB GLU 55 2HB GLU 55 -13.165 2.402 5.914
441 2HB GLU 55 1HB GLU 55 -14.900 2.269 6.203
442 1HG GLU 55 2HG GLU 55 -14.632 4.181 4.156
443 2HG GLU 55 1HG GLU 55 -13.507 2.887 3.739
444 H ARG 56 H ARG 56 -16.354 3.827 7.658
445 HA ARG 56 HA ARG 56 -15.332 2.966 10.261
446 1HB ARG 56 2HB ARG 56 -16.143 4.938 11.477
447 2HB ARG 56 1HB ARG 56 -14.978 5.437 10.250
448 1HG ARG 56 2HG ARG 56 -17.148 5.652 8.743
449 2HG ARG 56 1HG ARG 56 -17.948 5.819 10.307
450 1HD ARG 56 2HD ARG 56 -15.809 7.495 10.649
451 2HD ARG 56 1HD ARG 56 -16.147 7.708 8.919
452 HE ARG 56 HE ARG 56 -18.562 8.101 9.611
453 1HH1 ARG 56 1HH1 ARG 56 -16.334 10.119 10.628
454 2HH1 ARG 56 2HH1 ARG 56 -17.008 10.506 12.175
455 1HH2 ARG 56 1HH2 ARG 56 -19.286 7.891 12.131
456 2HH2 ARG 56 2HH2 ARG 56 -18.681 9.245 13.027
Start of MODEL 10
1 1H ALA 2 1H ALA 2 -6.715 -19.519 -11.097
2 2H ALA 2 2H ALA 2 -6.864 -18.705 -9.612
3 3H ALA 2 3H ALA 2 -7.636 -20.200 -9.846
4 HA ALA 2 HA ALA 2 -5.541 -20.302 -8.482
5 1HB ALA 2 1HB ALA 2 -5.259 -22.452 -9.312
6 2HB ALA 2 2HB ALA 2 -5.288 -21.915 -10.992
7 3HB ALA 2 3HB ALA 2 -6.792 -22.034 -10.079
8 H LYS 3 H LYS 3 -5.290 -18.092 -10.731
9 HA LYS 3 HA LYS 3 -2.468 -18.631 -11.541
10 1HB LYS 3 2HB LYS 3 -4.770 -17.527 -12.763
11 2HB LYS 3 1HB LYS 3 -3.638 -16.191 -12.556
12 1HG LYS 3 2HG LYS 3 -1.894 -17.406 -13.713
13 2HG LYS 3 1HG LYS 3 -2.890 -18.860 -13.779
14 1HD LYS 3 2HD LYS 3 -3.581 -18.126 -15.800
15 2HD LYS 3 1HD LYS 3 -4.515 -16.917 -14.918
16 1HE LYS 3 2HE LYS 3 -3.278 -15.398 -16.099
17 2HE LYS 3 1HE LYS 3 -1.977 -15.802 -14.961
18 1HZ LYS 3 1HZ LYS 3 -1.762 -17.857 -16.575
19 2HZ LYS 3 2HZ LYS 3 -0.962 -16.391 -16.897
20 3HZ LYS 3 3HZ LYS 3 -2.416 -16.761 -17.692
21 H VAL 4 H VAL 4 -2.293 -18.161 -8.962
22 HA VAL 4 HA VAL 4 -1.733 -15.225 -8.666
23 HB VAL 4 HB VAL 4 -2.426 -17.216 -6.490
24 1HG1 VAL 4 1HG1 VAL 4 -1.510 -15.326 -5.467
25 2HG1 VAL 4 2HG1 VAL 4 -3.227 -14.919 -5.497
26 3HG1 VAL 4 3HG1 VAL 4 -2.135 -14.232 -6.701
27 1HG2 VAL 4 1HG2 VAL 4 -4.285 -17.148 -8.082
28 2HG2 VAL 4 2HG2 VAL 4 -4.250 -15.384 -8.083
29 3HG2 VAL 4 3HG2 VAL 4 -4.728 -16.256 -6.626
30 H GLN 5 H GLN 5 -0.720 -18.518 -7.737
31 HA GLN 5 HA GLN 5 1.371 -19.301 -6.937
32 1HB GLN 5 2HB GLN 5 2.310 -17.105 -8.807
33 2HB GLN 5 1HB GLN 5 3.158 -18.603 -8.418
34 1HG GLN 5 2HG GLN 5 0.672 -19.482 -9.295
35 2HG GLN 5 1HG GLN 5 1.031 -18.132 -10.369
36 1HE2 GLN 5 1HE2 GLN 5 1.479 -19.563 -12.197
37 2HE2 GLN 5 2HE2 GLN 5 2.882 -20.515 -12.248
38 H ALA 6 H ALA 6 3.773 -18.070 -6.432
39 HA ALA 6 HA ALA 6 4.899 -16.651 -4.908
40 1HB ALA 6 1HB ALA 6 3.376 -15.047 -6.334
41 2HB ALA 6 2HB ALA 6 4.115 -14.443 -4.850
42 3HB ALA 6 3HB ALA 6 2.424 -14.943 -4.853
43 H TYR 7 H TYR 7 4.733 -18.270 -3.215
44 HA TYR 7 HA TYR 7 2.529 -18.803 -1.551
45 1HB TYR 7 2HB TYR 7 5.520 -18.714 -1.099
46 2HB TYR 7 1HB TYR 7 4.409 -19.315 0.130
47 HD1 TYR 7 1HD TYR 7 5.738 -19.877 -3.277
48 HD2 TYR 7 2HD TYR 7 3.250 -21.419 -0.134
49 HE1 TYR 7 1HE TYR 7 5.645 -22.072 -4.427
50 HE2 TYR 7 2HE TYR 7 3.156 -23.614 -1.285
51 HH TYR 7 HH TYR 7 3.493 -24.608 -3.373
52 H VAL 8 H VAL 8 1.312 -17.072 -0.765
53 HA VAL 8 HA VAL 8 0.812 -15.111 0.465
54 HB VAL 8 HB VAL 8 3.237 -16.242 1.896
55 1HG1 VAL 8 1HG1 VAL 8 1.956 -13.756 2.287
56 2HG1 VAL 8 2HG1 VAL 8 3.097 -14.548 3.373
57 3HG1 VAL 8 3HG1 VAL 8 1.364 -14.812 3.571
58 1HG2 VAL 8 1HG2 VAL 8 1.080 -17.632 1.568
59 2HG2 VAL 8 2HG2 VAL 8 0.327 -16.479 2.670
60 3HG2 VAL 8 3HG2 VAL 8 1.687 -17.460 3.216
61 H SER 9 H SER 9 1.527 -13.806 -1.473
62 HA SER 9 HA SER 9 4.242 -12.680 -1.440
63 1HB SER 9 2HB SER 9 3.476 -12.837 -3.603
64 2HB SER 9 1HB SER 9 1.792 -12.645 -3.125
65 HG SER 9 HG SER 9 2.595 -10.818 -4.253
66 H ASP 10 H ASP 10 4.739 -10.499 -0.919
67 HA ASP 10 HA ASP 10 3.295 -9.270 1.206
68 1HB ASP 10 2HB ASP 10 5.379 -8.321 -0.774
69 2HB ASP 10 1HB ASP 10 4.837 -7.330 0.581
70 H GLU 11 H GLU 11 1.073 -9.304 0.166
71 HA GLU 11 HA GLU 11 0.364 -7.780 -2.127
72 1HB GLU 11 2HB GLU 11 -1.069 -9.421 -0.972
73 2HB GLU 11 1HB GLU 11 -1.159 -8.362 0.436
74 1HG GLU 11 2HG GLU 11 -1.922 -7.213 -2.214
75 2HG GLU 11 1HG GLU 11 -3.051 -8.332 -1.450
76 H ILE 12 H ILE 12 1.475 -6.729 0.950
77 HA ILE 12 HA ILE 12 0.081 -4.198 1.114
78 HB ILE 12 HB ILE 12 2.600 -5.386 2.292
79 1HG1 ILE 12 2HG1 ILE 12 0.269 -6.162 2.969
80 2HG1 ILE 12 1HG1 ILE 12 1.275 -5.561 4.288
81 1HG2 ILE 12 1HG2 ILE 12 2.210 -3.299 3.903
82 2HG2 ILE 12 2HG2 ILE 12 1.545 -2.591 2.432
83 3HG2 ILE 12 3HG2 ILE 12 3.214 -3.161 2.459
84 1HD1 ILE 12 1HD1 ILE 12 -0.420 -3.569 2.860
85 2HD1 ILE 12 2HD1 ILE 12 0.014 -3.656 4.568
86 3HD1 ILE 12 3HD1 ILE 12 -1.245 -4.710 3.922
87 H VAL 13 H VAL 13 3.141 -5.246 -0.358
88 HA VAL 13 HA VAL 13 4.494 -2.911 -0.902
89 HB VAL 13 HB VAL 13 3.819 -5.207 -2.768
90 1HG1 VAL 13 1HG1 VAL 13 6.279 -3.475 -2.935
91 2HG1 VAL 13 2HG1 VAL 13 4.798 -3.016 -3.775
92 3HG1 VAL 13 3HG1 VAL 13 5.593 -4.540 -4.162
93 1HG2 VAL 13 1HG2 VAL 13 5.426 -6.402 -1.681
94 2HG2 VAL 13 2HG2 VAL 13 5.140 -5.263 -0.364
95 3HG2 VAL 13 3HG2 VAL 13 6.472 -4.995 -1.488
96 H TYR 14 H TYR 14 1.660 -4.106 -2.729
97 HA TYR 14 HA TYR 14 1.546 -1.917 -4.588
98 1HB TYR 14 2HB TYR 14 0.167 -4.330 -3.943
99 2HB TYR 14 1HB TYR 14 -1.035 -3.041 -4.032
100 HD1 TYR 14 1HD TYR 14 -2.013 -2.794 -6.124
101 HD2 TYR 14 2HD TYR 14 2.116 -3.945 -5.868
102 HE1 TYR 14 1HE TYR 14 -1.871 -2.831 -8.598
103 HE2 TYR 14 2HE TYR 14 2.259 -3.982 -8.343
104 HH TYR 14 HH TYR 14 0.425 -4.338 -10.284
105 H LYS 15 H LYS 15 -0.347 -2.569 -1.616
106 HA LYS 15 HA LYS 15 -1.935 -0.260 -1.554
107 1HB LYS 15 2HB LYS 15 -2.278 -2.026 0.005
108 2HB LYS 15 1HB LYS 15 -0.610 -1.946 0.575
109 1HG LYS 15 2HG LYS 15 -1.106 -0.330 2.072
110 2HG LYS 15 1HG LYS 15 -1.973 0.615 0.860
111 1HD LYS 15 2HD LYS 15 -3.143 -1.838 2.194
112 2HD LYS 15 1HD LYS 15 -3.400 -0.199 2.793
113 1HE LYS 15 2HE LYS 15 -3.905 -0.387 -0.081
114 2HE LYS 15 1HE LYS 15 -4.954 -1.469 0.858
115 1HZ LYS 15 1HZ LYS 15 -5.836 0.247 2.044
116 2HZ LYS 15 2HZ LYS 15 -5.524 1.074 0.593
117 3HZ LYS 15 3HZ LYS 15 -4.453 1.220 1.904
118 H ILE 16 H ILE 16 1.431 -0.651 -0.426
119 HA ILE 16 HA ILE 16 1.675 1.978 0.726
120 HB ILE 16 HB ILE 16 3.780 0.155 -0.485
121 1HG1 ILE 16 2HG1 ILE 16 2.402 -1.078 1.115
122 2HG1 ILE 16 1HG1 ILE 16 3.967 -0.726 1.849
123 1HG2 ILE 16 1HG2 ILE 16 4.236 2.644 0.274
124 2HG2 ILE 16 2HG2 ILE 16 5.359 1.363 0.731
125 3HG2 ILE 16 3HG2 ILE 16 4.167 1.946 1.893
126 1HD1 ILE 16 1HD1 ILE 16 2.547 -0.064 3.559
127 2HD1 ILE 16 2HD1 ILE 16 1.284 0.463 2.448
128 3HD1 ILE 16 3HD1 ILE 16 2.722 1.456 2.683
129 H ASN 17 H ASN 17 2.613 0.672 -2.476
130 HA ASN 17 HA ASN 17 3.844 2.845 -3.665
131 1HB ASN 17 2HB ASN 17 1.874 0.774 -4.606
132 2HB ASN 17 1HB ASN 17 2.452 1.999 -5.737
133 1HD2 ASN 17 1HD2 ASN 17 3.228 -1.016 -4.295
134 2HD2 ASN 17 2HD2 ASN 17 4.851 -1.095 -4.787
135 H LYS 18 H LYS 18 0.413 2.500 -2.892
136 HA LYS 18 HA LYS 18 -0.494 4.805 -4.395
137 1HB LYS 18 2HB LYS 18 -1.501 2.879 -2.365
138 2HB LYS 18 1HB LYS 18 -2.354 4.420 -2.459
139 1HG LYS 18 2HG LYS 18 -3.351 3.833 -4.391
140 2HG LYS 18 1HG LYS 18 -1.806 3.381 -5.112
141 1HD LYS 18 2HD LYS 18 -2.287 1.198 -4.860
142 2HD LYS 18 1HD LYS 18 -2.528 1.428 -3.127
143 1HE LYS 18 2HE LYS 18 -4.716 0.940 -3.532
144 2HE LYS 18 1HE LYS 18 -4.818 2.552 -4.267
145 1HZ LYS 18 1HZ LYS 18 -4.521 -0.054 -5.549
146 2HZ LYS 18 2HZ LYS 18 -3.655 1.238 -6.234
147 3HZ LYS 18 3HZ LYS 18 -5.345 1.326 -6.086
148 H ILE 19 H ILE 19 0.028 4.299 -0.879
149 HA ILE 19 HA ILE 19 -0.456 6.916 0.019
150 HB ILE 19 HB ILE 19 1.640 4.919 0.938
151 1HG1 ILE 19 2HG1 ILE 19 -0.937 5.112 2.353
152 2HG1 ILE 19 1HG1 ILE 19 -1.076 4.521 0.697
153 1HG2 ILE 19 1HG2 ILE 19 1.961 7.091 1.991
154 2HG2 ILE 19 2HG2 ILE 19 1.233 5.994 3.164
155 3HG2 ILE 19 3HG2 ILE 19 0.241 7.206 2.355
156 1HD1 ILE 19 1HD1 ILE 19 -0.385 2.979 2.887
157 2HD1 ILE 19 2HD1 ILE 19 1.178 3.338 2.153
158 3HD1 ILE 19 3HD1 ILE 19 -0.083 2.551 1.203
159 H VAL 20 H VAL 20 2.707 5.533 -0.978
160 HA VAL 20 HA VAL 20 4.197 7.964 -0.719
161 HB VAL 20 HB VAL 20 4.594 5.590 -2.567
162 1HG1 VAL 20 1HG1 VAL 20 6.190 7.970 -1.894
163 2HG1 VAL 20 2HG1 VAL 20 6.328 6.876 -3.270
164 3HG1 VAL 20 3HG1 VAL 20 7.064 6.447 -1.727
165 1HG2 VAL 20 1HG2 VAL 20 6.155 5.660 -0.114
166 2HG2 VAL 20 2HG2 VAL 20 5.160 4.359 -0.767
167 3HG2 VAL 20 3HG2 VAL 20 4.424 5.625 0.217
168 H GLU 21 H GLU 21 3.098 6.378 -3.747
169 HA GLU 21 HA GLU 21 3.662 8.432 -5.557
170 1HB GLU 21 2HB GLU 21 1.381 6.445 -5.373
171 2HB GLU 21 1HB GLU 21 1.683 7.421 -6.811
172 1HG GLU 21 2HG GLU 21 3.978 5.905 -5.644
173 2HG GLU 21 1HG GLU 21 2.760 4.999 -6.541
174 H ARG 22 H ARG 22 0.728 8.038 -3.555
175 HA ARG 22 HA ARG 22 -0.916 10.068 -4.460
176 1HB ARG 22 2HB ARG 22 -1.520 8.653 -2.612
177 2HB ARG 22 1HB ARG 22 -0.152 9.221 -1.653
178 1HG ARG 22 2HG ARG 22 -1.136 11.499 -1.628
179 2HG ARG 22 1HG ARG 22 -2.525 10.893 -2.532
180 1HD ARG 22 2HD ARG 22 -2.185 9.134 -0.330
181 2HD ARG 22 1HD ARG 22 -2.073 10.786 0.310
182 HE ARG 22 HE ARG 22 -4.294 11.217 -0.494
183 1HH1 ARG 22 1HH2 ARG 22 -4.024 9.743 -3.116
184 2HH1 ARG 22 2HH2 ARG 22 -5.129 8.428 -2.894
185 1HH2 ARG 22 1HH1 ARG 22 -5.318 8.819 0.546
186 2HH2 ARG 22 2HH1 ARG 22 -5.862 7.905 -0.821
187 H ARG 23 H ARG 23 1.811 10.496 -2.169
188 HA ARG 23 HA ARG 23 1.693 13.211 -1.641
189 1HB ARG 23 2HB ARG 23 3.636 11.096 -1.685
190 2HB ARG 23 1HB ARG 23 4.394 12.569 -2.287
191 1HG ARG 23 2HG ARG 23 2.674 12.745 0.159
192 2HG ARG 23 1HG ARG 23 4.297 12.074 0.317
193 1HD ARG 23 2HD ARG 23 4.660 14.348 -1.276
194 2HD ARG 23 1HD ARG 23 3.502 14.855 -0.030
195 HE ARG 23 HE ARG 23 5.856 13.295 0.872
196 1HH1 ARG 23 1HH1 ARG 23 4.065 14.891 2.698
197 2HH1 ARG 23 2HH1 ARG 23 5.026 16.302 2.990
198 1HH2 ARG 23 1HH2 ARG 23 7.163 15.725 0.321
199 2HH2 ARG 23 2HH2 ARG 23 6.779 16.775 1.643
200 H ARG 24 H ARG 24 3.362 11.782 -4.484
201 HA ARG 24 HA ARG 24 3.858 14.332 -5.746
202 1HB ARG 24 2HB ARG 24 4.636 11.688 -6.030
203 2HB ARG 24 1HB ARG 24 3.656 11.962 -7.472
204 1HG ARG 24 2HG ARG 24 5.015 13.789 -8.173
205 2HG ARG 24 1HG ARG 24 5.818 13.888 -6.605
206 1HD ARG 24 2HD ARG 24 6.118 11.222 -7.710
207 2HD ARG 24 1HD ARG 24 6.717 12.444 -8.848
208 HE ARG 24 HE ARG 24 7.502 12.770 -6.010
209 1HH1 ARG 24 1HH1 ARG 24 8.835 10.353 -7.237
210 2HH1 ARG 24 2HH1 ARG 24 10.290 11.043 -7.875
211 1HH2 ARG 24 1HH2 ARG 24 9.136 14.308 -7.693
212 2HH2 ARG 24 2HH2 ARG 24 10.460 13.281 -8.135
213 H ALA 25 H ALA 25 1.530 11.721 -6.556
214 HA ALA 25 HA ALA 25 0.122 12.971 -8.619
215 1HB ALA 25 1HB ALA 25 -1.319 11.514 -6.417
216 2HB ALA 25 2HB ALA 25 -0.099 10.662 -7.361
217 3HB ALA 25 3HB ALA 25 -1.511 11.351 -8.163
218 H GLU 26 H GLU 26 0.181 13.782 -5.229
219 HA GLU 26 HA GLU 26 -2.146 15.583 -5.509
220 1HB GLU 26 2HB GLU 26 -0.497 14.542 -3.197
221 2HB GLU 26 1HB GLU 26 -1.771 15.744 -2.992
222 1HG GLU 26 2HG GLU 26 -2.864 13.673 -4.590
223 2HG GLU 26 1HG GLU 26 -2.025 12.889 -3.250
224 H GLY 27 H GLY 27 1.348 15.603 -5.216
225 1HA GLY 27 2HA GLY 27 2.359 17.749 -6.136
226 2HA GLY 27 1HA GLY 27 1.263 18.592 -5.041
227 H ALA 28 H ALA 28 3.579 15.873 -4.767
228 HA ALA 28 HA ALA 28 4.226 16.214 -2.041
229 1HB ALA 28 1HB ALA 28 4.845 14.278 -3.403
230 2HB ALA 28 2HB ALA 28 6.304 14.986 -2.711
231 3HB ALA 28 3HB ALA 28 5.895 15.285 -4.400
232 H LYS 29 H LYS 29 6.993 16.633 -1.907
233 HA LYS 29 HA LYS 29 7.401 19.409 -2.945
234 1HB LYS 29 2HB LYS 29 6.760 18.593 -0.284
235 2HB LYS 29 1HB LYS 29 8.433 19.158 -0.281
236 1HG LYS 29 2HG LYS 29 7.825 21.286 -1.161
237 2HG LYS 29 1HG LYS 29 6.210 20.725 -1.602
238 1HD LYS 29 2HD LYS 29 6.774 20.343 1.239
239 2HD LYS 29 1HD LYS 29 6.890 22.035 0.757
240 1HE LYS 29 2HE LYS 29 4.643 22.204 0.421
241 2HE LYS 29 1HE LYS 29 4.566 20.632 -0.398
242 1HZ LYS 29 1HZ LYS 29 3.601 20.966 2.024
243 2HZ LYS 29 2HZ LYS 29 5.214 20.647 2.452
244 3HZ LYS 29 3HZ LYS 29 4.329 19.511 1.549
245 H SER 30 H SER 30 8.908 16.655 -1.219
246 HA SER 30 HA SER 30 11.333 17.008 -2.917
247 1HB SER 30 2HB SER 30 11.070 17.269 0.063
248 2HB SER 30 1HB SER 30 12.570 16.639 -0.610
249 HG SER 30 HG SER 30 11.569 19.179 -0.606
250 H THR 31 H THR 31 12.951 15.100 -1.905
251 HA THR 31 HA THR 31 11.504 12.611 -2.485
252 HB THR 31 HB THR 31 13.744 11.682 -2.506
253 HG1 THR 31 1HG THR 31 14.763 14.117 -1.544
254 1HG2 THR 31 1HG2 THR 31 13.841 14.533 -3.530
255 2HG2 THR 31 2HG2 THR 31 13.123 13.173 -4.394
256 3HG2 THR 31 3HG2 THR 31 14.857 13.197 -4.072
257 H ASP 32 H ASP 32 11.517 14.374 0.225
258 HA ASP 32 HA ASP 32 12.464 12.862 2.379
259 1HB ASP 32 2HB ASP 32 11.224 15.134 2.229
260 2HB ASP 32 1HB ASP 32 9.744 14.178 2.336
261 H VAL 33 H VAL 33 9.717 12.217 0.288
262 HA VAL 33 HA VAL 33 8.761 10.017 2.045
263 HB VAL 33 HB VAL 33 7.207 11.650 0.995
264 1HG1 VAL 33 1HG1 VAL 33 8.839 11.035 -1.310
265 2HG1 VAL 33 2HG1 VAL 33 7.640 12.313 -1.114
266 3HG1 VAL 33 3HG1 VAL 33 7.143 10.715 -1.671
267 1HG2 VAL 33 1HG2 VAL 33 7.068 8.762 0.098
268 2HG2 VAL 33 2HG2 VAL 33 5.747 9.900 -0.169
269 3HG2 VAL 33 3HG2 VAL 33 6.254 9.508 1.474
270 H SER 34 H SER 34 8.789 7.826 1.347
271 HA SER 34 HA SER 34 9.958 7.147 -1.281
272 1HB SER 34 2HB SER 34 11.270 6.368 1.341
273 2HB SER 34 1HB SER 34 11.849 5.969 -0.273
274 HG SER 34 HG SER 34 11.677 8.446 -0.477
275 H PHE 35 H PHE 35 9.558 4.933 -1.837
276 HA PHE 35 HA PHE 35 7.222 3.711 -0.801
277 1HB PHE 35 2HB PHE 35 8.313 3.323 -3.015
278 2HB PHE 35 1HB PHE 35 9.604 2.444 -2.194
279 HD1 PHE 35 1HD PHE 35 5.861 2.510 -2.458
280 HD2 PHE 35 2HD PHE 35 9.397 0.134 -1.909
281 HE1 PHE 35 1HE PHE 35 4.482 0.449 -2.496
282 HE2 PHE 35 2HE PHE 35 8.018 -1.927 -1.947
283 HZ PHE 35 HZ PHE 35 5.561 -1.769 -2.241
284 H SER 36 H SER 36 10.652 3.118 -0.025
285 HA SER 36 HA SER 36 10.170 0.895 1.753
286 1HB SER 36 2HB SER 36 12.546 1.789 2.535
287 2HB SER 36 1HB SER 36 12.348 1.055 0.947
288 HG SER 36 HG SER 36 13.381 2.996 0.656
289 H SER 37 H SER 37 10.118 4.390 2.148
290 HA SER 37 HA SER 37 10.199 4.317 5.074
291 1HB SER 37 2HB SER 37 10.399 6.587 4.809
292 2HB SER 37 1HB SER 37 10.723 6.153 3.133
293 HG SER 37 HG SER 37 8.579 7.428 4.241
294 H ILE 38 H ILE 38 7.668 4.820 2.592
295 HA ILE 38 HA ILE 38 5.526 5.137 4.534
296 HB ILE 38 HB ILE 38 5.653 4.540 1.570
297 1HG1 ILE 38 2HG1 ILE 38 6.586 6.737 2.521
298 2HG1 ILE 38 1HG1 ILE 38 5.359 6.890 1.264
299 1HG2 ILE 38 1HG2 ILE 38 3.232 5.675 1.903
300 2HG2 ILE 38 2HG2 ILE 38 3.369 4.838 3.450
301 3HG2 ILE 38 3HG2 ILE 38 3.474 3.929 1.943
302 1HD1 ILE 38 1HD1 ILE 38 5.119 8.327 3.428
303 2HD1 ILE 38 2HD1 ILE 38 4.553 6.826 4.161
304 3HD1 ILE 38 3HD1 ILE 38 3.691 7.515 2.784
305 H SER 39 H SER 39 7.086 2.416 3.005
306 HA SER 39 HA SER 39 5.001 0.475 3.121
307 1HB SER 39 2HB SER 39 7.901 0.640 2.796
308 2HB SER 39 1HB SER 39 7.408 -0.839 3.617
309 HG SER 39 HG SER 39 7.291 -1.225 1.438
310 H THR 40 H THR 40 7.804 0.239 5.285
311 HA THR 40 HA THR 40 6.735 -1.261 7.326
312 HB THR 40 HB THR 40 9.051 -0.517 7.232
313 HG1 THR 40 1HG THR 40 7.898 0.651 9.534
314 1HG2 THR 40 1HG2 THR 40 8.044 1.917 6.561
315 2HG2 THR 40 2HG2 THR 40 9.702 1.664 7.104
316 3HG2 THR 40 3HG2 THR 40 8.472 2.201 8.247
317 H MET 41 H MET 41 6.207 2.211 6.805
318 HA MET 41 HA MET 41 5.026 2.999 9.211
319 1HB MET 41 2HB MET 41 5.359 3.981 6.654
320 2HB MET 41 1HB MET 41 3.604 3.871 6.785
321 1HG MET 41 2HG MET 41 4.832 4.954 9.206
322 2HG MET 41 1HG MET 41 5.179 5.934 7.782
323 1HE MET 41 1HE MET 41 3.429 5.605 5.954
324 2HE MET 41 2HE MET 41 2.629 7.149 6.242
325 3HE MET 41 3HE MET 41 1.675 5.669 6.169
326 H LEU 42 H LEU 42 3.173 1.788 6.377
327 HA LEU 42 HA LEU 42 0.681 1.502 7.689
328 1HB LEU 42 2HB LEU 42 2.048 0.541 5.257
329 2HB LEU 42 1HB LEU 42 0.728 -0.495 5.799
330 HG LEU 42 HG LEU 42 0.058 1.369 4.201
331 1HD1 LEU 42 1HD1 LEU 42 -1.513 2.070 6.536
332 2HD1 LEU 42 2HD1 LEU 42 -1.210 0.333 6.489
333 3HD1 LEU 42 3HD1 LEU 42 -1.986 1.130 5.121
334 1HD2 LEU 42 1HD2 LEU 42 0.210 3.595 4.830
335 2HD2 LEU 42 2HD2 LEU 42 1.650 2.962 5.629
336 3HD2 LEU 42 3HD2 LEU 42 0.171 3.218 6.553
337 H LEU 43 H LEU 43 3.018 -1.136 6.970
338 HA LEU 43 HA LEU 43 1.802 -3.207 8.395
339 1HB LEU 43 2HB LEU 43 3.753 -3.558 7.027
340 2HB LEU 43 1HB LEU 43 4.715 -2.461 8.021
341 HG LEU 43 HG LEU 43 3.594 -4.401 9.768
342 1HD1 LEU 43 1HD1 LEU 43 3.294 -5.776 7.702
343 2HD1 LEU 43 2HD1 LEU 43 4.450 -6.487 8.829
344 3HD1 LEU 43 3HD1 LEU 43 5.025 -5.640 7.395
345 1HD2 LEU 43 1HD2 LEU 43 6.065 -5.029 9.964
346 2HD2 LEU 43 2HD2 LEU 43 5.687 -3.327 10.230
347 3HD2 LEU 43 3HD2 LEU 43 6.372 -3.849 8.690
348 H GLU 44 H GLU 44 4.031 -0.717 9.677
349 HA GLU 44 HA GLU 44 4.120 -1.701 12.369
350 1HB GLU 44 2HB GLU 44 4.497 0.977 11.015
351 2HB GLU 44 1HB GLU 44 4.681 0.806 12.761
352 1HG GLU 44 2HG GLU 44 6.282 -1.140 12.222
353 2HG GLU 44 1HG GLU 44 6.293 -0.512 10.575
354 H LEU 45 H LEU 45 1.702 -0.129 10.518
355 HA LEU 45 HA LEU 45 0.154 0.739 12.905
356 1HB LEU 45 2HB LEU 45 0.193 1.230 9.944
357 2HB LEU 45 1HB LEU 45 -1.301 1.536 10.832
358 HG LEU 45 HG LEU 45 1.225 2.614 11.995
359 1HD1 LEU 45 1HD1 LEU 45 1.752 3.903 10.228
360 2HD1 LEU 45 2HD1 LEU 45 0.125 4.587 10.237
361 3HD1 LEU 45 3HD1 LEU 45 0.470 3.138 9.291
362 1HD2 LEU 45 1HD2 LEU 45 -1.096 2.832 13.005
363 2HD2 LEU 45 2HD2 LEU 45 -1.518 3.854 11.632
364 3HD2 LEU 45 3HD2 LEU 45 -0.255 4.361 12.753
365 H GLY 46 H GLY 46 0.550 -2.006 10.999
366 1HA GLY 46 2HA GLY 46 -0.719 -3.979 10.863
367 2HA GLY 46 1HA GLY 46 -1.810 -3.284 12.064
368 H LEU 47 H LEU 47 -1.421 -1.127 9.523
369 HA LEU 47 HA LEU 47 -2.684 -0.644 7.571
370 1HB LEU 47 2HB LEU 47 -2.569 -3.329 7.591
371 2HB LEU 47 1HB LEU 47 -4.298 -3.131 7.874
372 HG LEU 47 HG LEU 47 -3.471 -1.298 5.822
373 1HD1 LEU 47 1HD1 LEU 47 -2.303 -2.561 4.312
374 2HD1 LEU 47 2HD1 LEU 47 -3.078 -4.063 4.815
375 3HD1 LEU 47 3HD1 LEU 47 -1.755 -3.392 5.767
376 1HD2 LEU 47 1HD2 LEU 47 -5.364 -2.129 4.763
377 2HD2 LEU 47 2HD2 LEU 47 -5.708 -2.600 6.427
378 3HD2 LEU 47 3HD2 LEU 47 -5.058 -3.783 5.290
379 H ARG 48 H ARG 48 -4.353 -1.906 10.445
380 HA ARG 48 HA ARG 48 -6.934 -0.778 9.826
381 1HB ARG 48 2HB ARG 48 -6.296 -2.646 11.445
382 2HB ARG 48 1HB ARG 48 -5.742 -1.380 12.542
383 1HG ARG 48 2HG ARG 48 -7.948 -1.689 13.247
384 2HG ARG 48 1HG ARG 48 -8.113 -0.345 12.117
385 1HD ARG 48 2HD ARG 48 -9.665 -1.626 11.054
386 2HD ARG 48 1HD ARG 48 -8.302 -2.612 10.489
387 HE ARG 48 HE ARG 48 -8.733 -3.557 13.043
388 1HH1 ARG 48 1HH1 ARG 48 -10.220 -3.622 9.982
389 2HH1 ARG 48 2HH1 ARG 48 -11.538 -4.633 10.473
390 1HH2 ARG 48 1HH2 ARG 48 -10.660 -4.603 13.827
391 2HH2 ARG 48 2HH2 ARG 48 -11.788 -5.186 12.650
392 H VAL 49 H VAL 49 -4.659 0.225 12.417
393 HA VAL 49 HA VAL 49 -5.732 2.657 13.138
394 HB VAL 49 HB VAL 49 -2.797 2.115 12.592
395 1HG1 VAL 49 1HG1 VAL 49 -4.305 4.224 13.950
396 2HG1 VAL 49 2HG1 VAL 49 -2.615 4.202 13.447
397 3HG1 VAL 49 3HG1 VAL 49 -3.087 3.484 14.987
398 1HG2 VAL 49 1HG2 VAL 49 -3.502 1.618 15.299
399 2HG2 VAL 49 2HG2 VAL 49 -2.948 0.448 14.101
400 3HG2 VAL 49 3HG2 VAL 49 -4.673 0.756 14.302
401 H TYR 50 H TYR 50 -3.945 1.957 10.162
402 HA TYR 50 HA TYR 50 -3.705 4.730 9.321
403 1HB TYR 50 2HB TYR 50 -2.166 3.095 8.489
404 2HB TYR 50 1HB TYR 50 -3.472 2.023 7.984
405 HD1 TYR 50 1HD TYR 50 -3.738 1.922 5.679
406 HD2 TYR 50 2HD TYR 50 -2.652 5.659 7.496
407 HE1 TYR 50 1HE TYR 50 -3.781 3.016 3.454
408 HE2 TYR 50 2HE TYR 50 -2.695 6.754 5.271
409 HH TYR 50 HH TYR 50 -3.461 4.892 2.324
410 H GLU 51 H GLU 51 -5.554 2.097 7.739
411 HA GLU 51 HA GLU 51 -7.278 3.762 6.252
412 1HB GLU 51 2HB GLU 51 -6.702 1.128 6.480
413 2HB GLU 51 1HB GLU 51 -8.259 1.164 7.302
414 1HG GLU 51 2HG GLU 51 -8.354 2.765 4.898
415 2HG GLU 51 1HG GLU 51 -7.807 1.131 4.526
416 H ALA 52 H ALA 52 -7.311 2.935 9.633
417 HA ALA 52 HA ALA 52 -10.072 3.235 10.253
418 1HB ALA 52 1HB ALA 52 -9.125 3.796 12.526
419 2HB ALA 52 2HB ALA 52 -7.527 3.850 11.783
420 3HB ALA 52 3HB ALA 52 -8.437 2.340 11.808
421 H GLN 53 H GLN 53 -7.612 5.608 9.478
422 HA GLN 53 HA GLN 53 -8.558 7.962 10.648
423 1HB GLN 53 2HB GLN 53 -7.514 9.053 8.700
424 2HB GLN 53 1HB GLN 53 -6.537 7.682 9.230
425 1HG GLN 53 2HG GLN 53 -7.795 6.285 7.504
426 2HG GLN 53 1HG GLN 53 -8.421 7.807 6.869
427 1HE2 GLN 53 1HE2 GLN 53 -6.801 9.380 6.016
428 2HE2 GLN 53 2HE2 GLN 53 -5.286 8.826 5.486
429 H MET 54 H MET 54 -9.739 6.398 7.659
430 HA MET 54 HA MET 54 -12.364 7.710 8.026
431 1HB MET 54 2HB MET 54 -10.619 8.118 5.575
432 2HB MET 54 1HB MET 54 -12.244 8.765 5.802
433 1HG MET 54 2HG MET 54 -11.370 9.930 7.882
434 2HG MET 54 1HG MET 54 -9.750 9.460 7.369
435 1HE MET 54 1HE MET 54 -12.768 12.107 5.234
436 2HE MET 54 2HE MET 54 -13.031 10.702 6.266
437 3HE MET 54 3HE MET 54 -12.589 10.475 4.576
438 H GLU 55 H GLU 55 -10.629 6.179 5.289
439 HA GLU 55 HA GLU 55 -11.907 3.619 5.511
440 1HB GLU 55 2HB GLU 55 -13.958 4.786 5.117
441 2HB GLU 55 1HB GLU 55 -13.237 5.762 3.837
442 1HG GLU 55 2HG GLU 55 -13.281 4.026 2.295
443 2HG GLU 55 1HG GLU 55 -13.241 2.780 3.543
444 H ARG 56 H ARG 56 -11.360 2.244 3.676
445 HA ARG 56 HA ARG 56 -8.862 2.595 2.487
446 1HB ARG 56 2HB ARG 56 -9.956 0.474 2.450
447 2HB ARG 56 1HB ARG 56 -11.367 1.136 1.623
448 1HG ARG 56 2HG ARG 56 -8.986 1.665 0.077
449 2HG ARG 56 1HG ARG 56 -9.102 -0.059 0.434
450 1HD ARG 56 2HD ARG 56 -10.583 -0.174 -1.289
451 2HD ARG 56 1HD ARG 56 -11.723 0.684 -0.232
452 HE ARG 56 HE ARG 56 -10.062 2.678 -1.263
453 1HH1 ARG 56 1HH2 ARG 56 -12.462 0.438 -2.276
454 2HH1 ARG 56 2HH2 ARG 56 -12.740 1.212 -3.799
455 1HH2 ARG 56 1HH1 ARG 56 -10.272 3.602 -3.337
456 2HH2 ARG 56 2HH1 ARG 56 -11.502 3.003 -4.400
Start of MODEL 11
1 1H ALA 2 1H ALA 2 -5.505 -27.009 1.396
2 2H ALA 2 2H ALA 2 -5.564 -26.206 -0.100
3 3H ALA 2 3H ALA 2 -6.437 -25.602 1.227
4 HA ALA 2 HA ALA 2 -4.623 -24.204 1.263
5 1HB ALA 2 1HB ALA 2 -3.207 -25.141 3.119
6 2HB ALA 2 2HB ALA 2 -3.980 -26.704 2.857
7 3HB ALA 2 3HB ALA 2 -4.937 -25.327 3.402
8 H LYS 3 H LYS 3 -2.602 -23.694 0.384
9 HA LYS 3 HA LYS 3 -1.239 -25.883 -1.147
10 1HB LYS 3 2HB LYS 3 -2.375 -23.834 -2.255
11 2HB LYS 3 1HB LYS 3 -1.018 -22.906 -1.614
12 1HG LYS 3 2HG LYS 3 0.304 -25.006 -2.732
13 2HG LYS 3 1HG LYS 3 -1.080 -24.883 -3.818
14 1HD LYS 3 2HD LYS 3 0.266 -23.326 -4.839
15 2HD LYS 3 1HD LYS 3 -0.458 -22.269 -3.626
16 1HE LYS 3 2HE LYS 3 1.752 -21.818 -3.140
17 2HE LYS 3 1HE LYS 3 1.614 -23.310 -2.188
18 1HZ LYS 3 1HZ LYS 3 2.107 -24.480 -4.385
19 2HZ LYS 3 2HZ LYS 3 3.407 -23.713 -3.603
20 3HZ LYS 3 3HZ LYS 3 2.656 -22.972 -4.935
21 H VAL 4 H VAL 4 -0.028 -26.395 0.885
22 HA VAL 4 HA VAL 4 1.723 -26.053 2.466
23 HB VAL 4 HB VAL 4 3.827 -25.606 1.152
24 1HG1 VAL 4 1HG1 VAL 4 3.699 -27.784 0.598
25 2HG1 VAL 4 2HG1 VAL 4 2.558 -27.426 -0.697
26 3HG1 VAL 4 3HG1 VAL 4 1.970 -27.728 0.940
27 1HG2 VAL 4 1HG2 VAL 4 3.684 -25.174 -1.218
28 2HG2 VAL 4 2HG2 VAL 4 2.707 -23.951 -0.412
29 3HG2 VAL 4 3HG2 VAL 4 1.930 -25.326 -1.198
30 H GLN 5 H GLN 5 0.541 -24.167 3.499
31 HA GLN 5 HA GLN 5 0.645 -21.997 4.430
32 1HB GLN 5 2HB GLN 5 3.340 -21.899 3.048
33 2HB GLN 5 1HB GLN 5 2.854 -21.053 4.519
34 1HG GLN 5 2HG GLN 5 2.382 -23.501 5.397
35 2HG GLN 5 1HG GLN 5 3.531 -23.948 4.136
36 1HE2 GLN 5 1HE2 GLN 5 5.417 -24.370 5.352
37 2HE2 GLN 5 2HE2 GLN 5 6.139 -23.247 6.402
38 H ALA 6 H ALA 6 0.436 -19.736 3.759
39 HA ALA 6 HA ALA 6 0.361 -19.326 0.789
40 1HB ALA 6 1HB ALA 6 -1.736 -19.099 2.894
41 2HB ALA 6 2HB ALA 6 -1.895 -19.557 1.197
42 3HB ALA 6 3HB ALA 6 -1.737 -17.857 1.641
43 H TYR 7 H TYR 7 2.173 -17.944 0.709
44 HA TYR 7 HA TYR 7 2.029 -15.480 2.419
45 1HB TYR 7 2HB TYR 7 4.582 -15.522 1.895
46 2HB TYR 7 1HB TYR 7 3.954 -16.683 3.063
47 HD1 TYR 7 1HD TYR 7 4.188 -19.007 2.705
48 HD2 TYR 7 2HD TYR 7 4.829 -16.278 -0.550
49 HE1 TYR 7 1HE TYR 7 5.026 -20.873 1.304
50 HE2 TYR 7 2HE TYR 7 5.666 -18.144 -1.950
51 HH TYR 7 HH TYR 7 5.832 -21.471 -0.668
52 H VAL 8 H VAL 8 0.556 -15.369 0.100
53 HA VAL 8 HA VAL 8 2.324 -13.918 -1.842
54 HB VAL 8 HB VAL 8 -0.372 -15.263 -2.220
55 1HG1 VAL 8 1HG1 VAL 8 1.129 -14.933 -4.628
56 2HG1 VAL 8 2HG1 VAL 8 1.078 -13.374 -3.804
57 3HG1 VAL 8 3HG1 VAL 8 -0.423 -14.208 -4.205
58 1HG2 VAL 8 1HG2 VAL 8 1.924 -16.580 -1.750
59 2HG2 VAL 8 2HG2 VAL 8 2.142 -16.271 -3.474
60 3HG2 VAL 8 3HG2 VAL 8 0.732 -17.167 -2.910
61 H SER 9 H SER 9 1.737 -12.270 0.160
62 HA SER 9 HA SER 9 -0.877 -10.951 -0.218
63 1HB SER 9 2HB SER 9 1.099 -11.231 1.802
64 2HB SER 9 1HB SER 9 1.010 -9.513 1.420
65 HG SER 9 HG SER 9 -1.302 -11.092 1.807
66 H ASP 10 H ASP 10 0.429 -10.805 -2.628
67 HA ASP 10 HA ASP 10 2.203 -8.609 -3.016
68 1HB ASP 10 2HB ASP 10 1.495 -10.574 -4.540
69 2HB ASP 10 1HB ASP 10 0.111 -9.569 -4.972
70 H GLU 11 H GLU 11 -1.363 -8.795 -3.201
71 HA GLU 11 HA GLU 11 -2.046 -6.277 -4.133
72 1HB GLU 11 2HB GLU 11 -3.147 -8.112 -2.020
73 2HB GLU 11 1HB GLU 11 -3.939 -6.565 -2.326
74 1HG GLU 11 2HG GLU 11 -3.246 -8.260 -4.687
75 2HG GLU 11 1HG GLU 11 -4.611 -8.760 -3.688
76 H ILE 12 H ILE 12 -1.183 -7.077 -0.747
77 HA ILE 12 HA ILE 12 -1.554 -4.567 0.450
78 HB ILE 12 HB ILE 12 0.444 -6.803 0.823
79 1HG1 ILE 12 2HG1 ILE 12 -1.989 -7.151 1.328
80 2HG1 ILE 12 1HG1 ILE 12 -0.957 -7.317 2.749
81 1HG2 ILE 12 1HG2 ILE 12 0.409 -4.113 2.047
82 2HG2 ILE 12 2HG2 ILE 12 1.718 -5.292 1.956
83 3HG2 ILE 12 3HG2 ILE 12 0.478 -5.446 3.201
84 1HD1 ILE 12 1HD1 ILE 12 -1.977 -5.593 3.780
85 2HD1 ILE 12 2HD1 ILE 12 -3.170 -5.611 2.480
86 3HD1 ILE 12 3HD1 ILE 12 -1.762 -4.554 2.372
87 H VAL 13 H VAL 13 1.382 -5.759 -1.225
88 HA VAL 13 HA VAL 13 2.959 -3.404 -0.881
89 HB VAL 13 HB VAL 13 2.875 -5.566 -3.006
90 1HG1 VAL 13 1HG1 VAL 13 5.446 -4.274 -2.579
91 2HG1 VAL 13 2HG1 VAL 13 4.234 -3.120 -3.134
92 3HG1 VAL 13 3HG1 VAL 13 4.580 -4.562 -4.089
93 1HG2 VAL 13 1HG2 VAL 13 5.141 -5.607 -1.229
94 2HG2 VAL 13 2HG2 VAL 13 3.894 -6.836 -1.450
95 3HG2 VAL 13 3HG2 VAL 13 3.658 -5.540 -0.276
96 H TYR 14 H TYR 14 0.522 -4.277 -3.301
97 HA TYR 14 HA TYR 14 1.045 -2.202 -5.194
98 1HB TYR 14 2HB TYR 14 -0.560 -4.355 -5.046
99 2HB TYR 14 1HB TYR 14 -1.742 -3.110 -4.640
100 HD1 TYR 14 1HD TYR 14 -1.572 -4.877 -7.210
101 HD2 TYR 14 2HD TYR 14 -0.261 -0.895 -6.274
102 HE1 TYR 14 1HE TYR 14 -1.745 -4.257 -9.606
103 HE2 TYR 14 2HE TYR 14 -0.435 -0.274 -8.668
104 HH TYR 14 HH TYR 14 -0.313 -1.873 -10.993
105 H LYS 15 H LYS 15 -1.302 -2.315 -2.485
106 HA LYS 15 HA LYS 15 -2.429 0.244 -2.747
107 1HB LYS 15 2HB LYS 15 -2.679 -1.831 -1.061
108 2HB LYS 15 1HB LYS 15 -1.713 -0.772 -0.031
109 1HG LYS 15 2HG LYS 15 -3.872 -0.075 0.504
110 2HG LYS 15 1HG LYS 15 -3.450 1.061 -0.780
111 1HD LYS 15 2HD LYS 15 -5.099 0.278 -2.098
112 2HD LYS 15 1HD LYS 15 -4.531 -1.380 -1.903
113 1HE LYS 15 2HE LYS 15 -5.929 -0.196 0.445
114 2HE LYS 15 1HE LYS 15 -6.934 -0.574 -0.968
115 1HZ LYS 15 1HZ LYS 15 -5.087 -2.398 0.472
116 2HZ LYS 15 2HZ LYS 15 -5.760 -2.763 -1.044
117 3HZ LYS 15 3HZ LYS 15 -6.768 -2.556 0.308
118 H ILE 16 H ILE 16 0.755 -0.666 -1.552
119 HA ILE 16 HA ILE 16 1.349 1.882 -0.282
120 HB ILE 16 HB ILE 16 3.178 -0.287 -1.357
121 1HG1 ILE 16 2HG1 ILE 16 1.355 -1.095 0.197
122 2HG1 ILE 16 1HG1 ILE 16 2.988 -1.333 0.818
123 1HG2 ILE 16 1HG2 ILE 16 4.818 0.577 0.130
124 2HG2 ILE 16 2HG2 ILE 16 3.636 1.566 0.988
125 3HG2 ILE 16 3HG2 ILE 16 4.125 1.998 -0.650
126 1HD1 ILE 16 1HD1 ILE 16 0.837 0.190 1.971
127 2HD1 ILE 16 2HD1 ILE 16 2.192 1.263 1.625
128 3HD1 ILE 16 3HD1 ILE 16 2.429 -0.155 2.647
129 H ASN 17 H ASN 17 2.727 0.378 -3.241
130 HA ASN 17 HA ASN 17 4.141 2.492 -4.311
131 1HB ASN 17 2HB ASN 17 2.417 0.316 -5.460
132 2HB ASN 17 1HB ASN 17 3.119 1.506 -6.557
133 1HD2 ASN 17 1HD2 ASN 17 3.744 -1.510 -5.513
134 2HD2 ASN 17 2HD2 ASN 17 5.440 -1.483 -5.456
135 H LYS 18 H LYS 18 0.649 2.239 -4.039
136 HA LYS 18 HA LYS 18 0.061 4.443 -5.858
137 1HB LYS 18 2HB LYS 18 -1.447 2.938 -3.701
138 2HB LYS 18 1HB LYS 18 -2.193 4.217 -4.660
139 1HG LYS 18 2HG LYS 18 -2.166 2.971 -6.604
140 2HG LYS 18 1HG LYS 18 -0.742 2.051 -6.116
141 1HD LYS 18 2HD LYS 18 -2.020 0.705 -4.598
142 2HD LYS 18 1HD LYS 18 -3.429 1.754 -4.759
143 1HE LYS 18 2HE LYS 18 -2.285 0.400 -7.199
144 2HE LYS 18 1HE LYS 18 -3.401 -0.471 -6.128
145 1HZ LYS 18 1HZ LYS 18 -3.919 2.242 -7.220
146 2HZ LYS 18 2HZ LYS 18 -4.997 1.273 -6.332
147 3HZ LYS 18 3HZ LYS 18 -4.537 0.819 -7.903
148 H ILE 19 H ILE 19 -0.272 4.132 -2.298
149 HA ILE 19 HA ILE 19 -0.712 6.805 -1.628
150 HB ILE 19 HB ILE 19 0.961 4.667 -0.269
151 1HG1 ILE 19 2HG1 ILE 19 -1.824 5.485 0.499
152 2HG1 ILE 19 1HG1 ILE 19 -1.595 4.408 -0.880
153 1HG2 ILE 19 1HG2 ILE 19 -0.031 6.174 1.752
154 2HG2 ILE 19 2HG2 ILE 19 0.198 7.423 0.528
155 3HG2 ILE 19 3HG2 ILE 19 1.564 6.438 1.050
156 1HD1 ILE 19 1HD1 ILE 19 -1.748 3.576 1.732
157 2HD1 ILE 19 2HD1 ILE 19 -0.005 3.679 1.490
158 3HD1 ILE 19 3HD1 ILE 19 -0.984 2.660 0.434
159 H VAL 20 H VAL 20 2.496 5.203 -1.798
160 HA VAL 20 HA VAL 20 4.196 7.351 -1.334
161 HB VAL 20 HB VAL 20 5.579 6.139 -3.257
162 1HG1 VAL 20 1HG1 VAL 20 6.153 5.877 -0.957
163 2HG1 VAL 20 2HG1 VAL 20 5.999 4.252 -1.625
164 3HG1 VAL 20 3HG1 VAL 20 4.703 4.928 -0.638
165 1HG2 VAL 20 1HG2 VAL 20 4.600 4.392 -4.283
166 2HG2 VAL 20 2HG2 VAL 20 3.075 4.910 -3.572
167 3HG2 VAL 20 3HG2 VAL 20 4.071 3.719 -2.742
168 H GLU 21 H GLU 21 3.415 6.372 -4.675
169 HA GLU 21 HA GLU 21 4.252 8.641 -6.039
170 1HB GLU 21 2HB GLU 21 1.969 6.707 -6.410
171 2HB GLU 21 1HB GLU 21 2.255 7.989 -7.588
172 1HG GLU 21 2HG GLU 21 4.728 6.631 -6.873
173 2HG GLU 21 1HG GLU 21 3.531 5.503 -7.511
174 H ARG 22 H ARG 22 1.365 8.293 -4.053
175 HA ARG 22 HA ARG 22 -0.007 10.657 -5.007
176 1HB ARG 22 2HB ARG 22 -0.320 8.525 -3.102
177 2HB ARG 22 1HB ARG 22 -0.668 10.058 -2.303
178 1HG ARG 22 2HG ARG 22 -2.293 10.642 -4.003
179 2HG ARG 22 1HG ARG 22 -1.864 9.222 -4.958
180 1HD ARG 22 2HD ARG 22 -2.465 8.041 -2.572
181 2HD ARG 22 1HD ARG 22 -3.586 9.416 -2.555
182 HE ARG 22 HE ARG 22 -3.479 8.040 -5.133
183 1HH1 ARG 22 1HH2 ARG 22 -4.315 6.577 -2.350
184 2HH1 ARG 22 2HH2 ARG 22 -6.019 6.480 -2.647
185 1HH2 ARG 22 1HH1 ARG 22 -5.935 8.613 -5.379
186 2HH2 ARG 22 2HH1 ARG 22 -6.936 7.631 -4.363
187 H ARG 23 H ARG 23 2.355 10.041 -2.426
188 HA ARG 23 HA ARG 23 2.252 12.321 -0.868
189 1HB ARG 23 2HB ARG 23 4.016 10.258 -1.357
190 2HB ARG 23 1HB ARG 23 4.956 11.671 -1.842
191 1HG ARG 23 2HG ARG 23 5.437 11.719 0.404
192 2HG ARG 23 1HG ARG 23 3.922 12.621 0.454
193 1HD ARG 23 2HD ARG 23 2.689 10.743 1.207
194 2HD ARG 23 1HD ARG 23 3.958 9.606 0.706
195 HE ARG 23 HE ARG 23 5.071 10.069 2.734
196 1HH1 ARG 23 1HH1 ARG 23 2.174 11.506 3.104
197 2HH1 ARG 23 2HH1 ARG 23 2.711 12.859 4.041
198 1HH2 ARG 23 1HH2 ARG 23 6.076 12.284 3.434
199 2HH2 ARG 23 2HH2 ARG 23 4.920 13.301 4.227
200 H ARG 24 H ARG 24 3.740 12.070 -4.111
201 HA ARG 24 HA ARG 24 4.587 14.845 -4.190
202 1HB ARG 24 2HB ARG 24 4.477 12.455 -5.939
203 2HB ARG 24 1HB ARG 24 4.450 13.999 -6.789
204 1HG ARG 24 2HG ARG 24 6.483 14.709 -5.612
205 2HG ARG 24 1HG ARG 24 6.502 13.195 -4.705
206 1HD ARG 24 2HD ARG 24 6.329 12.331 -7.342
207 2HD ARG 24 1HD ARG 24 7.430 13.720 -7.435
208 HE ARG 24 HE ARG 24 7.933 11.872 -5.196
209 1HH1 ARG 24 1HH2 ARG 24 8.364 12.183 -8.569
210 2HH1 ARG 24 2HH2 ARG 24 10.039 11.740 -8.547
211 1HH2 ARG 24 1HH1 ARG 24 10.224 11.582 -5.089
212 2HH2 ARG 24 2HH1 ARG 24 11.092 11.400 -6.577
213 H ALA 25 H ALA 25 2.036 13.143 -6.066
214 HA ALA 25 HA ALA 25 0.759 15.299 -7.252
215 1HB ALA 25 1HB ALA 25 0.096 12.608 -6.326
216 2HB ALA 25 2HB ALA 25 -0.427 13.439 -7.791
217 3HB ALA 25 3HB ALA 25 -1.308 13.675 -6.282
218 H GLU 26 H GLU 26 0.797 14.420 -3.862
219 HA GLU 26 HA GLU 26 -1.314 16.307 -3.119
220 1HB GLU 26 2HB GLU 26 0.295 14.150 -1.939
221 2HB GLU 26 1HB GLU 26 -0.003 15.486 -0.826
222 1HG GLU 26 2HG GLU 26 -2.450 15.036 -2.160
223 2HG GLU 26 1HG GLU 26 -1.834 13.440 -1.730
224 H GLY 27 H GLY 27 2.221 16.188 -3.212
225 1HA GLY 27 2HA GLY 27 3.203 18.538 -3.475
226 2HA GLY 27 1HA GLY 27 2.274 18.940 -2.030
227 H ALA 28 H ALA 28 4.287 16.099 -2.846
228 HA ALA 28 HA ALA 28 5.336 15.672 -0.269
229 1HB ALA 28 1HB ALA 28 7.329 14.789 -1.839
230 2HB ALA 28 2HB ALA 28 6.117 15.074 -3.089
231 3HB ALA 28 3HB ALA 28 5.772 13.962 -1.763
232 H LYS 29 H LYS 29 8.057 15.819 -0.269
233 HA LYS 29 HA LYS 29 8.684 18.722 -0.691
234 1HB LYS 29 2HB LYS 29 8.769 16.959 1.705
235 2HB LYS 29 1HB LYS 29 10.114 18.086 1.516
236 1HG LYS 29 2HG LYS 29 8.102 19.773 0.965
237 2HG LYS 29 1HG LYS 29 7.225 18.645 2.000
238 1HD LYS 29 2HD LYS 29 9.825 19.263 3.127
239 2HD LYS 29 1HD LYS 29 8.898 20.737 2.842
240 1HE LYS 29 2HE LYS 29 6.947 19.656 4.028
241 2HE LYS 29 1HE LYS 29 8.030 18.319 4.462
242 1HZ LYS 29 1HZ LYS 29 8.061 19.991 6.193
243 2HZ LYS 29 2HZ LYS 29 8.468 21.197 5.065
244 3HZ LYS 29 3HZ LYS 29 9.566 19.948 5.415
245 H SER 30 H SER 30 10.147 15.521 0.008
246 HA SER 30 HA SER 30 12.264 16.140 -2.007
247 1HB SER 30 2HB SER 30 12.493 15.735 0.930
248 2HB SER 30 1HB SER 30 13.708 14.930 -0.058
249 HG SER 30 HG SER 30 14.607 16.827 -0.116
250 H THR 31 H THR 31 13.792 13.862 -1.693
251 HA THR 31 HA THR 31 11.969 11.775 -2.705
252 HB THR 31 HB THR 31 14.202 12.464 -3.703
253 HG1 THR 31 1HG THR 31 14.580 10.423 -4.323
254 1HG2 THR 31 1HG2 THR 31 15.786 10.765 -1.995
255 2HG2 THR 31 2HG2 THR 31 15.040 12.047 -1.040
256 3HG2 THR 31 3HG2 THR 31 16.051 12.454 -2.427
257 H ASP 32 H ASP 32 12.949 12.697 0.334
258 HA ASP 32 HA ASP 32 13.850 10.412 1.686
259 1HB ASP 32 2HB ASP 32 12.035 12.720 2.363
260 2HB ASP 32 1HB ASP 32 12.369 11.477 3.570
261 H VAL 33 H VAL 33 10.672 11.063 0.344
262 HA VAL 33 HA VAL 33 9.343 8.895 1.809
263 HB VAL 33 HB VAL 33 8.293 11.042 0.993
264 1HG1 VAL 33 1HG1 VAL 33 8.601 9.675 -1.699
265 2HG1 VAL 33 2HG1 VAL 33 9.443 11.138 -1.185
266 3HG1 VAL 33 3HG1 VAL 33 7.693 11.158 -1.403
267 1HG2 VAL 33 1HG2 VAL 33 6.205 10.012 0.429
268 2HG2 VAL 33 2HG2 VAL 33 7.032 8.874 1.492
269 3HG2 VAL 33 3HG2 VAL 33 7.010 8.598 -0.251
270 H SER 34 H SER 34 8.778 6.862 0.927
271 HA SER 34 HA SER 34 9.228 6.136 -1.839
272 1HB SER 34 2HB SER 34 11.493 6.319 -0.187
273 2HB SER 34 1HB SER 34 11.153 4.595 -0.298
274 HG SER 34 HG SER 34 12.488 5.441 -2.014
275 H PHE 35 H PHE 35 9.360 3.533 -1.886
276 HA PHE 35 HA PHE 35 6.960 2.502 -0.810
277 1HB PHE 35 2HB PHE 35 8.182 1.510 -2.675
278 2HB PHE 35 1HB PHE 35 9.554 1.154 -1.625
279 HD1 PHE 35 1HD PHE 35 9.709 -0.970 -0.679
280 HD2 PHE 35 2HD PHE 35 5.853 0.550 -1.813
281 HE1 PHE 35 1HE PHE 35 8.671 -3.133 -0.049
282 HE2 PHE 35 2HE PHE 35 4.816 -1.613 -1.183
283 HZ PHE 35 HZ PHE 35 6.225 -3.454 -0.301
284 H SER 36 H SER 36 10.259 1.615 0.291
285 HA SER 36 HA SER 36 9.605 0.228 2.620
286 1HB SER 36 2HB SER 36 11.864 1.867 1.609
287 2HB SER 36 1HB SER 36 11.865 1.563 3.344
288 HG SER 36 HG SER 36 12.413 -0.112 1.288
289 H SER 37 H SER 37 10.092 3.766 2.313
290 HA SER 37 HA SER 37 9.604 4.427 5.045
291 1HB SER 37 2HB SER 37 10.566 6.095 3.720
292 2HB SER 37 1HB SER 37 9.465 5.801 2.379
293 HG SER 37 HG SER 37 8.663 6.834 4.897
294 H ILE 38 H ILE 38 7.334 4.950 2.316
295 HA ILE 38 HA ILE 38 5.030 5.460 3.859
296 HB ILE 38 HB ILE 38 5.568 4.312 1.120
297 1HG1 ILE 38 2HG1 ILE 38 6.009 6.733 1.671
298 2HG1 ILE 38 1HG1 ILE 38 4.818 6.504 0.393
299 1HG2 ILE 38 1HG2 ILE 38 2.915 5.150 1.116
300 2HG2 ILE 38 2HG2 ILE 38 3.058 4.244 2.622
301 3HG2 ILE 38 3HG2 ILE 38 3.467 3.477 1.088
302 1HD1 ILE 38 1HD1 ILE 38 3.587 6.501 3.033
303 2HD1 ILE 38 2HD1 ILE 38 3.187 7.466 1.612
304 3HD1 ILE 38 3HD1 ILE 38 4.458 8.001 2.712
305 H SER 39 H SER 39 6.367 2.347 2.763
306 HA SER 39 HA SER 39 4.138 0.764 3.750
307 1HB SER 39 2HB SER 39 5.786 0.185 1.921
308 2HB SER 39 1HB SER 39 7.004 -0.043 3.173
309 HG SER 39 HG SER 39 6.084 -2.018 2.817
310 H THR 40 H THR 40 7.464 1.349 4.952
311 HA THR 40 HA THR 40 7.449 -0.215 7.266
312 HB THR 40 HB THR 40 8.596 2.532 6.694
313 HG1 THR 40 1HG THR 40 9.791 -0.036 6.745
314 1HG2 THR 40 1HG2 THR 40 8.520 1.031 9.165
315 2HG2 THR 40 2HG2 THR 40 9.197 2.630 8.859
316 3HG2 THR 40 3HG2 THR 40 10.180 1.190 8.592
317 H MET 41 H MET 41 6.146 3.099 6.895
318 HA MET 41 HA MET 41 5.386 3.417 9.653
319 1HB MET 41 2HB MET 41 4.017 5.282 8.674
320 2HB MET 41 1HB MET 41 5.689 5.281 8.118
321 1HG MET 41 2HG MET 41 5.126 4.622 5.981
322 2HG MET 41 1HG MET 41 3.696 3.744 6.516
323 1HE MET 41 1HE MET 41 1.981 4.098 5.764
324 2HE MET 41 2HE MET 41 1.686 5.359 4.567
325 3HE MET 41 3HE MET 41 0.926 5.463 6.154
326 H LEU 42 H LEU 42 3.783 1.943 6.876
327 HA LEU 42 HA LEU 42 1.124 1.859 7.994
328 1HB LEU 42 2HB LEU 42 2.513 1.113 5.634
329 2HB LEU 42 1HB LEU 42 1.711 -0.341 6.228
330 HG LEU 42 HG LEU 42 0.419 2.336 5.645
331 1HD1 LEU 42 1HD1 LEU 42 -0.371 1.378 3.735
332 2HD1 LEU 42 2HD1 LEU 42 -0.616 -0.188 4.509
333 3HD1 LEU 42 3HD1 LEU 42 0.989 0.274 3.941
334 1HD2 LEU 42 1HD2 LEU 42 -0.393 0.072 7.360
335 2HD2 LEU 42 2HD2 LEU 42 -1.611 0.573 6.187
336 3HD2 LEU 42 3HD2 LEU 42 -0.974 1.738 7.347
337 H LEU 43 H LEU 43 3.737 -0.591 7.839
338 HA LEU 43 HA LEU 43 2.311 -2.603 9.303
339 1HB LEU 43 2HB LEU 43 4.614 -2.429 7.862
340 2HB LEU 43 1HB LEU 43 5.263 -2.490 9.503
341 HG LEU 43 HG LEU 43 3.389 -4.422 9.697
342 1HD1 LEU 43 1HD1 LEU 43 2.570 -4.461 7.489
343 2HD1 LEU 43 2HD1 LEU 43 3.752 -5.769 7.497
344 3HD1 LEU 43 3HD1 LEU 43 4.170 -4.207 6.793
345 1HD2 LEU 43 1HD2 LEU 43 5.403 -5.956 8.845
346 2HD2 LEU 43 2HD2 LEU 43 5.519 -5.054 10.356
347 3HD2 LEU 43 3HD2 LEU 43 6.274 -4.421 8.893
348 H GLU 44 H GLU 44 3.811 0.324 10.344
349 HA GLU 44 HA GLU 44 4.604 -0.455 13.005
350 1HB GLU 44 2HB GLU 44 3.923 2.056 11.510
351 2HB GLU 44 1HB GLU 44 4.024 2.143 13.268
352 1HG GLU 44 2HG GLU 44 6.248 0.628 12.191
353 2HG GLU 44 1HG GLU 44 6.172 2.230 11.456
354 H LEU 45 H LEU 45 1.604 0.457 11.470
355 HA LEU 45 HA LEU 45 0.116 0.346 14.049
356 1HB LEU 45 2HB LEU 45 -0.241 1.476 11.298
357 2HB LEU 45 1HB LEU 45 -1.691 1.090 12.225
358 HG LEU 45 HG LEU 45 -0.309 2.376 14.138
359 1HD1 LEU 45 1HD1 LEU 45 1.601 3.181 13.172
360 2HD1 LEU 45 2HD1 LEU 45 0.524 4.459 12.604
361 3HD1 LEU 45 3HD1 LEU 45 0.927 3.109 11.545
362 1HD2 LEU 45 1HD2 LEU 45 -2.444 3.190 13.720
363 2HD2 LEU 45 2HD2 LEU 45 -2.162 3.332 11.987
364 3HD2 LEU 45 3HD2 LEU 45 -1.472 4.521 13.091
365 H GLY 46 H GLY 46 1.018 -1.651 11.466
366 1HA GLY 46 2HA GLY 46 0.401 -3.913 11.111
367 2HA GLY 46 1HA GLY 46 -0.907 -3.710 12.279
368 H LEU 47 H LEU 47 -0.652 -1.309 9.805
369 HA LEU 47 HA LEU 47 -2.020 -0.852 7.930
370 1HB LEU 47 2HB LEU 47 -1.231 -3.507 7.829
371 2HB LEU 47 1HB LEU 47 -2.985 -3.616 7.670
372 HG LEU 47 HG LEU 47 -2.361 -1.486 6.024
373 1HD1 LEU 47 1HD1 LEU 47 -0.538 -2.572 4.556
374 2HD1 LEU 47 2HD1 LEU 47 -0.145 -3.537 5.978
375 3HD1 LEU 47 3HD1 LEU 47 -0.009 -1.780 6.040
376 1HD2 LEU 47 1HD2 LEU 47 -3.902 -3.447 5.638
377 2HD2 LEU 47 2HD2 LEU 47 -2.487 -4.400 5.192
378 3HD2 LEU 47 3HD2 LEU 47 -2.948 -3.000 4.224
379 H ARG 48 H ARG 48 -3.116 -1.661 10.886
380 HA ARG 48 HA ARG 48 -5.919 -2.252 10.385
381 1HB ARG 48 2HB ARG 48 -4.071 -1.741 12.629
382 2HB ARG 48 1HB ARG 48 -5.736 -1.240 12.932
383 1HG ARG 48 2HG ARG 48 -5.211 -3.932 11.712
384 2HG ARG 48 1HG ARG 48 -5.003 -3.716 13.450
385 1HD ARG 48 2HD ARG 48 -7.431 -2.447 12.936
386 2HD ARG 48 1HD ARG 48 -7.479 -3.891 11.901
387 HE ARG 48 HE ARG 48 -7.682 -3.953 14.742
388 1HH1 ARG 48 1HH2 ARG 48 -7.722 -6.088 12.343
389 2HH1 ARG 48 2HH2 ARG 48 -6.705 -7.290 13.064
390 1HH2 ARG 48 1HH1 ARG 48 -5.594 -5.207 15.605
391 2HH2 ARG 48 2HH1 ARG 48 -5.501 -6.791 14.911
392 H VAL 49 H VAL 49 -4.837 0.525 12.296
393 HA VAL 49 HA VAL 49 -6.952 2.241 11.875
394 HB VAL 49 HB VAL 49 -3.980 2.848 11.984
395 1HG1 VAL 49 1HG1 VAL 49 -6.394 4.569 11.961
396 2HG1 VAL 49 2HG1 VAL 49 -4.733 4.951 11.505
397 3HG1 VAL 49 3HG1 VAL 49 -5.201 4.939 13.206
398 1HG2 VAL 49 1HG2 VAL 49 -5.820 3.140 14.311
399 2HG2 VAL 49 2HG2 VAL 49 -4.134 2.627 14.272
400 3HG2 VAL 49 3HG2 VAL 49 -5.410 1.497 13.821
401 H TYR 50 H TYR 50 -4.245 1.657 9.644
402 HA TYR 50 HA TYR 50 -4.591 3.724 7.785
403 1HB TYR 50 2HB TYR 50 -2.802 2.093 7.654
404 2HB TYR 50 1HB TYR 50 -3.957 0.778 7.422
405 HD1 TYR 50 1HD TYR 50 -3.025 4.082 5.909
406 HD2 TYR 50 2HD TYR 50 -4.421 0.075 5.244
407 HE1 TYR 50 1HE TYR 50 -2.980 4.475 3.460
408 HE2 TYR 50 2HE TYR 50 -4.374 0.466 2.796
409 HH TYR 50 HH TYR 50 -3.255 1.943 1.192
410 H GLU 51 H GLU 51 -6.206 0.519 7.707
411 HA GLU 51 HA GLU 51 -7.903 1.059 5.496
412 1HB GLU 51 2HB GLU 51 -7.214 -1.039 7.091
413 2HB GLU 51 1HB GLU 51 -8.843 -0.712 7.670
414 1HG GLU 51 2HG GLU 51 -8.828 -0.551 4.809
415 2HG GLU 51 1HG GLU 51 -8.083 -2.072 5.296
416 H ALA 52 H ALA 52 -7.973 2.282 8.702
417 HA ALA 52 HA ALA 52 -10.780 2.574 9.158
418 1HB ALA 52 1HB ALA 52 -8.721 4.611 9.979
419 2HB ALA 52 2HB ALA 52 -8.629 2.971 10.623
420 3HB ALA 52 3HB ALA 52 -10.063 3.954 10.917
421 H GLN 53 H GLN 53 -8.420 4.784 7.627
422 HA GLN 53 HA GLN 53 -10.610 6.563 6.770
423 1HB GLN 53 2HB GLN 53 -8.807 8.096 6.285
424 2HB GLN 53 1HB GLN 53 -8.442 7.332 7.833
425 1HG GLN 53 2HG GLN 53 -7.165 5.574 6.375
426 2HG GLN 53 1HG GLN 53 -7.188 6.839 5.144
427 1HE2 GLN 53 1HE2 GLN 53 -6.055 6.101 8.451
428 2HE2 GLN 53 2HE2 GLN 53 -4.879 7.326 8.495
429 H MET 54 H MET 54 -10.469 3.926 5.541
430 HA MET 54 HA MET 54 -9.112 3.934 3.021
431 1HB MET 54 2HB MET 54 -10.954 2.338 4.541
432 2HB MET 54 1HB MET 54 -11.543 2.449 2.882
433 1HG MET 54 2HG MET 54 -8.627 1.970 3.212
434 2HG MET 54 1HG MET 54 -9.693 0.637 3.657
435 1HE MET 54 1HE MET 54 -8.088 -0.377 0.743
436 2HE MET 54 2HE MET 54 -9.636 -1.204 0.904
437 3HE MET 54 3HE MET 54 -8.749 -0.721 2.346
438 H GLU 55 H GLU 55 -12.492 4.790 3.855
439 HA GLU 55 HA GLU 55 -12.588 6.421 1.342
440 1HB GLU 55 2HB GLU 55 -13.702 4.264 0.991
441 2HB GLU 55 1HB GLU 55 -14.663 4.501 2.451
442 1HG GLU 55 2HG GLU 55 -15.572 6.614 1.397
443 2HG GLU 55 1HG GLU 55 -14.773 6.130 -0.099
444 H ARG 56 H ARG 56 -14.223 8.161 1.461
445 HA ARG 56 HA ARG 56 -15.224 8.790 4.200
446 1HB ARG 56 2HB ARG 56 -14.261 11.090 3.915
447 2HB ARG 56 1HB ARG 56 -13.025 9.833 3.983
448 1HG ARG 56 2HG ARG 56 -12.333 10.265 1.877
449 2HG ARG 56 1HG ARG 56 -13.988 10.285 1.262
450 1HD ARG 56 2HD ARG 56 -13.740 12.534 1.033
451 2HD ARG 56 1HD ARG 56 -13.778 12.625 2.805
452 HE ARG 56 HE ARG 56 -11.176 11.908 1.606
453 1HH1 ARG 56 1HH2 ARG 56 -12.906 14.735 1.624
454 2HH1 ARG 56 2HH2 ARG 56 -11.798 15.637 2.604
455 1HH2 ARG 56 1HH1 ARG 56 -9.883 12.874 3.451
456 2HH2 ARG 56 2HH1 ARG 56 -10.087 14.583 3.638
Start of MODEL 12
1 1H ALA 2 1H ALA 2 11.928 -21.381 -3.770
2 2H ALA 2 2H ALA 2 12.448 -21.666 -2.176
3 3H ALA 2 3H ALA 2 13.120 -22.550 -3.463
4 HA ALA 2 HA ALA 2 14.474 -20.597 -2.489
5 1HB ALA 2 1HB ALA 2 14.927 -20.091 -5.093
6 2HB ALA 2 2HB ALA 2 13.889 -21.506 -5.269
7 3HB ALA 2 3HB ALA 2 15.387 -21.620 -4.345
8 H LYS 3 H LYS 3 12.972 -19.436 -5.457
9 HA LYS 3 HA LYS 3 12.630 -16.767 -4.253
10 1HB LYS 3 2HB LYS 3 13.604 -17.087 -6.488
11 2HB LYS 3 1HB LYS 3 12.132 -17.898 -7.026
12 1HG LYS 3 2HG LYS 3 10.891 -15.934 -7.045
13 2HG LYS 3 1HG LYS 3 11.921 -15.151 -5.845
14 1HD LYS 3 2HD LYS 3 13.175 -15.890 -8.448
15 2HD LYS 3 1HD LYS 3 12.063 -14.521 -8.444
16 1HE LYS 3 2HE LYS 3 14.150 -14.662 -6.290
17 2HE LYS 3 1HE LYS 3 14.629 -14.128 -7.913
18 1HZ LYS 3 1HZ LYS 3 12.383 -12.796 -7.686
19 2HZ LYS 3 2HZ LYS 3 13.849 -12.165 -7.107
20 3HZ LYS 3 3HZ LYS 3 12.755 -12.898 -6.035
21 H VAL 4 H VAL 4 10.886 -18.139 -2.826
22 HA VAL 4 HA VAL 4 8.386 -18.941 -3.697
23 HB VAL 4 HB VAL 4 9.116 -18.927 -1.366
24 1HG1 VAL 4 1HG1 VAL 4 8.941 -15.914 -1.660
25 2HG1 VAL 4 2HG1 VAL 4 10.397 -16.862 -1.356
26 3HG1 VAL 4 3HG1 VAL 4 9.144 -16.748 -0.119
27 1HG2 VAL 4 1HG2 VAL 4 6.619 -18.677 -2.047
28 2HG2 VAL 4 2HG2 VAL 4 6.781 -17.019 -1.468
29 3HG2 VAL 4 3HG2 VAL 4 7.053 -18.369 -0.365
30 H GLN 5 H GLN 5 6.454 -17.887 -4.328
31 HA GLN 5 HA GLN 5 6.705 -15.376 -5.725
32 1HB GLN 5 2HB GLN 5 4.340 -17.051 -4.822
33 2HB GLN 5 1HB GLN 5 4.218 -15.696 -5.946
34 1HG GLN 5 2HG GLN 5 4.693 -17.138 -7.610
35 2HG GLN 5 1HG GLN 5 6.319 -17.272 -6.934
36 1HE2 GLN 5 1HE2 GLN 5 3.694 -19.141 -7.822
37 2HE2 GLN 5 2HE2 GLN 5 3.963 -20.482 -6.816
38 H ALA 6 H ALA 6 5.541 -13.378 -5.194
39 HA ALA 6 HA ALA 6 5.052 -11.616 -3.693
40 1HB ALA 6 1HB ALA 6 3.798 -13.327 -1.706
41 2HB ALA 6 2HB ALA 6 3.356 -13.825 -3.339
42 3HB ALA 6 3HB ALA 6 3.048 -12.173 -2.808
43 H TYR 7 H TYR 7 7.405 -11.508 -3.134
44 HA TYR 7 HA TYR 7 8.178 -12.774 -0.560
45 1HB TYR 7 2HB TYR 7 9.544 -12.602 -2.780
46 2HB TYR 7 1HB TYR 7 9.848 -10.939 -2.276
47 HD1 TYR 7 1HD TYR 7 10.339 -14.501 -1.402
48 HD2 TYR 7 2HD TYR 7 11.262 -10.433 -0.384
49 HE1 TYR 7 1HE TYR 7 12.113 -15.290 0.141
50 HE2 TYR 7 2HE TYR 7 13.036 -11.222 1.161
51 HH TYR 7 HH TYR 7 14.515 -13.398 1.298
52 H VAL 8 H VAL 8 9.308 -11.302 1.049
53 HA VAL 8 HA VAL 8 9.200 -9.441 2.504
54 HB VAL 8 HB VAL 8 8.903 -8.259 -0.267
55 1HG1 VAL 8 1HG1 VAL 8 9.882 -6.316 1.553
56 2HG1 VAL 8 2HG1 VAL 8 8.423 -6.991 2.275
57 3HG1 VAL 8 3HG1 VAL 8 8.359 -6.282 0.663
58 1HG2 VAL 8 1HG2 VAL 8 11.149 -8.450 -0.311
59 2HG2 VAL 8 2HG2 VAL 8 11.065 -9.330 1.213
60 3HG2 VAL 8 3HG2 VAL 8 11.288 -7.581 1.216
61 H SER 9 H SER 9 7.037 -7.870 0.235
62 HA SER 9 HA SER 9 4.806 -8.202 2.212
63 1HB SER 9 2HB SER 9 5.091 -6.026 0.141
64 2HB SER 9 1HB SER 9 4.178 -5.989 1.647
65 HG SER 9 HG SER 9 5.942 -5.487 2.693
66 H ASP 10 H ASP 10 2.870 -9.032 1.446
67 HA ASP 10 HA ASP 10 2.801 -10.309 -1.143
68 1HB ASP 10 2HB ASP 10 0.609 -9.769 0.884
69 2HB ASP 10 1HB ASP 10 0.589 -11.014 -0.364
70 H GLU 11 H GLU 11 -0.259 -9.337 -1.049
71 HA GLU 11 HA GLU 11 -0.076 -7.552 -3.285
72 1HB GLU 11 2HB GLU 11 -2.515 -7.337 -2.874
73 2HB GLU 11 1HB GLU 11 -1.991 -9.017 -2.762
74 1HG GLU 11 2HG GLU 11 -1.718 -7.741 -0.188
75 2HG GLU 11 1HG GLU 11 -3.360 -7.520 -0.793
76 H ILE 12 H ILE 12 0.309 -7.011 0.082
77 HA ILE 12 HA ILE 12 -0.746 -4.433 0.505
78 HB ILE 12 HB ILE 12 1.735 -5.870 1.470
79 1HG1 ILE 12 2HG1 ILE 12 -0.582 -6.717 2.046
80 2HG1 ILE 12 1HG1 ILE 12 0.409 -6.292 3.443
81 1HG2 ILE 12 1HG2 ILE 12 0.557 -3.291 2.552
82 2HG2 ILE 12 2HG2 ILE 12 2.064 -3.409 1.642
83 3HG2 ILE 12 3HG2 ILE 12 1.929 -4.174 3.225
84 1HD1 ILE 12 1HD1 ILE 12 -1.610 -4.429 2.162
85 2HD1 ILE 12 2HD1 ILE 12 -0.708 -4.144 3.650
86 3HD1 ILE 12 3HD1 ILE 12 -1.934 -5.411 3.589
87 H VAL 13 H VAL 13 2.151 -5.416 -1.259
88 HA VAL 13 HA VAL 13 3.655 -3.089 -1.426
89 HB VAL 13 HB VAL 13 4.240 -3.936 -3.705
90 1HG1 VAL 13 1HG1 VAL 13 5.122 -6.030 -2.957
91 2HG1 VAL 13 2HG1 VAL 13 3.823 -6.235 -1.783
92 3HG1 VAL 13 3HG1 VAL 13 5.054 -4.997 -1.529
93 1HG2 VAL 13 1HG2 VAL 13 2.978 -6.172 -4.243
94 2HG2 VAL 13 2HG2 VAL 13 2.226 -4.637 -4.677
95 3HG2 VAL 13 3HG2 VAL 13 1.709 -5.492 -3.223
96 H TYR 14 H TYR 14 0.747 -3.863 -3.367
97 HA TYR 14 HA TYR 14 0.727 -1.469 -4.934
98 1HB TYR 14 2HB TYR 14 -1.460 -3.333 -3.959
99 2HB TYR 14 1HB TYR 14 -1.694 -2.111 -5.209
100 HD1 TYR 14 1HD TYR 14 -0.375 -2.230 -7.330
101 HD2 TYR 14 2HD TYR 14 -0.361 -5.389 -4.425
102 HE1 TYR 14 1HE TYR 14 0.538 -3.789 -9.033
103 HE2 TYR 14 2HE TYR 14 0.552 -6.953 -6.126
104 HH TYR 14 HH TYR 14 0.959 -7.236 -8.330
105 H LYS 15 H LYS 15 -1.359 -2.289 -2.150
106 HA LYS 15 HA LYS 15 -2.645 0.092 -1.727
107 1HB LYS 15 2HB LYS 15 -2.292 -2.253 -0.380
108 2HB LYS 15 1HB LYS 15 -1.476 -1.129 0.706
109 1HG LYS 15 2HG LYS 15 -3.518 -0.597 1.507
110 2HG LYS 15 1HG LYS 15 -3.811 0.212 -0.032
111 1HD LYS 15 2HD LYS 15 -4.423 -2.693 0.591
112 2HD LYS 15 1HD LYS 15 -5.607 -1.396 0.426
113 1HE LYS 15 2HE LYS 15 -5.137 -1.131 -1.910
114 2HE LYS 15 1HE LYS 15 -3.685 -2.144 -1.798
115 1HZ LYS 15 1HZ LYS 15 -5.560 -3.430 -2.624
116 2HZ LYS 15 2HZ LYS 15 -6.469 -3.032 -1.246
117 3HZ LYS 15 3HZ LYS 15 -5.079 -3.998 -1.100
118 H ILE 16 H ILE 16 0.735 -0.612 -0.884
119 HA ILE 16 HA ILE 16 1.185 1.853 0.570
120 HB ILE 16 HB ILE 16 3.116 0.001 -0.865
121 1HG1 ILE 16 2HG1 ILE 16 1.490 -1.088 0.770
122 2HG1 ILE 16 1HG1 ILE 16 3.199 -1.291 1.158
123 1HG2 ILE 16 1HG2 ILE 16 4.189 2.067 -0.185
124 2HG2 ILE 16 2HG2 ILE 16 4.669 0.802 0.948
125 3HG2 ILE 16 3HG2 ILE 16 3.441 1.980 1.410
126 1HD1 ILE 16 1HD1 ILE 16 2.939 -0.216 3.119
127 2HD1 ILE 16 2HD1 ILE 16 1.201 -0.196 2.821
128 3HD1 ILE 16 3HD1 ILE 16 2.199 1.166 2.313
129 H ASN 17 H ASN 17 2.428 0.819 -2.638
130 HA ASN 17 HA ASN 17 3.525 3.186 -3.555
131 1HB ASN 17 2HB ASN 17 2.591 0.732 -4.600
132 2HB ASN 17 1HB ASN 17 1.881 1.988 -5.613
133 1HD2 ASN 17 1HD2 ASN 17 4.409 0.018 -5.757
134 2HD2 ASN 17 2HD2 ASN 17 5.602 1.040 -6.399
135 H LYS 18 H LYS 18 0.122 2.490 -3.072
136 HA LYS 18 HA LYS 18 -1.013 4.562 -4.686
137 1HB LYS 18 2HB LYS 18 -1.775 2.605 -2.706
138 2HB LYS 18 1HB LYS 18 -2.594 4.132 -2.373
139 1HG LYS 18 2HG LYS 18 -3.951 3.880 -4.155
140 2HG LYS 18 1HG LYS 18 -2.586 3.543 -5.221
141 1HD LYS 18 2HD LYS 18 -2.620 1.214 -3.918
142 2HD LYS 18 1HD LYS 18 -4.317 1.643 -3.697
143 1HE LYS 18 2HE LYS 18 -3.343 2.091 -6.443
144 2HE LYS 18 1HE LYS 18 -3.331 0.390 -5.938
145 1HZ LYS 18 1HZ LYS 18 -5.592 2.279 -6.030
146 2HZ LYS 18 2HZ LYS 18 -5.616 0.987 -4.925
147 3HZ LYS 18 3HZ LYS 18 -5.512 0.680 -6.592
148 H ILE 19 H ILE 19 -1.133 4.649 -1.128
149 HA ILE 19 HA ILE 19 -1.500 7.360 -0.755
150 HB ILE 19 HB ILE 19 -1.266 5.290 0.842
151 1HG1 ILE 19 2HG1 ILE 19 -0.600 7.018 2.724
152 2HG1 ILE 19 1HG1 ILE 19 -0.708 8.183 1.402
153 1HG2 ILE 19 1HG2 ILE 19 0.864 5.346 2.129
154 2HG2 ILE 19 2HG2 ILE 19 1.509 6.509 0.969
155 3HG2 ILE 19 3HG2 ILE 19 1.111 4.872 0.447
156 1HD1 ILE 19 1HD1 ILE 19 -2.895 8.129 2.315
157 2HD1 ILE 19 2HD1 ILE 19 -2.870 6.374 2.477
158 3HD1 ILE 19 3HD1 ILE 19 -2.991 7.111 0.879
159 H VAL 20 H VAL 20 1.673 5.737 -1.125
160 HA VAL 20 HA VAL 20 3.321 8.029 -0.772
161 HB VAL 20 HB VAL 20 3.775 5.674 -2.627
162 1HG1 VAL 20 1HG1 VAL 20 6.085 6.047 -2.233
163 2HG1 VAL 20 2HG1 VAL 20 5.762 7.102 -0.858
164 3HG1 VAL 20 3HG1 VAL 20 5.416 7.658 -2.496
165 1HG2 VAL 20 1HG2 VAL 20 3.797 4.286 -0.850
166 2HG2 VAL 20 2HG2 VAL 20 3.079 5.589 0.095
167 3HG2 VAL 20 3HG2 VAL 20 4.830 5.385 0.060
168 H GLU 21 H GLU 21 2.034 6.610 -3.804
169 HA GLU 21 HA GLU 21 3.103 8.257 -5.740
170 1HB GLU 21 2HB GLU 21 1.173 6.402 -5.650
171 2HB GLU 21 1HB GLU 21 0.147 7.830 -5.777
172 1HG GLU 21 2HG GLU 21 0.841 8.308 -7.908
173 2HG GLU 21 1HG GLU 21 2.476 7.716 -7.619
174 H ARG 22 H ARG 22 0.261 9.071 -3.712
175 HA ARG 22 HA ARG 22 -0.517 11.521 -4.715
176 1HB ARG 22 2HB ARG 22 -0.100 10.559 -1.875
177 2HB ARG 22 1HB ARG 22 -0.920 12.075 -2.243
178 1HG ARG 22 2HG ARG 22 -2.098 10.201 -3.960
179 2HG ARG 22 1HG ARG 22 -1.932 9.356 -2.421
180 1HD ARG 22 2HD ARG 22 -3.196 11.027 -1.255
181 2HD ARG 22 1HD ARG 22 -3.112 12.143 -2.632
182 HE ARG 22 HE ARG 22 -4.378 10.250 -3.893
183 1HH1 ARG 22 1HH2 ARG 22 -4.310 9.610 -0.619
184 2HH1 ARG 22 2HH2 ARG 22 -6.028 9.526 -0.410
185 1HH2 ARG 22 1HH1 ARG 22 -6.737 10.696 -3.596
186 2HH2 ARG 22 2HH1 ARG 22 -7.402 10.141 -2.097
187 H ARG 23 H ARG 23 2.185 11.059 -2.397
188 HA ARG 23 HA ARG 23 3.053 13.690 -2.093
189 1HB ARG 23 2HB ARG 23 4.013 11.046 -1.698
190 2HB ARG 23 1HB ARG 23 5.302 11.934 -2.513
191 1HG ARG 23 2HG ARG 23 5.399 12.116 -0.012
192 2HG ARG 23 1HG ARG 23 5.245 13.675 -0.821
193 1HD ARG 23 2HD ARG 23 3.176 14.058 0.066
194 2HD ARG 23 1HD ARG 23 2.668 12.373 -0.164
195 HE ARG 23 HE ARG 23 3.289 12.042 2.085
196 1HH1 ARG 23 1HH2 ARG 23 4.645 14.964 0.998
197 2HH1 ARG 23 2HH2 ARG 23 5.872 15.028 2.218
198 1HH2 ARG 23 1HH1 ARG 23 5.136 11.893 3.502
199 2HH2 ARG 23 2HH1 ARG 23 6.151 13.290 3.635
200 H ARG 24 H ARG 24 4.340 11.438 -4.582
201 HA ARG 24 HA ARG 24 5.717 13.496 -6.050
202 1HB ARG 24 2HB ARG 24 5.674 10.769 -5.966
203 2HB ARG 24 1HB ARG 24 4.780 11.060 -7.458
204 1HG ARG 24 2HG ARG 24 6.888 11.131 -8.354
205 2HG ARG 24 1HG ARG 24 6.809 12.808 -7.811
206 1HD ARG 24 2HD ARG 24 8.514 12.451 -6.363
207 2HD ARG 24 1HD ARG 24 7.636 11.100 -5.620
208 HE ARG 24 HE ARG 24 8.980 9.656 -6.905
209 1HH1 ARG 24 1HH2 ARG 24 9.668 12.820 -7.832
210 2HH1 ARG 24 2HH2 ARG 24 10.280 12.409 -9.399
211 1HH2 ARG 24 1HH1 ARG 24 9.356 9.073 -9.177
212 2HH2 ARG 24 2HH1 ARG 24 10.104 10.286 -10.160
213 H ALA 25 H ALA 25 2.618 11.797 -6.685
214 HA ALA 25 HA ALA 25 1.810 12.978 -9.059
215 1HB ALA 25 1HB ALA 25 -0.516 12.826 -7.988
216 2HB ALA 25 2HB ALA 25 0.310 12.364 -6.500
217 3HB ALA 25 3HB ALA 25 0.449 11.350 -7.938
218 H GLU 26 H GLU 26 1.962 14.467 -5.860
219 HA GLU 26 HA GLU 26 0.643 16.920 -6.709
220 1HB GLU 26 2HB GLU 26 0.238 16.387 -4.482
221 2HB GLU 26 1HB GLU 26 1.842 15.695 -4.255
222 1HG GLU 26 2HG GLU 26 2.678 17.655 -3.526
223 2HG GLU 26 1HG GLU 26 1.971 18.527 -4.881
224 H GLY 27 H GLY 27 3.914 15.660 -6.373
225 1HA GLY 27 2HA GLY 27 5.621 16.783 -7.833
226 2HA GLY 27 1HA GLY 27 4.954 18.318 -7.276
227 H ALA 28 H ALA 28 5.819 15.361 -5.467
228 HA ALA 28 HA ALA 28 7.421 17.083 -3.624
229 1HB ALA 28 1HB ALA 28 6.777 14.219 -3.074
230 2HB ALA 28 2HB ALA 28 5.429 15.356 -3.111
231 3HB ALA 28 3HB ALA 28 6.757 15.601 -1.978
232 H LYS 29 H LYS 29 9.570 16.391 -3.033
233 HA LYS 29 HA LYS 29 10.766 14.171 -4.623
234 1HB LYS 29 2HB LYS 29 11.843 17.008 -4.513
235 2HB LYS 29 1HB LYS 29 12.507 15.669 -5.451
236 1HG LYS 29 2HG LYS 29 10.136 15.550 -6.523
237 2HG LYS 29 1HG LYS 29 9.941 17.184 -5.888
238 1HD LYS 29 2HD LYS 29 12.348 16.395 -7.534
239 2HD LYS 29 1HD LYS 29 10.862 16.979 -8.282
240 1HE LYS 29 2HE LYS 29 11.204 19.134 -7.575
241 2HE LYS 29 1HE LYS 29 11.893 18.617 -6.022
242 1HZ LYS 29 1HZ LYS 29 13.553 19.567 -7.596
243 2HZ LYS 29 2HZ LYS 29 13.255 18.257 -8.635
244 3HZ LYS 29 3HZ LYS 29 13.909 17.988 -7.089
245 H SER 30 H SER 30 10.438 13.641 -2.088
246 HA SER 30 HA SER 30 13.109 14.095 -0.839
247 1HB SER 30 2HB SER 30 11.547 14.350 1.322
248 2HB SER 30 1HB SER 30 11.953 15.735 0.314
249 HG SER 30 HG SER 30 9.661 15.412 0.784
250 H THR 31 H THR 31 13.723 12.371 0.572
251 HA THR 31 HA THR 31 12.636 9.777 -0.007
252 HB THR 31 HB THR 31 14.311 10.582 2.380
253 HG1 THR 31 1HG THR 31 15.703 11.300 1.009
254 1HG2 THR 31 1HG2 THR 31 13.435 8.117 1.368
255 2HG2 THR 31 2HG2 THR 31 14.697 8.375 2.571
256 3HG2 THR 31 3HG2 THR 31 15.120 8.249 0.865
257 H ASP 32 H ASP 32 11.472 12.229 2.024
258 HA ASP 32 HA ASP 32 10.553 10.947 4.346
259 1HB ASP 32 2HB ASP 32 10.012 13.307 2.765
260 2HB ASP 32 1HB ASP 32 8.501 12.657 3.405
261 H VAL 33 H VAL 33 9.242 10.822 1.056
262 HA VAL 33 HA VAL 33 7.245 8.791 1.999
263 HB VAL 33 HB VAL 33 6.308 10.949 1.215
264 1HG1 VAL 33 1HG1 VAL 33 7.201 12.022 -0.551
265 2HG1 VAL 33 2HG1 VAL 33 6.871 10.640 -1.596
266 3HG1 VAL 33 3HG1 VAL 33 8.385 10.724 -0.696
267 1HG2 VAL 33 1HG2 VAL 33 4.579 9.885 0.192
268 2HG2 VAL 33 2HG2 VAL 33 5.516 8.418 0.479
269 3HG2 VAL 33 3HG2 VAL 33 5.613 9.237 -1.081
270 H SER 34 H SER 34 7.093 6.880 0.759
271 HA SER 34 HA SER 34 8.152 6.413 -1.826
272 1HB SER 34 2HB SER 34 10.352 6.767 -1.279
273 2HB SER 34 1HB SER 34 10.071 6.478 0.437
274 HG SER 34 HG SER 34 11.027 4.809 -1.418
275 H PHE 35 H PHE 35 8.915 3.866 -1.875
276 HA PHE 35 HA PHE 35 6.608 2.363 -1.026
277 1HB PHE 35 2HB PHE 35 8.211 1.987 -2.990
278 2HB PHE 35 1HB PHE 35 9.332 1.299 -1.814
279 HD1 PHE 35 1HD PHE 35 9.203 -0.985 -1.345
280 HD2 PHE 35 2HD PHE 35 5.736 1.048 -2.858
281 HE1 PHE 35 1HE PHE 35 7.979 -3.140 -1.435
282 HE2 PHE 35 2HE PHE 35 4.512 -1.106 -2.949
283 HZ PHE 35 HZ PHE 35 5.633 -3.200 -2.236
284 H SER 36 H SER 36 10.033 1.882 -0.070
285 HA SER 36 HA SER 36 9.366 0.319 2.262
286 1HB SER 36 2HB SER 36 11.507 0.349 0.901
287 2HB SER 36 1HB SER 36 11.888 1.891 1.662
288 HG SER 36 HG SER 36 12.251 -0.570 2.606
289 H SER 37 H SER 37 9.349 3.710 1.665
290 HA SER 37 HA SER 37 9.931 4.564 4.401
291 1HB SER 37 2HB SER 37 10.424 6.092 2.657
292 2HB SER 37 1HB SER 37 8.876 5.815 1.863
293 HG SER 37 HG SER 37 8.731 7.742 2.955
294 H ILE 38 H ILE 38 6.951 4.904 2.431
295 HA ILE 38 HA ILE 38 5.217 5.421 4.633
296 HB ILE 38 HB ILE 38 5.034 4.626 1.761
297 1HG1 ILE 38 2HG1 ILE 38 3.903 6.705 1.555
298 2HG1 ILE 38 1HG1 ILE 38 3.491 6.743 3.269
299 1HG2 ILE 38 1HG2 ILE 38 2.604 4.612 3.577
300 2HG2 ILE 38 2HG2 ILE 38 3.350 3.166 2.898
301 3HG2 ILE 38 3HG2 ILE 38 2.615 4.362 1.831
302 1HD1 ILE 38 1HD1 ILE 38 5.630 7.387 3.910
303 2HD1 ILE 38 2HD1 ILE 38 5.491 8.204 2.351
304 3HD1 ILE 38 3HD1 ILE 38 6.382 6.686 2.476
305 H SER 39 H SER 39 6.072 2.362 2.994
306 HA SER 39 HA SER 39 4.258 0.613 4.253
307 1HB SER 39 2HB SER 39 6.955 0.491 3.021
308 2HB SER 39 1HB SER 39 6.529 -0.875 4.047
309 HG SER 39 HG SER 39 5.807 -1.266 1.959
310 H THR 40 H THR 40 7.414 1.798 5.425
311 HA THR 40 HA THR 40 7.763 0.287 7.742
312 HB THR 40 HB THR 40 8.197 3.233 7.175
313 HG1 THR 40 1HG THR 40 10.408 2.312 7.040
314 1HG2 THR 40 1HG2 THR 40 8.186 2.941 9.584
315 2HG2 THR 40 2HG2 THR 40 9.858 3.110 9.048
316 3HG2 THR 40 3HG2 THR 40 9.218 1.516 9.452
317 H MET 41 H MET 41 6.374 3.576 7.948
318 HA MET 41 HA MET 41 5.188 3.325 10.478
319 1HB MET 41 2HB MET 41 3.725 5.189 9.641
320 2HB MET 41 1HB MET 41 5.431 5.425 9.260
321 1HG MET 41 2HG MET 41 5.129 4.829 6.992
322 2HG MET 41 1HG MET 41 3.569 4.070 7.310
323 1HE MET 41 1HE MET 41 2.612 6.666 4.961
324 2HE MET 41 2HE MET 41 1.455 5.793 5.962
325 3HE MET 41 3HE MET 41 2.911 4.977 5.396
326 H LEU 42 H LEU 42 4.001 2.217 7.345
327 HA LEU 42 HA LEU 42 1.284 1.678 8.136
328 1HB LEU 42 2HB LEU 42 2.983 1.500 5.859
329 2HB LEU 42 1HB LEU 42 2.254 -0.091 6.086
330 HG LEU 42 HG LEU 42 0.406 2.192 6.431
331 1HD1 LEU 42 1HD1 LEU 42 0.668 3.164 4.415
332 2HD1 LEU 42 2HD1 LEU 42 0.634 1.597 3.606
333 3HD1 LEU 42 3HD1 LEU 42 2.157 2.237 4.223
334 1HD2 LEU 42 1HD2 LEU 42 0.310 -0.588 5.950
335 2HD2 LEU 42 2HD2 LEU 42 -0.305 0.173 4.481
336 3HD2 LEU 42 3HD2 LEU 42 -1.059 0.523 6.037
337 H LEU 43 H LEU 43 4.041 -0.580 7.656
338 HA LEU 43 HA LEU 43 2.749 -2.896 8.675
339 1HB LEU 43 2HB LEU 43 4.852 -2.837 7.374
340 2HB LEU 43 1HB LEU 43 5.672 -2.086 8.743
341 HG LEU 43 HG LEU 43 4.507 -4.265 9.932
342 1HD1 LEU 43 1HD1 LEU 43 3.742 -5.408 8.036
343 2HD1 LEU 43 2HD1 LEU 43 5.332 -6.129 8.282
344 3HD1 LEU 43 3HD1 LEU 43 5.107 -4.888 7.049
345 1HD2 LEU 43 1HD2 LEU 43 7.190 -4.581 8.620
346 2HD2 LEU 43 2HD2 LEU 43 6.702 -4.970 10.269
347 3HD2 LEU 43 3HD2 LEU 43 6.964 -3.290 9.801
348 H GLU 44 H GLU 44 4.830 -0.521 10.375
349 HA GLU 44 HA GLU 44 4.860 -1.753 12.923
350 1HB GLU 44 2HB GLU 44 5.022 1.056 11.856
351 2HB GLU 44 1HB GLU 44 5.006 0.793 13.601
352 1HG GLU 44 2HG GLU 44 7.235 0.455 13.423
353 2HG GLU 44 1HG GLU 44 6.823 -1.097 12.692
354 H LEU 45 H LEU 45 2.334 -0.088 11.225
355 HA LEU 45 HA LEU 45 0.644 0.078 13.671
356 1HB LEU 45 2HB LEU 45 0.253 2.067 12.645
357 2HB LEU 45 1HB LEU 45 1.021 1.522 11.159
358 HG LEU 45 HG LEU 45 -1.148 0.254 10.666
359 1HD1 LEU 45 1HD1 LEU 45 -1.801 0.748 13.221
360 2HD1 LEU 45 2HD1 LEU 45 -3.029 0.582 11.964
361 3HD1 LEU 45 3HD1 LEU 45 -2.513 2.186 12.490
362 1HD2 LEU 45 1HD2 LEU 45 -2.352 2.597 10.239
363 2HD2 LEU 45 2HD2 LEU 45 -0.921 2.123 9.321
364 3HD2 LEU 45 3HD2 LEU 45 -0.765 3.221 10.693
365 H GLY 46 H GLY 46 1.357 -2.175 11.343
366 1HA GLY 46 2HA GLY 46 0.215 -4.049 10.501
367 2HA GLY 46 1HA GLY 46 -0.815 -3.894 11.928
368 H LEU 47 H LEU 47 -0.329 -1.670 9.216
369 HA LEU 47 HA LEU 47 -2.073 -0.339 8.230
370 1HB LEU 47 2HB LEU 47 -3.105 -2.106 6.508
371 2HB LEU 47 1HB LEU 47 -1.453 -1.533 6.383
372 HG LEU 47 HG LEU 47 -1.664 -3.996 6.118
373 1HD1 LEU 47 1HD1 LEU 47 0.408 -4.193 6.942
374 2HD1 LEU 47 2HD1 LEU 47 -0.164 -4.008 8.600
375 3HD1 LEU 47 3HD1 LEU 47 0.207 -2.582 7.631
376 1HD2 LEU 47 1HD2 LEU 47 -2.949 -5.204 7.493
377 2HD2 LEU 47 2HD2 LEU 47 -3.336 -3.749 8.404
378 3HD2 LEU 47 3HD2 LEU 47 -1.952 -4.737 8.867
379 H ARG 48 H ARG 48 -3.165 -0.958 10.731
380 HA ARG 48 HA ARG 48 -5.735 -2.301 10.448
381 1HB ARG 48 2HB ARG 48 -4.093 -0.982 12.489
382 2HB ARG 48 1HB ARG 48 -5.818 -0.680 12.705
383 1HG ARG 48 2HG ARG 48 -5.593 -3.412 12.035
384 2HG ARG 48 1HG ARG 48 -4.328 -3.100 13.224
385 1HD ARG 48 2HD ARG 48 -6.136 -3.531 14.639
386 2HD ARG 48 1HD ARG 48 -6.306 -1.775 14.446
387 HE ARG 48 HE ARG 48 -7.637 -3.219 12.310
388 1HH1 ARG 48 1HH1 ARG 48 -8.644 -0.711 13.657
389 2HH1 ARG 48 2HH1 ARG 48 -10.026 -1.305 14.517
390 1HH2 ARG 48 1HH2 ARG 48 -9.088 -4.634 14.254
391 2HH2 ARG 48 2HH2 ARG 48 -10.278 -3.527 14.854
392 H VAL 49 H VAL 49 -5.543 0.940 11.804
393 HA VAL 49 HA VAL 49 -7.970 1.858 10.662
394 HB VAL 49 HB VAL 49 -6.611 2.772 12.609
395 1HG1 VAL 49 1HG1 VAL 49 -5.166 4.647 10.894
396 2HG1 VAL 49 2HG1 VAL 49 -4.634 2.982 10.662
397 3HG1 VAL 49 3HG1 VAL 49 -4.582 3.710 12.268
398 1HG2 VAL 49 1HG2 VAL 49 -6.977 5.270 11.438
399 2HG2 VAL 49 2HG2 VAL 49 -8.208 4.350 12.306
400 3HG2 VAL 49 3HG2 VAL 49 -8.092 4.231 10.549
401 H TYR 50 H TYR 50 -4.832 1.500 9.256
402 HA TYR 50 HA TYR 50 -5.055 3.519 7.189
403 1HB TYR 50 2HB TYR 50 -2.927 2.569 7.956
404 2HB TYR 50 1HB TYR 50 -3.440 0.959 7.446
405 HD1 TYR 50 1HD TYR 50 -2.293 4.271 6.320
406 HD2 TYR 50 2HD TYR 50 -3.578 0.366 5.076
407 HE1 TYR 50 1HE TYR 50 -1.435 4.716 4.036
408 HE2 TYR 50 2HE TYR 50 -2.721 0.811 2.792
409 HH TYR 50 HH TYR 50 -1.755 2.280 1.447
410 H GLU 51 H GLU 51 -5.436 -0.059 7.105
411 HA GLU 51 HA GLU 51 -6.457 -0.097 4.421
412 1HB GLU 51 2HB GLU 51 -5.417 -1.841 6.253
413 2HB GLU 51 1HB GLU 51 -7.124 -2.270 6.299
414 1HG GLU 51 2HG GLU 51 -6.269 -1.856 3.573
415 2HG GLU 51 1HG GLU 51 -5.230 -3.039 4.365
416 H ALA 52 H ALA 52 -7.840 0.983 7.287
417 HA ALA 52 HA ALA 52 -10.552 -0.031 6.938
418 1HB ALA 52 1HB ALA 52 -8.973 1.452 8.822
419 2HB ALA 52 2HB ALA 52 -10.546 0.695 9.075
420 3HB ALA 52 3HB ALA 52 -10.450 2.357 8.493
421 H GLN 53 H GLN 53 -8.960 3.129 6.357
422 HA GLN 53 HA GLN 53 -11.116 4.641 5.439
423 1HB GLN 53 2HB GLN 53 -9.442 5.957 4.347
424 2HB GLN 53 1HB GLN 53 -8.630 5.211 5.723
425 1HG GLN 53 2HG GLN 53 -7.762 3.431 4.255
426 2HG GLN 53 1HG GLN 53 -8.578 4.168 2.876
427 1HE2 GLN 53 1HE2 GLN 53 -7.765 6.281 2.120
428 2HE2 GLN 53 2HE2 GLN 53 -6.206 6.806 2.536
429 H MET 54 H MET 54 -9.353 2.091 3.721
430 HA MET 54 HA MET 54 -10.646 2.565 1.155
431 1HB MET 54 2HB MET 54 -8.800 0.612 2.441
432 2HB MET 54 1HB MET 54 -9.681 0.044 1.022
433 1HG MET 54 2HG MET 54 -8.167 2.662 1.057
434 2HG MET 54 1HG MET 54 -7.427 1.142 0.553
435 1HE MET 54 1HE MET 54 -6.924 0.915 -1.345
436 2HE MET 54 2HE MET 54 -7.147 2.374 -2.308
437 3HE MET 54 3HE MET 54 -7.898 0.865 -2.822
438 H GLU 55 H GLU 55 -11.512 0.904 4.075
439 HA GLU 55 HA GLU 55 -13.608 -0.692 2.677
440 1HB GLU 55 2HB GLU 55 -11.963 -1.644 4.376
441 2HB GLU 55 1HB GLU 55 -12.797 -0.681 5.598
442 1HG GLU 55 2HG GLU 55 -14.749 -1.932 5.451
443 2HG GLU 55 1HG GLU 55 -14.419 -2.445 3.796
444 H ARG 56 H ARG 56 -15.794 -0.710 3.820
445 HA ARG 56 HA ARG 56 -17.038 1.797 3.874
446 1HB ARG 56 2HB ARG 56 -17.568 -0.923 5.007
447 2HB ARG 56 1HB ARG 56 -18.625 0.398 5.507
448 1HG ARG 56 2HG ARG 56 -19.739 0.231 3.563
449 2HG ARG 56 1HG ARG 56 -18.256 0.625 2.693
450 1HD ARG 56 2HD ARG 56 -17.606 -1.743 2.662
451 2HD ARG 56 1HD ARG 56 -19.054 -2.166 3.598
452 HE ARG 56 HE ARG 56 -20.427 -1.452 1.693
453 1HH1 ARG 56 1HH1 ARG 56 -18.067 -3.307 0.731
454 2HH1 ARG 56 2HH1 ARG 56 -17.707 -2.541 -0.781
455 1HH2 ARG 56 1HH2 ARG 56 -19.520 0.326 -0.060
456 2HH2 ARG 56 2HH2 ARG 56 -18.529 -0.484 -1.228
Start of MODEL 13
1 1H ALA 2 1H ALA 2 -2.142 -26.806 3.870
2 2H ALA 2 2H ALA 2 -3.800 -26.753 4.241
3 3H ALA 2 3H ALA 2 -2.873 -25.330 4.272
4 HA ALA 2 HA ALA 2 -2.421 -25.859 1.789
5 1HB ALA 2 1HB ALA 2 -3.586 -27.624 0.970
6 2HB ALA 2 2HB ALA 2 -5.082 -27.069 1.724
7 3HB ALA 2 3HB ALA 2 -3.936 -28.042 2.647
8 H LYS 3 H LYS 3 -5.203 -25.219 3.898
9 HA LYS 3 HA LYS 3 -6.131 -23.076 2.040
10 1HB LYS 3 2HB LYS 3 -7.285 -24.831 4.148
11 2HB LYS 3 1HB LYS 3 -7.977 -23.212 4.021
12 1HG LYS 3 2HG LYS 3 -9.289 -24.377 2.490
13 2HG LYS 3 1HG LYS 3 -8.013 -23.757 1.440
14 1HD LYS 3 2HD LYS 3 -6.809 -25.873 1.580
15 2HD LYS 3 1HD LYS 3 -7.991 -26.499 2.732
16 1HE LYS 3 2HE LYS 3 -9.024 -25.481 0.112
17 2HE LYS 3 1HE LYS 3 -8.208 -27.058 0.132
18 1HZ LYS 3 1HZ LYS 3 -9.622 -27.441 2.235
19 2HZ LYS 3 2HZ LYS 3 -10.365 -27.607 0.717
20 3HZ LYS 3 3HZ LYS 3 -10.598 -26.193 1.629
21 H VAL 4 H VAL 4 -3.740 -22.445 3.335
22 HA VAL 4 HA VAL 4 -4.617 -20.546 5.488
23 HB VAL 4 HB VAL 4 -2.412 -20.902 6.454
24 1HG1 VAL 4 1HG1 VAL 4 -2.870 -22.974 7.310
25 2HG1 VAL 4 2HG1 VAL 4 -3.055 -23.705 5.715
26 3HG1 VAL 4 3HG1 VAL 4 -4.375 -22.767 6.413
27 1HG2 VAL 4 1HG2 VAL 4 -1.778 -21.654 3.765
28 2HG2 VAL 4 2HG2 VAL 4 -1.397 -23.015 4.818
29 3HG2 VAL 4 3HG2 VAL 4 -0.674 -21.437 5.123
30 H GLN 5 H GLN 5 -4.714 -19.870 2.687
31 HA GLN 5 HA GLN 5 -3.851 -18.297 1.131
32 1HB GLN 5 2HB GLN 5 -3.324 -17.103 3.869
33 2HB GLN 5 1HB GLN 5 -3.239 -16.179 2.368
34 1HG GLN 5 2HG GLN 5 -5.627 -17.076 1.920
35 2HG GLN 5 1HG GLN 5 -5.646 -17.476 3.638
36 1HE2 GLN 5 1HE2 GLN 5 -6.220 -14.956 1.408
37 2HE2 GLN 5 2HE2 GLN 5 -6.255 -13.667 2.512
38 H ALA 6 H ALA 6 -1.685 -16.615 1.158
39 HA ALA 6 HA ALA 6 0.652 -18.459 1.548
40 1HB ALA 6 1HB ALA 6 -0.382 -16.892 -0.723
41 2HB ALA 6 2HB ALA 6 0.661 -18.313 -0.724
42 3HB ALA 6 3HB ALA 6 1.352 -16.712 -0.456
43 H TYR 7 H TYR 7 0.847 -17.359 3.699
44 HA TYR 7 HA TYR 7 1.626 -15.623 5.127
45 1HB TYR 7 2HB TYR 7 3.457 -15.846 2.742
46 2HB TYR 7 1HB TYR 7 3.831 -14.725 4.051
47 HD1 TYR 7 1HD TYR 7 4.584 -17.872 2.907
48 HD2 TYR 7 2HD TYR 7 3.255 -15.927 6.498
49 HE1 TYR 7 1HE TYR 7 5.487 -19.746 4.256
50 HE2 TYR 7 2HE TYR 7 4.159 -17.802 7.847
51 HH TYR 7 HH TYR 7 6.042 -20.395 6.360
52 H VAL 8 H VAL 8 -0.462 -14.377 4.429
53 HA VAL 8 HA VAL 8 -1.479 -12.353 3.744
54 HB VAL 8 HB VAL 8 1.396 -11.576 4.321
55 1HG1 VAL 8 1HG1 VAL 8 -1.074 -9.860 3.932
56 2HG1 VAL 8 2HG1 VAL 8 0.408 -9.817 2.975
57 3HG1 VAL 8 3HG1 VAL 8 0.427 -9.277 4.655
58 1HG2 VAL 8 1HG2 VAL 8 0.513 -12.360 6.330
59 2HG2 VAL 8 2HG2 VAL 8 -1.129 -11.865 5.920
60 3HG2 VAL 8 3HG2 VAL 8 0.061 -10.658 6.408
61 H SER 9 H SER 9 -2.004 -12.616 1.550
62 HA SER 9 HA SER 9 -0.373 -12.906 -0.675
63 1HB SER 9 2HB SER 9 -2.570 -12.956 -1.294
64 2HB SER 9 1HB SER 9 -3.036 -11.805 -0.047
65 HG SER 9 HG SER 9 -2.830 -11.330 -2.582
66 H ASP 10 H ASP 10 0.713 -11.452 -2.092
67 HA ASP 10 HA ASP 10 1.907 -9.129 -0.874
68 1HB ASP 10 2HB ASP 10 2.968 -8.938 -3.106
69 2HB ASP 10 1HB ASP 10 3.011 -10.599 -2.515
70 H GLU 11 H GLU 11 -1.144 -9.533 -2.182
71 HA GLU 11 HA GLU 11 -1.720 -7.453 -3.904
72 1HB GLU 11 2HB GLU 11 -3.068 -8.906 -1.724
73 2HB GLU 11 1HB GLU 11 -3.789 -7.336 -2.085
74 1HG GLU 11 2HG GLU 11 -3.106 -8.773 -4.523
75 2HG GLU 11 1HG GLU 11 -4.200 -9.712 -3.506
76 H ILE 12 H ILE 12 -0.779 -7.177 -0.524
77 HA ILE 12 HA ILE 12 -1.591 -4.407 -0.188
78 HB ILE 12 HB ILE 12 0.230 -6.356 1.233
79 1HG1 ILE 12 2HG1 ILE 12 -2.326 -6.491 1.310
80 2HG1 ILE 12 1HG1 ILE 12 -1.513 -6.401 2.872
81 1HG2 ILE 12 1HG2 ILE 12 0.355 -4.626 3.058
82 2HG2 ILE 12 2HG2 ILE 12 -0.329 -3.458 1.927
83 3HG2 ILE 12 3HG2 ILE 12 1.243 -4.186 1.599
84 1HD1 ILE 12 1HD1 ILE 12 -2.086 -3.757 1.765
85 2HD1 ILE 12 2HD1 ILE 12 -2.463 -4.410 3.360
86 3HD1 ILE 12 3HD1 ILE 12 -3.547 -4.716 2.003
87 H VAL 13 H VAL 13 1.171 -6.000 -1.604
88 HA VAL 13 HA VAL 13 3.084 -3.857 -1.341
89 HB VAL 13 HB VAL 13 2.762 -6.115 -3.345
90 1HG1 VAL 13 1HG1 VAL 13 4.814 -3.998 -2.981
91 2HG1 VAL 13 2HG1 VAL 13 4.369 -4.897 -4.432
92 3HG1 VAL 13 3HG1 VAL 13 5.424 -5.635 -3.227
93 1HG2 VAL 13 1HG2 VAL 13 3.513 -6.012 -0.562
94 2HG2 VAL 13 2HG2 VAL 13 4.898 -6.528 -1.525
95 3HG2 VAL 13 3HG2 VAL 13 3.380 -7.421 -1.613
96 H TYR 14 H TYR 14 0.563 -4.600 -3.718
97 HA TYR 14 HA TYR 14 1.401 -2.648 -5.685
98 1HB TYR 14 2HB TYR 14 -0.193 -4.744 -5.766
99 2HB TYR 14 1HB TYR 14 -1.431 -3.580 -5.290
100 HD1 TYR 14 1HD TYR 14 -1.473 -1.335 -6.670
101 HD2 TYR 14 2HD TYR 14 0.325 -4.991 -8.034
102 HE1 TYR 14 1HE TYR 14 -1.622 -0.534 -9.012
103 HE2 TYR 14 2HE TYR 14 0.174 -4.190 -10.376
104 HH TYR 14 HH TYR 14 -0.212 -1.122 -11.247
105 H LYS 15 H LYS 15 -0.758 -2.567 -2.876
106 HA LYS 15 HA LYS 15 -1.880 0.049 -3.456
107 1HB LYS 15 2HB LYS 15 -1.652 -1.596 -0.915
108 2HB LYS 15 1HB LYS 15 -2.705 -0.196 -1.119
109 1HG LYS 15 2HG LYS 15 -3.334 -1.743 -3.319
110 2HG LYS 15 1HG LYS 15 -3.063 -2.952 -2.065
111 1HD LYS 15 2HD LYS 15 -4.822 -2.205 -0.765
112 2HD LYS 15 1HD LYS 15 -4.692 -0.548 -1.357
113 1HE LYS 15 2HE LYS 15 -6.252 -0.944 -2.951
114 2HE LYS 15 1HE LYS 15 -5.361 -2.365 -3.530
115 1HZ LYS 15 1HZ LYS 15 -7.099 -2.283 -1.120
116 2HZ LYS 15 2HZ LYS 15 -6.237 -3.637 -1.676
117 3HZ LYS 15 3HZ LYS 15 -7.512 -2.999 -2.601
118 H ILE 16 H ILE 16 0.615 -1.092 -1.141
119 HA ILE 16 HA ILE 16 1.345 1.233 0.149
120 HB ILE 16 HB ILE 16 3.085 -0.906 -1.115
121 1HG1 ILE 16 2HG1 ILE 16 1.282 -1.529 0.589
122 2HG1 ILE 16 1HG1 ILE 16 2.928 -2.008 1.005
123 1HG2 ILE 16 1HG2 ILE 16 4.587 0.861 -0.625
124 2HG2 ILE 16 2HG2 ILE 16 4.666 -0.183 0.794
125 3HG2 ILE 16 3HG2 ILE 16 3.717 1.304 0.844
126 1HD1 ILE 16 1HD1 ILE 16 3.140 -0.351 2.637
127 2HD1 ILE 16 2HD1 ILE 16 1.442 -0.795 2.802
128 3HD1 ILE 16 3HD1 ILE 16 1.889 0.661 1.914
129 H ASN 17 H ASN 17 2.348 0.292 -3.149
130 HA ASN 17 HA ASN 17 4.060 2.489 -3.703
131 1HB ASN 17 2HB ASN 17 2.241 0.755 -5.395
132 2HB ASN 17 1HB ASN 17 3.382 1.904 -6.096
133 1HD2 ASN 17 1HD2 ASN 17 5.740 1.579 -5.448
134 2HD2 ASN 17 2HD2 ASN 17 6.274 0.000 -5.128
135 H LYS 18 H LYS 18 0.536 2.221 -3.774
136 HA LYS 18 HA LYS 18 -0.035 4.600 -5.259
137 1HB LYS 18 2HB LYS 18 -1.550 3.171 -3.048
138 2HB LYS 18 1HB LYS 18 -2.257 4.338 -4.165
139 1HG LYS 18 2HG LYS 18 -1.569 2.876 -6.069
140 2HG LYS 18 1HG LYS 18 -0.991 1.684 -4.906
141 1HD LYS 18 2HD LYS 18 -3.205 1.001 -5.513
142 2HD LYS 18 1HD LYS 18 -3.333 1.709 -3.902
143 1HE LYS 18 2HE LYS 18 -4.847 3.191 -4.700
144 2HE LYS 18 1HE LYS 18 -3.622 3.824 -5.817
145 1HZ LYS 18 1HZ LYS 18 -4.143 1.609 -7.072
146 2HZ LYS 18 2HZ LYS 18 -5.132 2.973 -7.295
147 3HZ LYS 18 3HZ LYS 18 -5.627 1.722 -6.257
148 H ILE 19 H ILE 19 0.256 4.061 -1.725
149 HA ILE 19 HA ILE 19 -0.371 6.612 -0.766
150 HB ILE 19 HB ILE 19 1.910 4.807 0.105
151 1HG1 ILE 19 2HG1 ILE 19 -0.035 3.427 -0.004
152 2HG1 ILE 19 1HG1 ILE 19 0.082 3.926 1.684
153 1HG2 ILE 19 1HG2 ILE 19 0.268 6.920 1.523
154 2HG2 ILE 19 2HG2 ILE 19 2.013 6.912 1.264
155 3HG2 ILE 19 3HG2 ILE 19 1.280 5.752 2.372
156 1HD1 ILE 19 1HD1 ILE 19 -2.234 4.144 0.795
157 2HD1 ILE 19 2HD1 ILE 19 -1.643 5.292 -0.405
158 3HD1 ILE 19 3HD1 ILE 19 -1.568 5.694 1.309
159 H VAL 20 H VAL 20 2.945 5.509 -1.611
160 HA VAL 20 HA VAL 20 4.363 7.881 -1.369
161 HB VAL 20 HB VAL 20 4.431 5.505 -3.191
162 1HG1 VAL 20 1HG1 VAL 20 6.694 6.545 -4.030
163 2HG1 VAL 20 2HG1 VAL 20 5.914 8.080 -3.652
164 3HG1 VAL 20 3HG1 VAL 20 5.189 6.991 -4.833
165 1HG2 VAL 20 1HG2 VAL 20 5.883 6.619 -0.885
166 2HG2 VAL 20 2HG2 VAL 20 6.911 5.865 -2.105
167 3HG2 VAL 20 3HG2 VAL 20 5.617 4.938 -1.344
168 H GLU 21 H GLU 21 3.229 6.842 -4.577
169 HA GLU 21 HA GLU 21 3.415 9.143 -6.044
170 1HB GLU 21 2HB GLU 21 1.684 6.787 -5.968
171 2HB GLU 21 1HB GLU 21 0.897 8.171 -6.729
172 1HG GLU 21 2HG GLU 21 3.636 7.999 -7.617
173 2HG GLU 21 1HG GLU 21 2.823 6.457 -7.883
174 H ARG 22 H ARG 22 0.809 8.454 -3.705
175 HA ARG 22 HA ARG 22 -0.692 10.867 -4.221
176 1HB ARG 22 2HB ARG 22 -1.015 8.520 -2.829
177 2HB ARG 22 1HB ARG 22 -0.766 9.674 -1.518
178 1HG ARG 22 2HG ARG 22 -2.739 10.749 -1.914
179 2HG ARG 22 1HG ARG 22 -2.591 10.583 -3.664
180 1HD ARG 22 2HD ARG 22 -4.055 8.858 -3.597
181 2HD ARG 22 1HD ARG 22 -2.922 7.958 -2.568
182 HE ARG 22 HE ARG 22 -4.241 8.566 -0.709
183 1HH1 ARG 22 1HH2 ARG 22 -6.436 9.127 -2.806
184 2HH1 ARG 22 2HH2 ARG 22 -6.973 10.690 -2.289
185 1HH2 ARG 22 1HH1 ARG 22 -4.207 11.264 -0.276
186 2HH2 ARG 22 2HH1 ARG 22 -5.710 11.901 -0.857
187 H ARG 23 H ARG 23 1.917 10.031 -1.950
188 HA ARG 23 HA ARG 23 1.930 12.204 -0.215
189 1HB ARG 23 2HB ARG 23 3.671 10.166 -1.080
190 2HB ARG 23 1HB ARG 23 4.587 11.664 -1.254
191 1HG ARG 23 2HG ARG 23 3.601 12.183 1.141
192 2HG ARG 23 1HG ARG 23 3.427 10.430 1.221
193 1HD ARG 23 2HD ARG 23 5.974 10.651 0.232
194 2HD ARG 23 1HD ARG 23 5.884 12.068 1.297
195 HE ARG 23 HE ARG 23 5.792 9.283 2.165
196 1HH1 ARG 23 1HH2 ARG 23 4.545 12.445 2.741
197 2HH1 ARG 23 2HH2 ARG 23 4.458 12.240 4.459
198 1HH2 ARG 23 1HH1 ARG 23 5.794 9.041 4.416
199 2HH2 ARG 23 2HH1 ARG 23 5.166 10.314 5.406
200 H ARG 24 H ARG 24 3.629 12.117 -3.381
201 HA ARG 24 HA ARG 24 4.168 14.971 -3.347
202 1HB ARG 24 2HB ARG 24 5.076 14.521 -5.553
203 2HB ARG 24 1HB ARG 24 5.480 13.149 -4.522
204 1HG ARG 24 2HG ARG 24 4.499 11.829 -6.064
205 2HG ARG 24 1HG ARG 24 2.958 12.526 -5.565
206 1HD ARG 24 2HD ARG 24 3.336 14.391 -7.219
207 2HD ARG 24 1HD ARG 24 4.756 13.502 -7.807
208 HE ARG 24 HE ARG 24 2.290 11.911 -7.642
209 1HH1 ARG 24 1HH2 ARG 24 3.000 14.499 -9.568
210 2HH1 ARG 24 2HH2 ARG 24 3.054 13.629 -11.065
211 1HH2 ARG 24 1HH1 ARG 24 2.948 10.507 -9.557
212 2HH2 ARG 24 2HH1 ARG 24 3.025 11.367 -11.059
213 H ALA 25 H ALA 25 1.533 12.957 -4.461
214 HA ALA 25 HA ALA 25 0.337 14.867 -6.275
215 1HB ALA 25 1HB ALA 25 -0.035 12.233 -5.509
216 2HB ALA 25 2HB ALA 25 -1.145 13.147 -6.531
217 3HB ALA 25 3HB ALA 25 -1.433 13.033 -4.794
218 H GLU 26 H GLU 26 0.459 14.484 -2.826
219 HA GLU 26 HA GLU 26 -1.775 16.314 -2.333
220 1HB GLU 26 2HB GLU 26 -1.758 14.524 -0.839
221 2HB GLU 26 1HB GLU 26 0.002 14.440 -0.814
222 1HG GLU 26 2HG GLU 26 0.127 15.823 0.957
223 2HG GLU 26 1HG GLU 26 -0.965 16.980 0.205
224 H GLY 27 H GLY 27 1.771 16.259 -2.316
225 1HA GLY 27 2HA GLY 27 2.577 18.710 -2.744
226 2HA GLY 27 1HA GLY 27 1.773 19.034 -1.209
227 H ALA 28 H ALA 28 3.651 16.150 -2.060
228 HA ALA 28 HA ALA 28 5.088 16.007 0.376
229 1HB ALA 28 1HB ALA 28 6.250 15.111 -2.246
230 2HB ALA 28 2HB ALA 28 4.750 14.384 -1.671
231 3HB ALA 28 3HB ALA 28 6.215 14.263 -0.700
232 H LYS 29 H LYS 29 7.794 15.806 -0.515
233 HA LYS 29 HA LYS 29 8.465 18.673 -1.097
234 1HB LYS 29 2HB LYS 29 8.836 17.130 1.255
235 2HB LYS 29 1HB LYS 29 10.432 17.326 0.529
236 1HG LYS 29 2HG LYS 29 8.654 19.723 0.652
237 2HG LYS 29 1HG LYS 29 9.419 19.184 2.148
238 1HD LYS 29 2HD LYS 29 11.462 19.890 1.482
239 2HD LYS 29 1HD LYS 29 11.262 19.198 -0.129
240 1HE LYS 29 2HE LYS 29 11.443 21.637 -0.320
241 2HE LYS 29 1HE LYS 29 9.779 21.155 -0.711
242 1HZ LYS 29 1HZ LYS 29 9.534 21.363 1.886
243 2HZ LYS 29 2HZ LYS 29 9.351 22.716 0.874
244 3HZ LYS 29 3HZ LYS 29 10.814 22.461 1.698
245 H SER 30 H SER 30 9.538 15.275 -1.238
246 HA SER 30 HA SER 30 10.841 15.727 -3.815
247 1HB SER 30 2HB SER 30 12.476 16.706 -2.282
248 2HB SER 30 1HB SER 30 12.452 15.252 -1.288
249 HG SER 30 HG SER 30 14.008 14.641 -2.566
250 H THR 31 H THR 31 12.519 13.548 -3.902
251 HA THR 31 HA THR 31 10.613 11.311 -3.836
252 HB THR 31 HB THR 31 13.037 10.316 -4.643
253 HG1 THR 31 1HG THR 31 13.032 12.932 -5.643
254 1HG2 THR 31 1HG2 THR 31 10.612 10.877 -5.780
255 2HG2 THR 31 2HG2 THR 31 11.987 10.205 -6.654
256 3HG2 THR 31 3HG2 THR 31 11.680 11.942 -6.694
257 H ASP 32 H ASP 32 12.119 12.622 -1.353
258 HA ASP 32 HA ASP 32 13.840 10.697 -0.188
259 1HB ASP 32 2HB ASP 32 13.146 11.809 1.928
260 2HB ASP 32 1HB ASP 32 13.457 12.982 0.648
261 H VAL 33 H VAL 33 10.427 10.563 -0.765
262 HA VAL 33 HA VAL 33 9.956 8.461 1.266
263 HB VAL 33 HB VAL 33 8.224 9.779 -0.852
264 1HG1 VAL 33 1HG1 VAL 33 7.500 7.950 1.458
265 2HG1 VAL 33 2HG1 VAL 33 7.367 7.561 -0.257
266 3HG1 VAL 33 3HG1 VAL 33 6.339 8.809 0.446
267 1HG2 VAL 33 1HG2 VAL 33 7.758 11.395 0.681
268 2HG2 VAL 33 2HG2 VAL 33 9.254 10.873 1.455
269 3HG2 VAL 33 3HG2 VAL 33 7.707 10.240 2.014
270 H SER 34 H SER 34 8.749 6.453 0.412
271 HA SER 34 HA SER 34 8.912 5.550 -2.275
272 1HB SER 34 2HB SER 34 10.998 4.057 -1.871
273 2HB SER 34 1HB SER 34 11.268 5.769 -2.184
274 HG SER 34 HG SER 34 12.039 4.387 -0.099
275 H PHE 35 H PHE 35 8.935 2.999 -2.289
276 HA PHE 35 HA PHE 35 6.830 1.970 -0.783
277 1HB PHE 35 2HB PHE 35 7.939 0.930 -2.751
278 2HB PHE 35 1HB PHE 35 9.325 0.528 -1.737
279 HD1 PHE 35 1HD PHE 35 9.053 -1.055 0.185
280 HD2 PHE 35 2HD PHE 35 5.922 -0.360 -2.672
281 HE1 PHE 35 1HE PHE 35 7.909 -3.125 0.934
282 HE2 PHE 35 2HE PHE 35 4.778 -2.429 -1.923
283 HZ PHE 35 HZ PHE 35 5.771 -3.812 -0.119
284 H SER 36 H SER 36 10.239 1.108 -0.080
285 HA SER 36 HA SER 36 9.988 -0.080 2.393
286 1HB SER 36 2HB SER 36 12.242 1.236 2.817
287 2HB SER 36 1HB SER 36 12.146 0.055 1.513
288 HG SER 36 HG SER 36 12.593 2.699 1.386
289 H SER 37 H SER 37 10.049 3.441 1.788
290 HA SER 37 HA SER 37 9.831 4.190 4.574
291 1HB SER 37 2HB SER 37 9.481 5.497 1.886
292 2HB SER 37 1HB SER 37 9.043 6.375 3.348
293 HG SER 37 HG SER 37 11.555 5.218 2.699
294 H ILE 38 H ILE 38 7.427 4.170 1.901
295 HA ILE 38 HA ILE 38 5.185 4.822 3.585
296 HB ILE 38 HB ILE 38 5.572 3.586 0.850
297 1HG1 ILE 38 2HG1 ILE 38 6.159 5.918 0.949
298 2HG1 ILE 38 1HG1 ILE 38 4.568 5.826 0.191
299 1HG2 ILE 38 1HG2 ILE 38 3.386 2.888 2.074
300 2HG2 ILE 38 2HG2 ILE 38 3.253 3.567 0.455
301 3HG2 ILE 38 3HG2 ILE 38 2.911 4.573 1.862
302 1HD1 ILE 38 1HD1 ILE 38 3.733 6.058 2.698
303 2HD1 ILE 38 2HD1 ILE 38 4.169 7.482 1.754
304 3HD1 ILE 38 3HD1 ILE 38 5.314 6.809 2.915
305 H SER 39 H SER 39 6.888 1.847 3.002
306 HA SER 39 HA SER 39 4.690 0.055 3.664
307 1HB SER 39 2HB SER 39 7.373 -0.054 2.729
308 2HB SER 39 1HB SER 39 7.307 -1.026 4.195
309 HG SER 39 HG SER 39 5.970 -2.386 3.245
310 H THR 40 H THR 40 7.685 0.868 5.451
311 HA THR 40 HA THR 40 7.089 -0.304 7.915
312 HB THR 40 HB THR 40 8.455 2.360 7.434
313 HG1 THR 40 1HG THR 40 9.321 -0.315 7.113
314 1HG2 THR 40 1HG2 THR 40 8.603 0.256 9.593
315 2HG2 THR 40 2HG2 THR 40 8.298 1.984 9.769
316 3HG2 THR 40 3HG2 THR 40 9.908 1.413 9.332
317 H MET 41 H MET 41 6.408 3.128 7.047
318 HA MET 41 HA MET 41 5.182 3.992 9.377
319 1HB MET 41 2HB MET 41 4.218 5.670 8.016
320 2HB MET 41 1HB MET 41 5.626 5.140 7.097
321 1HG MET 41 2HG MET 41 4.192 3.643 5.764
322 2HG MET 41 1HG MET 41 2.782 4.170 6.681
323 1HE MET 41 1HE MET 41 1.666 4.706 4.327
324 2HE MET 41 2HE MET 41 1.462 6.450 4.191
325 3HE MET 41 3HE MET 41 1.240 5.664 5.751
326 H LEU 42 H LEU 42 3.578 2.150 6.753
327 HA LEU 42 HA LEU 42 0.984 2.100 8.009
328 1HB LEU 42 2HB LEU 42 2.412 0.910 5.729
329 2HB LEU 42 1HB LEU 42 1.154 -0.133 6.392
330 HG LEU 42 HG LEU 42 0.362 2.694 6.120
331 1HD1 LEU 42 1HD1 LEU 42 -0.021 2.392 3.632
332 2HD1 LEU 42 2HD1 LEU 42 1.051 0.993 3.709
333 3HD1 LEU 42 3HD1 LEU 42 1.669 2.599 4.097
334 1HD2 LEU 42 1HD2 LEU 42 -1.267 0.798 4.708
335 2HD2 LEU 42 2HD2 LEU 42 -1.632 1.648 6.209
336 3HD2 LEU 42 3HD2 LEU 42 -0.799 0.095 6.255
337 H LEU 43 H LEU 43 3.496 -0.450 7.743
338 HA LEU 43 HA LEU 43 2.254 -2.381 9.387
339 1HB LEU 43 2HB LEU 43 4.309 -2.563 7.908
340 2HB LEU 43 1HB LEU 43 5.220 -1.792 9.209
341 HG LEU 43 HG LEU 43 3.894 -3.733 10.593
342 1HD1 LEU 43 1HD1 LEU 43 4.601 -5.741 8.894
343 2HD1 LEU 43 2HD1 LEU 43 4.033 -4.532 7.743
344 3HD1 LEU 43 3HD1 LEU 43 2.962 -5.103 9.022
345 1HD2 LEU 43 1HD2 LEU 43 6.153 -3.651 11.041
346 2HD2 LEU 43 2HD2 LEU 43 6.590 -3.479 9.341
347 3HD2 LEU 43 3HD2 LEU 43 6.161 -5.063 9.986
348 H GLU 44 H GLU 44 4.010 0.541 10.287
349 HA GLU 44 HA GLU 44 4.545 -0.133 13.029
350 1HB GLU 44 2HB GLU 44 4.683 2.121 11.221
351 2HB GLU 44 1HB GLU 44 4.022 2.643 12.770
352 1HG GLU 44 2HG GLU 44 6.065 1.001 13.575
353 2HG GLU 44 1HG GLU 44 6.740 1.712 12.109
354 H LEU 45 H LEU 45 1.706 0.834 11.291
355 HA LEU 45 HA LEU 45 0.170 1.326 13.795
356 1HB LEU 45 2HB LEU 45 0.013 2.006 10.900
357 2HB LEU 45 1HB LEU 45 -1.525 1.799 11.739
358 HG LEU 45 HG LEU 45 -0.010 3.307 13.519
359 1HD1 LEU 45 1HD1 LEU 45 0.502 4.163 10.658
360 2HD1 LEU 45 2HD1 LEU 45 1.703 3.779 11.890
361 3HD1 LEU 45 3HD1 LEU 45 0.718 5.233 12.043
362 1HD2 LEU 45 1HD2 LEU 45 -2.292 3.815 13.248
363 2HD2 LEU 45 2HD2 LEU 45 -2.153 3.932 11.494
364 3HD2 LEU 45 3HD2 LEU 45 -1.496 5.209 12.518
365 H GLY 46 H GLY 46 0.947 -1.210 11.709
366 1HA GLY 46 2HA GLY 46 0.117 -3.451 11.971
367 2HA GLY 46 1HA GLY 46 -1.343 -2.796 12.717
368 H LEU 47 H LEU 47 -0.893 -0.839 10.156
369 HA LEU 47 HA LEU 47 -1.655 -0.794 7.911
370 1HB LEU 47 2HB LEU 47 -0.832 -3.389 8.324
371 2HB LEU 47 1HB LEU 47 -2.521 -3.609 7.864
372 HG LEU 47 HG LEU 47 -0.741 -1.766 6.282
373 1HD1 LEU 47 1HD1 LEU 47 0.305 -3.462 5.182
374 2HD1 LEU 47 2HD1 LEU 47 -1.112 -4.509 5.247
375 3HD1 LEU 47 3HD1 LEU 47 -0.041 -4.385 6.643
376 1HD2 LEU 47 1HD2 LEU 47 -2.411 -1.914 4.676
377 2HD2 LEU 47 2HD2 LEU 47 -3.374 -2.116 6.141
378 3HD2 LEU 47 3HD2 LEU 47 -2.907 -3.526 5.191
379 H ARG 48 H ARG 48 -3.545 -2.191 10.515
380 HA ARG 48 HA ARG 48 -6.094 -2.145 9.125
381 1HB ARG 48 2HB ARG 48 -6.956 -2.578 11.390
382 2HB ARG 48 1HB ARG 48 -5.535 -3.575 11.078
383 1HG ARG 48 2HG ARG 48 -4.850 -2.745 13.094
384 2HG ARG 48 1HG ARG 48 -4.344 -1.369 12.116
385 1HD ARG 48 2HD ARG 48 -5.659 -0.520 13.982
386 2HD ARG 48 1HD ARG 48 -6.648 -0.364 12.516
387 HE ARG 48 HE ARG 48 -7.575 -2.689 13.207
388 1HH1 ARG 48 1HH2 ARG 48 -5.803 -2.518 15.749
389 2HH1 ARG 48 2HH2 ARG 48 -7.001 -2.095 16.926
390 1HH2 ARG 48 1HH1 ARG 48 -9.381 -1.193 14.572
391 2HH2 ARG 48 2HH1 ARG 48 -9.024 -1.345 16.261
392 H VAL 49 H VAL 49 -4.251 0.163 11.065
393 HA VAL 49 HA VAL 49 -6.300 2.033 11.678
394 HB VAL 49 HB VAL 49 -3.368 2.437 11.001
395 1HG1 VAL 49 1HG1 VAL 49 -4.099 4.245 12.966
396 2HG1 VAL 49 2HG1 VAL 49 -5.500 4.239 11.897
397 3HG1 VAL 49 3HG1 VAL 49 -3.902 4.622 11.254
398 1HG2 VAL 49 1HG2 VAL 49 -4.384 2.321 13.797
399 2HG2 VAL 49 2HG2 VAL 49 -2.855 1.743 13.131
400 3HG2 VAL 49 3HG2 VAL 49 -4.328 0.795 12.914
401 H TYR 50 H TYR 50 -3.868 2.425 9.079
402 HA TYR 50 HA TYR 50 -4.927 4.519 7.646
403 1HB TYR 50 2HB TYR 50 -2.871 3.364 7.058
404 2HB TYR 50 1HB TYR 50 -3.765 1.898 6.653
405 HD1 TYR 50 1HD TYR 50 -4.476 1.541 4.451
406 HD2 TYR 50 2HD TYR 50 -3.546 5.527 5.751
407 HE1 TYR 50 1HE TYR 50 -4.794 2.373 2.135
408 HE2 TYR 50 2HE TYR 50 -3.862 6.357 3.437
409 HH TYR 50 HH TYR 50 -4.287 4.173 0.744
410 H GLU 51 H GLU 51 -5.749 1.111 6.845
411 HA GLU 51 HA GLU 51 -7.869 1.688 5.070
412 1HB GLU 51 2HB GLU 51 -6.484 -0.469 5.956
413 2HB GLU 51 1HB GLU 51 -8.009 -0.715 6.801
414 1HG GLU 51 2HG GLU 51 -8.519 0.090 4.082
415 2HG GLU 51 1HG GLU 51 -7.436 -1.301 4.099
416 H ALA 52 H ALA 52 -7.852 1.276 8.604
417 HA ALA 52 HA ALA 52 -10.720 1.287 8.936
418 1HB ALA 52 1HB ALA 52 -8.452 2.037 10.810
419 2HB ALA 52 2HB ALA 52 -9.079 0.406 10.565
420 3HB ALA 52 3HB ALA 52 -10.098 1.641 11.305
421 H GLN 53 H GLN 53 -8.228 3.839 9.172
422 HA GLN 53 HA GLN 53 -9.852 5.983 10.027
423 1HB GLN 53 2HB GLN 53 -7.321 5.574 8.524
424 2HB GLN 53 1HB GLN 53 -8.049 7.175 8.389
425 1HG GLN 53 2HG GLN 53 -8.119 6.216 11.133
426 2HG GLN 53 1HG GLN 53 -6.471 6.241 10.506
427 1HE2 GLN 53 1HE2 GLN 53 -8.457 8.158 12.234
428 2HE2 GLN 53 2HE2 GLN 53 -7.985 9.689 11.674
429 H MET 54 H MET 54 -9.890 4.289 7.014
430 HA MET 54 HA MET 54 -11.051 6.489 5.451
431 1HB MET 54 2HB MET 54 -10.672 3.514 4.989
432 2HB MET 54 1HB MET 54 -11.250 4.639 3.760
433 1HG MET 54 2HG MET 54 -8.843 5.640 5.042
434 2HG MET 54 1HG MET 54 -8.574 4.042 4.345
435 1HE MET 54 1HE MET 54 -8.855 3.341 2.106
436 2HE MET 54 2HE MET 54 -9.255 4.304 0.687
437 3HE MET 54 3HE MET 54 -10.518 3.883 1.841
438 H GLU 55 H GLU 55 -12.206 3.919 7.505
439 HA GLU 55 HA GLU 55 -15.011 4.742 6.890
440 1HB GLU 55 2HB GLU 55 -15.596 2.302 6.874
441 2HB GLU 55 1HB GLU 55 -14.516 2.759 5.556
442 1HG GLU 55 2HG GLU 55 -12.676 1.707 6.514
443 2HG GLU 55 1HG GLU 55 -13.329 1.830 8.149
444 H ARG 56 H ARG 56 -16.522 3.815 8.631
445 HA ARG 56 HA ARG 56 -17.071 3.849 10.939
446 1HB ARG 56 2HB ARG 56 -14.586 2.103 10.863
447 2HB ARG 56 1HB ARG 56 -15.809 2.085 12.135
448 1HG ARG 56 2HG ARG 56 -17.488 1.270 10.641
449 2HG ARG 56 1HG ARG 56 -16.480 1.583 9.228
450 1HD ARG 56 2HD ARG 56 -14.842 -0.120 10.070
451 2HD ARG 56 1HD ARG 56 -15.980 -0.501 11.381
452 HE ARG 56 HE ARG 56 -17.527 -0.609 9.071
453 1HH1 ARG 56 1HH2 ARG 56 -15.017 -2.313 10.656
454 2HH1 ARG 56 2HH2 ARG 56 -15.084 -3.683 9.599
455 1HH2 ARG 56 1HH1 ARG 56 -17.465 -2.284 7.501
456 2HH2 ARG 56 2HH1 ARG 56 -16.471 -3.668 7.813
Start of MODEL 14
1 1H ALA 2 1H ALA 2 -0.520 -21.055 -21.221
2 2H ALA 2 2H ALA 2 -0.453 -21.195 -19.530
3 3H ALA 2 3H ALA 2 0.978 -21.000 -20.426
4 HA ALA 2 HA ALA 2 0.275 -18.768 -21.095
5 1HB ALA 2 1HB ALA 2 -1.889 -18.474 -19.252
6 2HB ALA 2 2HB ALA 2 -2.188 -19.928 -20.204
7 3HB ALA 2 3HB ALA 2 -1.946 -18.379 -21.011
8 H LYS 3 H LYS 3 -0.906 -19.532 -17.812
9 HA LYS 3 HA LYS 3 0.398 -17.548 -16.382
10 1HB LYS 3 2HB LYS 3 -0.396 -20.391 -15.829
11 2HB LYS 3 1HB LYS 3 0.466 -19.488 -14.581
12 1HG LYS 3 2HG LYS 3 -1.708 -17.957 -15.829
13 2HG LYS 3 1HG LYS 3 -2.262 -19.407 -14.990
14 1HD LYS 3 2HD LYS 3 -1.927 -18.438 -12.988
15 2HD LYS 3 1HD LYS 3 -0.252 -18.077 -13.406
16 1HE LYS 3 2HE LYS 3 -1.741 -16.244 -14.914
17 2HE LYS 3 1HE LYS 3 -2.535 -16.274 -13.328
18 1HZ LYS 3 1HZ LYS 3 -0.700 -14.757 -13.221
19 2HZ LYS 3 2HZ LYS 3 0.365 -15.914 -13.862
20 3HZ LYS 3 3HZ LYS 3 -0.299 -16.132 -12.314
21 H VAL 4 H VAL 4 2.515 -17.112 -15.850
22 HA VAL 4 HA VAL 4 4.543 -19.276 -15.921
23 HB VAL 4 HB VAL 4 4.349 -18.433 -18.233
24 1HG1 VAL 4 1HG1 VAL 4 4.660 -16.126 -18.778
25 2HG1 VAL 4 2HG1 VAL 4 5.182 -15.737 -17.139
26 3HG1 VAL 4 3HG1 VAL 4 3.498 -16.154 -17.452
27 1HG2 VAL 4 1HG2 VAL 4 6.811 -17.715 -16.639
28 2HG2 VAL 4 2HG2 VAL 4 6.756 -17.469 -18.384
29 3HG2 VAL 4 3HG2 VAL 4 6.563 -19.089 -17.717
30 H GLN 5 H GLN 5 3.820 -15.822 -15.430
31 HA GLN 5 HA GLN 5 6.215 -15.193 -13.959
32 1HB GLN 5 2HB GLN 5 3.463 -14.024 -14.316
33 2HB GLN 5 1HB GLN 5 4.583 -13.300 -13.162
34 1HG GLN 5 2HG GLN 5 6.043 -13.789 -15.554
35 2HG GLN 5 1HG GLN 5 4.532 -13.006 -16.016
36 1HE2 GLN 5 1HE2 GLN 5 7.652 -12.274 -15.147
37 2HE2 GLN 5 2HE2 GLN 5 7.404 -10.740 -14.464
38 H ALA 6 H ALA 6 6.048 -14.493 -11.564
39 HA ALA 6 HA ALA 6 4.465 -16.542 -10.045
40 1HB ALA 6 1HB ALA 6 7.183 -16.235 -10.263
41 2HB ALA 6 2HB ALA 6 6.380 -17.003 -8.893
42 3HB ALA 6 3HB ALA 6 6.842 -15.303 -8.805
43 H TYR 7 H TYR 7 3.258 -14.079 -10.664
44 HA TYR 7 HA TYR 7 3.656 -12.140 -8.520
45 1HB TYR 7 2HB TYR 7 2.083 -12.510 -10.972
46 2HB TYR 7 1HB TYR 7 1.198 -11.659 -9.706
47 HD1 TYR 7 1HD TYR 7 4.699 -11.732 -11.075
48 HD2 TYR 7 2HD TYR 7 1.399 -9.343 -9.710
49 HE1 TYR 7 1HE TYR 7 5.992 -9.671 -11.555
50 HE2 TYR 7 2HE TYR 7 2.693 -7.283 -10.191
51 HH TYR 7 HH TYR 7 5.467 -6.849 -10.336
52 H VAL 8 H VAL 8 3.325 -14.386 -7.095
53 HA VAL 8 HA VAL 8 0.474 -14.288 -6.160
54 HB VAL 8 HB VAL 8 0.611 -16.663 -5.807
55 1HG1 VAL 8 1HG1 VAL 8 0.253 -15.986 -8.149
56 2HG1 VAL 8 2HG1 VAL 8 1.176 -17.487 -8.068
57 3HG1 VAL 8 3HG1 VAL 8 1.996 -15.964 -8.414
58 1HG2 VAL 8 1HG2 VAL 8 3.539 -16.473 -6.580
59 2HG2 VAL 8 2HG2 VAL 8 2.679 -17.921 -6.054
60 3HG2 VAL 8 3HG2 VAL 8 2.960 -16.601 -4.919
61 H SER 9 H SER 9 3.058 -12.880 -5.272
62 HA SER 9 HA SER 9 3.300 -13.998 -2.509
63 1HB SER 9 2HB SER 9 5.326 -12.436 -2.532
64 2HB SER 9 1HB SER 9 5.385 -13.778 -3.671
65 HG SER 9 HG SER 9 4.232 -11.347 -4.462
66 H ASP 10 H ASP 10 4.181 -11.652 -1.248
67 HA ASP 10 HA ASP 10 1.776 -10.384 -0.455
68 1HB ASP 10 2HB ASP 10 3.313 -8.836 0.681
69 2HB ASP 10 1HB ASP 10 3.926 -10.487 0.800
70 H GLU 11 H GLU 11 0.824 -9.875 -2.622
71 HA GLU 11 HA GLU 11 1.967 -8.042 -4.484
72 1HB GLU 11 2HB GLU 11 -0.265 -9.599 -4.285
73 2HB GLU 11 1HB GLU 11 -0.965 -7.997 -4.048
74 1HG GLU 11 2HG GLU 11 0.605 -7.411 -6.128
75 2HG GLU 11 1HG GLU 11 0.394 -9.133 -6.452
76 H ILE 12 H ILE 12 0.860 -7.495 -1.293
77 HA ILE 12 HA ILE 12 -0.355 -4.969 -1.339
78 HB ILE 12 HB ILE 12 1.598 -6.334 0.520
79 1HG1 ILE 12 2HG1 ILE 12 -0.806 -7.127 0.166
80 2HG1 ILE 12 1HG1 ILE 12 -0.354 -6.772 1.833
81 1HG2 ILE 12 1HG2 ILE 12 2.038 -4.260 1.358
82 2HG2 ILE 12 2HG2 ILE 12 0.432 -4.410 2.071
83 3HG2 ILE 12 3HG2 ILE 12 0.645 -3.535 0.555
84 1HD1 ILE 12 1HD1 ILE 12 -1.676 -4.731 0.033
85 2HD1 ILE 12 2HD1 ILE 12 -1.469 -4.654 1.783
86 3HD1 ILE 12 3HD1 ILE 12 -2.593 -5.815 1.078
87 H VAL 13 H VAL 13 3.119 -5.755 -1.554
88 HA VAL 13 HA VAL 13 4.308 -3.250 -1.320
89 HB VAL 13 HB VAL 13 5.994 -4.185 -2.901
90 1HG1 VAL 13 1HG1 VAL 13 6.677 -5.826 -1.427
91 2HG1 VAL 13 2HG1 VAL 13 5.071 -6.542 -1.315
92 3HG1 VAL 13 3HG1 VAL 13 5.437 -5.057 -0.437
93 1HG2 VAL 13 1HG2 VAL 13 3.728 -6.114 -3.432
94 2HG2 VAL 13 2HG2 VAL 13 5.405 -6.552 -3.755
95 3HG2 VAL 13 3HG2 VAL 13 4.671 -5.189 -4.600
96 H TYR 14 H TYR 14 2.625 -4.578 -4.171
97 HA TYR 14 HA TYR 14 3.174 -2.305 -5.884
98 1HB TYR 14 2HB TYR 14 2.397 -4.817 -6.295
99 2HB TYR 14 1HB TYR 14 0.790 -4.095 -6.206
100 HD1 TYR 14 1HD TYR 14 4.013 -2.740 -7.549
101 HD2 TYR 14 2HD TYR 14 -0.022 -3.942 -8.402
102 HE1 TYR 14 1HE TYR 14 4.254 -1.905 -9.873
103 HE2 TYR 14 2HE TYR 14 0.220 -3.107 -10.724
104 HH TYR 14 HH TYR 14 1.740 -2.440 -12.287
105 H LYS 15 H LYS 15 0.665 -3.098 -3.543
106 HA LYS 15 HA LYS 15 -1.222 -1.059 -4.383
107 1HB LYS 15 2HB LYS 15 -0.923 -3.155 -2.406
108 2HB LYS 15 1HB LYS 15 -1.557 -1.694 -1.649
109 1HG LYS 15 2HG LYS 15 -3.560 -1.927 -2.665
110 2HG LYS 15 1HG LYS 15 -2.807 -2.213 -4.234
111 1HD LYS 15 2HD LYS 15 -2.560 -4.417 -2.262
112 2HD LYS 15 1HD LYS 15 -4.184 -4.120 -2.887
113 1HE LYS 15 2HE LYS 15 -2.190 -4.030 -5.018
114 2HE LYS 15 1HE LYS 15 -2.199 -5.595 -4.181
115 1HZ LYS 15 1HZ LYS 15 -4.566 -4.162 -5.266
116 2HZ LYS 15 2HZ LYS 15 -4.635 -5.594 -4.353
117 3HZ LYS 15 3HZ LYS 15 -3.892 -5.593 -5.880
118 H ILE 16 H ILE 16 1.497 -1.177 -2.120
119 HA ILE 16 HA ILE 16 0.938 1.327 -0.789
120 HB ILE 16 HB ILE 16 3.546 -0.162 -1.234
121 1HG1 ILE 16 2HG1 ILE 16 1.325 -0.494 0.800
122 2HG1 ILE 16 1HG1 ILE 16 1.965 -1.712 -0.305
123 1HG2 ILE 16 1HG2 ILE 16 4.327 0.969 0.729
124 2HG2 ILE 16 2HG2 ILE 16 2.719 1.601 1.084
125 3HG2 ILE 16 3HG2 ILE 16 3.620 2.210 -0.305
126 1HD1 ILE 16 1HD1 ILE 16 4.231 -1.295 0.894
127 2HD1 ILE 16 2HD1 ILE 16 3.006 -2.240 1.740
128 3HD1 ILE 16 3HD1 ILE 16 3.253 -0.544 2.155
129 H ASN 17 H ASN 17 2.271 0.514 -3.884
130 HA ASN 17 HA ASN 17 3.988 2.731 -4.375
131 1HB ASN 17 2HB ASN 17 2.866 0.522 -5.733
132 2HB ASN 17 1HB ASN 17 2.433 1.940 -6.688
133 1HD2 ASN 17 1HD2 ASN 17 4.804 -0.344 -6.479
134 2HD2 ASN 17 2HD2 ASN 17 6.133 0.558 -7.028
135 H LYS 18 H LYS 18 0.478 2.359 -4.982
136 HA LYS 18 HA LYS 18 0.122 5.038 -6.016
137 1HB LYS 18 2HB LYS 18 -2.259 4.436 -5.795
138 2HB LYS 18 1HB LYS 18 -1.345 3.083 -6.461
139 1HG LYS 18 2HG LYS 18 -1.202 2.804 -3.656
140 2HG LYS 18 1HG LYS 18 -2.884 3.194 -4.020
141 1HD LYS 18 2HD LYS 18 -1.302 1.042 -5.453
142 2HD LYS 18 1HD LYS 18 -2.380 0.730 -4.091
143 1HE LYS 18 2HE LYS 18 -4.075 0.579 -5.591
144 2HE LYS 18 1HE LYS 18 -3.877 2.318 -5.888
145 1HZ LYS 18 1HZ LYS 18 -3.516 0.591 -7.809
146 2HZ LYS 18 2HZ LYS 18 -1.970 0.458 -7.116
147 3HZ LYS 18 3HZ LYS 18 -2.526 1.962 -7.678
148 H ILE 19 H ILE 19 0.226 3.658 -2.806
149 HA ILE 19 HA ILE 19 -1.212 5.742 -1.417
150 HB ILE 19 HB ILE 19 0.906 3.731 -0.595
151 1HG1 ILE 19 2HG1 ILE 19 -1.333 2.925 -1.508
152 2HG1 ILE 19 1HG1 ILE 19 -0.948 2.383 0.126
153 1HG2 ILE 19 1HG2 ILE 19 -0.946 5.402 1.134
154 2HG2 ILE 19 2HG2 ILE 19 0.797 5.632 0.989
155 3HG2 ILE 19 3HG2 ILE 19 0.159 4.155 1.712
156 1HD1 ILE 19 1HD1 ILE 19 -3.296 3.228 -0.105
157 2HD1 ILE 19 2HD1 ILE 19 -2.642 4.817 -0.504
158 3HD1 ILE 19 3HD1 ILE 19 -2.351 4.117 1.089
159 H VAL 20 H VAL 20 2.295 5.132 -1.860
160 HA VAL 20 HA VAL 20 3.125 7.576 -0.562
161 HB VAL 20 HB VAL 20 4.613 5.964 -2.649
162 1HG1 VAL 20 1HG1 VAL 20 5.324 8.180 -1.131
163 2HG1 VAL 20 2HG1 VAL 20 6.447 7.059 -1.903
164 3HG1 VAL 20 3HG1 VAL 20 5.990 6.827 -0.215
165 1HG2 VAL 20 1HG2 VAL 20 4.219 4.164 -1.325
166 2HG2 VAL 20 2HG2 VAL 20 3.570 5.160 -0.025
167 3HG2 VAL 20 3HG2 VAL 20 5.312 4.934 -0.176
168 H GLU 21 H GLU 21 3.123 6.649 -4.032
169 HA GLU 21 HA GLU 21 3.897 9.030 -5.219
170 1HB GLU 21 2HB GLU 21 3.278 6.859 -6.313
171 2HB GLU 21 1HB GLU 21 1.579 7.267 -6.073
172 1HG GLU 21 2HG GLU 21 1.693 9.115 -7.549
173 2HG GLU 21 1HG GLU 21 3.457 9.143 -7.507
174 H ARG 22 H ARG 22 0.808 8.328 -3.662
175 HA ARG 22 HA ARG 22 -0.848 10.371 -4.610
176 1HB ARG 22 2HB ARG 22 -0.855 8.492 -2.602
177 2HB ARG 22 1HB ARG 22 -0.837 9.996 -1.682
178 1HG ARG 22 2HG ARG 22 -2.734 10.772 -3.241
179 2HG ARG 22 1HG ARG 22 -2.867 9.081 -3.723
180 1HD ARG 22 2HD ARG 22 -2.964 8.607 -1.147
181 2HD ARG 22 1HD ARG 22 -3.412 10.321 -1.032
182 HE ARG 22 HE ARG 22 -5.102 8.227 -2.085
183 1HH1 ARG 22 1HH1 ARG 22 -5.094 11.422 -1.293
184 2HH1 ARG 22 2HH1 ARG 22 -6.131 11.956 -2.573
185 1HH2 ARG 22 1HH2 ARG 22 -6.027 8.937 -4.276
186 2HH2 ARG 22 2HH2 ARG 22 -6.660 10.550 -4.262
187 H ARG 23 H ARG 23 1.593 10.611 -1.998
188 HA ARG 23 HA ARG 23 1.231 13.234 -1.146
189 1HB ARG 23 2HB ARG 23 3.779 11.702 -1.761
190 2HB ARG 23 1HB ARG 23 3.726 13.172 -0.787
191 1HG ARG 23 2HG ARG 23 1.727 11.297 0.133
192 2HG ARG 23 1HG ARG 23 3.314 10.529 0.105
193 1HD ARG 23 2HD ARG 23 4.185 11.958 1.709
194 2HD ARG 23 1HD ARG 23 3.124 13.300 1.235
195 HE ARG 23 HE ARG 23 1.732 10.955 2.338
196 1HH1 ARG 23 1HH1 ARG 23 3.746 13.417 3.484
197 2HH1 ARG 23 2HH1 ARG 23 2.629 14.005 4.669
198 1HH2 ARG 23 1HH2 ARG 23 0.026 11.976 3.607
199 2HH2 ARG 23 2HH2 ARG 23 0.522 13.190 4.738
200 H ARG 24 H ARG 24 3.839 12.585 -3.491
201 HA ARG 24 HA ARG 24 3.905 15.229 -4.536
202 1HB ARG 24 2HB ARG 24 5.601 13.326 -4.700
203 2HB ARG 24 1HB ARG 24 4.601 12.666 -5.996
204 1HG ARG 24 2HG ARG 24 4.829 14.811 -7.233
205 2HG ARG 24 1HG ARG 24 5.893 15.410 -5.960
206 1HD ARG 24 2HD ARG 24 6.396 13.088 -7.846
207 2HD ARG 24 1HD ARG 24 7.369 14.559 -7.641
208 HE ARG 24 HE ARG 24 7.112 12.409 -5.574
209 1HH1 ARG 24 1HH2 ARG 24 8.248 15.533 -6.304
210 2HH1 ARG 24 2HH2 ARG 24 9.793 15.313 -5.552
211 1HH2 ARG 24 1HH1 ARG 24 9.285 11.950 -4.881
212 2HH2 ARG 24 2HH1 ARG 24 10.381 13.284 -4.748
213 H ALA 25 H ALA 25 2.079 12.356 -5.562
214 HA ALA 25 HA ALA 25 1.065 13.102 -8.032
215 1HB ALA 25 1HB ALA 25 -1.005 11.866 -7.244
216 2HB ALA 25 2HB ALA 25 -0.301 11.857 -5.627
217 3HB ALA 25 3HB ALA 25 0.509 11.011 -6.946
218 H GLU 26 H GLU 26 0.011 14.282 -4.837
219 HA GLU 26 HA GLU 26 -2.043 16.004 -5.999
220 1HB GLU 26 2HB GLU 26 -2.584 16.440 -3.733
221 2HB GLU 26 1HB GLU 26 -1.999 14.778 -3.724
222 1HG GLU 26 2HG GLU 26 0.315 16.302 -3.411
223 2HG GLU 26 1HG GLU 26 -0.882 17.137 -2.421
224 H GLY 27 H GLY 27 1.332 16.258 -5.183
225 1HA GLY 27 2HA GLY 27 2.427 18.238 -6.351
226 2HA GLY 27 1HA GLY 27 1.179 19.221 -5.586
227 H ALA 28 H ALA 28 2.699 16.526 -3.927
228 HA ALA 28 HA ALA 28 3.509 18.266 -1.728
229 1HB ALA 28 1HB ALA 28 4.015 15.337 -2.349
230 2HB ALA 28 2HB ALA 28 2.642 15.971 -1.444
231 3HB ALA 28 3HB ALA 28 4.271 16.102 -0.781
232 H LYS 29 H LYS 29 5.952 17.220 -0.943
233 HA LYS 29 HA LYS 29 7.896 17.308 -3.136
234 1HB LYS 29 2HB LYS 29 8.926 19.438 -2.138
235 2HB LYS 29 1HB LYS 29 7.417 19.649 -3.026
236 1HG LYS 29 2HG LYS 29 6.880 19.012 -0.251
237 2HG LYS 29 1HG LYS 29 7.933 20.422 -0.370
238 1HD LYS 29 2HD LYS 29 5.544 20.238 -2.174
239 2HD LYS 29 1HD LYS 29 5.312 20.718 -0.492
240 1HE LYS 29 2HE LYS 29 6.839 22.589 -0.744
241 2HE LYS 29 1HE LYS 29 7.287 22.053 -2.376
242 1HZ LYS 29 1HZ LYS 29 4.674 22.074 -2.640
243 2HZ LYS 29 2HZ LYS 29 5.608 23.467 -2.919
244 3HZ LYS 29 3HZ LYS 29 4.796 23.267 -1.440
245 H SER 30 H SER 30 10.182 17.918 -1.772
246 HA SER 30 HA SER 30 11.722 17.054 -0.199
247 1HB SER 30 2HB SER 30 9.144 17.480 1.136
248 2HB SER 30 1HB SER 30 10.133 16.262 1.933
249 HG SER 30 HG SER 30 10.381 18.859 2.087
250 H THR 31 H THR 31 12.660 15.028 -0.019
251 HA THR 31 HA THR 31 11.145 12.708 -1.010
252 HB THR 31 HB THR 31 13.492 13.282 -1.665
253 HG1 THR 31 1HG THR 31 14.194 11.184 -1.536
254 1HG2 THR 31 1HG2 THR 31 15.249 12.656 0.092
255 2HG2 THR 31 2HG2 THR 31 13.945 12.760 1.274
256 3HG2 THR 31 3HG2 THR 31 14.402 14.182 0.337
257 H ASP 32 H ASP 32 10.876 14.064 1.840
258 HA ASP 32 HA ASP 32 11.725 12.297 3.865
259 1HB ASP 32 2HB ASP 32 9.753 14.402 3.434
260 2HB ASP 32 1HB ASP 32 9.169 13.194 4.579
261 H VAL 33 H VAL 33 9.054 11.989 1.580
262 HA VAL 33 HA VAL 33 8.063 9.540 2.944
263 HB VAL 33 HB VAL 33 6.506 11.306 2.172
264 1HG1 VAL 33 1HG1 VAL 33 8.234 11.436 -0.009
265 2HG1 VAL 33 2HG1 VAL 33 6.686 12.270 0.136
266 3HG1 VAL 33 3HG1 VAL 33 6.773 10.707 -0.675
267 1HG2 VAL 33 1HG2 VAL 33 5.811 8.902 2.175
268 2HG2 VAL 33 2HG2 VAL 33 6.303 8.790 0.486
269 3HG2 VAL 33 3HG2 VAL 33 4.972 9.851 0.949
270 H SER 34 H SER 34 7.940 7.517 1.778
271 HA SER 34 HA SER 34 9.087 7.221 -0.887
272 1HB SER 34 2HB SER 34 10.749 7.158 1.507
273 2HB SER 34 1HB SER 34 10.854 5.645 0.611
274 HG SER 34 HG SER 34 11.401 8.283 -0.249
275 H PHE 35 H PHE 35 8.912 4.992 -1.623
276 HA PHE 35 HA PHE 35 6.680 3.525 -0.829
277 1HB PHE 35 2HB PHE 35 8.054 3.223 -2.883
278 2HB PHE 35 1HB PHE 35 9.317 2.476 -1.906
279 HD1 PHE 35 1HD PHE 35 8.489 0.492 -0.343
280 HD2 PHE 35 2HD PHE 35 6.457 1.845 -3.878
281 HE1 PHE 35 1HE PHE 35 7.328 -1.693 -0.513
282 HE2 PHE 35 2HE PHE 35 5.296 -0.340 -4.048
283 HZ PHE 35 HZ PHE 35 5.733 -2.109 -2.365
284 H SER 36 H SER 36 10.057 2.971 0.234
285 HA SER 36 HA SER 36 9.460 0.821 2.036
286 1HB SER 36 2HB SER 36 11.686 1.413 1.094
287 2HB SER 36 1HB SER 36 11.688 2.882 2.065
288 HG SER 36 HG SER 36 12.804 1.059 3.017
289 H SER 37 H SER 37 9.624 4.348 2.488
290 HA SER 37 HA SER 37 9.355 4.331 5.351
291 1HB SER 37 2HB SER 37 10.091 6.172 3.686
292 2HB SER 37 1HB SER 37 8.369 6.475 3.465
293 HG SER 37 HG SER 37 8.266 7.299 5.413
294 H ILE 38 H ILE 38 6.951 4.723 2.727
295 HA ILE 38 HA ILE 38 4.675 4.977 4.482
296 HB ILE 38 HB ILE 38 5.027 4.158 1.582
297 1HG1 ILE 38 2HG1 ILE 38 5.784 6.443 2.183
298 2HG1 ILE 38 1HG1 ILE 38 4.355 6.487 1.150
299 1HG2 ILE 38 1HG2 ILE 38 2.490 5.236 1.869
300 2HG2 ILE 38 2HG2 ILE 38 2.657 4.231 3.309
301 3HG2 ILE 38 3HG2 ILE 38 2.856 3.519 1.708
302 1HD1 ILE 38 1HD1 ILE 38 3.439 7.821 2.731
303 2HD1 ILE 38 2HD1 ILE 38 4.679 7.403 3.912
304 3HD1 ILE 38 3HD1 ILE 38 3.276 6.356 3.699
305 H SER 39 H SER 39 6.409 2.227 3.138
306 HA SER 39 HA SER 39 4.331 0.261 3.649
307 1HB SER 39 2HB SER 39 7.298 0.208 3.080
308 2HB SER 39 1HB SER 39 6.378 -1.272 3.333
309 HG SER 39 HG SER 39 6.515 -0.627 1.114
310 H THR 40 H THR 40 7.527 0.715 5.213
311 HA THR 40 HA THR 40 7.184 -0.973 7.410
312 HB THR 40 HB THR 40 9.201 0.388 6.614
313 HG1 THR 40 1HG THR 40 9.787 0.764 8.966
314 1HG2 THR 40 1HG2 THR 40 8.016 2.581 6.658
315 2HG2 THR 40 2HG2 THR 40 9.500 2.595 7.608
316 3HG2 THR 40 3HG2 THR 40 7.939 2.473 8.416
317 H MET 41 H MET 41 6.217 2.475 7.187
318 HA MET 41 HA MET 41 5.254 2.721 9.865
319 1HB MET 41 2HB MET 41 4.259 4.748 9.032
320 2HB MET 41 1HB MET 41 5.751 4.510 8.121
321 1HG MET 41 2HG MET 41 4.569 3.689 6.216
322 2HG MET 41 1HG MET 41 3.069 3.524 7.126
323 1HE MET 41 1HE MET 41 1.599 5.641 5.124
324 2HE MET 41 2HE MET 41 1.146 6.156 6.747
325 3HE MET 41 3HE MET 41 1.530 4.464 6.444
326 H LEU 42 H LEU 42 3.748 1.433 6.937
327 HA LEU 42 HA LEU 42 1.035 1.388 7.912
328 1HB LEU 42 2HB LEU 42 2.386 0.891 5.562
329 2HB LEU 42 1HB LEU 42 1.885 -0.729 6.047
330 HG LEU 42 HG LEU 42 0.029 1.663 5.875
331 1HD1 LEU 42 1HD1 LEU 42 -0.801 0.714 3.824
332 2HD1 LEU 42 2HD1 LEU 42 0.192 -0.730 4.024
333 3HD1 LEU 42 3HD1 LEU 42 0.952 0.819 3.666
334 1HD2 LEU 42 1HD2 LEU 42 -1.694 -0.217 5.985
335 2HD2 LEU 42 2HD2 LEU 42 -0.799 0.080 7.475
336 3HD2 LEU 42 3HD2 LEU 42 -0.368 -1.285 6.445
337 H LEU 43 H LEU 43 3.285 -1.376 7.469
338 HA LEU 43 HA LEU 43 1.753 -3.200 9.053
339 1HB LEU 43 2HB LEU 43 3.456 -3.822 7.380
340 2HB LEU 43 1HB LEU 43 4.715 -3.109 8.393
341 HG LEU 43 HG LEU 43 3.195 -4.883 10.028
342 1HD1 LEU 43 1HD1 LEU 43 2.480 -5.970 7.930
343 2HD1 LEU 43 2HD1 LEU 43 3.579 -7.013 8.834
344 3HD1 LEU 43 3HD1 LEU 43 4.164 -6.120 7.430
345 1HD2 LEU 43 1HD2 LEU 43 5.367 -5.974 10.295
346 2HD2 LEU 43 2HD2 LEU 43 5.594 -4.225 10.258
347 3HD2 LEU 43 3HD2 LEU 43 5.968 -5.194 8.833
348 H GLU 44 H GLU 44 4.456 -1.029 9.889
349 HA GLU 44 HA GLU 44 4.976 -1.948 12.521
350 1HB GLU 44 2HB GLU 44 5.110 0.710 11.092
351 2HB GLU 44 1HB GLU 44 5.566 0.585 12.792
352 1HG GLU 44 2HG GLU 44 6.748 -1.552 11.203
353 2HG GLU 44 1HG GLU 44 7.213 0.040 10.604
354 H LEU 45 H LEU 45 2.353 -0.076 11.188
355 HA LEU 45 HA LEU 45 1.247 0.493 13.894
356 1HB LEU 45 2HB LEU 45 0.958 2.451 12.762
357 2HB LEU 45 1HB LEU 45 1.232 1.676 11.205
358 HG LEU 45 HG LEU 45 -1.121 0.784 11.316
359 1HD1 LEU 45 1HD1 LEU 45 -2.534 1.274 13.058
360 2HD1 LEU 45 2HD1 LEU 45 -1.790 2.845 13.358
361 3HD1 LEU 45 3HD1 LEU 45 -1.017 1.375 13.951
362 1HD2 LEU 45 1HD2 LEU 45 -1.907 2.672 10.271
363 2HD2 LEU 45 2HD2 LEU 45 -0.219 3.165 10.401
364 3HD2 LEU 45 3HD2 LEU 45 -1.398 3.736 11.582
365 H GLY 46 H GLY 46 1.013 -1.764 11.344
366 1HA GLY 46 2HA GLY 46 -0.385 -3.666 11.204
367 2HA GLY 46 1HA GLY 46 -1.266 -3.081 12.616
368 H LEU 47 H LEU 47 -0.711 -1.081 9.786
369 HA LEU 47 HA LEU 47 -2.337 0.122 8.535
370 1HB LEU 47 2HB LEU 47 -3.338 -1.406 6.968
371 2HB LEU 47 1HB LEU 47 -1.789 -2.099 7.438
372 HG LEU 47 HG LEU 47 -4.153 -2.880 9.077
373 1HD1 LEU 47 1HD1 LEU 47 -3.871 -3.397 6.164
374 2HD1 LEU 47 2HD1 LEU 47 -5.323 -3.346 7.163
375 3HD1 LEU 47 3HD1 LEU 47 -4.298 -4.781 7.170
376 1HD2 LEU 47 1HD2 LEU 47 -2.384 -4.935 7.984
377 2HD2 LEU 47 2HD2 LEU 47 -2.746 -4.553 9.669
378 3HD2 LEU 47 3HD2 LEU 47 -1.489 -3.660 8.813
379 H ARG 48 H ARG 48 -3.146 -0.378 11.402
380 HA ARG 48 HA ARG 48 -5.980 -1.030 11.395
381 1HB ARG 48 2HB ARG 48 -4.548 -1.376 13.340
382 2HB ARG 48 1HB ARG 48 -4.138 0.340 13.381
383 1HG ARG 48 2HG ARG 48 -6.834 0.521 13.454
384 2HG ARG 48 1HG ARG 48 -6.622 -1.033 14.259
385 1HD ARG 48 2HD ARG 48 -4.642 0.693 15.338
386 2HD ARG 48 1HD ARG 48 -6.168 1.601 15.336
387 HE ARG 48 HE ARG 48 -7.193 -0.220 16.616
388 1HH1 ARG 48 1HH1 ARG 48 -4.553 -1.765 15.435
389 2HH1 ARG 48 2HH1 ARG 48 -3.951 -2.348 16.950
390 1HH2 ARG 48 1HH2 ARG 48 -6.102 -0.407 18.855
391 2HH2 ARG 48 2HH2 ARG 48 -4.828 -1.580 18.887
392 H VAL 49 H VAL 49 -5.013 1.940 12.958
393 HA VAL 49 HA VAL 49 -7.184 3.508 12.246
394 HB VAL 49 HB VAL 49 -5.575 5.420 12.603
395 1HG1 VAL 49 1HG1 VAL 49 -4.773 3.480 14.680
396 2HG1 VAL 49 2HG1 VAL 49 -6.510 3.563 14.386
397 3HG1 VAL 49 3HG1 VAL 49 -5.622 5.016 14.844
398 1HG2 VAL 49 1HG2 VAL 49 -3.293 3.972 13.424
399 2HG2 VAL 49 2HG2 VAL 49 -3.419 5.061 12.042
400 3HG2 VAL 49 3HG2 VAL 49 -3.717 3.336 11.835
401 H TYR 50 H TYR 50 -4.450 2.620 10.238
402 HA TYR 50 HA TYR 50 -4.547 4.596 8.222
403 1HB TYR 50 2HB TYR 50 -2.797 2.978 8.257
404 2HB TYR 50 1HB TYR 50 -3.938 1.634 8.261
405 HD1 TYR 50 1HD TYR 50 -3.424 0.460 6.268
406 HD2 TYR 50 2HD TYR 50 -3.997 4.716 6.158
407 HE1 TYR 50 1HE TYR 50 -3.363 0.404 3.790
408 HE2 TYR 50 2HE TYR 50 -3.937 4.660 3.680
409 HH TYR 50 HH TYR 50 -4.127 1.742 1.902
410 H GLU 51 H GLU 51 -6.239 1.417 8.211
411 HA GLU 51 HA GLU 51 -7.815 1.968 5.909
412 1HB GLU 51 2HB GLU 51 -7.219 -0.054 7.847
413 2HB GLU 51 1HB GLU 51 -8.958 0.057 7.673
414 1HG GLU 51 2HG GLU 51 -8.108 -1.512 6.034
415 2HG GLU 51 1HG GLU 51 -8.664 -0.065 5.199
416 H ALA 52 H ALA 52 -8.433 2.237 9.414
417 HA ALA 52 HA ALA 52 -11.216 2.891 9.247
418 1HB ALA 52 1HB ALA 52 -9.867 4.180 11.448
419 2HB ALA 52 2HB ALA 52 -9.157 2.587 11.177
420 3HB ALA 52 3HB ALA 52 -10.888 2.742 11.478
421 H GLN 53 H GLN 53 -8.288 4.928 9.259
422 HA GLN 53 HA GLN 53 -9.317 7.491 9.485
423 1HB GLN 53 2HB GLN 53 -7.193 6.271 7.717
424 2HB GLN 53 1HB GLN 53 -7.466 8.012 7.748
425 1HG GLN 53 2HG GLN 53 -7.218 6.635 10.379
426 2HG GLN 53 1HG GLN 53 -5.746 6.815 9.424
427 1HE2 GLN 53 1HE2 GLN 53 -4.658 8.656 10.128
428 2HE2 GLN 53 2HE2 GLN 53 -5.394 10.137 10.507
429 H MET 54 H MET 54 -8.950 5.792 6.340
430 HA MET 54 HA MET 54 -10.868 7.686 5.105
431 1HB MET 54 2HB MET 54 -10.050 6.715 3.045
432 2HB MET 54 1HB MET 54 -8.658 6.963 4.099
433 1HG MET 54 2HG MET 54 -8.992 4.552 4.876
434 2HG MET 54 1HG MET 54 -10.112 4.375 3.527
435 1HE MET 54 1HE MET 54 -8.672 2.488 2.127
436 2HE MET 54 2HE MET 54 -8.080 2.490 3.787
437 3HE MET 54 3HE MET 54 -6.933 2.459 2.450
438 H GLU 55 H GLU 55 -10.959 4.663 6.655
439 HA GLU 55 HA GLU 55 -12.624 2.988 6.779
440 1HB GLU 55 2HB GLU 55 -13.740 5.457 6.935
441 2HB GLU 55 1HB GLU 55 -14.587 4.831 5.521
442 1HG GLU 55 2HG GLU 55 -15.566 3.077 6.718
443 2HG GLU 55 1HG GLU 55 -14.342 3.130 7.986
444 H ARG 56 H ARG 56 -14.548 2.045 5.259
445 HA ARG 56 HA ARG 56 -13.865 2.256 2.381
446 1HB ARG 56 2HB ARG 56 -13.092 0.089 4.232
447 2HB ARG 56 1HB ARG 56 -13.849 -0.467 2.739
448 1HG ARG 56 2HG ARG 56 -11.738 1.646 2.553
449 2HG ARG 56 1HG ARG 56 -11.231 -0.017 2.852
450 1HD ARG 56 2HD ARG 56 -13.086 -0.345 0.834
451 2HD ARG 56 1HD ARG 56 -12.305 1.184 0.388
452 HE ARG 56 HE ARG 56 -10.208 0.032 0.221
453 1HH1 ARG 56 1HH1 ARG 56 -12.334 -1.838 2.112
454 2HH1 ARG 56 2HH1 ARG 56 -11.667 -3.363 1.630
455 1HH2 ARG 56 1HH2 ARG 56 -9.520 -1.981 -0.717
456 2HH2 ARG 56 2HH2 ARG 56 -10.075 -3.444 0.027
Start of MODEL 15
1 1H ALA 2 1H ALA 2 12.683 -25.765 -15.942
2 2H ALA 2 2H ALA 2 11.009 -25.729 -16.231
3 3H ALA 2 3H ALA 2 11.751 -27.159 -15.691
4 HA ALA 2 HA ALA 2 11.982 -26.409 -13.533
5 1HB ALA 2 1HB ALA 2 12.924 -24.222 -14.868
6 2HB ALA 2 2HB ALA 2 12.679 -24.267 -13.122
7 3HB ALA 2 3HB ALA 2 11.446 -23.565 -14.169
8 H LYS 3 H LYS 3 10.001 -27.320 -12.945
9 HA LYS 3 HA LYS 3 7.509 -25.806 -13.602
10 1HB LYS 3 2HB LYS 3 7.955 -28.625 -12.566
11 2HB LYS 3 1HB LYS 3 6.420 -27.956 -13.122
12 1HG LYS 3 2HG LYS 3 6.940 -28.342 -15.282
13 2HG LYS 3 1HG LYS 3 8.520 -27.579 -15.100
14 1HD LYS 3 2HD LYS 3 8.222 -30.235 -13.816
15 2HD LYS 3 1HD LYS 3 8.197 -30.231 -15.579
16 1HE LYS 3 2HE LYS 3 10.338 -29.024 -15.640
17 2HE LYS 3 1HE LYS 3 10.362 -28.956 -13.866
18 1HZ LYS 3 1HZ LYS 3 10.529 -31.330 -15.619
19 2HZ LYS 3 2HZ LYS 3 10.007 -31.470 -14.009
20 3HZ LYS 3 3HZ LYS 3 11.562 -30.876 -14.353
21 H VAL 4 H VAL 4 7.863 -24.209 -11.872
22 HA VAL 4 HA VAL 4 7.236 -25.322 -9.160
23 HB VAL 4 HB VAL 4 9.569 -24.768 -9.169
24 1HG1 VAL 4 1HG1 VAL 4 9.732 -23.509 -11.212
25 2HG1 VAL 4 2HG1 VAL 4 10.291 -22.452 -9.918
26 3HG1 VAL 4 3HG1 VAL 4 8.672 -22.245 -10.587
27 1HG2 VAL 4 1HG2 VAL 4 7.922 -23.696 -7.386
28 2HG2 VAL 4 2HG2 VAL 4 8.449 -22.188 -8.131
29 3HG2 VAL 4 3HG2 VAL 4 9.633 -23.268 -7.395
30 H GLN 5 H GLN 5 4.983 -24.694 -9.742
31 HA GLN 5 HA GLN 5 4.131 -22.110 -10.514
32 1HB GLN 5 2HB GLN 5 2.995 -24.400 -8.933
33 2HB GLN 5 1HB GLN 5 2.068 -22.906 -9.075
34 1HG GLN 5 2HG GLN 5 3.254 -24.069 -11.562
35 2HG GLN 5 1HG GLN 5 1.823 -24.844 -10.882
36 1HE2 GLN 5 1HE2 GLN 5 0.251 -22.800 -9.990
37 2HE2 GLN 5 2HE2 GLN 5 -0.111 -21.705 -11.236
38 H ALA 6 H ALA 6 2.475 -21.112 -8.529
39 HA ALA 6 HA ALA 6 3.629 -20.817 -5.932
40 1HB ALA 6 1HB ALA 6 5.494 -19.687 -6.625
41 2HB ALA 6 2HB ALA 6 4.394 -18.312 -6.721
42 3HB ALA 6 3HB ALA 6 4.766 -19.246 -8.170
43 H TYR 7 H TYR 7 1.344 -20.801 -5.449
44 HA TYR 7 HA TYR 7 -0.377 -18.690 -6.554
45 1HB TYR 7 2HB TYR 7 -0.568 -21.131 -4.902
46 2HB TYR 7 1HB TYR 7 -1.732 -19.873 -4.483
47 HD1 TYR 7 1HD TYR 7 -3.655 -19.538 -5.798
48 HD2 TYR 7 2HD TYR 7 -0.354 -21.775 -7.395
49 HE1 TYR 7 1HE TYR 7 -5.019 -20.135 -7.782
50 HE2 TYR 7 2HE TYR 7 -1.716 -22.371 -9.380
51 HH TYR 7 HH TYR 7 -4.770 -22.370 -9.577
52 H VAL 8 H VAL 8 1.735 -17.399 -5.347
53 HA VAL 8 HA VAL 8 0.482 -16.292 -2.857
54 HB VAL 8 HB VAL 8 3.331 -17.115 -3.455
55 1HG1 VAL 8 1HG1 VAL 8 2.327 -14.943 -1.737
56 2HG1 VAL 8 2HG1 VAL 8 3.962 -15.245 -2.329
57 3HG1 VAL 8 3HG1 VAL 8 3.370 -16.094 -0.900
58 1HG2 VAL 8 1HG2 VAL 8 2.513 -17.843 -0.866
59 2HG2 VAL 8 2HG2 VAL 8 2.652 -18.909 -2.263
60 3HG2 VAL 8 3HG2 VAL 8 1.108 -18.141 -1.891
61 H SER 9 H SER 9 -0.272 -14.370 -3.818
62 HA SER 9 HA SER 9 1.787 -12.673 -5.192
63 1HB SER 9 2HB SER 9 -1.011 -13.406 -5.728
64 2HB SER 9 1HB SER 9 -0.701 -11.677 -5.858
65 HG SER 9 HG SER 9 1.102 -13.493 -7.006
66 H ASP 10 H ASP 10 2.500 -11.572 -3.288
67 HA ASP 10 HA ASP 10 0.838 -10.530 -1.232
68 1HB ASP 10 2HB ASP 10 2.867 -9.001 -0.926
69 2HB ASP 10 1HB ASP 10 3.212 -10.731 -0.949
70 H GLU 11 H GLU 11 -0.979 -9.694 -2.658
71 HA GLU 11 HA GLU 11 -0.769 -7.565 -4.496
72 1HB GLU 11 2HB GLU 11 -3.142 -7.165 -3.831
73 2HB GLU 11 1HB GLU 11 -2.796 -8.879 -4.053
74 1HG GLU 11 2HG GLU 11 -2.165 -8.579 -1.419
75 2HG GLU 11 1HG GLU 11 -3.462 -7.394 -1.581
76 H ILE 12 H ILE 12 -0.587 -7.535 -0.983
77 HA ILE 12 HA ILE 12 -1.113 -4.823 -0.407
78 HB ILE 12 HB ILE 12 0.753 -6.911 0.731
79 1HG1 ILE 12 2HG1 ILE 12 -1.759 -7.148 0.891
80 2HG1 ILE 12 1HG1 ILE 12 -0.940 -7.077 2.452
81 1HG2 ILE 12 1HG2 ILE 12 1.838 -5.270 1.837
82 2HG2 ILE 12 2HG2 ILE 12 0.330 -4.979 2.705
83 3HG2 ILE 12 3HG2 ILE 12 0.709 -4.044 1.257
84 1HD1 ILE 12 1HD1 ILE 12 -2.945 -5.296 1.386
85 2HD1 ILE 12 2HD1 ILE 12 -1.466 -4.398 1.728
86 3HD1 ILE 12 3HD1 ILE 12 -2.246 -5.332 3.005
87 H VAL 13 H VAL 13 2.038 -6.328 -1.223
88 HA VAL 13 HA VAL 13 3.785 -4.207 -1.106
89 HB VAL 13 HB VAL 13 3.396 -6.341 -3.218
90 1HG1 VAL 13 1HG1 VAL 13 5.038 -5.425 -4.451
91 2HG1 VAL 13 2HG1 VAL 13 6.108 -5.428 -3.049
92 3HG1 VAL 13 3HG1 VAL 13 5.069 -4.038 -3.363
93 1HG2 VAL 13 1HG2 VAL 13 5.341 -6.066 -0.903
94 2HG2 VAL 13 2HG2 VAL 13 5.210 -7.449 -1.989
95 3HG2 VAL 13 3HG2 VAL 13 3.888 -7.065 -0.889
96 H TYR 14 H TYR 14 1.611 -4.868 -3.880
97 HA TYR 14 HA TYR 14 2.359 -2.468 -5.321
98 1HB TYR 14 2HB TYR 14 1.078 -4.819 -5.858
99 2HB TYR 14 1HB TYR 14 -0.292 -3.713 -5.771
100 HD1 TYR 14 1HD TYR 14 -0.626 -1.988 -7.422
101 HD2 TYR 14 2HD TYR 14 2.913 -4.421 -7.488
102 HE1 TYR 14 1HE TYR 14 -0.075 -1.126 -9.681
103 HE2 TYR 14 2HE TYR 14 3.462 -3.560 -9.747
104 HH TYR 14 HH TYR 14 1.228 -1.810 -11.638
105 H LYS 15 H LYS 15 -0.325 -3.309 -3.132
106 HA LYS 15 HA LYS 15 -1.972 -1.052 -3.446
107 1HB LYS 15 2HB LYS 15 -2.269 -3.165 -2.045
108 2HB LYS 15 1HB LYS 15 -1.268 -2.386 -0.819
109 1HG LYS 15 2HG LYS 15 -2.867 -0.448 -0.836
110 2HG LYS 15 1HG LYS 15 -3.909 -1.379 -1.913
111 1HD LYS 15 2HD LYS 15 -4.715 -1.714 0.336
112 2HD LYS 15 1HD LYS 15 -3.926 -3.208 -0.170
113 1HE LYS 15 2HE LYS 15 -3.191 -2.638 2.102
114 2HE LYS 15 1HE LYS 15 -1.828 -2.419 0.986
115 1HZ LYS 15 1HZ LYS 15 -1.931 -0.186 1.141
116 2HZ LYS 15 2HZ LYS 15 -2.685 -0.503 2.630
117 3HZ LYS 15 3HZ LYS 15 -3.623 -0.152 1.258
118 H ILE 16 H ILE 16 1.103 -1.346 -1.729
119 HA ILE 16 HA ILE 16 0.876 1.259 -0.413
120 HB ILE 16 HB ILE 16 3.320 -0.461 -0.913
121 1HG1 ILE 16 2HG1 ILE 16 1.101 -0.727 1.129
122 2HG1 ILE 16 1HG1 ILE 16 1.677 -1.949 -0.002
123 1HG2 ILE 16 1HG2 ILE 16 3.265 1.972 0.175
124 2HG2 ILE 16 2HG2 ILE 16 4.308 0.706 0.824
125 3HG2 ILE 16 3HG2 ILE 16 2.765 1.062 1.601
126 1HD1 ILE 16 1HD1 ILE 16 2.617 -1.396 2.651
127 2HD1 ILE 16 2HD1 ILE 16 3.925 -1.082 1.509
128 3HD1 ILE 16 3HD1 ILE 16 3.145 -2.663 1.544
129 H ASN 17 H ASN 17 2.574 -0.057 -3.257
130 HA ASN 17 HA ASN 17 4.181 2.105 -4.002
131 1HB ASN 17 2HB ASN 17 2.648 -0.052 -5.389
132 2HB ASN 17 1HB ASN 17 3.350 1.218 -6.392
133 1HD2 ASN 17 1HD2 ASN 17 5.330 0.492 -7.179
134 2HD2 ASN 17 2HD2 ASN 17 6.485 -0.359 -6.273
135 H LYS 18 H LYS 18 0.717 1.622 -4.785
136 HA LYS 18 HA LYS 18 0.475 4.168 -6.171
137 1HB LYS 18 2HB LYS 18 -1.892 3.540 -6.216
138 2HB LYS 18 1HB LYS 18 -0.906 2.118 -6.555
139 1HG LYS 18 2HG LYS 18 -1.021 1.853 -3.906
140 2HG LYS 18 1HG LYS 18 -2.509 2.774 -4.122
141 1HD LYS 18 2HD LYS 18 -2.810 0.978 -6.117
142 2HD LYS 18 1HD LYS 18 -1.851 0.011 -4.997
143 1HE LYS 18 2HE LYS 18 -3.480 0.542 -3.180
144 2HE LYS 18 1HE LYS 18 -4.474 1.413 -4.366
145 1HZ LYS 18 1HZ LYS 18 -4.143 -0.766 -5.729
146 2HZ LYS 18 2HZ LYS 18 -5.347 -0.688 -4.533
147 3HZ LYS 18 3HZ LYS 18 -3.870 -1.460 -4.205
148 H ILE 19 H ILE 19 0.227 3.122 -2.848
149 HA ILE 19 HA ILE 19 -1.335 5.402 -1.912
150 HB ILE 19 HB ILE 19 0.306 3.192 -0.663
151 1HG1 ILE 19 2HG1 ILE 19 -2.651 3.854 -0.506
152 2HG1 ILE 19 1HG1 ILE 19 -1.958 2.733 -1.678
153 1HG2 ILE 19 1HG2 ILE 19 -1.254 5.365 0.771
154 2HG2 ILE 19 2HG2 ILE 19 0.503 5.207 0.764
155 3HG2 ILE 19 3HG2 ILE 19 -0.491 3.970 1.533
156 1HD1 ILE 19 1HD1 ILE 19 -0.863 1.779 0.623
157 2HD1 ILE 19 2HD1 ILE 19 -2.376 1.182 -0.058
158 3HD1 ILE 19 3HD1 ILE 19 -2.404 2.387 1.228
159 H VAL 20 H VAL 20 2.113 4.589 -2.131
160 HA VAL 20 HA VAL 20 3.143 6.733 -0.543
161 HB VAL 20 HB VAL 20 4.372 5.444 -2.997
162 1HG1 VAL 20 1HG1 VAL 20 5.312 7.339 -1.115
163 2HG1 VAL 20 2HG1 VAL 20 6.253 6.490 -2.341
164 3HG1 VAL 20 3HG1 VAL 20 6.101 5.813 -0.719
165 1HG2 VAL 20 1HG2 VAL 20 3.446 4.247 -0.530
166 2HG2 VAL 20 2HG2 VAL 20 5.200 4.114 -0.647
167 3HG2 VAL 20 3HG2 VAL 20 4.180 3.466 -1.931
168 H GLU 21 H GLU 21 2.652 6.501 -4.087
169 HA GLU 21 HA GLU 21 3.592 8.942 -4.974
170 1HB GLU 21 2HB GLU 21 2.036 6.906 -5.939
171 2HB GLU 21 1HB GLU 21 0.880 8.238 -5.925
172 1HG GLU 21 2HG GLU 21 3.246 9.355 -6.935
173 2HG GLU 21 1HG GLU 21 3.118 7.779 -7.716
174 H ARG 22 H ARG 22 0.393 8.382 -3.467
175 HA ARG 22 HA ARG 22 -0.803 10.867 -3.641
176 1HB ARG 22 2HB ARG 22 -0.648 8.695 -1.606
177 2HB ARG 22 1HB ARG 22 -1.392 10.211 -1.093
178 1HG ARG 22 2HG ARG 22 -3.267 9.262 -2.001
179 2HG ARG 22 1HG ARG 22 -2.592 9.907 -3.498
180 1HD ARG 22 2HD ARG 22 -1.620 7.783 -4.079
181 2HD ARG 22 1HD ARG 22 -1.970 7.118 -2.471
182 HE ARG 22 HE ARG 22 -4.417 7.436 -3.035
183 1HH1 ARG 22 1HH1 ARG 22 -2.718 8.547 -5.666
184 2HH1 ARG 22 2HH1 ARG 22 -3.499 7.540 -6.840
185 1HH2 ARG 22 1HH2 ARG 22 -5.142 5.606 -4.477
186 2HH2 ARG 22 2HH2 ARG 22 -4.871 5.876 -6.167
187 H ARG 23 H ARG 23 1.726 9.938 -1.285
188 HA ARG 23 HA ARG 23 1.905 12.168 0.333
189 1HB ARG 23 2HB ARG 23 3.373 10.005 0.023
190 2HB ARG 23 1HB ARG 23 4.379 11.060 -0.971
191 1HG ARG 23 2HG ARG 23 5.217 12.112 0.841
192 2HG ARG 23 1HG ARG 23 3.610 12.347 1.529
193 1HD ARG 23 2HD ARG 23 4.873 9.610 1.601
194 2HD ARG 23 1HD ARG 23 5.295 10.822 2.827
195 HE ARG 23 HE ARG 23 2.463 10.019 2.268
196 1HH1 ARG 23 1HH1 ARG 23 3.863 12.323 4.050
197 2HH1 ARG 23 2HH1 ARG 23 3.433 11.710 5.612
198 1HH2 ARG 23 1HH2 ARG 23 2.407 8.622 4.411
199 2HH2 ARG 23 2HH2 ARG 23 2.609 9.615 5.817
200 H ARG 24 H ARG 24 3.704 11.893 -2.766
201 HA ARG 24 HA ARG 24 4.361 14.721 -2.804
202 1HB ARG 24 2HB ARG 24 5.285 12.440 -3.986
203 2HB ARG 24 1HB ARG 24 4.363 13.142 -5.316
204 1HG ARG 24 2HG ARG 24 6.488 14.113 -5.581
205 2HG ARG 24 1HG ARG 24 5.593 15.352 -4.700
206 1HD ARG 24 2HD ARG 24 7.776 15.044 -3.631
207 2HD ARG 24 1HD ARG 24 6.524 14.394 -2.553
208 HE ARG 24 HE ARG 24 7.074 12.131 -3.433
209 1HH1 ARG 24 1HH1 ARG 24 9.573 13.512 -2.216
210 2HH1 ARG 24 2HH1 ARG 24 10.775 13.039 -3.370
211 1HH2 ARG 24 1HH2 ARG 24 8.468 12.039 -5.758
212 2HH2 ARG 24 2HH2 ARG 24 10.149 12.206 -5.377
213 H ALA 25 H ALA 25 1.841 12.709 -4.286
214 HA ALA 25 HA ALA 25 0.757 14.501 -6.160
215 1HB ALA 25 1HB ALA 25 0.154 12.043 -5.115
216 2HB ALA 25 2HB ALA 25 -0.910 12.933 -6.205
217 3HB ALA 25 3HB ALA 25 -1.162 13.018 -4.462
218 H GLU 26 H GLU 26 0.532 14.518 -2.640
219 HA GLU 26 HA GLU 26 -1.451 16.694 -2.674
220 1HB GLU 26 2HB GLU 26 -1.687 16.200 -0.376
221 2HB GLU 26 1HB GLU 26 -1.322 14.633 -1.094
222 1HG GLU 26 2HG GLU 26 1.190 15.702 -0.575
223 2HG GLU 26 1HG GLU 26 0.235 16.201 0.820
224 H GLY 27 H GLY 27 1.989 16.240 -2.394
225 1HA GLY 27 2HA GLY 27 3.353 18.291 -2.826
226 2HA GLY 27 1HA GLY 27 2.262 19.146 -1.733
227 H ALA 28 H ALA 28 4.083 16.065 -1.536
228 HA ALA 28 HA ALA 28 4.517 16.033 1.233
229 1HB ALA 28 1HB ALA 28 5.066 14.322 -0.589
230 2HB ALA 28 2HB ALA 28 6.260 14.473 0.699
231 3HB ALA 28 3HB ALA 28 6.549 15.233 -0.866
232 H LYS 29 H LYS 29 7.054 16.219 2.013
233 HA LYS 29 HA LYS 29 8.114 18.869 1.114
234 1HB LYS 29 2HB LYS 29 6.665 18.291 3.490
235 2HB LYS 29 1HB LYS 29 8.344 18.544 3.967
236 1HG LYS 29 2HG LYS 29 7.675 20.742 3.950
237 2HG LYS 29 1HG LYS 29 8.093 20.591 2.243
238 1HD LYS 29 2HD LYS 29 5.582 19.723 2.068
239 2HD LYS 29 1HD LYS 29 5.397 20.687 3.535
240 1HE LYS 29 2HE LYS 29 5.143 22.471 2.141
241 2HE LYS 29 1HE LYS 29 6.887 22.336 1.838
242 1HZ LYS 29 1HZ LYS 29 5.224 22.125 -0.135
243 2HZ LYS 29 2HZ LYS 29 5.032 20.537 0.435
244 3HZ LYS 29 3HZ LYS 29 6.564 21.090 -0.048
245 H SER 30 H SER 30 8.688 15.970 3.130
246 HA SER 30 HA SER 30 11.622 16.377 2.904
247 1HB SER 30 2HB SER 30 9.698 14.986 4.651
248 2HB SER 30 1HB SER 30 11.171 14.072 4.339
249 HG SER 30 HG SER 30 11.216 15.602 6.154
250 H THR 31 H THR 31 12.980 14.789 1.919
251 HA THR 31 HA THR 31 11.804 13.339 -0.316
252 HB THR 31 HB THR 31 14.590 13.385 0.891
253 HG1 THR 31 1HG THR 31 13.805 14.726 -1.436
254 1HG2 THR 31 1HG2 THR 31 13.396 11.976 -1.389
255 2HG2 THR 31 2HG2 THR 31 14.930 11.689 -0.567
256 3HG2 THR 31 3HG2 THR 31 14.817 12.926 -1.818
257 H ASP 32 H ASP 32 11.835 12.626 2.909
258 HA ASP 32 HA ASP 32 12.800 9.971 3.141
259 1HB ASP 32 2HB ASP 32 10.827 11.754 4.480
260 2HB ASP 32 1HB ASP 32 10.700 10.033 4.846
261 H VAL 33 H VAL 33 10.115 11.173 1.348
262 HA VAL 33 HA VAL 33 8.255 9.050 1.440
263 HB VAL 33 HB VAL 33 9.157 10.993 -0.692
264 1HG1 VAL 33 1HG1 VAL 33 6.986 10.324 -1.856
265 2HG1 VAL 33 2HG1 VAL 33 6.978 8.895 -0.823
266 3HG1 VAL 33 3HG1 VAL 33 8.300 9.150 -1.963
267 1HG2 VAL 33 1HG2 VAL 33 7.931 11.764 1.378
268 2HG2 VAL 33 2HG2 VAL 33 6.568 10.764 0.874
269 3HG2 VAL 33 3HG2 VAL 33 7.089 12.120 -0.129
270 H SER 34 H SER 34 8.159 7.043 0.436
271 HA SER 34 HA SER 34 9.620 6.120 -1.790
272 1HB SER 34 2HB SER 34 11.680 6.486 -0.728
273 2HB SER 34 1HB SER 34 11.042 6.070 0.860
274 HG SER 34 HG SER 34 12.349 4.402 0.022
275 H PHE 35 H PHE 35 8.887 4.038 -2.272
276 HA PHE 35 HA PHE 35 6.706 2.843 -1.077
277 1HB PHE 35 2HB PHE 35 7.721 2.148 -3.200
278 2HB PHE 35 1HB PHE 35 9.128 1.520 -2.343
279 HD1 PHE 35 1HD PHE 35 8.492 -0.635 -3.626
280 HD2 PHE 35 2HD PHE 35 6.069 1.077 -0.517
281 HE1 PHE 35 1HE PHE 35 7.342 -2.812 -3.322
282 HE2 PHE 35 2HE PHE 35 4.923 -1.101 -0.212
283 HZ PHE 35 HZ PHE 35 5.557 -3.044 -1.615
284 H SER 36 H SER 36 10.127 2.210 -0.235
285 HA SER 36 HA SER 36 9.565 0.294 1.839
286 1HB SER 36 2HB SER 36 11.905 2.176 1.394
287 2HB SER 36 1HB SER 36 11.928 0.754 2.432
288 HG SER 36 HG SER 36 11.429 -0.487 0.555
289 H SER 37 H SER 37 9.768 3.822 1.772
290 HA SER 37 HA SER 37 9.806 4.187 4.651
291 1HB SER 37 2HB SER 37 10.519 5.771 2.752
292 2HB SER 37 1HB SER 37 8.805 6.109 2.538
293 HG SER 37 HG SER 37 10.464 7.166 4.291
294 H ILE 38 H ILE 38 7.221 4.656 2.198
295 HA ILE 38 HA ILE 38 5.105 5.119 4.057
296 HB ILE 38 HB ILE 38 5.181 3.949 1.257
297 1HG1 ILE 38 2HG1 ILE 38 6.107 6.209 1.417
298 2HG1 ILE 38 1HG1 ILE 38 4.527 6.278 0.634
299 1HG2 ILE 38 1HG2 ILE 38 2.746 5.139 1.486
300 2HG2 ILE 38 2HG2 ILE 38 2.953 4.521 3.125
301 3HG2 ILE 38 3HG2 ILE 38 3.016 3.417 1.752
302 1HD1 ILE 38 1HD1 ILE 38 5.387 7.389 3.220
303 2HD1 ILE 38 2HD1 ILE 38 3.857 6.513 3.291
304 3HD1 ILE 38 3HD1 ILE 38 4.048 7.870 2.178
305 H SER 39 H SER 39 6.670 2.179 2.985
306 HA SER 39 HA SER 39 4.561 0.351 3.810
307 1HB SER 39 2HB SER 39 6.253 -1.317 3.309
308 2HB SER 39 1HB SER 39 6.380 -0.038 2.104
309 HG SER 39 HG SER 39 8.411 -0.667 3.033
310 H THR 40 H THR 40 7.850 0.838 5.156
311 HA THR 40 HA THR 40 7.542 -0.538 7.568
312 HB THR 40 HB THR 40 9.641 0.401 6.705
313 HG1 THR 40 1HG THR 40 10.109 1.667 8.794
314 1HG2 THR 40 1HG2 THR 40 8.591 2.519 5.859
315 2HG2 THR 40 2HG2 THR 40 10.088 2.778 6.753
316 3HG2 THR 40 3HG2 THR 40 8.534 3.097 7.524
317 H MET 41 H MET 41 6.761 2.914 6.955
318 HA MET 41 HA MET 41 5.923 3.507 9.628
319 1HB MET 41 2HB MET 41 5.099 5.522 8.645
320 2HB MET 41 1HB MET 41 6.483 5.054 7.659
321 1HG MET 41 2HG MET 41 4.906 5.489 6.011
322 2HG MET 41 1HG MET 41 4.657 3.763 6.258
323 1HE MET 41 1HE MET 41 2.448 5.792 4.953
324 2HE MET 41 2HE MET 41 1.068 4.920 5.618
325 3HE MET 41 3HE MET 41 2.482 4.026 5.063
326 H LEU 42 H LEU 42 4.204 2.092 6.865
327 HA LEU 42 HA LEU 42 1.553 2.297 7.991
328 1HB LEU 42 2HB LEU 42 1.627 1.940 5.687
329 2HB LEU 42 1HB LEU 42 2.961 0.795 5.806
330 HG LEU 42 HG LEU 42 1.395 -0.835 6.873
331 1HD1 LEU 42 1HD1 LEU 42 -0.567 1.377 6.246
332 2HD1 LEU 42 2HD1 LEU 42 -0.296 0.572 7.792
333 3HD1 LEU 42 3HD1 LEU 42 -1.076 -0.295 6.469
334 1HD2 LEU 42 1HD2 LEU 42 0.804 -1.650 4.819
335 2HD2 LEU 42 2HD2 LEU 42 1.780 -0.305 4.230
336 3HD2 LEU 42 3HD2 LEU 42 0.027 -0.143 4.335
337 H LEU 43 H LEU 43 3.956 -0.358 7.881
338 HA LEU 43 HA LEU 43 2.487 -2.338 9.234
339 1HB LEU 43 2HB LEU 43 4.923 -2.174 8.159
340 2HB LEU 43 1HB LEU 43 5.387 -1.956 9.848
341 HG LEU 43 HG LEU 43 3.495 -4.032 9.861
342 1HD1 LEU 43 1HD1 LEU 43 4.868 -3.903 7.318
343 2HD1 LEU 43 2HD1 LEU 43 3.645 -5.054 7.856
344 3HD1 LEU 43 3HD1 LEU 43 5.351 -5.360 8.186
345 1HD2 LEU 43 1HD2 LEU 43 6.530 -4.182 9.936
346 2HD2 LEU 43 2HD2 LEU 43 5.416 -5.380 10.597
347 3HD2 LEU 43 3HD2 LEU 43 5.502 -3.770 11.309
348 H GLU 44 H GLU 44 3.813 0.630 10.484
349 HA GLU 44 HA GLU 44 3.987 -0.141 13.268
350 1HB GLU 44 2HB GLU 44 4.216 2.214 11.571
351 2HB GLU 44 1HB GLU 44 3.318 2.597 13.040
352 1HG GLU 44 2HG GLU 44 5.338 1.097 14.077
353 2HG GLU 44 1HG GLU 44 6.163 1.844 12.709
354 H LEU 45 H LEU 45 1.508 0.878 11.065
355 HA LEU 45 HA LEU 45 -0.571 0.959 13.198
356 1HB LEU 45 2HB LEU 45 -0.402 1.770 10.282
357 2HB LEU 45 1HB LEU 45 -1.888 1.876 11.224
358 HG LEU 45 HG LEU 45 0.341 3.063 12.659
359 1HD1 LEU 45 1HD1 LEU 45 -0.359 4.244 9.952
360 2HD1 LEU 45 2HD1 LEU 45 1.182 3.496 10.370
361 3HD1 LEU 45 3HD1 LEU 45 0.683 4.989 11.162
362 1HD2 LEU 45 1HD2 LEU 45 -1.368 5.073 12.306
363 2HD2 LEU 45 2HD2 LEU 45 -1.748 3.743 13.398
364 3HD2 LEU 45 3HD2 LEU 45 -2.431 3.771 11.772
365 H GLY 46 H GLY 46 0.796 -1.110 10.831
366 1HA GLY 46 2HA GLY 46 0.122 -3.183 9.977
367 2HA GLY 46 1HA GLY 46 -0.979 -3.270 11.356
368 H LEU 47 H LEU 47 -1.067 -0.681 8.965
369 HA LEU 47 HA LEU 47 -2.696 -0.138 7.340
370 1HB LEU 47 2HB LEU 47 -3.685 -2.974 7.681
371 2HB LEU 47 1HB LEU 47 -3.749 -1.966 6.238
372 HG LEU 47 HG LEU 47 -1.019 -2.125 7.035
373 1HD1 LEU 47 1HD1 LEU 47 -1.388 -4.853 6.396
374 2HD1 LEU 47 2HD1 LEU 47 -2.524 -4.502 7.700
375 3HD1 LEU 47 3HD1 LEU 47 -0.803 -4.186 7.919
376 1HD2 LEU 47 1HD2 LEU 47 -1.052 -3.560 4.814
377 2HD2 LEU 47 2HD2 LEU 47 -1.432 -1.839 4.761
378 3HD2 LEU 47 3HD2 LEU 47 -2.732 -3.030 4.741
379 H ARG 48 H ARG 48 -4.068 -2.241 9.916
380 HA ARG 48 HA ARG 48 -6.716 -1.468 9.928
381 1HB ARG 48 2HB ARG 48 -5.107 -2.926 11.513
382 2HB ARG 48 1HB ARG 48 -5.287 -1.508 12.546
383 1HG ARG 48 2HG ARG 48 -7.412 -2.051 13.071
384 2HG ARG 48 1HG ARG 48 -7.830 -2.316 11.379
385 1HD ARG 48 2HD ARG 48 -6.179 -4.349 12.884
386 2HD ARG 48 1HD ARG 48 -7.953 -4.370 12.964
387 HE ARG 48 HE ARG 48 -7.293 -4.080 10.242
388 1HH1 ARG 48 1HH1 ARG 48 -5.043 -5.936 11.084
389 2HH1 ARG 48 2HH1 ARG 48 -5.756 -7.488 10.805
390 1HH2 ARG 48 1HH2 ARG 48 -8.994 -6.262 10.615
391 2HH2 ARG 48 2HH2 ARG 48 -7.992 -7.673 10.539
392 H VAL 49 H VAL 49 -4.471 0.113 12.229
393 HA VAL 49 HA VAL 49 -6.080 2.363 12.754
394 HB VAL 49 HB VAL 49 -3.052 2.230 12.636
395 1HG1 VAL 49 1HG1 VAL 49 -3.768 4.457 13.121
396 2HG1 VAL 49 2HG1 VAL 49 -3.354 3.737 14.676
397 3HG1 VAL 49 3HG1 VAL 49 -5.043 3.886 14.197
398 1HG2 VAL 49 1HG2 VAL 49 -3.999 1.704 15.244
399 2HG2 VAL 49 2HG2 VAL 49 -3.196 0.572 14.157
400 3HG2 VAL 49 3HG2 VAL 49 -4.956 0.684 14.170
401 H TYR 50 H TYR 50 -3.711 1.838 10.156
402 HA TYR 50 HA TYR 50 -3.638 4.502 9.127
403 1HB TYR 50 2HB TYR 50 -2.004 2.916 8.434
404 2HB TYR 50 1HB TYR 50 -3.230 1.731 7.988
405 HD1 TYR 50 1HD TYR 50 -1.288 4.596 6.899
406 HD2 TYR 50 2HD TYR 50 -4.717 2.170 5.997
407 HE1 TYR 50 1HE TYR 50 -1.310 5.486 4.584
408 HE2 TYR 50 2HE TYR 50 -4.739 3.061 3.683
409 HH TYR 50 HH TYR 50 -2.608 5.685 2.704
410 H GLU 51 H GLU 51 -5.723 1.718 8.274
411 HA GLU 51 HA GLU 51 -7.211 3.031 6.228
412 1HB GLU 51 2HB GLU 51 -6.907 0.528 7.257
413 2HB GLU 51 1HB GLU 51 -8.491 0.953 7.898
414 1HG GLU 51 2HG GLU 51 -8.292 1.784 5.145
415 2HG GLU 51 1HG GLU 51 -7.879 0.076 5.285
416 H ALA 52 H ALA 52 -7.392 3.141 9.716
417 HA ALA 52 HA ALA 52 -10.128 3.951 10.021
418 1HB ALA 52 1HB ALA 52 -8.168 5.088 11.892
419 2HB ALA 52 2HB ALA 52 -7.939 3.363 11.609
420 3HB ALA 52 3HB ALA 52 -9.488 3.962 12.203
421 H GLN 53 H GLN 53 -7.143 5.774 9.390
422 HA GLN 53 HA GLN 53 -8.476 8.362 9.598
423 1HB GLN 53 2HB GLN 53 -6.232 9.174 8.956
424 2HB GLN 53 1HB GLN 53 -6.120 7.967 10.237
425 1HG GLN 53 2HG GLN 53 -5.138 6.411 8.873
426 2HG GLN 53 1HG GLN 53 -6.049 6.929 7.455
427 1HE2 GLN 53 1HE2 GLN 53 -3.845 6.848 6.351
428 2HE2 GLN 53 2HE2 GLN 53 -2.823 8.195 6.499
429 H MET 54 H MET 54 -8.776 6.028 7.339
430 HA MET 54 HA MET 54 -8.441 7.717 4.931
431 1HB MET 54 2HB MET 54 -9.035 4.850 5.590
432 2HB MET 54 1HB MET 54 -9.435 5.452 3.981
433 1HG MET 54 2HG MET 54 -6.817 6.390 4.687
434 2HG MET 54 1HG MET 54 -6.886 4.648 4.953
435 1HE MET 54 1HE MET 54 -8.183 3.213 3.591
436 2HE MET 54 2HE MET 54 -7.708 2.969 1.912
437 3HE MET 54 3HE MET 54 -9.185 3.855 2.282
438 H GLU 55 H GLU 55 -11.130 5.560 5.879
439 HA GLU 55 HA GLU 55 -13.088 7.728 5.902
440 1HB GLU 55 2HB GLU 55 -14.240 6.802 3.825
441 2HB GLU 55 1HB GLU 55 -12.709 7.626 3.527
442 1HG GLU 55 2HG GLU 55 -11.908 5.759 2.568
443 2HG GLU 55 1HG GLU 55 -12.106 4.905 4.098
444 H ARG 56 H ARG 56 -15.335 6.811 6.168
445 HA ARG 56 HA ARG 56 -15.355 4.607 8.034
446 1HB ARG 56 2HB ARG 56 -17.392 6.295 6.583
447 2HB ARG 56 1HB ARG 56 -17.907 4.950 7.603
448 1HG ARG 56 2HG ARG 56 -16.013 6.279 9.158
449 2HG ARG 56 1HG ARG 56 -16.914 7.580 8.382
450 1HD ARG 56 2HD ARG 56 -18.935 5.844 9.111
451 2HD ARG 56 1HD ARG 56 -17.795 5.700 10.466
452 HE ARG 56 HE ARG 56 -18.762 8.354 9.461
453 1HH1 ARG 56 1HH1 ARG 56 -19.875 6.608 11.858
454 2HH1 ARG 56 2HH1 ARG 56 -19.230 7.521 13.182
455 1HH2 ARG 56 1HH2 ARG 56 -17.047 9.348 11.202
456 2HH2 ARG 56 2HH2 ARG 56 -17.629 9.072 12.810
Start of MODEL 16
1 1H ALA 2 1H ALA 2 10.161 -25.616 -8.633
2 2H ALA 2 2H ALA 2 8.750 -26.474 -9.040
3 3H ALA 2 3H ALA 2 10.275 -27.200 -9.233
4 HA ALA 2 HA ALA 2 8.852 -27.829 -7.179
5 1HB ALA 2 1HB ALA 2 11.116 -27.905 -5.941
6 2HB ALA 2 2HB ALA 2 11.775 -27.072 -7.350
7 3HB ALA 2 3HB ALA 2 11.051 -28.671 -7.527
8 H LYS 3 H LYS 3 8.164 -25.014 -7.523
9 HA LYS 3 HA LYS 3 9.144 -23.671 -5.067
10 1HB LYS 3 2HB LYS 3 7.890 -22.984 -7.637
11 2HB LYS 3 1HB LYS 3 7.240 -22.069 -6.277
12 1HG LYS 3 2HG LYS 3 9.356 -21.174 -5.716
13 2HG LYS 3 1HG LYS 3 10.215 -22.384 -6.672
14 1HD LYS 3 2HD LYS 3 10.289 -20.398 -7.979
15 2HD LYS 3 1HD LYS 3 9.025 -21.385 -8.714
16 1HE LYS 3 2HE LYS 3 7.287 -20.070 -7.763
17 2HE LYS 3 1HE LYS 3 8.391 -19.316 -6.594
18 1HZ LYS 3 1HZ LYS 3 9.551 -18.224 -8.338
19 2HZ LYS 3 2HZ LYS 3 7.898 -17.923 -8.593
20 3HZ LYS 3 3HZ LYS 3 8.709 -19.080 -9.536
21 H VAL 4 H VAL 4 8.103 -24.740 -3.331
22 HA VAL 4 HA VAL 4 5.162 -25.135 -3.447
23 HB VAL 4 HB VAL 4 6.634 -26.926 -2.629
24 1HG1 VAL 4 1HG1 VAL 4 7.508 -26.022 -0.134
25 2HG1 VAL 4 2HG1 VAL 4 7.845 -24.674 -1.222
26 3HG1 VAL 4 3HG1 VAL 4 8.515 -26.271 -1.562
27 1HG2 VAL 4 1HG2 VAL 4 4.967 -25.571 -0.486
28 2HG2 VAL 4 2HG2 VAL 4 5.605 -27.209 -0.344
29 3HG2 VAL 4 3HG2 VAL 4 4.436 -26.825 -1.607
30 H GLN 5 H GLN 5 4.993 -22.631 -3.476
31 HA GLN 5 HA GLN 5 5.260 -21.511 -0.709
32 1HB GLN 5 2HB GLN 5 4.987 -20.146 -3.408
33 2HB GLN 5 1HB GLN 5 5.323 -19.347 -1.873
34 1HG GLN 5 2HG GLN 5 7.210 -21.478 -2.225
35 2HG GLN 5 1HG GLN 5 7.196 -20.490 -3.685
36 1HE2 GLN 5 1HE2 GLN 5 6.670 -17.935 -2.644
37 2HE2 GLN 5 2HE2 GLN 5 7.932 -17.470 -1.608
38 H ALA 6 H ALA 6 3.492 -19.493 -0.709
39 HA ALA 6 HA ALA 6 0.888 -20.288 -1.816
40 1HB ALA 6 1HB ALA 6 1.644 -21.571 0.426
41 2HB ALA 6 2HB ALA 6 -0.037 -21.132 0.119
42 3HB ALA 6 3HB ALA 6 0.965 -20.118 1.158
43 H TYR 7 H TYR 7 1.374 -18.043 -2.633
44 HA TYR 7 HA TYR 7 1.119 -15.691 -2.527
45 1HB TYR 7 2HB TYR 7 -1.018 -17.100 -1.231
46 2HB TYR 7 1HB TYR 7 -0.738 -15.589 -0.363
47 HD1 TYR 7 1HD TYR 7 -0.290 -16.412 -3.985
48 HD2 TYR 7 2HD TYR 7 -2.429 -14.111 -1.057
49 HE1 TYR 7 1HE TYR 7 -1.424 -15.157 -5.800
50 HE2 TYR 7 2HE TYR 7 -3.562 -12.855 -2.870
51 HH TYR 7 HH TYR 7 -2.770 -13.454 -6.291
52 H VAL 8 H VAL 8 3.433 -16.083 -1.356
53 HA VAL 8 HA VAL 8 3.288 -14.941 1.411
54 HB VAL 8 HB VAL 8 5.489 -16.435 -0.053
55 1HG1 VAL 8 1HG1 VAL 8 5.215 -15.304 2.728
56 2HG1 VAL 8 2HG1 VAL 8 6.565 -15.150 1.603
57 3HG1 VAL 8 3HG1 VAL 8 6.267 -16.685 2.419
58 1HG2 VAL 8 1HG2 VAL 8 4.794 -18.380 1.075
59 2HG2 VAL 8 2HG2 VAL 8 3.266 -17.633 0.610
60 3HG2 VAL 8 3HG2 VAL 8 3.860 -17.470 2.262
61 H SER 9 H SER 9 3.849 -14.041 -1.771
62 HA SER 9 HA SER 9 6.135 -12.281 -1.433
63 1HB SER 9 2HB SER 9 5.532 -11.585 -3.676
64 2HB SER 9 1HB SER 9 5.257 -13.322 -3.562
65 HG SER 9 HG SER 9 3.421 -12.507 -4.430
66 H ASP 10 H ASP 10 6.106 -10.020 -1.081
67 HA ASP 10 HA ASP 10 4.114 -8.918 0.610
68 1HB ASP 10 2HB ASP 10 6.186 -7.658 -1.213
69 2HB ASP 10 1HB ASP 10 5.319 -6.781 0.048
70 H GLU 11 H GLU 11 2.138 -9.540 -0.697
71 HA GLU 11 HA GLU 11 1.513 -8.465 -3.253
72 1HB GLU 11 2HB GLU 11 0.328 -10.011 -1.235
73 2HB GLU 11 1HB GLU 11 -0.746 -8.624 -1.418
74 1HG GLU 11 2HG GLU 11 -1.573 -10.087 -3.043
75 2HG GLU 11 1HG GLU 11 -0.469 -9.086 -3.985
76 H ILE 12 H ILE 12 1.479 -6.994 -0.059
77 HA ILE 12 HA ILE 12 -0.250 -4.793 -0.501
78 HB ILE 12 HB ILE 12 1.344 -3.721 1.232
79 1HG1 ILE 12 2HG1 ILE 12 2.505 -6.396 1.708
80 2HG1 ILE 12 1HG1 ILE 12 3.117 -5.578 0.271
81 1HG2 ILE 12 1HG2 ILE 12 -0.646 -5.657 1.425
82 2HG2 ILE 12 2HG2 ILE 12 0.019 -4.720 2.764
83 3HG2 ILE 12 3HG2 ILE 12 0.672 -6.316 2.393
84 1HD1 ILE 12 1HD1 ILE 12 2.884 -3.825 2.622
85 2HD1 ILE 12 2HD1 ILE 12 4.224 -4.015 1.490
86 3HD1 ILE 12 3HD1 ILE 12 4.034 -5.146 2.830
87 H VAL 13 H VAL 13 3.082 -5.319 -1.558
88 HA VAL 13 HA VAL 13 3.991 -2.771 -2.183
89 HB VAL 13 HB VAL 13 4.092 -5.259 -3.922
90 1HG1 VAL 13 1HG1 VAL 13 4.893 -3.129 -4.982
91 2HG1 VAL 13 2HG1 VAL 13 6.168 -4.330 -4.778
92 3HG1 VAL 13 3HG1 VAL 13 6.058 -2.964 -3.669
93 1HG2 VAL 13 1HG2 VAL 13 4.943 -4.913 -1.275
94 2HG2 VAL 13 2HG2 VAL 13 6.403 -4.697 -2.239
95 3HG2 VAL 13 3HG2 VAL 13 5.464 -6.183 -2.382
96 H TYR 14 H TYR 14 1.340 -4.513 -3.658
97 HA TYR 14 HA TYR 14 1.148 -2.931 -6.077
98 1HB TYR 14 2HB TYR 14 -0.046 -5.196 -4.848
99 2HB TYR 14 1HB TYR 14 -1.351 -4.060 -5.194
100 HD1 TYR 14 1HD TYR 14 1.870 -4.819 -6.964
101 HD2 TYR 14 2HD TYR 14 -2.419 -4.704 -7.168
102 HE1 TYR 14 1HE TYR 14 1.968 -5.437 -9.364
103 HE2 TYR 14 2HE TYR 14 -2.321 -5.322 -9.568
104 HH TYR 14 HH TYR 14 0.601 -5.271 -11.360
105 H LYS 15 H LYS 15 -0.834 -2.944 -3.079
106 HA LYS 15 HA LYS 15 -2.246 -0.517 -3.811
107 1HB LYS 15 2HB LYS 15 -3.334 -0.857 -1.718
108 2HB LYS 15 1HB LYS 15 -2.956 -2.476 -2.307
109 1HG LYS 15 2HG LYS 15 -0.946 -2.543 -0.903
110 2HG LYS 15 1HG LYS 15 -1.262 -0.900 -0.346
111 1HD LYS 15 2HD LYS 15 -3.392 -2.993 -0.033
112 2HD LYS 15 1HD LYS 15 -2.053 -2.942 1.113
113 1HE LYS 15 2HE LYS 15 -2.778 -0.986 2.068
114 2HE LYS 15 1HE LYS 15 -3.329 -0.323 0.515
115 1HZ LYS 15 1HZ LYS 15 -5.039 -1.210 2.294
116 2HZ LYS 15 2HZ LYS 15 -4.688 -2.697 1.552
117 3HZ LYS 15 3HZ LYS 15 -5.309 -1.411 0.633
118 H ILE 16 H ILE 16 0.481 -1.230 -1.609
119 HA ILE 16 HA ILE 16 0.686 1.438 -0.537
120 HB ILE 16 HB ILE 16 2.872 -0.633 -0.884
121 1HG1 ILE 16 2HG1 ILE 16 0.604 -0.462 1.116
122 2HG1 ILE 16 1HG1 ILE 16 1.015 -1.819 0.071
123 1HG2 ILE 16 1HG2 ILE 16 3.647 1.514 -0.035
124 2HG2 ILE 16 2HG2 ILE 16 3.629 0.355 1.294
125 3HG2 ILE 16 3HG2 ILE 16 2.342 1.553 1.151
126 1HD1 ILE 16 1HD1 ILE 16 1.775 -2.204 2.397
127 2HD1 ILE 16 2HD1 ILE 16 2.764 -0.747 2.303
128 3HD1 ILE 16 3HD1 ILE 16 3.133 -2.131 1.274
129 H ASN 17 H ASN 17 1.417 0.168 -3.622
130 HA ASN 17 HA ASN 17 3.717 1.746 -4.330
131 1HB ASN 17 2HB ASN 17 1.831 -0.098 -5.499
132 2HB ASN 17 1HB ASN 17 2.068 1.266 -6.593
133 1HD2 ASN 17 1HD2 ASN 17 4.729 1.926 -6.258
134 2HD2 ASN 17 2HD2 ASN 17 5.727 0.608 -6.644
135 H LYS 18 H LYS 18 0.211 2.277 -4.808
136 HA LYS 18 HA LYS 18 0.563 4.878 -6.053
137 1HB LYS 18 2HB LYS 18 -1.898 4.929 -5.816
138 2HB LYS 18 1HB LYS 18 -1.358 3.363 -6.416
139 1HG LYS 18 2HG LYS 18 -1.323 3.299 -3.551
140 2HG LYS 18 1HG LYS 18 -2.896 3.893 -4.084
141 1HD LYS 18 2HD LYS 18 -1.542 1.340 -5.005
142 2HD LYS 18 1HD LYS 18 -2.948 1.451 -3.947
143 1HE LYS 18 2HE LYS 18 -4.179 2.627 -5.809
144 2HE LYS 18 1HE LYS 18 -2.797 2.275 -6.866
145 1HZ LYS 18 1HZ LYS 18 -3.008 -0.081 -6.212
146 2HZ LYS 18 2HZ LYS 18 -4.371 0.490 -7.050
147 3HZ LYS 18 3HZ LYS 18 -4.427 0.298 -5.363
148 H ILE 19 H ILE 19 0.316 3.722 -2.766
149 HA ILE 19 HA ILE 19 -0.597 6.077 -1.445
150 HB ILE 19 HB ILE 19 1.356 3.906 -0.610
151 1HG1 ILE 19 2HG1 ILE 19 -0.972 3.231 -1.383
152 2HG1 ILE 19 1HG1 ILE 19 -0.571 2.771 0.273
153 1HG2 ILE 19 1HG2 ILE 19 -0.042 6.106 0.895
154 2HG2 ILE 19 2HG2 ILE 19 1.635 5.575 1.017
155 3HG2 ILE 19 3HG2 ILE 19 0.345 4.586 1.703
156 1HD1 ILE 19 1HD1 ILE 19 -2.851 3.803 0.041
157 2HD1 ILE 19 2HD1 ILE 19 -2.070 5.300 -0.466
158 3HD1 ILE 19 3HD1 ILE 19 -1.795 4.667 1.158
159 H VAL 20 H VAL 20 2.739 4.994 -2.180
160 HA VAL 20 HA VAL 20 4.112 7.225 -1.063
161 HB VAL 20 HB VAL 20 4.653 5.259 -3.293
162 1HG1 VAL 20 1HG1 VAL 20 6.013 7.759 -2.770
163 2HG1 VAL 20 2HG1 VAL 20 6.329 6.571 -4.034
164 3HG1 VAL 20 3HG1 VAL 20 7.091 6.399 -2.454
165 1HG2 VAL 20 1HG2 VAL 20 4.571 4.561 -0.859
166 2HG2 VAL 20 2HG2 VAL 20 5.958 5.613 -0.585
167 3HG2 VAL 20 3HG2 VAL 20 6.101 4.230 -1.672
168 H GLU 21 H GLU 21 3.833 6.667 -4.572
169 HA GLU 21 HA GLU 21 4.413 9.173 -5.551
170 1HB GLU 21 2HB GLU 21 2.466 7.026 -6.334
171 2HB GLU 21 1HB GLU 21 2.518 8.516 -7.276
172 1HG GLU 21 2HG GLU 21 5.206 7.811 -6.897
173 2HG GLU 21 1HG GLU 21 4.386 6.294 -7.267
174 H ARG 22 H ARG 22 1.213 8.141 -4.334
175 HA ARG 22 HA ARG 22 -0.287 10.457 -4.865
176 1HB ARG 22 2HB ARG 22 -1.225 8.399 -3.969
177 2HB ARG 22 1HB ARG 22 -0.275 8.566 -2.491
178 1HG ARG 22 2HG ARG 22 -1.468 10.692 -1.995
179 2HG ARG 22 1HG ARG 22 -2.460 10.447 -3.432
180 1HD ARG 22 2HD ARG 22 -2.872 8.059 -2.277
181 2HD ARG 22 1HD ARG 22 -2.539 9.009 -0.816
182 HE ARG 22 HE ARG 22 -4.265 10.593 -2.351
183 1HH1 ARG 22 1HH2 ARG 22 -5.096 9.794 0.339
184 2HH1 ARG 22 2HH2 ARG 22 -6.436 8.735 0.049
185 1HH2 ARG 22 1HH1 ARG 22 -5.647 8.218 -3.288
186 2HH2 ARG 22 2HH1 ARG 22 -6.748 7.845 -2.005
187 H ARG 23 H ARG 23 1.761 9.773 -2.006
188 HA ARG 23 HA ARG 23 1.351 12.014 -0.436
189 1HB ARG 23 2HB ARG 23 3.895 10.578 -1.243
190 2HB ARG 23 1HB ARG 23 3.843 11.765 0.060
191 1HG ARG 23 2HG ARG 23 1.672 10.044 0.542
192 2HG ARG 23 1HG ARG 23 3.013 8.989 0.095
193 1HD ARG 23 2HD ARG 23 4.308 9.635 1.920
194 2HD ARG 23 1HD ARG 23 3.523 11.223 2.041
195 HE ARG 23 HE ARG 23 1.986 8.731 2.649
196 1HH1 ARG 23 1HH2 ARG 23 1.456 11.908 2.803
197 2HH1 ARG 23 2HH2 ARG 23 1.286 12.044 4.522
198 1HH2 ARG 23 1HH1 ARG 23 2.520 8.866 5.159
199 2HH2 ARG 23 2HH1 ARG 23 1.886 10.320 5.856
200 H ARG 24 H ARG 24 3.723 11.863 -3.132
201 HA ARG 24 HA ARG 24 4.341 14.671 -3.084
202 1HB ARG 24 2HB ARG 24 5.542 12.605 -4.133
203 2HB ARG 24 1HB ARG 24 4.474 12.879 -5.510
204 1HG ARG 24 2HG ARG 24 5.428 15.419 -4.944
205 2HG ARG 24 1HG ARG 24 6.833 14.392 -4.657
206 1HD ARG 24 2HD ARG 24 5.135 14.265 -7.175
207 2HD ARG 24 1HD ARG 24 6.668 15.148 -7.047
208 HE ARG 24 HE ARG 24 6.525 12.230 -6.403
209 1HH1 ARG 24 1HH2 ARG 24 9.075 13.858 -6.145
210 2HH1 ARG 24 2HH2 ARG 24 9.881 13.467 -7.628
211 1HH2 ARG 24 1HH1 ARG 24 7.037 12.185 -9.143
212 2HH2 ARG 24 2HH1 ARG 24 8.726 12.520 -9.325
213 H ALA 25 H ALA 25 2.266 12.784 -5.335
214 HA ALA 25 HA ALA 25 1.252 14.841 -6.915
215 1HB ALA 25 1HB ALA 25 0.779 12.266 -6.768
216 2HB ALA 25 2HB ALA 25 -0.496 13.323 -7.372
217 3HB ALA 25 3HB ALA 25 -0.547 12.743 -5.708
218 H GLU 26 H GLU 26 0.611 14.144 -3.543
219 HA GLU 26 HA GLU 26 -1.629 16.020 -3.352
220 1HB GLU 26 2HB GLU 26 -0.041 14.354 -1.384
221 2HB GLU 26 1HB GLU 26 -1.427 15.344 -0.922
222 1HG GLU 26 2HG GLU 26 -1.919 13.591 -3.239
223 2HG GLU 26 1HG GLU 26 -1.593 12.729 -1.736
224 H GLY 27 H GLY 27 1.836 16.072 -2.975
225 1HA GLY 27 2HA GLY 27 2.508 18.623 -3.051
226 2HA GLY 27 1HA GLY 27 1.704 18.643 -1.482
227 H ALA 28 H ALA 28 2.669 15.839 -0.931
228 HA ALA 28 HA ALA 28 4.874 16.306 0.685
229 1HB ALA 28 1HB ALA 28 3.381 14.175 0.022
230 2HB ALA 28 2HB ALA 28 4.936 13.998 0.836
231 3HB ALA 28 3HB ALA 28 4.825 13.782 -0.912
232 H LYS 29 H LYS 29 7.140 16.341 0.376
233 HA LYS 29 HA LYS 29 8.162 16.072 -2.417
234 1HB LYS 29 2HB LYS 29 9.408 18.250 -1.975
235 2HB LYS 29 1HB LYS 29 7.663 18.411 -2.161
236 1HG LYS 29 2HG LYS 29 8.436 17.853 0.601
237 2HG LYS 29 1HG LYS 29 9.155 19.344 -0.010
238 1HD LYS 29 2HD LYS 29 6.876 20.040 -0.810
239 2HD LYS 29 1HD LYS 29 6.212 18.621 0.002
240 1HE LYS 29 2HE LYS 29 7.714 20.913 1.317
241 2HE LYS 29 1HE LYS 29 6.000 20.505 1.526
242 1HZ LYS 29 1HZ LYS 29 6.996 19.418 3.296
243 2HZ LYS 29 2HZ LYS 29 8.380 18.997 2.406
244 3HZ LYS 29 3HZ LYS 29 6.909 18.191 2.128
245 H SER 30 H SER 30 10.764 16.979 -1.855
246 HA SER 30 HA SER 30 12.806 16.224 -0.944
247 1HB SER 30 2HB SER 30 12.796 16.244 1.373
248 2HB SER 30 1HB SER 30 11.230 16.993 1.076
249 HG SER 30 HG SER 30 10.889 15.331 2.493
250 H THR 31 H THR 31 13.883 14.173 -0.124
251 HA THR 31 HA THR 31 12.707 11.843 -1.491
252 HB THR 31 HB THR 31 15.087 11.140 -0.176
253 HG1 THR 31 1HG THR 31 15.727 13.099 0.378
254 1HG2 THR 31 1HG2 THR 31 16.060 11.608 -2.508
255 2HG2 THR 31 2HG2 THR 31 14.438 12.147 -2.945
256 3HG2 THR 31 3HG2 THR 31 14.703 10.483 -2.421
257 H ASP 32 H ASP 32 11.274 12.728 0.882
258 HA ASP 32 HA ASP 32 11.982 10.761 2.988
259 1HB ASP 32 2HB ASP 32 11.410 13.142 3.484
260 2HB ASP 32 1HB ASP 32 9.802 12.868 2.809
261 H VAL 33 H VAL 33 9.819 11.136 0.310
262 HA VAL 33 HA VAL 33 7.887 9.140 1.352
263 HB VAL 33 HB VAL 33 8.110 10.935 -1.066
264 1HG1 VAL 33 1HG1 VAL 33 5.576 9.703 -1.076
265 2HG1 VAL 33 2HG1 VAL 33 6.737 8.390 -0.880
266 3HG1 VAL 33 3HG1 VAL 33 6.865 9.483 -2.258
267 1HG2 VAL 33 1HG2 VAL 33 5.611 11.117 0.217
268 2HG2 VAL 33 2HG2 VAL 33 6.940 12.273 0.323
269 3HG2 VAL 33 3HG2 VAL 33 6.794 10.984 1.519
270 H SER 34 H SER 34 7.772 7.040 0.575
271 HA SER 34 HA SER 34 8.830 6.041 -1.861
272 1HB SER 34 2HB SER 34 11.002 6.684 -1.101
273 2HB SER 34 1HB SER 34 10.688 6.092 0.527
274 HG SER 34 HG SER 34 11.003 4.584 -1.857
275 H PHE 35 H PHE 35 8.432 3.762 -2.016
276 HA PHE 35 HA PHE 35 6.432 2.591 -0.500
277 1HB PHE 35 2HB PHE 35 7.436 1.730 -2.614
278 2HB PHE 35 1HB PHE 35 8.855 1.211 -1.703
279 HD1 PHE 35 1HD PHE 35 8.595 -1.160 -2.183
280 HD2 PHE 35 2HD PHE 35 5.432 1.071 -0.322
281 HE1 PHE 35 1HE PHE 35 7.445 -3.279 -1.592
282 HE2 PHE 35 2HE PHE 35 4.286 -1.045 0.268
283 HZ PHE 35 HZ PHE 35 5.286 -3.218 -0.367
284 H SER 36 H SER 36 9.933 1.966 0.007
285 HA SER 36 HA SER 36 9.799 0.434 2.340
286 1HB SER 36 2HB SER 36 11.691 2.215 0.977
287 2HB SER 36 1HB SER 36 11.973 2.123 2.712
288 HG SER 36 HG SER 36 13.062 0.466 1.564
289 H SER 37 H SER 37 9.479 3.947 1.982
290 HA SER 37 HA SER 37 9.402 4.447 4.866
291 1HB SER 37 2HB SER 37 8.508 6.213 2.573
292 2HB SER 37 1HB SER 37 9.079 6.725 4.158
293 HG SER 37 HG SER 37 11.033 6.599 3.419
294 H ILE 38 H ILE 38 6.992 4.563 2.210
295 HA ILE 38 HA ILE 38 4.722 5.078 3.881
296 HB ILE 38 HB ILE 38 5.170 3.866 1.148
297 1HG1 ILE 38 2HG1 ILE 38 5.618 6.283 1.465
298 2HG1 ILE 38 1HG1 ILE 38 4.224 6.023 0.414
299 1HG2 ILE 38 1HG2 ILE 38 3.084 2.937 2.194
300 2HG2 ILE 38 2HG2 ILE 38 2.774 3.931 0.771
301 3HG2 ILE 38 3HG2 ILE 38 2.497 4.589 2.384
302 1HD1 ILE 38 1HD1 ILE 38 3.152 7.455 1.810
303 2HD1 ILE 38 2HD1 ILE 38 4.354 7.253 3.085
304 3HD1 ILE 38 3HD1 ILE 38 3.055 6.073 2.902
305 H SER 39 H SER 39 6.375 2.102 2.944
306 HA SER 39 HA SER 39 4.303 0.298 3.903
307 1HB SER 39 2HB SER 39 5.782 -1.319 3.138
308 2HB SER 39 1HB SER 39 6.392 0.075 2.250
309 HG SER 39 HG SER 39 7.726 -1.419 3.899
310 H THR 40 H THR 40 7.453 1.390 5.206
311 HA THR 40 HA THR 40 7.538 -0.029 7.614
312 HB THR 40 HB THR 40 8.299 2.836 6.966
313 HG1 THR 40 1HG THR 40 10.149 1.969 6.298
314 1HG2 THR 40 1HG2 THR 40 8.671 1.157 9.394
315 2HG2 THR 40 2HG2 THR 40 8.540 2.909 9.246
316 3HG2 THR 40 3HG2 THR 40 10.060 2.102 8.859
317 H MET 41 H MET 41 6.091 3.229 7.166
318 HA MET 41 HA MET 41 4.994 3.460 9.783
319 1HB MET 41 2HB MET 41 3.569 5.187 8.674
320 2HB MET 41 1HB MET 41 5.265 5.314 8.207
321 1HG MET 41 2HG MET 41 4.238 5.425 6.126
322 2HG MET 41 1HG MET 41 4.527 3.690 6.258
323 1HE MET 41 1HE MET 41 1.791 4.323 4.195
324 2HE MET 41 2HE MET 41 2.800 5.663 4.731
325 3HE MET 41 3HE MET 41 1.068 5.695 5.045
326 H LEU 42 H LEU 42 3.790 1.838 6.890
327 HA LEU 42 HA LEU 42 1.064 1.492 7.758
328 1HB LEU 42 2HB LEU 42 2.860 0.693 5.613
329 2HB LEU 42 1HB LEU 42 1.777 -0.625 6.063
330 HG LEU 42 HG LEU 42 0.765 2.184 5.598
331 1HD1 LEU 42 1HD1 LEU 42 0.843 1.919 3.356
332 2HD1 LEU 42 2HD1 LEU 42 0.231 0.268 3.463
333 3HD1 LEU 42 3HD1 LEU 42 1.957 0.583 3.646
334 1HD2 LEU 42 1HD2 LEU 42 -0.369 -0.250 6.534
335 2HD2 LEU 42 2HD2 LEU 42 -1.012 0.023 4.915
336 3HD2 LEU 42 3HD2 LEU 42 -1.211 1.255 6.161
337 H LEU 43 H LEU 43 3.856 -0.768 7.802
338 HA LEU 43 HA LEU 43 2.445 -2.847 9.208
339 1HB LEU 43 2HB LEU 43 4.477 -3.095 7.776
340 2HB LEU 43 1HB LEU 43 5.416 -2.276 9.027
341 HG LEU 43 HG LEU 43 4.012 -4.236 10.421
342 1HD1 LEU 43 1HD1 LEU 43 4.907 -6.275 9.003
343 2HD1 LEU 43 2HD1 LEU 43 4.753 -5.147 7.656
344 3HD1 LEU 43 3HD1 LEU 43 3.339 -5.561 8.624
345 1HD2 LEU 43 1HD2 LEU 43 6.272 -5.319 10.568
346 2HD2 LEU 43 2HD2 LEU 43 6.323 -3.580 10.853
347 3HD2 LEU 43 3HD2 LEU 43 6.834 -4.233 9.297
348 H GLU 44 H GLU 44 4.758 -0.347 10.345
349 HA GLU 44 HA GLU 44 4.938 -1.127 13.050
350 1HB GLU 44 2HB GLU 44 5.564 1.202 13.420
351 2HB GLU 44 1HB GLU 44 6.190 0.706 11.849
352 1HG GLU 44 2HG GLU 44 4.534 1.896 10.676
353 2HG GLU 44 1HG GLU 44 3.483 2.011 12.087
354 H LEU 45 H LEU 45 2.330 0.276 11.258
355 HA LEU 45 HA LEU 45 0.758 0.824 13.727
356 1HB LEU 45 2HB LEU 45 0.382 2.643 12.400
357 2HB LEU 45 1HB LEU 45 0.956 1.811 10.960
358 HG LEU 45 HG LEU 45 -1.224 0.619 10.818
359 1HD1 LEU 45 1HD1 LEU 45 -2.421 2.566 12.739
360 2HD1 LEU 45 2HD1 LEU 45 -1.546 1.199 13.421
361 3HD1 LEU 45 3HD1 LEU 45 -2.922 0.921 12.353
362 1HD2 LEU 45 1HD2 LEU 45 -2.328 3.273 10.839
363 2HD2 LEU 45 2HD2 LEU 45 -1.816 2.312 9.451
364 3HD2 LEU 45 3HD2 LEU 45 -0.658 3.359 10.275
365 H GLY 46 H GLY 46 1.130 -1.475 11.148
366 1HA GLY 46 2HA GLY 46 0.100 -3.607 11.000
367 2HA GLY 46 1HA GLY 46 -0.995 -3.138 12.301
368 H LEU 47 H LEU 47 -0.724 -0.860 9.733
369 HA LEU 47 HA LEU 47 -2.327 -0.158 8.138
370 1HB LEU 47 2HB LEU 47 -1.529 -2.130 7.011
371 2HB LEU 47 1HB LEU 47 -2.463 -3.185 8.071
372 HG LEU 47 HG LEU 47 -4.524 -2.533 7.085
373 1HD1 LEU 47 1HD1 LEU 47 -3.019 -0.366 5.588
374 2HD1 LEU 47 2HD1 LEU 47 -3.974 -0.087 7.045
375 3HD1 LEU 47 3HD1 LEU 47 -4.761 -0.645 5.570
376 1HD2 LEU 47 1HD2 LEU 47 -2.683 -3.823 5.635
377 2HD2 LEU 47 2HD2 LEU 47 -2.855 -2.397 4.612
378 3HD2 LEU 47 3HD2 LEU 47 -4.259 -3.404 4.964
379 H ARG 48 H ARG 48 -3.165 -0.909 11.075
380 HA ARG 48 HA ARG 48 -5.937 -1.750 10.879
381 1HB ARG 48 2HB ARG 48 -4.656 -2.188 12.864
382 2HB ARG 48 1HB ARG 48 -4.213 -0.488 13.024
383 1HG ARG 48 2HG ARG 48 -6.143 0.017 14.086
384 2HG ARG 48 1HG ARG 48 -7.109 -0.882 12.916
385 1HD ARG 48 2HD ARG 48 -5.533 -2.145 15.190
386 2HD ARG 48 1HD ARG 48 -7.291 -1.892 15.180
387 HE ARG 48 HE ARG 48 -7.042 -3.227 12.873
388 1HH1 ARG 48 1HH2 ARG 48 -4.279 -3.794 14.433
389 2HH1 ARG 48 2HH2 ARG 48 -4.569 -5.451 14.842
390 1HH2 ARG 48 1HH1 ARG 48 -7.936 -5.340 14.026
391 2HH2 ARG 48 2HH1 ARG 48 -6.639 -6.327 14.613
392 H VAL 49 H VAL 49 -5.278 1.136 12.727
393 HA VAL 49 HA VAL 49 -7.528 2.596 12.141
394 HB VAL 49 HB VAL 49 -6.225 4.542 12.781
395 1HG1 VAL 49 1HG1 VAL 49 -4.670 2.436 14.191
396 2HG1 VAL 49 2HG1 VAL 49 -6.427 2.313 14.285
397 3HG1 VAL 49 3HG1 VAL 49 -5.613 3.771 14.852
398 1HG2 VAL 49 1HG2 VAL 49 -3.951 2.872 11.729
399 2HG2 VAL 49 2HG2 VAL 49 -3.648 4.144 12.913
400 3HG2 VAL 49 3HG2 VAL 49 -4.359 4.544 11.348
401 H TYR 50 H TYR 50 -4.651 2.322 10.087
402 HA TYR 50 HA TYR 50 -5.157 4.354 8.201
403 1HB TYR 50 2HB TYR 50 -3.124 3.017 8.276
404 2HB TYR 50 1HB TYR 50 -4.033 1.552 7.904
405 HD1 TYR 50 1HD TYR 50 -2.305 4.400 6.548
406 HD2 TYR 50 2HD TYR 50 -5.295 1.444 5.673
407 HE1 TYR 50 1HE TYR 50 -2.043 4.855 4.124
408 HE2 TYR 50 2HE TYR 50 -5.034 1.899 3.250
409 HH TYR 50 HH TYR 50 -3.882 4.449 1.972
410 H GLU 51 H GLU 51 -6.127 0.900 7.872
411 HA GLU 51 HA GLU 51 -7.792 1.292 5.600
412 1HB GLU 51 2HB GLU 51 -6.745 -0.765 7.036
413 2HB GLU 51 1HB GLU 51 -8.425 -0.836 7.556
414 1HG GLU 51 2HG GLU 51 -8.276 -0.404 4.704
415 2HG GLU 51 1HG GLU 51 -7.349 -1.834 5.155
416 H ALA 52 H ALA 52 -8.368 1.696 9.046
417 HA ALA 52 HA ALA 52 -11.264 1.672 8.923
418 1HB ALA 52 1HB ALA 52 -9.203 1.768 10.834
419 2HB ALA 52 2HB ALA 52 -10.935 1.724 11.162
420 3HB ALA 52 3HB ALA 52 -10.097 3.273 11.051
421 H GLN 53 H GLN 53 -8.886 4.345 9.179
422 HA GLN 53 HA GLN 53 -10.967 6.160 8.068
423 1HB GLN 53 2HB GLN 53 -9.618 7.898 9.404
424 2HB GLN 53 1HB GLN 53 -10.553 6.735 10.345
425 1HG GLN 53 2HG GLN 53 -8.674 5.576 11.042
426 2HG GLN 53 1HG GLN 53 -7.741 6.023 9.615
427 1HE2 GLN 53 1HE2 GLN 53 -6.674 8.120 9.608
428 2HE2 GLN 53 2HE2 GLN 53 -6.520 9.045 11.023
429 H MET 54 H MET 54 -9.394 4.793 6.247
430 HA MET 54 HA MET 54 -6.903 6.065 5.579
431 1HB MET 54 2HB MET 54 -7.214 4.839 3.471
432 2HB MET 54 1HB MET 54 -7.700 3.822 4.830
433 1HG MET 54 2HG MET 54 -10.044 4.346 4.447
434 2HG MET 54 1HG MET 54 -9.615 5.495 3.180
435 1HE MET 54 1HE MET 54 -9.635 5.010 0.868
436 2HE MET 54 2HE MET 54 -11.180 4.413 1.467
437 3HE MET 54 3HE MET 54 -10.292 3.485 0.261
438 H GLU 55 H GLU 55 -10.260 6.859 4.912
439 HA GLU 55 HA GLU 55 -11.222 8.614 3.642
440 1HB GLU 55 2HB GLU 55 -8.759 9.675 5.018
441 2HB GLU 55 1HB GLU 55 -9.770 10.748 4.051
442 1HG GLU 55 2HG GLU 55 -11.753 9.913 5.405
443 2HG GLU 55 1HG GLU 55 -10.588 9.140 6.481
444 H ARG 56 H ARG 56 -10.247 10.602 2.083
445 HA ARG 56 HA ARG 56 -8.034 9.826 0.373
446 1HB ARG 56 2HB ARG 56 -9.593 9.308 -1.591
447 2HB ARG 56 1HB ARG 56 -9.531 8.085 -0.322
448 1HG ARG 56 2HG ARG 56 -11.561 9.113 0.710
449 2HG ARG 56 1HG ARG 56 -11.653 10.224 -0.657
450 1HD ARG 56 2HD ARG 56 -11.472 7.291 -1.251
451 2HD ARG 56 1HD ARG 56 -13.026 7.946 -0.696
452 HE ARG 56 HE ARG 56 -13.129 9.297 -2.668
453 1HH1 ARG 56 1HH1 ARG 56 -10.966 6.791 -3.003
454 2HH1 ARG 56 2HH1 ARG 56 -10.055 7.497 -4.298
455 1HH2 ARG 56 1HH2 ARG 56 -11.597 10.593 -4.045
456 2HH2 ARG 56 2HH2 ARG 56 -10.413 9.651 -4.887
Start of MODEL 17
1 1H ALA 2 1H ALA 2 3.531 -17.816 -17.842
2 2H ALA 2 2H ALA 2 3.741 -19.201 -16.880
3 3H ALA 2 3H ALA 2 5.067 -18.199 -17.237
4 HA ALA 2 HA ALA 2 4.336 -16.496 -15.824
5 1HB ALA 2 1HB ALA 2 1.768 -17.570 -15.048
6 2HB ALA 2 2HB ALA 2 1.866 -17.477 -16.806
7 3HB ALA 2 3HB ALA 2 2.124 -16.031 -15.831
8 H LYS 3 H LYS 3 2.607 -19.500 -14.909
9 HA LYS 3 HA LYS 3 2.882 -20.894 -13.019
10 1HB LYS 3 2HB LYS 3 5.743 -19.913 -13.190
11 2HB LYS 3 1HB LYS 3 5.177 -21.479 -12.607
12 1HG LYS 3 2HG LYS 3 4.199 -21.811 -14.963
13 2HG LYS 3 1HG LYS 3 5.206 -20.444 -15.442
14 1HD LYS 3 2HD LYS 3 6.444 -22.699 -13.897
15 2HD LYS 3 1HD LYS 3 6.155 -22.897 -15.626
16 1HE LYS 3 2HE LYS 3 7.295 -20.467 -15.706
17 2HE LYS 3 1HE LYS 3 8.064 -21.076 -14.227
18 1HZ LYS 3 1HZ LYS 3 9.425 -22.038 -15.756
19 2HZ LYS 3 2HZ LYS 3 8.231 -22.100 -16.963
20 3HZ LYS 3 3HZ LYS 3 8.228 -23.239 -15.701
21 H VAL 4 H VAL 4 4.026 -20.777 -10.672
22 HA VAL 4 HA VAL 4 4.074 -19.652 -8.594
23 HB VAL 4 HB VAL 4 4.599 -17.220 -10.318
24 1HG1 VAL 4 1HG1 VAL 4 4.711 -16.413 -8.178
25 2HG1 VAL 4 2HG1 VAL 4 6.328 -17.116 -8.237
26 3HG1 VAL 4 3HG1 VAL 4 5.005 -18.007 -7.483
27 1HG2 VAL 4 1HG2 VAL 4 7.063 -18.291 -9.669
28 2HG2 VAL 4 2HG2 VAL 4 6.280 -18.435 -11.242
29 3HG2 VAL 4 3HG2 VAL 4 6.113 -19.726 -10.053
30 H GLN 5 H GLN 5 1.600 -20.061 -8.786
31 HA GLN 5 HA GLN 5 -0.608 -19.259 -8.505
32 1HB GLN 5 2HB GLN 5 0.947 -16.789 -7.672
33 2HB GLN 5 1HB GLN 5 -0.685 -17.220 -7.160
34 1HG GLN 5 2HG GLN 5 0.079 -19.066 -5.885
35 2HG GLN 5 1HG GLN 5 1.660 -19.056 -6.669
36 1HE2 GLN 5 1HE2 GLN 5 0.395 -18.401 -3.750
37 2HE2 GLN 5 2HE2 GLN 5 1.352 -17.085 -3.272
38 H ALA 6 H ALA 6 -2.078 -17.290 -9.157
39 HA ALA 6 HA ALA 6 -1.105 -16.154 -11.761
40 1HB ALA 6 1HB ALA 6 -2.612 -17.843 -12.376
41 2HB ALA 6 2HB ALA 6 -3.665 -16.429 -12.295
42 3HB ALA 6 3HB ALA 6 -3.629 -17.580 -10.960
43 H TYR 7 H TYR 7 -0.617 -14.158 -10.571
44 HA TYR 7 HA TYR 7 -1.159 -12.038 -9.663
45 1HB TYR 7 2HB TYR 7 -2.631 -12.659 -11.961
46 2HB TYR 7 1HB TYR 7 -3.827 -12.001 -10.845
47 HD1 TYR 7 1HD TYR 7 -4.172 -9.715 -11.031
48 HD2 TYR 7 2HD TYR 7 -0.240 -11.294 -11.735
49 HE1 TYR 7 1HE TYR 7 -3.332 -7.424 -11.475
50 HE2 TYR 7 2HE TYR 7 0.600 -9.002 -12.179
51 HH TYR 7 HH TYR 7 0.091 -6.851 -12.305
52 H VAL 8 H VAL 8 -1.388 -13.035 -7.461
53 HA VAL 8 HA VAL 8 -3.887 -12.324 -6.208
54 HB VAL 8 HB VAL 8 -4.423 -14.437 -7.526
55 1HG1 VAL 8 1HG1 VAL 8 -3.311 -16.210 -5.517
56 2HG1 VAL 8 2HG1 VAL 8 -2.033 -15.298 -6.322
57 3HG1 VAL 8 3HG1 VAL 8 -3.149 -16.279 -7.272
58 1HG2 VAL 8 1HG2 VAL 8 -5.637 -13.615 -5.433
59 2HG2 VAL 8 2HG2 VAL 8 -4.674 -14.785 -4.529
60 3HG2 VAL 8 3HG2 VAL 8 -5.791 -15.339 -5.776
61 H SER 9 H SER 9 -1.110 -11.836 -5.696
62 HA SER 9 HA SER 9 -0.583 -13.454 -3.231
63 1HB SER 9 2HB SER 9 1.354 -11.595 -4.595
64 2HB SER 9 1HB SER 9 1.695 -13.046 -3.656
65 HG SER 9 HG SER 9 1.853 -13.217 -6.023
66 H ASP 10 H ASP 10 1.138 -11.648 -1.965
67 HA ASP 10 HA ASP 10 -0.618 -9.965 -0.508
68 1HB ASP 10 2HB ASP 10 2.258 -10.519 -0.773
69 2HB ASP 10 1HB ASP 10 1.910 -8.877 -0.227
70 H GLU 11 H GLU 11 -1.766 -8.883 -2.358
71 HA GLU 11 HA GLU 11 -0.481 -7.082 -4.172
72 1HB GLU 11 2HB GLU 11 -3.154 -7.823 -3.250
73 2HB GLU 11 1HB GLU 11 -3.047 -6.112 -3.664
74 1HG GLU 11 2HG GLU 11 -2.219 -8.423 -5.444
75 2HG GLU 11 1HG GLU 11 -3.660 -7.425 -5.648
76 H ILE 12 H ILE 12 -0.880 -6.875 -0.793
77 HA ILE 12 HA ILE 12 -1.419 -4.179 -0.244
78 HB ILE 12 HB ILE 12 0.425 -6.245 0.970
79 1HG1 ILE 12 2HG1 ILE 12 -2.080 -6.530 1.025
80 2HG1 ILE 12 1HG1 ILE 12 -1.338 -6.430 2.622
81 1HG2 ILE 12 1HG2 ILE 12 0.389 -4.692 3.000
82 2HG2 ILE 12 2HG2 ILE 12 -0.158 -3.427 1.900
83 3HG2 ILE 12 3HG2 ILE 12 1.417 -4.185 1.661
84 1HD1 ILE 12 1HD1 ILE 12 -2.765 -4.745 3.078
85 2HD1 ILE 12 2HD1 ILE 12 -3.294 -4.665 1.398
86 3HD1 ILE 12 3HD1 ILE 12 -1.867 -3.769 1.916
87 H VAL 13 H VAL 13 1.754 -5.651 -1.037
88 HA VAL 13 HA VAL 13 3.468 -3.485 -0.808
89 HB VAL 13 HB VAL 13 4.671 -4.559 -2.735
90 1HG1 VAL 13 1HG1 VAL 13 3.447 -6.317 -0.596
91 2HG1 VAL 13 2HG1 VAL 13 5.027 -5.534 -0.575
92 3HG1 VAL 13 3HG1 VAL 13 4.721 -6.877 -1.678
93 1HG2 VAL 13 1HG2 VAL 13 1.970 -5.840 -3.011
94 2HG2 VAL 13 2HG2 VAL 13 3.402 -6.766 -3.456
95 3HG2 VAL 13 3HG2 VAL 13 3.053 -5.240 -4.266
96 H TYR 14 H TYR 14 1.263 -4.160 -3.532
97 HA TYR 14 HA TYR 14 2.038 -1.836 -5.079
98 1HB TYR 14 2HB TYR 14 0.809 -4.116 -5.640
99 2HB TYR 14 1HB TYR 14 -0.640 -3.178 -5.271
100 HD1 TYR 14 1HD TYR 14 -0.620 -0.713 -6.351
101 HD2 TYR 14 2HD TYR 14 1.551 -4.105 -7.845
102 HE1 TYR 14 1HE TYR 14 -0.510 0.344 -8.593
103 HE2 TYR 14 2HE TYR 14 1.662 -3.048 -10.086
104 HH TYR 14 HH TYR 14 1.459 -0.981 -11.152
105 H LYS 15 H LYS 15 -0.569 -2.515 -2.751
106 HA LYS 15 HA LYS 15 -2.116 -0.162 -3.109
107 1HB LYS 15 2HB LYS 15 -1.987 -2.410 -1.425
108 2HB LYS 15 1HB LYS 15 -1.902 -1.022 -0.340
109 1HG LYS 15 2HG LYS 15 -3.910 -0.061 -1.425
110 2HG LYS 15 1HG LYS 15 -4.007 -1.477 -2.473
111 1HD LYS 15 2HD LYS 15 -5.306 -2.393 -0.864
112 2HD LYS 15 1HD LYS 15 -3.817 -2.582 0.063
113 1HE LYS 15 2HE LYS 15 -4.557 0.100 0.457
114 2HE LYS 15 1HE LYS 15 -6.067 -0.821 0.587
115 1HZ LYS 15 1HZ LYS 15 -4.535 -2.467 1.887
116 2HZ LYS 15 2HZ LYS 15 -5.214 -1.124 2.678
117 3HZ LYS 15 3HZ LYS 15 -3.598 -1.078 2.157
118 H ILE 16 H ILE 16 0.904 -0.689 -1.349
119 HA ILE 16 HA ILE 16 0.839 1.859 0.063
120 HB ILE 16 HB ILE 16 3.167 0.028 -0.593
121 1HG1 ILE 16 2HG1 ILE 16 1.040 -0.119 1.559
122 2HG1 ILE 16 1HG1 ILE 16 1.467 -1.359 0.378
123 1HG2 ILE 16 1HG2 ILE 16 2.830 1.557 1.960
124 2HG2 ILE 16 2HG2 ILE 16 3.347 2.436 0.520
125 3HG2 ILE 16 3HG2 ILE 16 4.310 1.087 1.123
126 1HD1 ILE 16 1HD1 ILE 16 2.442 -1.936 2.542
127 2HD1 ILE 16 2HD1 ILE 16 3.223 -0.356 2.638
128 3HD1 ILE 16 3HD1 ILE 16 3.730 -1.518 1.410
129 H ASN 17 H ASN 17 2.346 0.652 -2.928
130 HA ASN 17 HA ASN 17 4.062 2.752 -3.597
131 1HB ASN 17 2HB ASN 17 2.169 1.057 -5.244
132 2HB ASN 17 1HB ASN 17 3.387 2.103 -5.974
133 1HD2 ASN 17 1HD2 ASN 17 4.683 0.328 -6.792
134 2HD2 ASN 17 2HD2 ASN 17 5.548 -0.702 -5.755
135 H LYS 18 H LYS 18 0.524 2.646 -3.859
136 HA LYS 18 HA LYS 18 0.293 5.170 -5.286
137 1HB LYS 18 2HB LYS 18 -1.676 3.548 -3.639
138 2HB LYS 18 1HB LYS 18 -2.106 4.826 -4.776
139 1HG LYS 18 2HG LYS 18 -1.779 3.493 -6.588
140 2HG LYS 18 1HG LYS 18 -0.333 2.753 -5.897
141 1HD LYS 18 2HD LYS 18 -1.583 1.180 -4.659
142 2HD LYS 18 1HD LYS 18 -3.074 2.109 -4.820
143 1HE LYS 18 2HE LYS 18 -1.738 1.117 -7.319
144 2HE LYS 18 1HE LYS 18 -2.690 -0.022 -6.346
145 1HZ LYS 18 1HZ LYS 18 -4.533 1.517 -6.366
146 2HZ LYS 18 2HZ LYS 18 -4.072 1.173 -7.964
147 3HZ LYS 18 3HZ LYS 18 -3.631 2.649 -7.249
148 H ILE 19 H ILE 19 0.624 4.250 -1.933
149 HA ILE 19 HA ILE 19 -0.550 6.606 -0.742
150 HB ILE 19 HB ILE 19 1.586 4.674 0.226
151 1HG1 ILE 19 2HG1 ILE 19 -0.610 3.666 -0.506
152 2HG1 ILE 19 1HG1 ILE 19 -0.250 3.429 1.204
153 1HG2 ILE 19 1HG2 ILE 19 1.651 5.927 2.093
154 2HG2 ILE 19 2HG2 ILE 19 -0.081 5.672 2.311
155 3HG2 ILE 19 3HG2 ILE 19 0.497 7.060 1.388
156 1HD1 ILE 19 1HD1 ILE 19 -2.604 4.470 0.233
157 2HD1 ILE 19 2HD1 ILE 19 -1.694 5.928 0.629
158 3HD1 ILE 19 3HD1 ILE 19 -1.997 4.713 1.872
159 H VAL 20 H VAL 20 2.867 5.688 -1.351
160 HA VAL 20 HA VAL 20 4.015 8.171 -0.510
161 HB VAL 20 HB VAL 20 5.024 6.257 -2.631
162 1HG1 VAL 20 1HG1 VAL 20 6.385 8.037 -0.590
163 2HG1 VAL 20 2HG1 VAL 20 6.402 8.240 -2.343
164 3HG1 VAL 20 3HG1 VAL 20 7.226 6.867 -1.606
165 1HG2 VAL 20 1HG2 VAL 20 4.725 4.669 -1.029
166 2HG2 VAL 20 2HG2 VAL 20 4.497 5.867 0.245
167 3HG2 VAL 20 3HG2 VAL 20 6.125 5.421 -0.264
168 H GLU 21 H GLU 21 3.071 6.994 -3.751
169 HA GLU 21 HA GLU 21 3.904 9.267 -5.241
170 1HB GLU 21 2HB GLU 21 2.730 6.797 -5.673
171 2HB GLU 21 1HB GLU 21 1.461 7.923 -6.157
172 1HG GLU 21 2HG GLU 21 4.298 8.309 -7.093
173 2HG GLU 21 1HG GLU 21 3.208 7.214 -7.944
174 H ARG 22 H ARG 22 0.877 8.600 -3.500
175 HA ARG 22 HA ARG 22 -0.866 10.542 -4.407
176 1HB ARG 22 2HB ARG 22 -0.297 9.118 -1.932
177 2HB ARG 22 1HB ARG 22 -0.977 10.713 -1.607
178 1HG ARG 22 2HG ARG 22 -2.705 10.092 -3.458
179 2HG ARG 22 1HG ARG 22 -2.180 8.433 -3.162
180 1HD ARG 22 2HD ARG 22 -2.805 8.587 -0.816
181 2HD ARG 22 1HD ARG 22 -3.177 10.312 -0.992
182 HE ARG 22 HE ARG 22 -4.783 9.314 -2.900
183 1HH1 ARG 22 1HH2 ARG 22 -4.471 6.571 -1.667
184 2HH1 ARG 22 2HH2 ARG 22 -5.839 6.508 -0.608
185 1HH2 ARG 22 1HH1 ARG 22 -6.399 9.929 -0.697
186 2HH2 ARG 22 2HH1 ARG 22 -6.932 8.410 -0.059
187 H ARG 23 H ARG 23 1.762 11.105 -2.033
188 HA ARG 23 HA ARG 23 1.440 13.789 -1.440
189 1HB ARG 23 2HB ARG 23 3.447 11.835 -1.329
190 2HB ARG 23 1HB ARG 23 4.185 13.175 -2.205
191 1HG ARG 23 2HG ARG 23 4.623 13.782 0.003
192 2HG ARG 23 1HG ARG 23 3.110 14.637 -0.298
193 1HD ARG 23 2HD ARG 23 2.651 13.557 1.740
194 2HD ARG 23 1HD ARG 23 2.019 12.381 0.571
195 HE ARG 23 HE ARG 23 4.591 11.567 0.732
196 1HH1 ARG 23 1HH2 ARG 23 1.943 11.134 2.640
197 2HH1 ARG 23 2HH2 ARG 23 2.797 10.750 4.098
198 1HH2 ARG 23 1HH1 ARG 23 5.893 11.676 2.839
199 2HH2 ARG 23 2HH1 ARG 23 5.035 11.057 4.211
200 H ARG 24 H ARG 24 3.049 12.486 -4.367
201 HA ARG 24 HA ARG 24 3.424 15.102 -5.572
202 1HB ARG 24 2HB ARG 24 3.393 12.342 -6.832
203 2HB ARG 24 1HB ARG 24 4.205 13.775 -7.460
204 1HG ARG 24 2HG ARG 24 6.008 13.421 -6.155
205 2HG ARG 24 1HG ARG 24 5.003 13.237 -4.717
206 1HD ARG 24 2HD ARG 24 5.438 11.015 -4.756
207 2HD ARG 24 1HD ARG 24 4.602 10.909 -6.317
208 HE ARG 24 HE ARG 24 7.445 11.812 -6.239
209 1HH1 ARG 24 1HH1 ARG 24 5.443 11.071 -8.589
210 2HH1 ARG 24 2HH1 ARG 24 6.208 9.619 -9.145
211 1HH2 ARG 24 1HH2 ARG 24 8.243 9.308 -6.354
212 2HH2 ARG 24 2HH2 ARG 24 7.795 8.622 -7.880
213 H ALA 25 H ALA 25 1.141 12.415 -6.146
214 HA ALA 25 HA ALA 25 -0.342 13.613 -8.250
215 1HB ALA 25 1HB ALA 25 -2.044 12.104 -6.508
216 2HB ALA 25 2HB ALA 25 -0.446 11.356 -6.494
217 3HB ALA 25 3HB ALA 25 -1.303 11.581 -8.019
218 H GLU 26 H GLU 26 -0.115 14.493 -4.930
219 HA GLU 26 HA GLU 26 -2.538 16.197 -5.211
220 1HB GLU 26 2HB GLU 26 -3.000 15.790 -2.917
221 2HB GLU 26 1HB GLU 26 -2.505 14.223 -3.556
222 1HG GLU 26 2HG GLU 26 -1.005 14.192 -1.860
223 2HG GLU 26 1HG GLU 26 -0.097 15.364 -2.816
224 H GLY 27 H GLY 27 0.813 16.302 -5.106
225 1HA GLY 27 2HA GLY 27 1.408 18.874 -5.250
226 2HA GLY 27 1HA GLY 27 0.870 18.857 -3.571
227 H ALA 28 H ALA 28 3.031 16.937 -5.674
228 HA ALA 28 HA ALA 28 4.686 15.713 -3.849
229 1HB ALA 28 1HB ALA 28 6.075 15.467 -5.667
230 2HB ALA 28 2HB ALA 28 6.034 17.186 -6.056
231 3HB ALA 28 3HB ALA 28 4.686 16.146 -6.516
232 H LYS 29 H LYS 29 6.290 16.323 -2.418
233 HA LYS 29 HA LYS 29 7.739 18.798 -2.458
234 1HB LYS 29 2HB LYS 29 5.276 19.449 -1.954
235 2HB LYS 29 1HB LYS 29 5.551 18.717 -0.373
236 1HG LYS 29 2HG LYS 29 7.716 20.518 -1.172
237 2HG LYS 29 1HG LYS 29 6.157 21.335 -1.059
238 1HD LYS 29 2HD LYS 29 6.046 19.844 1.193
239 2HD LYS 29 1HD LYS 29 7.790 20.074 1.076
240 1HE LYS 29 2HE LYS 29 7.305 22.571 0.748
241 2HE LYS 29 1HE LYS 29 5.647 22.205 1.268
242 1HZ LYS 29 1HZ LYS 29 8.159 21.964 2.776
243 2HZ LYS 29 2HZ LYS 29 6.888 20.895 3.128
244 3HZ LYS 29 3HZ LYS 29 6.659 22.571 3.281
245 H SER 30 H SER 30 6.114 16.874 0.088
246 HA SER 30 HA SER 30 8.796 16.356 1.305
247 1HB SER 30 2HB SER 30 7.410 15.901 3.338
248 2HB SER 30 1HB SER 30 7.138 17.519 2.697
249 HG SER 30 HG SER 30 5.126 16.931 2.605
250 H THR 31 H THR 31 7.942 14.886 -0.990
251 HA THR 31 HA THR 31 7.091 12.234 0.084
252 HB THR 31 HB THR 31 5.981 13.434 -1.878
253 HG1 THR 31 1HG THR 31 5.926 11.130 -1.502
254 1HG2 THR 31 1HG2 THR 31 7.922 14.341 -2.978
255 2HG2 THR 31 2HG2 THR 31 7.206 13.148 -4.063
256 3HG2 THR 31 3HG2 THR 31 8.646 12.740 -3.131
257 H ASP 32 H ASP 32 9.912 13.728 -0.065
258 HA ASP 32 HA ASP 32 11.727 12.407 -1.703
259 1HB ASP 32 2HB ASP 32 12.302 14.204 -0.161
260 2HB ASP 32 1HB ASP 32 11.915 13.184 1.225
261 H VAL 33 H VAL 33 9.911 11.103 0.983
262 HA VAL 33 HA VAL 33 11.462 8.830 1.675
263 HB VAL 33 HB VAL 33 9.365 8.002 2.554
264 1HG1 VAL 33 1HG1 VAL 33 8.919 10.968 2.632
265 2HG1 VAL 33 2HG1 VAL 33 10.402 10.308 3.323
266 3HG1 VAL 33 3HG1 VAL 33 8.833 9.793 3.944
267 1HG2 VAL 33 1HG2 VAL 33 7.219 9.159 1.853
268 2HG2 VAL 33 2HG2 VAL 33 7.958 8.157 0.605
269 3HG2 VAL 33 3HG2 VAL 33 8.136 9.910 0.547
270 H SER 34 H SER 34 9.701 6.662 1.091
271 HA SER 34 HA SER 34 9.304 6.400 -1.783
272 1HB SER 34 2HB SER 34 11.881 6.330 -1.132
273 2HB SER 34 1HB SER 34 11.496 4.667 -0.695
274 HG SER 34 HG SER 34 11.569 4.252 -2.743
275 H PHE 35 H PHE 35 9.684 3.579 -1.915
276 HA PHE 35 HA PHE 35 7.272 2.624 -0.677
277 1HB PHE 35 2HB PHE 35 8.492 1.840 -2.786
278 2HB PHE 35 1HB PHE 35 9.605 0.995 -1.714
279 HD1 PHE 35 1HD PHE 35 6.672 0.962 0.083
280 HD2 PHE 35 2HD PHE 35 8.353 -0.764 -3.475
281 HE1 PHE 35 1HE PHE 35 5.076 -0.929 0.245
282 HE2 PHE 35 2HE PHE 35 6.756 -2.654 -3.311
283 HZ PHE 35 HZ PHE 35 5.118 -2.736 -1.452
284 H SER 36 H SER 36 10.557 1.301 -0.141
285 HA SER 36 HA SER 36 10.122 -0.086 2.222
286 1HB SER 36 2HB SER 36 12.324 1.106 0.769
287 2HB SER 36 1HB SER 36 12.610 1.224 2.504
288 HG SER 36 HG SER 36 12.538 -0.973 0.854
289 H SER 37 H SER 37 10.519 3.412 1.829
290 HA SER 37 HA SER 37 10.702 4.012 4.661
291 1HB SER 37 2HB SER 37 10.674 5.349 2.082
292 2HB SER 37 1HB SER 37 9.698 6.232 3.253
293 HG SER 37 HG SER 37 11.606 5.870 4.689
294 H ILE 38 H ILE 38 8.067 4.763 2.341
295 HA ILE 38 HA ILE 38 6.101 5.232 4.389
296 HB ILE 38 HB ILE 38 6.039 4.631 1.424
297 1HG1 ILE 38 2HG1 ILE 38 7.010 6.799 2.288
298 2HG1 ILE 38 1HG1 ILE 38 5.620 7.006 1.220
299 1HG2 ILE 38 1HG2 ILE 38 3.628 5.818 1.997
300 2HG2 ILE 38 2HG2 ILE 38 3.838 4.739 3.377
301 3HG2 ILE 38 3HG2 ILE 38 3.858 4.088 1.737
302 1HD1 ILE 38 1HD1 ILE 38 5.858 8.130 3.723
303 2HD1 ILE 38 2HD1 ILE 38 4.892 6.692 4.051
304 3HD1 ILE 38 3HD1 ILE 38 4.336 7.878 2.872
305 H SER 39 H SER 39 7.501 2.345 3.292
306 HA SER 39 HA SER 39 5.228 0.566 3.365
307 1HB SER 39 2HB SER 39 8.134 0.498 3.104
308 2HB SER 39 1HB SER 39 7.534 -0.862 4.050
309 HG SER 39 HG SER 39 6.477 -1.594 2.347
310 H THR 40 H THR 40 7.949 0.624 5.687
311 HA THR 40 HA THR 40 6.865 -0.780 7.794
312 HB THR 40 HB THR 40 8.313 1.846 8.181
313 HG1 THR 40 1HG THR 40 9.554 1.029 6.661
314 1HG2 THR 40 1HG2 THR 40 8.375 -0.858 9.541
315 2HG2 THR 40 2HG2 THR 40 7.823 0.670 10.226
316 3HG2 THR 40 3HG2 THR 40 9.533 0.429 9.876
317 H MET 41 H MET 41 6.011 2.499 6.808
318 HA MET 41 HA MET 41 4.674 3.517 9.032
319 1HB MET 41 2HB MET 41 4.953 4.090 6.346
320 2HB MET 41 1HB MET 41 3.221 3.786 6.487
321 1HG MET 41 2HG MET 41 4.335 5.430 8.663
322 2HG MET 41 1HG MET 41 4.428 6.180 7.070
323 1HE MET 41 1HE MET 41 0.941 6.175 5.708
324 2HE MET 41 2HE MET 41 1.545 4.523 5.825
325 3HE MET 41 3HE MET 41 2.648 5.829 5.399
326 H LEU 42 H LEU 42 2.968 1.762 6.409
327 HA LEU 42 HA LEU 42 0.532 1.351 7.752
328 1HB LEU 42 2HB LEU 42 2.037 0.225 5.485
329 2HB LEU 42 1HB LEU 42 0.864 -0.893 6.183
330 HG LEU 42 HG LEU 42 -0.577 1.439 6.118
331 1HD1 LEU 42 1HD1 LEU 42 0.913 2.779 4.886
332 2HD1 LEU 42 2HD1 LEU 42 -0.170 2.150 3.644
333 3HD1 LEU 42 3HD1 LEU 42 1.427 1.432 3.867
334 1HD2 LEU 42 1HD2 LEU 42 -1.315 0.366 3.771
335 2HD2 LEU 42 2HD2 LEU 42 -1.705 -0.404 5.308
336 3HD2 LEU 42 3HD2 LEU 42 -0.323 -0.965 4.366
337 H LEU 43 H LEU 43 3.228 -1.017 7.503
338 HA LEU 43 HA LEU 43 2.182 -2.986 9.220
339 1HB LEU 43 2HB LEU 43 4.192 -3.222 7.821
340 2HB LEU 43 1HB LEU 43 5.044 -2.055 8.836
341 HG LEU 43 HG LEU 43 4.117 -3.830 10.706
342 1HD1 LEU 43 1HD1 LEU 43 3.464 -5.705 9.612
343 2HD1 LEU 43 2HD1 LEU 43 5.182 -5.974 9.316
344 3HD1 LEU 43 3HD1 LEU 43 4.191 -5.173 8.096
345 1HD2 LEU 43 1HD2 LEU 43 6.558 -2.909 9.742
346 2HD2 LEU 43 2HD2 LEU 43 6.688 -4.659 9.569
347 3HD2 LEU 43 3HD2 LEU 43 6.338 -3.953 11.147
348 H GLU 44 H GLU 44 4.002 -0.033 10.044
349 HA GLU 44 HA GLU 44 4.331 -0.558 12.839
350 1HB GLU 44 2HB GLU 44 4.132 1.902 11.093
351 2HB GLU 44 1HB GLU 44 4.360 2.049 12.835
352 1HG GLU 44 2HG GLU 44 6.152 0.416 11.017
353 2HG GLU 44 1HG GLU 44 6.515 2.055 11.553
354 H LEU 45 H LEU 45 1.613 0.296 10.906
355 HA LEU 45 HA LEU 45 -0.020 1.107 13.260
356 1HB LEU 45 2HB LEU 45 -0.030 1.425 10.299
357 2HB LEU 45 1HB LEU 45 -1.606 1.366 11.087
358 HG LEU 45 HG LEU 45 -0.366 3.064 12.766
359 1HD1 LEU 45 1HD1 LEU 45 1.064 3.239 10.116
360 2HD1 LEU 45 2HD1 LEU 45 1.750 3.235 11.740
361 3HD1 LEU 45 3HD1 LEU 45 0.898 4.660 11.147
362 1HD2 LEU 45 1HD2 LEU 45 -1.199 4.848 10.896
363 2HD2 LEU 45 2HD2 LEU 45 -2.308 3.947 11.931
364 3HD2 LEU 45 3HD2 LEU 45 -1.978 3.384 10.293
365 H GLY 46 H GLY 46 0.787 -1.673 11.524
366 1HA GLY 46 2HA GLY 46 -0.100 -3.854 11.712
367 2HA GLY 46 1HA GLY 46 -1.361 -3.207 12.762
368 H LEU 47 H LEU 47 -1.178 -1.354 9.980
369 HA LEU 47 HA LEU 47 -2.379 -1.320 7.942
370 1HB LEU 47 2HB LEU 47 -3.352 -4.097 8.652
371 2HB LEU 47 1HB LEU 47 -3.188 -3.380 7.055
372 HG LEU 47 HG LEU 47 -0.689 -3.475 8.648
373 1HD1 LEU 47 1HD1 LEU 47 -2.047 -5.693 9.008
374 2HD1 LEU 47 2HD1 LEU 47 -0.343 -5.782 8.557
375 3HD1 LEU 47 3HD1 LEU 47 -1.594 -6.020 7.335
376 1HD2 LEU 47 1HD2 LEU 47 -1.532 -3.186 5.952
377 2HD2 LEU 47 2HD2 LEU 47 -0.615 -4.690 6.040
378 3HD2 LEU 47 3HD2 LEU 47 0.120 -3.176 6.568
379 H ARG 48 H ARG 48 -3.774 -1.986 11.029
380 HA ARG 48 HA ARG 48 -6.566 -1.770 10.250
381 1HB ARG 48 2HB ARG 48 -5.048 -1.475 12.862
382 2HB ARG 48 1HB ARG 48 -6.808 -1.494 12.752
383 1HG ARG 48 2HG ARG 48 -6.864 -3.732 12.027
384 2HG ARG 48 1HG ARG 48 -5.172 -3.710 11.531
385 1HD ARG 48 2HD ARG 48 -6.143 -3.532 14.408
386 2HD ARG 48 1HD ARG 48 -5.439 -4.972 13.646
387 HE ARG 48 HE ARG 48 -3.517 -3.149 13.109
388 1HH1 ARG 48 1HH2 ARG 48 -4.688 -1.453 15.333
389 2HH1 ARG 48 2HH2 ARG 48 -3.728 -1.951 16.686
390 1HH2 ARG 48 1HH1 ARG 48 -2.540 -4.811 15.126
391 2HH2 ARG 48 2HH1 ARG 48 -2.510 -3.853 16.568
392 H VAL 49 H VAL 49 -4.955 0.418 12.540
393 HA VAL 49 HA VAL 49 -6.526 2.671 12.188
394 HB VAL 49 HB VAL 49 -3.507 2.615 12.486
395 1HG1 VAL 49 1HG1 VAL 49 -3.653 4.773 13.195
396 2HG1 VAL 49 2HG1 VAL 49 -5.174 4.491 14.042
397 3HG1 VAL 49 3HG1 VAL 49 -5.174 4.777 12.302
398 1HG2 VAL 49 1HG2 VAL 49 -5.560 1.426 14.102
399 2HG2 VAL 49 2HG2 VAL 49 -4.858 2.779 14.988
400 3HG2 VAL 49 3HG2 VAL 49 -3.824 1.476 14.403
401 H TYR 50 H TYR 50 -3.818 1.616 10.142
402 HA TYR 50 HA TYR 50 -3.340 3.786 8.500
403 1HB TYR 50 2HB TYR 50 -2.164 1.765 8.122
404 2HB TYR 50 1HB TYR 50 -3.652 0.828 7.973
405 HD1 TYR 50 1HD TYR 50 -3.956 0.033 5.807
406 HD2 TYR 50 2HD TYR 50 -2.366 3.980 6.384
407 HE1 TYR 50 1HE TYR 50 -3.934 0.383 3.351
408 HE2 TYR 50 2HE TYR 50 -2.342 4.330 3.928
409 HH TYR 50 HH TYR 50 -3.337 1.737 1.695
410 H GLU 51 H GLU 51 -5.893 1.346 7.791
411 HA GLU 51 HA GLU 51 -7.122 2.779 5.697
412 1HB GLU 51 2HB GLU 51 -7.318 0.388 7.242
413 2HB GLU 51 1HB GLU 51 -8.909 1.112 7.159
414 1HG GLU 51 2HG GLU 51 -8.640 -0.333 5.246
415 2HG GLU 51 1HG GLU 51 -8.603 1.335 4.682
416 H ALA 52 H ALA 52 -7.523 2.908 9.208
417 HA ALA 52 HA ALA 52 -10.028 4.301 9.293
418 1HB ALA 52 1HB ALA 52 -7.982 4.872 11.357
419 2HB ALA 52 2HB ALA 52 -8.285 3.159 11.058
420 3HB ALA 52 3HB ALA 52 -9.609 4.218 11.543
421 H GLN 53 H GLN 53 -6.741 5.368 8.680
422 HA GLN 53 HA GLN 53 -6.837 8.097 9.318
423 1HB GLN 53 2HB GLN 53 -5.607 6.580 7.000
424 2HB GLN 53 1HB GLN 53 -5.232 8.268 7.350
425 1HG GLN 53 2HG GLN 53 -4.986 6.138 9.473
426 2HG GLN 53 1HG GLN 53 -3.665 6.472 8.352
427 1HE2 GLN 53 1HE2 GLN 53 -2.369 7.312 10.192
428 2HE2 GLN 53 2HE2 GLN 53 -2.689 8.854 10.827
429 H MET 54 H MET 54 -7.933 6.534 6.284
430 HA MET 54 HA MET 54 -9.327 7.369 4.564
431 1HB MET 54 2HB MET 54 -10.371 8.213 7.220
432 2HB MET 54 1HB MET 54 -11.096 8.989 5.812
433 1HG MET 54 2HG MET 54 -11.207 6.523 4.882
434 2HG MET 54 1HG MET 54 -11.110 6.093 6.590
435 1HE MET 54 1HE MET 54 -13.123 5.911 4.103
436 2HE MET 54 2HE MET 54 -13.471 7.599 3.739
437 3HE MET 54 3HE MET 54 -14.730 6.577 4.424
438 H GLU 55 H GLU 55 -6.848 8.929 5.291
439 HA GLU 55 HA GLU 55 -7.480 11.757 5.069
440 1HB GLU 55 2HB GLU 55 -5.044 11.945 4.884
441 2HB GLU 55 1HB GLU 55 -5.443 10.752 6.120
442 1HG GLU 55 2HG GLU 55 -4.941 8.929 4.674
443 2HG GLU 55 1HG GLU 55 -4.926 9.968 3.248
444 H ARG 56 H ARG 56 -6.683 13.072 3.169
445 HA ARG 56 HA ARG 56 -7.357 11.679 0.610
446 1HB ARG 56 2HB ARG 56 -8.782 13.534 1.086
447 2HB ARG 56 1HB ARG 56 -7.424 14.539 1.595
448 1HG ARG 56 2HG ARG 56 -7.315 13.469 -1.179
449 2HG ARG 56 1HG ARG 56 -8.514 14.723 -0.862
450 1HD ARG 56 2HD ARG 56 -6.366 15.808 0.404
451 2HD ARG 56 1HD ARG 56 -5.555 14.924 -0.903
452 HE ARG 56 HE ARG 56 -7.758 16.901 -1.363
453 1HH1 ARG 56 1HH2 ARG 56 -6.947 14.792 -3.468
454 2HH1 ARG 56 2HH2 ARG 56 -5.909 15.741 -4.479
455 1HH2 ARG 56 1HH1 ARG 56 -5.553 18.297 -2.163
456 2HH2 ARG 56 2HH1 ARG 56 -5.119 17.728 -3.740
Start of MODEL 18
1 1H ALA 2 1H ALA 2 -12.884 -18.328 -6.343
2 2H ALA 2 2H ALA 2 -12.903 -18.230 -4.647
3 3H ALA 2 3H ALA 2 -11.466 -18.627 -5.461
4 HA ALA 2 HA ALA 2 -11.429 -16.408 -6.484
5 1HB ALA 2 1HB ALA 2 -14.085 -16.535 -5.999
6 2HB ALA 2 2HB ALA 2 -13.242 -15.005 -6.240
7 3HB ALA 2 3HB ALA 2 -13.588 -15.573 -4.607
8 H LYS 3 H LYS 3 -10.047 -14.954 -5.415
9 HA LYS 3 HA LYS 3 -8.721 -14.086 -3.657
10 1HB LYS 3 2HB LYS 3 -11.389 -14.426 -2.736
11 2HB LYS 3 1HB LYS 3 -10.329 -14.974 -1.437
12 1HG LYS 3 2HG LYS 3 -9.099 -12.869 -1.494
13 2HG LYS 3 1HG LYS 3 -10.043 -12.322 -2.880
14 1HD LYS 3 2HD LYS 3 -12.091 -12.357 -1.539
15 2HD LYS 3 1HD LYS 3 -11.198 -12.989 -0.156
16 1HE LYS 3 2HE LYS 3 -10.495 -10.355 -1.487
17 2HE LYS 3 1HE LYS 3 -11.589 -10.475 -0.096
18 1HZ LYS 3 1HZ LYS 3 -8.721 -11.006 -0.249
19 2HZ LYS 3 2HZ LYS 3 -9.641 -12.028 0.750
20 3HZ LYS 3 3HZ LYS 3 -9.632 -10.350 1.022
21 H VAL 4 H VAL 4 -6.861 -15.193 -3.205
22 HA VAL 4 HA VAL 4 -7.069 -17.993 -2.170
23 HB VAL 4 HB VAL 4 -4.829 -18.232 -3.101
24 1HG1 VAL 4 1HG1 VAL 4 -5.501 -17.020 -5.476
25 2HG1 VAL 4 2HG1 VAL 4 -7.072 -17.170 -4.687
26 3HG1 VAL 4 3HG1 VAL 4 -6.081 -18.604 -4.959
27 1HG2 VAL 4 1HG2 VAL 4 -4.153 -15.871 -2.423
28 2HG2 VAL 4 2HG2 VAL 4 -4.981 -15.308 -3.876
29 3HG2 VAL 4 3HG2 VAL 4 -3.591 -16.387 -4.013
30 H GLN 5 H GLN 5 -6.716 -14.924 -0.994
31 HA GLN 5 HA GLN 5 -5.823 -14.051 1.012
32 1HB GLN 5 2HB GLN 5 -5.670 -17.007 1.683
33 2HB GLN 5 1HB GLN 5 -5.804 -15.671 2.829
34 1HG GLN 5 2HG GLN 5 -7.962 -15.131 1.328
35 2HG GLN 5 1HG GLN 5 -7.887 -16.873 1.069
36 1HE2 GLN 5 1HE2 GLN 5 -7.093 -17.902 3.484
37 2HE2 GLN 5 2HE2 GLN 5 -8.174 -17.469 4.717
38 H ALA 6 H ALA 6 -3.779 -14.029 2.348
39 HA ALA 6 HA ALA 6 -1.483 -15.617 1.649
40 1HB ALA 6 1HB ALA 6 -0.843 -13.015 0.577
41 2HB ALA 6 2HB ALA 6 -2.286 -13.646 -0.218
42 3HB ALA 6 3HB ALA 6 -0.791 -14.582 -0.232
43 H TYR 7 H TYR 7 -2.342 -14.911 4.112
44 HA TYR 7 HA TYR 7 -1.699 -13.852 6.124
45 1HB TYR 7 2HB TYR 7 0.763 -13.741 4.368
46 2HB TYR 7 1HB TYR 7 0.788 -13.268 6.065
47 HD1 TYR 7 1HD TYR 7 0.784 -14.893 7.812
48 HD2 TYR 7 2HD TYR 7 0.082 -16.088 3.746
49 HE1 TYR 7 1HE TYR 7 0.988 -17.274 8.475
50 HE2 TYR 7 2HE TYR 7 0.285 -18.469 4.410
51 HH TYR 7 HH TYR 7 1.493 -19.734 6.363
52 H VAL 8 H VAL 8 -2.889 -11.952 6.332
53 HA VAL 8 HA VAL 8 -3.268 -9.621 6.365
54 HB VAL 8 HB VAL 8 -0.453 -9.433 5.268
55 1HG1 VAL 8 1HG1 VAL 8 -2.404 -7.609 6.419
56 2HG1 VAL 8 2HG1 VAL 8 -0.875 -7.245 5.619
57 3HG1 VAL 8 3HG1 VAL 8 -0.904 -7.608 7.344
58 1HG2 VAL 8 1HG2 VAL 8 -1.320 -9.904 8.139
59 2HG2 VAL 8 2HG2 VAL 8 0.333 -9.617 7.596
60 3HG2 VAL 8 3HG2 VAL 8 -0.512 -11.089 7.114
61 H SER 9 H SER 9 -1.042 -9.920 3.571
62 HA SER 9 HA SER 9 -3.142 -9.719 1.584
63 1HB SER 9 2HB SER 9 -2.067 -7.316 2.887
64 2HB SER 9 1HB SER 9 -1.969 -7.251 1.130
65 HG SER 9 HG SER 9 -4.242 -7.977 1.215
66 H ASP 10 H ASP 10 -2.240 -10.492 -0.291
67 HA ASP 10 HA ASP 10 0.590 -11.044 -0.465
68 1HB ASP 10 2HB ASP 10 -1.394 -12.348 -1.405
69 2HB ASP 10 1HB ASP 10 -1.491 -11.111 -2.660
70 H GLU 11 H GLU 11 -1.428 -9.243 -2.806
71 HA GLU 11 HA GLU 11 0.821 -7.812 -3.915
72 1HB GLU 11 2HB GLU 11 -2.179 -7.753 -4.096
73 2HB GLU 11 1HB GLU 11 -1.250 -6.452 -4.841
74 1HG GLU 11 2HG GLU 11 -0.291 -7.846 -6.413
75 2HG GLU 11 1HG GLU 11 -0.376 -9.262 -5.364
76 H ILE 12 H ILE 12 1.708 -6.905 -1.848
77 HA ILE 12 HA ILE 12 0.133 -4.801 -0.502
78 HB ILE 12 HB ILE 12 2.897 -5.998 -0.209
79 1HG1 ILE 12 2HG1 ILE 12 0.801 -7.234 0.548
80 2HG1 ILE 12 1HG1 ILE 12 2.001 -6.945 1.809
81 1HG2 ILE 12 1HG2 ILE 12 3.062 -4.608 1.871
82 2HG2 ILE 12 2HG2 ILE 12 1.621 -3.733 1.354
83 3HG2 ILE 12 3HG2 ILE 12 3.097 -3.650 0.392
84 1HD1 ILE 12 1HD1 ILE 12 -0.495 -5.302 1.296
85 2HD1 ILE 12 2HD1 ILE 12 0.738 -4.905 2.493
86 3HD1 ILE 12 3HD1 ILE 12 -0.214 -6.379 2.664
87 H VAL 13 H VAL 13 2.637 -5.066 -2.946
88 HA VAL 13 HA VAL 13 3.584 -2.334 -2.803
89 HB VAL 13 HB VAL 13 4.565 -2.956 -5.015
90 1HG1 VAL 13 1HG1 VAL 13 4.852 -4.417 -2.502
91 2HG1 VAL 13 2HG1 VAL 13 6.098 -3.829 -3.604
92 3HG1 VAL 13 3HG1 VAL 13 5.330 -5.390 -3.894
93 1HG2 VAL 13 1HG2 VAL 13 2.421 -4.958 -4.824
94 2HG2 VAL 13 2HG2 VAL 13 3.981 -5.646 -5.274
95 3HG2 VAL 13 3HG2 VAL 13 3.272 -4.358 -6.248
96 H TYR 14 H TYR 14 0.901 -3.925 -4.446
97 HA TYR 14 HA TYR 14 0.352 -1.796 -6.332
98 1HB TYR 14 2HB TYR 14 -0.349 -4.298 -6.278
99 2HB TYR 14 1HB TYR 14 -1.646 -3.761 -5.207
100 HD1 TYR 14 1HD TYR 14 -3.657 -3.633 -6.382
101 HD2 TYR 14 2HD TYR 14 -0.044 -2.255 -8.251
102 HE1 TYR 14 1HE TYR 14 -4.965 -2.868 -8.344
103 HE2 TYR 14 2HE TYR 14 -1.351 -1.489 -10.214
104 HH TYR 14 HH TYR 14 -3.573 -0.890 -10.820
105 H LYS 15 H LYS 15 -1.237 -2.750 -3.259
106 HA LYS 15 HA LYS 15 -3.034 -0.523 -3.156
107 1HB LYS 15 2HB LYS 15 -2.408 -2.852 -1.706
108 2HB LYS 15 1HB LYS 15 -2.197 -1.526 -0.561
109 1HG LYS 15 2HG LYS 15 -4.446 -1.640 -0.296
110 2HG LYS 15 1HG LYS 15 -4.528 -0.819 -1.854
111 1HD LYS 15 2HD LYS 15 -5.364 -2.653 -2.870
112 2HD LYS 15 1HD LYS 15 -4.113 -3.684 -2.175
113 1HE LYS 15 2HE LYS 15 -5.381 -3.855 -0.073
114 2HE LYS 15 1HE LYS 15 -6.624 -2.768 -0.724
115 1HZ LYS 15 1HZ LYS 15 -7.507 -4.734 -1.398
116 2HZ LYS 15 2HZ LYS 15 -6.007 -5.530 -1.454
117 3HZ LYS 15 3HZ LYS 15 -6.465 -4.485 -2.713
118 H ILE 16 H ILE 16 0.067 -1.055 -1.419
119 HA ILE 16 HA ILE 16 0.192 1.500 -0.167
120 HB ILE 16 HB ILE 16 2.397 -0.338 -1.156
121 1HG1 ILE 16 2HG1 ILE 16 0.695 -1.434 0.302
122 2HG1 ILE 16 1HG1 ILE 16 2.275 -1.332 1.079
123 1HG2 ILE 16 1HG2 ILE 16 2.323 2.011 0.722
124 2HG2 ILE 16 2HG2 ILE 16 3.497 1.637 -0.539
125 3HG2 ILE 16 3HG2 ILE 16 3.502 0.724 0.968
126 1HD1 ILE 16 1HD1 ILE 16 -0.176 0.353 1.599
127 2HD1 ILE 16 2HD1 ILE 16 1.432 0.879 2.101
128 3HD1 ILE 16 3HD1 ILE 16 0.749 -0.615 2.746
129 H ASN 17 H ASN 17 1.301 0.405 -3.362
130 HA ASN 17 HA ASN 17 2.876 2.511 -4.241
131 1HB ASN 17 2HB ASN 17 1.075 0.504 -5.372
132 2HB ASN 17 1HB ASN 17 1.193 1.940 -6.387
133 1HD2 ASN 17 1HD2 ASN 17 2.354 -0.721 -6.992
134 2HD2 ASN 17 2HD2 ASN 17 4.031 -0.492 -7.113
135 H LYS 18 H LYS 18 -0.552 2.612 -3.521
136 HA LYS 18 HA LYS 18 -1.113 5.036 -5.029
137 1HB LYS 18 2HB LYS 18 -2.477 3.552 -2.762
138 2HB LYS 18 1HB LYS 18 -3.185 4.963 -3.549
139 1HG LYS 18 2HG LYS 18 -3.833 3.751 -5.336
140 2HG LYS 18 1HG LYS 18 -2.238 3.015 -5.496
141 1HD LYS 18 2HD LYS 18 -2.867 1.137 -4.391
142 2HD LYS 18 1HD LYS 18 -3.753 2.048 -3.168
143 1HE LYS 18 2HE LYS 18 -5.501 0.936 -4.274
144 2HE LYS 18 1HE LYS 18 -5.450 2.465 -5.172
145 1HZ LYS 18 1HZ LYS 18 -4.251 -0.137 -5.910
146 2HZ LYS 18 2HZ LYS 18 -3.693 1.316 -6.588
147 3HZ LYS 18 3HZ LYS 18 -5.305 0.832 -6.819
148 H ILE 19 H ILE 19 -1.047 4.512 -1.475
149 HA ILE 19 HA ILE 19 -1.005 7.183 -0.659
150 HB ILE 19 HB ILE 19 0.234 4.636 0.387
151 1HG1 ILE 19 2HG1 ILE 19 -1.547 5.310 2.214
152 2HG1 ILE 19 1HG1 ILE 19 -2.195 6.320 0.921
153 1HG2 ILE 19 1HG2 ILE 19 1.691 6.369 1.236
154 2HG2 ILE 19 2HG2 ILE 19 0.600 5.901 2.540
155 3HG2 ILE 19 3HG2 ILE 19 0.317 7.394 1.645
156 1HD1 ILE 19 1HD1 ILE 19 -2.784 4.506 -0.390
157 2HD1 ILE 19 2HD1 ILE 19 -2.988 3.798 1.212
158 3HD1 ILE 19 3HD1 ILE 19 -1.522 3.476 0.286
159 H VAL 20 H VAL 20 1.871 5.136 -1.317
160 HA VAL 20 HA VAL 20 3.877 7.071 -0.933
161 HB VAL 20 HB VAL 20 5.017 5.651 -2.833
162 1HG1 VAL 20 1HG1 VAL 20 4.111 4.869 -0.109
163 2HG1 VAL 20 2HG1 VAL 20 5.746 5.098 -0.732
164 3HG1 VAL 20 3HG1 VAL 20 4.855 3.624 -1.115
165 1HG2 VAL 20 1HG2 VAL 20 3.742 4.140 -3.898
166 2HG2 VAL 20 2HG2 VAL 20 2.325 4.749 -3.049
167 3HG2 VAL 20 3HG2 VAL 20 3.265 3.429 -2.357
168 H GLU 21 H GLU 21 2.688 6.150 -4.178
169 HA GLU 21 HA GLU 21 3.769 8.276 -5.634
170 1HB GLU 21 2HB GLU 21 2.392 6.146 -6.279
171 2HB GLU 21 1HB GLU 21 0.999 7.223 -6.164
172 1HG GLU 21 2HG GLU 21 1.584 7.474 -8.407
173 2HG GLU 21 1HG GLU 21 2.467 8.810 -7.668
174 H ARG 22 H ARG 22 0.616 8.189 -3.944
175 HA ARG 22 HA ARG 22 -0.487 10.629 -4.707
176 1HB ARG 22 2HB ARG 22 -1.512 8.965 -3.198
177 2HB ARG 22 1HB ARG 22 -0.350 9.387 -1.939
178 1HG ARG 22 2HG ARG 22 -2.431 10.570 -1.506
179 2HG ARG 22 1HG ARG 22 -1.207 11.739 -2.004
180 1HD ARG 22 2HD ARG 22 -2.575 10.684 -4.334
181 2HD ARG 22 1HD ARG 22 -3.739 11.372 -3.184
182 HE ARG 22 HE ARG 22 -1.342 13.012 -3.569
183 1HH1 ARG 22 1HH2 ARG 22 -3.058 12.435 -6.143
184 2HH1 ARG 22 2HH2 ARG 22 -3.994 13.891 -6.190
185 1HH2 ARG 22 1HH1 ARG 22 -3.190 14.826 -2.949
186 2HH2 ARG 22 2HH1 ARG 22 -4.069 15.244 -4.382
187 H ARG 23 H ARG 23 1.806 10.147 -1.984
188 HA ARG 23 HA ARG 23 2.090 12.780 -1.113
189 1HB ARG 23 2HB ARG 23 4.293 10.735 -1.538
190 2HB ARG 23 1HB ARG 23 4.308 12.049 -0.364
191 1HG ARG 23 2HG ARG 23 2.580 9.574 -0.381
192 2HG ARG 23 1HG ARG 23 3.652 10.151 0.893
193 1HD ARG 23 2HD ARG 23 1.027 11.412 0.024
194 2HD ARG 23 1HD ARG 23 1.387 10.659 1.589
195 HE ARG 23 HE ARG 23 3.361 12.615 1.240
196 1HH1 ARG 23 1HH2 ARG 23 0.638 13.657 -0.056
197 2HH1 ARG 23 2HH2 ARG 23 0.130 14.713 1.218
198 1HH2 ARG 23 1HH1 ARG 23 2.403 13.466 3.519
199 2HH2 ARG 23 2HH1 ARG 23 1.128 14.604 3.242
200 H ARG 24 H ARG 24 4.078 11.232 -3.678
201 HA ARG 24 HA ARG 24 5.297 13.750 -4.468
202 1HB ARG 24 2HB ARG 24 5.157 10.918 -5.485
203 2HB ARG 24 1HB ARG 24 5.874 12.172 -6.498
204 1HG ARG 24 2HG ARG 24 7.790 11.896 -5.346
205 2HG ARG 24 1HG ARG 24 6.968 12.588 -3.946
206 1HD ARG 24 2HD ARG 24 7.799 10.453 -3.218
207 2HD ARG 24 1HD ARG 24 6.066 10.205 -3.514
208 HE ARG 24 HE ARG 24 6.717 9.346 -5.795
209 1HH1 ARG 24 1HH1 ARG 24 9.630 10.277 -5.436
210 2HH1 ARG 24 2HH1 ARG 24 10.417 8.760 -5.155
211 1HH2 ARG 24 1HH2 ARG 24 7.472 7.052 -4.495
212 2HH2 ARG 24 2HH2 ARG 24 9.195 6.933 -4.625
213 H ALA 25 H ALA 25 2.607 11.761 -5.687
214 HA ALA 25 HA ALA 25 2.004 12.991 -8.108
215 1HB ALA 25 1HB ALA 25 0.637 11.533 -5.986
216 2HB ALA 25 2HB ALA 25 0.369 11.464 -7.730
217 3HB ALA 25 3HB ALA 25 -0.445 12.693 -6.761
218 H GLU 26 H GLU 26 1.361 14.201 -4.824
219 HA GLU 26 HA GLU 26 -0.023 16.580 -5.778
220 1HB GLU 26 2HB GLU 26 -0.262 17.037 -3.450
221 2HB GLU 26 1HB GLU 26 -0.325 15.279 -3.580
222 1HG GLU 26 2HG GLU 26 1.391 15.166 -2.129
223 2HG GLU 26 1HG GLU 26 2.409 15.941 -3.340
224 H GLY 27 H GLY 27 3.282 15.668 -5.166
225 1HA GLY 27 2HA GLY 27 4.965 17.200 -6.236
226 2HA GLY 27 1HA GLY 27 4.080 18.536 -5.497
227 H ALA 28 H ALA 28 4.789 15.459 -3.902
228 HA ALA 28 HA ALA 28 5.812 16.738 -1.538
229 1HB ALA 28 1HB ALA 28 5.934 13.924 -2.662
230 2HB ALA 28 2HB ALA 28 4.802 14.549 -1.463
231 3HB ALA 28 3HB ALA 28 6.501 14.335 -1.043
232 H LYS 29 H LYS 29 8.141 15.748 -0.771
233 HA LYS 29 HA LYS 29 10.162 15.761 -2.909
234 1HB LYS 29 2HB LYS 29 11.245 17.825 -1.928
235 2HB LYS 29 1HB LYS 29 9.687 18.130 -2.699
236 1HG LYS 29 2HG LYS 29 8.565 18.076 -0.524
237 2HG LYS 29 1HG LYS 29 10.090 17.687 0.275
238 1HD LYS 29 2HD LYS 29 11.043 19.831 -0.516
239 2HD LYS 29 1HD LYS 29 9.503 20.226 -1.279
240 1HE LYS 29 2HE LYS 29 8.705 21.016 0.686
241 2HE LYS 29 1HE LYS 29 9.049 19.464 1.476
242 1HZ LYS 29 1HZ LYS 29 11.428 20.159 1.519
243 2HZ LYS 29 2HZ LYS 29 10.415 21.100 2.509
244 3HZ LYS 29 3HZ LYS 29 10.944 21.703 1.010
245 H SER 30 H SER 30 12.380 16.404 -1.310
246 HA SER 30 HA SER 30 13.809 15.475 0.329
247 1HB SER 30 2HB SER 30 11.111 15.682 1.437
248 2HB SER 30 1HB SER 30 12.034 14.384 2.189
249 HG SER 30 HG SER 30 12.405 17.126 2.251
250 H THR 31 H THR 31 14.752 13.425 0.715
251 HA THR 31 HA THR 31 13.642 11.194 -0.850
252 HB THR 31 HB THR 31 16.066 11.910 -0.747
253 HG1 THR 31 1HG THR 31 16.128 9.930 -1.426
254 1HG2 THR 31 1HG2 THR 31 17.005 12.213 1.270
255 2HG2 THR 31 2HG2 THR 31 16.817 10.490 1.596
256 3HG2 THR 31 3HG2 THR 31 15.543 11.620 2.058
257 H ASP 32 H ASP 32 12.662 12.283 1.991
258 HA ASP 32 HA ASP 32 12.960 10.010 3.771
259 1HB ASP 32 2HB ASP 32 11.883 12.672 3.740
260 2HB ASP 32 1HB ASP 32 10.654 11.577 4.374
261 H VAL 33 H VAL 33 10.800 10.806 1.154
262 HA VAL 33 HA VAL 33 8.757 8.838 1.981
263 HB VAL 33 HB VAL 33 9.154 10.787 -0.295
264 1HG1 VAL 33 1HG1 VAL 33 7.979 9.250 -1.528
265 2HG1 VAL 33 2HG1 VAL 33 6.613 9.957 -0.664
266 3HG1 VAL 33 3HG1 VAL 33 7.327 8.447 -0.099
267 1HG2 VAL 33 1HG2 VAL 33 6.729 11.283 0.844
268 2HG2 VAL 33 2HG2 VAL 33 8.228 12.047 1.372
269 3HG2 VAL 33 3HG2 VAL 33 7.609 10.635 2.229
270 H SER 34 H SER 34 8.530 6.806 1.041
271 HA SER 34 HA SER 34 9.716 6.006 -1.459
272 1HB SER 34 2HB SER 34 11.737 5.102 -0.777
273 2HB SER 34 1HB SER 34 11.602 6.399 0.408
274 HG SER 34 HG SER 34 11.450 3.678 0.723
275 H PHE 35 H PHE 35 8.970 3.922 -2.024
276 HA PHE 35 HA PHE 35 6.684 2.818 -0.938
277 1HB PHE 35 2HB PHE 35 7.628 2.072 -3.030
278 2HB PHE 35 1HB PHE 35 9.090 1.499 -2.229
279 HD1 PHE 35 1HD PHE 35 9.241 -0.794 -1.885
280 HD2 PHE 35 2HD PHE 35 5.372 1.072 -1.876
281 HE1 PHE 35 1HE PHE 35 8.176 -3.004 -1.515
282 HE2 PHE 35 2HE PHE 35 4.308 -1.136 -1.507
283 HZ PHE 35 HZ PHE 35 5.708 -3.174 -1.326
284 H SER 36 H SER 36 10.024 2.232 0.129
285 HA SER 36 HA SER 36 9.301 0.198 2.083
286 1HB SER 36 2HB SER 36 11.515 -0.014 1.546
287 2HB SER 36 1HB SER 36 11.669 1.688 1.123
288 HG SER 36 HG SER 36 12.806 1.487 2.970
289 H SER 37 H SER 37 10.113 3.673 2.242
290 HA SER 37 HA SER 37 9.932 3.963 5.079
291 1HB SER 37 2HB SER 37 10.883 5.534 3.311
292 2HB SER 37 1HB SER 37 9.224 6.000 2.948
293 HG SER 37 HG SER 37 10.197 7.382 4.495
294 H ILE 38 H ILE 38 7.490 4.704 2.553
295 HA ILE 38 HA ILE 38 5.355 5.425 4.252
296 HB ILE 38 HB ILE 38 5.581 4.107 1.542
297 1HG1 ILE 38 2HG1 ILE 38 6.258 6.523 1.957
298 2HG1 ILE 38 1HG1 ILE 38 5.017 6.299 0.726
299 1HG2 ILE 38 1HG2 ILE 38 3.429 3.442 1.763
300 2HG2 ILE 38 2HG2 ILE 38 3.025 5.155 1.668
301 3HG2 ILE 38 3HG2 ILE 38 3.206 4.380 3.240
302 1HD1 ILE 38 1HD1 ILE 38 3.816 6.536 3.350
303 2HD1 ILE 38 2HD1 ILE 38 3.532 7.507 1.907
304 3HD1 ILE 38 3HD1 ILE 38 4.844 7.928 3.007
305 H SER 39 H SER 39 6.430 2.194 3.215
306 HA SER 39 HA SER 39 4.215 0.736 4.325
307 1HB SER 39 2HB SER 39 7.114 -0.068 3.911
308 2HB SER 39 1HB SER 39 5.746 -1.169 4.052
309 HG SER 39 HG SER 39 6.516 0.505 1.957
310 H THR 40 H THR 40 7.256 1.939 5.661
311 HA THR 40 HA THR 40 7.459 0.541 8.077
312 HB THR 40 HB THR 40 7.857 3.525 7.764
313 HG1 THR 40 1HG THR 40 9.078 1.369 6.505
314 1HG2 THR 40 1HG2 THR 40 10.057 2.337 8.982
315 2HG2 THR 40 2HG2 THR 40 8.682 1.455 9.645
316 3HG2 THR 40 3HG2 THR 40 8.763 3.210 9.805
317 H MET 41 H MET 41 6.018 3.824 7.943
318 HA MET 41 HA MET 41 4.745 3.760 10.444
319 1HB MET 41 2HB MET 41 3.283 5.516 9.423
320 2HB MET 41 1HB MET 41 4.990 5.751 9.041
321 1HG MET 41 2HG MET 41 4.177 5.932 6.907
322 2HG MET 41 1HG MET 41 4.282 4.173 6.969
323 1HE MET 41 1HE MET 41 2.294 4.163 4.918
324 2HE MET 41 2HE MET 41 2.694 5.871 5.077
325 3HE MET 41 3HE MET 41 1.005 5.369 5.047
326 H LEU 42 H LEU 42 3.611 2.459 7.347
327 HA LEU 42 HA LEU 42 0.918 1.878 8.184
328 1HB LEU 42 2HB LEU 42 2.354 1.873 5.865
329 2HB LEU 42 1HB LEU 42 2.241 0.144 6.183
330 HG LEU 42 HG LEU 42 -0.242 1.773 6.491
331 1HD1 LEU 42 1HD1 LEU 42 0.156 2.642 4.394
332 2HD1 LEU 42 2HD1 LEU 42 -0.492 1.075 3.908
333 3HD1 LEU 42 3HD1 LEU 42 1.251 1.333 3.947
334 1HD2 LEU 42 1HD2 LEU 42 -1.248 -0.271 6.282
335 2HD2 LEU 42 2HD2 LEU 42 0.354 -0.878 6.700
336 3HD2 LEU 42 3HD2 LEU 42 -0.142 -0.793 5.012
337 H LEU 43 H LEU 43 3.607 -0.444 7.619
338 HA LEU 43 HA LEU 43 2.243 -2.539 9.071
339 1HB LEU 43 2HB LEU 43 4.108 -2.544 7.210
340 2HB LEU 43 1HB LEU 43 5.202 -2.500 8.596
341 HG LEU 43 HG LEU 43 3.257 -4.384 9.295
342 1HD1 LEU 43 1HD1 LEU 43 2.496 -5.371 7.417
343 2HD1 LEU 43 2HD1 LEU 43 4.150 -5.650 6.871
344 3HD1 LEU 43 3HD1 LEU 43 3.325 -4.147 6.457
345 1HD2 LEU 43 1HD2 LEU 43 6.049 -4.714 8.143
346 2HD2 LEU 43 2HD2 LEU 43 5.159 -5.991 8.972
347 3HD2 LEU 43 3HD2 LEU 43 5.628 -4.534 9.847
348 H GLU 44 H GLU 44 3.641 0.229 10.281
349 HA GLU 44 HA GLU 44 5.084 -0.913 12.547
350 1HB GLU 44 2HB GLU 44 4.275 1.728 11.453
351 2HB GLU 44 1HB GLU 44 4.470 1.667 13.205
352 1HG GLU 44 2HG GLU 44 6.722 0.642 12.874
353 2HG GLU 44 1HG GLU 44 6.533 0.860 11.137
354 H LEU 45 H LEU 45 1.870 0.386 11.865
355 HA LEU 45 HA LEU 45 1.007 -0.323 14.623
356 1HB LEU 45 2HB LEU 45 -0.395 1.466 14.420
357 2HB LEU 45 1HB LEU 45 0.715 1.923 13.142
358 HG LEU 45 HG LEU 45 -1.508 2.172 12.295
359 1HD1 LEU 45 1HD1 LEU 45 -0.419 1.426 10.457
360 2HD1 LEU 45 2HD1 LEU 45 -1.460 0.023 10.659
361 3HD1 LEU 45 3HD1 LEU 45 0.187 -0.008 11.271
362 1HD2 LEU 45 1HD2 LEU 45 -3.251 0.813 12.782
363 2HD2 LEU 45 2HD2 LEU 45 -2.202 0.178 14.048
364 3HD2 LEU 45 3HD2 LEU 45 -2.314 -0.651 12.497
365 H GLY 46 H GLY 46 1.088 -1.706 11.549
366 1HA GLY 46 2HA GLY 46 0.228 -3.939 11.181
367 2HA GLY 46 1HA GLY 46 -1.051 -3.612 12.348
368 H LEU 47 H LEU 47 -0.167 -1.378 9.753
369 HA LEU 47 HA LEU 47 -1.602 -0.423 8.112
370 1HB LEU 47 2HB LEU 47 -0.688 -2.394 7.031
371 2HB LEU 47 1HB LEU 47 -1.881 -3.427 7.816
372 HG LEU 47 HG LEU 47 -3.112 -1.218 6.349
373 1HD1 LEU 47 1HD1 LEU 47 -0.939 -2.681 5.085
374 2HD1 LEU 47 2HD1 LEU 47 -1.868 -1.314 4.469
375 3HD1 LEU 47 3HD1 LEU 47 -2.468 -2.960 4.250
376 1HD2 LEU 47 1HD2 LEU 47 -4.746 -2.775 6.184
377 2HD2 LEU 47 2HD2 LEU 47 -3.746 -3.785 7.228
378 3HD2 LEU 47 3HD2 LEU 47 -3.644 -3.957 5.476
379 H ARG 48 H ARG 48 -2.908 -1.075 10.830
380 HA ARG 48 HA ARG 48 -5.611 -1.960 10.226
381 1HB ARG 48 2HB ARG 48 -3.982 -1.612 12.453
382 2HB ARG 48 1HB ARG 48 -5.214 -0.368 12.652
383 1HG ARG 48 2HG ARG 48 -6.961 -1.919 12.728
384 2HG ARG 48 1HG ARG 48 -6.030 -3.156 11.883
385 1HD ARG 48 2HD ARG 48 -6.271 -3.677 14.316
386 2HD ARG 48 1HD ARG 48 -4.571 -3.416 13.873
387 HE ARG 48 HE ARG 48 -5.723 -0.900 14.570
388 1HH1 ARG 48 1HH2 ARG 48 -6.771 -2.849 16.705
389 2HH1 ARG 48 2HH2 ARG 48 -5.560 -2.665 17.929
390 1HH2 ARG 48 1HH1 ARG 48 -3.288 -1.109 15.820
391 2HH2 ARG 48 2HH1 ARG 48 -3.587 -1.679 17.429
392 H VAL 49 H VAL 49 -4.747 1.166 11.721
393 HA VAL 49 HA VAL 49 -7.051 2.564 10.917
394 HB VAL 49 HB VAL 49 -5.247 3.212 12.570
395 1HG1 VAL 49 1HG1 VAL 49 -3.370 2.752 10.939
396 2HG1 VAL 49 2HG1 VAL 49 -3.254 4.308 11.760
397 3HG1 VAL 49 3HG1 VAL 49 -3.827 4.232 10.095
398 1HG2 VAL 49 1HG2 VAL 49 -5.926 5.394 12.458
399 2HG2 VAL 49 2HG2 VAL 49 -7.000 4.772 11.204
400 3HG2 VAL 49 3HG2 VAL 49 -5.481 5.550 10.758
401 H TYR 50 H TYR 50 -3.967 2.142 9.192
402 HA TYR 50 HA TYR 50 -4.222 3.927 7.071
403 1HB TYR 50 2HB TYR 50 -2.279 2.568 7.280
404 2HB TYR 50 1HB TYR 50 -3.226 1.079 7.279
405 HD1 TYR 50 1HD TYR 50 -1.619 3.625 5.235
406 HD2 TYR 50 2HD TYR 50 -4.358 0.318 5.175
407 HE1 TYR 50 1HE TYR 50 -1.383 3.475 2.771
408 HE2 TYR 50 2HE TYR 50 -4.123 0.167 2.711
409 HH TYR 50 HH TYR 50 -1.680 1.561 1.013
410 H GLU 51 H GLU 51 -5.491 0.559 7.082
411 HA GLU 51 HA GLU 51 -6.894 0.730 4.627
412 1HB GLU 51 2HB GLU 51 -6.265 -1.141 6.487
413 2HB GLU 51 1HB GLU 51 -7.971 -0.909 6.851
414 1HG GLU 51 2HG GLU 51 -7.529 -1.041 3.988
415 2HG GLU 51 1HG GLU 51 -6.900 -2.476 4.793
416 H ALA 52 H ALA 52 -7.794 1.661 7.919
417 HA ALA 52 HA ALA 52 -10.605 2.141 7.257
418 1HB ALA 52 1HB ALA 52 -10.743 2.180 9.521
419 2HB ALA 52 2HB ALA 52 -9.514 3.440 9.640
420 3HB ALA 52 3HB ALA 52 -9.034 1.747 9.528
421 H GLN 53 H GLN 53 -7.995 4.346 8.363
422 HA GLN 53 HA GLN 53 -9.382 6.732 7.571
423 1HB GLN 53 2HB GLN 53 -6.598 5.950 8.391
424 2HB GLN 53 1HB GLN 53 -6.907 7.592 7.824
425 1HG GLN 53 2HG GLN 53 -9.002 6.998 9.617
426 2HG GLN 53 1HG GLN 53 -7.528 6.416 10.391
427 1HE2 GLN 53 1HE2 GLN 53 -8.737 9.327 8.627
428 2HE2 GLN 53 2HE2 GLN 53 -7.842 10.435 9.550
429 H MET 54 H MET 54 -7.244 4.527 5.868
430 HA MET 54 HA MET 54 -6.412 4.573 3.654
431 1HB MET 54 2HB MET 54 -9.081 5.987 3.590
432 2HB MET 54 1HB MET 54 -8.174 5.670 2.113
433 1HG MET 54 2HG MET 54 -8.035 3.220 3.173
434 2HG MET 54 1HG MET 54 -9.521 3.749 3.960
435 1HE MET 54 1HE MET 54 -9.426 1.369 2.366
436 2HE MET 54 2HE MET 54 -10.565 1.408 1.023
437 3HE MET 54 3HE MET 54 -11.095 1.894 2.632
438 H GLU 55 H GLU 55 -5.701 6.848 5.535
439 HA GLU 55 HA GLU 55 -4.629 8.953 5.419
440 1HB GLU 55 2HB GLU 55 -4.112 7.753 2.680
441 2HB GLU 55 1HB GLU 55 -3.228 9.126 3.345
442 1HG GLU 55 2HG GLU 55 -3.225 7.105 5.339
443 2HG GLU 55 1HG GLU 55 -2.792 6.325 3.817
444 H ARG 56 H ARG 56 -4.401 10.922 3.643
445 HA ARG 56 HA ARG 56 -7.018 11.319 2.273
446 1HB ARG 56 2HB ARG 56 -7.123 12.104 4.661
447 2HB ARG 56 1HB ARG 56 -5.818 13.233 4.298
448 1HG ARG 56 2HG ARG 56 -7.277 14.146 2.430
449 2HG ARG 56 1HG ARG 56 -8.594 13.179 3.094
450 1HD ARG 56 2HD ARG 56 -8.362 14.340 5.267
451 2HD ARG 56 1HD ARG 56 -7.047 15.324 4.593
452 HE ARG 56 HE ARG 56 -9.753 15.311 3.319
453 1HH1 ARG 56 1HH2 ARG 56 -8.410 17.105 5.678
454 2HH1 ARG 56 2HH2 ARG 56 -8.304 18.594 4.798
455 1HH2 ARG 56 1HH1 ARG 56 -9.019 17.141 1.732
456 2HH2 ARG 56 2HH1 ARG 56 -8.649 18.614 2.564
Start of MODEL 19
1 1H ALA 2 1H ALA 2 9.801 -13.135 -16.844
2 2H ALA 2 2H ALA 2 9.008 -14.141 -15.728
3 3H ALA 2 3H ALA 2 10.610 -14.473 -16.187
4 HA ALA 2 HA ALA 2 11.496 -12.871 -14.846
5 1HB ALA 2 1HB ALA 2 8.843 -11.416 -15.024
6 2HB ALA 2 2HB ALA 2 10.124 -11.223 -16.220
7 3HB ALA 2 3HB ALA 2 10.403 -10.746 -14.546
8 H LYS 3 H LYS 3 10.184 -11.607 -12.666
9 HA LYS 3 HA LYS 3 8.526 -13.681 -11.344
10 1HB LYS 3 2HB LYS 3 11.250 -13.806 -11.180
11 2HB LYS 3 1HB LYS 3 10.882 -12.790 -9.788
12 1HG LYS 3 2HG LYS 3 10.696 -14.908 -8.843
13 2HG LYS 3 1HG LYS 3 9.027 -14.612 -9.331
14 1HD LYS 3 2HD LYS 3 9.074 -16.278 -10.856
15 2HD LYS 3 1HD LYS 3 10.632 -15.751 -11.493
16 1HE LYS 3 2HE LYS 3 10.878 -16.905 -8.812
17 2HE LYS 3 1HE LYS 3 10.220 -18.055 -9.992
18 1HZ LYS 3 1HZ LYS 3 12.631 -16.362 -10.392
19 2HZ LYS 3 2HZ LYS 3 11.992 -17.460 -11.521
20 3HZ LYS 3 3HZ LYS 3 12.649 -18.023 -10.059
21 H VAL 4 H VAL 4 7.073 -11.714 -11.553
22 HA VAL 4 HA VAL 4 7.748 -9.436 -9.777
23 HB VAL 4 HB VAL 4 6.799 -9.045 -12.004
24 1HG1 VAL 4 1HG1 VAL 4 5.401 -10.645 -12.777
25 2HG1 VAL 4 2HG1 VAL 4 4.145 -9.859 -11.819
26 3HG1 VAL 4 3HG1 VAL 4 5.043 -11.220 -11.148
27 1HG2 VAL 4 1HG2 VAL 4 4.397 -8.423 -10.416
28 2HG2 VAL 4 2HG2 VAL 4 5.494 -7.335 -11.265
29 3HG2 VAL 4 3HG2 VAL 4 5.906 -7.922 -9.653
30 H GLN 5 H GLN 5 6.308 -8.822 -8.024
31 HA GLN 5 HA GLN 5 5.115 -9.374 -6.051
32 1HB GLN 5 2HB GLN 5 3.536 -10.694 -8.281
33 2HB GLN 5 1HB GLN 5 2.910 -10.433 -6.654
34 1HG GLN 5 2HG GLN 5 3.321 -7.995 -6.908
35 2HG GLN 5 1HG GLN 5 3.863 -8.281 -8.562
36 1HE2 GLN 5 1HE2 GLN 5 2.246 -8.875 -10.167
37 2HE2 GLN 5 2HE2 GLN 5 0.585 -8.722 -9.854
38 H ALA 6 H ALA 6 3.711 -11.643 -5.299
39 HA ALA 6 HA ALA 6 4.896 -14.164 -5.872
40 1HB ALA 6 1HB ALA 6 6.275 -12.394 -3.866
41 2HB ALA 6 2HB ALA 6 6.987 -13.400 -5.128
42 3HB ALA 6 3HB ALA 6 6.332 -14.143 -3.670
43 H TYR 7 H TYR 7 3.217 -15.423 -5.182
44 HA TYR 7 HA TYR 7 1.141 -14.793 -3.448
45 1HB TYR 7 2HB TYR 7 0.818 -17.206 -3.315
46 2HB TYR 7 1HB TYR 7 1.426 -16.810 -4.924
47 HD1 TYR 7 1HD TYR 7 3.692 -17.388 -5.601
48 HD2 TYR 7 2HD TYR 7 2.264 -18.290 -1.651
49 HE1 TYR 7 1HE TYR 7 5.641 -18.877 -5.235
50 HE2 TYR 7 2HE TYR 7 4.212 -19.779 -1.286
51 HH TYR 7 HH TYR 7 5.809 -21.101 -2.725
52 H VAL 8 H VAL 8 0.762 -15.173 -1.181
53 HA VAL 8 HA VAL 8 1.377 -15.133 1.102
54 HB VAL 8 HB VAL 8 3.382 -17.024 -0.159
55 1HG1 VAL 8 1HG1 VAL 8 3.334 -15.905 2.506
56 2HG1 VAL 8 2HG1 VAL 8 4.488 -17.038 1.802
57 3HG1 VAL 8 3HG1 VAL 8 3.021 -17.639 2.574
58 1HG2 VAL 8 1HG2 VAL 8 1.046 -17.710 1.620
59 2HG2 VAL 8 2HG2 VAL 8 1.879 -18.735 0.449
60 3HG2 VAL 8 3HG2 VAL 8 0.811 -17.445 -0.108
61 H SER 9 H SER 9 2.041 -12.817 0.807
62 HA SER 9 HA SER 9 4.709 -12.332 1.801
63 1HB SER 9 2HB SER 9 4.174 -12.354 -1.113
64 2HB SER 9 1HB SER 9 5.091 -10.969 -0.529
65 HG SER 9 HG SER 9 6.600 -12.498 -0.871
66 H ASP 10 H ASP 10 5.173 -9.826 1.586
67 HA ASP 10 HA ASP 10 3.036 -8.385 2.778
68 1HB ASP 10 2HB ASP 10 5.763 -7.998 1.888
69 2HB ASP 10 1HB ASP 10 4.795 -6.570 1.516
70 H GLU 11 H GLU 11 1.277 -8.968 1.173
71 HA GLU 11 HA GLU 11 1.225 -8.113 -1.534
72 1HB GLU 11 2HB GLU 11 -1.228 -8.265 -1.212
73 2HB GLU 11 1HB GLU 11 -0.401 -9.619 -0.439
74 1HG GLU 11 2HG GLU 11 -1.613 -9.033 1.392
75 2HG GLU 11 1HG GLU 11 -0.403 -7.763 1.577
76 H ILE 12 H ILE 12 1.213 -6.249 1.362
77 HA ILE 12 HA ILE 12 -0.329 -3.980 0.660
78 HB ILE 12 HB ILE 12 1.119 -2.854 2.312
79 1HG1 ILE 12 2HG1 ILE 12 2.866 -5.284 1.839
80 2HG1 ILE 12 1HG1 ILE 12 3.300 -3.589 1.612
81 1HG2 ILE 12 1HG2 ILE 12 0.850 -5.711 3.230
82 2HG2 ILE 12 2HG2 ILE 12 -0.584 -4.739 2.898
83 3HG2 ILE 12 3HG2 ILE 12 0.561 -4.226 4.139
84 1HD1 ILE 12 1HD1 ILE 12 4.163 -3.733 3.706
85 2HD1 ILE 12 2HD1 ILE 12 3.249 -5.195 4.078
86 3HD1 ILE 12 3HD1 ILE 12 2.485 -3.613 4.237
87 H VAL 13 H VAL 13 2.716 -5.097 -0.602
88 HA VAL 13 HA VAL 13 3.982 -2.767 -1.495
89 HB VAL 13 HB VAL 13 4.903 -4.999 -1.750
90 1HG1 VAL 13 1HG1 VAL 13 2.475 -5.883 -2.296
91 2HG1 VAL 13 2HG1 VAL 13 3.885 -6.726 -2.938
92 3HG1 VAL 13 3HG1 VAL 13 2.976 -5.618 -3.966
93 1HG2 VAL 13 1HG2 VAL 13 5.559 -4.929 -4.162
94 2HG2 VAL 13 2HG2 VAL 13 5.699 -3.357 -3.376
95 3HG2 VAL 13 3HG2 VAL 13 4.326 -3.696 -4.431
96 H TYR 14 H TYR 14 1.306 -4.532 -3.071
97 HA TYR 14 HA TYR 14 1.134 -2.743 -5.341
98 1HB TYR 14 2HB TYR 14 0.144 -5.214 -4.532
99 2HB TYR 14 1HB TYR 14 -1.292 -4.191 -4.578
100 HD1 TYR 14 1HD TYR 14 -2.351 -3.774 -6.621
101 HD2 TYR 14 2HD TYR 14 1.755 -5.035 -6.592
102 HE1 TYR 14 1HE TYR 14 -2.378 -3.915 -9.097
103 HE2 TYR 14 2HE TYR 14 1.729 -5.176 -9.068
104 HH TYR 14 HH TYR 14 0.530 -4.385 -10.941
105 H LYS 15 H LYS 15 -0.670 -3.018 -2.270
106 HA LYS 15 HA LYS 15 -2.498 -0.848 -2.885
107 1HB LYS 15 2HB LYS 15 -2.303 -2.923 -1.079
108 2HB LYS 15 1HB LYS 15 -1.982 -1.516 -0.064
109 1HG LYS 15 2HG LYS 15 -4.254 -1.374 0.040
110 2HG LYS 15 1HG LYS 15 -4.089 -0.608 -1.540
111 1HD LYS 15 2HD LYS 15 -4.228 -3.600 -1.388
112 2HD LYS 15 1HD LYS 15 -5.716 -2.665 -1.235
113 1HE LYS 15 2HE LYS 15 -5.712 -2.754 -3.529
114 2HE LYS 15 1HE LYS 15 -4.526 -1.440 -3.393
115 1HZ LYS 15 1HZ LYS 15 -3.972 -4.353 -3.553
116 2HZ LYS 15 2HZ LYS 15 -2.797 -3.197 -3.142
117 3HZ LYS 15 3HZ LYS 15 -3.527 -3.162 -4.676
118 H ILE 16 H ILE 16 0.407 -1.090 -0.789
119 HA ILE 16 HA ILE 16 0.367 1.583 0.183
120 HB ILE 16 HB ILE 16 2.652 -0.319 -0.424
121 1HG1 ILE 16 2HG1 ILE 16 1.012 0.198 2.078
122 2HG1 ILE 16 1HG1 ILE 16 0.975 -1.265 1.092
123 1HG2 ILE 16 1HG2 ILE 16 3.475 1.158 1.696
124 2HG2 ILE 16 2HG2 ILE 16 2.521 2.367 0.836
125 3HG2 ILE 16 3HG2 ILE 16 3.870 1.567 0.028
126 1HD1 ILE 16 1HD1 ILE 16 3.408 -0.212 2.565
127 2HD1 ILE 16 2HD1 ILE 16 3.341 -1.691 1.605
128 3HD1 ILE 16 3HD1 ILE 16 2.403 -1.561 3.093
129 H ASN 17 H ASN 17 1.599 0.235 -2.851
130 HA ASN 17 HA ASN 17 3.210 2.339 -3.783
131 1HB ASN 17 2HB ASN 17 1.818 0.025 -4.775
132 2HB ASN 17 1HB ASN 17 1.639 1.342 -5.936
133 1HD2 ASN 17 1HD2 ASN 17 3.463 -1.219 -5.767
134 2HD2 ASN 17 2HD2 ASN 17 4.999 -0.611 -6.162
135 H LYS 18 H LYS 18 -0.227 1.905 -4.734
136 HA LYS 18 HA LYS 18 -0.570 4.476 -5.871
137 1HB LYS 18 2HB LYS 18 -2.943 3.949 -5.665
138 2HB LYS 18 1HB LYS 18 -2.064 2.471 -6.054
139 1HG LYS 18 2HG LYS 18 -2.021 2.658 -3.245
140 2HG LYS 18 1HG LYS 18 -3.668 3.070 -3.722
141 1HD LYS 18 2HD LYS 18 -2.131 0.573 -4.492
142 2HD LYS 18 1HD LYS 18 -3.541 0.663 -3.437
143 1HE LYS 18 2HE LYS 18 -4.044 1.919 -6.032
144 2HE LYS 18 1HE LYS 18 -3.620 0.202 -6.181
145 1HZ LYS 18 1HZ LYS 18 -6.059 0.983 -5.550
146 2HZ LYS 18 2HZ LYS 18 -5.392 0.962 -3.987
147 3HZ LYS 18 3HZ LYS 18 -5.385 -0.447 -4.937
148 H ILE 19 H ILE 19 -0.485 3.499 -2.520
149 HA ILE 19 HA ILE 19 -1.881 5.817 -1.452
150 HB ILE 19 HB ILE 19 0.019 3.756 -0.290
151 1HG1 ILE 19 2HG1 ILE 19 -2.192 2.971 -1.208
152 2HG1 ILE 19 1HG1 ILE 19 -2.009 2.696 0.525
153 1HG2 ILE 19 1HG2 ILE 19 -1.566 5.986 0.988
154 2HG2 ILE 19 2HG2 ILE 19 0.132 5.571 1.225
155 3HG2 ILE 19 3HG2 ILE 19 -1.131 4.536 1.894
156 1HD1 ILE 19 1HD1 ILE 19 -3.438 5.068 -0.715
157 2HD1 ILE 19 2HD1 ILE 19 -3.301 4.723 1.009
158 3HD1 ILE 19 3HD1 ILE 19 -4.235 3.651 -0.034
159 H VAL 20 H VAL 20 1.576 4.887 -1.146
160 HA VAL 20 HA VAL 20 2.548 7.371 -0.234
161 HB VAL 20 HB VAL 20 3.928 5.437 -2.116
162 1HG1 VAL 20 1HG1 VAL 20 5.477 6.442 0.105
163 2HG1 VAL 20 2HG1 VAL 20 4.787 7.784 -0.807
164 3HG1 VAL 20 3HG1 VAL 20 5.794 6.588 -1.624
165 1HG2 VAL 20 1HG2 VAL 20 3.114 3.982 -0.490
166 2HG2 VAL 20 2HG2 VAL 20 3.129 5.217 0.767
167 3HG2 VAL 20 3HG2 VAL 20 4.641 4.479 0.238
168 H GLU 21 H GLU 21 2.234 6.199 -3.591
169 HA GLU 21 HA GLU 21 3.373 8.429 -4.915
170 1HB GLU 21 2HB GLU 21 2.529 6.049 -5.668
171 2HB GLU 21 1HB GLU 21 1.030 6.909 -6.017
172 1HG GLU 21 2HG GLU 21 2.178 8.435 -7.508
173 2HG GLU 21 1HG GLU 21 3.746 7.763 -7.056
174 H ARG 22 H ARG 22 -0.142 7.770 -4.504
175 HA ARG 22 HA ARG 22 -1.245 10.080 -5.525
176 1HB ARG 22 2HB ARG 22 -2.338 8.081 -4.386
177 2HB ARG 22 1HB ARG 22 -2.019 8.889 -2.850
178 1HG ARG 22 2HG ARG 22 -4.240 9.522 -3.447
179 2HG ARG 22 1HG ARG 22 -3.232 10.919 -3.833
180 1HD ARG 22 2HD ARG 22 -3.817 10.796 -6.017
181 2HD ARG 22 1HD ARG 22 -3.334 9.088 -6.089
182 HE ARG 22 HE ARG 22 -5.831 9.477 -4.641
183 1HH1 ARG 22 1HH2 ARG 22 -4.503 7.625 -6.978
184 2HH1 ARG 22 2HH2 ARG 22 -5.839 7.662 -8.078
185 1HH2 ARG 22 1HH1 ARG 22 -7.505 10.190 -6.384
186 2HH2 ARG 22 2HH1 ARG 22 -7.540 9.116 -7.743
187 H ARG 23 H ARG 23 -0.048 9.778 -2.154
188 HA ARG 23 HA ARG 23 -0.548 12.324 -1.185
189 1HB ARG 23 2HB ARG 23 1.383 10.170 -0.776
190 2HB ARG 23 1HB ARG 23 2.073 11.745 -0.389
191 1HG ARG 23 2HG ARG 23 1.071 11.211 1.639
192 2HG ARG 23 1HG ARG 23 -0.236 12.097 0.855
193 1HD ARG 23 2HD ARG 23 -1.464 10.158 0.415
194 2HD ARG 23 1HD ARG 23 -0.023 9.122 0.450
195 HE ARG 23 HE ARG 23 0.068 9.559 2.931
196 1HH1 ARG 23 1HH2 ARG 23 -2.772 8.901 1.295
197 2HH1 ARG 23 2HH2 ARG 23 -3.835 9.328 2.595
198 1HH2 ARG 23 1HH1 ARG 23 -1.314 10.670 4.564
199 2HH2 ARG 23 2HH1 ARG 23 -3.009 10.332 4.447
200 H ARG 24 H ARG 24 2.689 11.587 -2.523
201 HA ARG 24 HA ARG 24 3.276 14.354 -3.066
202 1HB ARG 24 2HB ARG 24 5.092 12.856 -2.775
203 2HB ARG 24 1HB ARG 24 4.404 11.668 -3.879
204 1HG ARG 24 2HG ARG 24 5.152 12.768 -5.753
205 2HG ARG 24 1HG ARG 24 5.002 14.360 -5.006
206 1HD ARG 24 2HD ARG 24 7.251 14.309 -4.699
207 2HD ARG 24 1HD ARG 24 6.982 13.026 -3.504
208 HE ARG 24 HE ARG 24 7.910 11.562 -5.097
209 1HH1 ARG 24 1HH1 ARG 24 7.889 14.379 -6.755
210 2HH1 ARG 24 2HH1 ARG 24 7.458 13.722 -8.297
211 1HH2 ARG 24 1HH2 ARG 24 6.638 10.598 -7.039
212 2HH2 ARG 24 2HH2 ARG 24 6.753 11.582 -8.459
213 H ALA 25 H ALA 25 1.861 11.731 -4.978
214 HA ALA 25 HA ALA 25 1.994 12.652 -7.588
215 1HB ALA 25 1HB ALA 25 0.811 10.617 -6.712
216 2HB ALA 25 2HB ALA 25 -0.160 11.521 -7.874
217 3HB ALA 25 3HB ALA 25 -0.491 11.663 -6.149
218 H GLU 26 H GLU 26 0.001 13.912 -4.929
219 HA GLU 26 HA GLU 26 -1.242 15.921 -6.675
220 1HB GLU 26 2HB GLU 26 -1.342 15.473 -3.676
221 2HB GLU 26 1HB GLU 26 -2.450 16.480 -4.610
222 1HG GLU 26 2HG GLU 26 -2.067 13.529 -5.157
223 2HG GLU 26 1HG GLU 26 -3.303 14.145 -4.058
224 H GLY 27 H GLY 27 1.424 15.603 -4.439
225 1HA GLY 27 2HA GLY 27 3.073 17.134 -3.766
226 2HA GLY 27 1HA GLY 27 2.677 18.029 -5.237
227 H ALA 28 H ALA 28 0.452 17.274 -2.601
228 HA ALA 28 HA ALA 28 -0.100 20.186 -2.360
229 1HB ALA 28 1HB ALA 28 -1.530 17.668 -2.120
230 2HB ALA 28 2HB ALA 28 -2.175 19.292 -2.360
231 3HB ALA 28 3HB ALA 28 -1.839 18.709 -0.730
232 H LYS 29 H LYS 29 2.334 19.015 -1.152
233 HA LYS 29 HA LYS 29 2.614 20.438 1.209
234 1HB LYS 29 2HB LYS 29 0.826 18.146 1.500
235 2HB LYS 29 1HB LYS 29 2.178 18.064 2.629
236 1HG LYS 29 2HG LYS 29 1.656 20.189 3.571
237 2HG LYS 29 1HG LYS 29 0.556 20.586 2.253
238 1HD LYS 29 2HD LYS 29 -1.160 19.365 3.140
239 2HD LYS 29 1HD LYS 29 -0.082 18.106 3.746
240 1HE LYS 29 2HE LYS 29 -0.634 19.058 5.779
241 2HE LYS 29 1HE LYS 29 0.673 20.177 5.342
242 1HZ LYS 29 1HZ LYS 29 -1.164 21.549 5.756
243 2HZ LYS 29 2HZ LYS 29 -2.241 20.517 4.941
244 3HZ LYS 29 3HZ LYS 29 -1.106 21.429 4.064
245 H SER 30 H SER 30 3.969 18.697 2.926
246 HA SER 30 HA SER 30 6.320 17.995 1.272
247 1HB SER 30 2HB SER 30 7.127 17.519 3.751
248 2HB SER 30 1HB SER 30 6.926 19.178 3.196
249 HG SER 30 HG SER 30 5.774 18.096 5.240
250 H THR 31 H THR 31 3.983 16.369 0.948
251 HA THR 31 HA THR 31 4.465 13.872 2.451
252 HB THR 31 HB THR 31 2.198 14.829 1.889
253 HG1 THR 31 1HG THR 31 2.510 12.592 2.275
254 1HG2 THR 31 1HG2 THR 31 1.448 14.384 -0.498
255 2HG2 THR 31 2HG2 THR 31 3.151 14.170 -0.904
256 3HG2 THR 31 3HG2 THR 31 2.576 15.724 -0.297
257 H ASP 32 H ASP 32 6.645 14.730 0.806
258 HA ASP 32 HA ASP 32 6.559 13.195 -1.700
259 1HB ASP 32 2HB ASP 32 7.714 15.310 -1.636
260 2HB ASP 32 1HB ASP 32 8.643 14.819 -0.220
261 H VAL 33 H VAL 33 6.432 11.950 1.138
262 HA VAL 33 HA VAL 33 8.771 10.497 1.759
263 HB VAL 33 HB VAL 33 6.432 10.795 2.890
264 1HG1 VAL 33 1HG1 VAL 33 5.876 8.091 1.734
265 2HG1 VAL 33 2HG1 VAL 33 5.446 9.516 0.792
266 3HG1 VAL 33 3HG1 VAL 33 4.753 9.277 2.395
267 1HG2 VAL 33 1HG2 VAL 33 6.952 8.096 3.558
268 2HG2 VAL 33 2HG2 VAL 33 7.534 9.536 4.394
269 3HG2 VAL 33 3HG2 VAL 33 8.507 8.804 3.120
270 H SER 34 H SER 34 7.954 7.759 1.570
271 HA SER 34 HA SER 34 7.532 7.132 -1.277
272 1HB SER 34 2HB SER 34 10.058 7.768 -0.498
273 2HB SER 34 1HB SER 34 10.060 6.038 -0.168
274 HG SER 34 HG SER 34 9.564 5.645 -2.285
275 H PHE 35 H PHE 35 8.035 4.574 -1.475
276 HA PHE 35 HA PHE 35 6.226 3.224 0.277
277 1HB PHE 35 2HB PHE 35 6.974 2.625 -2.079
278 2HB PHE 35 1HB PHE 35 8.475 2.029 -1.366
279 HD1 PHE 35 1HD PHE 35 8.264 0.295 0.554
280 HD2 PHE 35 2HD PHE 35 5.086 1.232 -2.177
281 HE1 PHE 35 1HE PHE 35 7.147 -1.846 1.119
282 HE2 PHE 35 2HE PHE 35 3.969 -0.907 -1.614
283 HZ PHE 35 HZ PHE 35 4.999 -2.447 0.036
284 H SER 36 H SER 36 9.800 2.955 0.066
285 HA SER 36 HA SER 36 10.363 1.259 2.171
286 1HB SER 36 2HB SER 36 12.301 2.010 1.221
287 2HB SER 36 1HB SER 36 11.617 3.595 0.870
288 HG SER 36 HG SER 36 13.335 3.105 2.694
289 H SER 37 H SER 37 9.560 4.725 2.428
290 HA SER 37 HA SER 37 9.766 4.734 5.346
291 1HB SER 37 2HB SER 37 9.490 6.569 3.134
292 2HB SER 37 1HB SER 37 8.294 6.951 4.369
293 HG SER 37 HG SER 37 10.809 7.585 4.394
294 H ILE 38 H ILE 38 7.065 4.985 2.996
295 HA ILE 38 HA ILE 38 4.978 4.963 4.974
296 HB ILE 38 HB ILE 38 5.079 4.203 2.038
297 1HG1 ILE 38 2HG1 ILE 38 5.794 6.538 2.744
298 2HG1 ILE 38 1HG1 ILE 38 4.425 6.482 1.634
299 1HG2 ILE 38 1HG2 ILE 38 2.557 5.152 2.546
300 2HG2 ILE 38 2HG2 ILE 38 2.898 4.242 4.018
301 3HG2 ILE 38 3HG2 ILE 38 2.980 3.442 2.447
302 1HD1 ILE 38 1HD1 ILE 38 2.858 6.896 3.378
303 2HD1 ILE 38 2HD1 ILE 38 4.177 8.034 3.658
304 3HD1 ILE 38 3HD1 ILE 38 4.055 6.568 4.631
305 H SER 39 H SER 39 6.965 2.438 3.672
306 HA SER 39 HA SER 39 5.104 0.239 4.055
307 1HB SER 39 2HB SER 39 6.799 -0.287 2.577
308 2HB SER 39 1HB SER 39 7.989 0.681 3.442
309 HG SER 39 HG SER 39 7.002 -1.900 4.040
310 H THR 40 H THR 40 8.195 0.790 5.767
311 HA THR 40 HA THR 40 7.889 -0.835 7.960
312 HB THR 40 HB THR 40 9.835 0.586 7.481
313 HG1 THR 40 1HG THR 40 8.926 1.489 9.970
314 1HG2 THR 40 1HG2 THR 40 8.384 2.944 8.641
315 2HG2 THR 40 2HG2 THR 40 8.222 2.574 6.925
316 3HG2 THR 40 3HG2 THR 40 9.812 2.916 7.606
317 H MET 41 H MET 41 6.463 2.432 7.635
318 HA MET 41 HA MET 41 5.234 2.397 10.264
319 1HB MET 41 2HB MET 41 4.204 4.454 9.463
320 2HB MET 41 1HB MET 41 5.875 4.406 8.900
321 1HG MET 41 2HG MET 41 5.241 3.848 6.695
322 2HG MET 41 1HG MET 41 3.629 3.339 7.194
323 1HE MET 41 1HE MET 41 1.769 5.203 5.894
324 2HE MET 41 2HE MET 41 1.449 6.067 7.395
325 3HE MET 41 3HE MET 41 1.870 4.357 7.445
326 H LEU 42 H LEU 42 4.271 1.281 7.073
327 HA LEU 42 HA LEU 42 1.433 1.128 7.534
328 1HB LEU 42 2HB LEU 42 3.421 0.445 5.552
329 2HB LEU 42 1HB LEU 42 2.283 -0.888 5.733
330 HG LEU 42 HG LEU 42 1.652 0.928 4.038
331 1HD1 LEU 42 1HD1 LEU 42 0.113 -0.591 5.869
332 2HD1 LEU 42 2HD1 LEU 42 -0.402 0.051 4.308
333 3HD1 LEU 42 3HD1 LEU 42 -0.646 0.999 5.774
334 1HD2 LEU 42 1HD2 LEU 42 0.423 2.569 6.115
335 2HD2 LEU 42 2HD2 LEU 42 1.382 3.067 4.722
336 3HD2 LEU 42 3HD2 LEU 42 2.183 2.589 6.220
337 H LEU 43 H LEU 43 3.963 -1.427 7.655
338 HA LEU 43 HA LEU 43 2.203 -3.468 8.658
339 1HB LEU 43 2HB LEU 43 4.285 -4.000 7.556
340 2HB LEU 43 1HB LEU 43 5.206 -3.055 8.728
341 HG LEU 43 HG LEU 43 3.699 -4.852 10.269
342 1HD1 LEU 43 1HD1 LEU 43 5.104 -6.358 8.050
343 2HD1 LEU 43 2HD1 LEU 43 3.365 -6.061 8.045
344 3HD1 LEU 43 3HD1 LEU 43 4.093 -7.020 9.334
345 1HD2 LEU 43 1HD2 LEU 43 6.181 -5.970 10.202
346 2HD2 LEU 43 2HD2 LEU 43 5.796 -4.515 11.121
347 3HD2 LEU 43 3HD2 LEU 43 6.533 -4.379 9.525
348 H GLU 44 H GLU 44 4.394 -1.169 10.292
349 HA GLU 44 HA GLU 44 4.150 -2.196 12.937
350 1HB GLU 44 2HB GLU 44 4.559 0.582 11.787
351 2HB GLU 44 1HB GLU 44 4.722 0.224 13.507
352 1HG GLU 44 2HG GLU 44 6.201 -1.523 11.591
353 2HG GLU 44 1HG GLU 44 6.818 0.109 11.850
354 H LEU 45 H LEU 45 2.031 -0.255 10.949
355 HA LEU 45 HA LEU 45 0.158 0.214 13.218
356 1HB LEU 45 2HB LEU 45 0.971 1.522 10.752
357 2HB LEU 45 1HB LEU 45 -0.784 1.352 10.823
358 HG LEU 45 HG LEU 45 0.461 2.211 13.355
359 1HD1 LEU 45 1HD1 LEU 45 0.924 3.654 10.801
360 2HD1 LEU 45 2HD1 LEU 45 1.849 3.695 12.303
361 3HD1 LEU 45 3HD1 LEU 45 0.366 4.638 12.155
362 1HD2 LEU 45 1HD2 LEU 45 -1.583 3.883 12.081
363 2HD2 LEU 45 2HD2 LEU 45 -1.615 3.074 13.648
364 3HD2 LEU 45 3HD2 LEU 45 -2.057 2.188 12.188
365 H GLY 46 H GLY 46 0.732 -2.236 11.109
366 1HA GLY 46 2HA GLY 46 -0.597 -3.952 10.217
367 2HA GLY 46 1HA GLY 46 -1.805 -3.480 11.414
368 H LEU 47 H LEU 47 -0.639 -1.160 9.100
369 HA LEU 47 HA LEU 47 -1.668 -0.143 7.233
370 1HB LEU 47 2HB LEU 47 -3.563 -2.507 7.289
371 2HB LEU 47 1HB LEU 47 -3.099 -1.526 5.902
372 HG LEU 47 HG LEU 47 -0.786 -2.718 7.244
373 1HD1 LEU 47 1HD1 LEU 47 -1.269 -5.020 6.372
374 2HD1 LEU 47 2HD1 LEU 47 -2.930 -4.510 6.065
375 3HD1 LEU 47 3HD1 LEU 47 -2.309 -4.553 7.716
376 1HD2 LEU 47 1HD2 LEU 47 -1.543 -1.781 4.715
377 2HD2 LEU 47 2HD2 LEU 47 -1.345 -3.521 4.502
378 3HD2 LEU 47 3HD2 LEU 47 -0.011 -2.552 5.129
379 H ARG 48 H ARG 48 -3.042 -0.551 10.214
380 HA ARG 48 HA ARG 48 -5.756 0.368 9.718
381 1HB ARG 48 2HB ARG 48 -4.926 -0.958 11.689
382 2HB ARG 48 1HB ARG 48 -4.055 0.477 12.229
383 1HG ARG 48 2HG ARG 48 -5.998 1.628 12.766
384 2HG ARG 48 1HG ARG 48 -6.977 0.719 11.614
385 1HD ARG 48 2HD ARG 48 -5.990 -1.187 13.463
386 2HD ARG 48 1HD ARG 48 -6.577 0.186 14.421
387 HE ARG 48 HE ARG 48 -8.389 -0.474 12.250
388 1HH1 ARG 48 1HH1 ARG 48 -8.174 -0.061 15.529
389 2HH1 ARG 48 2HH1 ARG 48 -9.331 -1.275 15.959
390 1HH2 ARG 48 1HH2 ARG 48 -9.551 -2.577 12.753
391 2HH2 ARG 48 2HH2 ARG 48 -10.112 -2.699 14.388
392 H VAL 49 H VAL 49 -2.679 1.918 9.857
393 HA VAL 49 HA VAL 49 -3.081 4.415 10.963
394 HB VAL 49 HB VAL 49 -0.971 3.958 10.060
395 1HG1 VAL 49 1HG1 VAL 49 -1.001 2.281 8.532
396 2HG1 VAL 49 2HG1 VAL 49 -1.069 3.583 7.345
397 3HG1 VAL 49 3HG1 VAL 49 -2.554 2.787 7.868
398 1HG2 VAL 49 1HG2 VAL 49 -1.550 5.520 7.671
399 2HG2 VAL 49 2HG2 VAL 49 -0.591 5.954 9.085
400 3HG2 VAL 49 3HG2 VAL 49 -2.338 6.195 9.097
401 H TYR 50 H TYR 50 -3.190 4.589 7.440
402 HA TYR 50 HA TYR 50 -5.124 6.671 7.399
403 1HB TYR 50 2HB TYR 50 -5.277 5.921 4.940
404 2HB TYR 50 1HB TYR 50 -3.671 6.339 5.537
405 HD1 TYR 50 1HD TYR 50 -5.974 3.415 5.119
406 HD2 TYR 50 2HD TYR 50 -1.915 4.798 5.357
407 HE1 TYR 50 1HE TYR 50 -5.166 1.141 4.547
408 HE2 TYR 50 2HE TYR 50 -1.106 2.523 4.786
409 HH TYR 50 HH TYR 50 -2.576 0.357 3.355
410 H GLU 51 H GLU 51 -5.493 3.156 7.331
411 HA GLU 51 HA GLU 51 -8.192 2.987 6.478
412 1HB GLU 51 2HB GLU 51 -6.158 1.320 7.123
413 2HB GLU 51 1HB GLU 51 -7.160 1.145 8.560
414 1HG GLU 51 2HG GLU 51 -8.767 1.117 6.142
415 2HG GLU 51 1HG GLU 51 -7.530 -0.138 6.105
416 H ALA 52 H ALA 52 -6.800 4.076 9.478
417 HA ALA 52 HA ALA 52 -9.102 3.576 11.174
418 1HB ALA 52 1HB ALA 52 -6.756 3.879 11.945
419 2HB ALA 52 2HB ALA 52 -7.847 5.029 12.720
420 3HB ALA 52 3HB ALA 52 -6.808 5.554 11.394
421 H GLN 53 H GLN 53 -7.752 6.671 9.968
422 HA GLN 53 HA GLN 53 -10.020 8.262 10.588
423 1HB GLN 53 2HB GLN 53 -7.749 8.441 8.605
424 2HB GLN 53 1HB GLN 53 -8.938 9.735 8.762
425 1HG GLN 53 2HG GLN 53 -7.623 8.670 11.237
426 2HG GLN 53 1HG GLN 53 -6.723 9.783 10.206
427 1HE2 GLN 53 1HE2 GLN 53 -7.480 11.994 10.049
428 2HE2 GLN 53 2HE2 GLN 53 -8.682 12.607 11.079
429 H MET 54 H MET 54 -9.434 6.044 7.965
430 HA MET 54 HA MET 54 -10.789 5.402 6.140
431 1HB MET 54 2HB MET 54 -12.884 6.807 7.832
432 2HB MET 54 1HB MET 54 -13.184 5.571 6.609
433 1HG MET 54 2HG MET 54 -11.226 4.790 8.672
434 2HG MET 54 1HG MET 54 -12.862 5.048 9.280
435 1HE MET 54 1HE MET 54 -14.919 2.266 8.202
436 2HE MET 54 2HE MET 54 -14.922 4.008 8.458
437 3HE MET 54 3HE MET 54 -14.171 2.952 9.650
438 H GLU 55 H GLU 55 -9.361 7.854 5.822
439 HA GLU 55 HA GLU 55 -11.086 9.985 4.880
440 1HB GLU 55 2HB GLU 55 -8.405 9.583 5.507
441 2HB GLU 55 1HB GLU 55 -8.382 9.836 3.761
442 1HG GLU 55 2HG GLU 55 -8.637 12.044 4.096
443 2HG GLU 55 1HG GLU 55 -10.197 11.730 4.858
444 H ARG 56 H ARG 56 -10.348 10.708 2.410
445 HA ARG 56 HA ARG 56 -10.395 8.404 0.560
446 1HB ARG 56 2HB ARG 56 -12.558 9.033 -0.381
447 2HB ARG 56 1HB ARG 56 -12.745 8.799 1.356
448 1HG ARG 56 2HG ARG 56 -12.136 11.408 1.378
449 2HG ARG 56 1HG ARG 56 -12.840 11.317 -0.238
450 1HD ARG 56 2HD ARG 56 -14.750 9.962 1.015
451 2HD ARG 56 1HD ARG 56 -14.150 10.864 2.422
452 HE ARG 56 HE ARG 56 -14.661 12.399 -0.067
453 1HH1 ARG 56 1HH1 ARG 56 -14.516 12.661 3.215
454 2HH1 ARG 56 2HH1 ARG 56 -16.028 13.480 3.424
455 1HH2 ARG 56 1HH2 ARG 56 -17.063 12.961 0.156
456 2HH2 ARG 56 2HH2 ARG 56 -17.470 13.651 1.691
Start of MODEL 20
1 1H ALA 2 1H ALA 2 -8.503 -18.402 -15.185
2 2H ALA 2 2H ALA 2 -9.495 -19.778 -15.277
3 3H ALA 2 3H ALA 2 -8.263 -19.537 -16.421
4 HA ALA 2 HA ALA 2 -7.959 -20.220 -13.545
5 1HB ALA 2 1HB ALA 2 -8.165 -21.622 -16.009
6 2HB ALA 2 2HB ALA 2 -7.779 -22.292 -14.424
7 3HB ALA 2 3HB ALA 2 -6.484 -21.749 -15.490
8 H LYS 3 H LYS 3 -6.206 -19.258 -12.597
9 HA LYS 3 HA LYS 3 -3.664 -18.976 -13.993
10 1HB LYS 3 2HB LYS 3 -5.182 -17.114 -14.855
11 2HB LYS 3 1HB LYS 3 -5.138 -16.445 -13.224
12 1HG LYS 3 2HG LYS 3 -2.508 -16.763 -13.567
13 2HG LYS 3 1HG LYS 3 -2.964 -16.610 -15.264
14 1HD LYS 3 2HD LYS 3 -4.423 -14.591 -14.078
15 2HD LYS 3 1HD LYS 3 -2.922 -14.571 -13.149
16 1HE LYS 3 2HE LYS 3 -1.595 -14.220 -15.109
17 2HE LYS 3 1HE LYS 3 -2.955 -14.605 -16.183
18 1HZ LYS 3 1HZ LYS 3 -2.918 -12.276 -16.074
19 2HZ LYS 3 2HZ LYS 3 -2.638 -12.263 -14.399
20 3HZ LYS 3 3HZ LYS 3 -4.154 -12.729 -15.005
21 H VAL 4 H VAL 4 -2.337 -19.562 -12.321
22 HA VAL 4 HA VAL 4 -2.941 -19.461 -9.558
23 HB VAL 4 HB VAL 4 -0.373 -19.477 -11.160
24 1HG1 VAL 4 1HG1 VAL 4 0.783 -20.104 -9.077
25 2HG1 VAL 4 2HG1 VAL 4 -0.713 -19.881 -8.171
26 3HG1 VAL 4 3HG1 VAL 4 0.072 -18.497 -8.932
27 1HG2 VAL 4 1HG2 VAL 4 -0.610 -21.739 -11.145
28 2HG2 VAL 4 2HG2 VAL 4 -2.297 -21.405 -10.753
29 3HG2 VAL 4 3HG2 VAL 4 -1.145 -21.760 -9.465
30 H GLN 5 H GLN 5 -3.224 -17.672 -8.286
31 HA GLN 5 HA GLN 5 -1.840 -15.137 -9.064
32 1HB GLN 5 2HB GLN 5 -4.491 -15.910 -8.155
33 2HB GLN 5 1HB GLN 5 -3.808 -14.637 -7.145
34 1HG GLN 5 2HG GLN 5 -3.199 -13.988 -9.848
35 2HG GLN 5 1HG GLN 5 -4.909 -14.409 -9.783
36 1HE2 GLN 5 1HE2 GLN 5 -5.469 -12.100 -10.091
37 2HE2 GLN 5 2HE2 GLN 5 -5.322 -11.004 -8.803
38 H ALA 6 H ALA 6 -0.783 -17.405 -7.467
39 HA ALA 6 HA ALA 6 0.659 -17.628 -5.596
40 1HB ALA 6 1HB ALA 6 0.247 -14.819 -4.762
41 2HB ALA 6 2HB ALA 6 0.772 -15.022 -6.434
42 3HB ALA 6 3HB ALA 6 1.747 -15.675 -5.116
43 H TYR 7 H TYR 7 -0.092 -18.661 -3.791
44 HA TYR 7 HA TYR 7 -2.689 -18.354 -2.684
45 1HB TYR 7 2HB TYR 7 -0.077 -19.406 -1.561
46 2HB TYR 7 1HB TYR 7 -1.644 -19.653 -0.788
47 HD1 TYR 7 1HD TYR 7 0.588 -21.465 -2.458
48 HD2 TYR 7 2HD TYR 7 -3.454 -20.127 -3.014
49 HE1 TYR 7 1HE TYR 7 0.155 -23.396 -3.953
50 HE2 TYR 7 2HE TYR 7 -3.887 -22.057 -4.510
51 HH TYR 7 HH TYR 7 -1.329 -24.442 -5.218
52 H VAL 8 H VAL 8 -3.477 -16.638 -1.555
53 HA VAL 8 HA VAL 8 -3.429 -14.542 -0.412
54 HB VAL 8 HB VAL 8 -2.564 -15.039 1.935
55 1HG1 VAL 8 1HG1 VAL 8 -4.274 -17.302 0.931
56 2HG1 VAL 8 2HG1 VAL 8 -4.879 -15.647 0.884
57 3HG1 VAL 8 3HG1 VAL 8 -4.424 -16.376 2.424
58 1HG2 VAL 8 1HG2 VAL 8 -0.780 -16.630 1.139
59 2HG2 VAL 8 2HG2 VAL 8 -2.055 -17.779 0.736
60 3HG2 VAL 8 3HG2 VAL 8 -1.803 -17.292 2.411
61 H SER 9 H SER 9 -1.873 -13.500 -1.963
62 HA SER 9 HA SER 9 0.922 -13.313 -0.926
63 1HB SER 9 2HB SER 9 0.922 -13.821 -3.216
64 2HB SER 9 1HB SER 9 -0.497 -12.826 -3.535
65 HG SER 9 HG SER 9 2.155 -11.998 -2.966
66 H ASP 10 H ASP 10 1.789 -11.267 -0.357
67 HA ASP 10 HA ASP 10 0.063 -9.326 0.787
68 1HB ASP 10 2HB ASP 10 2.812 -9.904 0.569
69 2HB ASP 10 1HB ASP 10 2.628 -8.258 -0.039
70 H GLU 11 H GLU 11 -1.456 -9.050 -1.125
71 HA GLU 11 HA GLU 11 -0.616 -7.802 -3.570
72 1HB GLU 11 2HB GLU 11 -2.744 -8.997 -3.238
73 2HB GLU 11 1HB GLU 11 -3.256 -7.779 -2.071
74 1HG GLU 11 2HG GLU 11 -2.850 -6.076 -3.986
75 2HG GLU 11 1HG GLU 11 -2.876 -7.485 -5.047
76 H ILE 12 H ILE 12 -0.959 -6.581 -0.366
77 HA ILE 12 HA ILE 12 -1.663 -3.852 -0.922
78 HB ILE 12 HB ILE 12 -0.199 -5.306 1.288
79 1HG1 ILE 12 2HG1 ILE 12 -2.916 -3.959 1.136
80 2HG1 ILE 12 1HG1 ILE 12 -2.637 -5.696 1.006
81 1HG2 ILE 12 1HG2 ILE 12 -0.351 -2.432 0.755
82 2HG2 ILE 12 2HG2 ILE 12 0.645 -3.304 1.920
83 3HG2 ILE 12 3HG2 ILE 12 -1.016 -2.867 2.329
84 1HD1 ILE 12 1HD1 ILE 12 -1.793 -4.035 3.396
85 2HD1 ILE 12 2HD1 ILE 12 -1.765 -5.793 3.258
86 3HD1 ILE 12 3HD1 ILE 12 -3.305 -4.936 3.316
87 H VAL 13 H VAL 13 1.397 -5.613 -0.986
88 HA VAL 13 HA VAL 13 3.333 -3.634 -0.882
89 HB VAL 13 HB VAL 13 3.793 -6.003 -1.226
90 1HG1 VAL 13 1HG1 VAL 13 3.013 -7.242 -3.008
91 2HG1 VAL 13 2HG1 VAL 13 3.054 -5.867 -4.113
92 3HG1 VAL 13 3HG1 VAL 13 1.739 -6.024 -2.949
93 1HG2 VAL 13 1HG2 VAL 13 4.740 -4.370 -3.603
94 2HG2 VAL 13 2HG2 VAL 13 5.499 -5.841 -2.996
95 3HG2 VAL 13 3HG2 VAL 13 5.496 -4.380 -2.008
96 H TYR 14 H TYR 14 1.174 -4.357 -3.618
97 HA TYR 14 HA TYR 14 2.384 -2.456 -5.438
98 1HB TYR 14 2HB TYR 14 1.000 -4.467 -6.018
99 2HB TYR 14 1HB TYR 14 -0.413 -3.635 -5.371
100 HD1 TYR 14 1HD TYR 14 -1.661 -2.193 -6.741
101 HD2 TYR 14 2HD TYR 14 2.357 -3.226 -7.856
102 HE1 TYR 14 1HE TYR 14 -1.958 -1.018 -8.903
103 HE2 TYR 14 2HE TYR 14 2.059 -2.050 -10.019
104 HH TYR 14 HH TYR 14 0.719 -0.459 -11.075
105 H LYS 15 H LYS 15 -0.417 -2.337 -3.230
106 HA LYS 15 HA LYS 15 -1.315 0.287 -4.011
107 1HB LYS 15 2HB LYS 15 -1.615 -1.374 -1.487
108 2HB LYS 15 1HB LYS 15 -2.541 0.090 -1.818
109 1HG LYS 15 2HG LYS 15 -3.627 -0.890 -3.692
110 2HG LYS 15 1HG LYS 15 -2.478 -2.227 -3.755
111 1HD LYS 15 2HD LYS 15 -4.195 -3.304 -2.665
112 2HD LYS 15 1HD LYS 15 -3.391 -2.604 -1.260
113 1HE LYS 15 2HE LYS 15 -4.933 -0.708 -1.262
114 2HE LYS 15 1HE LYS 15 -5.692 -1.294 -2.755
115 1HZ LYS 15 1HZ LYS 15 -5.465 -2.956 -0.311
116 2HZ LYS 15 2HZ LYS 15 -6.418 -3.249 -1.687
117 3HZ LYS 15 3HZ LYS 15 -6.820 -1.985 -0.626
118 H ILE 16 H ILE 16 0.852 -0.866 -1.419
119 HA ILE 16 HA ILE 16 1.294 1.407 0.093
120 HB ILE 16 HB ILE 16 3.225 -0.640 -1.032
121 1HG1 ILE 16 2HG1 ILE 16 1.825 -0.353 1.646
122 2HG1 ILE 16 1HG1 ILE 16 1.424 -1.527 0.392
123 1HG2 ILE 16 1HG2 ILE 16 4.428 1.414 -0.312
124 2HG2 ILE 16 2HG2 ILE 16 4.777 0.040 0.739
125 3HG2 ILE 16 3HG2 ILE 16 3.652 1.293 1.268
126 1HD1 ILE 16 1HD1 ILE 16 3.040 -2.921 1.105
127 2HD1 ILE 16 2HD1 ILE 16 3.310 -1.836 2.469
128 3HD1 ILE 16 3HD1 ILE 16 4.249 -1.643 0.988
129 H ASN 17 H ASN 17 2.860 0.671 -3.044
130 HA ASN 17 HA ASN 17 4.342 3.157 -3.151
131 1HB ASN 17 2HB ASN 17 4.164 0.699 -4.517
132 2HB ASN 17 1HB ASN 17 3.773 1.930 -5.718
133 1HD2 ASN 17 1HD2 ASN 17 6.348 0.231 -5.001
134 2HD2 ASN 17 2HD2 ASN 17 7.580 1.398 -5.053
135 H LYS 18 H LYS 18 1.070 2.261 -3.941
136 HA LYS 18 HA LYS 18 0.566 4.397 -5.853
137 1HB LYS 18 2HB LYS 18 -0.760 2.139 -4.630
138 2HB LYS 18 1HB LYS 18 -1.821 3.547 -4.590
139 1HG LYS 18 2HG LYS 18 -2.053 3.597 -6.855
140 2HG LYS 18 1HG LYS 18 -0.368 3.160 -7.134
141 1HD LYS 18 2HD LYS 18 -1.122 1.103 -7.687
142 2HD LYS 18 1HD LYS 18 -1.467 0.876 -5.972
143 1HE LYS 18 2HE LYS 18 -3.528 2.413 -7.441
144 2HE LYS 18 1HE LYS 18 -3.378 0.708 -7.916
145 1HZ LYS 18 1HZ LYS 18 -4.735 0.582 -6.065
146 2HZ LYS 18 2HZ LYS 18 -3.941 1.846 -5.254
147 3HZ LYS 18 3HZ LYS 18 -3.204 0.322 -5.386
148 H ILE 19 H ILE 19 0.487 4.112 -2.351
149 HA ILE 19 HA ILE 19 -1.127 6.498 -1.899
150 HB ILE 19 HB ILE 19 0.649 4.702 -0.237
151 1HG1 ILE 19 2HG1 ILE 19 -2.291 5.213 0.129
152 2HG1 ILE 19 1HG1 ILE 19 -1.748 4.128 -1.151
153 1HG2 ILE 19 1HG2 ILE 19 -0.709 6.073 1.636
154 2HG2 ILE 19 2HG2 ILE 19 -0.559 7.344 0.422
155 3HG2 ILE 19 3HG2 ILE 19 0.886 6.575 1.076
156 1HD1 ILE 19 1HD1 ILE 19 -1.826 2.556 0.499
157 2HD1 ILE 19 2HD1 ILE 19 -1.693 3.756 1.785
158 3HD1 ILE 19 3HD1 ILE 19 -0.249 3.220 0.927
159 H VAL 20 H VAL 20 2.367 5.754 -1.577
160 HA VAL 20 HA VAL 20 3.233 8.354 -0.826
161 HB VAL 20 HB VAL 20 4.699 6.361 -2.578
162 1HG1 VAL 20 1HG1 VAL 20 6.245 8.018 -2.303
163 2HG1 VAL 20 2HG1 VAL 20 6.457 7.281 -0.715
164 3HG1 VAL 20 3HG1 VAL 20 5.417 8.694 -0.900
165 1HG2 VAL 20 1HG2 VAL 20 4.357 4.847 -0.938
166 2HG2 VAL 20 2HG2 VAL 20 3.584 6.049 0.095
167 3HG2 VAL 20 3HG2 VAL 20 5.339 5.876 0.103
168 H GLU 21 H GLU 21 3.058 6.876 -4.085
169 HA GLU 21 HA GLU 21 3.968 9.115 -5.568
170 1HB GLU 21 2HB GLU 21 3.480 6.637 -6.193
171 2HB GLU 21 1HB GLU 21 1.836 7.198 -6.500
172 1HG GLU 21 2HG GLU 21 3.210 9.107 -7.830
173 2HG GLU 21 1HG GLU 21 4.337 7.760 -8.003
174 H ARG 22 H ARG 22 0.565 8.095 -5.018
175 HA ARG 22 HA ARG 22 -0.768 10.219 -6.233
176 1HB ARG 22 2HB ARG 22 -1.489 8.070 -4.823
177 2HB ARG 22 1HB ARG 22 -1.684 9.271 -3.544
178 1HG ARG 22 2HG ARG 22 -3.447 10.300 -4.590
179 2HG ARG 22 1HG ARG 22 -2.816 9.972 -6.204
180 1HD ARG 22 2HD ARG 22 -3.342 7.443 -5.498
181 2HD ARG 22 1HD ARG 22 -4.534 8.254 -4.462
182 HE ARG 22 HE ARG 22 -4.532 8.254 -7.407
183 1HH1 ARG 22 1HH1 ARG 22 -6.847 8.038 -5.337
184 2HH1 ARG 22 2HH1 ARG 22 -7.674 9.526 -5.655
185 1HH2 ARG 22 1HH2 ARG 22 -5.050 10.907 -7.453
186 2HH2 ARG 22 2HH2 ARG 22 -6.657 11.150 -6.853
187 H ARG 23 H ARG 23 0.398 10.137 -2.841
188 HA ARG 23 HA ARG 23 -0.459 12.677 -2.014
189 1HB ARG 23 2HB ARG 23 1.673 10.739 -1.352
190 2HB ARG 23 1HB ARG 23 1.999 12.391 -0.827
191 1HG ARG 23 2HG ARG 23 0.804 11.193 0.939
192 2HG ARG 23 1HG ARG 23 -0.236 12.451 0.272
193 1HD ARG 23 2HD ARG 23 -1.151 10.613 -1.303
194 2HD ARG 23 1HD ARG 23 -0.381 9.465 -0.187
195 HE ARG 23 HE ARG 23 -1.691 10.971 1.596
196 1HH1 ARG 23 1HH2 ARG 23 -3.144 11.812 -1.106
197 2HH1 ARG 23 2HH2 ARG 23 -4.620 10.933 -0.896
198 1HH2 ARG 23 1HH1 ARG 23 -3.407 8.993 1.708
199 2HH2 ARG 23 2HH1 ARG 23 -4.770 9.337 0.697
200 H ARG 24 H ARG 24 2.923 12.068 -3.053
201 HA ARG 24 HA ARG 24 3.457 14.843 -3.554
202 1HB ARG 24 2HB ARG 24 5.227 13.250 -3.121
203 2HB ARG 24 1HB ARG 24 4.730 12.249 -4.486
204 1HG ARG 24 2HG ARG 24 5.462 13.858 -6.073
205 2HG ARG 24 1HG ARG 24 5.578 15.124 -4.851
206 1HD ARG 24 2HD ARG 24 7.824 14.227 -5.473
207 2HD ARG 24 1HD ARG 24 7.448 13.908 -3.767
208 HE ARG 24 HE ARG 24 6.574 11.797 -5.609
209 1HH1 ARG 24 1HH2 ARG 24 9.295 13.109 -3.975
210 2HH1 ARG 24 2HH2 ARG 24 9.963 11.567 -3.559
211 1HH2 ARG 24 1HH1 ARG 24 7.324 9.762 -4.904
212 2HH2 ARG 24 2HH1 ARG 24 8.848 9.671 -4.085
213 H ALA 25 H ALA 25 2.156 12.243 -5.559
214 HA ALA 25 HA ALA 25 2.470 13.206 -8.154
215 1HB ALA 25 1HB ALA 25 0.408 11.714 -6.613
216 2HB ALA 25 2HB ALA 25 1.242 11.258 -8.099
217 3HB ALA 25 3HB ALA 25 -0.123 12.372 -8.160
218 H GLU 26 H GLU 26 -0.040 14.172 -5.790
219 HA GLU 26 HA GLU 26 -1.009 16.330 -7.499
220 1HB GLU 26 2HB GLU 26 -1.495 15.709 -4.569
221 2HB GLU 26 1HB GLU 26 -2.508 16.716 -5.603
222 1HG GLU 26 2HG GLU 26 -2.395 14.419 -7.076
223 2HG GLU 26 1HG GLU 26 -2.331 13.772 -5.435
224 H GLY 27 H GLY 27 1.468 15.909 -5.132
225 1HA GLY 27 2HA GLY 27 3.034 17.402 -4.230
226 2HA GLY 27 1HA GLY 27 2.572 18.516 -5.519
227 H ALA 28 H ALA 28 0.170 17.272 -3.328
228 HA ALA 28 HA ALA 28 -0.092 20.024 -2.167
229 1HB ALA 28 1HB ALA 28 -1.973 19.324 -3.524
230 2HB ALA 28 2HB ALA 28 -2.482 19.271 -1.836
231 3HB ALA 28 3HB ALA 28 -2.064 17.779 -2.679
232 H LYS 29 H LYS 29 1.752 18.137 -1.013
233 HA LYS 29 HA LYS 29 0.955 18.235 1.742
234 1HB LYS 29 2HB LYS 29 -0.498 16.397 0.449
235 2HB LYS 29 1HB LYS 29 0.926 15.408 0.771
236 1HG LYS 29 2HG LYS 29 0.353 15.179 2.933
237 2HG LYS 29 1HG LYS 29 0.218 16.927 3.126
238 1HD LYS 29 2HD LYS 29 -2.007 15.961 1.571
239 2HD LYS 29 1HD LYS 29 -1.892 15.039 3.070
240 1HE LYS 29 2HE LYS 29 -1.622 17.323 4.251
241 2HE LYS 29 1HE LYS 29 -2.217 18.027 2.734
242 1HZ LYS 29 1HZ LYS 29 -3.941 16.070 2.980
243 2HZ LYS 29 2HZ LYS 29 -4.199 17.574 3.728
244 3HZ LYS 29 3HZ LYS 29 -3.592 16.268 4.628
245 H SER 30 H SER 30 2.560 17.138 3.151
246 HA SER 30 HA SER 30 5.222 17.044 1.872
247 1HB SER 30 2HB SER 30 4.452 16.620 4.772
248 2HB SER 30 1HB SER 30 6.006 17.160 4.145
249 HG SER 30 HG SER 30 4.844 18.937 4.867
250 H THR 31 H THR 31 3.471 14.922 1.113
251 HA THR 31 HA THR 31 4.553 12.560 2.595
252 HB THR 31 HB THR 31 2.632 11.700 0.784
253 HG1 THR 31 1HG THR 31 1.841 14.194 1.875
254 1HG2 THR 31 1HG2 THR 31 2.203 12.681 3.619
255 2HG2 THR 31 2HG2 THR 31 2.835 11.096 3.176
256 3HG2 THR 31 3HG2 THR 31 1.180 11.533 2.753
257 H ASP 32 H ASP 32 6.327 13.923 0.866
258 HA ASP 32 HA ASP 32 6.333 12.617 -1.763
259 1HB ASP 32 2HB ASP 32 8.313 13.993 -2.083
260 2HB ASP 32 1HB ASP 32 7.102 14.961 -1.242
261 H VAL 33 H VAL 33 6.800 11.270 1.096
262 HA VAL 33 HA VAL 33 9.397 10.146 1.202
263 HB VAL 33 HB VAL 33 8.280 8.444 2.580
264 1HG1 VAL 33 1HG1 VAL 33 6.618 10.841 3.158
265 2HG1 VAL 33 2HG1 VAL 33 8.363 11.088 3.111
266 3HG1 VAL 33 3HG1 VAL 33 7.668 9.915 4.232
267 1HG2 VAL 33 1HG2 VAL 33 6.313 7.701 1.712
268 2HG2 VAL 33 2HG2 VAL 33 6.022 9.212 0.852
269 3HG2 VAL 33 3HG2 VAL 33 5.600 9.074 2.557
270 H SER 34 H SER 34 8.712 7.328 1.146
271 HA SER 34 HA SER 34 8.117 6.768 -1.713
272 1HB SER 34 2HB SER 34 10.640 5.827 -0.324
273 2HB SER 34 1HB SER 34 10.245 5.674 -2.033
274 HG SER 34 HG SER 34 10.805 7.690 -2.338
275 H PHE 35 H PHE 35 9.137 4.063 -1.513
276 HA PHE 35 HA PHE 35 6.881 2.777 -0.234
277 1HB PHE 35 2HB PHE 35 8.266 2.075 -2.278
278 2HB PHE 35 1HB PHE 35 9.484 1.521 -1.128
279 HD1 PHE 35 1HD PHE 35 6.045 1.008 -2.375
280 HD2 PHE 35 2HD PHE 35 9.104 -0.415 0.285
281 HE1 PHE 35 1HE PHE 35 4.772 -1.093 -2.032
282 HE2 PHE 35 2HE PHE 35 7.831 -2.515 0.627
283 HZ PHE 35 HZ PHE 35 5.664 -2.855 -0.532
284 H SER 36 H SER 36 10.381 2.333 0.414
285 HA SER 36 HA SER 36 10.365 0.926 2.762
286 1HB SER 36 2HB SER 36 12.293 1.969 1.450
287 2HB SER 36 1HB SER 36 12.007 3.441 2.376
288 HG SER 36 HG SER 36 12.368 2.234 4.267
289 H SER 37 H SER 37 9.705 4.427 2.502
290 HA SER 37 HA SER 37 9.414 4.833 5.359
291 1HB SER 37 2HB SER 37 8.585 6.351 2.873
292 2HB SER 37 1HB SER 37 8.345 6.983 4.499
293 HG SER 37 HG SER 37 10.606 6.756 4.815
294 H ILE 38 H ILE 38 6.842 5.405 2.965
295 HA ILE 38 HA ILE 38 4.661 5.051 4.669
296 HB ILE 38 HB ILE 38 5.315 5.330 1.882
297 1HG1 ILE 38 2HG1 ILE 38 3.077 6.413 1.862
298 2HG1 ILE 38 1HG1 ILE 38 2.797 5.790 3.485
299 1HG2 ILE 38 1HG2 ILE 38 3.213 4.242 0.979
300 2HG2 ILE 38 2HG2 ILE 38 3.107 3.354 2.499
301 3HG2 ILE 38 3HG2 ILE 38 4.496 3.121 1.434
302 1HD1 ILE 38 1HD1 ILE 38 5.363 7.165 3.243
303 2HD1 ILE 38 2HD1 ILE 38 4.080 7.387 4.433
304 3HD1 ILE 38 3HD1 ILE 38 3.993 8.214 2.879
305 H SER 39 H SER 39 6.529 2.591 2.921
306 HA SER 39 HA SER 39 4.813 0.360 3.207
307 1HB SER 39 2HB SER 39 6.848 0.324 1.882
308 2HB SER 39 1HB SER 39 7.833 0.633 3.309
309 HG SER 39 HG SER 39 7.077 -1.692 2.334
310 H THR 40 H THR 40 7.730 0.574 5.222
311 HA THR 40 HA THR 40 7.003 -1.059 7.315
312 HB THR 40 HB THR 40 8.476 1.591 7.325
313 HG1 THR 40 1HG THR 40 9.080 -1.081 6.822
314 1HG2 THR 40 1HG2 THR 40 7.840 -0.303 9.506
315 2HG2 THR 40 2HG2 THR 40 8.283 1.401 9.588
316 3HG2 THR 40 3HG2 THR 40 9.534 0.172 9.393
317 H MET 41 H MET 41 6.158 2.405 7.028
318 HA MET 41 HA MET 41 4.886 2.884 9.452
319 1HB MET 41 2HB MET 41 5.097 4.056 6.937
320 2HB MET 41 1HB MET 41 3.359 3.835 7.141
321 1HG MET 41 2HG MET 41 4.513 4.787 9.608
322 2HG MET 41 1HG MET 41 4.972 5.857 8.283
323 1HE MET 41 1HE MET 41 2.660 5.342 6.263
324 2HE MET 41 2HE MET 41 3.312 6.942 6.614
325 3HE MET 41 3HE MET 41 1.568 6.687 6.625
326 H LEU 42 H LEU 42 3.193 1.682 6.521
327 HA LEU 42 HA LEU 42 0.676 1.161 7.578
328 1HB LEU 42 2HB LEU 42 2.433 -0.143 5.522
329 2HB LEU 42 1HB LEU 42 0.871 -0.872 5.895
330 HG LEU 42 HG LEU 42 1.083 2.075 5.307
331 1HD1 LEU 42 1HD1 LEU 42 2.015 1.309 3.314
332 2HD1 LEU 42 2HD1 LEU 42 0.294 1.221 2.936
333 3HD1 LEU 42 3HD1 LEU 42 1.172 -0.238 3.396
334 1HD2 LEU 42 1HD2 LEU 42 -0.978 0.630 6.228
335 2HD2 LEU 42 2HD2 LEU 42 -1.182 0.299 4.507
336 3HD2 LEU 42 3HD2 LEU 42 -1.214 1.961 5.095
337 H LEU 43 H LEU 43 3.234 -1.347 7.341
338 HA LEU 43 HA LEU 43 1.933 -3.268 8.978
339 1HB LEU 43 2HB LEU 43 3.819 -3.732 7.483
340 2HB LEU 43 1HB LEU 43 4.876 -2.725 8.476
341 HG LEU 43 HG LEU 43 3.638 -4.547 10.248
342 1HD1 LEU 43 1HD1 LEU 43 3.403 -6.510 9.164
343 2HD1 LEU 43 2HD1 LEU 43 5.032 -6.387 8.500
344 3HD1 LEU 43 3HD1 LEU 43 3.675 -5.650 7.648
345 1HD2 LEU 43 1HD2 LEU 43 6.415 -4.376 9.034
346 2HD2 LEU 43 2HD2 LEU 43 6.010 -5.428 10.392
347 3HD2 LEU 43 3HD2 LEU 43 5.873 -3.678 10.560
348 H GLU 44 H GLU 44 4.272 -0.708 9.865
349 HA GLU 44 HA GLU 44 4.568 -1.423 12.615
350 1HB GLU 44 2HB GLU 44 5.156 0.778 10.799
351 2HB GLU 44 1HB GLU 44 4.701 1.378 12.393
352 1HG GLU 44 2HG GLU 44 6.575 -0.932 12.336
353 2HG GLU 44 1HG GLU 44 7.221 0.619 11.793
354 H LEU 45 H LEU 45 1.965 -0.049 10.840
355 HA LEU 45 HA LEU 45 0.594 0.949 13.287
356 1HB LEU 45 2HB LEU 45 0.537 1.382 10.351
357 2HB LEU 45 1HB LEU 45 -1.021 1.499 11.169
358 HG LEU 45 HG LEU 45 0.599 2.912 12.874
359 1HD1 LEU 45 1HD1 LEU 45 1.764 4.511 11.196
360 2HD1 LEU 45 2HD1 LEU 45 1.633 3.175 10.051
361 3HD1 LEU 45 3HD1 LEU 45 2.551 2.971 11.544
362 1HD2 LEU 45 1HD2 LEU 45 -1.668 3.429 11.699
363 2HD2 LEU 45 2HD2 LEU 45 -0.678 4.243 10.491
364 3HD2 LEU 45 3HD2 LEU 45 -0.643 4.784 12.169
365 H GLY 46 H GLY 46 0.848 -1.880 11.473
366 1HA GLY 46 2HA GLY 46 -0.387 -3.884 11.689
367 2HA GLY 46 1HA GLY 46 -1.502 -3.039 12.764
368 H LEU 47 H LEU 47 -0.970 -1.310 9.905
369 HA LEU 47 HA LEU 47 -2.181 -1.110 7.873
370 1HB LEU 47 2HB LEU 47 -2.363 -3.796 8.563
371 2HB LEU 47 1HB LEU 47 -4.048 -3.309 8.371
372 HG LEU 47 HG LEU 47 -3.410 -2.268 6.162
373 1HD1 LEU 47 1HD1 LEU 47 -1.168 -1.948 5.950
374 2HD1 LEU 47 2HD1 LEU 47 -1.151 -3.630 5.419
375 3HD1 LEU 47 3HD1 LEU 47 -0.781 -3.231 7.097
376 1HD2 LEU 47 1HD2 LEU 47 -4.319 -4.227 5.497
377 2HD2 LEU 47 2HD2 LEU 47 -3.613 -5.087 6.866
378 3HD2 LEU 47 3HD2 LEU 47 -2.677 -4.859 5.389
379 H ARG 48 H ARG 48 -4.032 -1.873 10.830
380 HA ARG 48 HA ARG 48 -6.455 -0.548 9.945
381 1HB ARG 48 2HB ARG 48 -6.278 -2.354 11.665
382 2HB ARG 48 1HB ARG 48 -5.439 -1.222 12.726
383 1HG ARG 48 2HG ARG 48 -7.965 -0.183 11.628
384 2HG ARG 48 1HG ARG 48 -8.164 -1.590 12.674
385 1HD ARG 48 2HD ARG 48 -6.724 0.993 13.384
386 2HD ARG 48 1HD ARG 48 -8.242 0.394 14.083
387 HE ARG 48 HE ARG 48 -5.683 -0.420 14.972
388 1HH1 ARG 48 1HH1 ARG 48 -8.249 -1.197 16.317
389 2HH1 ARG 48 2HH1 ARG 48 -8.252 -2.918 16.120
390 1HH2 ARG 48 1HH2 ARG 48 -5.836 -2.908 13.633
391 2HH2 ARG 48 2HH2 ARG 48 -6.886 -3.886 14.601
392 H VAL 49 H VAL 49 -4.246 0.354 12.622
393 HA VAL 49 HA VAL 49 -5.068 2.928 13.146
394 HB VAL 49 HB VAL 49 -2.191 2.024 12.811
395 1HG1 VAL 49 1HG1 VAL 49 -1.870 3.556 14.783
396 2HG1 VAL 49 2HG1 VAL 49 -3.539 4.087 14.575
397 3HG1 VAL 49 3HG1 VAL 49 -2.354 4.388 13.305
398 1HG2 VAL 49 1HG2 VAL 49 -3.135 1.770 15.490
399 2HG2 VAL 49 2HG2 VAL 49 -2.595 0.489 14.407
400 3HG2 VAL 49 3HG2 VAL 49 -4.295 0.956 14.440
401 H TYR 50 H TYR 50 -3.319 1.835 10.286
402 HA TYR 50 HA TYR 50 -2.249 4.147 9.199
403 1HB TYR 50 2HB TYR 50 -2.088 2.052 8.061
404 2HB TYR 50 1HB TYR 50 -3.843 1.884 7.976
405 HD1 TYR 50 1HD TYR 50 -4.638 2.121 5.800
406 HD2 TYR 50 2HD TYR 50 -1.419 4.628 7.142
407 HE1 TYR 50 1HE TYR 50 -4.647 3.300 3.619
408 HE2 TYR 50 2HE TYR 50 -1.428 5.808 4.960
409 HH TYR 50 HH TYR 50 -2.133 5.393 2.652
410 H GLU 51 H GLU 51 -5.621 3.085 8.558
411 HA GLU 51 HA GLU 51 -6.517 5.429 7.281
412 1HB GLU 51 2HB GLU 51 -7.458 2.971 7.890
413 2HB GLU 51 1HB GLU 51 -8.337 3.920 9.085
414 1HG GLU 51 2HG GLU 51 -8.365 5.254 6.521
415 2HG GLU 51 1HG GLU 51 -8.975 3.608 6.363
416 H ALA 52 H ALA 52 -5.720 4.920 10.599
417 HA ALA 52 HA ALA 52 -7.491 6.949 11.722
418 1HB ALA 52 1HB ALA 52 -5.890 4.838 12.603
419 2HB ALA 52 2HB ALA 52 -6.772 5.965 13.632
420 3HB ALA 52 3HB ALA 52 -5.082 6.275 13.230
421 H GLN 53 H GLN 53 -4.610 7.093 9.903
422 HA GLN 53 HA GLN 53 -3.598 9.536 11.184
423 1HB GLN 53 2HB GLN 53 -1.713 9.189 9.793
424 2HB GLN 53 1HB GLN 53 -2.265 7.559 10.173
425 1HG GLN 53 2HG GLN 53 -3.645 7.690 8.012
426 2HG GLN 53 1HG GLN 53 -2.684 9.116 7.618
427 1HE2 GLN 53 1HE2 GLN 53 -1.278 8.323 6.004
428 2HE2 GLN 53 2HE2 GLN 53 -0.253 6.985 6.215
429 H MET 54 H MET 54 -6.093 8.921 9.106
430 HA MET 54 HA MET 54 -5.613 11.336 7.411
431 1HB MET 54 2HB MET 54 -7.717 9.155 7.242
432 2HB MET 54 1HB MET 54 -7.357 10.361 6.006
433 1HG MET 54 2HG MET 54 -5.269 9.398 5.498
434 2HG MET 54 1HG MET 54 -5.208 8.507 7.019
435 1HE MET 54 1HE MET 54 -5.273 5.605 4.630
436 2HE MET 54 2HE MET 54 -4.317 6.778 5.533
437 3HE MET 54 3HE MET 54 -4.808 7.137 3.879
438 H GLU 55 H GLU 55 -6.471 11.373 10.319
439 HA GLU 55 HA GLU 55 -9.098 12.780 9.936
440 1HB GLU 55 2HB GLU 55 -9.650 11.982 12.194
441 2HB GLU 55 1HB GLU 55 -9.205 10.616 11.169
442 1HG GLU 55 2HG GLU 55 -7.328 10.168 12.369
443 2HG GLU 55 1HG GLU 55 -6.936 11.877 12.568
444 H ARG 56 H ARG 56 -9.429 14.591 11.489
445 HA ARG 56 HA ARG 56 -7.299 15.602 13.151
446 1HB ARG 56 2HB ARG 56 -6.757 17.537 11.558
447 2HB ARG 56 1HB ARG 56 -6.131 15.956 11.089
448 1HG ARG 56 2HG ARG 56 -8.797 16.240 10.057
449 2HG ARG 56 1HG ARG 56 -7.849 17.653 9.591
450 1HD ARG 56 2HD ARG 56 -6.069 15.565 9.173
451 2HD ARG 56 1HD ARG 56 -7.622 14.888 8.644
452 HE ARG 56 HE ARG 56 -6.688 17.572 7.697
453 1HH1 ARG 56 1HH2 ARG 56 -5.972 14.955 6.212
454 2HH1 ARG 56 2HH2 ARG 56 -7.184 14.957 4.974
455 1HH2 ARG 56 1HH1 ARG 56 -9.143 17.360 6.529
456 2HH2 ARG 56 2HH1 ARG 56 -8.980 16.321 5.153