Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11441 | 1rik RC | 6064 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H TYR 1 H TYR 1 -9.368 14.940 5.564
2 HA TYR 1 HA TYR 1 -7.514 12.700 5.103
3 1HB TYR 1 1HB TYR 1 -10.356 13.283 4.234
4 2HB TYR 1 2HB TYR 1 -9.394 11.937 3.637
5 HD1 TYR 1 HD1 TYR 1 -8.114 10.917 6.059
6 HD2 TYR 1 HD2 TYR 1 -12.074 12.366 5.487
7 HE1 TYR 1 HE1 TYR 1 -8.886 9.532 7.938
8 HE2 TYR 1 HE2 TYR 1 -12.855 10.986 7.364
9 HH TYR 1 HH TYR 1 -11.706 8.573 8.480
10 H LYS 2 H LYS 2 -5.945 13.386 3.775
11 HA LYS 2 HA LYS 2 -6.539 15.394 1.735
12 1HB LYS 2 1HB LYS 2 -4.068 14.383 3.045
13 2HB LYS 2 2HB LYS 2 -3.920 14.965 1.393
14 1HG LYS 2 1HG LYS 2 -3.421 16.805 2.752
15 2HG LYS 2 2HG LYS 2 -5.069 17.081 2.184
16 1HD LYS 2 1HD LYS 2 -5.994 16.450 4.271
17 2HD LYS 2 2HD LYS 2 -4.460 15.778 4.827
18 1HE LYS 2 1HE LYS 2 -3.563 18.181 4.532
19 2HE LYS 2 2HE LYS 2 -5.263 18.648 4.522
20 1HZ LYS 2 1HZ LYS 2 -5.480 17.480 6.687
21 2HZ LYS 2 2HZ LYS 2 -4.449 18.821 6.737
22 3HZ LYS 2 3HZ LYS 2 -3.801 17.259 6.700
23 H PHE 3 H PHE 3 -4.918 12.210 1.913
24 HA PHE 3 HA PHE 3 -5.539 11.822 -0.934
25 1HB PHE 3 1HB PHE 3 -3.246 11.103 0.779
26 2HB PHE 3 2HB PHE 3 -3.768 9.857 -0.337
27 HD1 PHE 3 HD1 PHE 3 -2.749 13.418 -0.174
28 HD2 PHE 3 HD2 PHE 3 -3.116 9.920 -2.573
29 HE1 PHE 3 HE1 PHE 3 -1.507 14.532 -1.982
30 HE2 PHE 3 HE2 PHE 3 -1.872 11.029 -4.384
31 HZ PHE 3 HZ PHE 3 -1.067 13.337 -4.090
32 H ALA 4 H ALA 4 -5.769 9.438 -1.522
33 HA ALA 4 HA ALA 4 -7.026 7.780 0.507
34 1HB ALA 4 1HB ALA 4 -9.072 7.447 -0.843
35 2HB ALA 4 2HB ALA 4 -8.537 8.733 -1.924
36 3HB ALA 4 3HB ALA 4 -8.910 9.095 -0.238
37 H CYS 5 H CYS 5 -6.758 5.627 0.100
38 HA CYS 5 HA CYS 5 -4.965 4.861 -1.972
39 1HB CYS 5 1HB CYS 5 -5.378 3.801 0.389
40 2HB CYS 5 2HB CYS 5 -6.601 2.866 -0.454
41 HG CYS 5 HG CYS 5 -4.818 1.620 -1.712
42 HA PRO 6 HA PRO 6 -7.960 4.020 -5.148
43 1HB PRO 6 1HB PRO 6 -6.346 2.746 -6.891
44 2HB PRO 6 2HB PRO 6 -6.231 4.487 -6.604
45 1HG PRO 6 1HG PRO 6 -4.544 2.270 -5.507
46 2HG PRO 6 2HG PRO 6 -4.044 3.855 -6.126
47 1HD PRO 6 1HD PRO 6 -4.294 3.289 -3.469
48 2HD PRO 6 2HD PRO 6 -4.516 4.915 -4.150
49 H GLU 7 H GLU 7 -6.185 1.566 -3.438
50 HA GLU 7 HA GLU 7 -7.848 -0.566 -4.563
51 1HB GLU 7 1HB GLU 7 -5.192 -0.553 -4.092
52 2HB GLU 7 2HB GLU 7 -5.760 -1.204 -2.561
53 1HG GLU 7 1HG GLU 7 -6.657 -2.353 -5.177
54 2HG GLU 7 2HG GLU 7 -5.142 -2.842 -4.422
55 H CYS 8 H CYS 8 -6.839 0.731 -1.385
56 HA CYS 8 HA CYS 8 -9.171 -0.619 -0.188
57 1HB CYS 8 1HB CYS 8 -8.016 -0.637 1.890
58 2HB CYS 8 2HB CYS 8 -6.879 -1.188 0.676
59 HG CYS 8 HG CYS 8 -6.560 1.765 1.219
60 HA PRO 9 HA PRO 9 -10.859 3.280 1.000
61 1HB PRO 9 1HB PRO 9 -12.201 2.682 3.231
62 2HB PRO 9 2HB PRO 9 -12.598 1.927 1.684
63 1HG PRO 9 1HG PRO 9 -11.140 0.805 4.020
64 2HG PRO 9 2HG PRO 9 -12.211 -0.006 2.867
65 1HD PRO 9 1HD PRO 9 -9.388 0.014 2.825
66 2HD PRO 9 2HD PRO 9 -10.457 -0.571 1.543
67 H LYS 10 H LYS 10 -8.025 2.799 2.217
68 HA LYS 10 HA LYS 10 -8.204 4.177 4.747
69 1HB LYS 10 1HB LYS 10 -5.720 3.530 3.148
70 2HB LYS 10 2HB LYS 10 -5.775 4.056 4.803
71 1HG LYS 10 1HG LYS 10 -7.071 1.981 5.342
72 2HG LYS 10 2HG LYS 10 -6.714 1.434 3.705
73 1HD LYS 10 1HD LYS 10 -4.241 2.069 4.452
74 2HD LYS 10 2HD LYS 10 -4.916 1.736 6.047
75 1HE LYS 10 1HE LYS 10 -5.713 -0.463 5.157
76 2HE LYS 10 2HE LYS 10 -4.816 -0.124 3.678
77 1HZ LYS 10 1HZ LYS 10 -3.660 -0.371 6.403
78 2HZ LYS 10 2HZ LYS 10 -2.785 0.012 5.007
79 3HZ LYS 10 3HZ LYS 10 -3.521 -1.504 5.154
80 H ARG 11 H ARG 11 -7.342 6.209 5.199
81 HA ARG 11 HA ARG 11 -6.805 7.989 2.938
82 1HB ARG 11 1HB ARG 11 -8.680 8.677 5.196
83 2HB ARG 11 2HB ARG 11 -8.272 9.693 3.830
84 1HG ARG 11 1HG ARG 11 -9.494 8.371 2.330
85 2HG ARG 11 2HG ARG 11 -9.598 7.029 3.471
86 1HD ARG 11 1HD ARG 11 -10.753 9.199 4.792
87 2HD ARG 11 2HD ARG 11 -11.343 9.307 3.135
88 HE ARG 11 HE ARG 11 -12.576 7.404 3.475
89 1HH1 ARG 11 1HH1 ARG 11 -10.281 7.736 6.102
90 2HH1 ARG 11 2HH1 ARG 11 -10.985 6.463 7.039
91 1HH2 ARG 11 1HH2 ARG 11 -13.497 5.728 4.717
92 2HH2 ARG 11 2HH2 ARG 11 -12.809 5.323 6.254
93 H PHE 12 H PHE 12 -5.231 9.471 3.323
94 HA PHE 12 HA PHE 12 -4.286 9.800 6.086
95 1HB PHE 12 1HB PHE 12 -2.460 9.328 3.754
96 2HB PHE 12 2HB PHE 12 -1.983 9.500 5.428
97 HD1 PHE 12 HD1 PHE 12 -4.428 7.388 3.540
98 HD2 PHE 12 HD2 PHE 12 -1.257 7.532 6.373
99 HE1 PHE 12 HE1 PHE 12 -4.551 4.962 3.784
100 HE2 PHE 12 HE2 PHE 12 -1.381 5.084 6.625
101 HZ PHE 12 HZ PHE 12 -3.030 3.797 5.312
102 H MET 13 H MET 13 -3.290 11.753 6.568
103 HA MET 13 HA MET 13 -4.067 13.969 4.931
104 1HB MET 13 1HB MET 13 -2.554 13.707 7.516
105 2HB MET 13 2HB MET 13 -2.684 15.257 6.696
106 1HG MET 13 1HG MET 13 -5.084 15.196 6.861
107 2HG MET 13 2HG MET 13 -5.028 13.576 7.554
108 1HE MET 13 1HE MET 13 -5.659 13.453 10.067
109 2HE MET 13 2HE MET 13 -4.419 14.026 11.184
110 3HE MET 13 3HE MET 13 -3.973 12.997 9.822
111 H ARG 14 H ARG 14 -1.145 12.115 5.376
112 HA ARG 14 HA ARG 14 0.411 14.039 3.804
113 1HB ARG 14 1HB ARG 14 1.209 11.629 5.437
114 2HB ARG 14 2HB ARG 14 2.334 12.496 4.404
115 1HG ARG 14 1HG ARG 14 2.276 14.407 5.731
116 2HG ARG 14 2HG ARG 14 0.776 13.923 6.524
117 1HD ARG 14 1HD ARG 14 2.400 13.524 8.141
118 2HD ARG 14 2HD ARG 14 2.133 11.933 7.423
119 HE ARG 14 HE ARG 14 4.183 12.718 5.979
120 1HH1 ARG 14 1HH1 ARG 14 3.704 13.123 9.429
121 2HH1 ARG 14 2HH1 ARG 14 5.398 13.106 9.786
122 1HH2 ARG 14 1HH2 ARG 14 6.407 12.691 6.463
123 2HH2 ARG 14 2HH2 ARG 14 6.931 12.860 8.105
124 H SER 15 H SER 15 1.753 13.236 2.045
125 HA SER 15 HA SER 15 0.304 11.275 0.446
126 1HB SER 15 1HB SER 15 0.674 12.866 -1.052
127 2HB SER 15 2HB SER 15 1.975 13.600 -0.120
128 HG SER 15 HG SER 15 3.402 12.483 -1.228
129 H ASP 16 H ASP 16 3.589 11.870 1.666
130 HA ASP 16 HA ASP 16 4.741 9.535 0.544
131 1HB ASP 16 1HB ASP 16 5.755 11.749 1.755
132 2HB ASP 16 2HB ASP 16 5.940 10.554 3.032
133 H HIS 17 H HIS 17 3.553 10.265 3.825
134 HA HIS 17 HA HIS 17 4.114 7.768 4.968
135 1HB HIS 17 1HB HIS 17 2.292 10.027 5.626
136 2HB HIS 17 2HB HIS 17 1.976 8.481 6.402
137 HD1 HIS 17 HD1 HIS 17 2.602 9.736 8.647
138 HD2 HIS 17 HD2 HIS 17 5.715 9.263 5.938
139 HE1 HIS 17 HE1 HIS 17 4.697 10.184 9.949
140 HE2 HIS 17 HE2 HIS 17 6.561 10.008 8.266
141 H LEU 18 H LEU 18 1.217 8.948 3.286
142 HA LEU 18 HA LEU 18 -0.418 6.714 3.671
143 1HB LEU 18 1HB LEU 18 -1.057 8.949 2.701
144 2HB LEU 18 2HB LEU 18 -0.341 8.428 1.197
145 HG LEU 18 HG LEU 18 -2.459 6.746 2.456
146 1HD1 LEU 18 1HD1 LEU 18 -2.788 9.454 1.394
147 2HD1 LEU 18 2HD1 LEU 18 -3.833 8.516 2.454
148 3HD1 LEU 18 3HD1 LEU 18 -3.880 8.248 0.714
149 1HD2 LEU 18 1HD2 LEU 18 -1.936 5.608 0.616
150 2HD2 LEU 18 2HD2 LEU 18 -1.107 6.985 -0.114
151 3HD2 LEU 18 3HD2 LEU 18 -2.860 6.845 -0.240
152 H THR 19 H THR 19 1.873 7.467 1.057
153 HA THR 19 HA THR 19 1.410 5.144 -0.434
154 HB THR 19 HB THR 19 3.947 6.791 -0.267
155 HG1 THR 19 HG1 THR 19 1.712 6.996 -2.002
156 1HG2 THR 19 1HG2 THR 19 3.008 4.818 -2.325
157 2HG2 THR 19 2HG2 THR 19 4.515 4.806 -1.408
158 3HG2 THR 19 3HG2 THR 19 4.243 6.037 -2.642
159 H LEU 20 H LEU 20 3.456 5.799 2.352
160 HA LEU 20 HA LEU 20 5.101 3.533 2.279
161 1HB LEU 20 1HB LEU 20 5.220 5.550 3.846
162 2HB LEU 20 2HB LEU 20 3.993 4.748 4.805
163 HG LEU 20 HG LEU 20 5.595 2.776 4.962
164 1HD1 LEU 20 1HD1 LEU 20 7.491 4.858 3.890
165 2HD1 LEU 20 2HD1 LEU 20 7.081 3.310 3.149
166 3HD1 LEU 20 3HD1 LEU 20 7.985 3.351 4.662
167 1HD2 LEU 20 1HD2 LEU 20 6.844 3.780 6.788
168 2HD2 LEU 20 2HD2 LEU 20 5.171 4.337 6.806
169 3HD2 LEU 20 3HD2 LEU 20 6.446 5.393 6.197
170 H HIS 21 H HIS 21 1.790 3.993 3.329
171 HA HIS 21 HA HIS 21 1.418 1.497 4.606
172 1HB HIS 21 1HB HIS 21 -0.525 2.493 5.120
173 2HB HIS 21 2HB HIS 21 -0.118 3.840 4.096
174 HD1 HIS 21 HD1 HIS 21 -2.280 4.341 2.923
175 HD2 HIS 21 HD2 HIS 21 -1.366 0.304 2.857
176 HE1 HIS 21 HE1 HIS 21 -4.108 3.210 1.598
177 H ILE 22 H ILE 22 0.659 2.677 1.378
178 HA ILE 22 HA ILE 22 -0.495 0.305 0.440
179 HB ILE 22 HB ILE 22 0.860 2.247 -1.408
180 1HG1 ILE 22 1HG1 ILE 22 -1.958 2.731 -0.670
181 2HG1 ILE 22 2HG1 ILE 22 -0.797 3.140 0.569
182 1HG2 ILE 22 1HG2 ILE 22 -0.475 0.006 -1.982
183 2HG2 ILE 22 2HG2 ILE 22 -0.543 1.438 -3.008
184 3HG2 ILE 22 3HG2 ILE 22 -1.841 1.116 -1.854
185 1HD1 ILE 22 1HD1 ILE 22 -1.529 4.574 -1.769
186 2HD1 ILE 22 2HD1 ILE 22 0.193 4.194 -1.827
187 3HD1 ILE 22 3HD1 ILE 22 -0.475 5.059 -0.442
188 H LEU 23 H LEU 23 2.697 0.692 1.288
189 HA LEU 23 HA LEU 23 4.007 -0.721 -0.790
190 1HB LEU 23 1HB LEU 23 4.666 0.260 1.877
191 2HB LEU 23 2HB LEU 23 5.421 -1.282 1.531
192 HG LEU 23 HG LEU 23 6.242 -0.183 -0.646
193 1HD1 LEU 23 1HD1 LEU 23 4.796 1.776 -0.572
194 2HD1 LEU 23 2HD1 LEU 23 6.496 2.247 -0.539
195 3HD1 LEU 23 3HD1 LEU 23 5.543 2.282 0.943
196 1HD2 LEU 23 1HD2 LEU 23 8.183 0.767 0.494
197 2HD2 LEU 23 2HD2 LEU 23 7.698 -0.763 1.223
198 3HD2 LEU 23 3HD2 LEU 23 7.296 0.759 2.019
199 H LEU 24 H LEU 24 2.204 -1.701 2.080
200 HA LEU 24 HA LEU 24 2.997 -4.456 1.924
201 1HB LEU 24 1HB LEU 24 0.848 -4.713 3.417
202 2HB LEU 24 2HB LEU 24 2.356 -4.100 4.053
203 HG LEU 24 HG LEU 24 1.426 -1.776 3.686
204 1HD1 LEU 24 1HD1 LEU 24 -1.120 -3.349 3.301
205 2HD1 LEU 24 2HD1 LEU 24 -0.354 -2.282 2.125
206 3HD1 LEU 24 3HD1 LEU 24 -1.042 -1.612 3.603
207 1HD2 LEU 24 1HD2 LEU 24 0.638 -1.754 5.815
208 2HD2 LEU 24 2HD2 LEU 24 1.428 -3.331 5.804
209 3HD2 LEU 24 3HD2 LEU 24 -0.320 -3.219 5.594
210 H HIS 25 H HIS 25 0.628 -2.568 0.284
211 HA HIS 25 HA HIS 25 -1.360 -4.451 -0.235
212 1HB HIS 25 1HB HIS 25 -0.460 -1.933 -1.477
213 2HB HIS 25 2HB HIS 25 -1.342 -3.017 -2.546
214 HD1 HIS 25 HD1 HIS 25 -3.722 -3.926 -1.262
215 HD2 HIS 25 HD2 HIS 25 -2.086 -0.263 -0.190
216 HE1 HIS 25 HE1 HIS 25 -5.581 -2.613 -0.155
217 H GLU 26 H GLU 26 1.847 -4.171 -1.605
218 HA GLU 26 HA GLU 26 1.625 -5.480 -4.006
219 1HB GLU 26 1HB GLU 26 3.943 -6.137 -3.765
220 2HB GLU 26 2HB GLU 26 3.722 -4.514 -3.132
221 1HG GLU 26 1HG GLU 26 3.698 -5.409 -0.855
222 2HG GLU 26 2HG GLU 26 3.931 -7.034 -1.497
223 H ASN 27 H ASN 27 1.710 -6.928 -0.774
224 HA ASN 27 HA ASN 27 1.553 -9.614 -1.874
225 1HB ASN 27 1HB ASN 27 2.890 -9.007 0.208
226 2HB ASN 27 2HB ASN 27 1.346 -8.833 1.036
227 1HD2 ASN 27 1HD2 ASN 27 3.704 -11.006 -0.166
228 2HD2 ASN 27 2HD2 ASN 27 2.944 -12.469 0.352
229 H LYS 28 H LYS 28 -0.340 -10.369 -2.544
230 HA LYS 28 HA LYS 28 -2.796 -9.440 -1.215
231 1HB LYS 28 1HB LYS 28 -3.981 -10.139 -3.252
232 2HB LYS 28 2HB LYS 28 -2.733 -8.952 -3.598
233 1HG LYS 28 1HG LYS 28 -1.809 -11.712 -3.828
234 2HG LYS 28 2HG LYS 28 -3.116 -11.302 -4.940
235 1HD LYS 28 1HD LYS 28 -0.862 -9.382 -4.664
236 2HD LYS 28 2HD LYS 28 -0.568 -10.880 -5.548
237 1HE LYS 28 1HE LYS 28 -2.979 -9.221 -6.167
238 2HE LYS 28 2HE LYS 28 -1.406 -8.763 -6.817
239 1HZ LYS 28 1HZ LYS 28 -2.622 -10.150 -8.367
240 2HZ LYS 28 2HZ LYS 28 -2.751 -11.383 -7.217
241 3HZ LYS 28 3HZ LYS 28 -1.235 -10.956 -7.831
242 H LYS 29 H LYS 29 -4.493 -10.962 -0.811
243 HA LYS 29 HA LYS 29 -5.408 -12.921 -0.122
244 1HB LYS 29 1HB LYS 29 -4.352 -13.777 -2.304
245 2HB LYS 29 2HB LYS 29 -3.077 -14.432 -1.286
246 1HG LYS 29 1HG LYS 29 -5.692 -15.148 -0.287
247 2HG LYS 29 2HG LYS 29 -5.471 -15.657 -1.963
248 1HD LYS 29 1HD LYS 29 -3.362 -16.186 0.104
249 2HD LYS 29 2HD LYS 29 -4.750 -17.261 -0.070
250 1HE LYS 29 1HE LYS 29 -4.126 -17.932 -2.200
251 2HE LYS 29 2HE LYS 29 -3.128 -16.503 -2.467
252 1HZ LYS 29 1HZ LYS 29 -1.776 -18.472 -2.123
253 2HZ LYS 29 2HZ LYS 29 -2.492 -18.737 -0.614
254 3HZ LYS 29 3HZ LYS 29 -1.533 -17.366 -0.866
Start of MODEL 2
1 H TYR 1 H TYR 1 -7.329 13.825 5.732
2 HA TYR 1 HA TYR 1 -7.400 11.859 4.625
3 1HB TYR 1 1HB TYR 1 -9.320 11.112 3.307
4 2HB TYR 1 2HB TYR 1 -9.820 11.499 4.947
5 HD1 TYR 1 HD1 TYR 1 -10.599 11.887 1.552
6 HD2 TYR 1 HD2 TYR 1 -10.736 13.977 5.256
7 HE1 TYR 1 HE1 TYR 1 -12.353 13.355 0.652
8 HE2 TYR 1 HE2 TYR 1 -12.489 15.452 4.364
9 HH TYR 1 HH TYR 1 -13.106 16.011 1.423
10 H LYS 2 H LYS 2 -5.799 13.590 3.891
11 HA LYS 2 HA LYS 2 -6.265 15.098 1.554
12 1HB LYS 2 1HB LYS 2 -3.860 14.247 3.086
13 2HB LYS 2 2HB LYS 2 -3.611 14.804 1.438
14 1HG LYS 2 1HG LYS 2 -3.360 16.753 2.608
15 2HG LYS 2 2HG LYS 2 -5.077 16.824 2.205
16 1HD LYS 2 1HD LYS 2 -5.456 15.681 4.471
17 2HD LYS 2 2HD LYS 2 -3.788 16.130 4.827
18 1HE LYS 2 1HE LYS 2 -4.757 18.005 5.628
19 2HE LYS 2 2HE LYS 2 -4.713 18.489 3.934
20 1HZ LYS 2 1HZ LYS 2 -6.987 17.666 3.695
21 2HZ LYS 2 2HZ LYS 2 -6.890 18.872 4.877
22 3HZ LYS 2 3HZ LYS 2 -7.022 17.249 5.334
23 H PHE 3 H PHE 3 -4.619 11.953 1.982
24 HA PHE 3 HA PHE 3 -4.865 11.511 -0.913
25 1HB PHE 3 1HB PHE 3 -2.838 10.800 1.097
26 2HB PHE 3 2HB PHE 3 -3.258 9.496 0.007
27 HD1 PHE 3 HD1 PHE 3 -1.695 9.258 -1.652
28 HD2 PHE 3 HD2 PHE 3 -2.812 13.177 -0.420
29 HE1 PHE 3 HE1 PHE 3 -0.223 10.216 -3.373
30 HE2 PHE 3 HE2 PHE 3 -1.343 14.140 -2.139
31 HZ PHE 3 HZ PHE 3 -0.046 12.660 -3.621
32 H ALA 4 H ALA 4 -5.246 9.216 -1.573
33 HA ALA 4 HA ALA 4 -6.758 7.596 0.315
34 1HB ALA 4 1HB ALA 4 -8.709 7.422 -1.156
35 2HB ALA 4 2HB ALA 4 -7.994 8.613 -2.242
36 3HB ALA 4 3HB ALA 4 -8.457 9.079 -0.605
37 H CYS 5 H CYS 5 -6.679 5.430 -0.131
38 HA CYS 5 HA CYS 5 -4.817 4.588 -2.172
39 1HB CYS 5 1HB CYS 5 -5.076 3.619 0.219
40 2HB CYS 5 2HB CYS 5 -6.424 2.717 -0.452
41 HG CYS 5 HG CYS 5 -4.727 1.076 -1.079
42 HA PRO 6 HA PRO 6 -7.957 3.631 -5.173
43 1HB PRO 6 1HB PRO 6 -6.443 2.283 -6.944
44 2HB PRO 6 2HB PRO 6 -6.293 4.031 -6.720
45 1HG PRO 6 1HG PRO 6 -4.583 1.827 -5.636
46 2HG PRO 6 2HG PRO 6 -4.095 3.385 -6.327
47 1HD PRO 6 1HD PRO 6 -4.233 2.895 -3.640
48 2HD PRO 6 2HD PRO 6 -4.443 4.506 -4.358
49 H GLU 7 H GLU 7 -6.190 1.254 -3.377
50 HA GLU 7 HA GLU 7 -7.869 -0.925 -4.386
51 1HB GLU 7 1HB GLU 7 -5.213 -0.916 -3.942
52 2HB GLU 7 2HB GLU 7 -5.767 -1.460 -2.365
53 1HG GLU 7 1HG GLU 7 -7.225 -3.020 -4.089
54 2HG GLU 7 2HG GLU 7 -5.671 -2.871 -4.908
55 H CYS 8 H CYS 8 -6.910 0.650 -1.332
56 HA CYS 8 HA CYS 8 -9.278 -0.579 -0.071
57 1HB CYS 8 1HB CYS 8 -8.119 -0.587 2.035
58 2HB CYS 8 2HB CYS 8 -7.100 -1.368 0.837
59 HG CYS 8 HG CYS 8 -6.469 1.584 1.407
60 HA PRO 9 HA PRO 9 -10.595 3.491 1.018
61 1HB PRO 9 1HB PRO 9 -12.129 3.023 3.147
62 2HB PRO 9 2HB PRO 9 -12.496 2.298 1.578
63 1HG PRO 9 1HG PRO 9 -11.289 1.062 4.002
64 2HG PRO 9 2HG PRO 9 -12.368 0.347 2.792
65 1HD PRO 9 1HD PRO 9 -9.554 0.103 2.906
66 2HD PRO 9 2HD PRO 9 -10.607 -0.392 1.570
67 H LYS 10 H LYS 10 -7.886 3.245 1.997
68 HA LYS 10 HA LYS 10 -7.994 4.290 4.716
69 1HB LYS 10 1HB LYS 10 -5.529 3.828 3.028
70 2HB LYS 10 2HB LYS 10 -5.596 4.118 4.741
71 1HG LYS 10 1HG LYS 10 -7.069 1.768 3.718
72 2HG LYS 10 2HG LYS 10 -5.305 1.695 3.749
73 1HD LYS 10 1HD LYS 10 -5.427 2.407 6.160
74 2HD LYS 10 2HD LYS 10 -7.173 2.174 6.065
75 1HE LYS 10 1HE LYS 10 -6.872 -0.160 5.526
76 2HE LYS 10 2HE LYS 10 -5.122 0.047 5.460
77 1HZ LYS 10 1HZ LYS 10 -5.136 0.588 7.817
78 2HZ LYS 10 2HZ LYS 10 -5.813 -0.938 7.551
79 3HZ LYS 10 3HZ LYS 10 -6.815 0.385 7.878
80 H ARG 11 H ARG 11 -7.080 6.297 5.299
81 HA ARG 11 HA ARG 11 -6.622 8.234 3.148
82 1HB ARG 11 1HB ARG 11 -8.084 9.887 4.299
83 2HB ARG 11 2HB ARG 11 -8.963 8.517 3.635
84 1HG ARG 11 1HG ARG 11 -8.688 7.550 6.050
85 2HG ARG 11 2HG ARG 11 -8.448 9.245 6.478
86 1HD ARG 11 1HD ARG 11 -10.589 9.799 5.405
87 2HD ARG 11 2HD ARG 11 -10.829 8.094 5.026
88 HE ARG 11 HE ARG 11 -10.475 8.103 7.716
89 1HH1 ARG 11 1HH1 ARG 11 -12.631 9.846 5.573
90 2HH1 ARG 11 2HH1 ARG 11 -13.891 9.978 6.752
91 1HH2 ARG 11 1HH2 ARG 11 -12.140 8.280 9.261
92 2HH2 ARG 11 2HH2 ARG 11 -13.614 9.091 8.845
93 H PHE 12 H PHE 12 -4.959 9.567 3.555
94 HA PHE 12 HA PHE 12 -4.059 9.879 6.339
95 1HB PHE 12 1HB PHE 12 -2.218 9.433 4.016
96 2HB PHE 12 2HB PHE 12 -1.759 9.543 5.698
97 HD1 PHE 12 HD1 PHE 12 -4.198 7.567 3.691
98 HD2 PHE 12 HD2 PHE 12 -1.131 7.523 6.632
99 HE1 PHE 12 HE1 PHE 12 -4.418 5.145 3.863
100 HE2 PHE 12 HE2 PHE 12 -1.352 5.073 6.813
101 HZ PHE 12 HZ PHE 12 -3.006 3.883 5.411
102 H MET 13 H MET 13 -3.074 11.817 6.865
103 HA MET 13 HA MET 13 -3.870 14.084 5.354
104 1HB MET 13 1HB MET 13 -2.064 13.756 7.746
105 2HB MET 13 2HB MET 13 -2.392 15.325 7.024
106 1HG MET 13 1HG MET 13 -4.776 15.028 7.453
107 2HG MET 13 2HG MET 13 -4.448 13.456 8.179
108 1HE MET 13 1HE MET 13 -4.672 13.262 10.572
109 2HE MET 13 2HE MET 13 -5.914 14.491 10.328
110 3HE MET 13 3HE MET 13 -4.781 14.636 11.672
111 H ARG 14 H ARG 14 -0.890 12.239 5.544
112 HA ARG 14 HA ARG 14 0.478 14.190 3.835
113 1HB ARG 14 1HB ARG 14 1.410 11.931 5.569
114 2HB ARG 14 2HB ARG 14 2.431 12.498 4.260
115 1HG ARG 14 1HG ARG 14 3.003 14.372 5.344
116 2HG ARG 14 2HG ARG 14 1.374 14.625 5.974
117 1HD ARG 14 1HD ARG 14 3.186 12.479 7.038
118 2HD ARG 14 2HD ARG 14 3.225 14.129 7.662
119 HE ARG 14 HE ARG 14 1.122 12.160 8.034
120 1HH1 ARG 14 1HH1 ARG 14 2.101 15.506 8.372
121 2HH1 ARG 14 2HH1 ARG 14 0.882 15.870 9.545
122 1HH2 ARG 14 1HH2 ARG 14 -0.483 12.648 9.576
123 2HH2 ARG 14 2HH2 ARG 14 -0.584 14.250 10.229
124 H SER 15 H SER 15 1.790 13.335 2.043
125 HA SER 15 HA SER 15 0.216 11.471 0.468
126 1HB SER 15 1HB SER 15 0.718 13.163 -0.918
127 2HB SER 15 2HB SER 15 2.230 13.559 -0.109
128 HG SER 15 HG SER 15 3.260 12.265 -1.429
129 H ASP 16 H ASP 16 3.549 11.821 1.642
130 HA ASP 16 HA ASP 16 4.474 9.363 0.561
131 1HB ASP 16 1HB ASP 16 6.498 9.789 1.686
132 2HB ASP 16 2HB ASP 16 5.867 11.386 1.311
133 H HIS 17 H HIS 17 2.880 10.244 3.547
134 HA HIS 17 HA HIS 17 3.510 7.905 5.014
135 1HB HIS 17 1HB HIS 17 1.453 10.060 5.263
136 2HB HIS 17 2HB HIS 17 1.282 8.596 6.217
137 HD1 HIS 17 HD1 HIS 17 1.708 9.842 8.415
138 HD2 HIS 17 HD2 HIS 17 4.828 10.131 5.689
139 HE1 HIS 17 HE1 HIS 17 3.628 10.815 9.693
140 HE2 HIS 17 HE2 HIS 17 5.471 11.093 8.002
141 H LEU 18 H LEU 18 0.522 8.825 3.254
142 HA LEU 18 HA LEU 18 -0.781 6.363 3.562
143 1HB LEU 18 1HB LEU 18 -1.819 8.481 2.759
144 2HB LEU 18 2HB LEU 18 -1.017 8.260 1.229
145 HG LEU 18 HG LEU 18 -2.833 6.126 2.281
146 1HD1 LEU 18 1HD1 LEU 18 -4.694 7.288 1.992
147 2HD1 LEU 18 2HD1 LEU 18 -4.150 7.881 0.425
148 3HD1 LEU 18 3HD1 LEU 18 -3.694 8.737 1.899
149 1HD2 LEU 18 1HD2 LEU 18 -3.212 6.192 -0.349
150 2HD2 LEU 18 2HD2 LEU 18 -1.902 5.286 0.410
151 3HD2 LEU 18 3HD2 LEU 18 -1.589 6.879 -0.285
152 H THR 19 H THR 19 1.423 7.561 1.062
153 HA THR 19 HA THR 19 1.238 5.361 -0.644
154 HB THR 19 HB THR 19 3.513 7.303 -0.200
155 HG1 THR 19 HG1 THR 19 2.015 8.487 -1.121
156 1HG2 THR 19 1HG2 THR 19 3.146 5.256 -2.365
157 2HG2 THR 19 2HG2 THR 19 4.535 5.491 -1.305
158 3HG2 THR 19 3HG2 THR 19 4.163 6.685 -2.550
159 H LEU 20 H LEU 20 3.131 5.922 2.266
160 HA LEU 20 HA LEU 20 4.910 3.732 1.998
161 1HB LEU 20 1HB LEU 20 5.135 5.668 3.596
162 2HB LEU 20 2HB LEU 20 3.874 4.937 4.567
163 HG LEU 20 HG LEU 20 5.382 2.888 4.729
164 1HD1 LEU 20 1HD1 LEU 20 6.890 3.356 2.913
165 2HD1 LEU 20 2HD1 LEU 20 7.793 3.346 4.427
166 3HD1 LEU 20 3HD1 LEU 20 7.375 4.878 3.660
167 1HD2 LEU 20 1HD2 LEU 20 6.661 3.833 6.558
168 2HD2 LEU 20 2HD2 LEU 20 5.023 4.486 6.561
169 3HD2 LEU 20 3HD2 LEU 20 6.360 5.463 5.956
170 H HIS 21 H HIS 21 1.678 4.088 3.333
171 HA HIS 21 HA HIS 21 1.423 1.587 4.567
172 1HB HIS 21 1HB HIS 21 -0.586 2.424 5.109
173 2HB HIS 21 2HB HIS 21 -0.135 3.874 4.257
174 HD1 HIS 21 HD1 HIS 21 -2.140 4.583 2.959
175 HD2 HIS 21 HD2 HIS 21 -1.543 0.499 2.747
176 HE1 HIS 21 HE1 HIS 21 -3.952 3.663 1.464
177 H ILE 22 H ILE 22 0.461 2.701 1.359
178 HA ILE 22 HA ILE 22 -0.813 0.440 0.460
179 HB ILE 22 HB ILE 22 0.832 2.137 -1.405
180 1HG1 ILE 22 1HG1 ILE 22 -2.000 2.824 -0.822
181 2HG1 ILE 22 2HG1 ILE 22 -0.823 3.294 0.384
182 1HG2 ILE 22 1HG2 ILE 22 -0.523 -0.001 -2.066
183 2HG2 ILE 22 2HG2 ILE 22 -0.634 1.454 -3.056
184 3HG2 ILE 22 3HG2 ILE 22 -1.914 1.075 -1.900
185 1HD1 ILE 22 1HD1 ILE 22 -1.379 4.402 -2.235
186 2HD1 ILE 22 2HD1 ILE 22 0.338 4.129 -1.938
187 3HD1 ILE 22 3HD1 ILE 22 -0.602 5.130 -0.831
188 H LEU 23 H LEU 23 2.543 0.706 1.095
189 HA LEU 23 HA LEU 23 3.644 -1.080 -0.740
190 1HB LEU 23 1HB LEU 23 4.316 -0.230 2.030
191 2HB LEU 23 2HB LEU 23 5.083 -1.690 1.437
192 HG LEU 23 HG LEU 23 5.197 0.773 -0.248
193 1HD1 LEU 23 1HD1 LEU 23 6.828 0.261 2.228
194 2HD1 LEU 23 2HD1 LEU 23 5.859 1.683 1.839
195 3HD1 LEU 23 3HD1 LEU 23 7.337 1.350 0.937
196 1HD2 LEU 23 1HD2 LEU 23 7.314 -0.191 -0.936
197 2HD2 LEU 23 2HD2 LEU 23 6.024 -1.382 -1.094
198 3HD2 LEU 23 3HD2 LEU 23 7.146 -1.472 0.264
199 H LEU 24 H LEU 24 1.642 -1.629 2.093
200 HA LEU 24 HA LEU 24 2.041 -4.326 2.594
201 1HB LEU 24 1HB LEU 24 -0.674 -3.008 2.594
202 2HB LEU 24 2HB LEU 24 -0.162 -4.384 3.548
203 HG LEU 24 HG LEU 24 1.361 -1.898 4.012
204 1HD1 LEU 24 1HD1 LEU 24 -1.426 -2.111 5.121
205 2HD1 LEU 24 2HD1 LEU 24 -1.056 -1.174 3.672
206 3HD1 LEU 24 3HD1 LEU 24 -0.309 -0.750 5.212
207 1HD2 LEU 24 1HD2 LEU 24 0.038 -3.885 5.855
208 2HD2 LEU 24 2HD2 LEU 24 1.190 -2.631 6.317
209 3HD2 LEU 24 3HD2 LEU 24 1.706 -3.970 5.291
210 H HIS 25 H HIS 25 -0.216 -2.830 0.287
211 HA HIS 25 HA HIS 25 -1.329 -5.182 -0.747
212 1HB HIS 25 1HB HIS 25 -0.900 -2.567 -2.211
213 2HB HIS 25 2HB HIS 25 -2.058 -3.822 -2.636
214 HD1 HIS 25 HD1 HIS 25 -3.885 -4.280 -0.542
215 HD2 HIS 25 HD2 HIS 25 -1.968 -0.600 -0.749
216 HE1 HIS 25 HE1 HIS 25 -5.268 -2.676 0.843
217 H GLU 26 H GLU 26 1.500 -3.311 -1.801
218 HA GLU 26 HA GLU 26 2.125 -4.757 -4.108
219 1HB GLU 26 1HB GLU 26 3.644 -3.008 -2.238
220 2HB GLU 26 2HB GLU 26 4.576 -4.016 -3.336
221 1HG GLU 26 1HG GLU 26 2.366 -2.250 -4.323
222 2HG GLU 26 2HG GLU 26 4.000 -1.639 -4.069
223 H ASN 27 H ASN 27 3.331 -5.194 -0.781
224 HA ASN 27 HA ASN 27 4.266 -7.881 -1.546
225 1HB ASN 27 1HB ASN 27 5.579 -7.668 0.680
226 2HB ASN 27 2HB ASN 27 6.153 -6.771 -0.719
227 1HD2 ASN 27 1HD2 ASN 27 6.397 -4.632 -0.551
228 2HD2 ASN 27 2HD2 ASN 27 5.882 -3.678 0.793
229 H LYS 28 H LYS 28 1.863 -8.322 -1.350
230 HA LYS 28 HA LYS 28 0.728 -8.431 1.282
231 1HB LYS 28 1HB LYS 28 -0.591 -8.153 -0.841
232 2HB LYS 28 2HB LYS 28 -0.240 -9.835 -1.213
233 1HG LYS 28 1HG LYS 28 -1.376 -9.420 1.451
234 2HG LYS 28 2HG LYS 28 -2.437 -8.938 0.126
235 1HD LYS 28 1HD LYS 28 -1.032 -11.582 0.056
236 2HD LYS 28 2HD LYS 28 -2.513 -11.385 0.994
237 1HE LYS 28 1HE LYS 28 -3.756 -10.784 -0.941
238 2HE LYS 28 2HE LYS 28 -2.293 -10.632 -1.913
239 1HZ LYS 28 1HZ LYS 28 -1.944 -13.015 -1.691
240 2HZ LYS 28 2HZ LYS 28 -3.452 -12.694 -2.385
241 3HZ LYS 28 3HZ LYS 28 -3.352 -13.159 -0.763
242 H LYS 29 H LYS 29 1.355 -9.846 2.764
243 HA LYS 29 HA LYS 29 1.526 -12.664 2.097
244 1HB LYS 29 1HB LYS 29 3.870 -11.226 2.077
245 2HB LYS 29 2HB LYS 29 3.830 -11.846 3.721
246 1HG LYS 29 1HG LYS 29 3.419 -13.622 1.336
247 2HG LYS 29 2HG LYS 29 5.021 -13.250 1.975
248 1HD LYS 29 1HD LYS 29 4.345 -14.139 4.162
249 2HD LYS 29 2HD LYS 29 2.755 -14.528 3.505
250 1HE LYS 29 1HE LYS 29 3.540 -16.493 2.835
251 2HE LYS 29 2HE LYS 29 4.656 -15.658 1.758
252 1HZ LYS 29 1HZ LYS 29 5.824 -17.156 3.242
253 2HZ LYS 29 2HZ LYS 29 5.190 -16.362 4.594
254 3HZ LYS 29 3HZ LYS 29 6.262 -15.555 3.565
Start of MODEL 3
1 H TYR 1 H TYR 1 -10.269 13.940 5.958
2 HA TYR 1 HA TYR 1 -8.481 13.028 4.828
3 1HB TYR 1 1HB TYR 1 -10.990 12.401 3.251
4 2HB TYR 1 2HB TYR 1 -9.598 11.348 3.470
5 HD1 TYR 1 HD1 TYR 1 -12.849 11.843 4.478
6 HD2 TYR 1 HD2 TYR 1 -9.010 11.046 6.129
7 HE1 TYR 1 HE1 TYR 1 -13.913 10.872 6.471
8 HE2 TYR 1 HE2 TYR 1 -10.063 10.072 8.125
9 HH TYR 1 HH TYR 1 -12.832 8.940 8.380
10 H LYS 2 H LYS 2 -6.921 13.518 3.432
11 HA LYS 2 HA LYS 2 -7.547 15.205 1.130
12 1HB LYS 2 1HB LYS 2 -5.201 14.782 2.839
13 2HB LYS 2 2HB LYS 2 -4.816 14.903 1.127
14 1HG LYS 2 1HG LYS 2 -6.605 16.976 1.577
15 2HG LYS 2 2HG LYS 2 -5.566 16.966 3.004
16 1HD LYS 2 1HD LYS 2 -3.715 17.557 1.827
17 2HD LYS 2 2HD LYS 2 -4.226 16.688 0.378
18 1HE LYS 2 1HE LYS 2 -5.896 18.455 -0.050
19 2HE LYS 2 2HE LYS 2 -5.298 19.333 1.356
20 1HZ LYS 2 1HZ LYS 2 -4.349 20.174 -0.706
21 2HZ LYS 2 2HZ LYS 2 -3.699 18.652 -1.054
22 3HZ LYS 2 3HZ LYS 2 -3.145 19.521 0.288
23 H PHE 3 H PHE 3 -5.410 12.383 1.712
24 HA PHE 3 HA PHE 3 -5.702 11.650 -1.098
25 1HB PHE 3 1HB PHE 3 -3.730 11.033 1.056
26 2HB PHE 3 2HB PHE 3 -3.929 9.891 -0.254
27 HD1 PHE 3 HD1 PHE 3 -3.427 13.540 0.288
28 HD2 PHE 3 HD2 PHE 3 -2.612 10.130 -2.127
29 HE1 PHE 3 HE1 PHE 3 -1.919 14.894 -1.109
30 HE2 PHE 3 HE2 PHE 3 -1.103 11.477 -3.527
31 HZ PHE 3 HZ PHE 3 -0.755 13.862 -3.018
32 H ALA 4 H ALA 4 -5.863 9.294 -1.596
33 HA ALA 4 HA ALA 4 -7.188 7.624 0.367
34 1HB ALA 4 1HB ALA 4 -9.058 8.930 -0.481
35 2HB ALA 4 2HB ALA 4 -9.187 7.251 -1.007
36 3HB ALA 4 3HB ALA 4 -8.636 8.489 -2.136
37 H CYS 5 H CYS 5 -6.819 5.490 -0.002
38 HA CYS 5 HA CYS 5 -4.968 4.752 -2.039
39 1HB CYS 5 1HB CYS 5 -5.327 3.711 0.322
40 2HB CYS 5 2HB CYS 5 -6.563 2.750 -0.471
41 HG CYS 5 HG CYS 5 -4.829 1.394 -1.598
42 HA PRO 6 HA PRO 6 -7.861 3.768 -5.265
43 1HB PRO 6 1HB PRO 6 -6.221 2.332 -6.867
44 2HB PRO 6 2HB PRO 6 -6.095 4.088 -6.708
45 1HG PRO 6 1HG PRO 6 -4.468 1.946 -5.394
46 2HG PRO 6 2HG PRO 6 -3.931 3.471 -6.122
47 1HD PRO 6 1HD PRO 6 -4.241 3.140 -3.444
48 2HD PRO 6 2HD PRO 6 -4.478 4.700 -4.258
49 H GLU 7 H GLU 7 -6.168 1.342 -3.408
50 HA GLU 7 HA GLU 7 -7.893 -0.787 -4.439
51 1HB GLU 7 1HB GLU 7 -5.281 -0.907 -4.041
52 2HB GLU 7 2HB GLU 7 -5.772 -1.277 -2.394
53 1HG GLU 7 1HG GLU 7 -6.819 -2.785 -4.770
54 2HG GLU 7 2HG GLU 7 -5.339 -3.238 -3.929
55 H CYS 8 H CYS 8 -6.880 0.635 -1.318
56 HA CYS 8 HA CYS 8 -9.290 -0.546 -0.097
57 1HB CYS 8 1HB CYS 8 -8.159 -0.547 2.004
58 2HB CYS 8 2HB CYS 8 -7.062 -1.240 0.822
59 HG CYS 8 HG CYS 8 -5.473 0.611 1.179
60 HA PRO 9 HA PRO 9 -10.702 3.506 0.958
61 1HB PRO 9 1HB PRO 9 -12.208 3.028 3.103
62 2HB PRO 9 2HB PRO 9 -12.567 2.265 1.549
63 1HG PRO 9 1HG PRO 9 -11.304 1.106 3.982
64 2HG PRO 9 2HG PRO 9 -12.375 0.340 2.798
65 1HD PRO 9 1HD PRO 9 -9.551 0.177 2.884
66 2HD PRO 9 2HD PRO 9 -10.603 -0.372 1.569
67 H LYS 10 H LYS 10 -7.961 3.156 2.024
68 HA LYS 10 HA LYS 10 -8.095 4.310 4.689
69 1HB LYS 10 1HB LYS 10 -5.646 3.738 3.017
70 2HB LYS 10 2HB LYS 10 -5.672 4.160 4.702
71 1HG LYS 10 1HG LYS 10 -7.267 1.800 4.031
72 2HG LYS 10 2HG LYS 10 -5.531 1.634 3.763
73 1HD LYS 10 1HD LYS 10 -6.487 2.817 6.327
74 2HD LYS 10 2HD LYS 10 -6.603 1.072 6.099
75 1HE LYS 10 1HE LYS 10 -4.021 2.108 5.279
76 2HE LYS 10 2HE LYS 10 -4.378 2.488 6.963
77 1HZ LYS 10 1HZ LYS 10 -4.513 -0.228 5.764
78 2HZ LYS 10 2HZ LYS 10 -4.771 0.159 7.390
79 3HZ LYS 10 3HZ LYS 10 -3.236 0.356 6.708
80 H ARG 11 H ARG 11 -7.216 6.312 5.241
81 HA ARG 11 HA ARG 11 -6.708 8.210 3.067
82 1HB ARG 11 1HB ARG 11 -8.520 8.773 5.413
83 2HB ARG 11 2HB ARG 11 -8.112 9.886 4.125
84 1HG ARG 11 1HG ARG 11 -9.695 9.084 2.784
85 2HG ARG 11 2HG ARG 11 -9.245 7.411 3.118
86 1HD ARG 11 1HD ARG 11 -10.406 8.203 5.474
87 2HD ARG 11 2HD ARG 11 -11.369 9.055 4.269
88 HE ARG 11 HE ARG 11 -11.218 6.496 3.331
89 1HH1 ARG 11 1HH1 ARG 11 -12.289 7.951 6.330
90 2HH1 ARG 11 2HH1 ARG 11 -13.465 6.723 6.649
91 1HH2 ARG 11 1HH2 ARG 11 -12.770 4.879 3.757
92 2HH2 ARG 11 2HH2 ARG 11 -13.738 4.977 5.190
93 H PHE 12 H PHE 12 -5.124 9.673 3.494
94 HA PHE 12 HA PHE 12 -4.105 9.870 6.239
95 1HB PHE 12 1HB PHE 12 -2.320 9.424 3.872
96 2HB PHE 12 2HB PHE 12 -1.822 9.530 5.546
97 HD1 PHE 12 HD1 PHE 12 -4.280 7.545 3.548
98 HD2 PHE 12 HD2 PHE 12 -1.204 7.524 6.488
99 HE1 PHE 12 HE1 PHE 12 -4.472 5.115 3.718
100 HE2 PHE 12 HE2 PHE 12 -1.397 5.075 6.664
101 HZ PHE 12 HZ PHE 12 -3.034 3.868 5.261
102 H MET 13 H MET 13 -2.943 11.753 6.726
103 HA MET 13 HA MET 13 -3.708 14.048 5.170
104 1HB MET 13 1HB MET 13 -2.175 13.672 7.732
105 2HB MET 13 2HB MET 13 -2.286 15.247 6.959
106 1HG MET 13 1HG MET 13 -4.535 15.453 7.383
107 2HG MET 13 2HG MET 13 -4.780 13.711 7.501
108 1HE MET 13 1HE MET 13 -5.590 13.846 11.127
109 2HE MET 13 2HE MET 13 -5.519 12.815 9.698
110 3HE MET 13 3HE MET 13 -6.355 14.367 9.625
111 H ARG 14 H ARG 14 -0.846 12.084 5.554
112 HA ARG 14 HA ARG 14 0.762 13.991 4.010
113 1HB ARG 14 1HB ARG 14 1.509 11.508 5.562
114 2HB ARG 14 2HB ARG 14 2.645 12.403 4.565
115 1HG ARG 14 1HG ARG 14 2.320 14.385 5.945
116 2HG ARG 14 2HG ARG 14 1.156 13.507 6.939
117 1HD ARG 14 1HD ARG 14 3.238 13.487 8.096
118 2HD ARG 14 2HD ARG 14 2.969 11.863 7.459
119 HE ARG 14 HE ARG 14 4.730 12.164 5.976
120 1HH1 ARG 14 1HH1 ARG 14 4.121 15.132 7.735
121 2HH1 ARG 14 2HH1 ARG 14 5.630 15.848 7.284
122 1HH2 ARG 14 1HH2 ARG 14 6.716 13.114 5.392
123 2HH2 ARG 14 2HH2 ARG 14 7.102 14.706 5.955
124 H SER 15 H SER 15 2.041 13.205 2.210
125 HA SER 15 HA SER 15 0.535 11.300 0.594
126 1HB SER 15 1HB SER 15 1.020 12.635 -1.090
127 2HB SER 15 2HB SER 15 1.842 13.719 0.027
128 HG SER 15 HG SER 15 3.736 12.970 -0.616
129 H ASP 16 H ASP 16 3.846 11.836 1.763
130 HA ASP 16 HA ASP 16 4.925 9.496 0.561
131 1HB ASP 16 1HB ASP 16 6.912 9.927 1.883
132 2HB ASP 16 2HB ASP 16 6.310 11.443 1.233
133 H HIS 17 H HIS 17 3.659 10.202 3.796
134 HA HIS 17 HA HIS 17 4.309 7.677 4.917
135 1HB HIS 17 1HB HIS 17 2.437 9.893 5.689
136 2HB HIS 17 2HB HIS 17 2.416 8.366 6.557
137 HD1 HIS 17 HD1 HIS 17 3.211 9.776 8.652
138 HD2 HIS 17 HD2 HIS 17 5.923 9.559 5.513
139 HE1 HIS 17 HE1 HIS 17 5.398 10.545 9.603
140 HE2 HIS 17 HE2 HIS 17 7.006 10.500 7.665
141 H LEU 18 H LEU 18 1.432 8.966 3.305
142 HA LEU 18 HA LEU 18 -0.285 6.793 3.735
143 1HB LEU 18 1HB LEU 18 -0.893 9.040 2.814
144 2HB LEU 18 2HB LEU 18 -0.185 8.558 1.294
145 HG LEU 18 HG LEU 18 -2.341 6.888 2.505
146 1HD1 LEU 18 1HD1 LEU 18 -3.546 8.819 2.582
147 2HD1 LEU 18 2HD1 LEU 18 -3.814 8.366 0.901
148 3HD1 LEU 18 3HD1 LEU 18 -2.604 9.584 1.308
149 1HD2 LEU 18 1HD2 LEU 18 -0.951 7.115 -0.037
150 2HD2 LEU 18 2HD2 LEU 18 -2.706 7.068 -0.203
151 3HD2 LEU 18 3HD2 LEU 18 -1.863 5.767 0.646
152 H THR 19 H THR 19 1.988 7.498 1.092
153 HA THR 19 HA THR 19 1.414 5.217 -0.426
154 HB THR 19 HB THR 19 4.007 6.775 -0.269
155 HG1 THR 19 HG1 THR 19 2.725 8.239 -1.077
156 1HG2 THR 19 1HG2 THR 19 4.499 4.774 -1.429
157 2HG2 THR 19 2HG2 THR 19 4.272 6.032 -2.646
158 3HG2 THR 19 3HG2 THR 19 2.993 4.856 -2.344
159 H LEU 20 H LEU 20 3.511 5.748 2.344
160 HA LEU 20 HA LEU 20 5.062 3.414 2.215
161 1HB LEU 20 1HB LEU 20 5.300 5.409 3.794
162 2HB LEU 20 2HB LEU 20 4.051 4.659 4.768
163 HG LEU 20 HG LEU 20 6.290 2.874 4.117
164 1HD1 LEU 20 1HD1 LEU 20 6.746 5.247 5.918
165 2HD1 LEU 20 2HD1 LEU 20 7.511 4.981 4.351
166 3HD1 LEU 20 3HD1 LEU 20 7.841 3.884 5.690
167 1HD2 LEU 20 1HD2 LEU 20 4.440 2.362 5.690
168 2HD2 LEU 20 2HD2 LEU 20 5.027 3.650 6.741
169 3HD2 LEU 20 3HD2 LEU 20 6.040 2.243 6.421
170 H HIS 21 H HIS 21 1.795 4.008 3.343
171 HA HIS 21 HA HIS 21 1.334 1.535 4.621
172 1HB HIS 21 1HB HIS 21 -0.591 2.565 5.128
173 2HB HIS 21 2HB HIS 21 -0.080 3.934 4.185
174 HD1 HIS 21 HD1 HIS 21 -2.057 4.650 2.841
175 HD2 HIS 21 HD2 HIS 21 -1.642 0.529 2.910
176 HE1 HIS 21 HE1 HIS 21 -3.949 3.711 1.456
177 H ILE 22 H ILE 22 0.620 2.709 1.381
178 HA ILE 22 HA ILE 22 -0.683 0.407 0.476
179 HB ILE 22 HB ILE 22 0.822 2.242 -1.371
180 1HG1 ILE 22 1HG1 ILE 22 -1.989 2.863 -0.685
181 2HG1 ILE 22 2HG1 ILE 22 -0.815 3.245 0.552
182 1HG2 ILE 22 1HG2 ILE 22 -0.527 1.446 -3.006
183 2HG2 ILE 22 2HG2 ILE 22 -1.915 1.295 -1.926
184 3HG2 ILE 22 3HG2 ILE 22 -0.659 0.058 -1.926
185 1HD1 ILE 22 1HD1 ILE 22 0.268 4.228 -1.808
186 2HD1 ILE 22 2HD1 ILE 22 -0.473 5.145 -0.496
187 3HD1 ILE 22 3HD1 ILE 22 -1.448 4.629 -1.870
188 H LEU 23 H LEU 23 2.537 0.598 1.321
189 HA LEU 23 HA LEU 23 3.755 -0.930 -0.724
190 1HB LEU 23 1HB LEU 23 4.454 -0.031 1.982
191 2HB LEU 23 2HB LEU 23 5.181 -1.558 1.528
192 HG LEU 23 HG LEU 23 6.064 -0.428 -0.540
193 1HD1 LEU 23 1HD1 LEU 23 4.555 1.444 -0.670
194 2HD1 LEU 23 2HD1 LEU 23 6.202 2.040 -0.463
195 3HD1 LEU 23 3HD1 LEU 23 5.089 2.031 0.906
196 1HD2 LEU 23 1HD2 LEU 23 7.462 -0.845 1.421
197 2HD2 LEU 23 2HD2 LEU 23 6.952 0.692 2.116
198 3HD2 LEU 23 3HD2 LEU 23 7.902 0.669 0.631
199 H LEU 24 H LEU 24 1.917 -1.794 2.176
200 HA LEU 24 HA LEU 24 2.590 -4.543 2.194
201 1HB LEU 24 1HB LEU 24 0.140 -4.663 3.274
202 2HB LEU 24 2HB LEU 24 1.581 -4.213 4.156
203 HG LEU 24 HG LEU 24 0.959 -1.800 3.667
204 1HD1 LEU 24 1HD1 LEU 24 -0.617 -1.941 1.925
205 2HD1 LEU 24 2HD1 LEU 24 -1.563 -1.535 3.355
206 3HD1 LEU 24 3HD1 LEU 24 -1.542 -3.193 2.753
207 1HD2 LEU 24 1HD2 LEU 24 -1.141 -3.116 5.307
208 2HD2 LEU 24 2HD2 LEU 24 -0.178 -1.677 5.647
209 3HD2 LEU 24 3HD2 LEU 24 0.554 -3.278 5.769
210 H HIS 25 H HIS 25 0.212 -2.740 0.350
211 HA HIS 25 HA HIS 25 -1.443 -4.823 -0.488
212 1HB HIS 25 1HB HIS 25 -0.653 -2.219 -1.777
213 2HB HIS 25 2HB HIS 25 -1.746 -3.340 -2.581
214 HD1 HIS 25 HD1 HIS 25 -3.824 -4.094 -0.727
215 HD2 HIS 25 HD2 HIS 25 -2.019 -0.365 -0.439
216 HE1 HIS 25 HE1 HIS 25 -5.425 -2.626 0.569
217 H GLU 26 H GLU 26 1.463 -3.516 -2.101
218 HA GLU 26 HA GLU 26 1.463 -5.447 -4.184
219 1HB GLU 26 1HB GLU 26 2.708 -3.110 -3.912
220 2HB GLU 26 2HB GLU 26 4.007 -4.142 -3.334
221 1HG GLU 26 1HG GLU 26 2.631 -4.418 -5.997
222 2HG GLU 26 2HG GLU 26 4.180 -3.622 -5.729
223 H ASN 27 H ASN 27 3.240 -5.193 -1.115
224 HA ASN 27 HA ASN 27 4.561 -7.731 -1.532
225 1HB ASN 27 1HB ASN 27 5.504 -5.670 -0.285
226 2HB ASN 27 2HB ASN 27 4.512 -6.208 1.066
227 1HD2 ASN 27 1HD2 ASN 27 7.233 -6.965 -0.980
228 2HD2 ASN 27 2HD2 ASN 27 7.910 -8.184 0.039
229 H LYS 28 H LYS 28 2.486 -8.892 -1.791
230 HA LYS 28 HA LYS 28 1.749 -10.159 0.691
231 1HB LYS 28 1HB LYS 28 0.252 -8.121 0.490
232 2HB LYS 28 2HB LYS 28 -0.455 -8.879 -0.929
233 1HG LYS 28 1HG LYS 28 -1.881 -9.328 0.914
234 2HG LYS 28 2HG LYS 28 -1.053 -10.832 0.506
235 1HD LYS 28 1HD LYS 28 0.579 -9.515 2.382
236 2HD LYS 28 2HD LYS 28 -1.073 -9.381 2.985
237 1HE LYS 28 1HE LYS 28 -0.302 -11.392 3.887
238 2HE LYS 28 2HE LYS 28 -1.256 -11.888 2.491
239 1HZ LYS 28 1HZ LYS 28 0.687 -12.307 1.250
240 2HZ LYS 28 2HZ LYS 28 0.962 -13.005 2.766
241 3HZ LYS 28 3HZ LYS 28 1.685 -11.528 2.373
242 H LYS 29 H LYS 29 2.875 -11.797 -0.618
243 HA LYS 29 HA LYS 29 0.990 -13.508 -1.929
244 1HB LYS 29 1HB LYS 29 2.407 -13.689 -4.045
245 2HB LYS 29 2HB LYS 29 1.385 -12.268 -3.890
246 1HG LYS 29 1HG LYS 29 4.085 -11.897 -2.832
247 2HG LYS 29 2HG LYS 29 4.030 -12.256 -4.558
248 1HD LYS 29 1HD LYS 29 2.205 -10.191 -3.389
249 2HD LYS 29 2HD LYS 29 3.883 -9.788 -3.752
250 1HE LYS 29 1HE LYS 29 3.591 -10.011 -6.018
251 2HE LYS 29 2HE LYS 29 2.257 -11.152 -5.841
252 1HZ LYS 29 1HZ LYS 29 0.846 -9.324 -5.112
253 2HZ LYS 29 2HZ LYS 29 1.478 -9.021 -6.650
254 3HZ LYS 29 3HZ LYS 29 2.126 -8.233 -5.301
Start of MODEL 4
1 H TYR 1 H TYR 1 -7.806 14.547 6.203
2 HA TYR 1 HA TYR 1 -6.549 12.130 5.081
3 1HB TYR 1 1HB TYR 1 -9.366 12.781 5.987
4 2HB TYR 1 2HB TYR 1 -8.916 11.313 5.128
5 HD1 TYR 1 HD1 TYR 1 -6.248 10.881 6.586
6 HD2 TYR 1 HD2 TYR 1 -10.168 11.772 7.980
7 HE1 TYR 1 HE1 TYR 1 -5.728 9.792 8.727
8 HE2 TYR 1 HE2 TYR 1 -9.657 10.686 10.126
9 HH TYR 1 HH TYR 1 -7.015 10.214 11.367
10 H LYS 2 H LYS 2 -5.835 13.724 3.388
11 HA LYS 2 HA LYS 2 -7.975 14.638 1.618
12 1HB LYS 2 1HB LYS 2 -5.021 15.187 1.765
13 2HB LYS 2 2HB LYS 2 -5.962 15.625 0.346
14 1HG LYS 2 1HG LYS 2 -7.239 16.539 2.770
15 2HG LYS 2 2HG LYS 2 -5.584 17.140 2.641
16 1HD LYS 2 1HD LYS 2 -6.607 17.457 0.087
17 2HD LYS 2 2HD LYS 2 -7.959 17.882 1.139
18 1HE LYS 2 1HE LYS 2 -6.845 19.904 0.858
19 2HE LYS 2 2HE LYS 2 -6.240 19.320 2.407
20 1HZ LYS 2 1HZ LYS 2 -4.842 19.024 -0.200
21 2HZ LYS 2 2HZ LYS 2 -4.254 18.520 1.305
22 3HZ LYS 2 3HZ LYS 2 -4.463 20.168 0.988
23 H PHE 3 H PHE 3 -5.239 12.397 1.658
24 HA PHE 3 HA PHE 3 -5.731 11.591 -1.086
25 1HB PHE 3 1HB PHE 3 -3.605 11.119 0.939
26 2HB PHE 3 2HB PHE 3 -3.846 9.887 -0.282
27 HD1 PHE 3 HD1 PHE 3 -2.835 10.102 -2.360
28 HD2 PHE 3 HD2 PHE 3 -3.304 13.540 0.104
29 HE1 PHE 3 HE1 PHE 3 -1.484 11.417 -3.942
30 HE2 PHE 3 HE2 PHE 3 -1.956 14.860 -1.475
31 HZ PHE 3 HZ PHE 3 -1.045 13.798 -3.501
32 H ALA 4 H ALA 4 -5.733 9.189 -1.546
33 HA ALA 4 HA ALA 4 -6.926 7.487 0.465
34 1HB ALA 4 1HB ALA 4 -8.880 8.699 -0.340
35 2HB ALA 4 2HB ALA 4 -8.952 7.005 -0.820
36 3HB ALA 4 3HB ALA 4 -8.498 8.235 -1.998
37 H CYS 5 H CYS 5 -6.841 5.286 -0.059
38 HA CYS 5 HA CYS 5 -4.878 4.608 -2.060
39 1HB CYS 5 1HB CYS 5 -5.138 3.559 0.281
40 2HB CYS 5 2HB CYS 5 -6.446 2.625 -0.428
41 HG CYS 5 HG CYS 5 -4.793 1.101 -1.375
42 HA PRO 6 HA PRO 6 -7.783 3.553 -5.251
43 1HB PRO 6 1HB PRO 6 -6.148 2.131 -6.865
44 2HB PRO 6 2HB PRO 6 -6.023 3.886 -6.703
45 1HG PRO 6 1HG PRO 6 -4.382 1.743 -5.412
46 2HG PRO 6 2HG PRO 6 -3.855 3.275 -6.133
47 1HD PRO 6 1HD PRO 6 -4.158 2.910 -3.450
48 2HD PRO 6 2HD PRO 6 -4.370 4.482 -4.249
49 H GLU 7 H GLU 7 -6.128 1.190 -3.315
50 HA GLU 7 HA GLU 7 -7.784 -0.987 -4.354
51 1HB GLU 7 1HB GLU 7 -5.203 -0.815 -2.876
52 2HB GLU 7 2HB GLU 7 -6.202 -2.234 -2.621
53 1HG GLU 7 1HG GLU 7 -4.757 -2.853 -4.330
54 2HG GLU 7 2HG GLU 7 -6.253 -2.438 -5.166
55 H CYS 8 H CYS 8 -6.856 0.551 -1.270
56 HA CYS 8 HA CYS 8 -9.265 -0.628 -0.045
57 1HB CYS 8 1HB CYS 8 -8.140 -0.537 2.086
58 2HB CYS 8 2HB CYS 8 -7.098 -1.353 0.931
59 HG CYS 8 HG CYS 8 -5.434 0.485 1.084
60 HA PRO 9 HA PRO 9 -10.669 3.455 0.889
61 1HB PRO 9 1HB PRO 9 -12.221 3.040 3.016
62 2HB PRO 9 2HB PRO 9 -12.560 2.254 1.471
63 1HG PRO 9 1HG PRO 9 -11.362 1.122 3.949
64 2HG PRO 9 2HG PRO 9 -12.418 0.349 2.757
65 1HD PRO 9 1HD PRO 9 -9.604 0.146 2.904
66 2HD PRO 9 2HD PRO 9 -10.636 -0.407 1.575
67 H LYS 10 H LYS 10 -7.960 3.123 1.990
68 HA LYS 10 HA LYS 10 -8.074 4.262 4.652
69 1HB LYS 10 1HB LYS 10 -5.666 3.754 2.892
70 2HB LYS 10 2HB LYS 10 -5.626 4.221 4.568
71 1HG LYS 10 1HG LYS 10 -7.079 1.743 3.792
72 2HG LYS 10 2HG LYS 10 -5.318 1.732 3.900
73 1HD LYS 10 1HD LYS 10 -5.353 2.289 6.191
74 2HD LYS 10 2HD LYS 10 -7.053 2.758 6.132
75 1HE LYS 10 1HE LYS 10 -7.485 0.308 5.475
76 2HE LYS 10 2HE LYS 10 -5.852 0.009 6.066
77 1HZ LYS 10 1HZ LYS 10 -7.483 -0.392 7.790
78 2HZ LYS 10 2HZ LYS 10 -8.083 1.183 7.639
79 3HZ LYS 10 3HZ LYS 10 -6.511 0.927 8.212
80 H ARG 11 H ARG 11 -7.035 6.267 5.200
81 HA ARG 11 HA ARG 11 -6.695 8.216 3.052
82 1HB ARG 11 1HB ARG 11 -8.130 9.858 4.346
83 2HB ARG 11 2HB ARG 11 -8.992 8.572 3.514
84 1HG ARG 11 1HG ARG 11 -9.013 7.332 5.715
85 2HG ARG 11 2HG ARG 11 -8.440 8.827 6.457
86 1HD ARG 11 1HD ARG 11 -10.681 9.125 6.722
87 2HD ARG 11 2HD ARG 11 -10.492 9.840 5.124
88 HE ARG 11 HE ARG 11 -11.708 7.260 5.759
89 1HH1 ARG 11 1HH1 ARG 11 -10.787 9.601 3.314
90 2HH1 ARG 11 2HH1 ARG 11 -11.777 8.886 2.089
91 1HH2 ARG 11 1HH2 ARG 11 -13.006 6.332 4.138
92 2HH2 ARG 11 2HH2 ARG 11 -13.037 7.033 2.555
93 H PHE 12 H PHE 12 -5.081 9.635 3.457
94 HA PHE 12 HA PHE 12 -4.143 9.924 6.228
95 1HB PHE 12 1HB PHE 12 -2.280 9.470 3.925
96 2HB PHE 12 2HB PHE 12 -1.856 9.547 5.620
97 HD1 PHE 12 HD1 PHE 12 -4.232 7.611 3.484
98 HD2 PHE 12 HD2 PHE 12 -1.298 7.523 6.565
99 HE1 PHE 12 HE1 PHE 12 -4.453 5.182 3.611
100 HE2 PHE 12 HE2 PHE 12 -1.521 5.072 6.696
101 HZ PHE 12 HZ PHE 12 -3.101 3.900 5.202
102 H MET 13 H MET 13 -2.903 11.803 6.661
103 HA MET 13 HA MET 13 -3.702 14.078 5.079
104 1HB MET 13 1HB MET 13 -1.991 13.876 7.565
105 2HB MET 13 2HB MET 13 -2.499 15.387 6.824
106 1HG MET 13 1HG MET 13 -4.865 14.665 7.173
107 2HG MET 13 2HG MET 13 -4.245 13.300 8.100
108 1HE MET 13 1HE MET 13 -5.179 16.959 7.981
109 2HE MET 13 2HE MET 13 -5.331 17.266 9.711
110 3HE MET 13 3HE MET 13 -6.258 15.966 8.960
111 H ARG 14 H ARG 14 -0.856 12.104 5.447
112 HA ARG 14 HA ARG 14 0.779 14.010 3.932
113 1HB ARG 14 1HB ARG 14 1.504 11.476 5.411
114 2HB ARG 14 2HB ARG 14 2.648 12.433 4.483
115 1HG ARG 14 1HG ARG 14 3.029 13.214 6.601
116 2HG ARG 14 2HG ARG 14 1.837 14.379 6.022
117 1HD ARG 14 1HD ARG 14 1.403 13.533 8.327
118 2HD ARG 14 2HD ARG 14 0.076 13.263 7.195
119 HE ARG 14 HE ARG 14 1.917 11.050 7.476
120 1HH1 ARG 14 1HH1 ARG 14 -1.048 12.513 8.627
121 2HH1 ARG 14 2HH1 ARG 14 -1.680 11.029 9.253
122 1HH2 ARG 14 1HH2 ARG 14 1.080 9.099 8.302
123 2HH2 ARG 14 2HH2 ARG 14 -0.472 9.091 9.071
124 H SER 15 H SER 15 2.082 13.205 2.138
125 HA SER 15 HA SER 15 0.544 11.348 0.492
126 1HB SER 15 1HB SER 15 0.928 12.963 -0.973
127 2HB SER 15 2HB SER 15 2.241 13.660 -0.027
128 HG SER 15 HG SER 15 3.652 12.562 -1.173
129 H ASP 16 H ASP 16 3.871 11.836 1.652
130 HA ASP 16 HA ASP 16 4.922 9.482 0.456
131 1HB ASP 16 1HB ASP 16 6.049 11.660 1.610
132 2HB ASP 16 2HB ASP 16 6.237 10.480 2.901
133 H HIS 17 H HIS 17 3.924 10.223 3.806
134 HA HIS 17 HA HIS 17 4.447 7.685 4.887
135 1HB HIS 17 1HB HIS 17 2.669 9.963 5.674
136 2HB HIS 17 2HB HIS 17 2.499 8.421 6.500
137 HD1 HIS 17 HD1 HIS 17 3.290 9.876 8.616
138 HD2 HIS 17 HD2 HIS 17 6.151 9.199 5.680
139 HE1 HIS 17 HE1 HIS 17 5.494 10.404 9.692
140 HE2 HIS 17 HE2 HIS 17 7.220 9.891 7.932
141 H LEU 18 H LEU 18 1.531 9.003 3.351
142 HA LEU 18 HA LEU 18 -0.188 6.846 3.804
143 1HB LEU 18 1HB LEU 18 -0.830 9.068 2.911
144 2HB LEU 18 2HB LEU 18 -0.091 8.649 1.389
145 HG LEU 18 HG LEU 18 -2.261 6.933 2.518
146 1HD1 LEU 18 1HD1 LEU 18 -3.421 8.914 2.598
147 2HD1 LEU 18 2HD1 LEU 18 -3.732 8.392 0.944
148 3HD1 LEU 18 3HD1 LEU 18 -2.508 9.622 1.268
149 1HD2 LEU 18 1HD2 LEU 18 -1.743 5.832 0.661
150 2HD2 LEU 18 2HD2 LEU 18 -0.791 7.177 0.027
151 3HD2 LEU 18 3HD2 LEU 18 -2.540 7.151 -0.203
152 H THR 19 H THR 19 2.040 7.506 1.112
153 HA THR 19 HA THR 19 1.412 5.245 -0.396
154 HB THR 19 HB THR 19 4.049 6.725 -0.246
155 HG1 THR 19 HG1 THR 19 2.804 8.222 -1.056
156 1HG2 THR 19 1HG2 THR 19 4.560 4.783 -1.426
157 2HG2 THR 19 2HG2 THR 19 4.192 5.973 -2.675
158 3HG2 THR 19 3HG2 THR 19 2.995 4.755 -2.237
159 H LEU 20 H LEU 20 3.549 5.703 2.355
160 HA LEU 20 HA LEU 20 5.027 3.328 2.220
161 1HB LEU 20 1HB LEU 20 5.387 5.271 3.789
162 2HB LEU 20 2HB LEU 20 4.049 4.667 4.744
163 HG LEU 20 HG LEU 20 5.867 2.513 4.362
164 1HD1 LEU 20 1HD1 LEU 20 7.561 4.206 3.868
165 2HD1 LEU 20 2HD1 LEU 20 7.878 3.401 5.404
166 3HD1 LEU 20 3HD1 LEU 20 7.187 5.023 5.384
167 1HD2 LEU 20 1HD2 LEU 20 5.961 2.562 6.787
168 2HD2 LEU 20 2HD2 LEU 20 4.308 2.825 6.235
169 3HD2 LEU 20 3HD2 LEU 20 5.275 4.186 6.801
170 H HIS 21 H HIS 21 1.795 4.011 3.427
171 HA HIS 21 HA HIS 21 1.271 1.552 4.682
172 1HB HIS 21 1HB HIS 21 -0.661 2.588 5.164
173 2HB HIS 21 2HB HIS 21 -0.081 3.974 4.285
174 HD1 HIS 21 HD1 HIS 21 -1.927 4.803 2.830
175 HD2 HIS 21 HD2 HIS 21 -1.781 0.670 2.924
176 HE1 HIS 21 HE1 HIS 21 -3.810 3.975 1.363
177 H ILE 22 H ILE 22 0.495 2.742 1.453
178 HA ILE 22 HA ILE 22 -0.893 0.548 0.520
179 HB ILE 22 HB ILE 22 0.839 2.253 -1.260
180 1HG1 ILE 22 1HG1 ILE 22 -1.999 2.954 -0.725
181 2HG1 ILE 22 2HG1 ILE 22 -0.849 3.351 0.530
182 1HG2 ILE 22 1HG2 ILE 22 -0.573 1.644 -2.984
183 2HG2 ILE 22 2HG2 ILE 22 -1.897 1.239 -1.890
184 3HG2 ILE 22 3HG2 ILE 22 -0.514 0.153 -2.042
185 1HD1 ILE 22 1HD1 ILE 22 -0.463 5.215 -0.570
186 2HD1 ILE 22 2HD1 ILE 22 -1.375 4.655 -1.969
187 3HD1 ILE 22 3HD1 ILE 22 0.333 4.244 -1.806
188 H LEU 23 H LEU 23 2.460 0.668 1.207
189 HA LEU 23 HA LEU 23 3.501 -1.135 -0.656
190 1HB LEU 23 1HB LEU 23 4.259 -0.150 1.994
191 2HB LEU 23 2HB LEU 23 4.802 -1.786 1.689
192 HG LEU 23 HG LEU 23 6.524 -0.152 1.115
193 1HD1 LEU 23 1HD1 LEU 23 6.222 -2.307 -0.160
194 2HD1 LEU 23 2HD1 LEU 23 7.132 -1.042 -0.986
195 3HD1 LEU 23 3HD1 LEU 23 5.452 -1.349 -1.425
196 1HD2 LEU 23 1HD2 LEU 23 4.987 1.697 0.529
197 2HD2 LEU 23 2HD2 LEU 23 4.597 0.858 -0.973
198 3HD2 LEU 23 3HD2 LEU 23 6.241 1.428 -0.682
199 H LEU 24 H LEU 24 1.388 -1.624 2.086
200 HA LEU 24 HA LEU 24 1.725 -4.329 2.630
201 1HB LEU 24 1HB LEU 24 -0.952 -2.939 2.499
202 2HB LEU 24 2HB LEU 24 -0.537 -4.342 3.460
203 HG LEU 24 HG LEU 24 1.030 -1.899 4.025
204 1HD1 LEU 24 1HD1 LEU 24 -0.666 -0.742 5.181
205 2HD1 LEU 24 2HD1 LEU 24 -1.803 -2.080 5.018
206 3HD1 LEU 24 3HD1 LEU 24 -1.359 -1.124 3.604
207 1HD2 LEU 24 1HD2 LEU 24 0.698 -2.668 6.325
208 2HD2 LEU 24 2HD2 LEU 24 1.332 -3.954 5.298
209 3HD2 LEU 24 3HD2 LEU 24 -0.374 -3.942 5.744
210 H HIS 25 H HIS 25 -0.347 -2.787 0.192
211 HA HIS 25 HA HIS 25 -1.311 -5.239 -0.906
212 1HB HIS 25 1HB HIS 25 -1.291 -2.628 -2.403
213 2HB HIS 25 2HB HIS 25 -2.476 -3.927 -2.470
214 HD1 HIS 25 HD1 HIS 25 -3.928 -4.179 -0.118
215 HD2 HIS 25 HD2 HIS 25 -1.995 -0.573 -0.831
216 HE1 HIS 25 HE1 HIS 25 -5.016 -2.475 1.405
217 H GLU 26 H GLU 26 1.346 -3.052 -1.682
218 HA GLU 26 HA GLU 26 2.037 -4.020 -4.205
219 1HB GLU 26 1HB GLU 26 3.891 -2.978 -2.052
220 2HB GLU 26 2HB GLU 26 4.284 -3.121 -3.759
221 1HG GLU 26 1HG GLU 26 2.226 -1.306 -2.524
222 2HG GLU 26 2HG GLU 26 3.767 -0.836 -3.238
223 H ASN 27 H ASN 27 3.487 -4.930 -1.069
224 HA ASN 27 HA ASN 27 3.676 -7.692 -1.883
225 1HB ASN 27 1HB ASN 27 5.996 -5.893 -2.015
226 2HB ASN 27 2HB ASN 27 6.281 -7.354 -1.075
227 1HD2 ASN 27 1HD2 ASN 27 5.603 -9.413 -2.156
228 2HD2 ASN 27 2HD2 ASN 27 5.907 -9.548 -3.851
229 H LYS 28 H LYS 28 3.311 -8.930 -0.161
230 HA LYS 28 HA LYS 28 4.379 -8.307 2.435
231 1HB LYS 28 1HB LYS 28 2.292 -6.885 2.228
232 2HB LYS 28 2HB LYS 28 1.373 -8.382 2.173
233 1HG LYS 28 1HG LYS 28 1.309 -8.386 4.382
234 2HG LYS 28 2HG LYS 28 3.064 -8.566 4.413
235 1HD LYS 28 1HD LYS 28 3.337 -6.154 4.385
236 2HD LYS 28 2HD LYS 28 1.591 -5.937 4.259
237 1HE LYS 28 1HE LYS 28 1.986 -5.607 6.520
238 2HE LYS 28 2HE LYS 28 1.497 -7.299 6.453
239 1HZ LYS 28 1HZ LYS 28 3.447 -6.962 7.857
240 2HZ LYS 28 2HZ LYS 28 4.306 -6.332 6.542
241 3HZ LYS 28 3HZ LYS 28 3.812 -7.950 6.532
242 H LYS 29 H LYS 29 5.053 -10.211 3.154
243 HA LYS 29 HA LYS 29 3.630 -12.643 2.337
244 1HB LYS 29 1HB LYS 29 6.429 -11.991 2.996
245 2HB LYS 29 2HB LYS 29 5.864 -13.532 3.627
246 1HG LYS 29 1HG LYS 29 4.979 -13.419 0.968
247 2HG LYS 29 2HG LYS 29 6.645 -12.835 0.960
248 1HD LYS 29 1HD LYS 29 6.897 -15.131 0.705
249 2HD LYS 29 2HD LYS 29 7.130 -14.902 2.438
250 1HE LYS 29 1HE LYS 29 5.676 -16.683 2.418
251 2HE LYS 29 2HE LYS 29 4.553 -15.331 2.545
252 1HZ LYS 29 1HZ LYS 29 4.169 -15.453 0.175
253 2HZ LYS 29 2HZ LYS 29 3.857 -16.958 0.882
254 3HZ LYS 29 3HZ LYS 29 5.290 -16.710 0.019
Start of MODEL 5
1 H TYR 1 H TYR 1 -9.789 15.460 3.517
2 HA TYR 1 HA TYR 1 -7.815 14.064 3.943
3 1HB TYR 1 1HB TYR 1 -9.933 11.897 3.968
4 2HB TYR 1 2HB TYR 1 -8.192 11.638 3.995
5 HD1 TYR 1 HD1 TYR 1 -6.887 12.503 6.010
6 HD2 TYR 1 HD2 TYR 1 -11.132 12.199 5.960
7 HE1 TYR 1 HE1 TYR 1 -6.916 12.577 8.467
8 HE2 TYR 1 HE2 TYR 1 -11.172 12.274 8.417
9 HH TYR 1 HH TYR 1 -9.256 13.365 10.260
10 H LYS 2 H LYS 2 -7.100 14.592 1.968
11 HA LYS 2 HA LYS 2 -8.687 13.946 -0.391
12 1HB LYS 2 1HB LYS 2 -6.691 15.930 0.283
13 2HB LYS 2 2HB LYS 2 -6.279 15.111 -1.217
14 1HG LYS 2 1HG LYS 2 -9.003 15.663 -1.423
15 2HG LYS 2 2HG LYS 2 -8.288 17.109 -0.707
16 1HD LYS 2 1HD LYS 2 -7.167 17.639 -2.590
17 2HD LYS 2 2HD LYS 2 -6.769 15.957 -2.945
18 1HE LYS 2 1HE LYS 2 -8.638 15.634 -4.195
19 2HE LYS 2 2HE LYS 2 -9.606 16.749 -3.235
20 1HZ LYS 2 1HZ LYS 2 -8.530 18.599 -4.317
21 2HZ LYS 2 2HZ LYS 2 -9.188 17.570 -5.487
22 3HZ LYS 2 3HZ LYS 2 -7.523 17.558 -5.193
23 H PHE 3 H PHE 3 -6.055 12.611 1.364
24 HA PHE 3 HA PHE 3 -4.949 11.201 -0.908
25 1HB PHE 3 1HB PHE 3 -4.213 10.745 1.974
26 2HB PHE 3 2HB PHE 3 -3.246 10.507 0.547
27 HD1 PHE 3 HD1 PHE 3 -2.016 12.286 -0.466
28 HD2 PHE 3 HD2 PHE 3 -4.559 13.018 2.865
29 HE1 PHE 3 HE1 PHE 3 -0.995 14.505 -0.177
30 HE2 PHE 3 HE2 PHE 3 -3.541 15.237 3.161
31 HZ PHE 3 HZ PHE 3 -1.756 15.984 1.638
32 H ALA 4 H ALA 4 -5.812 9.355 -1.592
33 HA ALA 4 HA ALA 4 -6.902 7.462 0.366
34 1HB ALA 4 1HB ALA 4 -8.347 8.347 -2.129
35 2HB ALA 4 2HB ALA 4 -8.829 8.671 -0.465
36 3HB ALA 4 3HB ALA 4 -8.845 7.019 -1.082
37 H CYS 5 H CYS 5 -6.768 5.293 -0.219
38 HA CYS 5 HA CYS 5 -4.733 4.688 -2.176
39 1HB CYS 5 1HB CYS 5 -4.941 3.583 0.100
40 2HB CYS 5 2HB CYS 5 -6.332 2.721 -0.535
41 HG CYS 5 HG CYS 5 -3.569 2.341 -1.885
42 HA PRO 6 HA PRO 6 -7.521 3.778 -5.511
43 1HB PRO 6 1HB PRO 6 -5.885 2.182 -6.996
44 2HB PRO 6 2HB PRO 6 -5.734 3.941 -6.935
45 1HG PRO 6 1HG PRO 6 -4.180 1.855 -5.456
46 2HG PRO 6 2HG PRO 6 -3.599 3.331 -6.250
47 1HD PRO 6 1HD PRO 6 -3.958 3.176 -3.579
48 2HD PRO 6 2HD PRO 6 -4.230 4.680 -4.486
49 H GLU 7 H GLU 7 -6.117 1.339 -3.472
50 HA GLU 7 HA GLU 7 -7.945 -0.700 -4.528
51 1HB GLU 7 1HB GLU 7 -5.344 -1.001 -4.106
52 2HB GLU 7 2HB GLU 7 -5.883 -1.328 -2.465
53 1HG GLU 7 1HG GLU 7 -7.143 -2.754 -4.765
54 2HG GLU 7 2HG GLU 7 -5.581 -3.279 -4.139
55 H CYS 8 H CYS 8 -6.822 0.674 -1.422
56 HA CYS 8 HA CYS 8 -9.332 -0.269 -0.200
57 1HB CYS 8 1HB CYS 8 -8.204 -0.293 1.925
58 2HB CYS 8 2HB CYS 8 -7.232 -1.180 0.765
59 HG CYS 8 HG CYS 8 -5.427 0.528 0.922
60 HA PRO 9 HA PRO 9 -10.361 3.921 0.790
61 1HB PRO 9 1HB PRO 9 -12.059 3.577 2.802
62 2HB PRO 9 2HB PRO 9 -12.370 2.839 1.227
63 1HG PRO 9 1HG PRO 9 -11.378 1.585 3.743
64 2HG PRO 9 2HG PRO 9 -12.445 0.915 2.499
65 1HD PRO 9 1HD PRO 9 -9.658 0.489 2.748
66 2HD PRO 9 2HD PRO 9 -10.682 0.035 1.373
67 H LYS 10 H LYS 10 -7.745 3.292 2.032
68 HA LYS 10 HA LYS 10 -7.892 4.246 4.747
69 1HB LYS 10 1HB LYS 10 -5.428 3.897 3.024
70 2HB LYS 10 2HB LYS 10 -5.466 4.121 4.750
71 1HG LYS 10 1HG LYS 10 -6.953 1.819 3.624
72 2HG LYS 10 2HG LYS 10 -5.191 1.740 3.692
73 1HD LYS 10 1HD LYS 10 -5.335 2.324 6.117
74 2HD LYS 10 2HD LYS 10 -7.091 2.183 5.992
75 1HE LYS 10 1HE LYS 10 -6.512 -0.168 4.981
76 2HE LYS 10 2HE LYS 10 -4.994 0.065 5.847
77 1HZ LYS 10 1HZ LYS 10 -6.269 0.402 7.886
78 2HZ LYS 10 2HZ LYS 10 -6.578 -1.117 7.211
79 3HZ LYS 10 3HZ LYS 10 -7.711 0.127 7.045
80 H ARG 11 H ARG 11 -6.862 6.169 5.524
81 HA ARG 11 HA ARG 11 -6.473 8.319 3.578
82 1HB ARG 11 1HB ARG 11 -7.889 9.863 4.838
83 2HB ARG 11 2HB ARG 11 -8.821 8.491 4.265
84 1HG ARG 11 1HG ARG 11 -7.692 8.471 7.031
85 2HG ARG 11 2HG ARG 11 -9.161 9.378 6.678
86 1HD ARG 11 1HD ARG 11 -10.276 7.476 6.991
87 2HD ARG 11 2HD ARG 11 -9.585 6.925 5.465
88 HE ARG 11 HE ARG 11 -7.832 6.463 7.673
89 1HH1 ARG 11 1HH1 ARG 11 -10.653 5.193 6.030
90 2HH1 ARG 11 2HH1 ARG 11 -10.364 3.565 6.537
91 1HH2 ARG 11 1HH2 ARG 11 -7.456 4.314 8.332
92 2HH2 ARG 11 2HH2 ARG 11 -8.551 3.064 7.843
93 H PHE 12 H PHE 12 -4.810 9.648 4.077
94 HA PHE 12 HA PHE 12 -3.754 9.570 6.823
95 1HB PHE 12 1HB PHE 12 -2.079 9.387 4.343
96 2HB PHE 12 2HB PHE 12 -1.484 9.343 5.986
97 HD1 PHE 12 HD1 PHE 12 -4.036 7.561 3.943
98 HD2 PHE 12 HD2 PHE 12 -0.854 7.247 6.741
99 HE1 PHE 12 HE1 PHE 12 -4.259 5.132 3.902
100 HE2 PHE 12 HE2 PHE 12 -1.076 4.792 6.709
101 HZ PHE 12 HZ PHE 12 -2.790 3.734 5.271
102 H MET 13 H MET 13 -2.618 11.406 7.515
103 HA MET 13 HA MET 13 -3.499 13.868 6.402
104 1HB MET 13 1HB MET 13 -1.539 13.158 8.573
105 2HB MET 13 2HB MET 13 -1.785 14.825 8.072
106 1HG MET 13 1HG MET 13 -4.011 14.832 8.801
107 2HG MET 13 2HG MET 13 -4.065 13.075 8.919
108 1HE MET 13 1HE MET 13 -2.615 11.703 10.789
109 2HE MET 13 2HE MET 13 -4.299 12.099 11.130
110 3HE MET 13 3HE MET 13 -3.077 12.285 12.389
111 H ARG 14 H ARG 14 -0.527 12.004 6.153
112 HA ARG 14 HA ARG 14 0.710 14.102 4.522
113 1HB ARG 14 1HB ARG 14 1.793 11.619 5.839
114 2HB ARG 14 2HB ARG 14 2.724 12.530 4.662
115 1HG ARG 14 1HG ARG 14 3.379 13.947 6.229
116 2HG ARG 14 2HG ARG 14 1.704 14.330 6.626
117 1HD ARG 14 1HD ARG 14 1.927 13.276 8.566
118 2HD ARG 14 2HD ARG 14 2.269 11.774 7.704
119 HE ARG 14 HE ARG 14 4.538 12.101 8.058
120 1HH1 ARG 14 1HH1 ARG 14 2.731 14.874 9.210
121 2HH1 ARG 14 2HH1 ARG 14 4.061 15.515 10.112
122 1HH2 ARG 14 1HH2 ARG 14 6.281 12.952 9.252
123 2HH2 ARG 14 2HH2 ARG 14 6.074 14.427 10.137
124 H SER 15 H SER 15 1.785 13.474 2.516
125 HA SER 15 HA SER 15 0.106 11.672 0.970
126 1HB SER 15 1HB SER 15 0.462 13.081 -0.685
127 2HB SER 15 2HB SER 15 1.393 14.094 0.412
128 HG SER 15 HG SER 15 3.214 13.364 -0.437
129 H ASP 16 H ASP 16 3.548 12.072 1.769
130 HA ASP 16 HA ASP 16 4.444 9.795 0.341
131 1HB ASP 16 1HB ASP 16 5.664 11.878 1.684
132 2HB ASP 16 2HB ASP 16 6.045 10.483 2.687
133 H HIS 17 H HIS 17 3.568 10.301 3.751
134 HA HIS 17 HA HIS 17 4.241 7.762 4.714
135 1HB HIS 17 1HB HIS 17 2.457 9.956 5.609
136 2HB HIS 17 2HB HIS 17 2.148 8.367 6.290
137 HD1 HIS 17 HD1 HIS 17 2.883 9.400 8.596
138 HD2 HIS 17 HD2 HIS 17 5.876 9.182 5.723
139 HE1 HIS 17 HE1 HIS 17 5.033 9.746 9.838
140 HE2 HIS 17 HE2 HIS 17 6.839 9.553 8.095
141 H LEU 18 H LEU 18 1.151 8.955 3.393
142 HA LEU 18 HA LEU 18 -0.352 6.629 3.722
143 1HB LEU 18 1HB LEU 18 -1.223 8.849 3.028
144 2HB LEU 18 2HB LEU 18 -0.532 8.600 1.447
145 HG LEU 18 HG LEU 18 -2.467 6.596 2.523
146 1HD1 LEU 18 1HD1 LEU 18 -3.613 8.735 0.885
147 2HD1 LEU 18 2HD1 LEU 18 -3.178 9.205 2.529
148 3HD1 LEU 18 3HD1 LEU 18 -4.294 7.866 2.257
149 1HD2 LEU 18 1HD2 LEU 18 -2.931 7.132 -0.151
150 2HD2 LEU 18 2HD2 LEU 18 -2.058 5.749 0.522
151 3HD2 LEU 18 3HD2 LEU 18 -1.176 7.194 0.018
152 H THR 19 H THR 19 1.664 7.677 0.989
153 HA THR 19 HA THR 19 1.153 5.481 -0.657
154 HB THR 19 HB THR 19 3.713 7.095 -0.538
155 HG1 THR 19 HG1 THR 19 1.306 7.607 -1.951
156 1HG2 THR 19 1HG2 THR 19 3.996 5.221 -1.997
157 2HG2 THR 19 2HG2 THR 19 3.793 6.676 -2.971
158 3HG2 THR 19 3HG2 THR 19 2.453 5.545 -2.786
159 H LEU 20 H LEU 20 3.388 5.931 2.019
160 HA LEU 20 HA LEU 20 5.001 3.650 1.595
161 1HB LEU 20 1HB LEU 20 5.368 5.618 3.207
162 2HB LEU 20 2HB LEU 20 4.296 4.766 4.302
163 HG LEU 20 HG LEU 20 6.493 3.116 3.270
164 1HD1 LEU 20 1HD1 LEU 20 7.099 5.460 5.067
165 2HD1 LEU 20 2HD1 LEU 20 7.672 5.244 3.413
166 3HD1 LEU 20 3HD1 LEU 20 8.202 4.139 4.681
167 1HD2 LEU 20 1HD2 LEU 20 5.501 3.740 6.051
168 2HD2 LEU 20 2HD2 LEU 20 6.627 2.455 5.609
169 3HD2 LEU 20 3HD2 LEU 20 4.959 2.400 5.039
170 H HIS 21 H HIS 21 1.885 4.150 3.129
171 HA HIS 21 HA HIS 21 1.584 1.697 4.438
172 1HB HIS 21 1HB HIS 21 -0.379 2.639 5.009
173 2HB HIS 21 2HB HIS 21 0.050 4.015 4.032
174 HD1 HIS 21 HD1 HIS 21 -2.035 4.648 2.789
175 HD2 HIS 21 HD2 HIS 21 -1.424 0.556 2.799
176 HE1 HIS 21 HE1 HIS 21 -3.912 3.627 1.437
177 H ILE 22 H ILE 22 0.533 2.743 1.253
178 HA ILE 22 HA ILE 22 -0.791 0.500 0.421
179 HB ILE 22 HB ILE 22 0.820 2.222 -1.454
180 1HG1 ILE 22 1HG1 ILE 22 -2.021 2.824 -0.803
181 2HG1 ILE 22 2HG1 ILE 22 -0.825 3.308 0.374
182 1HG2 ILE 22 1HG2 ILE 22 -0.747 1.615 -3.094
183 2HG2 ILE 22 2HG2 ILE 22 -1.883 0.996 -1.895
184 3HG2 ILE 22 3HG2 ILE 22 -0.399 0.108 -2.246
185 1HD1 ILE 22 1HD1 ILE 22 -1.461 4.414 -2.243
186 2HD1 ILE 22 2HD1 ILE 22 0.264 4.246 -1.918
187 3HD1 ILE 22 3HD1 ILE 22 -0.754 5.177 -0.820
188 H LEU 23 H LEU 23 2.584 0.666 0.965
189 HA LEU 23 HA LEU 23 3.551 -1.160 -0.924
190 1HB LEU 23 1HB LEU 23 4.465 -0.018 1.585
191 2HB LEU 23 2HB LEU 23 4.968 -1.687 1.418
192 HG LEU 23 HG LEU 23 5.460 0.327 -0.760
193 1HD1 LEU 23 1HD1 LEU 23 7.275 -0.339 1.554
194 2HD1 LEU 23 2HD1 LEU 23 6.462 1.203 1.285
195 3HD1 LEU 23 3HD1 LEU 23 7.699 0.649 0.156
196 1HD2 LEU 23 1HD2 LEU 23 5.673 -1.991 -1.407
197 2HD2 LEU 23 2HD2 LEU 23 6.724 -2.311 -0.027
198 3HD2 LEU 23 3HD2 LEU 23 7.272 -1.251 -1.326
199 H LEU 24 H LEU 24 1.698 -1.646 2.028
200 HA LEU 24 HA LEU 24 2.186 -4.357 2.487
201 1HB LEU 24 1HB LEU 24 -0.165 -4.381 3.465
202 2HB LEU 24 2HB LEU 24 0.999 -3.282 4.173
203 HG LEU 24 HG LEU 24 -0.206 -1.671 2.320
204 1HD1 LEU 24 1HD1 LEU 24 -2.408 -3.339 3.506
205 2HD1 LEU 24 2HD1 LEU 24 -1.851 -3.480 1.840
206 3HD1 LEU 24 3HD1 LEU 24 -2.564 -1.968 2.405
207 1HD2 LEU 24 1HD2 LEU 24 0.327 -1.315 4.759
208 2HD2 LEU 24 2HD2 LEU 24 -1.232 -2.058 5.119
209 3HD2 LEU 24 3HD2 LEU 24 -1.161 -0.567 4.179
210 H HIS 25 H HIS 25 -0.107 -2.830 0.264
211 HA HIS 25 HA HIS 25 -1.587 -5.062 -0.482
212 1HB HIS 25 1HB HIS 25 -0.799 -2.643 -2.114
213 2HB HIS 25 2HB HIS 25 -1.997 -3.829 -2.625
214 HD1 HIS 25 HD1 HIS 25 -4.130 -4.043 -0.892
215 HD2 HIS 25 HD2 HIS 25 -1.778 -0.630 -0.633
216 HE1 HIS 25 HE1 HIS 25 -5.498 -2.330 0.370
217 H GLU 26 H GLU 26 1.633 -4.087 -1.478
218 HA GLU 26 HA GLU 26 1.928 -5.604 -3.792
219 1HB GLU 26 1HB GLU 26 3.528 -3.894 -2.604
220 2HB GLU 26 2HB GLU 26 4.202 -5.338 -1.861
221 1HG GLU 26 1HG GLU 26 4.401 -6.231 -4.259
222 2HG GLU 26 2HG GLU 26 4.158 -4.556 -4.749
223 H ASN 27 H ASN 27 3.210 -6.541 -0.581
224 HA ASN 27 HA ASN 27 2.083 -9.101 -0.520
225 1HB ASN 27 1HB ASN 27 4.292 -10.385 -0.917
226 2HB ASN 27 2HB ASN 27 3.373 -9.859 -2.320
227 1HD2 ASN 27 1HD2 ASN 27 4.420 -8.763 -3.836
228 2HD2 ASN 27 2HD2 ASN 27 5.966 -8.015 -3.650
229 H LYS 28 H LYS 28 2.379 -10.040 1.446
230 HA LYS 28 HA LYS 28 4.640 -9.337 3.114
231 1HB LYS 28 1HB LYS 28 2.020 -8.080 3.434
232 2HB LYS 28 2HB LYS 28 2.569 -8.885 4.897
233 1HG LYS 28 1HG LYS 28 4.198 -6.870 3.367
234 2HG LYS 28 2HG LYS 28 3.184 -6.486 4.759
235 1HD LYS 28 1HD LYS 28 4.507 -8.147 6.081
236 2HD LYS 28 2HD LYS 28 5.590 -8.303 4.697
237 1HE LYS 28 1HE LYS 28 6.089 -5.905 4.831
238 2HE LYS 28 2HE LYS 28 5.018 -5.765 6.225
239 1HZ LYS 28 1HZ LYS 28 7.306 -5.933 6.929
240 2HZ LYS 28 2HZ LYS 28 7.504 -7.387 6.087
241 3HZ LYS 28 3HZ LYS 28 6.462 -7.316 7.417
242 H LYS 29 H LYS 29 5.240 -11.080 4.225
243 HA LYS 29 HA LYS 29 3.261 -13.222 4.639
244 1HB LYS 29 1HB LYS 29 6.232 -13.290 4.168
245 2HB LYS 29 2HB LYS 29 5.394 -14.655 4.894
246 1HG LYS 29 1HG LYS 29 3.828 -14.302 2.765
247 2HG LYS 29 2HG LYS 29 5.333 -13.646 2.117
248 1HD LYS 29 1HD LYS 29 6.443 -15.779 2.941
249 2HD LYS 29 2HD LYS 29 4.813 -16.410 3.186
250 1HE LYS 29 1HE LYS 29 5.196 -17.160 1.065
251 2HE LYS 29 2HE LYS 29 4.501 -15.584 0.697
252 1HZ LYS 29 1HZ LYS 29 6.490 -15.966 -0.597
253 2HZ LYS 29 2HZ LYS 29 7.399 -16.225 0.804
254 3HZ LYS 29 3HZ LYS 29 6.751 -14.695 0.490
Start of MODEL 6
1 H TYR 1 H TYR 1 -6.926 13.761 6.731
2 HA TYR 1 HA TYR 1 -6.657 11.173 5.355
3 1HB TYR 1 1HB TYR 1 -9.349 11.642 5.889
4 2HB TYR 1 2HB TYR 1 -8.311 10.495 6.718
5 HD1 TYR 1 HD1 TYR 1 -9.758 13.890 6.886
6 HD2 TYR 1 HD2 TYR 1 -7.648 10.844 8.979
7 HE1 TYR 1 HE1 TYR 1 -10.120 15.098 8.998
8 HE2 TYR 1 HE2 TYR 1 -8.005 12.043 11.095
9 HH TYR 1 HH TYR 1 -10.043 13.948 11.813
10 H LYS 2 H LYS 2 -5.822 13.218 3.923
11 HA LYS 2 HA LYS 2 -8.077 14.387 2.479
12 1HB LYS 2 1HB LYS 2 -5.894 15.623 3.246
13 2HB LYS 2 2HB LYS 2 -5.209 14.915 1.790
14 1HG LYS 2 1HG LYS 2 -5.918 17.032 1.129
15 2HG LYS 2 2HG LYS 2 -7.194 15.954 0.563
16 1HD LYS 2 1HD LYS 2 -8.712 16.723 2.091
17 2HD LYS 2 2HD LYS 2 -7.473 17.140 3.275
18 1HE LYS 2 1HE LYS 2 -8.151 19.228 2.592
19 2HE LYS 2 2HE LYS 2 -6.797 18.937 1.502
20 1HZ LYS 2 1HZ LYS 2 -8.723 19.808 0.327
21 2HZ LYS 2 2HZ LYS 2 -9.663 18.501 0.843
22 3HZ LYS 2 3HZ LYS 2 -8.359 18.244 -0.204
23 H PHE 3 H PHE 3 -5.397 12.136 2.013
24 HA PHE 3 HA PHE 3 -6.042 11.773 -0.795
25 1HB PHE 3 1HB PHE 3 -3.832 10.963 1.021
26 2HB PHE 3 2HB PHE 3 -4.172 9.916 -0.342
27 HD1 PHE 3 HD1 PHE 3 -4.207 10.971 -2.670
28 HD2 PHE 3 HD2 PHE 3 -2.554 12.885 0.753
29 HE1 PHE 3 HE1 PHE 3 -2.902 12.455 -4.136
30 HE2 PHE 3 HE2 PHE 3 -1.248 14.373 -0.706
31 HZ PHE 3 HZ PHE 3 -1.420 14.159 -3.154
32 H ALA 4 H ALA 4 -6.050 9.409 -1.566
33 HA ALA 4 HA ALA 4 -7.375 7.567 0.259
34 1HB ALA 4 1HB ALA 4 -9.428 7.622 -0.630
35 2HB ALA 4 2HB ALA 4 -8.810 7.724 -2.280
36 3HB ALA 4 3HB ALA 4 -8.948 9.182 -1.297
37 H CYS 5 H CYS 5 -6.949 5.459 -0.195
38 HA CYS 5 HA CYS 5 -4.971 4.894 -2.204
39 1HB CYS 5 1HB CYS 5 -5.179 3.827 0.137
40 2HB CYS 5 2HB CYS 5 -6.419 2.812 -0.582
41 HG CYS 5 HG CYS 5 -4.669 1.411 -1.545
42 HA PRO 6 HA PRO 6 -7.784 3.690 -5.425
43 1HB PRO 6 1HB PRO 6 -6.073 2.304 -6.998
44 2HB PRO 6 2HB PRO 6 -6.035 4.066 -6.873
45 1HG PRO 6 1HG PRO 6 -4.309 2.034 -5.511
46 2HG PRO 6 2HG PRO 6 -3.844 3.565 -6.275
47 1HD PRO 6 1HD PRO 6 -4.138 3.288 -3.591
48 2HD PRO 6 2HD PRO 6 -4.464 4.813 -4.442
49 H GLU 7 H GLU 7 -5.999 1.384 -3.509
50 HA GLU 7 HA GLU 7 -7.585 -0.856 -4.519
51 1HB GLU 7 1HB GLU 7 -4.999 -0.557 -3.114
52 2HB GLU 7 2HB GLU 7 -5.957 -1.957 -2.664
53 1HG GLU 7 1HG GLU 7 -5.967 -2.763 -4.909
54 2HG GLU 7 2HG GLU 7 -5.227 -1.274 -5.498
55 H CYS 8 H CYS 8 -6.748 0.738 -1.437
56 HA CYS 8 HA CYS 8 -9.131 -0.513 -0.230
57 1HB CYS 8 1HB CYS 8 -8.027 -0.403 1.903
58 2HB CYS 8 2HB CYS 8 -6.938 -1.164 0.753
59 HG CYS 8 HG CYS 8 -5.353 0.738 0.950
60 HA PRO 9 HA PRO 9 -10.636 3.534 0.739
61 1HB PRO 9 1HB PRO 9 -12.187 3.052 2.855
62 2HB PRO 9 2HB PRO 9 -12.508 2.286 1.296
63 1HG PRO 9 1HG PRO 9 -11.306 1.133 3.759
64 2HG PRO 9 2HG PRO 9 -12.328 0.359 2.537
65 1HD PRO 9 1HD PRO 9 -9.505 0.235 2.723
66 2HD PRO 9 2HD PRO 9 -10.506 -0.343 1.381
67 H LYS 10 H LYS 10 -7.925 3.191 1.849
68 HA LYS 10 HA LYS 10 -8.038 4.264 4.531
69 1HB LYS 10 1HB LYS 10 -5.682 3.760 2.703
70 2HB LYS 10 2HB LYS 10 -5.552 4.343 4.338
71 1HG LYS 10 1HG LYS 10 -6.947 1.771 3.721
72 2HG LYS 10 2HG LYS 10 -5.197 1.854 3.932
73 1HD LYS 10 1HD LYS 10 -7.092 2.961 5.985
74 2HD LYS 10 2HD LYS 10 -6.626 1.260 5.977
75 1HE LYS 10 1HE LYS 10 -4.858 1.861 7.191
76 2HE LYS 10 2HE LYS 10 -4.222 2.609 5.729
77 1HZ LYS 10 1HZ LYS 10 -5.386 4.672 6.393
78 2HZ LYS 10 2HZ LYS 10 -4.191 4.201 7.493
79 3HZ LYS 10 3HZ LYS 10 -5.822 3.933 7.851
80 H ARG 11 H ARG 11 -6.923 6.256 5.114
81 HA ARG 11 HA ARG 11 -6.686 8.290 3.042
82 1HB ARG 11 1HB ARG 11 -8.123 9.853 4.492
83 2HB ARG 11 2HB ARG 11 -8.957 8.660 3.506
84 1HG ARG 11 1HG ARG 11 -9.059 7.194 5.543
85 2HG ARG 11 2HG ARG 11 -8.462 8.571 6.471
86 1HD ARG 11 1HD ARG 11 -10.396 9.809 6.114
87 2HD ARG 11 2HD ARG 11 -10.864 8.855 4.707
88 HE ARG 11 HE ARG 11 -10.881 7.165 6.925
89 1HH1 ARG 11 1HH1 ARG 11 -12.628 9.965 5.752
90 2HH1 ARG 11 2HH1 ARG 11 -14.097 9.540 6.563
91 1HH2 ARG 11 1HH2 ARG 11 -12.818 6.610 7.988
92 2HH2 ARG 11 2HH2 ARG 11 -14.205 7.636 7.833
93 H PHE 12 H PHE 12 -5.051 9.666 3.464
94 HA PHE 12 HA PHE 12 -4.083 9.878 6.234
95 1HB PHE 12 1HB PHE 12 -2.258 9.546 3.882
96 2HB PHE 12 2HB PHE 12 -1.809 9.540 5.573
97 HD1 PHE 12 HD1 PHE 12 -4.169 7.700 3.339
98 HD2 PHE 12 HD2 PHE 12 -1.266 7.478 6.441
99 HE1 PHE 12 HE1 PHE 12 -4.376 5.264 3.345
100 HE2 PHE 12 HE2 PHE 12 -1.474 5.024 6.452
101 HZ PHE 12 HZ PHE 12 -3.030 3.915 4.889
102 H MET 13 H MET 13 -2.922 11.760 6.756
103 HA MET 13 HA MET 13 -3.733 14.095 5.286
104 1HB MET 13 1HB MET 13 -2.169 13.632 7.809
105 2HB MET 13 2HB MET 13 -2.236 15.229 7.080
106 1HG MET 13 1HG MET 13 -4.728 15.085 7.194
107 2HG MET 13 2HG MET 13 -4.537 13.595 8.117
108 1HE MET 13 1HE MET 13 -5.108 14.100 10.881
109 2HE MET 13 2HE MET 13 -3.510 14.504 11.508
110 3HE MET 13 3HE MET 13 -3.678 13.294 10.234
111 H ARG 14 H ARG 14 -0.839 12.159 5.569
112 HA ARG 14 HA ARG 14 0.719 14.120 4.045
113 1HB ARG 14 1HB ARG 14 1.499 11.625 5.553
114 2HB ARG 14 2HB ARG 14 2.618 12.509 4.527
115 1HG ARG 14 1HG ARG 14 2.505 14.433 5.918
116 2HG ARG 14 2HG ARG 14 1.160 13.758 6.842
117 1HD ARG 14 1HD ARG 14 3.150 13.518 8.145
118 2HD ARG 14 2HD ARG 14 2.674 11.917 7.572
119 HE ARG 14 HE ARG 14 4.427 12.614 5.700
120 1HH1 ARG 14 1HH1 ARG 14 4.645 12.897 9.186
121 2HH1 ARG 14 2HH1 ARG 14 6.368 12.740 9.211
122 1HH2 ARG 14 1HH2 ARG 14 6.694 12.406 5.744
123 2HH2 ARG 14 2HH2 ARG 14 7.532 12.462 7.259
124 H SER 15 H SER 15 2.000 13.373 2.218
125 HA SER 15 HA SER 15 0.485 11.498 0.574
126 1HB SER 15 1HB SER 15 1.018 12.779 -1.146
127 2HB SER 15 2HB SER 15 1.650 13.941 0.016
128 HG SER 15 HG SER 15 3.662 13.329 -0.437
129 H ASP 16 H ASP 16 3.794 12.005 1.758
130 HA ASP 16 HA ASP 16 4.896 9.719 0.483
131 1HB ASP 16 1HB ASP 16 5.925 11.875 1.869
132 2HB ASP 16 2HB ASP 16 6.229 10.526 2.958
133 H HIS 17 H HIS 17 3.824 10.306 3.833
134 HA HIS 17 HA HIS 17 4.375 7.746 4.830
135 1HB HIS 17 1HB HIS 17 2.629 10.006 5.662
136 2HB HIS 17 2HB HIS 17 2.288 8.429 6.361
137 HD1 HIS 17 HD1 HIS 17 3.006 9.599 8.642
138 HD2 HIS 17 HD2 HIS 17 6.035 9.073 5.848
139 HE1 HIS 17 HE1 HIS 17 5.148 9.902 9.911
140 HE2 HIS 17 HE2 HIS 17 6.963 9.718 8.176
141 H LEU 18 H LEU 18 1.450 9.056 3.297
142 HA LEU 18 HA LEU 18 -0.222 6.845 3.629
143 1HB LEU 18 1HB LEU 18 -0.911 9.074 2.813
144 2HB LEU 18 2HB LEU 18 -0.116 8.752 1.294
145 HG LEU 18 HG LEU 18 -2.282 6.944 2.293
146 1HD1 LEU 18 1HD1 LEU 18 -3.281 9.101 2.386
147 2HD1 LEU 18 2HD1 LEU 18 -3.842 8.313 0.911
148 3HD1 LEU 18 3HD1 LEU 18 -2.583 9.547 0.833
149 1HD2 LEU 18 1HD2 LEU 18 -2.479 7.164 -0.415
150 2HD2 LEU 18 2HD2 LEU 18 -1.609 5.891 0.448
151 3HD2 LEU 18 3HD2 LEU 18 -0.739 7.303 -0.157
152 H THR 19 H THR 19 1.998 7.665 0.968
153 HA THR 19 HA THR 19 1.443 5.427 -0.604
154 HB THR 19 HB THR 19 4.034 6.984 -0.416
155 HG1 THR 19 HG1 THR 19 2.755 8.476 -1.171
156 1HG2 THR 19 1HG2 THR 19 4.496 5.009 -1.647
157 2HG2 THR 19 2HG2 THR 19 4.297 6.322 -2.807
158 3HG2 THR 19 3HG2 THR 19 2.996 5.157 -2.563
159 H LEU 20 H LEU 20 3.567 5.873 2.160
160 HA LEU 20 HA LEU 20 5.122 3.549 1.938
161 1HB LEU 20 1HB LEU 20 5.389 5.479 3.578
162 2HB LEU 20 2HB LEU 20 4.122 4.734 4.528
163 HG LEU 20 HG LEU 20 6.434 4.265 5.327
164 1HD1 LEU 20 1HD1 LEU 20 4.297 2.698 5.458
165 2HD1 LEU 20 2HD1 LEU 20 5.861 2.220 6.118
166 3HD1 LEU 20 3HD1 LEU 20 5.351 1.626 4.538
167 1HD2 LEU 20 1HD2 LEU 20 7.890 2.815 4.140
168 2HD2 LEU 20 2HD2 LEU 20 7.407 4.085 3.016
169 3HD2 LEU 20 3HD2 LEU 20 6.668 2.487 2.912
170 H HIS 21 H HIS 21 1.954 4.129 3.393
171 HA HIS 21 HA HIS 21 1.441 1.671 4.549
172 1HB HIS 21 1HB HIS 21 -0.528 2.670 4.969
173 2HB HIS 21 2HB HIS 21 -0.008 4.028 4.012
174 HD1 HIS 21 HD1 HIS 21 -1.974 4.679 2.601
175 HD2 HIS 21 HD2 HIS 21 -1.444 0.578 2.718
176 HE1 HIS 21 HE1 HIS 21 -3.785 3.670 1.154
177 H ILE 22 H ILE 22 0.641 2.740 1.287
178 HA ILE 22 HA ILE 22 -0.640 0.497 0.376
179 HB ILE 22 HB ILE 22 1.093 2.198 -1.407
180 1HG1 ILE 22 1HG1 ILE 22 -1.774 2.834 -0.948
181 2HG1 ILE 22 2HG1 ILE 22 -0.661 3.298 0.316
182 1HG2 ILE 22 1HG2 ILE 22 -0.213 1.476 -3.151
183 2HG2 ILE 22 2HG2 ILE 22 -1.605 1.160 -2.113
184 3HG2 ILE 22 3HG2 ILE 22 -0.245 0.036 -2.135
185 1HD1 ILE 22 1HD1 ILE 22 0.593 4.211 -1.916
186 2HD1 ILE 22 2HD1 ILE 22 -0.440 5.163 -0.849
187 3HD1 ILE 22 3HD1 ILE 22 -1.109 4.443 -2.310
188 H LEU 23 H LEU 23 2.685 0.632 1.153
189 HA LEU 23 HA LEU 23 3.768 -1.188 -0.675
190 1HB LEU 23 1HB LEU 23 4.445 -0.285 2.065
191 2HB LEU 23 2HB LEU 23 5.131 -1.817 1.564
192 HG LEU 23 HG LEU 23 6.106 -0.672 -0.428
193 1HD1 LEU 23 1HD1 LEU 23 6.179 1.720 -0.538
194 2HD1 LEU 23 2HD1 LEU 23 5.300 1.864 0.984
195 3HD1 LEU 23 3HD1 LEU 23 4.491 1.220 -0.445
196 1HD2 LEU 23 1HD2 LEU 23 6.893 0.417 2.272
197 2HD2 LEU 23 2HD2 LEU 23 7.893 0.452 0.821
198 3HD2 LEU 23 3HD2 LEU 23 7.452 -1.092 1.551
199 H LEU 24 H LEU 24 1.704 -1.662 2.137
200 HA LEU 24 HA LEU 24 2.078 -4.422 2.517
201 1HB LEU 24 1HB LEU 24 -0.242 -4.371 3.508
202 2HB LEU 24 2HB LEU 24 0.938 -3.292 4.225
203 HG LEU 24 HG LEU 24 -0.232 -1.650 2.384
204 1HD1 LEU 24 1HD1 LEU 24 -2.493 -3.258 3.535
205 2HD1 LEU 24 2HD1 LEU 24 -1.894 -3.465 1.890
206 3HD1 LEU 24 3HD1 LEU 24 -2.580 -1.917 2.391
207 1HD2 LEU 24 1HD2 LEU 24 -1.122 -0.522 4.230
208 2HD2 LEU 24 2HD2 LEU 24 0.268 -1.397 4.873
209 3HD2 LEU 24 3HD2 LEU 24 -1.362 -2.016 5.137
210 H HIS 25 H HIS 25 0.070 -2.665 0.227
211 HA HIS 25 HA HIS 25 -1.641 -4.708 -0.578
212 1HB HIS 25 1HB HIS 25 -0.580 -2.273 -1.980
213 2HB HIS 25 2HB HIS 25 -1.652 -3.398 -2.807
214 HD1 HIS 25 HD1 HIS 25 -3.977 -3.878 -1.263
215 HD2 HIS 25 HD2 HIS 25 -1.919 -0.306 -0.751
216 HE1 HIS 25 HE1 HIS 25 -5.594 -2.275 -0.166
217 H GLU 26 H GLU 26 1.731 -4.198 -1.400
218 HA GLU 26 HA GLU 26 1.846 -5.759 -3.732
219 1HB GLU 26 1HB GLU 26 4.174 -5.688 -3.538
220 2HB GLU 26 2HB GLU 26 3.644 -4.217 -2.739
221 1HG GLU 26 1HG GLU 26 4.875 -4.808 -1.002
222 2HG GLU 26 2HG GLU 26 3.745 -6.128 -0.716
223 H ASN 27 H ASN 27 1.803 -6.664 -0.344
224 HA ASN 27 HA ASN 27 1.591 -9.475 -1.147
225 1HB ASN 27 1HB ASN 27 3.942 -8.863 -0.300
226 2HB ASN 27 2HB ASN 27 3.193 -8.678 1.281
227 1HD2 ASN 27 1HD2 ASN 27 5.161 -10.480 1.028
228 2HD2 ASN 27 2HD2 ASN 27 4.534 -12.088 1.079
229 H LYS 28 H LYS 28 -0.555 -9.659 -0.700
230 HA LYS 28 HA LYS 28 -1.653 -8.619 1.772
231 1HB LYS 28 1HB LYS 28 -2.709 -9.070 -0.733
232 2HB LYS 28 2HB LYS 28 -3.367 -10.405 0.202
233 1HG LYS 28 1HG LYS 28 -3.560 -7.531 1.065
234 2HG LYS 28 2HG LYS 28 -4.791 -8.343 0.098
235 1HD LYS 28 1HD LYS 28 -3.885 -9.619 2.637
236 2HD LYS 28 2HD LYS 28 -4.972 -8.233 2.725
237 1HE LYS 28 1HE LYS 28 -6.481 -9.961 2.647
238 2HE LYS 28 2HE LYS 28 -6.337 -9.569 0.934
239 1HZ LYS 28 1HZ LYS 28 -5.141 -11.462 0.510
240 2HZ LYS 28 2HZ LYS 28 -6.161 -12.019 1.738
241 3HZ LYS 28 3HZ LYS 28 -4.561 -11.606 2.093
242 H LYS 29 H LYS 29 -1.780 -9.706 3.614
243 HA LYS 29 HA LYS 29 -1.035 -12.506 3.695
244 1HB LYS 29 1HB LYS 29 -1.051 -12.242 6.127
245 2HB LYS 29 2HB LYS 29 -0.104 -10.975 5.361
246 1HG LYS 29 1HG LYS 29 -2.027 -9.440 5.603
247 2HG LYS 29 2HG LYS 29 -2.894 -10.713 6.465
248 1HD LYS 29 1HD LYS 29 -1.291 -10.705 8.236
249 2HD LYS 29 2HD LYS 29 -0.215 -9.638 7.330
250 1HE LYS 29 1HE LYS 29 -1.504 -7.779 7.723
251 2HE LYS 29 2HE LYS 29 -2.986 -8.715 7.917
252 1HZ LYS 29 1HZ LYS 29 -2.203 -7.770 10.015
253 2HZ LYS 29 2HZ LYS 29 -0.754 -8.631 9.876
254 3HZ LYS 29 3HZ LYS 29 -2.215 -9.461 10.066
Start of MODEL 7
1 H TYR 1 H TYR 1 -11.476 13.501 4.419
2 HA TYR 1 HA TYR 1 -9.087 13.751 4.775
3 1HB TYR 1 1HB TYR 1 -8.570 11.580 3.785
4 2HB TYR 1 2HB TYR 1 -10.207 11.577 4.428
5 HD1 TYR 1 HD1 TYR 1 -8.239 11.819 1.293
6 HD2 TYR 1 HD2 TYR 1 -12.053 11.092 3.032
7 HE1 TYR 1 HE1 TYR 1 -9.079 11.056 -0.886
8 HE2 TYR 1 HE2 TYR 1 -12.904 10.326 0.857
9 HH TYR 1 HH TYR 1 -11.382 9.269 -1.450
10 H LYS 2 H LYS 2 -6.988 13.309 3.553
11 HA LYS 2 HA LYS 2 -6.742 15.320 1.469
12 1HB LYS 2 1HB LYS 2 -5.130 15.303 3.322
13 2HB LYS 2 2HB LYS 2 -4.629 13.680 2.879
14 1HG LYS 2 1HG LYS 2 -2.971 14.905 1.906
15 2HG LYS 2 2HG LYS 2 -4.113 14.807 0.565
16 1HD LYS 2 1HD LYS 2 -4.493 17.017 0.586
17 2HD LYS 2 2HD LYS 2 -4.606 17.070 2.346
18 1HE LYS 2 1HE LYS 2 -1.924 16.665 1.130
19 2HE LYS 2 2HE LYS 2 -2.646 18.270 1.021
20 1HZ LYS 2 1HZ LYS 2 -2.866 18.316 3.414
21 2HZ LYS 2 2HZ LYS 2 -1.254 18.018 2.993
22 3HZ LYS 2 3HZ LYS 2 -2.232 16.751 3.541
23 H PHE 3 H PHE 3 -5.500 11.972 1.847
24 HA PHE 3 HA PHE 3 -5.878 11.622 -1.052
25 1HB PHE 3 1HB PHE 3 -3.569 11.090 0.695
26 2HB PHE 3 2HB PHE 3 -3.984 9.780 -0.393
27 HD1 PHE 3 HD1 PHE 3 -4.061 10.220 -2.863
28 HD2 PHE 3 HD2 PHE 3 -2.486 13.023 -0.075
29 HE1 PHE 3 HE1 PHE 3 -2.886 11.374 -4.692
30 HE2 PHE 3 HE2 PHE 3 -1.309 14.182 -1.898
31 HZ PHE 3 HZ PHE 3 -1.509 13.358 -4.211
32 H ALA 4 H ALA 4 -6.156 9.351 -1.734
33 HA ALA 4 HA ALA 4 -7.308 7.588 0.303
34 1HB ALA 4 1HB ALA 4 -9.118 7.106 -1.553
35 2HB ALA 4 2HB ALA 4 -8.743 8.764 -2.027
36 3HB ALA 4 3HB ALA 4 -9.322 8.422 -0.396
37 H CYS 5 H CYS 5 -7.004 5.422 -0.079
38 HA CYS 5 HA CYS 5 -5.045 4.722 -2.058
39 1HB CYS 5 1HB CYS 5 -5.256 3.737 0.296
40 2HB CYS 5 2HB CYS 5 -6.577 2.774 -0.345
41 HG CYS 5 HG CYS 5 -4.072 1.646 -0.408
42 HA PRO 6 HA PRO 6 -7.878 3.497 -5.250
43 1HB PRO 6 1HB PRO 6 -6.176 2.088 -6.804
44 2HB PRO 6 2HB PRO 6 -6.111 3.850 -6.688
45 1HG PRO 6 1HG PRO 6 -4.424 1.798 -5.307
46 2HG PRO 6 2HG PRO 6 -3.928 3.317 -6.077
47 1HD PRO 6 1HD PRO 6 -4.250 3.056 -3.391
48 2HD PRO 6 2HD PRO 6 -4.525 4.583 -4.255
49 H GLU 7 H GLU 7 -6.140 1.230 -3.260
50 HA GLU 7 HA GLU 7 -7.731 -1.018 -4.247
51 1HB GLU 7 1HB GLU 7 -5.138 -0.730 -2.831
52 2HB GLU 7 2HB GLU 7 -6.096 -2.149 -2.449
53 1HG GLU 7 1HG GLU 7 -4.611 -2.774 -4.169
54 2HG GLU 7 2HG GLU 7 -6.203 -2.622 -4.910
55 H CYS 8 H CYS 8 -6.848 0.598 -1.184
56 HA CYS 8 HA CYS 8 -9.230 -0.632 0.047
57 1HB CYS 8 1HB CYS 8 -8.116 -0.541 2.167
58 2HB CYS 8 2HB CYS 8 -7.024 -1.287 1.014
59 HG CYS 8 HG CYS 8 -5.421 0.563 1.302
60 HA PRO 9 HA PRO 9 -10.722 3.420 0.992
61 1HB PRO 9 1HB PRO 9 -12.222 2.981 3.153
62 2HB PRO 9 2HB PRO 9 -12.574 2.177 1.620
63 1HG PRO 9 1HG PRO 9 -11.299 1.090 4.079
64 2HG PRO 9 2HG PRO 9 -12.360 0.286 2.913
65 1HD PRO 9 1HD PRO 9 -9.540 0.151 3.006
66 2HD PRO 9 2HD PRO 9 -10.583 -0.435 1.700
67 H LYS 10 H LYS 10 -7.981 3.075 2.083
68 HA LYS 10 HA LYS 10 -8.068 4.266 4.718
69 1HB LYS 10 1HB LYS 10 -5.699 3.686 2.926
70 2HB LYS 10 2HB LYS 10 -5.602 4.253 4.568
71 1HG LYS 10 1HG LYS 10 -7.131 1.767 4.066
72 2HG LYS 10 2HG LYS 10 -5.371 1.702 3.970
73 1HD LYS 10 1HD LYS 10 -6.622 3.044 6.317
74 2HD LYS 10 2HD LYS 10 -6.643 1.281 6.244
75 1HE LYS 10 1HE LYS 10 -4.070 1.746 5.602
76 2HE LYS 10 2HE LYS 10 -4.384 3.143 6.631
77 1HZ LYS 10 1HZ LYS 10 -4.831 0.306 7.392
78 2HZ LYS 10 2HZ LYS 10 -5.118 1.649 8.380
79 3HZ LYS 10 3HZ LYS 10 -3.539 1.273 7.904
80 H ARG 11 H ARG 11 -6.966 6.273 5.213
81 HA ARG 11 HA ARG 11 -6.674 8.188 3.035
82 1HB ARG 11 1HB ARG 11 -8.104 9.856 4.243
83 2HB ARG 11 2HB ARG 11 -8.988 8.500 3.557
84 1HG ARG 11 1HG ARG 11 -8.846 7.447 5.873
85 2HG ARG 11 2HG ARG 11 -8.339 9.041 6.435
86 1HD ARG 11 1HD ARG 11 -10.568 9.302 6.732
87 2HD ARG 11 2HD ARG 11 -10.496 9.755 5.031
88 HE ARG 11 HE ARG 11 -10.882 6.993 5.168
89 1HH1 ARG 11 1HH1 ARG 11 -12.611 9.934 5.960
90 2HH1 ARG 11 2HH1 ARG 11 -14.172 9.222 5.734
91 1HH2 ARG 11 1HH2 ARG 11 -12.942 6.063 4.866
92 2HH2 ARG 11 2HH2 ARG 11 -14.361 7.025 5.112
93 H PHE 12 H PHE 12 -5.038 9.583 3.385
94 HA PHE 12 HA PHE 12 -4.072 9.967 6.132
95 1HB PHE 12 1HB PHE 12 -2.214 9.416 3.851
96 2HB PHE 12 2HB PHE 12 -1.803 9.515 5.546
97 HD1 PHE 12 HD1 PHE 12 -4.178 7.578 3.412
98 HD2 PHE 12 HD2 PHE 12 -1.293 7.500 6.537
99 HE1 PHE 12 HE1 PHE 12 -4.430 5.154 3.571
100 HE2 PHE 12 HE2 PHE 12 -1.546 5.056 6.703
101 HZ PHE 12 HZ PHE 12 -3.117 3.880 5.203
102 H MET 13 H MET 13 -3.124 11.926 6.565
103 HA MET 13 HA MET 13 -3.774 14.085 4.805
104 1HB MET 13 1HB MET 13 -2.293 13.952 7.429
105 2HB MET 13 2HB MET 13 -2.540 15.458 6.557
106 1HG MET 13 1HG MET 13 -4.606 15.661 7.324
107 2HG MET 13 2HG MET 13 -5.017 14.014 6.850
108 1HE MET 13 1HE MET 13 -2.927 16.059 9.288
109 2HE MET 13 2HE MET 13 -3.294 15.378 10.872
110 3HE MET 13 3HE MET 13 -4.511 16.325 10.016
111 H ARG 14 H ARG 14 -0.938 12.154 5.367
112 HA ARG 14 HA ARG 14 0.752 14.027 3.873
113 1HB ARG 14 1HB ARG 14 1.404 11.557 5.485
114 2HB ARG 14 2HB ARG 14 2.594 12.428 4.532
115 1HG ARG 14 1HG ARG 14 2.961 13.394 6.551
116 2HG ARG 14 2HG ARG 14 1.705 14.477 5.948
117 1HD ARG 14 1HD ARG 14 0.498 13.997 7.750
118 2HD ARG 14 2HD ARG 14 0.359 12.337 7.167
119 HE ARG 14 HE ARG 14 2.815 12.647 8.502
120 1HH1 ARG 14 1HH1 ARG 14 -0.615 12.524 9.185
121 2HH1 ARG 14 2HH1 ARG 14 -0.398 11.907 10.789
122 1HH2 ARG 14 1HH2 ARG 14 3.097 11.837 10.614
123 2HH2 ARG 14 2HH2 ARG 14 1.710 11.517 11.600
124 H SER 15 H SER 15 2.102 13.215 2.138
125 HA SER 15 HA SER 15 0.650 11.310 0.475
126 1HB SER 15 1HB SER 15 1.234 12.615 -1.198
127 2HB SER 15 2HB SER 15 2.020 13.701 -0.057
128 HG SER 15 HG SER 15 3.934 12.901 -0.588
129 H ASP 16 H ASP 16 3.910 11.791 1.804
130 HA ASP 16 HA ASP 16 5.006 9.426 0.670
131 1HB ASP 16 1HB ASP 16 6.064 11.613 1.927
132 2HB ASP 16 2HB ASP 16 6.235 10.374 3.164
133 H HIS 17 H HIS 17 3.796 10.197 3.932
134 HA HIS 17 HA HIS 17 4.255 7.682 5.085
135 1HB HIS 17 1HB HIS 17 2.415 9.959 5.702
136 2HB HIS 17 2HB HIS 17 2.185 8.428 6.534
137 HD1 HIS 17 HD1 HIS 17 2.800 10.066 8.633
138 HD2 HIS 17 HD2 HIS 17 5.891 9.051 6.049
139 HE1 HIS 17 HE1 HIS 17 4.917 10.572 9.886
140 HE2 HIS 17 HE2 HIS 17 6.776 9.878 8.333
141 H LEU 18 H LEU 18 1.414 8.974 3.384
142 HA LEU 18 HA LEU 18 -0.300 6.797 3.724
143 1HB LEU 18 1HB LEU 18 -0.869 9.043 2.784
144 2HB LEU 18 2HB LEU 18 -0.109 8.563 1.291
145 HG LEU 18 HG LEU 18 -2.317 6.905 2.424
146 1HD1 LEU 18 1HD1 LEU 18 -3.823 8.307 0.915
147 2HD1 LEU 18 2HD1 LEU 18 -2.553 9.528 1.009
148 3HD1 LEU 18 3HD1 LEU 18 -3.365 8.989 2.475
149 1HD2 LEU 18 1HD2 LEU 18 -0.838 7.122 -0.076
150 2HD2 LEU 18 2HD2 LEU 18 -2.587 7.044 -0.287
151 3HD2 LEU 18 3HD2 LEU 18 -1.746 5.767 0.600
152 H THR 19 H THR 19 2.028 7.498 1.127
153 HA THR 19 HA THR 19 1.506 5.217 -0.394
154 HB THR 19 HB THR 19 4.085 6.788 -0.155
155 HG1 THR 19 HG1 THR 19 2.803 8.219 -1.031
156 1HG2 THR 19 1HG2 THR 19 4.656 4.786 -1.269
157 2HG2 THR 19 2HG2 THR 19 4.445 6.016 -2.514
158 3HG2 THR 19 3HG2 THR 19 3.182 4.819 -2.234
159 H LEU 20 H LEU 20 3.522 5.728 2.439
160 HA LEU 20 HA LEU 20 5.063 3.383 2.338
161 1HB LEU 20 1HB LEU 20 5.314 5.361 3.915
162 2HB LEU 20 2HB LEU 20 4.011 4.667 4.858
163 HG LEU 20 HG LEU 20 5.469 2.560 5.008
164 1HD1 LEU 20 1HD1 LEU 20 7.879 2.955 4.796
165 2HD1 LEU 20 2HD1 LEU 20 7.551 4.554 4.130
166 3HD1 LEU 20 3HD1 LEU 20 7.044 3.111 3.250
167 1HD2 LEU 20 1HD2 LEU 20 6.399 5.094 6.353
168 2HD2 LEU 20 2HD2 LEU 20 6.697 3.449 6.912
169 3HD2 LEU 20 3HD2 LEU 20 5.053 4.085 6.879
170 H HIS 21 H HIS 21 1.789 4.008 3.453
171 HA HIS 21 HA HIS 21 1.281 1.541 4.708
172 1HB HIS 21 1HB HIS 21 -0.672 2.563 5.153
173 2HB HIS 21 2HB HIS 21 -0.111 3.943 4.252
174 HD1 HIS 21 HD1 HIS 21 -2.004 4.699 2.808
175 HD2 HIS 21 HD2 HIS 21 -1.669 0.577 2.878
176 HE1 HIS 21 HE1 HIS 21 -3.843 3.794 1.328
177 H ILE 22 H ILE 22 0.521 2.713 1.473
178 HA ILE 22 HA ILE 22 -0.784 0.493 0.507
179 HB ILE 22 HB ILE 22 0.957 2.228 -1.235
180 1HG1 ILE 22 1HG1 ILE 22 -1.900 2.888 -0.771
181 2HG1 ILE 22 2HG1 ILE 22 -0.794 3.298 0.518
182 1HG2 ILE 22 1HG2 ILE 22 -1.753 1.232 -1.957
183 2HG2 ILE 22 2HG2 ILE 22 -0.404 0.094 -2.003
184 3HG2 ILE 22 3HG2 ILE 22 -0.360 1.554 -2.991
185 1HD1 ILE 22 1HD1 ILE 22 -1.267 4.601 -1.991
186 2HD1 ILE 22 2HD1 ILE 22 0.441 4.213 -1.782
187 3HD1 ILE 22 3HD1 ILE 22 -0.402 5.170 -0.564
188 H LEU 23 H LEU 23 2.546 0.668 1.278
189 HA LEU 23 HA LEU 23 3.714 -1.054 -0.553
190 1HB LEU 23 1HB LEU 23 4.244 -0.283 2.244
191 2HB LEU 23 2HB LEU 23 4.923 -1.824 1.759
192 HG LEU 23 HG LEU 23 6.082 -0.698 -0.119
193 1HD1 LEU 23 1HD1 LEU 23 4.963 1.800 1.140
194 2HD1 LEU 23 2HD1 LEU 23 4.614 1.178 -0.472
195 3HD1 LEU 23 3HD1 LEU 23 6.231 1.768 -0.086
196 1HD2 LEU 23 1HD2 LEU 23 7.195 -1.075 2.044
197 2HD2 LEU 23 2HD2 LEU 23 6.661 0.518 2.579
198 3HD2 LEU 23 3HD2 LEU 23 7.786 0.373 1.229
199 H LEU 24 H LEU 24 1.542 -1.743 2.144
200 HA LEU 24 HA LEU 24 1.903 -4.514 2.337
201 1HB LEU 24 1HB LEU 24 -0.547 -4.537 3.071
202 2HB LEU 24 2HB LEU 24 0.587 -3.605 4.024
203 HG LEU 24 HG LEU 24 -0.359 -1.718 2.272
204 1HD1 LEU 24 1HD1 LEU 24 -2.733 -1.887 2.149
205 2HD1 LEU 24 2HD1 LEU 24 -2.726 -3.390 3.076
206 3HD1 LEU 24 3HD1 LEU 24 -2.042 -3.353 1.451
207 1HD2 LEU 24 1HD2 LEU 24 -1.614 -2.366 4.927
208 2HD2 LEU 24 2HD2 LEU 24 -1.440 -0.784 4.166
209 3HD2 LEU 24 3HD2 LEU 24 -0.017 -1.639 4.759
210 H HIS 25 H HIS 25 -0.125 -2.628 0.128
211 HA HIS 25 HA HIS 25 -1.464 -4.807 -1.074
212 1HB HIS 25 1HB HIS 25 -0.834 -2.071 -2.207
213 2HB HIS 25 2HB HIS 25 -1.964 -3.219 -2.913
214 HD1 HIS 25 HD1 HIS 25 -4.003 -3.904 -1.101
215 HD2 HIS 25 HD2 HIS 25 -2.001 -0.304 -0.584
216 HE1 HIS 25 HE1 HIS 25 -5.492 -2.465 0.350
217 H GLU 26 H GLU 26 1.539 -3.105 -1.909
218 HA GLU 26 HA GLU 26 2.061 -4.348 -4.356
219 1HB GLU 26 1HB GLU 26 3.872 -3.161 -2.262
220 2HB GLU 26 2HB GLU 26 4.510 -3.855 -3.745
221 1HG GLU 26 1HG GLU 26 4.113 -1.971 -4.825
222 2HG GLU 26 2HG GLU 26 2.399 -2.078 -4.429
223 H ASN 27 H ASN 27 2.996 -5.332 -1.063
224 HA ASN 27 HA ASN 27 4.305 -7.726 -1.998
225 1HB ASN 27 1HB ASN 27 5.040 -6.509 0.050
226 2HB ASN 27 2HB ASN 27 3.527 -6.964 0.827
227 1HD2 ASN 27 1HD2 ASN 27 6.446 -8.269 -0.665
228 2HD2 ASN 27 2HD2 ASN 27 6.473 -9.733 0.252
229 H LYS 28 H LYS 28 3.580 -9.840 -1.820
230 HA LYS 28 HA LYS 28 0.682 -10.126 -1.382
231 1HB LYS 28 1HB LYS 28 0.775 -12.082 -2.842
232 2HB LYS 28 2HB LYS 28 1.403 -10.658 -3.659
233 1HG LYS 28 1HG LYS 28 3.214 -11.818 -4.175
234 2HG LYS 28 2HG LYS 28 3.618 -11.887 -2.459
235 1HD LYS 28 1HD LYS 28 3.602 -14.127 -3.134
236 2HD LYS 28 2HD LYS 28 2.031 -13.899 -2.363
237 1HE LYS 28 1HE LYS 28 1.534 -15.068 -4.323
238 2HE LYS 28 2HE LYS 28 1.161 -13.392 -4.720
239 1HZ LYS 28 1HZ LYS 28 3.700 -14.772 -5.412
240 2HZ LYS 28 2HZ LYS 28 3.257 -13.203 -5.863
241 3HZ LYS 28 3HZ LYS 28 2.409 -14.530 -6.479
242 H LYS 29 H LYS 29 -0.128 -11.793 -0.132
243 HA LYS 29 HA LYS 29 1.798 -13.465 1.319
244 1HB LYS 29 1HB LYS 29 0.458 -13.047 3.423
245 2HB LYS 29 2HB LYS 29 1.441 -11.701 2.864
246 1HG LYS 29 1HG LYS 29 -0.332 -10.379 2.620
247 2HG LYS 29 2HG LYS 29 -1.254 -11.626 1.781
248 1HD LYS 29 1HD LYS 29 -0.852 -11.908 4.716
249 2HD LYS 29 2HD LYS 29 -1.999 -10.695 4.145
250 1HE LYS 29 1HE LYS 29 -3.328 -12.318 3.063
251 2HE LYS 29 2HE LYS 29 -2.074 -13.548 3.199
252 1HZ LYS 29 1HZ LYS 29 -2.403 -13.616 5.568
253 2HZ LYS 29 2HZ LYS 29 -3.887 -13.863 4.797
254 3HZ LYS 29 3HZ LYS 29 -3.539 -12.362 5.496
Start of MODEL 8
1 H TYR 1 H TYR 1 -7.147 14.017 5.915
2 HA TYR 1 HA TYR 1 -7.051 11.220 5.054
3 1HB TYR 1 1HB TYR 1 -9.472 11.098 5.353
4 2HB TYR 1 2HB TYR 1 -8.689 11.415 6.895
5 HD1 TYR 1 HD1 TYR 1 -11.144 12.530 4.531
6 HD2 TYR 1 HD2 TYR 1 -8.700 13.812 7.771
7 HE1 TYR 1 HE1 TYR 1 -12.610 14.475 4.858
8 HE2 TYR 1 HE2 TYR 1 -10.160 15.761 8.106
9 HH TYR 1 HH TYR 1 -12.013 17.041 6.112
10 H LYS 2 H LYS 2 -6.090 13.640 3.791
11 HA LYS 2 HA LYS 2 -8.060 14.576 1.940
12 1HB LYS 2 1HB LYS 2 -6.030 15.864 2.734
13 2HB LYS 2 2HB LYS 2 -5.065 14.839 1.682
14 1HG LYS 2 1HG LYS 2 -5.488 16.878 0.536
15 2HG LYS 2 2HG LYS 2 -6.453 15.619 -0.236
16 1HD LYS 2 1HD LYS 2 -8.273 16.858 0.078
17 2HD LYS 2 2HD LYS 2 -8.040 16.723 1.822
18 1HE LYS 2 1HE LYS 2 -6.656 18.704 1.829
19 2HE LYS 2 2HE LYS 2 -6.738 18.805 0.071
20 1HZ LYS 2 1HZ LYS 2 -9.054 19.066 1.914
21 2HZ LYS 2 2HZ LYS 2 -9.108 19.203 0.229
22 3HZ LYS 2 3HZ LYS 2 -8.266 20.351 1.143
23 H PHE 3 H PHE 3 -5.369 12.258 1.755
24 HA PHE 3 HA PHE 3 -6.006 11.647 -1.013
25 1HB PHE 3 1HB PHE 3 -3.761 11.090 0.836
26 2HB PHE 3 2HB PHE 3 -4.098 9.858 -0.363
27 HD1 PHE 3 HD1 PHE 3 -4.265 10.643 -2.822
28 HD2 PHE 3 HD2 PHE 3 -2.467 12.926 0.287
29 HE1 PHE 3 HE1 PHE 3 -3.018 11.942 -4.500
30 HE2 PHE 3 HE2 PHE 3 -1.218 14.227 -1.383
31 HZ PHE 3 HZ PHE 3 -1.492 13.737 -3.781
32 H ALA 4 H ALA 4 -6.022 9.261 -1.616
33 HA ALA 4 HA ALA 4 -7.206 7.488 0.355
34 1HB ALA 4 1HB ALA 4 -9.222 7.053 -0.936
35 2HB ALA 4 2HB ALA 4 -8.742 8.265 -2.124
36 3HB ALA 4 3HB ALA 4 -9.136 8.753 -0.475
37 H CYS 5 H CYS 5 -6.831 5.358 -0.081
38 HA CYS 5 HA CYS 5 -4.954 4.726 -2.143
39 1HB CYS 5 1HB CYS 5 -5.162 3.643 0.186
40 2HB CYS 5 2HB CYS 5 -6.464 2.692 -0.513
41 HG CYS 5 HG CYS 5 -3.623 2.535 -1.749
42 HA PRO 6 HA PRO 6 -7.844 3.671 -5.347
43 1HB PRO 6 1HB PRO 6 -6.187 2.256 -6.958
44 2HB PRO 6 2HB PRO 6 -6.106 4.015 -6.812
45 1HG PRO 6 1HG PRO 6 -4.408 1.926 -5.507
46 2HG PRO 6 2HG PRO 6 -3.922 3.464 -6.241
47 1HD PRO 6 1HD PRO 6 -4.195 3.125 -3.561
48 2HD PRO 6 2HD PRO 6 -4.482 4.678 -4.372
49 H GLU 7 H GLU 7 -6.209 1.320 -3.395
50 HA GLU 7 HA GLU 7 -7.874 -0.853 -4.455
51 1HB GLU 7 1HB GLU 7 -5.316 -1.049 -4.187
52 2HB GLU 7 2HB GLU 7 -5.641 -1.179 -2.465
53 1HG GLU 7 1HG GLU 7 -6.592 -3.244 -2.656
54 2HG GLU 7 2HG GLU 7 -7.123 -2.969 -4.314
55 H CYS 8 H CYS 8 -6.880 0.637 -1.366
56 HA CYS 8 HA CYS 8 -9.267 -0.556 -0.109
57 1HB CYS 8 1HB CYS 8 -8.115 -0.462 2.003
58 2HB CYS 8 2HB CYS 8 -7.076 -1.260 0.834
59 HG CYS 8 HG CYS 8 -5.417 0.566 1.022
60 HA PRO 9 HA PRO 9 -10.685 3.515 0.876
61 1HB PRO 9 1HB PRO 9 -12.197 3.065 3.030
62 2HB PRO 9 2HB PRO 9 -12.565 2.311 1.476
63 1HG PRO 9 1HG PRO 9 -11.345 1.127 3.915
64 2HG PRO 9 2HG PRO 9 -12.395 0.375 2.704
65 1HD PRO 9 1HD PRO 9 -9.571 0.204 2.851
66 2HD PRO 9 2HD PRO 9 -10.604 -0.359 1.526
67 H LYS 10 H LYS 10 -7.955 3.144 1.965
68 HA LYS 10 HA LYS 10 -8.045 4.263 4.631
69 1HB LYS 10 1HB LYS 10 -5.655 3.790 2.835
70 2HB LYS 10 2HB LYS 10 -5.597 4.236 4.517
71 1HG LYS 10 1HG LYS 10 -7.088 1.780 3.791
72 2HG LYS 10 2HG LYS 10 -5.324 1.741 3.751
73 1HD LYS 10 1HD LYS 10 -5.351 2.654 6.092
74 2HD LYS 10 2HD LYS 10 -7.098 2.401 6.097
75 1HE LYS 10 1HE LYS 10 -6.768 0.021 5.699
76 2HE LYS 10 2HE LYS 10 -5.022 0.260 5.633
77 1HZ LYS 10 1HZ LYS 10 -5.716 -0.571 7.788
78 2HZ LYS 10 2HZ LYS 10 -6.748 0.752 8.002
79 3HZ LYS 10 3HZ LYS 10 -5.074 0.987 7.940
80 H ARG 11 H ARG 11 -7.008 6.267 5.196
81 HA ARG 11 HA ARG 11 -6.722 8.251 3.071
82 1HB ARG 11 1HB ARG 11 -8.173 9.859 4.303
83 2HB ARG 11 2HB ARG 11 -9.049 8.482 3.651
84 1HG ARG 11 1HG ARG 11 -8.457 7.589 6.145
85 2HG ARG 11 2HG ARG 11 -8.646 9.320 6.431
86 1HD ARG 11 1HD ARG 11 -10.827 9.181 5.188
87 2HD ARG 11 2HD ARG 11 -10.642 7.429 5.203
88 HE ARG 11 HE ARG 11 -10.471 8.670 7.803
89 1HH1 ARG 11 1HH1 ARG 11 -12.614 7.257 5.418
90 2HH1 ARG 11 2HH1 ARG 11 -13.840 6.866 6.573
91 1HH2 ARG 11 1HH2 ARG 11 -12.093 8.154 9.318
92 2HH2 ARG 11 2HH2 ARG 11 -13.546 7.374 8.789
93 H PHE 12 H PHE 12 -5.084 9.642 3.458
94 HA PHE 12 HA PHE 12 -4.091 9.884 6.217
95 1HB PHE 12 1HB PHE 12 -2.307 9.490 3.841
96 2HB PHE 12 2HB PHE 12 -1.813 9.557 5.518
97 HD1 PHE 12 HD1 PHE 12 -4.241 7.623 3.445
98 HD2 PHE 12 HD2 PHE 12 -1.222 7.526 6.440
99 HE1 PHE 12 HE1 PHE 12 -4.443 5.193 3.555
100 HE2 PHE 12 HE2 PHE 12 -1.426 5.072 6.557
101 HZ PHE 12 HZ PHE 12 -3.042 3.904 5.097
102 H MET 13 H MET 13 -2.724 11.723 6.619
103 HA MET 13 HA MET 13 -3.579 14.054 5.110
104 1HB MET 13 1HB MET 13 -2.068 13.687 7.693
105 2HB MET 13 2HB MET 13 -2.246 15.263 6.935
106 1HG MET 13 1HG MET 13 -4.818 14.161 7.022
107 2HG MET 13 2HG MET 13 -4.086 13.816 8.588
108 1HE MET 13 1HE MET 13 -3.788 17.113 10.338
109 2HE MET 13 2HE MET 13 -2.504 16.070 9.725
110 3HE MET 13 3HE MET 13 -3.952 15.359 10.440
111 H ARG 14 H ARG 14 -0.745 12.063 5.469
112 HA ARG 14 HA ARG 14 0.922 14.028 4.071
113 1HB ARG 14 1HB ARG 14 1.520 11.553 5.663
114 2HB ARG 14 2HB ARG 14 2.704 12.176 4.527
115 1HG ARG 14 1HG ARG 14 3.165 12.971 6.765
116 2HG ARG 14 2HG ARG 14 2.728 14.313 5.708
117 1HD ARG 14 1HD ARG 14 1.669 14.521 7.902
118 2HD ARG 14 2HD ARG 14 0.470 14.318 6.623
119 HE ARG 14 HE ARG 14 -0.143 12.308 7.548
120 1HH1 ARG 14 1HH1 ARG 14 2.853 13.360 9.029
121 2HH1 ARG 14 2HH1 ARG 14 2.806 12.151 10.267
122 1HH2 ARG 14 1HH2 ARG 14 -0.197 10.722 9.183
123 2HH2 ARG 14 2HH2 ARG 14 1.075 10.654 10.355
124 H SER 15 H SER 15 2.328 13.228 2.325
125 HA SER 15 HA SER 15 0.802 11.507 0.523
126 1HB SER 15 1HB SER 15 1.502 12.809 -1.121
127 2HB SER 15 2HB SER 15 2.112 13.902 0.116
128 HG SER 15 HG SER 15 4.120 13.201 -0.225
129 H ASP 16 H ASP 16 4.027 11.781 1.964
130 HA ASP 16 HA ASP 16 5.022 9.423 0.670
131 1HB ASP 16 1HB ASP 16 7.028 9.752 1.937
132 2HB ASP 16 2HB ASP 16 6.467 11.336 1.423
133 H HIS 17 H HIS 17 3.615 10.159 3.826
134 HA HIS 17 HA HIS 17 4.162 7.635 5.013
135 1HB HIS 17 1HB HIS 17 2.190 9.827 5.628
136 2HB HIS 17 2HB HIS 17 2.199 8.319 6.528
137 HD1 HIS 17 HD1 HIS 17 2.782 9.886 8.603
138 HD2 HIS 17 HD2 HIS 17 5.717 9.582 5.682
139 HE1 HIS 17 HE1 HIS 17 4.877 10.767 9.664
140 HE2 HIS 17 HE2 HIS 17 6.625 10.652 7.855
141 H LEU 18 H LEU 18 1.338 8.970 3.318
142 HA LEU 18 HA LEU 18 -0.354 6.759 3.591
143 1HB LEU 18 1HB LEU 18 -0.953 9.049 2.755
144 2HB LEU 18 2HB LEU 18 -0.222 8.624 1.230
145 HG LEU 18 HG LEU 18 -2.393 6.914 2.359
146 1HD1 LEU 18 1HD1 LEU 18 -3.475 8.968 2.485
147 2HD1 LEU 18 2HD1 LEU 18 -3.927 8.353 0.896
148 3HD1 LEU 18 3HD1 LEU 18 -2.670 9.583 1.045
149 1HD2 LEU 18 1HD2 LEU 18 -1.813 5.834 0.498
150 2HD2 LEU 18 2HD2 LEU 18 -0.978 7.237 -0.175
151 3HD2 LEU 18 3HD2 LEU 18 -2.729 7.096 -0.330
152 H THR 19 H THR 19 1.949 7.617 1.017
153 HA THR 19 HA THR 19 1.456 5.383 -0.590
154 HB THR 19 HB THR 19 3.972 7.046 -0.318
155 HG1 THR 19 HG1 THR 19 2.639 8.417 -1.206
156 1HG2 THR 19 1HG2 THR 19 4.418 6.307 -2.665
157 2HG2 THR 19 2HG2 THR 19 3.194 5.058 -2.433
158 3HG2 THR 19 3HG2 THR 19 4.647 5.068 -1.433
159 H LEU 20 H LEU 20 3.469 5.855 2.243
160 HA LEU 20 HA LEU 20 5.067 3.547 2.077
161 1HB LEU 20 1HB LEU 20 5.124 5.564 3.730
162 2HB LEU 20 2HB LEU 20 4.000 4.615 4.678
163 HG LEU 20 HG LEU 20 6.237 4.323 5.527
164 1HD1 LEU 20 1HD1 LEU 20 6.261 2.015 5.722
165 2HD1 LEU 20 2HD1 LEU 20 5.681 1.769 4.075
166 3HD1 LEU 20 3HD1 LEU 20 4.579 2.363 5.318
167 1HD2 LEU 20 1HD2 LEU 20 7.012 3.232 2.829
168 2HD2 LEU 20 2HD2 LEU 20 8.054 3.463 4.234
169 3HD2 LEU 20 3HD2 LEU 20 7.394 4.861 3.387
170 H HIS 21 H HIS 21 1.852 4.120 3.416
171 HA HIS 21 HA HIS 21 1.338 1.638 4.557
172 1HB HIS 21 1HB HIS 21 -0.608 2.648 5.025
173 2HB HIS 21 2HB HIS 21 -0.067 4.030 4.116
174 HD1 HIS 21 HD1 HIS 21 -1.992 4.776 2.714
175 HD2 HIS 21 HD2 HIS 21 -1.622 0.657 2.756
176 HE1 HIS 21 HE1 HIS 21 -3.845 3.863 1.266
177 H ILE 22 H ILE 22 0.565 2.814 1.321
178 HA ILE 22 HA ILE 22 -0.771 0.606 0.367
179 HB ILE 22 HB ILE 22 0.949 2.352 -1.385
180 1HG1 ILE 22 1HG1 ILE 22 -1.910 2.980 -0.867
181 2HG1 ILE 22 2HG1 ILE 22 -0.779 3.399 0.397
182 1HG2 ILE 22 1HG2 ILE 22 -0.346 0.234 -2.209
183 2HG2 ILE 22 2HG2 ILE 22 -0.445 1.734 -3.129
184 3HG2 ILE 22 3HG2 ILE 22 -1.761 1.278 -2.044
185 1HD1 ILE 22 1HD1 ILE 22 -1.334 4.706 -2.090
186 2HD1 ILE 22 2HD1 ILE 22 0.383 4.335 -1.936
187 3HD1 ILE 22 3HD1 ILE 22 -0.434 5.277 -0.688
188 H LEU 23 H LEU 23 2.575 0.739 1.081
189 HA LEU 23 HA LEU 23 3.596 -1.085 -0.799
190 1HB LEU 23 1HB LEU 23 4.423 -0.026 1.809
191 2HB LEU 23 2HB LEU 23 5.002 -1.649 1.494
192 HG LEU 23 HG LEU 23 5.821 -0.672 -0.767
193 1HD1 LEU 23 1HD1 LEU 23 4.632 1.467 -0.550
194 2HD1 LEU 23 2HD1 LEU 23 6.374 1.687 -0.717
195 3HD1 LEU 23 3HD1 LEU 23 5.611 1.855 0.864
196 1HD2 LEU 23 1HD2 LEU 23 7.236 -1.452 1.120
197 2HD2 LEU 23 2HD2 LEU 23 7.187 0.183 1.780
198 3HD2 LEU 23 3HD2 LEU 23 7.939 -0.113 0.214
199 H LEU 24 H LEU 24 1.576 -1.517 2.015
200 HA LEU 24 HA LEU 24 1.975 -4.208 2.624
201 1HB LEU 24 1HB LEU 24 -0.719 -2.846 2.614
202 2HB LEU 24 2HB LEU 24 -0.221 -4.204 3.599
203 HG LEU 24 HG LEU 24 1.330 -1.715 3.975
204 1HD1 LEU 24 1HD1 LEU 24 -0.315 -0.543 5.185
205 2HD1 LEU 24 2HD1 LEU 24 -1.427 -1.911 5.161
206 3HD1 LEU 24 3HD1 LEU 24 -1.104 -1.011 3.677
207 1HD2 LEU 24 1HD2 LEU 24 0.066 -3.686 5.876
208 2HD2 LEU 24 2HD2 LEU 24 1.202 -2.406 6.303
209 3HD2 LEU 24 3HD2 LEU 24 1.727 -3.748 5.287
210 H HIS 25 H HIS 25 -0.232 -2.725 0.273
211 HA HIS 25 HA HIS 25 -1.496 -5.018 -0.662
212 1HB HIS 25 1HB HIS 25 -0.820 -2.504 -2.207
213 2HB HIS 25 2HB HIS 25 -2.015 -3.706 -2.684
214 HD1 HIS 25 HD1 HIS 25 -3.987 -4.029 -0.696
215 HD2 HIS 25 HD2 HIS 25 -1.886 -0.448 -0.863
216 HE1 HIS 25 HE1 HIS 25 -5.371 -2.329 0.566
217 H GLU 26 H GLU 26 1.590 -3.586 -1.638
218 HA GLU 26 HA GLU 26 2.044 -5.206 -3.899
219 1HB GLU 26 1HB GLU 26 3.302 -3.068 -2.932
220 2HB GLU 26 2HB GLU 26 4.355 -4.299 -2.248
221 1HG GLU 26 1HG GLU 26 5.342 -3.700 -4.279
222 2HG GLU 26 2HG GLU 26 4.543 -5.239 -4.593
223 H ASN 27 H ASN 27 3.548 -5.484 -0.660
224 HA ASN 27 HA ASN 27 3.113 -8.257 -0.418
225 1HB ASN 27 1HB ASN 27 5.446 -9.061 -0.703
226 2HB ASN 27 2HB ASN 27 4.733 -8.495 -2.210
227 1HD2 ASN 27 1HD2 ASN 27 5.588 -6.726 -3.233
228 2HD2 ASN 27 2HD2 ASN 27 7.048 -5.953 -2.727
229 H LYS 28 H LYS 28 4.380 -9.218 1.414
230 HA LYS 28 HA LYS 28 4.844 -7.155 3.455
231 1HB LYS 28 1HB LYS 28 3.859 -9.971 3.535
232 2HB LYS 28 2HB LYS 28 4.718 -9.353 4.939
233 1HG LYS 28 1HG LYS 28 3.110 -7.470 5.033
234 2HG LYS 28 2HG LYS 28 2.212 -8.224 3.715
235 1HD LYS 28 1HD LYS 28 1.656 -10.103 5.040
236 2HD LYS 28 2HD LYS 28 2.827 -9.663 6.284
237 1HE LYS 28 1HE LYS 28 1.497 -7.646 6.780
238 2HE LYS 28 2HE LYS 28 0.308 -8.158 5.584
239 1HZ LYS 28 1HZ LYS 28 1.050 -9.668 8.033
240 2HZ LYS 28 2HZ LYS 28 -0.101 -10.148 6.891
241 3HZ LYS 28 3HZ LYS 28 -0.364 -8.762 7.825
242 H LYS 29 H LYS 29 6.122 -10.372 2.554
243 HA LYS 29 HA LYS 29 8.838 -9.397 2.820
244 1HB LYS 29 1HB LYS 29 9.438 -11.322 4.361
245 2HB LYS 29 2HB LYS 29 8.550 -9.994 5.090
246 1HG LYS 29 1HG LYS 29 6.474 -11.305 4.896
247 2HG LYS 29 2HG LYS 29 7.409 -12.646 4.232
248 1HD LYS 29 1HD LYS 29 7.276 -13.228 6.462
249 2HD LYS 29 2HD LYS 29 8.822 -12.379 6.406
250 1HE LYS 29 1HE LYS 29 7.684 -10.322 7.159
251 2HE LYS 29 2HE LYS 29 6.174 -11.225 7.279
252 1HZ LYS 29 1HZ LYS 29 7.196 -12.646 8.944
253 2HZ LYS 29 2HZ LYS 29 7.267 -11.026 9.425
254 3HZ LYS 29 3HZ LYS 29 8.651 -11.789 8.822
Start of MODEL 9
1 H TYR 1 H TYR 1 -7.763 14.219 6.550
2 HA TYR 1 HA TYR 1 -6.764 11.848 5.130
3 1HB TYR 1 1HB TYR 1 -9.539 12.862 5.816
4 2HB TYR 1 2HB TYR 1 -9.183 11.372 4.952
5 HD1 TYR 1 HD1 TYR 1 -6.842 10.448 6.641
6 HD2 TYR 1 HD2 TYR 1 -10.652 12.009 7.707
7 HE1 TYR 1 HE1 TYR 1 -6.732 9.237 8.777
8 HE2 TYR 1 HE2 TYR 1 -10.554 10.805 9.847
9 HH TYR 1 HH TYR 1 -9.023 8.422 10.551
10 H LYS 2 H LYS 2 -5.659 13.373 3.639
11 HA LYS 2 HA LYS 2 -7.439 14.898 1.894
12 1HB LYS 2 1HB LYS 2 -5.406 15.842 0.931
13 2HB LYS 2 2HB LYS 2 -5.394 15.996 2.681
14 1HG LYS 2 1HG LYS 2 -3.795 14.266 2.915
15 2HG LYS 2 2HG LYS 2 -3.976 13.778 1.230
16 1HD LYS 2 1HD LYS 2 -3.203 16.197 0.705
17 2HD LYS 2 2HD LYS 2 -2.608 16.188 2.367
18 1HE LYS 2 1HE LYS 2 -1.633 13.829 1.489
19 2HE LYS 2 2HE LYS 2 -1.625 14.750 -0.014
20 1HZ LYS 2 1HZ LYS 2 -0.315 15.551 2.529
21 2HZ LYS 2 2HZ LYS 2 -0.335 16.474 1.111
22 3HZ LYS 2 3HZ LYS 2 0.467 14.986 1.139
23 H PHE 3 H PHE 3 -5.326 12.071 1.812
24 HA PHE 3 HA PHE 3 -5.993 11.668 -1.018
25 1HB PHE 3 1HB PHE 3 -3.680 11.008 0.674
26 2HB PHE 3 2HB PHE 3 -4.181 9.723 -0.408
27 HD1 PHE 3 HD1 PHE 3 -4.515 10.379 -2.899
28 HD2 PHE 3 HD2 PHE 3 -2.296 12.683 -0.092
29 HE1 PHE 3 HE1 PHE 3 -3.324 11.479 -4.749
30 HE2 PHE 3 HE2 PHE 3 -1.102 13.788 -1.937
31 HZ PHE 3 HZ PHE 3 -1.616 13.188 -4.270
32 H ALA 4 H ALA 4 -6.082 9.248 -1.613
33 HA ALA 4 HA ALA 4 -7.354 7.549 0.362
34 1HB ALA 4 1HB ALA 4 -9.258 8.818 -0.405
35 2HB ALA 4 2HB ALA 4 -9.363 7.174 -1.033
36 3HB ALA 4 3HB ALA 4 -8.843 8.488 -2.087
37 H CYS 5 H CYS 5 -6.823 5.462 0.011
38 HA CYS 5 HA CYS 5 -5.054 4.761 -2.081
39 1HB CYS 5 1HB CYS 5 -5.361 3.684 0.268
40 2HB CYS 5 2HB CYS 5 -6.600 2.717 -0.515
41 HG CYS 5 HG CYS 5 -4.869 1.374 -1.647
42 HA PRO 6 HA PRO 6 -7.950 3.754 -5.290
43 1HB PRO 6 1HB PRO 6 -6.308 2.362 -6.922
44 2HB PRO 6 2HB PRO 6 -6.191 4.115 -6.730
45 1HG PRO 6 1HG PRO 6 -4.547 1.957 -5.465
46 2HG PRO 6 2HG PRO 6 -4.020 3.499 -6.166
47 1HD PRO 6 1HD PRO 6 -4.323 3.108 -3.492
48 2HD PRO 6 2HD PRO 6 -4.554 4.686 -4.274
49 H GLU 7 H GLU 7 -6.260 1.333 -3.439
50 HA GLU 7 HA GLU 7 -7.985 -0.789 -4.495
51 1HB GLU 7 1HB GLU 7 -5.406 -0.985 -4.260
52 2HB GLU 7 2HB GLU 7 -5.740 -1.232 -2.552
53 1HG GLU 7 1HG GLU 7 -7.415 -2.902 -4.215
54 2HG GLU 7 2HG GLU 7 -5.703 -3.157 -4.546
55 H CYS 8 H CYS 8 -6.930 0.625 -1.386
56 HA CYS 8 HA CYS 8 -9.287 -0.622 -0.127
57 1HB CYS 8 1HB CYS 8 -8.119 -0.583 1.966
58 2HB CYS 8 2HB CYS 8 -7.057 -1.301 0.768
59 HG CYS 8 HG CYS 8 -6.625 1.680 1.459
60 HA PRO 9 HA PRO 9 -10.763 3.396 0.964
61 1HB PRO 9 1HB PRO 9 -12.237 2.876 3.125
62 2HB PRO 9 2HB PRO 9 -12.607 2.132 1.566
63 1HG PRO 9 1HG PRO 9 -11.315 0.948 3.969
64 2HG PRO 9 2HG PRO 9 -12.376 0.189 2.773
65 1HD PRO 9 1HD PRO 9 -9.549 0.070 2.855
66 2HD PRO 9 2HD PRO 9 -10.596 -0.487 1.539
67 H LYS 10 H LYS 10 -8.033 3.196 1.898
68 HA LYS 10 HA LYS 10 -8.085 4.236 4.616
69 1HB LYS 10 1HB LYS 10 -5.736 3.702 2.783
70 2HB LYS 10 2HB LYS 10 -5.621 4.228 4.438
71 1HG LYS 10 1HG LYS 10 -7.120 1.735 3.828
72 2HG LYS 10 2HG LYS 10 -5.356 1.713 3.838
73 1HD LYS 10 1HD LYS 10 -5.232 2.199 6.096
74 2HD LYS 10 2HD LYS 10 -6.837 2.934 6.130
75 1HE LYS 10 1HE LYS 10 -7.650 0.530 5.548
76 2HE LYS 10 2HE LYS 10 -6.070 0.042 6.159
77 1HZ LYS 10 1HZ LYS 10 -7.739 -0.032 7.895
78 2HZ LYS 10 2HZ LYS 10 -8.104 1.603 7.662
79 3HZ LYS 10 3HZ LYS 10 -6.584 1.152 8.250
80 H ARG 11 H ARG 11 -6.989 6.226 5.153
81 HA ARG 11 HA ARG 11 -6.718 8.207 3.028
82 1HB ARG 11 1HB ARG 11 -8.094 9.795 4.611
83 2HB ARG 11 2HB ARG 11 -8.913 8.766 3.447
84 1HG ARG 11 1HG ARG 11 -9.141 7.082 5.353
85 2HG ARG 11 2HG ARG 11 -8.680 8.412 6.416
86 1HD ARG 11 1HD ARG 11 -11.028 8.423 6.405
87 2HD ARG 11 2HD ARG 11 -10.557 9.732 5.321
88 HE ARG 11 HE ARG 11 -10.900 7.414 3.794
89 1HH1 ARG 11 1HH1 ARG 11 -12.834 9.631 5.692
90 2HH1 ARG 11 2HH1 ARG 11 -14.270 9.369 4.760
91 1HH2 ARG 11 1HH2 ARG 11 -12.793 7.074 2.570
92 2HH2 ARG 11 2HH2 ARG 11 -14.247 7.917 2.988
93 H PHE 12 H PHE 12 -5.090 9.616 3.421
94 HA PHE 12 HA PHE 12 -4.083 9.838 6.174
95 1HB PHE 12 1HB PHE 12 -2.307 9.437 3.793
96 2HB PHE 12 2HB PHE 12 -1.809 9.493 5.471
97 HD1 PHE 12 HD1 PHE 12 -4.219 7.596 3.347
98 HD2 PHE 12 HD2 PHE 12 -1.300 7.458 6.438
99 HE1 PHE 12 HE1 PHE 12 -4.469 5.170 3.458
100 HE2 PHE 12 HE2 PHE 12 -1.551 5.008 6.556
101 HZ PHE 12 HZ PHE 12 -3.140 3.864 5.051
102 H MET 13 H MET 13 -2.762 11.681 6.608
103 HA MET 13 HA MET 13 -3.638 14.023 5.161
104 1HB MET 13 1HB MET 13 -1.874 13.689 7.593
105 2HB MET 13 2HB MET 13 -2.326 15.246 6.914
106 1HG MET 13 1HG MET 13 -4.132 15.221 8.182
107 2HG MET 13 2HG MET 13 -4.722 13.845 7.253
108 1HE MET 13 1HE MET 13 -3.107 15.140 10.479
109 2HE MET 13 2HE MET 13 -3.727 13.919 11.592
110 3HE MET 13 3HE MET 13 -4.845 14.872 10.615
111 H ARG 14 H ARG 14 -0.716 12.098 5.415
112 HA ARG 14 HA ARG 14 0.778 14.082 3.853
113 1HB ARG 14 1HB ARG 14 1.573 11.771 5.576
114 2HB ARG 14 2HB ARG 14 2.645 12.255 4.274
115 1HG ARG 14 1HG ARG 14 3.290 13.297 6.369
116 2HG ARG 14 2HG ARG 14 2.783 14.505 5.189
117 1HD ARG 14 1HD ARG 14 1.800 15.163 7.223
118 2HD ARG 14 2HD ARG 14 0.499 14.417 6.293
119 HE ARG 14 HE ARG 14 0.419 12.686 7.817
120 1HH1 ARG 14 1HH1 ARG 14 3.206 14.702 8.484
121 2HH1 ARG 14 2HH1 ARG 14 3.506 13.987 10.030
122 1HH2 ARG 14 1HH2 ARG 14 0.822 11.747 9.855
123 2HH2 ARG 14 2HH2 ARG 14 2.155 12.308 10.810
124 H SER 15 H SER 15 2.182 13.233 2.102
125 HA SER 15 HA SER 15 0.634 11.432 0.406
126 1HB SER 15 1HB SER 15 1.112 12.964 -1.105
127 2HB SER 15 2HB SER 15 2.285 13.750 -0.054
128 HG SER 15 HG SER 15 2.668 11.899 -2.086
129 H ASP 16 H ASP 16 3.903 11.802 1.731
130 HA ASP 16 HA ASP 16 4.919 9.419 0.515
131 1HB ASP 16 1HB ASP 16 6.105 11.580 1.649
132 2HB ASP 16 2HB ASP 16 6.243 10.413 2.958
133 H HIS 17 H HIS 17 3.709 10.262 3.738
134 HA HIS 17 HA HIS 17 4.202 7.798 4.995
135 1HB HIS 17 1HB HIS 17 2.179 9.977 5.498
136 2HB HIS 17 2HB HIS 17 2.261 8.534 6.497
137 HD1 HIS 17 HD1 HIS 17 2.729 10.905 8.083
138 HD2 HIS 17 HD2 HIS 17 5.818 9.209 5.883
139 HE1 HIS 17 HE1 HIS 17 4.848 11.740 9.148
140 HE2 HIS 17 HE2 HIS 17 6.704 10.636 7.850
141 H LEU 18 H LEU 18 1.347 9.008 3.257
142 HA LEU 18 HA LEU 18 -0.337 6.817 3.654
143 1HB LEU 18 1HB LEU 18 -0.946 9.032 2.680
144 2HB LEU 18 2HB LEU 18 -0.171 8.547 1.194
145 HG LEU 18 HG LEU 18 -2.347 6.853 2.332
146 1HD1 LEU 18 1HD1 LEU 18 -2.655 9.454 0.879
147 2HD1 LEU 18 2HD1 LEU 18 -3.410 8.945 2.388
148 3HD1 LEU 18 3HD1 LEU 18 -3.905 8.210 0.863
149 1HD2 LEU 18 1HD2 LEU 18 -2.612 7.008 -0.389
150 2HD2 LEU 18 2HD2 LEU 18 -1.779 5.729 0.500
151 3HD2 LEU 18 3HD2 LEU 18 -0.865 7.088 -0.159
152 H THR 19 H THR 19 1.982 7.494 1.046
153 HA THR 19 HA THR 19 1.486 5.183 -0.441
154 HB THR 19 HB THR 19 4.066 6.756 -0.228
155 HG1 THR 19 HG1 THR 19 1.956 6.991 -2.110
156 1HG2 THR 19 1HG2 THR 19 4.622 4.763 -1.353
157 2HG2 THR 19 2HG2 THR 19 4.374 5.982 -2.605
158 3HG2 THR 19 3HG2 THR 19 3.123 4.781 -2.283
159 H LEU 20 H LEU 20 3.490 5.758 2.394
160 HA LEU 20 HA LEU 20 5.055 3.426 2.321
161 1HB LEU 20 1HB LEU 20 5.323 5.397 3.877
162 2HB LEU 20 2HB LEU 20 3.979 4.764 4.807
163 HG LEU 20 HG LEU 20 6.064 2.771 4.370
164 1HD1 LEU 20 1HD1 LEU 20 6.767 5.269 5.906
165 2HD1 LEU 20 2HD1 LEU 20 7.526 4.713 4.414
166 3HD1 LEU 20 3HD1 LEU 20 7.696 3.770 5.895
167 1HD2 LEU 20 1HD2 LEU 20 4.202 2.556 5.962
168 2HD2 LEU 20 2HD2 LEU 20 4.836 3.928 6.871
169 3HD2 LEU 20 3HD2 LEU 20 5.774 2.439 6.755
170 H HIS 21 H HIS 21 1.781 4.049 3.442
171 HA HIS 21 HA HIS 21 1.262 1.602 4.713
172 1HB HIS 21 1HB HIS 21 -0.697 2.634 5.111
173 2HB HIS 21 2HB HIS 21 -0.141 3.985 4.163
174 HD1 HIS 21 HD1 HIS 21 -2.041 4.669 2.688
175 HD2 HIS 21 HD2 HIS 21 -1.639 0.557 2.880
176 HE1 HIS 21 HE1 HIS 21 -3.851 3.692 1.220
177 H ILE 22 H ILE 22 0.549 2.710 1.445
178 HA ILE 22 HA ILE 22 -0.710 0.450 0.495
179 HB ILE 22 HB ILE 22 1.011 2.213 -1.239
180 1HG1 ILE 22 1HG1 ILE 22 -1.872 2.791 -0.800
181 2HG1 ILE 22 2HG1 ILE 22 -0.776 3.259 0.479
182 1HG2 ILE 22 1HG2 ILE 22 -0.183 1.432 -3.008
183 2HG2 ILE 22 2HG2 ILE 22 -1.652 1.215 -2.053
184 3HG2 ILE 22 3HG2 ILE 22 -0.356 0.022 -1.962
185 1HD1 ILE 22 1HD1 ILE 22 -0.403 5.113 -0.635
186 2HD1 ILE 22 2HD1 ILE 22 -1.317 4.524 -2.022
187 3HD1 ILE 22 3HD1 ILE 22 0.402 4.155 -1.876
188 H LEU 23 H LEU 23 2.578 0.655 1.358
189 HA LEU 23 HA LEU 23 3.810 -1.054 -0.465
190 1HB LEU 23 1HB LEU 23 4.256 -0.610 2.481
191 2HB LEU 23 2HB LEU 23 5.251 -1.712 1.550
192 HG LEU 23 HG LEU 23 4.939 1.215 0.885
193 1HD1 LEU 23 1HD1 LEU 23 5.968 0.921 3.097
194 2HD1 LEU 23 2HD1 LEU 23 7.104 1.559 1.909
195 3HD1 LEU 23 3HD1 LEU 23 7.180 -0.140 2.378
196 1HD2 LEU 23 1HD2 LEU 23 7.005 0.796 -0.426
197 2HD2 LEU 23 2HD2 LEU 23 5.605 -0.100 -1.014
198 3HD2 LEU 23 3HD2 LEU 23 6.842 -0.922 -0.065
199 H LEU 24 H LEU 24 1.656 -1.735 2.256
200 HA LEU 24 HA LEU 24 2.051 -4.493 2.503
201 1HB LEU 24 1HB LEU 24 -0.398 -4.539 3.238
202 2HB LEU 24 2HB LEU 24 0.721 -3.565 4.169
203 HG LEU 24 HG LEU 24 -0.251 -1.732 2.382
204 1HD1 LEU 24 1HD1 LEU 24 -2.601 -1.942 2.191
205 2HD1 LEU 24 2HD1 LEU 24 -2.617 -3.392 3.199
206 3HD1 LEU 24 3HD1 LEU 24 -1.895 -3.444 1.591
207 1HD2 LEU 24 1HD2 LEU 24 -1.527 -2.359 5.031
208 2HD2 LEU 24 2HD2 LEU 24 -1.366 -0.786 4.250
209 3HD2 LEU 24 3HD2 LEU 24 0.063 -1.612 4.873
210 H HIS 25 H HIS 25 -0.043 -2.701 0.274
211 HA HIS 25 HA HIS 25 -1.374 -4.896 -0.863
212 1HB HIS 25 1HB HIS 25 -0.691 -2.209 -2.074
213 2HB HIS 25 2HB HIS 25 -1.803 -3.370 -2.790
214 HD1 HIS 25 HD1 HIS 25 -3.770 -4.096 -0.800
215 HD2 HIS 25 HD2 HIS 25 -2.028 -0.327 -0.748
216 HE1 HIS 25 HE1 HIS 25 -5.335 -2.606 0.516
217 H GLU 26 H GLU 26 1.656 -3.289 -1.775
218 HA GLU 26 HA GLU 26 2.176 -4.640 -4.154
219 1HB GLU 26 1HB GLU 26 3.635 -2.957 -2.326
220 2HB GLU 26 2HB GLU 26 4.663 -4.275 -2.870
221 1HG GLU 26 1HG GLU 26 3.112 -2.498 -4.734
222 2HG GLU 26 2HG GLU 26 4.776 -2.188 -4.239
223 H ASN 27 H ASN 27 2.926 -5.566 -0.814
224 HA ASN 27 HA ASN 27 4.195 -8.033 -1.645
225 1HB ASN 27 1HB ASN 27 4.612 -6.489 0.500
226 2HB ASN 27 2HB ASN 27 3.415 -7.577 1.195
227 1HD2 ASN 27 1HD2 ASN 27 6.638 -7.250 -0.004
228 2HD2 ASN 27 2HD2 ASN 27 7.200 -8.811 0.475
229 H LYS 28 H LYS 28 3.443 -10.142 -1.018
230 HA LYS 28 HA LYS 28 0.522 -10.325 -1.087
231 1HB LYS 28 1HB LYS 28 2.581 -11.746 -2.387
232 2HB LYS 28 2HB LYS 28 1.842 -12.879 -1.262
233 1HG LYS 28 1HG LYS 28 0.719 -13.092 -3.341
234 2HG LYS 28 2HG LYS 28 -0.378 -12.271 -2.230
235 1HD LYS 28 1HD LYS 28 -0.570 -10.590 -3.672
236 2HD LYS 28 2HD LYS 28 1.162 -10.283 -3.539
237 1HE LYS 28 1HE LYS 28 0.950 -10.652 -5.798
238 2HE LYS 28 2HE LYS 28 1.347 -12.272 -5.226
239 1HZ LYS 28 1HZ LYS 28 -0.501 -12.297 -6.787
240 2HZ LYS 28 2HZ LYS 28 -1.394 -11.266 -5.787
241 3HZ LYS 28 3HZ LYS 28 -1.003 -12.825 -5.259
242 H LYS 29 H LYS 29 -0.494 -10.538 0.782
243 HA LYS 29 HA LYS 29 0.890 -11.689 3.080
244 1HB LYS 29 1HB LYS 29 -0.399 -9.513 3.210
245 2HB LYS 29 2HB LYS 29 -1.867 -10.460 3.019
246 1HG LYS 29 1HG LYS 29 -0.578 -11.744 5.078
247 2HG LYS 29 2HG LYS 29 -0.199 -10.044 5.365
248 1HD LYS 29 1HD LYS 29 -2.195 -10.296 6.509
249 2HD LYS 29 2HD LYS 29 -2.741 -9.680 4.948
250 1HE LYS 29 1HE LYS 29 -4.186 -11.436 5.233
251 2HE LYS 29 2HE LYS 29 -2.886 -12.231 4.347
252 1HZ LYS 29 1HZ LYS 29 -3.223 -12.264 7.300
253 2HZ LYS 29 2HZ LYS 29 -2.003 -13.053 6.434
254 3HZ LYS 29 3HZ LYS 29 -3.613 -13.536 6.254
Start of MODEL 10
1 H TYR 1 H TYR 1 -10.225 14.236 5.428
2 HA TYR 1 HA TYR 1 -8.059 13.671 4.966
3 1HB TYR 1 1HB TYR 1 -9.569 12.212 2.801
4 2HB TYR 1 2HB TYR 1 -8.317 11.593 3.870
5 HD1 TYR 1 HD1 TYR 1 -11.660 11.355 3.181
6 HD2 TYR 1 HD2 TYR 1 -9.069 11.931 6.507
7 HE1 TYR 1 HE1 TYR 1 -13.396 10.472 4.679
8 HE2 TYR 1 HE2 TYR 1 -10.799 11.048 8.014
9 HH TYR 1 HH TYR 1 -13.338 9.289 7.073
10 H LYS 2 H LYS 2 -6.239 13.618 3.626
11 HA LYS 2 HA LYS 2 -6.295 15.528 1.448
12 1HB LYS 2 1HB LYS 2 -4.281 14.408 3.222
13 2HB LYS 2 2HB LYS 2 -3.733 14.441 1.554
14 1HG LYS 2 1HG LYS 2 -5.008 16.898 2.602
15 2HG LYS 2 2HG LYS 2 -3.406 16.487 3.218
16 1HD LYS 2 1HD LYS 2 -2.598 17.493 1.395
17 2HD LYS 2 2HD LYS 2 -3.168 16.086 0.496
18 1HE LYS 2 1HE LYS 2 -4.165 17.785 -0.685
19 2HE LYS 2 2HE LYS 2 -5.435 17.399 0.476
20 1HZ LYS 2 1HZ LYS 2 -3.460 19.604 0.748
21 2HZ LYS 2 2HZ LYS 2 -4.688 19.239 1.852
22 3HZ LYS 2 3HZ LYS 2 -5.081 19.783 0.300
23 H PHE 3 H PHE 3 -5.232 12.131 1.831
24 HA PHE 3 HA PHE 3 -5.737 11.755 -1.046
25 1HB PHE 3 1HB PHE 3 -3.410 11.084 0.631
26 2HB PHE 3 2HB PHE 3 -3.956 9.799 -0.427
27 HD1 PHE 3 HD1 PHE 3 -3.896 10.078 -2.864
28 HD2 PHE 3 HD2 PHE 3 -2.400 13.069 -0.229
29 HE1 PHE 3 HE1 PHE 3 -2.696 11.127 -4.740
30 HE2 PHE 3 HE2 PHE 3 -1.201 14.123 -2.099
31 HZ PHE 3 HZ PHE 3 -1.348 13.153 -4.359
32 H ALA 4 H ALA 4 -5.884 9.302 -1.543
33 HA ALA 4 HA ALA 4 -7.126 7.698 0.525
34 1HB ALA 4 1HB ALA 4 -9.021 9.023 -0.221
35 2HB ALA 4 2HB ALA 4 -9.212 7.345 -0.732
36 3HB ALA 4 3HB ALA 4 -8.704 8.570 -1.896
37 H CYS 5 H CYS 5 -6.815 5.545 0.164
38 HA CYS 5 HA CYS 5 -5.069 4.738 -1.916
39 1HB CYS 5 1HB CYS 5 -5.424 3.669 0.419
40 2HB CYS 5 2HB CYS 5 -6.743 2.800 -0.346
41 HG CYS 5 HG CYS 5 -4.249 1.609 -0.358
42 HA PRO 6 HA PRO 6 -8.047 3.931 -5.116
43 1HB PRO 6 1HB PRO 6 -6.435 2.628 -6.839
44 2HB PRO 6 2HB PRO 6 -6.293 4.368 -6.553
45 1HG PRO 6 1HG PRO 6 -4.668 2.124 -5.412
46 2HG PRO 6 2HG PRO 6 -4.121 3.682 -6.059
47 1HD PRO 6 1HD PRO 6 -4.395 3.197 -3.399
48 2HD PRO 6 2HD PRO 6 -4.618 4.807 -4.118
49 H GLU 7 H GLU 7 -6.310 1.456 -3.388
50 HA GLU 7 HA GLU 7 -8.021 -0.650 -4.496
51 1HB GLU 7 1HB GLU 7 -5.533 -0.983 -4.405
52 2HB GLU 7 2HB GLU 7 -5.646 -0.955 -2.651
53 1HG GLU 7 1HG GLU 7 -7.534 -2.833 -3.696
54 2HG GLU 7 2HG GLU 7 -5.940 -3.154 -4.373
55 H CYS 8 H CYS 8 -6.916 0.592 -1.323
56 HA CYS 8 HA CYS 8 -9.261 -0.700 -0.095
57 1HB CYS 8 1HB CYS 8 -8.090 -0.720 1.971
58 2HB CYS 8 2HB CYS 8 -6.958 -1.275 0.752
59 HG CYS 8 HG CYS 8 -5.453 0.502 1.463
60 HA PRO 9 HA PRO 9 -10.886 3.232 1.084
61 1HB PRO 9 1HB PRO 9 -12.259 2.636 3.296
62 2HB PRO 9 2HB PRO 9 -12.651 1.889 1.744
63 1HG PRO 9 1HG PRO 9 -11.229 0.744 4.091
64 2HG PRO 9 2HG PRO 9 -12.295 -0.052 2.923
65 1HD PRO 9 1HD PRO 9 -9.467 -0.053 2.909
66 2HD PRO 9 2HD PRO 9 -10.532 -0.635 1.621
67 H LYS 10 H LYS 10 -8.090 3.029 2.024
68 HA LYS 10 HA LYS 10 -8.167 4.174 4.696
69 1HB LYS 10 1HB LYS 10 -5.802 3.583 2.903
70 2HB LYS 10 2HB LYS 10 -5.701 4.167 4.538
71 1HG LYS 10 1HG LYS 10 -7.217 1.664 4.051
72 2HG LYS 10 2HG LYS 10 -5.454 1.616 3.986
73 1HD LYS 10 1HD LYS 10 -5.931 1.118 6.213
74 2HD LYS 10 2HD LYS 10 -5.548 2.840 6.250
75 1HE LYS 10 1HE LYS 10 -7.758 3.459 6.561
76 2HE LYS 10 2HE LYS 10 -8.381 1.947 5.898
77 1HZ LYS 10 1HZ LYS 10 -8.651 2.094 8.311
78 2HZ LYS 10 2HZ LYS 10 -6.974 2.212 8.502
79 3HZ LYS 10 3HZ LYS 10 -7.655 0.797 7.873
80 H ARG 11 H ARG 11 -7.087 6.184 5.179
81 HA ARG 11 HA ARG 11 -6.824 8.102 2.991
82 1HB ARG 11 1HB ARG 11 -8.230 9.760 4.262
83 2HB ARG 11 2HB ARG 11 -9.121 8.423 3.551
84 1HG ARG 11 1HG ARG 11 -8.311 7.762 6.228
85 2HG ARG 11 2HG ARG 11 -9.180 9.297 6.205
86 1HD ARG 11 1HD ARG 11 -11.022 8.246 4.999
87 2HD ARG 11 2HD ARG 11 -10.149 6.713 4.986
88 HE ARG 11 HE ARG 11 -11.607 7.871 7.183
89 1HH1 ARG 11 1HH1 ARG 11 -9.104 5.591 6.282
90 2HH1 ARG 11 2HH1 ARG 11 -9.262 4.659 7.732
91 1HH2 ARG 11 1HH2 ARG 11 -11.808 6.639 9.089
92 2HH2 ARG 11 2HH2 ARG 11 -10.797 5.253 9.326
93 H PHE 12 H PHE 12 -5.171 9.498 3.317
94 HA PHE 12 HA PHE 12 -4.171 9.852 6.058
95 1HB PHE 12 1HB PHE 12 -2.360 9.336 3.730
96 2HB PHE 12 2HB PHE 12 -1.902 9.445 5.414
97 HD1 PHE 12 HD1 PHE 12 -4.306 7.475 3.340
98 HD2 PHE 12 HD2 PHE 12 -1.364 7.444 6.413
99 HE1 PHE 12 HE1 PHE 12 -4.535 5.051 3.520
100 HE2 PHE 12 HE2 PHE 12 -1.594 4.999 6.601
101 HZ PHE 12 HZ PHE 12 -3.183 3.799 5.137
102 H MET 13 H MET 13 -3.200 11.791 6.518
103 HA MET 13 HA MET 13 -3.890 13.998 4.834
104 1HB MET 13 1HB MET 13 -2.644 15.348 6.572
105 2HB MET 13 2HB MET 13 -4.001 14.404 7.167
106 1HG MET 13 1HG MET 13 -2.704 13.087 8.442
107 2HG MET 13 2HG MET 13 -1.388 13.063 7.271
108 1HE MET 13 1HE MET 13 0.161 14.408 10.678
109 2HE MET 13 2HE MET 13 0.138 13.068 9.531
110 3HE MET 13 3HE MET 13 -1.245 13.348 10.590
111 H ARG 14 H ARG 14 -1.022 12.077 5.326
112 HA ARG 14 HA ARG 14 0.598 13.958 3.766
113 1HB ARG 14 1HB ARG 14 1.317 11.540 5.426
114 2HB ARG 14 2HB ARG 14 2.469 12.339 4.368
115 1HG ARG 14 1HG ARG 14 1.487 14.435 5.814
116 2HG ARG 14 2HG ARG 14 1.473 13.125 6.997
117 1HD ARG 14 1HD ARG 14 3.914 12.888 5.653
118 2HD ARG 14 2HD ARG 14 3.699 14.619 5.927
119 HE ARG 14 HE ARG 14 3.127 13.200 8.297
120 1HH1 ARG 14 1HH1 ARG 14 5.839 14.100 6.273
121 2HH1 ARG 14 2HH1 ARG 14 6.972 14.105 7.582
122 1HH2 ARG 14 1HH2 ARG 14 4.627 13.209 10.019
123 2HH2 ARG 14 2HH2 ARG 14 6.285 13.598 9.707
124 H SER 15 H SER 15 1.943 13.125 2.032
125 HA SER 15 HA SER 15 0.487 11.180 0.413
126 1HB SER 15 1HB SER 15 0.939 12.623 -1.193
127 2HB SER 15 2HB SER 15 2.008 13.554 -0.147
128 HG SER 15 HG SER 15 3.457 12.864 -1.530
129 H ASP 16 H ASP 16 3.742 11.781 1.677
130 HA ASP 16 HA ASP 16 4.920 9.426 0.614
131 1HB ASP 16 1HB ASP 16 6.595 9.896 2.611
132 2HB ASP 16 2HB ASP 16 6.567 10.929 1.192
133 H HIS 17 H HIS 17 3.631 10.213 3.837
134 HA HIS 17 HA HIS 17 4.160 7.717 5.024
135 1HB HIS 17 1HB HIS 17 2.216 9.927 5.632
136 2HB HIS 17 2HB HIS 17 2.190 8.427 6.548
137 HD1 HIS 17 HD1 HIS 17 2.847 9.911 8.633
138 HD2 HIS 17 HD2 HIS 17 5.713 9.693 5.630
139 HE1 HIS 17 HE1 HIS 17 4.967 10.765 9.665
140 HE2 HIS 17 HE2 HIS 17 6.673 10.697 7.815
141 H LEU 18 H LEU 18 1.348 8.936 3.250
142 HA LEU 18 HA LEU 18 -0.367 6.758 3.657
143 1HB LEU 18 1HB LEU 18 -0.937 8.988 2.662
144 2HB LEU 18 2HB LEU 18 -0.185 8.460 1.179
145 HG LEU 18 HG LEU 18 -2.374 6.819 2.364
146 1HD1 LEU 18 1HD1 LEU 18 -3.837 8.249 0.739
147 2HD1 LEU 18 2HD1 LEU 18 -2.622 9.483 1.074
148 3HD1 LEU 18 3HD1 LEU 18 -3.552 8.783 2.394
149 1HD2 LEU 18 1HD2 LEU 18 -2.672 6.957 -0.354
150 2HD2 LEU 18 2HD2 LEU 18 -1.850 5.672 0.537
151 3HD2 LEU 18 3HD2 LEU 18 -0.921 7.010 -0.144
152 H THR 19 H THR 19 1.990 7.417 1.075
153 HA THR 19 HA THR 19 1.490 5.094 -0.403
154 HB THR 19 HB THR 19 4.067 6.674 -0.189
155 HG1 THR 19 HG1 THR 19 2.793 8.108 -1.069
156 1HG2 THR 19 1HG2 THR 19 4.619 4.657 -1.286
157 2HG2 THR 19 2HG2 THR 19 4.415 5.878 -2.541
158 3HG2 THR 19 3HG2 THR 19 3.141 4.694 -2.248
159 H LEU 20 H LEU 20 3.455 5.698 2.444
160 HA LEU 20 HA LEU 20 5.040 3.380 2.426
161 1HB LEU 20 1HB LEU 20 5.211 5.401 3.967
162 2HB LEU 20 2HB LEU 20 3.906 4.692 4.895
163 HG LEU 20 HG LEU 20 5.459 2.610 5.041
164 1HD1 LEU 20 1HD1 LEU 20 7.468 4.775 4.433
165 2HD1 LEU 20 2HD1 LEU 20 7.105 3.383 3.412
166 3HD1 LEU 20 3HD1 LEU 20 7.837 3.145 4.999
167 1HD2 LEU 20 1HD2 LEU 20 4.811 3.991 6.941
168 2HD2 LEU 20 2HD2 LEU 20 6.076 5.152 6.541
169 3HD2 LEU 20 3HD2 LEU 20 6.507 3.520 7.053
170 H HIS 21 H HIS 21 1.724 3.970 3.389
171 HA HIS 21 HA HIS 21 1.230 1.504 4.682
172 1HB HIS 21 1HB HIS 21 -0.713 2.537 5.119
173 2HB HIS 21 2HB HIS 21 -0.176 3.900 4.182
174 HD1 HIS 21 HD1 HIS 21 -2.090 4.597 2.750
175 HD2 HIS 21 HD2 HIS 21 -1.686 0.478 2.895
176 HE1 HIS 21 HE1 HIS 21 -3.934 3.639 1.315
177 H ILE 22 H ILE 22 0.586 2.678 1.421
178 HA ILE 22 HA ILE 22 -0.660 0.368 0.465
179 HB ILE 22 HB ILE 22 0.912 2.227 -1.304
180 1HG1 ILE 22 1HG1 ILE 22 -1.943 2.782 -0.745
181 2HG1 ILE 22 2HG1 ILE 22 -0.826 3.195 0.534
182 1HG2 ILE 22 1HG2 ILE 22 -0.533 0.018 -1.930
183 2HG2 ILE 22 2HG2 ILE 22 -0.301 1.390 -3.011
184 3HG2 ILE 22 3HG2 ILE 22 -1.770 1.271 -2.039
185 1HD1 ILE 22 1HD1 ILE 22 -0.398 5.078 -0.506
186 2HD1 ILE 22 2HD1 ILE 22 -1.437 4.603 -1.849
187 3HD1 ILE 22 3HD1 ILE 22 0.272 4.169 -1.858
188 H LEU 23 H LEU 23 2.573 0.680 1.347
189 HA LEU 23 HA LEU 23 3.870 -0.865 -0.609
190 1HB LEU 23 1HB LEU 23 4.501 0.245 1.958
191 2HB LEU 23 2HB LEU 23 5.065 -1.412 1.890
192 HG LEU 23 HG LEU 23 6.233 -0.808 -0.274
193 1HD1 LEU 23 1HD1 LEU 23 5.521 1.971 0.649
194 2HD1 LEU 23 2HD1 LEU 23 5.018 1.189 -0.850
195 3HD1 LEU 23 3HD1 LEU 23 6.715 1.594 -0.595
196 1HD2 LEU 23 1HD2 LEU 23 7.952 -0.835 1.131
197 2HD2 LEU 23 2HD2 LEU 23 6.943 -0.250 2.454
198 3HD2 LEU 23 3HD2 LEU 23 7.728 0.898 1.369
199 H LEU 24 H LEU 24 1.949 -1.770 2.231
200 HA LEU 24 HA LEU 24 2.673 -4.514 2.228
201 1HB LEU 24 1HB LEU 24 0.210 -4.680 3.277
202 2HB LEU 24 2HB LEU 24 1.635 -4.233 4.185
203 HG LEU 24 HG LEU 24 0.991 -1.817 3.721
204 1HD1 LEU 24 1HD1 LEU 24 -0.580 -1.963 1.970
205 2HD1 LEU 24 2HD1 LEU 24 -1.531 -1.575 3.403
206 3HD1 LEU 24 3HD1 LEU 24 -1.494 -3.229 2.788
207 1HD2 LEU 24 1HD2 LEU 24 -0.168 -1.734 5.696
208 2HD2 LEU 24 2HD2 LEU 24 0.609 -3.314 5.806
209 3HD2 LEU 24 3HD2 LEU 24 -1.088 -3.196 5.341
210 H HIS 25 H HIS 25 0.282 -2.709 0.406
211 HA HIS 25 HA HIS 25 -1.290 -4.842 -0.511
212 1HB HIS 25 1HB HIS 25 -0.648 -2.162 -1.746
213 2HB HIS 25 2HB HIS 25 -1.791 -3.293 -2.462
214 HD1 HIS 25 HD1 HIS 25 -3.393 -4.168 -0.004
215 HD2 HIS 25 HD2 HIS 25 -2.222 -0.248 -0.726
216 HE1 HIS 25 HE1 HIS 25 -4.999 -2.695 1.281
217 H GLU 26 H GLU 26 1.454 -3.224 -2.141
218 HA GLU 26 HA GLU 26 1.561 -5.146 -4.249
219 1HB GLU 26 1HB GLU 26 2.388 -2.729 -4.317
220 2HB GLU 26 2HB GLU 26 3.803 -3.300 -3.442
221 1HG GLU 26 1HG GLU 26 4.237 -4.899 -5.285
222 2HG GLU 26 2HG GLU 26 2.889 -4.184 -6.170
223 H ASN 27 H ASN 27 3.654 -4.519 -1.430
224 HA ASN 27 HA ASN 27 4.678 -7.271 -1.691
225 1HB ASN 27 1HB ASN 27 6.049 -4.751 -0.755
226 2HB ASN 27 2HB ASN 27 6.683 -6.352 -0.388
227 1HD2 ASN 27 1HD2 ASN 27 5.882 -4.117 -2.973
228 2HD2 ASN 27 2HD2 ASN 27 6.923 -4.823 -4.157
229 H LYS 28 H LYS 28 3.457 -8.420 -0.302
230 HA LYS 28 HA LYS 28 2.401 -7.445 2.131
231 1HB LYS 28 1HB LYS 28 1.800 -9.561 0.647
232 2HB LYS 28 2HB LYS 28 2.891 -10.367 1.765
233 1HG LYS 28 1HG LYS 28 0.897 -10.683 2.827
234 2HG LYS 28 2HG LYS 28 1.417 -9.174 3.576
235 1HD LYS 28 1HD LYS 28 -0.591 -8.385 2.972
236 2HD LYS 28 2HD LYS 28 0.084 -8.297 1.344
237 1HE LYS 28 1HE LYS 28 -1.243 -10.781 2.394
238 2HE LYS 28 2HE LYS 28 -2.159 -9.486 1.626
239 1HZ LYS 28 1HZ LYS 28 -1.629 -11.125 -0.005
240 2HZ LYS 28 2HZ LYS 28 0.012 -11.100 0.402
241 3HZ LYS 28 3HZ LYS 28 -0.697 -9.753 -0.337
242 H LYS 29 H LYS 29 3.383 -7.065 3.995
243 HA LYS 29 HA LYS 29 5.992 -8.322 4.507
244 1HB LYS 29 1HB LYS 29 4.756 -5.812 5.653
245 2HB LYS 29 2HB LYS 29 6.305 -6.474 6.157
246 1HG LYS 29 1HG LYS 29 7.031 -6.261 3.744
247 2HG LYS 29 2HG LYS 29 5.566 -5.312 3.488
248 1HD LYS 29 1HD LYS 29 7.571 -4.644 5.630
249 2HD LYS 29 2HD LYS 29 7.698 -4.018 3.986
250 1HE LYS 29 1HE LYS 29 5.236 -3.686 5.686
251 2HE LYS 29 2HE LYS 29 6.552 -2.514 5.663
252 1HZ LYS 29 1HZ LYS 29 4.735 -3.265 3.452
253 2HZ LYS 29 2HZ LYS 29 6.193 -2.456 3.171
254 3HZ LYS 29 3HZ LYS 29 4.997 -1.734 4.123
Start of MODEL 11
1 H TYR 1 H TYR 1 -6.275 13.850 6.387
2 HA TYR 1 HA TYR 1 -6.666 11.618 5.516
3 1HB TYR 1 1HB TYR 1 -9.486 12.268 6.417
4 2HB TYR 1 2HB TYR 1 -9.062 10.923 5.367
5 HD1 TYR 1 HD1 TYR 1 -6.522 10.065 6.789
6 HD2 TYR 1 HD2 TYR 1 -10.376 11.103 8.261
7 HE1 TYR 1 HE1 TYR 1 -6.143 8.650 8.762
8 HE2 TYR 1 HE2 TYR 1 -10.006 9.692 10.240
9 HH TYR 1 HH TYR 1 -7.413 8.810 11.413
10 H LYS 2 H LYS 2 -5.805 13.257 4.027
11 HA LYS 2 HA LYS 2 -7.797 14.703 2.455
12 1HB LYS 2 1HB LYS 2 -4.795 14.803 2.610
13 2HB LYS 2 2HB LYS 2 -5.662 15.564 1.283
14 1HG LYS 2 1HG LYS 2 -6.189 16.173 4.181
15 2HG LYS 2 2HG LYS 2 -5.063 17.083 3.172
16 1HD LYS 2 1HD LYS 2 -6.724 18.248 2.245
17 2HD LYS 2 2HD LYS 2 -7.622 16.779 1.864
18 1HE LYS 2 1HE LYS 2 -7.577 17.995 4.616
19 2HE LYS 2 2HE LYS 2 -8.768 18.443 3.396
20 1HZ LYS 2 1HZ LYS 2 -9.326 16.017 3.268
21 2HZ LYS 2 2HZ LYS 2 -9.738 16.771 4.724
22 3HZ LYS 2 3HZ LYS 2 -8.368 15.783 4.642
23 H PHE 3 H PHE 3 -5.235 12.272 1.993
24 HA PHE 3 HA PHE 3 -6.049 11.858 -0.764
25 1HB PHE 3 1HB PHE 3 -3.728 11.107 0.913
26 2HB PHE 3 2HB PHE 3 -4.187 9.957 -0.327
27 HD1 PHE 3 HD1 PHE 3 -4.340 10.764 -2.724
28 HD2 PHE 3 HD2 PHE 3 -2.516 13.032 0.382
29 HE1 PHE 3 HE1 PHE 3 -3.142 12.099 -4.407
30 HE2 PHE 3 HE2 PHE 3 -1.316 14.372 -1.296
31 HZ PHE 3 HZ PHE 3 -1.628 13.907 -3.694
32 H ALA 4 H ALA 4 -6.180 9.521 -1.509
33 HA ALA 4 HA ALA 4 -7.379 7.692 0.412
34 1HB ALA 4 1HB ALA 4 -9.381 7.340 -0.975
35 2HB ALA 4 2HB ALA 4 -8.874 8.665 -2.023
36 3HB ALA 4 3HB ALA 4 -9.294 8.982 -0.339
37 H CYS 5 H CYS 5 -6.854 5.621 -0.031
38 HA CYS 5 HA CYS 5 -5.039 5.039 -2.128
39 1HB CYS 5 1HB CYS 5 -5.359 3.881 0.189
40 2HB CYS 5 2HB CYS 5 -6.542 2.900 -0.661
41 HG CYS 5 HG CYS 5 -4.730 1.712 -1.877
42 HA PRO 6 HA PRO 6 -7.918 4.090 -5.381
43 1HB PRO 6 1HB PRO 6 -6.225 2.836 -7.074
44 2HB PRO 6 2HB PRO 6 -6.183 4.584 -6.813
45 1HG PRO 6 1HG PRO 6 -4.440 2.452 -5.641
46 2HG PRO 6 2HG PRO 6 -3.985 4.041 -6.281
47 1HD PRO 6 1HD PRO 6 -4.256 3.532 -3.623
48 2HD PRO 6 2HD PRO 6 -4.564 5.128 -4.340
49 H GLU 7 H GLU 7 -6.080 1.667 -3.671
50 HA GLU 7 HA GLU 7 -7.690 -0.502 -4.802
51 1HB GLU 7 1HB GLU 7 -5.034 -0.410 -4.267
52 2HB GLU 7 2HB GLU 7 -5.630 -1.114 -2.772
53 1HG GLU 7 1HG GLU 7 -6.352 -2.210 -5.471
54 2HG GLU 7 2HG GLU 7 -4.915 -2.719 -4.586
55 H CYS 8 H CYS 8 -6.751 0.826 -1.616
56 HA CYS 8 HA CYS 8 -9.086 -0.548 -0.454
57 1HB CYS 8 1HB CYS 8 -7.970 -0.568 1.648
58 2HB CYS 8 2HB CYS 8 -6.810 -1.119 0.454
59 HG CYS 8 HG CYS 8 -5.513 0.551 1.849
60 HA PRO 9 HA PRO 9 -10.755 3.366 0.743
61 1HB PRO 9 1HB PRO 9 -12.224 2.711 2.873
62 2HB PRO 9 2HB PRO 9 -12.551 2.008 1.285
63 1HG PRO 9 1HG PRO 9 -11.238 0.794 3.661
64 2HG PRO 9 2HG PRO 9 -12.245 0.032 2.420
65 1HD PRO 9 1HD PRO 9 -9.414 0.044 2.545
66 2HD PRO 9 2HD PRO 9 -10.415 -0.523 1.199
67 H LYS 10 H LYS 10 -8.004 3.088 1.787
68 HA LYS 10 HA LYS 10 -8.156 4.132 4.497
69 1HB LYS 10 1HB LYS 10 -5.822 3.427 2.724
70 2HB LYS 10 2HB LYS 10 -5.619 4.248 4.240
71 1HG LYS 10 1HG LYS 10 -5.458 1.606 3.990
72 2HG LYS 10 2HG LYS 10 -5.991 2.404 5.469
73 1HD LYS 10 1HD LYS 10 -8.325 2.097 4.795
74 2HD LYS 10 2HD LYS 10 -7.795 1.315 3.305
75 1HE LYS 10 1HE LYS 10 -6.713 -0.446 4.630
76 2HE LYS 10 2HE LYS 10 -7.276 0.330 6.108
77 1HZ LYS 10 1HZ LYS 10 -9.588 0.067 4.998
78 2HZ LYS 10 2HZ LYS 10 -8.873 -1.262 5.760
79 3HZ LYS 10 3HZ LYS 10 -8.822 -1.128 4.075
80 H ARG 11 H ARG 11 -7.005 6.088 5.077
81 HA ARG 11 HA ARG 11 -6.695 8.095 2.989
82 1HB ARG 11 1HB ARG 11 -8.514 8.434 5.371
83 2HB ARG 11 2HB ARG 11 -8.031 9.725 4.293
84 1HG ARG 11 1HG ARG 11 -9.193 8.734 2.458
85 2HG ARG 11 2HG ARG 11 -9.521 7.274 3.395
86 1HD ARG 11 1HD ARG 11 -10.561 9.259 4.982
87 2HD ARG 11 2HD ARG 11 -10.920 9.836 3.356
88 HE ARG 11 HE ARG 11 -12.447 8.147 3.123
89 1HH1 ARG 11 1HH1 ARG 11 -10.420 7.436 5.891
90 2HH1 ARG 11 2HH1 ARG 11 -11.390 6.101 6.411
91 1HH2 ARG 11 1HH2 ARG 11 -13.719 6.386 3.816
92 2HH2 ARG 11 2HH2 ARG 11 -13.262 5.504 5.235
93 H PHE 12 H PHE 12 -5.188 9.657 3.480
94 HA PHE 12 HA PHE 12 -4.060 9.686 6.183
95 1HB PHE 12 1HB PHE 12 -2.329 9.392 3.753
96 2HB PHE 12 2HB PHE 12 -1.801 9.378 5.421
97 HD1 PHE 12 HD1 PHE 12 -4.203 7.545 3.229
98 HD2 PHE 12 HD2 PHE 12 -1.283 7.316 6.315
99 HE1 PHE 12 HE1 PHE 12 -4.416 5.109 3.235
100 HE2 PHE 12 HE2 PHE 12 -1.498 4.861 6.328
101 HZ PHE 12 HZ PHE 12 -3.065 3.757 4.772
102 H MET 13 H MET 13 -3.011 11.567 6.778
103 HA MET 13 HA MET 13 -3.798 13.931 5.356
104 1HB MET 13 1HB MET 13 -2.057 13.552 7.800
105 2HB MET 13 2HB MET 13 -2.563 15.116 7.177
106 1HG MET 13 1HG MET 13 -4.741 14.833 7.841
107 2HG MET 13 2HG MET 13 -4.631 13.072 7.823
108 1HE MET 13 1HE MET 13 -3.201 11.727 9.439
109 2HE MET 13 2HE MET 13 -4.783 11.846 10.208
110 3HE MET 13 3HE MET 13 -3.319 12.061 11.167
111 H ARG 14 H ARG 14 -0.914 11.982 5.562
112 HA ARG 14 HA ARG 14 0.664 14.011 4.154
113 1HB ARG 14 1HB ARG 14 1.441 11.424 5.509
114 2HB ARG 14 2HB ARG 14 2.563 12.397 4.570
115 1HG ARG 14 1HG ARG 14 3.001 13.099 6.714
116 2HG ARG 14 2HG ARG 14 1.843 14.313 6.168
117 1HD ARG 14 1HD ARG 14 0.670 13.830 8.004
118 2HD ARG 14 2HD ARG 14 0.245 12.314 7.209
119 HE ARG 14 HE ARG 14 1.618 11.201 8.659
120 1HH1 ARG 14 1HH1 ARG 14 2.357 14.620 8.843
121 2HH1 ARG 14 2HH1 ARG 14 3.411 14.444 10.205
122 1HH2 ARG 14 1HH2 ARG 14 3.009 10.977 10.454
123 2HH2 ARG 14 2HH2 ARG 14 3.783 12.377 11.117
124 H SER 15 H SER 15 1.960 13.350 2.296
125 HA SER 15 HA SER 15 0.433 11.590 0.545
126 1HB SER 15 1HB SER 15 0.816 13.275 -0.834
127 2HB SER 15 2HB SER 15 2.094 13.947 0.175
128 HG SER 15 HG SER 15 3.553 12.952 -1.006
129 H ASP 16 H ASP 16 3.762 11.995 1.730
130 HA ASP 16 HA ASP 16 4.795 9.716 0.373
131 1HB ASP 16 1HB ASP 16 5.974 11.811 1.567
132 2HB ASP 16 2HB ASP 16 6.114 10.629 2.862
133 H HIS 17 H HIS 17 3.760 10.278 3.731
134 HA HIS 17 HA HIS 17 4.317 7.712 4.720
135 1HB HIS 17 1HB HIS 17 2.361 9.842 5.556
136 2HB HIS 17 2HB HIS 17 2.452 8.300 6.394
137 HD1 HIS 17 HD1 HIS 17 3.161 9.753 8.494
138 HD2 HIS 17 HD2 HIS 17 5.880 9.700 5.355
139 HE1 HIS 17 HE1 HIS 17 5.302 10.644 9.447
140 HE2 HIS 17 HE2 HIS 17 6.909 10.694 7.509
141 H LEU 18 H LEU 18 1.420 9.029 3.151
142 HA LEU 18 HA LEU 18 -0.280 6.840 3.505
143 1HB LEU 18 1HB LEU 18 -0.912 9.084 2.633
144 2HB LEU 18 2HB LEU 18 -0.154 8.672 1.116
145 HG LEU 18 HG LEU 18 -2.306 6.915 2.200
146 1HD1 LEU 18 1HD1 LEU 18 -3.852 8.361 0.747
147 2HD1 LEU 18 2HD1 LEU 18 -2.623 9.610 0.955
148 3HD1 LEU 18 3HD1 LEU 18 -3.439 8.936 2.362
149 1HD2 LEU 18 1HD2 LEU 18 -2.601 7.211 -0.509
150 2HD2 LEU 18 2HD2 LEU 18 -1.770 5.884 0.309
151 3HD2 LEU 18 3HD2 LEU 18 -0.852 7.268 -0.287
152 H THR 19 H THR 19 1.949 7.613 0.837
153 HA THR 19 HA THR 19 1.413 5.329 -0.682
154 HB THR 19 HB THR 19 4.048 6.815 -0.560
155 HG1 THR 19 HG1 THR 19 2.857 8.426 -1.190
156 1HG2 THR 19 1HG2 THR 19 4.275 6.216 -2.901
157 2HG2 THR 19 2HG2 THR 19 2.763 5.310 -2.827
158 3HG2 THR 19 3HG2 THR 19 4.157 4.777 -1.889
159 H LEU 20 H LEU 20 3.533 5.893 2.061
160 HA LEU 20 HA LEU 20 5.135 3.602 1.944
161 1HB LEU 20 1HB LEU 20 5.156 5.648 3.566
162 2HB LEU 20 2HB LEU 20 4.068 4.679 4.538
163 HG LEU 20 HG LEU 20 6.320 4.459 5.361
164 1HD1 LEU 20 1HD1 LEU 20 5.829 1.870 3.951
165 2HD1 LEU 20 2HD1 LEU 20 4.712 2.450 5.186
166 3HD1 LEU 20 3HD1 LEU 20 6.404 2.159 5.593
167 1HD2 LEU 20 1HD2 LEU 20 8.141 3.614 4.050
168 2HD2 LEU 20 2HD2 LEU 20 7.449 5.007 3.219
169 3HD2 LEU 20 3HD2 LEU 20 7.086 3.374 2.658
170 H HIS 21 H HIS 21 1.913 4.145 3.272
171 HA HIS 21 HA HIS 21 1.419 1.688 4.469
172 1HB HIS 21 1HB HIS 21 -0.539 2.707 4.863
173 2HB HIS 21 2HB HIS 21 -0.059 4.023 3.830
174 HD1 HIS 21 HD1 HIS 21 -2.071 4.546 2.441
175 HD2 HIS 21 HD2 HIS 21 -1.400 0.471 2.728
176 HE1 HIS 21 HE1 HIS 21 -3.880 3.421 1.088
177 H ILE 22 H ILE 22 0.802 2.725 1.162
178 HA ILE 22 HA ILE 22 -0.405 0.362 0.292
179 HB ILE 22 HB ILE 22 1.079 2.221 -1.548
180 1HG1 ILE 22 1HG1 ILE 22 -1.784 2.689 -0.946
181 2HG1 ILE 22 2HG1 ILE 22 -0.661 3.163 0.307
182 1HG2 ILE 22 1HG2 ILE 22 -0.085 1.251 -3.208
183 2HG2 ILE 22 2HG2 ILE 22 -1.572 1.209 -2.256
184 3HG2 ILE 22 3HG2 ILE 22 -0.360 -0.055 -2.055
185 1HD1 ILE 22 1HD1 ILE 22 0.440 4.191 -1.997
186 2HD1 ILE 22 2HD1 ILE 22 -0.477 5.070 -0.774
187 3HD1 ILE 22 3HD1 ILE 22 -1.295 4.430 -2.198
188 H LEU 23 H LEU 23 2.741 0.553 1.284
189 HA LEU 23 HA LEU 23 3.998 -1.037 -0.736
190 1HB LEU 23 1HB LEU 23 4.731 0.038 1.909
191 2HB LEU 23 2HB LEU 23 5.486 -1.488 1.504
192 HG LEU 23 HG LEU 23 6.288 -0.424 -0.634
193 1HD1 LEU 23 1HD1 LEU 23 5.385 2.102 0.743
194 2HD1 LEU 23 2HD1 LEU 23 4.680 1.413 -0.719
195 3HD1 LEU 23 3HD1 LEU 23 6.340 2.011 -0.737
196 1HD2 LEU 23 1HD2 LEU 23 7.263 0.962 1.854
197 2HD2 LEU 23 2HD2 LEU 23 8.176 0.588 0.393
198 3HD2 LEU 23 3HD2 LEU 23 7.648 -0.713 1.459
199 H LEU 24 H LEU 24 2.179 -1.665 2.215
200 HA LEU 24 HA LEU 24 2.824 -4.461 2.300
201 1HB LEU 24 1HB LEU 24 0.706 -4.482 3.836
202 2HB LEU 24 2HB LEU 24 2.236 -3.848 4.395
203 HG LEU 24 HG LEU 24 1.368 -1.549 3.804
204 1HD1 LEU 24 1HD1 LEU 24 -1.239 -3.060 3.606
205 2HD1 LEU 24 2HD1 LEU 24 -0.436 -2.187 2.301
206 3HD1 LEU 24 3HD1 LEU 24 -1.080 -1.304 3.684
207 1HD2 LEU 24 1HD2 LEU 24 0.604 -1.293 5.923
208 2HD2 LEU 24 2HD2 LEU 24 1.325 -2.898 6.065
209 3HD2 LEU 24 3HD2 LEU 24 -0.417 -2.731 5.847
210 H HIS 25 H HIS 25 0.670 -2.618 0.409
211 HA HIS 25 HA HIS 25 -1.509 -4.320 0.088
212 1HB HIS 25 1HB HIS 25 -0.344 -2.074 -1.373
213 2HB HIS 25 2HB HIS 25 -1.156 -3.225 -2.429
214 HD1 HIS 25 HD1 HIS 25 -3.709 -3.899 -1.305
215 HD2 HIS 25 HD2 HIS 25 -2.021 -0.184 -0.525
216 HE1 HIS 25 HE1 HIS 25 -5.608 -2.391 -0.588
217 H GLU 26 H GLU 26 1.697 -4.459 -1.383
218 HA GLU 26 HA GLU 26 1.219 -6.280 -3.430
219 1HB GLU 26 1HB GLU 26 3.595 -6.849 -3.297
220 2HB GLU 26 2HB GLU 26 3.352 -5.113 -3.166
221 1HG GLU 26 1HG GLU 26 4.651 -5.174 -1.374
222 2HG GLU 26 2HG GLU 26 3.331 -5.991 -0.539
223 H ASN 27 H ASN 27 1.592 -6.839 0.023
224 HA ASN 27 HA ASN 27 1.597 -9.727 -0.316
225 1HB ASN 27 1HB ASN 27 2.933 -8.397 1.460
226 2HB ASN 27 2HB ASN 27 1.401 -8.290 2.321
227 1HD2 ASN 27 1HD2 ASN 27 3.770 -10.523 0.989
228 2HD2 ASN 27 2HD2 ASN 27 3.393 -11.838 2.044
229 H LYS 28 H LYS 28 -0.068 -11.094 0.233
230 HA LYS 28 HA LYS 28 -2.715 -9.963 0.192
231 1HB LYS 28 1HB LYS 28 -1.689 -12.796 0.322
232 2HB LYS 28 2HB LYS 28 -3.404 -12.406 0.361
233 1HG LYS 28 1HG LYS 28 -2.744 -11.045 -1.825
234 2HG LYS 28 2HG LYS 28 -1.470 -12.266 -1.876
235 1HD LYS 28 1HD LYS 28 -3.478 -13.908 -1.432
236 2HD LYS 28 2HD LYS 28 -4.426 -12.587 -2.116
237 1HE LYS 28 1HE LYS 28 -3.942 -13.748 -4.023
238 2HE LYS 28 2HE LYS 28 -2.555 -12.662 -3.973
239 1HZ LYS 28 1HZ LYS 28 -2.606 -15.473 -3.010
240 2HZ LYS 28 2HZ LYS 28 -1.275 -14.432 -2.909
241 3HZ LYS 28 3HZ LYS 28 -1.858 -14.915 -4.421
242 H LYS 29 H LYS 29 -4.358 -10.316 1.762
243 HA LYS 29 HA LYS 29 -3.500 -9.903 4.438
244 1HB LYS 29 1HB LYS 29 -6.192 -10.354 3.169
245 2HB LYS 29 2HB LYS 29 -6.017 -10.227 4.915
246 1HG LYS 29 1HG LYS 29 -5.041 -8.000 4.654
247 2HG LYS 29 2HG LYS 29 -5.225 -8.128 2.904
248 1HD LYS 29 1HD LYS 29 -7.659 -8.623 4.500
249 2HD LYS 29 2HD LYS 29 -7.044 -6.968 4.522
250 1HE LYS 29 1HE LYS 29 -7.093 -6.902 2.089
251 2HE LYS 29 2HE LYS 29 -7.651 -8.573 2.040
252 1HZ LYS 29 1HZ LYS 29 -9.673 -7.907 3.164
253 2HZ LYS 29 2HZ LYS 29 -9.468 -6.994 1.756
254 3HZ LYS 29 3HZ LYS 29 -9.132 -6.306 3.264
Start of MODEL 12
1 H TYR 1 H TYR 1 -11.258 14.520 1.840
2 HA TYR 1 HA TYR 1 -9.823 14.234 3.715
3 1HB TYR 1 1HB TYR 1 -10.165 11.438 2.915
4 2HB TYR 1 2HB TYR 1 -8.483 11.863 3.217
5 HD1 TYR 1 HD1 TYR 1 -11.753 11.304 4.703
6 HD2 TYR 1 HD2 TYR 1 -7.790 12.660 5.451
7 HE1 TYR 1 HE1 TYR 1 -12.139 11.081 7.121
8 HE2 TYR 1 HE2 TYR 1 -8.165 12.441 7.871
9 HH TYR 1 HH TYR 1 -10.746 12.444 9.342
10 H LYS 2 H LYS 2 -7.293 13.721 3.413
11 HA LYS 2 HA LYS 2 -6.423 15.376 1.312
12 1HB LYS 2 1HB LYS 2 -5.286 14.268 3.606
13 2HB LYS 2 2HB LYS 2 -4.338 13.602 2.285
14 1HG LYS 2 1HG LYS 2 -4.899 16.528 2.338
15 2HG LYS 2 2HG LYS 2 -3.666 15.859 3.408
16 1HD LYS 2 1HD LYS 2 -2.368 15.087 1.609
17 2HD LYS 2 2HD LYS 2 -3.701 15.254 0.466
18 1HE LYS 2 1HE LYS 2 -3.599 17.707 0.767
19 2HE LYS 2 2HE LYS 2 -2.205 17.494 1.824
20 1HZ LYS 2 1HZ LYS 2 -0.987 16.526 -0.012
21 2HZ LYS 2 2HZ LYS 2 -1.554 18.061 -0.441
22 3HZ LYS 2 3HZ LYS 2 -2.331 16.679 -1.031
23 H PHE 3 H PHE 3 -5.883 11.857 1.742
24 HA PHE 3 HA PHE 3 -5.851 11.603 -1.186
25 1HB PHE 3 1HB PHE 3 -3.735 10.979 0.720
26 2HB PHE 3 2HB PHE 3 -4.187 9.594 -0.256
27 HD1 PHE 3 HD1 PHE 3 -4.455 10.163 -2.851
28 HD2 PHE 3 HD2 PHE 3 -2.085 12.352 -0.076
29 HE1 PHE 3 HE1 PHE 3 -3.091 11.029 -4.705
30 HE2 PHE 3 HE2 PHE 3 -0.717 13.223 -1.926
31 HZ PHE 3 HZ PHE 3 -1.220 12.562 -4.244
32 H ALA 4 H ALA 4 -5.970 9.181 -1.798
33 HA ALA 4 HA ALA 4 -7.537 7.557 0.035
34 1HB ALA 4 1HB ALA 4 -8.645 8.492 -2.610
35 2HB ALA 4 2HB ALA 4 -9.275 8.866 -1.007
36 3HB ALA 4 3HB ALA 4 -9.348 7.214 -1.619
37 H CYS 5 H CYS 5 -6.899 5.498 -0.136
38 HA CYS 5 HA CYS 5 -5.000 4.700 -2.096
39 1HB CYS 5 1HB CYS 5 -5.204 3.813 0.280
40 2HB CYS 5 2HB CYS 5 -6.549 2.842 -0.293
41 HG CYS 5 HG CYS 5 -4.769 1.204 -0.737
42 HA PRO 6 HA PRO 6 -7.783 3.344 -5.280
43 1HB PRO 6 1HB PRO 6 -6.033 1.916 -6.769
44 2HB PRO 6 2HB PRO 6 -6.020 3.682 -6.722
45 1HG PRO 6 1HG PRO 6 -4.279 1.735 -5.260
46 2HG PRO 6 2HG PRO 6 -3.831 3.246 -6.072
47 1HD PRO 6 1HD PRO 6 -4.161 3.049 -3.381
48 2HD PRO 6 2HD PRO 6 -4.476 4.543 -4.290
49 H GLU 7 H GLU 7 -6.020 1.166 -3.211
50 HA GLU 7 HA GLU 7 -7.540 -1.145 -4.152
51 1HB GLU 7 1HB GLU 7 -5.033 -0.754 -2.585
52 2HB GLU 7 2HB GLU 7 -5.957 -2.222 -2.328
53 1HG GLU 7 1HG GLU 7 -4.505 -2.897 -3.957
54 2HG GLU 7 2HG GLU 7 -5.883 -2.385 -4.930
55 H CYS 8 H CYS 8 -6.858 0.681 -1.162
56 HA CYS 8 HA CYS 8 -9.254 -0.558 0.034
57 1HB CYS 8 1HB CYS 8 -8.197 -0.506 2.183
58 2HB CYS 8 2HB CYS 8 -7.093 -1.276 1.058
59 HG CYS 8 HG CYS 8 -5.448 0.522 1.410
60 HA PRO 9 HA PRO 9 -10.647 3.537 0.960
61 1HB PRO 9 1HB PRO 9 -12.247 3.120 3.049
62 2HB PRO 9 2HB PRO 9 -12.556 2.336 1.495
63 1HG PRO 9 1HG PRO 9 -11.412 1.198 3.997
64 2HG PRO 9 2HG PRO 9 -12.446 0.430 2.782
65 1HD PRO 9 1HD PRO 9 -9.633 0.223 2.987
66 2HD PRO 9 2HD PRO 9 -10.641 -0.331 1.639
67 H LYS 10 H LYS 10 -7.962 3.146 2.131
68 HA LYS 10 HA LYS 10 -8.107 4.252 4.799
69 1HB LYS 10 1HB LYS 10 -5.710 3.721 3.026
70 2HB LYS 10 2HB LYS 10 -5.627 4.268 4.677
71 1HG LYS 10 1HG LYS 10 -7.119 1.768 4.074
72 2HG LYS 10 2HG LYS 10 -5.354 1.743 4.104
73 1HD LYS 10 1HD LYS 10 -6.931 2.935 6.362
74 2HD LYS 10 2HD LYS 10 -6.630 1.198 6.276
75 1HE LYS 10 1HE LYS 10 -4.149 1.940 5.928
76 2HE LYS 10 2HE LYS 10 -4.699 3.446 6.662
77 1HZ LYS 10 1HZ LYS 10 -5.473 2.173 8.577
78 2HZ LYS 10 2HZ LYS 10 -3.815 1.952 8.326
79 3HZ LYS 10 3HZ LYS 10 -4.906 0.741 7.875
80 H ARG 11 H ARG 11 -6.942 6.240 5.374
81 HA ARG 11 HA ARG 11 -6.717 8.236 3.257
82 1HB ARG 11 1HB ARG 11 -8.246 9.776 4.174
83 2HB ARG 11 2HB ARG 11 -9.091 8.237 4.186
84 1HG ARG 11 1HG ARG 11 -7.707 9.440 6.577
85 2HG ARG 11 2HG ARG 11 -9.428 9.591 6.230
86 1HD ARG 11 1HD ARG 11 -7.900 7.056 6.801
87 2HD ARG 11 2HD ARG 11 -9.108 7.825 7.826
88 HE ARG 11 HE ARG 11 -9.582 6.128 5.552
89 1HH1 ARG 11 1HH1 ARG 11 -10.950 8.630 7.588
90 2HH1 ARG 11 2HH1 ARG 11 -12.586 8.209 7.211
91 1HH2 ARG 11 1HH2 ARG 11 -11.738 5.580 5.064
92 2HH2 ARG 11 2HH2 ARG 11 -13.034 6.478 5.780
93 H PHE 12 H PHE 12 -5.072 9.617 3.576
94 HA PHE 12 HA PHE 12 -3.988 9.933 6.287
95 1HB PHE 12 1HB PHE 12 -2.232 9.406 3.918
96 2HB PHE 12 2HB PHE 12 -1.741 9.494 5.594
97 HD1 PHE 12 HD1 PHE 12 -4.192 7.574 3.533
98 HD2 PHE 12 HD2 PHE 12 -1.221 7.475 6.577
99 HE1 PHE 12 HE1 PHE 12 -4.445 5.151 3.686
100 HE2 PHE 12 HE2 PHE 12 -1.478 5.030 6.740
101 HZ PHE 12 HZ PHE 12 -3.093 3.866 5.277
102 H MET 13 H MET 13 -2.962 11.873 6.706
103 HA MET 13 HA MET 13 -3.692 14.068 5.008
104 1HB MET 13 1HB MET 13 -2.342 13.781 7.660
105 2HB MET 13 2HB MET 13 -2.194 15.305 6.796
106 1HG MET 13 1HG MET 13 -4.927 14.485 6.785
107 2HG MET 13 2HG MET 13 -4.304 14.424 8.433
108 1HE MET 13 1HE MET 13 -5.711 16.669 5.646
109 2HE MET 13 2HE MET 13 -4.000 16.653 5.221
110 3HE MET 13 3HE MET 13 -4.755 18.145 5.781
111 H ARG 14 H ARG 14 -0.845 12.126 5.456
112 HA ARG 14 HA ARG 14 0.802 14.022 3.944
113 1HB ARG 14 1HB ARG 14 1.491 11.543 5.524
114 2HB ARG 14 2HB ARG 14 2.657 12.391 4.522
115 1HG ARG 14 1HG ARG 14 3.074 13.256 6.615
116 2HG ARG 14 2HG ARG 14 1.998 14.466 5.915
117 1HD ARG 14 1HD ARG 14 0.565 14.178 7.587
118 2HD ARG 14 2HD ARG 14 0.401 12.472 7.164
119 HE ARG 14 HE ARG 14 2.756 13.030 8.705
120 1HH1 ARG 14 1HH1 ARG 14 -0.679 12.371 8.907
121 2HH1 ARG 14 2HH1 ARG 14 -0.587 11.742 10.517
122 1HH2 ARG 14 1HH2 ARG 14 2.871 12.202 10.822
123 2HH2 ARG 14 2HH2 ARG 14 1.429 11.647 11.607
124 H SER 15 H SER 15 2.124 13.218 2.176
125 HA SER 15 HA SER 15 0.621 11.367 0.505
126 1HB SER 15 1HB SER 15 1.093 12.982 -0.939
127 2HB SER 15 2HB SER 15 2.416 13.621 0.034
128 HG SER 15 HG SER 15 3.800 12.468 -1.087
129 H ASP 16 H ASP 16 3.917 11.776 1.776
130 HA ASP 16 HA ASP 16 4.943 9.388 0.625
131 1HB ASP 16 1HB ASP 16 6.156 11.507 1.666
132 2HB ASP 16 2HB ASP 16 6.141 10.503 3.109
133 H HIS 17 H HIS 17 3.748 10.196 3.876
134 HA HIS 17 HA HIS 17 4.211 7.707 5.079
135 1HB HIS 17 1HB HIS 17 2.201 9.881 5.626
136 2HB HIS 17 2HB HIS 17 2.257 8.410 6.585
137 HD1 HIS 17 HD1 HIS 17 2.750 10.404 8.443
138 HD2 HIS 17 HD2 HIS 17 5.808 9.398 5.816
139 HE1 HIS 17 HE1 HIS 17 4.855 11.276 9.499
140 HE2 HIS 17 HE2 HIS 17 6.682 10.736 7.850
141 H LEU 18 H LEU 18 1.340 8.952 3.386
142 HA LEU 18 HA LEU 18 -0.330 6.747 3.738
143 1HB LEU 18 1HB LEU 18 -0.937 8.993 2.800
144 2HB LEU 18 2HB LEU 18 -0.207 8.503 1.293
145 HG LEU 18 HG LEU 18 -2.360 6.821 2.489
146 1HD1 LEU 18 1HD1 LEU 18 -3.401 8.925 2.579
147 2HD1 LEU 18 2HD1 LEU 18 -3.953 8.187 1.076
148 3HD1 LEU 18 3HD1 LEU 18 -2.694 9.424 1.046
149 1HD2 LEU 18 1HD2 LEU 18 -1.808 5.700 0.645
150 2HD2 LEU 18 2HD2 LEU 18 -0.967 7.082 -0.061
151 3HD2 LEU 18 3HD2 LEU 18 -2.720 6.949 -0.206
152 H THR 19 H THR 19 1.972 7.481 1.131
153 HA THR 19 HA THR 19 1.471 5.202 -0.400
154 HB THR 19 HB THR 19 4.041 6.787 -0.159
155 HG1 THR 19 HG1 THR 19 2.770 8.231 -1.018
156 1HG2 THR 19 1HG2 THR 19 4.604 4.795 -1.302
157 2HG2 THR 19 2HG2 THR 19 4.395 6.049 -2.526
158 3HG2 THR 19 3HG2 THR 19 3.127 4.851 -2.265
159 H LEU 20 H LEU 20 3.489 5.713 2.436
160 HA LEU 20 HA LEU 20 5.043 3.373 2.306
161 1HB LEU 20 1HB LEU 20 5.357 5.309 3.884
162 2HB LEU 20 2HB LEU 20 4.003 4.700 4.813
163 HG LEU 20 HG LEU 20 5.885 2.576 4.451
164 1HD1 LEU 20 1HD1 LEU 20 7.801 3.511 5.640
165 2HD1 LEU 20 2HD1 LEU 20 7.057 5.109 5.591
166 3HD1 LEU 20 3HD1 LEU 20 7.550 4.320 4.093
167 1HD2 LEU 20 1HD2 LEU 20 5.863 2.570 6.883
168 2HD2 LEU 20 2HD2 LEU 20 4.230 2.763 6.248
169 3HD2 LEU 20 3HD2 LEU 20 5.094 4.158 6.896
170 H HIS 21 H HIS 21 1.793 3.999 3.501
171 HA HIS 21 HA HIS 21 1.288 1.523 4.727
172 1HB HIS 21 1HB HIS 21 -0.653 2.554 5.202
173 2HB HIS 21 2HB HIS 21 -0.105 3.931 4.290
174 HD1 HIS 21 HD1 HIS 21 -2.019 4.687 2.873
175 HD2 HIS 21 HD2 HIS 21 -1.690 0.565 2.950
176 HE1 HIS 21 HE1 HIS 21 -3.890 3.781 1.435
177 H ILE 22 H ILE 22 0.511 2.712 1.503
178 HA ILE 22 HA ILE 22 -0.802 0.481 0.553
179 HB ILE 22 HB ILE 22 0.877 2.242 -1.221
180 1HG1 ILE 22 1HG1 ILE 22 -1.967 2.890 -0.685
181 2HG1 ILE 22 2HG1 ILE 22 -0.840 3.288 0.588
182 1HG2 ILE 22 1HG2 ILE 22 -0.527 0.097 -1.935
183 2HG2 ILE 22 2HG2 ILE 22 -0.444 1.539 -2.945
184 3HG2 ILE 22 3HG2 ILE 22 -1.843 1.270 -1.902
185 1HD1 ILE 22 1HD1 ILE 22 0.321 4.217 -1.766
186 2HD1 ILE 22 2HD1 ILE 22 -0.423 5.159 -0.474
187 3HD1 ILE 22 3HD1 ILE 22 -1.386 4.646 -1.857
188 H LEU 23 H LEU 23 2.510 0.652 1.325
189 HA LEU 23 HA LEU 23 3.691 -1.012 -0.557
190 1HB LEU 23 1HB LEU 23 5.462 -1.125 0.858
191 2HB LEU 23 2HB LEU 23 4.613 0.199 1.629
192 HG LEU 23 HG LEU 23 3.534 -1.723 3.068
193 1HD1 LEU 23 1HD1 LEU 23 4.292 -3.741 2.458
194 2HD1 LEU 23 2HD1 LEU 23 5.737 -3.296 3.366
195 3HD1 LEU 23 3HD1 LEU 23 5.691 -3.071 1.617
196 1HD2 LEU 23 1HD2 LEU 23 4.669 -0.347 4.429
197 2HD2 LEU 23 2HD2 LEU 23 6.024 -0.193 3.311
198 3HD2 LEU 23 3HD2 LEU 23 5.913 -1.595 4.375
199 H LEU 24 H LEU 24 1.549 -1.770 2.148
200 HA LEU 24 HA LEU 24 1.910 -4.542 2.276
201 1HB LEU 24 1HB LEU 24 -0.540 -4.581 3.021
202 2HB LEU 24 2HB LEU 24 0.605 -3.681 3.991
203 HG LEU 24 HG LEU 24 -0.350 -1.747 2.290
204 1HD1 LEU 24 1HD1 LEU 24 -2.716 -3.417 3.092
205 2HD1 LEU 24 2HD1 LEU 24 -2.052 -3.361 1.460
206 3HD1 LEU 24 3HD1 LEU 24 -2.723 -1.900 2.191
207 1HD2 LEU 24 1HD2 LEU 24 0.029 -1.710 4.767
208 2HD2 LEU 24 2HD2 LEU 24 -1.560 -2.452 4.952
209 3HD2 LEU 24 3HD2 LEU 24 -1.414 -0.855 4.220
210 H HIS 25 H HIS 25 -0.178 -2.636 0.130
211 HA HIS 25 HA HIS 25 -1.494 -4.817 -1.090
212 1HB HIS 25 1HB HIS 25 -0.928 -2.064 -2.216
213 2HB HIS 25 2HB HIS 25 -2.076 -3.219 -2.882
214 HD1 HIS 25 HD1 HIS 25 -4.062 -3.904 -1.027
215 HD2 HIS 25 HD2 HIS 25 -2.028 -0.319 -0.522
216 HE1 HIS 25 HE1 HIS 25 -5.502 -2.474 0.486
217 H GLU 26 H GLU 26 1.414 -2.989 -2.025
218 HA GLU 26 HA GLU 26 1.892 -4.406 -4.430
219 1HB GLU 26 1HB GLU 26 3.765 -2.825 -2.659
220 2HB GLU 26 2HB GLU 26 4.206 -3.457 -4.237
221 1HG GLU 26 1HG GLU 26 3.378 -1.655 -5.205
222 2HG GLU 26 2HG GLU 26 1.789 -2.007 -4.529
223 H ASN 27 H ASN 27 3.694 -4.579 -1.345
224 HA ASN 27 HA ASN 27 4.452 -7.337 -2.037
225 1HB ASN 27 1HB ASN 27 6.261 -5.588 -1.642
226 2HB ASN 27 2HB ASN 27 5.768 -5.593 0.047
227 1HD2 ASN 27 1HD2 ASN 27 7.658 -6.410 0.850
228 2HD2 ASN 27 2HD2 ASN 27 8.201 -8.021 0.545
229 H LYS 28 H LYS 28 3.500 -8.928 -0.963
230 HA LYS 28 HA LYS 28 2.830 -8.619 1.850
231 1HB LYS 28 1HB LYS 28 0.510 -9.660 1.299
232 2HB LYS 28 2HB LYS 28 0.743 -7.928 1.114
233 1HG LYS 28 1HG LYS 28 0.636 -8.015 -1.170
234 2HG LYS 28 2HG LYS 28 1.205 -9.685 -1.243
235 1HD LYS 28 1HD LYS 28 -0.933 -10.479 -0.420
236 2HD LYS 28 2HD LYS 28 -1.505 -8.819 -0.233
237 1HE LYS 28 1HE LYS 28 -0.551 -9.795 -2.896
238 2HE LYS 28 2HE LYS 28 -2.177 -10.189 -2.340
239 1HZ LYS 28 1HZ LYS 28 -2.186 -8.187 -3.672
240 2HZ LYS 28 2HZ LYS 28 -1.059 -7.454 -2.645
241 3HZ LYS 28 3HZ LYS 28 -2.610 -7.817 -2.076
242 H LYS 29 H LYS 29 3.702 -10.327 2.792
243 HA LYS 29 HA LYS 29 4.030 -12.813 1.302
244 1HB LYS 29 1HB LYS 29 5.461 -13.506 3.195
245 2HB LYS 29 2HB LYS 29 5.988 -11.997 2.469
246 1HG LYS 29 1HG LYS 29 5.101 -10.728 4.287
247 2HG LYS 29 2HG LYS 29 4.313 -12.154 4.964
248 1HD LYS 29 1HD LYS 29 6.981 -12.887 4.731
249 2HD LYS 29 2HD LYS 29 7.037 -11.212 5.280
250 1HE LYS 29 1HE LYS 29 5.236 -13.216 6.598
251 2HE LYS 29 2HE LYS 29 6.938 -13.094 7.042
252 1HZ LYS 29 1HZ LYS 29 6.580 -10.752 7.574
253 2HZ LYS 29 2HZ LYS 29 5.576 -11.751 8.497
254 3HZ LYS 29 3HZ LYS 29 4.940 -10.899 7.181
Start of MODEL 13
1 H TYR 1 H TYR 1 -9.400 13.258 6.327
2 HA TYR 1 HA TYR 1 -7.718 12.084 4.877
3 1HB TYR 1 1HB TYR 1 -9.557 11.145 3.538
4 2HB TYR 1 2HB TYR 1 -10.042 11.383 5.209
5 HD1 TYR 1 HD1 TYR 1 -10.972 11.847 1.852
6 HD2 TYR 1 HD2 TYR 1 -11.292 13.670 5.685
7 HE1 TYR 1 HE1 TYR 1 -12.943 13.100 1.087
8 HE2 TYR 1 HE2 TYR 1 -13.262 14.929 4.927
9 HH TYR 1 HH TYR 1 -14.044 15.591 2.082
10 H LYS 2 H LYS 2 -6.176 13.505 3.949
11 HA LYS 2 HA LYS 2 -6.812 15.255 1.794
12 1HB LYS 2 1HB LYS 2 -4.237 14.148 2.884
13 2HB LYS 2 2HB LYS 2 -4.259 15.134 1.429
14 1HG LYS 2 1HG LYS 2 -5.723 16.289 3.687
15 2HG LYS 2 2HG LYS 2 -3.991 16.084 3.961
16 1HD LYS 2 1HD LYS 2 -3.472 17.367 1.995
17 2HD LYS 2 2HD LYS 2 -5.176 17.444 1.544
18 1HE LYS 2 1HE LYS 2 -5.428 18.545 3.912
19 2HE LYS 2 2HE LYS 2 -3.711 18.888 3.704
20 1HZ LYS 2 1HZ LYS 2 -5.046 20.722 2.916
21 2HZ LYS 2 2HZ LYS 2 -5.889 19.708 1.858
22 3HZ LYS 2 3HZ LYS 2 -4.242 20.005 1.612
23 H PHE 3 H PHE 3 -5.332 12.012 1.929
24 HA PHE 3 HA PHE 3 -5.861 11.746 -0.955
25 1HB PHE 3 1HB PHE 3 -3.546 11.035 0.725
26 2HB PHE 3 2HB PHE 3 -4.042 9.800 -0.414
27 HD1 PHE 3 HD1 PHE 3 -3.812 10.133 -2.795
28 HD2 PHE 3 HD2 PHE 3 -2.714 13.182 -0.037
29 HE1 PHE 3 HE1 PHE 3 -2.616 11.319 -4.588
30 HE2 PHE 3 HE2 PHE 3 -1.518 14.374 -1.824
31 HZ PHE 3 HZ PHE 3 -1.467 13.443 -4.104
32 H ALA 4 H ALA 4 -5.980 9.335 -1.591
33 HA ALA 4 HA ALA 4 -7.270 7.639 0.391
34 1HB ALA 4 1HB ALA 4 -9.261 7.266 -0.982
35 2HB ALA 4 2HB ALA 4 -8.696 8.476 -2.134
36 3HB ALA 4 3HB ALA 4 -9.127 8.956 -0.492
37 H CYS 5 H CYS 5 -6.919 5.494 0.011
38 HA CYS 5 HA CYS 5 -5.038 4.785 -2.018
39 1HB CYS 5 1HB CYS 5 -5.298 3.747 0.326
40 2HB CYS 5 2HB CYS 5 -6.597 2.800 -0.382
41 HG CYS 5 HG CYS 5 -4.884 1.253 -1.165
42 HA PRO 6 HA PRO 6 -7.914 3.664 -5.210
43 1HB PRO 6 1HB PRO 6 -6.235 2.326 -6.837
44 2HB PRO 6 2HB PRO 6 -6.155 4.081 -6.644
45 1HG PRO 6 1HG PRO 6 -4.461 1.958 -5.386
46 2HG PRO 6 2HG PRO 6 -3.972 3.516 -6.077
47 1HD PRO 6 1HD PRO 6 -4.284 3.087 -3.401
48 2HD PRO 6 2HD PRO 6 -4.509 4.670 -4.173
49 H GLU 7 H GLU 7 -6.163 1.343 -3.307
50 HA GLU 7 HA GLU 7 -7.732 -0.887 -4.366
51 1HB GLU 7 1HB GLU 7 -5.161 -0.620 -2.891
52 2HB GLU 7 2HB GLU 7 -6.099 -2.079 -2.630
53 1HG GLU 7 1HG GLU 7 -4.636 -2.636 -4.349
54 2HG GLU 7 2HG GLU 7 -6.154 -2.287 -5.174
55 H CYS 8 H CYS 8 -6.881 0.656 -1.262
56 HA CYS 8 HA CYS 8 -9.247 -0.631 -0.061
57 1HB CYS 8 1HB CYS 8 -8.133 -0.586 2.059
58 2HB CYS 8 2HB CYS 8 -7.027 -1.286 0.890
59 HG CYS 8 HG CYS 8 -5.463 0.599 1.203
60 HA PRO 9 HA PRO 9 -10.771 3.380 0.984
61 1HB PRO 9 1HB PRO 9 -12.233 2.879 3.167
62 2HB PRO 9 2HB PRO 9 -12.617 2.141 1.609
63 1HG PRO 9 1HG PRO 9 -11.344 0.941 4.009
64 2HG PRO 9 2HG PRO 9 -12.386 0.188 2.790
65 1HD PRO 9 1HD PRO 9 -9.557 0.081 2.920
66 2HD PRO 9 2HD PRO 9 -10.584 -0.488 1.594
67 H LYS 10 H LYS 10 -8.018 3.073 2.029
68 HA LYS 10 HA LYS 10 -8.097 4.209 4.692
69 1HB LYS 10 1HB LYS 10 -5.740 3.699 2.863
70 2HB LYS 10 2HB LYS 10 -5.631 4.250 4.511
71 1HG LYS 10 1HG LYS 10 -7.173 1.782 4.133
72 2HG LYS 10 2HG LYS 10 -5.450 1.674 3.774
73 1HD LYS 10 1HD LYS 10 -6.062 3.105 6.255
74 2HD LYS 10 2HD LYS 10 -6.566 1.414 6.258
75 1HE LYS 10 1HE LYS 10 -3.820 2.222 5.362
76 2HE LYS 10 2HE LYS 10 -4.191 1.989 7.069
77 1HZ LYS 10 1HZ LYS 10 -3.305 -0.027 6.161
78 2HZ LYS 10 2HZ LYS 10 -4.445 -0.036 4.912
79 3HZ LYS 10 3HZ LYS 10 -4.943 -0.275 6.510
80 H ARG 11 H ARG 11 -7.020 6.235 5.205
81 HA ARG 11 HA ARG 11 -6.825 8.190 3.044
82 1HB ARG 11 1HB ARG 11 -8.211 9.792 4.533
83 2HB ARG 11 2HB ARG 11 -9.061 8.613 3.546
84 1HG ARG 11 1HG ARG 11 -9.443 7.201 5.437
85 2HG ARG 11 2HG ARG 11 -8.404 8.202 6.455
86 1HD ARG 11 1HD ARG 11 -9.947 9.945 6.526
87 2HD ARG 11 2HD ARG 11 -10.810 9.366 5.102
88 HE ARG 11 HE ARG 11 -11.030 7.428 7.103
89 1HH1 ARG 11 1HH1 ARG 11 -12.093 10.704 6.476
90 2HH1 ARG 11 2HH1 ARG 11 -13.532 10.548 7.425
91 1HH2 ARG 11 1HH2 ARG 11 -12.923 7.231 8.355
92 2HH2 ARG 11 2HH2 ARG 11 -14.002 8.579 8.494
93 H PHE 12 H PHE 12 -5.188 9.593 3.353
94 HA PHE 12 HA PHE 12 -4.170 9.987 6.081
95 1HB PHE 12 1HB PHE 12 -2.352 9.470 3.759
96 2HB PHE 12 2HB PHE 12 -1.908 9.572 5.447
97 HD1 PHE 12 HD1 PHE 12 -4.284 7.604 3.342
98 HD2 PHE 12 HD2 PHE 12 -1.365 7.568 6.436
99 HE1 PHE 12 HE1 PHE 12 -4.501 5.177 3.505
100 HE2 PHE 12 HE2 PHE 12 -1.586 5.120 6.609
101 HZ PHE 12 HZ PHE 12 -3.157 3.923 5.128
102 H MET 13 H MET 13 -3.127 11.935 6.471
103 HA MET 13 HA MET 13 -3.851 14.088 4.699
104 1HB MET 13 1HB MET 13 -2.859 15.549 6.422
105 2HB MET 13 2HB MET 13 -4.036 14.432 7.095
106 1HG MET 13 1HG MET 13 -2.364 13.100 8.078
107 2HG MET 13 2HG MET 13 -1.088 13.875 7.141
108 1HE MET 13 1HE MET 13 -2.915 13.721 10.438
109 2HE MET 13 2HE MET 13 -1.762 14.725 11.319
110 3HE MET 13 3HE MET 13 -1.191 13.357 10.364
111 H ARG 14 H ARG 14 -1.041 12.151 5.272
112 HA ARG 14 HA ARG 14 0.691 14.026 3.832
113 1HB ARG 14 1HB ARG 14 1.311 11.500 5.372
114 2HB ARG 14 2HB ARG 14 2.512 12.440 4.500
115 1HG ARG 14 1HG ARG 14 1.414 14.367 6.039
116 2HG ARG 14 2HG ARG 14 1.216 12.959 7.084
117 1HD ARG 14 1HD ARG 14 3.317 13.954 7.609
118 2HD ARG 14 2HD ARG 14 3.639 12.457 6.732
119 HE ARG 14 HE ARG 14 3.583 14.476 4.843
120 1HH1 ARG 14 1HH1 ARG 14 5.493 13.663 7.662
121 2HH1 ARG 14 2HH1 ARG 14 6.926 14.428 7.063
122 1HH2 ARG 14 1HH2 ARG 14 5.473 15.481 4.058
123 2HH2 ARG 14 2HH2 ARG 14 6.915 15.460 5.016
124 H SER 15 H SER 15 2.052 13.217 2.100
125 HA SER 15 HA SER 15 0.594 11.346 0.401
126 1HB SER 15 1HB SER 15 1.133 12.755 -1.202
127 2HB SER 15 2HB SER 15 2.069 13.729 -0.072
128 HG SER 15 HG SER 15 3.876 12.825 -0.767
129 H ASP 16 H ASP 16 3.863 11.819 1.719
130 HA ASP 16 HA ASP 16 4.939 9.444 0.583
131 1HB ASP 16 1HB ASP 16 6.070 11.610 1.711
132 2HB ASP 16 2HB ASP 16 6.147 10.495 3.069
133 H HIS 17 H HIS 17 3.754 10.246 3.845
134 HA HIS 17 HA HIS 17 4.229 7.755 5.037
135 1HB HIS 17 1HB HIS 17 2.244 9.944 5.608
136 2HB HIS 17 2HB HIS 17 2.259 8.457 6.546
137 HD1 HIS 17 HD1 HIS 17 2.778 10.534 8.372
138 HD2 HIS 17 HD2 HIS 17 5.845 9.248 5.881
139 HE1 HIS 17 HE1 HIS 17 4.904 11.307 9.469
140 HE2 HIS 17 HE2 HIS 17 6.750 10.437 7.991
141 H LEU 18 H LEU 18 1.373 8.985 3.317
142 HA LEU 18 HA LEU 18 -0.312 6.788 3.698
143 1HB LEU 18 1HB LEU 18 -0.919 9.015 2.738
144 2HB LEU 18 2HB LEU 18 -0.147 8.538 1.249
145 HG LEU 18 HG LEU 18 -2.343 6.865 2.388
146 1HD1 LEU 18 1HD1 LEU 18 -3.454 8.900 2.390
147 2HD1 LEU 18 2HD1 LEU 18 -3.819 8.249 0.794
148 3HD1 LEU 18 3HD1 LEU 18 -2.575 9.486 0.981
149 1HD2 LEU 18 1HD2 LEU 18 -1.761 5.706 0.582
150 2HD2 LEU 18 2HD2 LEU 18 -0.831 7.048 -0.088
151 3HD2 LEU 18 3HD2 LEU 18 -2.575 6.977 -0.335
152 H THR 19 H THR 19 2.017 7.485 1.102
153 HA THR 19 HA THR 19 1.521 5.203 -0.418
154 HB THR 19 HB THR 19 4.113 6.742 -0.134
155 HG1 THR 19 HG1 THR 19 2.868 8.201 -1.014
156 1HG2 THR 19 1HG2 THR 19 4.671 4.741 -1.251
157 2HG2 THR 19 2HG2 THR 19 4.487 5.977 -2.497
158 3HG2 THR 19 3HG2 THR 19 3.206 4.795 -2.231
159 H LEU 20 H LEU 20 3.512 5.705 2.443
160 HA LEU 20 HA LEU 20 5.044 3.362 2.373
161 1HB LEU 20 1HB LEU 20 5.357 5.237 3.974
162 2HB LEU 20 2HB LEU 20 3.896 4.750 4.804
163 HG LEU 20 HG LEU 20 6.090 4.062 5.862
164 1HD1 LEU 20 1HD1 LEU 20 5.050 2.356 6.895
165 2HD1 LEU 20 2HD1 LEU 20 4.613 1.559 5.384
166 3HD1 LEU 20 3HD1 LEU 20 3.662 2.925 5.967
167 1HD2 LEU 20 1HD2 LEU 20 7.120 3.373 3.670
168 2HD2 LEU 20 2HD2 LEU 20 6.097 1.938 3.731
169 3HD2 LEU 20 3HD2 LEU 20 7.299 2.218 4.991
170 H HIS 21 H HIS 21 1.787 3.986 3.570
171 HA HIS 21 HA HIS 21 1.224 1.494 4.702
172 1HB HIS 21 1HB HIS 21 -0.717 2.527 5.147
173 2HB HIS 21 2HB HIS 21 -0.131 3.919 4.283
174 HD1 HIS 21 HD1 HIS 21 -1.961 4.732 2.802
175 HD2 HIS 21 HD2 HIS 21 -1.769 0.596 2.886
176 HE1 HIS 21 HE1 HIS 21 -3.815 3.896 1.305
177 H ILE 22 H ILE 22 0.605 2.697 1.444
178 HA ILE 22 HA ILE 22 -0.714 0.430 0.497
179 HB ILE 22 HB ILE 22 0.926 2.200 -1.298
180 1HG1 ILE 22 1HG1 ILE 22 -1.902 2.885 -0.741
181 2HG1 ILE 22 2HG1 ILE 22 -0.762 3.273 0.528
182 1HG2 ILE 22 1HG2 ILE 22 -0.609 0.045 -1.887
183 2HG2 ILE 22 2HG2 ILE 22 -0.334 1.395 -2.989
184 3HG2 ILE 22 3HG2 ILE 22 -1.798 1.343 -2.002
185 1HD1 ILE 22 1HD1 ILE 22 -1.283 4.607 -1.951
186 2HD1 ILE 22 2HD1 ILE 22 0.422 4.181 -1.810
187 3HD1 ILE 22 3HD1 ILE 22 -0.354 5.142 -0.553
188 H LEU 23 H LEU 23 2.530 0.582 1.387
189 HA LEU 23 HA LEU 23 3.770 -0.998 -0.571
190 1HB LEU 23 1HB LEU 23 4.342 -0.234 2.212
191 2HB LEU 23 2HB LEU 23 5.045 -1.759 1.719
192 HG LEU 23 HG LEU 23 6.092 -0.572 -0.224
193 1HD1 LEU 23 1HD1 LEU 23 4.601 1.336 -0.356
194 2HD1 LEU 23 2HD1 LEU 23 6.263 1.871 -0.106
195 3HD1 LEU 23 3HD1 LEU 23 5.122 1.878 1.238
196 1HD2 LEU 23 1HD2 LEU 23 7.371 -1.082 1.775
197 2HD2 LEU 23 2HD2 LEU 23 6.809 0.407 2.536
198 3HD2 LEU 23 3HD2 LEU 23 7.855 0.482 1.118
199 H LEU 24 H LEU 24 1.760 -1.874 2.228
200 HA LEU 24 HA LEU 24 2.312 -4.641 2.199
201 1HB LEU 24 1HB LEU 24 -0.242 -4.693 3.038
202 2HB LEU 24 2HB LEU 24 1.130 -4.354 4.066
203 HG LEU 24 HG LEU 24 0.680 -1.901 3.648
204 1HD1 LEU 24 1HD1 LEU 24 -0.697 -1.782 1.779
205 2HD1 LEU 24 2HD1 LEU 24 -1.829 -1.543 3.109
206 3HD1 LEU 24 3HD1 LEU 24 -1.713 -3.117 2.321
207 1HD2 LEU 24 1HD2 LEU 24 -1.650 -3.192 4.977
208 2HD2 LEU 24 2HD2 LEU 24 -0.689 -1.803 5.488
209 3HD2 LEU 24 3HD2 LEU 24 -0.024 -3.433 5.617
210 H HIS 25 H HIS 25 0.083 -2.721 0.267
211 HA HIS 25 HA HIS 25 -1.426 -4.824 -0.834
212 1HB HIS 25 1HB HIS 25 -0.729 -2.101 -1.947
213 2HB HIS 25 2HB HIS 25 -1.866 -3.204 -2.715
214 HD1 HIS 25 HD1 HIS 25 -3.765 -4.056 -0.667
215 HD2 HIS 25 HD2 HIS 25 -2.069 -0.267 -0.562
216 HE1 HIS 25 HE1 HIS 25 -5.298 -2.629 0.750
217 H GLU 26 H GLU 26 1.612 -3.325 -1.870
218 HA GLU 26 HA GLU 26 1.860 -4.789 -4.290
219 1HB GLU 26 1HB GLU 26 4.099 -3.579 -2.660
220 2HB GLU 26 2HB GLU 26 4.123 -3.956 -4.376
221 1HG GLU 26 1HG GLU 26 2.664 -1.755 -2.960
222 2HG GLU 26 2HG GLU 26 3.844 -1.640 -4.263
223 H ASN 27 H ASN 27 3.203 -5.259 -1.030
224 HA ASN 27 HA ASN 27 3.727 -8.066 -1.744
225 1HB ASN 27 1HB ASN 27 5.573 -6.072 -0.509
226 2HB ASN 27 2HB ASN 27 5.662 -7.739 0.052
227 1HD2 ASN 27 1HD2 ASN 27 6.416 -9.330 -1.321
228 2HD2 ASN 27 2HD2 ASN 27 7.200 -8.973 -2.818
229 H LYS 28 H LYS 28 2.069 -9.020 -0.693
230 HA LYS 28 HA LYS 28 1.639 -8.335 2.136
231 1HB LYS 28 1HB LYS 28 -0.164 -8.742 -0.010
232 2HB LYS 28 2HB LYS 28 -0.383 -10.092 1.092
233 1HG LYS 28 1HG LYS 28 -0.341 -7.274 2.099
234 2HG LYS 28 2HG LYS 28 -1.809 -7.985 1.426
235 1HD LYS 28 1HD LYS 28 -1.540 -9.866 3.062
236 2HD LYS 28 2HD LYS 28 -0.226 -8.951 3.804
237 1HE LYS 28 1HE LYS 28 -2.985 -7.813 3.434
238 2HE LYS 28 2HE LYS 28 -2.526 -8.731 4.867
239 1HZ LYS 28 1HZ LYS 28 -0.702 -7.105 5.194
240 2HZ LYS 28 2HZ LYS 28 -2.244 -6.424 5.325
241 3HZ LYS 28 3HZ LYS 28 -1.332 -6.183 3.921
242 H LYS 29 H LYS 29 3.779 -9.682 2.172
243 HA LYS 29 HA LYS 29 3.022 -12.438 2.859
244 1HB LYS 29 1HB LYS 29 5.372 -11.547 1.196
245 2HB LYS 29 2HB LYS 29 5.343 -13.103 2.015
246 1HG LYS 29 1HG LYS 29 3.266 -13.657 0.779
247 2HG LYS 29 2HG LYS 29 3.440 -12.144 -0.111
248 1HD LYS 29 1HD LYS 29 5.687 -12.924 -0.860
249 2HD LYS 29 2HD LYS 29 5.350 -14.478 -0.094
250 1HE LYS 29 1HE LYS 29 3.385 -14.750 -1.540
251 2HE LYS 29 2HE LYS 29 3.747 -13.208 -2.313
252 1HZ LYS 29 1HZ LYS 29 5.488 -15.616 -2.339
253 2HZ LYS 29 2HZ LYS 29 5.858 -14.132 -3.065
254 3HZ LYS 29 3HZ LYS 29 4.556 -15.051 -3.633
Start of MODEL 14
1 H TYR 1 H TYR 1 -9.695 15.573 3.952
2 HA TYR 1 HA TYR 1 -8.350 13.656 4.726
3 1HB TYR 1 1HB TYR 1 -9.848 12.289 2.475
4 2HB TYR 1 2HB TYR 1 -8.551 11.594 3.440
5 HD1 TYR 1 HD1 TYR 1 -11.835 11.214 2.936
6 HD2 TYR 1 HD2 TYR 1 -9.222 12.144 6.163
7 HE1 TYR 1 HE1 TYR 1 -13.499 10.350 4.525
8 HE2 TYR 1 HE2 TYR 1 -10.879 11.281 7.760
9 HH TYR 1 HH TYR 1 -13.067 9.342 7.276
10 H LYS 2 H LYS 2 -6.349 13.505 3.716
11 HA LYS 2 HA LYS 2 -5.962 15.326 1.505
12 1HB LYS 2 1HB LYS 2 -4.419 15.345 3.417
13 2HB LYS 2 2HB LYS 2 -3.950 13.690 3.059
14 1HG LYS 2 1HG LYS 2 -2.228 14.924 2.142
15 2HG LYS 2 2HG LYS 2 -3.269 14.616 0.752
16 1HD LYS 2 1HD LYS 2 -4.309 16.946 1.709
17 2HD LYS 2 2HD LYS 2 -2.597 17.140 2.088
18 1HE LYS 2 1HE LYS 2 -3.649 16.367 -0.629
19 2HE LYS 2 2HE LYS 2 -3.280 18.023 -0.152
20 1HZ LYS 2 1HZ LYS 2 -1.423 17.112 -1.326
21 2HZ LYS 2 2HZ LYS 2 -1.366 15.758 -0.316
22 3HZ LYS 2 3HZ LYS 2 -0.981 17.287 0.298
23 H PHE 3 H PHE 3 -4.832 11.966 2.082
24 HA PHE 3 HA PHE 3 -5.027 11.535 -0.824
25 1HB PHE 3 1HB PHE 3 -2.950 10.880 1.143
26 2HB PHE 3 2HB PHE 3 -3.384 9.545 0.097
27 HD1 PHE 3 HD1 PHE 3 -2.207 9.309 -1.858
28 HD2 PHE 3 HD2 PHE 3 -2.653 13.189 -0.168
29 HE1 PHE 3 HE1 PHE 3 -0.799 10.246 -3.644
30 HE2 PHE 3 HE2 PHE 3 -1.248 14.133 -1.952
31 HZ PHE 3 HZ PHE 3 -0.319 12.661 -3.695
32 H ALA 4 H ALA 4 -5.383 9.244 -1.467
33 HA ALA 4 HA ALA 4 -6.765 7.542 0.427
34 1HB ALA 4 1HB ALA 4 -8.571 9.011 -0.243
35 2HB ALA 4 2HB ALA 4 -8.825 7.403 -0.920
36 3HB ALA 4 3HB ALA 4 -8.223 8.706 -1.945
37 H CYS 5 H CYS 5 -6.472 5.435 -0.064
38 HA CYS 5 HA CYS 5 -4.807 4.724 -2.268
39 1HB CYS 5 1HB CYS 5 -4.944 3.584 0.029
40 2HB CYS 5 2HB CYS 5 -6.372 2.770 -0.587
41 HG CYS 5 HG CYS 5 -3.670 2.398 -2.062
42 HA PRO 6 HA PRO 6 -8.016 3.996 -5.261
43 1HB PRO 6 1HB PRO 6 -6.556 2.705 -7.128
44 2HB PRO 6 2HB PRO 6 -6.383 4.438 -6.829
45 1HG PRO 6 1HG PRO 6 -4.675 2.173 -5.874
46 2HG PRO 6 2HG PRO 6 -4.184 3.753 -6.512
47 1HD PRO 6 1HD PRO 6 -4.257 3.168 -3.851
48 2HD PRO 6 2HD PRO 6 -4.504 4.804 -4.498
49 H GLU 7 H GLU 7 -6.299 1.507 -3.596
50 HA GLU 7 HA GLU 7 -8.021 -0.592 -4.701
51 1HB GLU 7 1HB GLU 7 -5.422 -0.747 -4.452
52 2HB GLU 7 2HB GLU 7 -5.784 -1.093 -2.768
53 1HG GLU 7 1HG GLU 7 -7.335 -2.917 -3.668
54 2HG GLU 7 2HG GLU 7 -6.498 -2.685 -5.203
55 H CYS 8 H CYS 8 -6.974 0.799 -1.589
56 HA CYS 8 HA CYS 8 -9.345 -0.438 -0.341
57 1HB CYS 8 1HB CYS 8 -8.132 -0.521 1.748
58 2HB CYS 8 2HB CYS 8 -7.187 -1.311 0.496
59 HG CYS 8 HG CYS 8 -5.412 0.389 0.725
60 HA PRO 9 HA PRO 9 -10.578 3.605 0.951
61 1HB PRO 9 1HB PRO 9 -12.099 3.066 3.067
62 2HB PRO 9 2HB PRO 9 -12.487 2.405 1.474
63 1HG PRO 9 1HG PRO 9 -11.257 1.065 3.834
64 2HG PRO 9 2HG PRO 9 -12.372 0.410 2.623
65 1HD PRO 9 1HD PRO 9 -9.564 0.117 2.666
66 2HD PRO 9 2HD PRO 9 -10.649 -0.300 1.329
67 H LYS 10 H LYS 10 -7.859 3.248 1.901
68 HA LYS 10 HA LYS 10 -7.916 4.165 4.667
69 1HB LYS 10 1HB LYS 10 -5.451 3.853 2.955
70 2HB LYS 10 2HB LYS 10 -5.554 3.907 4.689
71 1HG LYS 10 1HG LYS 10 -7.073 1.726 3.473
72 2HG LYS 10 2HG LYS 10 -5.327 1.644 3.239
73 1HD LYS 10 1HD LYS 10 -6.261 2.291 5.969
74 2HD LYS 10 2HD LYS 10 -6.574 0.650 5.397
75 1HE LYS 10 1HE LYS 10 -4.159 0.482 4.789
76 2HE LYS 10 2HE LYS 10 -3.908 2.045 5.563
77 1HZ LYS 10 1HZ LYS 10 -3.369 0.219 7.049
78 2HZ LYS 10 2HZ LYS 10 -4.937 -0.397 6.904
79 3HZ LYS 10 3HZ LYS 10 -4.683 1.102 7.646
80 H ARG 11 H ARG 11 -7.068 6.152 5.342
81 HA ARG 11 HA ARG 11 -6.604 8.187 3.280
82 1HB ARG 11 1HB ARG 11 -8.025 9.787 4.605
83 2HB ARG 11 2HB ARG 11 -8.914 8.508 3.790
84 1HG ARG 11 1HG ARG 11 -8.289 7.541 6.361
85 2HG ARG 11 2HG ARG 11 -8.868 9.195 6.562
86 1HD ARG 11 1HD ARG 11 -10.965 8.689 5.863
87 2HD ARG 11 2HD ARG 11 -10.404 7.488 4.703
88 HE ARG 11 HE ARG 11 -10.704 5.878 6.290
89 1HH1 ARG 11 1HH1 ARG 11 -10.617 8.984 7.906
90 2HH1 ARG 11 2HH1 ARG 11 -11.040 8.329 9.450
91 1HH2 ARG 11 1HH2 ARG 11 -11.262 5.022 8.329
92 2HH2 ARG 11 2HH2 ARG 11 -11.405 6.081 9.692
93 H PHE 12 H PHE 12 -4.911 9.471 3.716
94 HA PHE 12 HA PHE 12 -3.954 9.632 6.494
95 1HB PHE 12 1HB PHE 12 -2.180 9.319 4.098
96 2HB PHE 12 2HB PHE 12 -1.664 9.362 5.765
97 HD1 PHE 12 HD1 PHE 12 -4.169 7.459 3.774
98 HD2 PHE 12 HD2 PHE 12 -0.984 7.306 6.583
99 HE1 PHE 12 HE1 PHE 12 -4.379 5.032 3.858
100 HE2 PHE 12 HE2 PHE 12 -1.194 4.849 6.674
101 HZ PHE 12 HZ PHE 12 -2.904 3.713 5.294
102 H MET 13 H MET 13 -2.924 11.532 7.103
103 HA MET 13 HA MET 13 -3.803 13.893 5.812
104 1HB MET 13 1HB MET 13 -1.808 13.421 8.026
105 2HB MET 13 2HB MET 13 -2.243 15.028 7.462
106 1HG MET 13 1HG MET 13 -4.629 14.461 7.993
107 2HG MET 13 2HG MET 13 -4.029 12.994 8.764
108 1HE MET 13 1HE MET 13 -4.951 14.491 11.844
109 2HE MET 13 2HE MET 13 -3.548 13.423 11.858
110 3HE MET 13 3HE MET 13 -4.866 13.131 10.724
111 H ARG 14 H ARG 14 -0.773 12.101 5.724
112 HA ARG 14 HA ARG 14 0.433 14.159 4.021
113 1HB ARG 14 1HB ARG 14 1.514 11.899 5.650
114 2HB ARG 14 2HB ARG 14 2.442 12.467 4.270
115 1HG ARG 14 1HG ARG 14 3.169 14.245 5.379
116 2HG ARG 14 2HG ARG 14 1.540 14.672 5.905
117 1HD ARG 14 1HD ARG 14 2.058 14.026 7.963
118 2HD ARG 14 2HD ARG 14 2.301 12.382 7.368
119 HE ARG 14 HE ARG 14 4.648 13.566 6.787
120 1HH1 ARG 14 1HH1 ARG 14 2.764 13.420 9.738
121 2HH1 ARG 14 2HH1 ARG 14 4.149 13.528 10.770
122 1HH2 ARG 14 1HH2 ARG 14 6.464 13.706 8.153
123 2HH2 ARG 14 2HH2 ARG 14 6.251 13.692 9.871
124 H SER 15 H SER 15 1.707 13.395 2.144
125 HA SER 15 HA SER 15 0.095 11.576 0.551
126 1HB SER 15 1HB SER 15 0.846 12.656 -1.258
127 2HB SER 15 2HB SER 15 1.221 13.922 -0.095
128 HG SER 15 HG SER 15 2.905 12.333 -1.577
129 H ASP 16 H ASP 16 3.459 11.892 1.640
130 HA ASP 16 HA ASP 16 4.350 9.480 0.428
131 1HB ASP 16 1HB ASP 16 6.411 9.860 1.513
132 2HB ASP 16 2HB ASP 16 5.775 11.470 1.205
133 H HIS 17 H HIS 17 2.881 10.263 3.505
134 HA HIS 17 HA HIS 17 3.543 7.885 4.875
135 1HB HIS 17 1HB HIS 17 1.484 10.022 5.233
136 2HB HIS 17 2HB HIS 17 1.337 8.529 6.146
137 HD1 HIS 17 HD1 HIS 17 1.819 9.678 8.378
138 HD2 HIS 17 HD2 HIS 17 4.858 10.115 5.581
139 HE1 HIS 17 HE1 HIS 17 3.764 10.615 9.643
140 HE2 HIS 17 HE2 HIS 17 5.565 10.966 7.918
141 H LEU 18 H LEU 18 0.505 8.831 3.214
142 HA LEU 18 HA LEU 18 -0.781 6.358 3.494
143 1HB LEU 18 1HB LEU 18 -1.847 8.485 2.761
144 2HB LEU 18 2HB LEU 18 -1.076 8.306 1.210
145 HG LEU 18 HG LEU 18 -2.839 6.121 2.235
146 1HD1 LEU 18 1HD1 LEU 18 -3.745 8.739 1.985
147 2HD1 LEU 18 2HD1 LEU 18 -4.720 7.271 2.083
148 3HD1 LEU 18 3HD1 LEU 18 -4.259 7.921 0.511
149 1HD2 LEU 18 1HD2 LEU 18 -1.927 5.395 0.296
150 2HD2 LEU 18 2HD2 LEU 18 -1.733 7.026 -0.356
151 3HD2 LEU 18 3HD2 LEU 18 -3.320 6.256 -0.361
152 H THR 19 H THR 19 1.334 7.620 0.948
153 HA THR 19 HA THR 19 1.117 5.440 -0.785
154 HB THR 19 HB THR 19 3.399 7.390 -0.400
155 HG1 THR 19 HG1 THR 19 1.877 8.616 -1.202
156 1HG2 THR 19 1HG2 THR 19 2.900 5.428 -2.618
157 2HG2 THR 19 2HG2 THR 19 4.345 5.607 -1.622
158 3HG2 THR 19 3HG2 THR 19 3.923 6.853 -2.795
159 H LEU 20 H LEU 20 3.114 5.997 2.060
160 HA LEU 20 HA LEU 20 4.902 3.825 1.692
161 1HB LEU 20 1HB LEU 20 5.135 5.771 3.311
162 2HB LEU 20 2HB LEU 20 3.984 4.943 4.339
163 HG LEU 20 HG LEU 20 5.637 2.960 4.245
164 1HD1 LEU 20 1HD1 LEU 20 7.021 3.794 2.430
165 2HD1 LEU 20 2HD1 LEU 20 7.973 3.616 3.904
166 3HD1 LEU 20 3HD1 LEU 20 7.442 5.216 3.385
167 1HD2 LEU 20 1HD2 LEU 20 6.911 3.877 6.116
168 2HD2 LEU 20 2HD2 LEU 20 5.203 4.296 6.241
169 3HD2 LEU 20 3HD2 LEU 20 6.369 5.502 5.694
170 H HIS 21 H HIS 21 1.709 4.141 3.106
171 HA HIS 21 HA HIS 21 1.503 1.652 4.369
172 1HB HIS 21 1HB HIS 21 -0.500 2.486 4.929
173 2HB HIS 21 2HB HIS 21 -0.108 3.910 4.006
174 HD1 HIS 21 HD1 HIS 21 -2.205 4.500 2.784
175 HD2 HIS 21 HD2 HIS 21 -1.413 0.448 2.606
176 HE1 HIS 21 HE1 HIS 21 -4.009 3.470 1.360
177 H ILE 22 H ILE 22 0.484 2.717 1.163
178 HA ILE 22 HA ILE 22 -0.754 0.425 0.297
179 HB ILE 22 HB ILE 22 0.829 2.165 -1.587
180 1HG1 ILE 22 1HG1 ILE 22 -2.017 2.758 -0.975
181 2HG1 ILE 22 2HG1 ILE 22 -0.848 3.254 0.225
182 1HG2 ILE 22 1HG2 ILE 22 -0.440 -0.007 -2.269
183 2HG2 ILE 22 2HG2 ILE 22 -0.661 1.457 -3.225
184 3HG2 ILE 22 3HG2 ILE 22 -1.884 0.983 -2.041
185 1HD1 ILE 22 1HD1 ILE 22 -1.419 4.336 -2.418
186 2HD1 ILE 22 2HD1 ILE 22 0.296 4.174 -2.045
187 3HD1 ILE 22 3HD1 ILE 22 -0.752 5.114 -0.985
188 H LEU 23 H LEU 23 2.615 0.782 0.850
189 HA LEU 23 HA LEU 23 3.634 -1.099 -0.968
190 1HB LEU 23 1HB LEU 23 5.247 0.180 0.097
191 2HB LEU 23 2HB LEU 23 4.523 -0.055 1.668
192 HG LEU 23 HG LEU 23 5.288 -2.468 1.540
193 1HD1 LEU 23 1HD1 LEU 23 6.820 -1.357 -0.803
194 2HD1 LEU 23 2HD1 LEU 23 5.656 -2.683 -0.817
195 3HD1 LEU 23 3HD1 LEU 23 7.201 -2.876 0.009
196 1HD2 LEU 23 1HD2 LEU 23 7.624 -1.893 2.130
197 2HD2 LEU 23 2HD2 LEU 23 6.429 -0.884 2.946
198 3HD2 LEU 23 3HD2 LEU 23 7.326 -0.249 1.567
199 H LEU 24 H LEU 24 1.791 -1.439 1.962
200 HA LEU 24 HA LEU 24 2.390 -4.065 2.716
201 1HB LEU 24 1HB LEU 24 -0.341 -2.790 2.881
202 2HB LEU 24 2HB LEU 24 0.286 -4.080 3.885
203 HG LEU 24 HG LEU 24 1.774 -1.520 3.979
204 1HD1 LEU 24 1HD1 LEU 24 0.218 -0.339 5.271
205 2HD1 LEU 24 2HD1 LEU 24 -0.808 -1.755 5.496
206 3HD1 LEU 24 3HD1 LEU 24 -0.732 -0.963 3.921
207 1HD2 LEU 24 1HD2 LEU 24 0.819 -3.463 6.078
208 2HD2 LEU 24 2HD2 LEU 24 1.900 -2.096 6.347
209 3HD2 LEU 24 3HD2 LEU 24 2.418 -3.444 5.336
210 H HIS 25 H HIS 25 0.052 -2.805 0.368
211 HA HIS 25 HA HIS 25 -1.318 -5.133 -0.258
212 1HB HIS 25 1HB HIS 25 -0.590 -2.787 -2.020
213 2HB HIS 25 2HB HIS 25 -1.712 -4.055 -2.499
214 HD1 HIS 25 HD1 HIS 25 -3.770 -4.337 -0.555
215 HD2 HIS 25 HD2 HIS 25 -1.847 -0.677 -0.957
216 HE1 HIS 25 HE1 HIS 25 -5.302 -2.607 0.476
217 H GLU 26 H GLU 26 1.854 -4.060 -1.356
218 HA GLU 26 HA GLU 26 2.165 -5.948 -3.442
219 1HB GLU 26 1HB GLU 26 4.213 -4.461 -1.790
220 2HB GLU 26 2HB GLU 26 4.614 -5.453 -3.185
221 1HG GLU 26 1HG GLU 26 3.447 -4.004 -4.658
222 2HG GLU 26 2HG GLU 26 2.726 -3.118 -3.315
223 H ASN 27 H ASN 27 3.432 -5.931 -0.098
224 HA ASN 27 HA ASN 27 3.363 -8.862 -0.126
225 1HB ASN 27 1HB ASN 27 5.716 -7.758 -0.585
226 2HB ASN 27 2HB ASN 27 5.707 -7.520 1.160
227 1HD2 ASN 27 1HD2 ASN 27 5.625 -9.359 2.524
228 2HD2 ASN 27 2HD2 ASN 27 6.135 -10.907 1.954
229 H LYS 28 H LYS 28 2.743 -9.784 1.767
230 HA LYS 28 HA LYS 28 1.645 -8.054 3.790
231 1HB LYS 28 1HB LYS 28 1.743 -11.056 3.492
232 2HB LYS 28 2HB LYS 28 1.006 -10.258 4.873
233 1HG LYS 28 1HG LYS 28 -0.879 -10.284 3.698
234 2HG LYS 28 2HG LYS 28 -0.166 -8.993 2.729
235 1HD LYS 28 1HD LYS 28 -0.678 -10.459 1.058
236 2HD LYS 28 2HD LYS 28 0.929 -11.057 1.470
237 1HE LYS 28 1HE LYS 28 -0.263 -13.017 1.470
238 2HE LYS 28 2HE LYS 28 -0.402 -12.553 3.165
239 1HZ LYS 28 1HZ LYS 28 -2.576 -11.627 2.710
240 2HZ LYS 28 2HZ LYS 28 -2.528 -13.248 2.229
241 3HZ LYS 28 3HZ LYS 28 -2.440 -12.021 1.070
242 H LYS 29 H LYS 29 2.293 -7.805 5.897
243 HA LYS 29 HA LYS 29 4.630 -9.244 6.868
244 1HB LYS 29 1HB LYS 29 5.677 -7.037 7.590
245 2HB LYS 29 2HB LYS 29 5.783 -7.441 5.883
246 1HG LYS 29 1HG LYS 29 3.423 -5.859 6.585
247 2HG LYS 29 2HG LYS 29 4.960 -5.048 6.890
248 1HD LYS 29 1HD LYS 29 4.467 -6.436 4.283
249 2HD LYS 29 2HD LYS 29 3.837 -4.812 4.563
250 1HE LYS 29 1HE LYS 29 6.302 -4.340 5.342
251 2HE LYS 29 2HE LYS 29 6.660 -5.750 4.345
252 1HZ LYS 29 1HZ LYS 29 6.883 -3.789 3.025
253 2HZ LYS 29 2HZ LYS 29 5.345 -3.239 3.463
254 3HZ LYS 29 3HZ LYS 29 5.504 -4.616 2.496
Start of MODEL 15
1 H TYR 1 H TYR 1 -7.182 14.173 6.862
2 HA TYR 1 HA TYR 1 -7.082 11.848 5.891
3 1HB TYR 1 1HB TYR 1 -10.068 12.354 5.834
4 2HB TYR 1 2HB TYR 1 -9.221 10.961 5.173
5 HD1 TYR 1 HD1 TYR 1 -11.414 11.634 7.565
6 HD2 TYR 1 HD2 TYR 1 -7.447 10.118 7.295
7 HE1 TYR 1 HE1 TYR 1 -11.729 10.446 9.693
8 HE2 TYR 1 HE2 TYR 1 -7.752 8.925 9.423
9 HH TYR 1 HH TYR 1 -10.347 8.096 10.711
10 H LYS 2 H LYS 2 -5.937 13.027 4.404
11 HA LYS 2 HA LYS 2 -7.357 14.949 2.725
12 1HB LYS 2 1HB LYS 2 -5.105 15.460 3.756
13 2HB LYS 2 2HB LYS 2 -4.415 14.271 2.660
14 1HG LYS 2 1HG LYS 2 -4.079 16.406 1.691
15 2HG LYS 2 2HG LYS 2 -5.349 15.609 0.760
16 1HD LYS 2 1HD LYS 2 -6.369 17.173 3.006
17 2HD LYS 2 2HD LYS 2 -5.480 18.142 1.828
18 1HE LYS 2 1HE LYS 2 -6.910 17.462 0.060
19 2HE LYS 2 2HE LYS 2 -7.651 16.208 1.053
20 1HZ LYS 2 1HZ LYS 2 -7.898 19.134 1.503
21 2HZ LYS 2 2HZ LYS 2 -8.618 17.927 2.445
22 3HZ LYS 2 3HZ LYS 2 -9.089 18.135 0.834
23 H PHE 3 H PHE 3 -5.028 12.288 2.137
24 HA PHE 3 HA PHE 3 -6.084 11.973 -0.555
25 1HB PHE 3 1HB PHE 3 -3.632 11.117 0.899
26 2HB PHE 3 2HB PHE 3 -4.174 10.120 -0.435
27 HD1 PHE 3 HD1 PHE 3 -4.540 11.258 -2.697
28 HD2 PHE 3 HD2 PHE 3 -2.400 13.046 0.519
29 HE1 PHE 3 HE1 PHE 3 -3.454 12.799 -4.279
30 HE2 PHE 3 HE2 PHE 3 -1.312 14.589 -1.057
31 HZ PHE 3 HZ PHE 3 -1.838 14.467 -3.460
32 H ALA 4 H ALA 4 -6.087 9.562 -1.307
33 HA ALA 4 HA ALA 4 -7.168 7.708 0.646
34 1HB ALA 4 1HB ALA 4 -9.168 7.329 -0.979
35 2HB ALA 4 2HB ALA 4 -8.832 8.984 -1.485
36 3HB ALA 4 3HB ALA 4 -9.234 8.641 0.197
37 H CYS 5 H CYS 5 -6.928 5.570 0.031
38 HA CYS 5 HA CYS 5 -5.103 5.061 -2.112
39 1HB CYS 5 1HB CYS 5 -5.367 3.808 0.162
40 2HB CYS 5 2HB CYS 5 -6.595 2.886 -0.688
41 HG CYS 5 HG CYS 5 -4.741 1.495 -1.451
42 HA PRO 6 HA PRO 6 -8.110 4.246 -5.281
43 1HB PRO 6 1HB PRO 6 -6.486 3.138 -7.121
44 2HB PRO 6 2HB PRO 6 -6.418 4.860 -6.727
45 1HG PRO 6 1HG PRO 6 -4.645 2.633 -5.801
46 2HG PRO 6 2HG PRO 6 -4.206 4.269 -6.324
47 1HD PRO 6 1HD PRO 6 -4.401 3.515 -3.703
48 2HD PRO 6 2HD PRO 6 -4.658 5.178 -4.271
49 H GLU 7 H GLU 7 -6.211 1.767 -3.740
50 HA GLU 7 HA GLU 7 -7.807 -0.368 -4.952
51 1HB GLU 7 1HB GLU 7 -5.164 -0.302 -4.547
52 2HB GLU 7 2HB GLU 7 -5.650 -0.963 -2.992
53 1HG GLU 7 1HG GLU 7 -7.069 -2.562 -4.595
54 2HG GLU 7 2HG GLU 7 -5.740 -2.170 -5.685
55 H CYS 8 H CYS 8 -6.812 0.810 -1.725
56 HA CYS 8 HA CYS 8 -9.118 -0.630 -0.581
57 1HB CYS 8 1HB CYS 8 -7.948 -0.754 1.492
58 2HB CYS 8 2HB CYS 8 -6.834 -1.264 0.239
59 HG CYS 8 HG CYS 8 -6.525 1.665 1.048
60 HA PRO 9 HA PRO 9 -10.761 3.214 0.837
61 1HB PRO 9 1HB PRO 9 -12.116 2.492 3.025
62 2HB PRO 9 2HB PRO 9 -12.525 1.844 1.433
63 1HG PRO 9 1HG PRO 9 -11.090 0.552 3.694
64 2HG PRO 9 2HG PRO 9 -12.166 -0.167 2.485
65 1HD PRO 9 1HD PRO 9 -9.338 -0.176 2.459
66 2HD PRO 9 2HD PRO 9 -10.409 -0.675 1.140
67 H LYS 10 H LYS 10 -7.991 3.086 1.648
68 HA LYS 10 HA LYS 10 -7.966 3.983 4.418
69 1HB LYS 10 1HB LYS 10 -5.718 3.574 2.438
70 2HB LYS 10 2HB LYS 10 -5.491 4.158 4.062
71 1HG LYS 10 1HG LYS 10 -6.918 1.582 3.646
72 2HG LYS 10 2HG LYS 10 -5.159 1.640 3.515
73 1HD LYS 10 1HD LYS 10 -4.967 2.494 5.756
74 2HD LYS 10 2HD LYS 10 -6.720 2.645 5.893
75 1HE LYS 10 1HE LYS 10 -5.437 -0.003 5.322
76 2HE LYS 10 2HE LYS 10 -5.557 0.607 6.970
77 1HZ LYS 10 1HZ LYS 10 -7.423 -0.813 6.445
78 2HZ LYS 10 2HZ LYS 10 -7.832 0.148 5.113
79 3HZ LYS 10 3HZ LYS 10 -7.962 0.773 6.680
80 H ARG 11 H ARG 11 -6.838 5.995 4.974
81 HA ARG 11 HA ARG 11 -6.776 8.073 2.944
82 1HB ARG 11 1HB ARG 11 -8.226 9.575 4.383
83 2HB ARG 11 2HB ARG 11 -9.063 8.287 3.531
84 1HG ARG 11 1HG ARG 11 -8.160 7.809 6.329
85 2HG ARG 11 2HG ARG 11 -9.583 8.810 6.041
86 1HD ARG 11 1HD ARG 11 -10.255 6.800 4.472
87 2HD ARG 11 2HD ARG 11 -9.159 5.910 5.529
88 HE ARG 11 HE ARG 11 -11.226 7.511 6.814
89 1HH1 ARG 11 1HH1 ARG 11 -10.166 4.334 5.782
90 2HH1 ARG 11 2HH1 ARG 11 -11.254 3.497 6.835
91 1HH2 ARG 11 1HH2 ARG 11 -12.658 6.400 8.192
92 2HH2 ARG 11 2HH2 ARG 11 -12.670 4.670 8.202
93 H PHE 12 H PHE 12 -5.149 9.471 3.318
94 HA PHE 12 HA PHE 12 -4.126 9.738 6.060
95 1HB PHE 12 1HB PHE 12 -2.304 9.391 3.712
96 2HB PHE 12 2HB PHE 12 -1.870 9.365 5.406
97 HD1 PHE 12 HD1 PHE 12 -4.147 7.553 3.071
98 HD2 PHE 12 HD2 PHE 12 -1.409 7.298 6.317
99 HE1 PHE 12 HE1 PHE 12 -4.365 5.118 3.050
100 HE2 PHE 12 HE2 PHE 12 -1.627 4.844 6.302
101 HZ PHE 12 HZ PHE 12 -3.108 3.753 4.654
102 H MET 13 H MET 13 -3.168 11.687 6.574
103 HA MET 13 HA MET 13 -3.937 13.927 4.956
104 1HB MET 13 1HB MET 13 -2.463 13.652 7.567
105 2HB MET 13 2HB MET 13 -2.649 15.211 6.776
106 1HG MET 13 1HG MET 13 -5.168 14.623 6.753
107 2HG MET 13 2HG MET 13 -4.731 13.452 7.996
108 1HE MET 13 1HE MET 13 -6.089 17.461 8.887
109 2HE MET 13 2HE MET 13 -6.843 15.936 8.423
110 3HE MET 13 3HE MET 13 -5.907 16.853 7.242
111 H ARG 14 H ARG 14 -1.042 12.047 5.360
112 HA ARG 14 HA ARG 14 0.575 14.047 3.953
113 1HB ARG 14 1HB ARG 14 1.335 11.486 5.369
114 2HB ARG 14 2HB ARG 14 2.476 12.506 4.506
115 1HG ARG 14 1HG ARG 14 2.807 13.408 6.531
116 2HG ARG 14 2HG ARG 14 1.352 14.328 6.146
117 1HD ARG 14 1HD ARG 14 0.306 13.426 7.883
118 2HD ARG 14 2HD ARG 14 0.556 11.813 7.209
119 HE ARG 14 HE ARG 14 2.917 12.662 8.479
120 1HH1 ARG 14 1HH1 ARG 14 -0.341 11.656 9.273
121 2HH1 ARG 14 2HH1 ARG 14 0.097 11.039 10.829
122 1HH2 ARG 14 1HH2 ARG 14 3.489 11.848 10.528
123 2HH2 ARG 14 2HH2 ARG 14 2.273 11.148 11.543
124 H SER 15 H SER 15 1.930 13.358 2.158
125 HA SER 15 HA SER 15 0.488 11.534 0.401
126 1HB SER 15 1HB SER 15 0.901 13.227 -0.969
127 2HB SER 15 2HB SER 15 2.199 13.871 0.031
128 HG SER 15 HG SER 15 3.432 13.138 -1.512
129 H ASP 16 H ASP 16 3.779 12.012 1.666
130 HA ASP 16 HA ASP 16 4.881 9.712 0.419
131 1HB ASP 16 1HB ASP 16 6.089 11.776 1.423
132 2HB ASP 16 2HB ASP 16 5.983 10.890 2.938
133 H HIS 17 H HIS 17 3.777 10.322 3.754
134 HA HIS 17 HA HIS 17 4.302 7.769 4.781
135 1HB HIS 17 1HB HIS 17 2.398 9.957 5.546
136 2HB HIS 17 2HB HIS 17 2.308 8.398 6.351
137 HD1 HIS 17 HD1 HIS 17 2.955 9.859 8.500
138 HD2 HIS 17 HD2 HIS 17 5.918 9.425 5.621
139 HE1 HIS 17 HE1 HIS 17 5.095 10.504 9.639
140 HE2 HIS 17 HE2 HIS 17 6.891 10.139 7.910
141 H LEU 18 H LEU 18 1.406 9.071 3.188
142 HA LEU 18 HA LEU 18 -0.290 6.885 3.497
143 1HB LEU 18 1HB LEU 18 -0.927 9.104 2.619
144 2HB LEU 18 2HB LEU 18 -0.089 8.742 1.132
145 HG LEU 18 HG LEU 18 -2.278 6.943 2.071
146 1HD1 LEU 18 1HD1 LEU 18 -3.808 8.353 0.651
147 2HD1 LEU 18 2HD1 LEU 18 -2.568 9.605 0.728
148 3HD1 LEU 18 3HD1 LEU 18 -3.343 9.043 2.206
149 1HD2 LEU 18 1HD2 LEU 18 -1.641 5.937 0.198
150 2HD2 LEU 18 2HD2 LEU 18 -0.684 7.327 -0.322
151 3HD2 LEU 18 3HD2 LEU 18 -2.418 7.279 -0.650
152 H THR 19 H THR 19 2.027 7.623 0.901
153 HA THR 19 HA THR 19 1.486 5.352 -0.638
154 HB THR 19 HB THR 19 4.102 6.867 -0.454
155 HG1 THR 19 HG1 THR 19 2.860 8.412 -1.172
156 1HG2 THR 19 1HG2 THR 19 4.301 6.224 -2.861
157 2HG2 THR 19 2HG2 THR 19 2.979 5.088 -2.595
158 3HG2 THR 19 3HG2 THR 19 4.493 4.903 -1.711
159 H LEU 20 H LEU 20 3.561 5.874 2.150
160 HA LEU 20 HA LEU 20 5.117 3.544 2.014
161 1HB LEU 20 1HB LEU 20 5.312 5.557 3.609
162 2HB LEU 20 2HB LEU 20 4.115 4.737 4.591
163 HG LEU 20 HG LEU 20 5.838 2.727 4.388
164 1HD1 LEU 20 1HD1 LEU 20 8.137 3.508 4.411
165 2HD1 LEU 20 2HD1 LEU 20 7.596 5.162 4.128
166 3HD1 LEU 20 3HD1 LEU 20 7.354 3.932 2.889
167 1HD2 LEU 20 1HD2 LEU 20 6.835 3.480 6.509
168 2HD2 LEU 20 2HD2 LEU 20 5.085 3.692 6.477
169 3HD2 LEU 20 3HD2 LEU 20 6.146 5.082 6.248
170 H HIS 21 H HIS 21 1.831 4.120 3.089
171 HA HIS 21 HA HIS 21 1.341 1.692 4.417
172 1HB HIS 21 1HB HIS 21 -0.634 2.699 4.750
173 2HB HIS 21 2HB HIS 21 -0.113 4.021 3.749
174 HD1 HIS 21 HD1 HIS 21 -2.061 4.576 2.287
175 HD2 HIS 21 HD2 HIS 21 -1.451 0.490 2.571
176 HE1 HIS 21 HE1 HIS 21 -3.813 3.481 0.841
177 H ILE 22 H ILE 22 0.813 2.705 1.090
178 HA ILE 22 HA ILE 22 -0.389 0.352 0.188
179 HB ILE 22 HB ILE 22 1.204 2.169 -1.604
180 1HG1 ILE 22 1HG1 ILE 22 -1.673 2.701 -1.126
181 2HG1 ILE 22 2HG1 ILE 22 -0.591 3.167 0.166
182 1HG2 ILE 22 1HG2 ILE 22 -1.438 1.195 -2.403
183 2HG2 ILE 22 2HG2 ILE 22 -0.249 -0.084 -2.153
184 3HG2 ILE 22 3HG2 ILE 22 0.082 1.213 -3.301
185 1HD1 ILE 22 1HD1 ILE 22 -0.419 5.071 -0.951
186 2HD1 ILE 22 2HD1 ILE 22 -1.034 4.361 -2.445
187 3HD1 ILE 22 3HD1 ILE 22 0.669 4.181 -2.016
188 H LEU 23 H LEU 23 2.738 0.551 1.277
189 HA LEU 23 HA LEU 23 4.049 -1.082 -0.664
190 1HB LEU 23 1HB LEU 23 4.710 0.153 1.885
191 2HB LEU 23 2HB LEU 23 5.358 -1.471 1.766
192 HG LEU 23 HG LEU 23 5.810 0.326 -0.553
193 1HD1 LEU 23 1HD1 LEU 23 7.761 1.348 0.533
194 2HD1 LEU 23 2HD1 LEU 23 7.273 0.627 2.066
195 3HD1 LEU 23 3HD1 LEU 23 6.247 1.836 1.293
196 1HD2 LEU 23 1HD2 LEU 23 6.589 -2.027 -0.457
197 2HD2 LEU 23 2HD2 LEU 23 7.611 -1.597 0.915
198 3HD2 LEU 23 3HD2 LEU 23 7.899 -0.863 -0.663
199 H LEU 24 H LEU 24 2.131 -1.673 2.237
200 HA LEU 24 HA LEU 24 2.756 -4.469 2.371
201 1HB LEU 24 1HB LEU 24 0.570 -4.467 3.812
202 2HB LEU 24 2HB LEU 24 2.080 -3.841 4.433
203 HG LEU 24 HG LEU 24 1.259 -1.540 3.799
204 1HD1 LEU 24 1HD1 LEU 24 -1.341 -3.035 3.463
205 2HD1 LEU 24 2HD1 LEU 24 -0.474 -2.146 2.212
206 3HD1 LEU 24 3HD1 LEU 24 -1.187 -1.280 3.572
207 1HD2 LEU 24 1HD2 LEU 24 1.094 -2.883 6.057
208 2HD2 LEU 24 2HD2 LEU 24 -0.634 -2.703 5.754
209 3HD2 LEU 24 3HD2 LEU 24 0.393 -1.274 5.879
210 H HIS 25 H HIS 25 0.633 -2.621 0.420
211 HA HIS 25 HA HIS 25 -1.518 -4.314 0.014
212 1HB HIS 25 1HB HIS 25 -0.257 -2.128 -1.462
213 2HB HIS 25 2HB HIS 25 -1.055 -3.296 -2.509
214 HD1 HIS 25 HD1 HIS 25 -3.636 -3.921 -1.326
215 HD2 HIS 25 HD2 HIS 25 -1.949 -0.155 -0.849
216 HE1 HIS 25 HE1 HIS 25 -5.537 -2.357 -0.753
217 H GLU 26 H GLU 26 1.736 -4.496 -1.357
218 HA GLU 26 HA GLU 26 1.234 -6.473 -3.294
219 1HB GLU 26 1HB GLU 26 3.320 -5.078 -3.098
220 2HB GLU 26 2HB GLU 26 3.805 -6.097 -1.749
221 1HG GLU 26 1HG GLU 26 4.942 -6.880 -3.669
222 2HG GLU 26 2HG GLU 26 3.685 -8.058 -3.294
223 H ASN 27 H ASN 27 2.301 -6.750 0.092
224 HA ASN 27 HA ASN 27 1.089 -9.377 0.272
225 1HB ASN 27 1HB ASN 27 3.882 -9.123 -0.209
226 2HB ASN 27 2HB ASN 27 3.681 -9.653 1.458
227 1HD2 ASN 27 1HD2 ASN 27 2.970 -10.408 -1.891
228 2HD2 ASN 27 2HD2 ASN 27 2.692 -12.096 -1.646
229 H LYS 28 H LYS 28 -0.294 -8.505 1.798
230 HA LYS 28 HA LYS 28 0.867 -7.311 4.203
231 1HB LYS 28 1HB LYS 28 -1.152 -6.345 2.916
232 2HB LYS 28 2HB LYS 28 -2.075 -7.638 3.668
233 1HG LYS 28 1HG LYS 28 -1.338 -6.793 5.887
234 2HG LYS 28 2HG LYS 28 -0.578 -5.430 5.063
235 1HD LYS 28 1HD LYS 28 -2.610 -4.514 4.431
236 2HD LYS 28 2HD LYS 28 -3.462 -6.053 4.572
237 1HE LYS 28 1HE LYS 28 -3.649 -5.893 6.867
238 2HE LYS 28 2HE LYS 28 -2.266 -4.809 7.007
239 1HZ LYS 28 1HZ LYS 28 -4.907 -4.075 5.860
240 2HZ LYS 28 2HZ LYS 28 -3.584 -3.037 6.052
241 3HZ LYS 28 3HZ LYS 28 -4.367 -3.669 7.411
242 H LYS 29 H LYS 29 0.437 -8.087 6.292
243 HA LYS 29 HA LYS 29 0.293 -10.943 6.488
244 1HB LYS 29 1HB LYS 29 1.703 -9.420 7.944
245 2HB LYS 29 2HB LYS 29 0.219 -8.967 8.768
246 1HG LYS 29 1HG LYS 29 -0.023 -11.585 9.025
247 2HG LYS 29 2HG LYS 29 1.731 -11.520 8.843
248 1HD LYS 29 1HD LYS 29 0.348 -9.696 10.772
249 2HD LYS 29 2HD LYS 29 0.677 -11.372 11.216
250 1HE LYS 29 1HE LYS 29 3.001 -11.078 11.033
251 2HE LYS 29 2HE LYS 29 2.823 -9.569 10.137
252 1HZ LYS 29 1HZ LYS 29 2.096 -9.965 12.991
253 2HZ LYS 29 2HZ LYS 29 1.973 -8.515 12.128
254 3HZ LYS 29 3HZ LYS 29 3.494 -9.190 12.434
Start of MODEL 16
1 H TYR 1 H TYR 1 -10.060 14.644 5.612
2 HA TYR 1 HA TYR 1 -8.341 12.347 4.988
3 1HB TYR 1 1HB TYR 1 -10.997 13.247 3.847
4 2HB TYR 1 2HB TYR 1 -10.200 11.700 3.589
5 HD1 TYR 1 HD1 TYR 1 -12.611 13.447 5.504
6 HD2 TYR 1 HD2 TYR 1 -9.821 10.244 5.719
7 HE1 TYR 1 HE1 TYR 1 -13.848 12.507 7.408
8 HE2 TYR 1 HE2 TYR 1 -11.049 9.293 7.624
9 HH TYR 1 HH TYR 1 -12.882 10.694 9.516
10 H LYS 2 H LYS 2 -6.619 13.091 3.863
11 HA LYS 2 HA LYS 2 -6.998 15.198 1.875
12 1HB LYS 2 1HB LYS 2 -4.633 14.013 3.260
13 2HB LYS 2 2HB LYS 2 -4.393 14.779 1.696
14 1HG LYS 2 1HG LYS 2 -5.939 16.302 3.704
15 2HG LYS 2 2HG LYS 2 -4.212 16.096 4.004
16 1HD LYS 2 1HD LYS 2 -3.609 17.273 2.104
17 2HD LYS 2 2HD LYS 2 -5.157 16.982 1.309
18 1HE LYS 2 1HE LYS 2 -5.176 18.563 3.820
19 2HE LYS 2 2HE LYS 2 -4.519 19.335 2.378
20 1HZ LYS 2 1HZ LYS 2 -6.577 18.928 1.227
21 2HZ LYS 2 2HZ LYS 2 -6.905 19.743 2.672
22 3HZ LYS 2 3HZ LYS 2 -7.207 18.084 2.551
23 H PHE 3 H PHE 3 -5.341 12.016 1.972
24 HA PHE 3 HA PHE 3 -5.907 11.748 -0.901
25 1HB PHE 3 1HB PHE 3 -3.611 11.016 0.807
26 2HB PHE 3 2HB PHE 3 -4.068 9.828 -0.398
27 HD1 PHE 3 HD1 PHE 3 -4.252 10.609 -2.825
28 HD2 PHE 3 HD2 PHE 3 -2.324 12.860 0.228
29 HE1 PHE 3 HE1 PHE 3 -3.031 11.883 -4.541
30 HE2 PHE 3 HE2 PHE 3 -1.099 14.138 -1.481
31 HZ PHE 3 HZ PHE 3 -1.453 13.650 -3.869
32 H ALA 4 H ALA 4 -5.904 9.295 -1.542
33 HA ALA 4 HA ALA 4 -7.222 7.572 0.384
34 1HB ALA 4 1HB ALA 4 -9.203 7.201 -0.988
35 2HB ALA 4 2HB ALA 4 -8.642 8.409 -2.142
36 3HB ALA 4 3HB ALA 4 -9.081 8.892 -0.503
37 H CYS 5 H CYS 5 -6.888 5.429 -0.031
38 HA CYS 5 HA CYS 5 -4.984 4.743 -2.059
39 1HB CYS 5 1HB CYS 5 -5.280 3.691 0.294
40 2HB CYS 5 2HB CYS 5 -6.537 2.725 -0.461
41 HG CYS 5 HG CYS 5 -4.829 1.321 -1.537
42 HA PRO 6 HA PRO 6 -7.878 3.688 -5.262
43 1HB PRO 6 1HB PRO 6 -6.218 2.312 -6.891
44 2HB PRO 6 2HB PRO 6 -6.127 4.068 -6.711
45 1HG PRO 6 1HG PRO 6 -4.447 1.945 -5.433
46 2HG PRO 6 2HG PRO 6 -3.946 3.486 -6.153
47 1HD PRO 6 1HD PRO 6 -4.232 3.124 -3.473
48 2HD PRO 6 2HD PRO 6 -4.496 4.688 -4.273
49 H GLU 7 H GLU 7 -6.169 1.332 -3.361
50 HA GLU 7 HA GLU 7 -7.802 -0.860 -4.420
51 1HB GLU 7 1HB GLU 7 -5.322 -1.140 -4.227
52 2HB GLU 7 2HB GLU 7 -5.486 -0.998 -2.483
53 1HG GLU 7 1HG GLU 7 -5.303 -3.317 -3.137
54 2HG GLU 7 2HG GLU 7 -6.892 -2.993 -2.447
55 H CYS 8 H CYS 8 -6.884 0.642 -1.315
56 HA CYS 8 HA CYS 8 -9.275 -0.593 -0.105
57 1HB CYS 8 1HB CYS 8 -8.151 -0.553 2.017
58 2HB CYS 8 2HB CYS 8 -7.077 -1.293 0.842
59 HG CYS 8 HG CYS 8 -6.619 1.686 1.519
60 HA PRO 9 HA PRO 9 -10.726 3.450 0.954
61 1HB PRO 9 1HB PRO 9 -12.254 2.950 3.081
62 2HB PRO 9 2HB PRO 9 -12.597 2.201 1.518
63 1HG PRO 9 1HG PRO 9 -11.358 1.022 3.954
64 2HG PRO 9 2HG PRO 9 -12.413 0.265 2.748
65 1HD PRO 9 1HD PRO 9 -9.591 0.108 2.868
66 2HD PRO 9 2HD PRO 9 -10.626 -0.434 1.536
67 H LYS 10 H LYS 10 -8.033 3.296 1.889
68 HA LYS 10 HA LYS 10 -8.125 4.338 4.616
69 1HB LYS 10 1HB LYS 10 -5.722 3.741 2.885
70 2HB LYS 10 2HB LYS 10 -5.683 4.213 4.555
71 1HG LYS 10 1HG LYS 10 -7.204 1.776 3.782
72 2HG LYS 10 2HG LYS 10 -5.445 1.711 3.907
73 1HD LYS 10 1HD LYS 10 -7.156 2.816 6.117
74 2HD LYS 10 2HD LYS 10 -6.806 1.093 5.985
75 1HE LYS 10 1HE LYS 10 -4.925 1.482 7.110
76 2HE LYS 10 2HE LYS 10 -4.335 2.337 5.686
77 1HZ LYS 10 1HZ LYS 10 -5.369 4.374 6.607
78 2HZ LYS 10 2HZ LYS 10 -4.126 3.758 7.573
79 3HZ LYS 10 3HZ LYS 10 -5.740 3.519 8.020
80 H ARG 11 H ARG 11 -7.181 6.333 5.164
81 HA ARG 11 HA ARG 11 -6.739 8.243 2.990
82 1HB ARG 11 1HB ARG 11 -8.479 8.821 5.384
83 2HB ARG 11 2HB ARG 11 -8.123 9.911 4.062
84 1HG ARG 11 1HG ARG 11 -10.053 9.225 3.191
85 2HG ARG 11 2HG ARG 11 -9.186 7.750 2.760
86 1HD ARG 11 1HD ARG 11 -9.821 6.940 5.119
87 2HD ARG 11 2HD ARG 11 -10.988 8.261 5.103
88 HE ARG 11 HE ARG 11 -11.172 6.596 2.782
89 1HH1 ARG 11 1HH1 ARG 11 -12.142 6.883 6.134
90 2HH1 ARG 11 2HH1 ARG 11 -13.548 5.891 5.941
91 1HH2 ARG 11 1HH2 ARG 11 -13.024 5.286 2.535
92 2HH2 ARG 11 2HH2 ARG 11 -14.048 4.984 3.899
93 H PHE 12 H PHE 12 -5.135 9.685 3.372
94 HA PHE 12 HA PHE 12 -4.068 9.915 6.094
95 1HB PHE 12 1HB PHE 12 -2.310 9.424 3.717
96 2HB PHE 12 2HB PHE 12 -1.805 9.525 5.388
97 HD1 PHE 12 HD1 PHE 12 -4.253 7.567 3.356
98 HD2 PHE 12 HD2 PHE 12 -1.261 7.520 6.380
99 HE1 PHE 12 HE1 PHE 12 -4.485 5.141 3.533
100 HE2 PHE 12 HE2 PHE 12 -1.493 5.073 6.564
101 HZ PHE 12 HZ PHE 12 -3.107 3.883 5.124
102 H MET 13 H MET 13 -3.048 11.835 6.574
103 HA MET 13 HA MET 13 -3.764 14.080 4.941
104 1HB MET 13 1HB MET 13 -1.989 14.028 7.389
105 2HB MET 13 2HB MET 13 -2.768 15.440 6.689
106 1HG MET 13 1HG MET 13 -4.040 13.140 8.135
107 2HG MET 13 2HG MET 13 -4.038 14.846 8.576
108 1HE MET 13 1HE MET 13 -5.578 12.049 7.379
109 2HE MET 13 2HE MET 13 -6.305 12.358 5.803
110 3HE MET 13 3HE MET 13 -7.232 12.652 7.275
111 H ARG 14 H ARG 14 -0.912 12.131 5.380
112 HA ARG 14 HA ARG 14 0.730 14.029 3.866
113 1HB ARG 14 1HB ARG 14 1.433 11.535 5.419
114 2HB ARG 14 2HB ARG 14 2.596 12.444 4.464
115 1HG ARG 14 1HG ARG 14 2.469 14.310 5.884
116 2HG ARG 14 2HG ARG 14 0.994 13.724 6.655
117 1HD ARG 14 1HD ARG 14 2.589 13.224 8.245
118 2HD ARG 14 2HD ARG 14 2.477 11.706 7.353
119 HE ARG 14 HE ARG 14 4.604 12.050 6.523
120 1HH1 ARG 14 1HH1 ARG 14 3.536 14.921 8.223
121 2HH1 ARG 14 2HH1 ARG 14 5.111 15.635 8.254
122 1HH2 ARG 14 1HH2 ARG 14 6.675 13.000 6.566
123 2HH2 ARG 14 2HH2 ARG 14 6.893 14.547 7.314
124 H SER 15 H SER 15 2.044 13.229 2.087
125 HA SER 15 HA SER 15 0.545 11.345 0.441
126 1HB SER 15 1HB SER 15 1.120 12.616 -1.265
127 2HB SER 15 2HB SER 15 1.827 13.749 -0.118
128 HG SER 15 HG SER 15 3.791 13.038 -0.601
129 H ASP 16 H ASP 16 3.842 11.815 1.682
130 HA ASP 16 HA ASP 16 4.912 9.463 0.498
131 1HB ASP 16 1HB ASP 16 6.061 11.606 1.602
132 2HB ASP 16 2HB ASP 16 6.114 10.530 2.992
133 H HIS 17 H HIS 17 3.799 10.194 3.803
134 HA HIS 17 HA HIS 17 4.294 7.665 4.908
135 1HB HIS 17 1HB HIS 17 2.504 9.949 5.617
136 2HB HIS 17 2HB HIS 17 2.263 8.408 6.429
137 HD1 HIS 17 HD1 HIS 17 2.975 9.836 8.588
138 HD2 HIS 17 HD2 HIS 17 5.965 9.128 5.791
139 HE1 HIS 17 HE1 HIS 17 5.133 10.318 9.773
140 HE2 HIS 17 HE2 HIS 17 6.923 9.983 8.035
141 H LEU 18 H LEU 18 1.443 8.950 3.232
142 HA LEU 18 HA LEU 18 -0.288 6.792 3.637
143 1HB LEU 18 1HB LEU 18 -0.858 9.026 2.665
144 2HB LEU 18 2HB LEU 18 -0.115 8.513 1.170
145 HG LEU 18 HG LEU 18 -2.314 6.879 2.356
146 1HD1 LEU 18 1HD1 LEU 18 -3.454 8.874 2.382
147 2HD1 LEU 18 2HD1 LEU 18 -3.775 8.306 0.744
148 3HD1 LEU 18 3HD1 LEU 18 -2.538 9.532 1.029
149 1HD2 LEU 18 1HD2 LEU 18 -0.862 7.060 -0.161
150 2HD2 LEU 18 2HD2 LEU 18 -2.614 7.000 -0.358
151 3HD2 LEU 18 3HD2 LEU 18 -1.781 5.721 0.532
152 H THR 19 H THR 19 1.997 7.446 0.987
153 HA THR 19 HA THR 19 1.453 5.123 -0.470
154 HB THR 19 HB THR 19 4.063 6.655 -0.339
155 HG1 THR 19 HG1 THR 19 1.712 7.049 -1.860
156 1HG2 THR 19 1HG2 THR 19 4.290 5.917 -2.713
157 2HG2 THR 19 2HG2 THR 19 2.967 4.788 -2.422
158 3HG2 THR 19 3HG2 THR 19 4.470 4.637 -1.513
159 H LEU 20 H LEU 20 3.499 5.719 2.316
160 HA LEU 20 HA LEU 20 5.066 3.385 2.245
161 1HB LEU 20 1HB LEU 20 5.245 5.457 3.779
162 2HB LEU 20 2HB LEU 20 4.069 4.643 4.791
163 HG LEU 20 HG LEU 20 6.055 2.728 4.324
164 1HD1 LEU 20 1HD1 LEU 20 8.115 3.810 4.968
165 2HD1 LEU 20 2HD1 LEU 20 7.309 5.377 5.032
166 3HD1 LEU 20 3HD1 LEU 20 7.496 4.544 3.489
167 1HD2 LEU 20 1HD2 LEU 20 6.523 3.047 6.721
168 2HD2 LEU 20 2HD2 LEU 20 4.796 2.978 6.376
169 3HD2 LEU 20 3HD2 LEU 20 5.570 4.530 6.694
170 H HIS 21 H HIS 21 1.790 4.016 3.336
171 HA HIS 21 HA HIS 21 1.318 1.589 4.693
172 1HB HIS 21 1HB HIS 21 -0.632 2.622 5.126
173 2HB HIS 21 2HB HIS 21 -0.107 3.963 4.148
174 HD1 HIS 21 HD1 HIS 21 -2.069 4.622 2.742
175 HD2 HIS 21 HD2 HIS 21 -1.605 0.515 2.923
176 HE1 HIS 21 HE1 HIS 21 -3.915 3.620 1.336
177 H ILE 22 H ILE 22 0.531 2.661 1.433
178 HA ILE 22 HA ILE 22 -0.755 0.398 0.536
179 HB ILE 22 HB ILE 22 0.924 2.129 -1.267
180 1HG1 ILE 22 1HG1 ILE 22 -1.933 2.754 -0.767
181 2HG1 ILE 22 2HG1 ILE 22 -0.816 3.200 0.500
182 1HG2 ILE 22 1HG2 ILE 22 -1.779 1.104 -1.945
183 2HG2 ILE 22 2HG2 ILE 22 -0.441 -0.047 -1.953
184 3HG2 ILE 22 3HG2 ILE 22 -0.383 1.379 -2.988
185 1HD1 ILE 22 1HD1 ILE 22 -1.365 4.481 -1.991
186 2HD1 ILE 22 2HD1 ILE 22 0.349 4.087 -1.865
187 3HD1 ILE 22 3HD1 ILE 22 -0.431 5.053 -0.613
188 H LEU 23 H LEU 23 2.549 0.593 1.322
189 HA LEU 23 HA LEU 23 3.724 -1.138 -0.520
190 1HB LEU 23 1HB LEU 23 4.331 -0.161 2.157
191 2HB LEU 23 2HB LEU 23 4.875 -1.809 1.924
192 HG LEU 23 HG LEU 23 6.646 -0.198 1.427
193 1HD1 LEU 23 1HD1 LEU 23 6.501 -2.367 0.220
194 2HD1 LEU 23 2HD1 LEU 23 7.344 -1.103 -0.676
195 3HD1 LEU 23 3HD1 LEU 23 5.685 -1.528 -1.101
196 1HD2 LEU 23 1HD2 LEU 23 5.147 1.637 0.681
197 2HD2 LEU 23 2HD2 LEU 23 4.886 0.762 -0.827
198 3HD2 LEU 23 3HD2 LEU 23 6.499 1.342 -0.412
199 H LEU 24 H LEU 24 1.658 -1.779 2.280
200 HA LEU 24 HA LEU 24 2.031 -4.531 2.545
201 1HB LEU 24 1HB LEU 24 -0.392 -4.560 3.339
202 2HB LEU 24 2HB LEU 24 0.741 -3.558 4.222
203 HG LEU 24 HG LEU 24 -0.281 -1.775 2.411
204 1HD1 LEU 24 1HD1 LEU 24 -2.618 -3.426 3.329
205 2HD1 LEU 24 2HD1 LEU 24 -1.937 -3.513 1.704
206 3HD1 LEU 24 3HD1 LEU 24 -2.636 -2.002 2.286
207 1HD2 LEU 24 1HD2 LEU 24 -1.495 -2.334 5.103
208 2HD2 LEU 24 2HD2 LEU 24 -1.347 -0.782 4.278
209 3HD2 LEU 24 3HD2 LEU 24 0.092 -1.596 4.892
210 H HIS 25 H HIS 25 -0.070 -2.757 0.311
211 HA HIS 25 HA HIS 25 -1.458 -4.952 -0.748
212 1HB HIS 25 1HB HIS 25 -0.739 -2.300 -2.015
213 2HB HIS 25 2HB HIS 25 -1.851 -3.463 -2.729
214 HD1 HIS 25 HD1 HIS 25 -3.916 -4.108 -0.876
215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.423 -0.605
216 HE1 HIS 25 HE1 HIS 25 -5.467 -2.599 0.433
217 H GLU 26 H GLU 26 1.278 -3.195 -2.250
218 HA GLU 26 HA GLU 26 1.847 -5.564 -3.866
219 1HB GLU 26 1HB GLU 26 2.167 -2.706 -4.232
220 2HB GLU 26 2HB GLU 26 3.676 -3.550 -4.545
221 1HG GLU 26 1HG GLU 26 1.032 -4.217 -5.820
222 2HG GLU 26 2HG GLU 26 2.298 -3.238 -6.559
223 H ASN 27 H ASN 27 2.505 -6.555 -1.711
224 HA ASN 27 HA ASN 27 5.281 -5.864 -1.026
225 1HB ASN 27 1HB ASN 27 3.206 -6.107 0.671
226 2HB ASN 27 2HB ASN 27 3.761 -7.778 0.663
227 1HD2 ASN 27 1HD2 ASN 27 4.732 -4.453 1.269
228 2HD2 ASN 27 2HD2 ASN 27 6.026 -4.835 2.348
229 H LYS 28 H LYS 28 4.793 -7.289 -3.401
230 HA LYS 28 HA LYS 28 5.911 -9.931 -2.728
231 1HB LYS 28 1HB LYS 28 3.533 -9.858 -3.721
232 2HB LYS 28 2HB LYS 28 4.317 -9.392 -5.224
233 1HG LYS 28 1HG LYS 28 4.062 -11.691 -5.416
234 2HG LYS 28 2HG LYS 28 5.742 -11.500 -4.912
235 1HD LYS 28 1HD LYS 28 5.191 -12.069 -2.647
236 2HD LYS 28 2HD LYS 28 3.465 -12.053 -3.011
237 1HE LYS 28 1HE LYS 28 5.219 -13.877 -4.576
238 2HE LYS 28 2HE LYS 28 4.850 -14.306 -2.906
239 1HZ LYS 28 1HZ LYS 28 2.842 -13.750 -5.024
240 2HZ LYS 28 2HZ LYS 28 2.496 -14.182 -3.426
241 3HZ LYS 28 3HZ LYS 28 3.269 -15.284 -4.450
242 H LYS 29 H LYS 29 5.673 -7.528 -5.358
243 HA LYS 29 HA LYS 29 8.515 -8.003 -5.941
244 1HB LYS 29 1HB LYS 29 7.958 -7.666 -8.377
245 2HB LYS 29 2HB LYS 29 7.388 -9.174 -7.676
246 1HG LYS 29 1HG LYS 29 5.435 -7.012 -7.521
247 2HG LYS 29 2HG LYS 29 5.893 -7.440 -9.171
248 1HD LYS 29 1HD LYS 29 5.300 -9.744 -8.789
249 2HD LYS 29 2HD LYS 29 4.997 -9.423 -7.080
250 1HE LYS 29 1HE LYS 29 2.865 -9.433 -8.005
251 2HE LYS 29 2HE LYS 29 3.265 -7.718 -7.931
252 1HZ LYS 29 1HZ LYS 29 3.586 -9.413 -10.349
253 2HZ LYS 29 2HZ LYS 29 3.807 -7.738 -10.252
254 3HZ LYS 29 3HZ LYS 29 2.262 -8.398 -10.058
Start of MODEL 17
1 H TYR 1 H TYR 1 -5.970 12.823 5.955
2 HA TYR 1 HA TYR 1 -7.827 11.856 4.960
3 1HB TYR 1 1HB TYR 1 -9.262 14.362 5.876
4 2HB TYR 1 2HB TYR 1 -9.962 13.168 4.789
5 HD1 TYR 1 HD1 TYR 1 -10.271 10.795 5.653
6 HD2 TYR 1 HD2 TYR 1 -9.368 14.076 8.207
7 HE1 TYR 1 HE1 TYR 1 -11.080 9.508 7.585
8 HE2 TYR 1 HE2 TYR 1 -10.173 12.798 10.145
9 HH TYR 1 HH TYR 1 -10.399 9.865 10.451
10 H LYS 2 H LYS 2 -5.588 13.134 3.992
11 HA LYS 2 HA LYS 2 -6.493 15.045 1.976
12 1HB LYS 2 1HB LYS 2 -3.799 14.209 3.000
13 2HB LYS 2 2HB LYS 2 -3.943 15.045 1.460
14 1HG LYS 2 1HG LYS 2 -5.227 16.187 3.902
15 2HG LYS 2 2HG LYS 2 -3.497 16.396 3.626
16 1HD LYS 2 1HD LYS 2 -4.445 17.088 1.201
17 2HD LYS 2 2HD LYS 2 -5.807 17.576 2.212
18 1HE LYS 2 1HE LYS 2 -4.558 19.494 2.253
19 2HE LYS 2 2HE LYS 2 -3.916 18.670 3.673
20 1HZ LYS 2 1HZ LYS 2 -2.128 19.536 2.335
21 2HZ LYS 2 2HZ LYS 2 -2.690 18.716 0.966
22 3HZ LYS 2 3HZ LYS 2 -2.087 17.844 2.285
23 H PHE 3 H PHE 3 -4.432 12.115 2.012
24 HA PHE 3 HA PHE 3 -5.054 11.681 -0.806
25 1HB PHE 3 1HB PHE 3 -2.889 10.865 1.035
26 2HB PHE 3 2HB PHE 3 -3.363 9.668 -0.149
27 HD1 PHE 3 HD1 PHE 3 -1.852 9.600 -1.873
28 HD2 PHE 3 HD2 PHE 3 -2.999 13.377 -0.282
29 HE1 PHE 3 HE1 PHE 3 -0.476 10.730 -3.571
30 HE2 PHE 3 HE2 PHE 3 -1.628 14.514 -1.978
31 HZ PHE 3 HZ PHE 3 -0.363 13.188 -3.625
32 H ALA 4 H ALA 4 -5.380 9.359 -1.487
33 HA ALA 4 HA ALA 4 -6.765 7.674 0.438
34 1HB ALA 4 1HB ALA 4 -8.606 9.005 -0.253
35 2HB ALA 4 2HB ALA 4 -8.748 7.463 -1.099
36 3HB ALA 4 3HB ALA 4 -8.142 8.884 -1.950
37 H CYS 5 H CYS 5 -6.681 5.518 -0.074
38 HA CYS 5 HA CYS 5 -4.880 4.758 -2.194
39 1HB CYS 5 1HB CYS 5 -5.100 3.703 0.169
40 2HB CYS 5 2HB CYS 5 -6.443 2.811 -0.522
41 HG CYS 5 HG CYS 5 -4.035 1.567 -0.653
42 HA PRO 6 HA PRO 6 -8.074 3.871 -5.166
43 1HB PRO 6 1HB PRO 6 -6.575 2.625 -7.019
44 2HB PRO 6 2HB PRO 6 -6.442 4.362 -6.725
45 1HG PRO 6 1HG PRO 6 -4.680 2.141 -5.767
46 2HG PRO 6 2HG PRO 6 -4.228 3.733 -6.402
47 1HD PRO 6 1HD PRO 6 -4.310 3.125 -3.734
48 2HD PRO 6 2HD PRO 6 -4.544 4.761 -4.381
49 H GLU 7 H GLU 7 -6.218 1.475 -3.497
50 HA GLU 7 HA GLU 7 -7.833 -0.726 -4.552
51 1HB GLU 7 1HB GLU 7 -5.148 -0.539 -3.886
52 2HB GLU 7 2HB GLU 7 -5.846 -1.407 -2.526
53 1HG GLU 7 1HG GLU 7 -6.775 -3.066 -4.049
54 2HG GLU 7 2HG GLU 7 -6.096 -2.191 -5.421
55 H CYS 8 H CYS 8 -6.894 0.755 -1.446
56 HA CYS 8 HA CYS 8 -9.238 -0.544 -0.211
57 1HB CYS 8 1HB CYS 8 -8.063 -0.567 1.883
58 2HB CYS 8 2HB CYS 8 -7.020 -1.275 0.660
59 HG CYS 8 HG CYS 8 -5.361 0.489 1.044
60 HA PRO 9 HA PRO 9 -10.670 3.458 0.977
61 1HB PRO 9 1HB PRO 9 -12.112 2.922 3.159
62 2HB PRO 9 2HB PRO 9 -12.517 2.214 1.592
63 1HG PRO 9 1HG PRO 9 -11.201 0.968 3.949
64 2HG PRO 9 2HG PRO 9 -12.295 0.245 2.759
65 1HD PRO 9 1HD PRO 9 -9.474 0.076 2.787
66 2HD PRO 9 2HD PRO 9 -10.550 -0.424 1.472
67 H LYS 10 H LYS 10 -7.913 3.188 1.913
68 HA LYS 10 HA LYS 10 -7.963 4.253 4.621
69 1HB LYS 10 1HB LYS 10 -5.567 3.765 2.842
70 2HB LYS 10 2HB LYS 10 -5.539 4.138 4.541
71 1HG LYS 10 1HG LYS 10 -6.969 1.710 3.567
72 2HG LYS 10 2HG LYS 10 -5.222 1.700 3.806
73 1HD LYS 10 1HD LYS 10 -5.440 1.561 6.025
74 2HD LYS 10 2HD LYS 10 -6.622 2.870 6.062
75 1HE LYS 10 1HE LYS 10 -7.253 0.021 5.302
76 2HE LYS 10 2HE LYS 10 -7.483 0.692 6.914
77 1HZ LYS 10 1HZ LYS 10 -8.897 1.416 4.419
78 2HZ LYS 10 2HZ LYS 10 -8.927 2.416 5.782
79 3HZ LYS 10 3HZ LYS 10 -9.555 0.847 5.871
80 H ARG 11 H ARG 11 -6.978 6.255 5.172
81 HA ARG 11 HA ARG 11 -6.565 8.199 3.034
82 1HB ARG 11 1HB ARG 11 -8.047 9.805 4.511
83 2HB ARG 11 2HB ARG 11 -8.780 8.767 3.297
84 1HG ARG 11 1HG ARG 11 -8.527 7.614 6.000
85 2HG ARG 11 2HG ARG 11 -9.653 8.958 5.826
86 1HD ARG 11 1HD ARG 11 -9.652 6.456 4.141
87 2HD ARG 11 2HD ARG 11 -10.730 6.763 5.501
88 HE ARG 11 HE ARG 11 -10.908 7.878 2.845
89 1HH1 ARG 11 1HH1 ARG 11 -11.897 8.212 6.190
90 2HH1 ARG 11 2HH1 ARG 11 -13.282 9.176 5.809
91 1HH2 ARG 11 1HH2 ARG 11 -12.736 9.146 2.355
92 2HH2 ARG 11 2HH2 ARG 11 -13.760 9.705 3.635
93 H PHE 12 H PHE 12 -4.906 9.522 3.479
94 HA PHE 12 HA PHE 12 -4.098 9.850 6.290
95 1HB PHE 12 1HB PHE 12 -2.159 9.444 4.045
96 2HB PHE 12 2HB PHE 12 -1.794 9.485 5.752
97 HD1 PHE 12 HD1 PHE 12 -4.122 7.596 3.537
98 HD2 PHE 12 HD2 PHE 12 -1.223 7.429 6.641
99 HE1 PHE 12 HE1 PHE 12 -4.354 5.166 3.602
100 HE2 PHE 12 HE2 PHE 12 -1.454 4.976 6.715
101 HZ PHE 12 HZ PHE 12 -3.027 3.843 5.179
102 H MET 13 H MET 13 -3.208 11.803 6.860
103 HA MET 13 HA MET 13 -3.939 14.066 5.329
104 1HB MET 13 1HB MET 13 -2.511 13.581 7.880
105 2HB MET 13 2HB MET 13 -2.177 15.114 7.087
106 1HG MET 13 1HG MET 13 -4.558 15.635 7.069
107 2HG MET 13 2HG MET 13 -4.904 14.091 7.844
108 1HE MET 13 1HE MET 13 -6.208 16.359 9.584
109 2HE MET 13 2HE MET 13 -5.580 15.708 11.099
110 3HE MET 13 3HE MET 13 -6.048 14.616 9.796
111 H ARG 14 H ARG 14 -0.992 12.194 5.543
112 HA ARG 14 HA ARG 14 0.441 14.150 3.894
113 1HB ARG 14 1HB ARG 14 1.358 11.749 5.465
114 2HB ARG 14 2HB ARG 14 2.404 12.587 4.334
115 1HG ARG 14 1HG ARG 14 3.011 13.789 6.113
116 2HG ARG 14 2HG ARG 14 1.495 14.652 5.847
117 1HD ARG 14 1HD ARG 14 0.660 13.919 7.774
118 2HD ARG 14 2HD ARG 14 1.040 12.244 7.362
119 HE ARG 14 HE ARG 14 3.417 13.444 8.139
120 1HH1 ARG 14 1HH1 ARG 14 0.324 12.667 9.585
121 2HH1 ARG 14 2HH1 ARG 14 0.975 12.499 11.180
122 1HH2 ARG 14 1HH2 ARG 14 4.269 13.219 10.239
123 2HH2 ARG 14 2HH2 ARG 14 3.215 12.813 11.553
124 H SER 15 H SER 15 1.673 13.375 2.048
125 HA SER 15 HA SER 15 0.109 11.510 0.470
126 1HB SER 15 1HB SER 15 0.581 13.230 -0.893
127 2HB SER 15 2HB SER 15 2.105 13.618 -0.099
128 HG SER 15 HG SER 15 3.118 12.366 -1.467
129 H ASP 16 H ASP 16 3.486 11.875 1.526
130 HA ASP 16 HA ASP 16 4.401 9.446 0.397
131 1HB ASP 16 1HB ASP 16 5.607 11.611 1.586
132 2HB ASP 16 2HB ASP 16 5.834 10.347 2.790
133 H HIS 17 H HIS 17 3.064 10.276 3.557
134 HA HIS 17 HA HIS 17 3.662 7.881 4.896
135 1HB HIS 17 1HB HIS 17 1.703 10.084 5.277
136 2HB HIS 17 2HB HIS 17 1.390 8.573 6.116
137 HD1 HIS 17 HD1 HIS 17 1.780 10.026 8.311
138 HD2 HIS 17 HD2 HIS 17 5.122 9.447 5.911
139 HE1 HIS 17 HE1 HIS 17 3.750 10.624 9.743
140 HE2 HIS 17 HE2 HIS 17 5.757 10.351 8.249
141 H LEU 18 H LEU 18 0.645 8.845 3.209
142 HA LEU 18 HA LEU 18 -0.698 6.413 3.543
143 1HB LEU 18 1HB LEU 18 -1.765 8.482 2.771
144 2HB LEU 18 2HB LEU 18 -0.904 8.378 1.262
145 HG LEU 18 HG LEU 18 -2.742 6.172 2.128
146 1HD1 LEU 18 1HD1 LEU 18 -3.568 8.811 1.743
147 2HD1 LEU 18 2HD1 LEU 18 -4.576 7.363 1.805
148 3HD1 LEU 18 3HD1 LEU 18 -3.977 7.952 0.257
149 1HD2 LEU 18 1HD2 LEU 18 -1.681 5.404 0.291
150 2HD2 LEU 18 2HD2 LEU 18 -1.368 7.023 -0.345
151 3HD2 LEU 18 3HD2 LEU 18 -2.971 6.304 -0.510
152 H THR 19 H THR 19 1.434 7.554 0.948
153 HA THR 19 HA THR 19 1.190 5.314 -0.698
154 HB THR 19 HB THR 19 3.545 7.193 -0.389
155 HG1 THR 19 HG1 THR 19 2.083 8.488 -1.185
156 1HG2 THR 19 1HG2 THR 19 3.999 6.598 -2.777
157 2HG2 THR 19 2HG2 THR 19 2.887 5.244 -2.578
158 3HG2 THR 19 3HG2 THR 19 4.354 5.329 -1.604
159 H LEU 20 H LEU 20 3.173 5.923 2.141
160 HA LEU 20 HA LEU 20 4.939 3.725 1.859
161 1HB LEU 20 1HB LEU 20 5.151 5.716 3.439
162 2HB LEU 20 2HB LEU 20 3.994 4.899 4.472
163 HG LEU 20 HG LEU 20 5.645 2.924 4.442
164 1HD1 LEU 20 1HD1 LEU 20 7.478 5.134 3.524
165 2HD1 LEU 20 2HD1 LEU 20 7.027 3.706 2.593
166 3HD1 LEU 20 3HD1 LEU 20 7.978 3.533 4.067
167 1HD2 LEU 20 1HD2 LEU 20 5.217 4.351 6.388
168 2HD2 LEU 20 2HD2 LEU 20 6.426 5.496 5.808
169 3HD2 LEU 20 3HD2 LEU 20 6.912 3.870 6.288
170 H HIS 21 H HIS 21 1.732 4.109 3.244
171 HA HIS 21 HA HIS 21 1.472 1.651 4.548
172 1HB HIS 21 1HB HIS 21 -0.549 2.510 5.031
173 2HB HIS 21 2HB HIS 21 -0.120 3.909 4.087
174 HD1 HIS 21 HD1 HIS 21 -2.159 4.486 2.760
175 HD2 HIS 21 HD2 HIS 21 -1.417 0.419 2.753
176 HE1 HIS 21 HE1 HIS 21 -3.924 3.428 1.295
177 H ILE 22 H ILE 22 0.509 2.633 1.304
178 HA ILE 22 HA ILE 22 -0.700 0.332 0.452
179 HB ILE 22 HB ILE 22 0.951 2.034 -1.407
180 1HG1 ILE 22 1HG1 ILE 22 -1.925 2.607 -0.889
181 2HG1 ILE 22 2HG1 ILE 22 -0.779 3.168 0.305
182 1HG2 ILE 22 1HG2 ILE 22 -0.380 1.232 -3.098
183 2HG2 ILE 22 2HG2 ILE 22 -1.737 0.911 -2.016
184 3HG2 ILE 22 3HG2 ILE 22 -0.350 -0.179 -2.040
185 1HD1 ILE 22 1HD1 ILE 22 0.332 3.964 -2.075
186 2HD1 ILE 22 2HD1 ILE 22 -0.588 4.968 -0.957
187 3HD1 ILE 22 3HD1 ILE 22 -1.398 4.196 -2.317
188 H LEU 23 H LEU 23 2.646 0.660 1.121
189 HA LEU 23 HA LEU 23 3.818 -1.142 -0.636
190 1HB LEU 23 1HB LEU 23 4.375 -0.318 2.178
191 2HB LEU 23 2HB LEU 23 5.225 -1.712 1.541
192 HG LEU 23 HG LEU 23 5.246 0.864 0.013
193 1HD1 LEU 23 1HD1 LEU 23 6.745 0.229 2.519
194 2HD1 LEU 23 2HD1 LEU 23 5.992 1.741 2.014
195 3HD1 LEU 23 3HD1 LEU 23 7.495 1.213 1.261
196 1HD2 LEU 23 1HD2 LEU 23 7.384 0.011 -0.770
197 2HD2 LEU 23 2HD2 LEU 23 6.110 -1.181 -1.032
198 3HD2 LEU 23 3HD2 LEU 23 7.242 -1.380 0.306
199 H LEU 24 H LEU 24 1.776 -1.720 2.192
200 HA LEU 24 HA LEU 24 2.245 -4.456 2.557
201 1HB LEU 24 1HB LEU 24 -0.116 -4.515 3.474
202 2HB LEU 24 2HB LEU 24 1.007 -3.412 4.242
203 HG LEU 24 HG LEU 24 -0.173 -1.781 2.392
204 1HD1 LEU 24 1HD1 LEU 24 -2.513 -2.128 2.356
205 2HD1 LEU 24 2HD1 LEU 24 -2.397 -3.479 3.489
206 3HD1 LEU 24 3HD1 LEU 24 -1.765 -3.645 1.849
207 1HD2 LEU 24 1HD2 LEU 24 0.278 -1.515 4.878
208 2HD2 LEU 24 2HD2 LEU 24 -1.314 -2.231 5.130
209 3HD2 LEU 24 3HD2 LEU 24 -1.159 -0.718 4.239
210 H HIS 25 H HIS 25 0.020 -2.804 0.349
211 HA HIS 25 HA HIS 25 -1.420 -5.001 -0.572
212 1HB HIS 25 1HB HIS 25 -0.617 -2.442 -1.961
213 2HB HIS 25 2HB HIS 25 -1.687 -3.630 -2.698
214 HD1 HIS 25 HD1 HIS 25 -3.852 -4.219 -0.944
215 HD2 HIS 25 HD2 HIS 25 -1.973 -0.524 -0.691
216 HE1 HIS 25 HE1 HIS 25 -5.477 -2.672 0.223
217 H GLU 26 H GLU 26 1.706 -3.729 -1.670
218 HA GLU 26 HA GLU 26 1.974 -5.688 -3.760
219 1HB GLU 26 1HB GLU 26 4.003 -3.789 -2.566
220 2HB GLU 26 2HB GLU 26 4.264 -4.773 -3.999
221 1HG GLU 26 1HG GLU 26 3.259 -3.290 -5.302
222 2HG GLU 26 2HG GLU 26 1.855 -3.203 -4.239
223 H ASN 27 H ASN 27 3.865 -5.063 -0.786
224 HA ASN 27 HA ASN 27 4.940 -7.756 -0.859
225 1HB ASN 27 1HB ASN 27 5.702 -5.240 0.330
226 2HB ASN 27 2HB ASN 27 5.691 -6.506 1.554
227 1HD2 ASN 27 1HD2 ASN 27 6.936 -5.669 -1.640
228 2HD2 ASN 27 2HD2 ASN 27 8.369 -6.628 -1.526
229 H LYS 28 H LYS 28 3.765 -9.380 -0.096
230 HA LYS 28 HA LYS 28 2.432 -9.063 2.495
231 1HB LYS 28 1HB LYS 28 0.465 -10.318 1.673
232 2HB LYS 28 2HB LYS 28 0.663 -8.769 0.868
233 1HG LYS 28 1HG LYS 28 2.026 -10.418 -0.810
234 2HG LYS 28 2HG LYS 28 0.753 -11.488 -0.218
235 1HD LYS 28 1HD LYS 28 0.023 -8.736 -1.106
236 2HD LYS 28 2HD LYS 28 0.376 -9.958 -2.328
237 1HE LYS 28 1HE LYS 28 -1.343 -11.071 -0.326
238 2HE LYS 28 2HE LYS 28 -2.029 -9.557 -0.915
239 1HZ LYS 28 1HZ LYS 28 -2.771 -11.455 -2.222
240 2HZ LYS 28 2HZ LYS 28 -1.172 -11.834 -2.621
241 3HZ LYS 28 3HZ LYS 28 -1.860 -10.389 -3.171
242 H LYS 29 H LYS 29 2.593 -10.797 3.828
243 HA LYS 29 HA LYS 29 3.324 -13.405 2.804
244 1HB LYS 29 1HB LYS 29 5.393 -13.627 3.987
245 2HB LYS 29 2HB LYS 29 5.488 -12.168 3.014
246 1HG LYS 29 1HG LYS 29 4.705 -12.070 5.908
247 2HG LYS 29 2HG LYS 29 6.394 -12.087 5.401
248 1HD LYS 29 1HD LYS 29 5.888 -10.098 3.962
249 2HD LYS 29 2HD LYS 29 4.292 -10.039 4.711
250 1HE LYS 29 1HE LYS 29 6.825 -9.997 6.326
251 2HE LYS 29 2HE LYS 29 6.095 -8.525 5.688
252 1HZ LYS 29 1HZ LYS 29 4.847 -10.448 7.575
253 2HZ LYS 29 2HZ LYS 29 4.039 -9.133 6.882
254 3HZ LYS 29 3HZ LYS 29 5.348 -8.869 7.920
Start of MODEL 18
1 H TYR 1 H TYR 1 -9.005 13.926 6.762
2 HA TYR 1 HA TYR 1 -7.260 11.877 5.578
3 1HB TYR 1 1HB TYR 1 -10.238 12.408 5.407
4 2HB TYR 1 2HB TYR 1 -9.386 11.067 4.653
5 HD1 TYR 1 HD1 TYR 1 -11.576 11.667 7.124
6 HD2 TYR 1 HD2 TYR 1 -7.714 9.940 6.659
7 HE1 TYR 1 HE1 TYR 1 -11.943 10.317 9.144
8 HE2 TYR 1 HE2 TYR 1 -8.072 8.584 8.679
9 HH TYR 1 HH TYR 1 -10.711 7.810 9.933
10 H LYS 2 H LYS 2 -6.018 13.014 4.145
11 HA LYS 2 HA LYS 2 -7.300 14.972 2.393
12 1HB LYS 2 1HB LYS 2 -4.513 14.390 3.219
13 2HB LYS 2 2HB LYS 2 -4.729 14.981 1.579
14 1HG LYS 2 1HG LYS 2 -4.690 17.023 2.445
15 2HG LYS 2 2HG LYS 2 -6.297 16.680 3.087
16 1HD LYS 2 1HD LYS 2 -5.423 16.035 5.188
17 2HD LYS 2 2HD LYS 2 -3.775 15.959 4.561
18 1HE LYS 2 1HE LYS 2 -4.589 18.558 4.031
19 2HE LYS 2 2HE LYS 2 -5.256 18.214 5.627
20 1HZ LYS 2 1HZ LYS 2 -3.044 17.552 6.361
21 2HZ LYS 2 2HZ LYS 2 -3.041 19.144 5.791
22 3HZ LYS 2 3HZ LYS 2 -2.409 17.903 4.831
23 H PHE 3 H PHE 3 -5.138 12.143 2.033
24 HA PHE 3 HA PHE 3 -6.057 11.844 -0.729
25 1HB PHE 3 1HB PHE 3 -3.617 11.118 0.769
26 2HB PHE 3 2HB PHE 3 -4.152 9.940 -0.415
27 HD1 PHE 3 HD1 PHE 3 -4.340 10.587 -2.805
28 HD2 PHE 3 HD2 PHE 3 -2.627 13.165 0.117
29 HE1 PHE 3 HE1 PHE 3 -3.289 11.910 -4.593
30 HE2 PHE 3 HE2 PHE 3 -1.574 14.493 -1.666
31 HZ PHE 3 HZ PHE 3 -1.905 13.866 -4.025
32 H ALA 4 H ALA 4 -6.057 9.409 -1.423
33 HA ALA 4 HA ALA 4 -7.175 7.608 0.550
34 1HB ALA 4 1HB ALA 4 -9.165 8.814 -0.048
35 2HB ALA 4 2HB ALA 4 -9.241 7.208 -0.773
36 3HB ALA 4 3HB ALA 4 -8.827 8.605 -1.766
37 H CYS 5 H CYS 5 -6.770 5.504 0.052
38 HA CYS 5 HA CYS 5 -5.015 4.918 -2.100
39 1HB CYS 5 1HB CYS 5 -5.283 3.721 0.197
40 2HB CYS 5 2HB CYS 5 -6.535 2.796 -0.618
41 HG CYS 5 HG CYS 5 -4.073 1.683 -0.704
42 HA PRO 6 HA PRO 6 -8.004 4.128 -5.293
43 1HB PRO 6 1HB PRO 6 -6.393 2.841 -7.047
44 2HB PRO 6 2HB PRO 6 -6.301 4.584 -6.773
45 1HG PRO 6 1HG PRO 6 -4.579 2.399 -5.670
46 2HG PRO 6 2HG PRO 6 -4.105 3.985 -6.305
47 1HD PRO 6 1HD PRO 6 -4.308 3.456 -3.649
48 2HD PRO 6 2HD PRO 6 -4.612 5.064 -4.339
49 H GLU 7 H GLU 7 -6.205 1.612 -3.674
50 HA GLU 7 HA GLU 7 -7.944 -0.467 -4.788
51 1HB GLU 7 1HB GLU 7 -5.436 -0.755 -4.750
52 2HB GLU 7 2HB GLU 7 -5.542 -0.839 -2.997
53 1HG GLU 7 1HG GLU 7 -7.412 -2.661 -4.186
54 2HG GLU 7 2HG GLU 7 -5.797 -2.930 -4.838
55 H CYS 8 H CYS 8 -6.801 0.745 -1.622
56 HA CYS 8 HA CYS 8 -9.090 -0.621 -0.364
57 1HB CYS 8 1HB CYS 8 -7.878 -0.690 1.664
58 2HB CYS 8 2HB CYS 8 -6.739 -1.154 0.415
59 HG CYS 8 HG CYS 8 -5.300 0.679 1.133
60 HA PRO 9 HA PRO 9 -10.728 3.261 0.962
61 1HB PRO 9 1HB PRO 9 -12.053 2.582 3.176
62 2HB PRO 9 2HB PRO 9 -12.463 1.871 1.610
63 1HG PRO 9 1HG PRO 9 -10.976 0.686 3.899
64 2HG PRO 9 2HG PRO 9 -12.057 -0.096 2.733
65 1HD PRO 9 1HD PRO 9 -9.228 -0.050 2.660
66 2HD PRO 9 2HD PRO 9 -10.311 -0.620 1.381
67 H LYS 10 H LYS 10 -7.907 3.027 1.849
68 HA LYS 10 HA LYS 10 -7.943 4.109 4.551
69 1HB LYS 10 1HB LYS 10 -5.608 3.568 2.714
70 2HB LYS 10 2HB LYS 10 -5.484 4.102 4.362
71 1HG LYS 10 1HG LYS 10 -7.068 1.666 4.002
72 2HG LYS 10 2HG LYS 10 -5.361 1.522 3.579
73 1HD LYS 10 1HD LYS 10 -5.062 2.789 5.888
74 2HD LYS 10 2HD LYS 10 -6.633 2.054 6.214
75 1HE LYS 10 1HE LYS 10 -5.044 0.516 7.018
76 2HE LYS 10 2HE LYS 10 -5.595 -0.142 5.479
77 1HZ LYS 10 1HZ LYS 10 -3.132 -0.189 5.869
78 2HZ LYS 10 2HZ LYS 10 -3.138 1.497 5.735
79 3HZ LYS 10 3HZ LYS 10 -3.616 0.543 4.423
80 H ARG 11 H ARG 11 -7.013 6.120 5.080
81 HA ARG 11 HA ARG 11 -6.667 8.059 2.923
82 1HB ARG 11 1HB ARG 11 -8.552 8.411 5.247
83 2HB ARG 11 2HB ARG 11 -8.061 9.701 4.173
84 1HG ARG 11 1HG ARG 11 -10.001 9.160 3.155
85 2HG ARG 11 2HG ARG 11 -8.959 7.988 2.345
86 1HD ARG 11 1HD ARG 11 -9.663 6.239 3.796
87 2HD ARG 11 2HD ARG 11 -10.478 7.373 4.870
88 HE ARG 11 HE ARG 11 -12.299 7.302 3.498
89 1HH1 ARG 11 1HH1 ARG 11 -9.550 6.063 1.712
90 2HH1 ARG 11 2HH1 ARG 11 -10.506 5.541 0.367
91 1HH2 ARG 11 1HH2 ARG 11 -13.549 6.610 1.722
92 2HH2 ARG 11 2HH2 ARG 11 -12.775 5.852 0.372
93 H PHE 12 H PHE 12 -5.185 9.626 3.361
94 HA PHE 12 HA PHE 12 -4.120 9.838 6.080
95 1HB PHE 12 1HB PHE 12 -2.318 9.444 3.718
96 2HB PHE 12 2HB PHE 12 -1.846 9.504 5.401
97 HD1 PHE 12 HD1 PHE 12 -4.172 7.553 3.227
98 HD2 PHE 12 HD2 PHE 12 -1.311 7.487 6.376
99 HE1 PHE 12 HE1 PHE 12 -4.355 5.117 3.329
100 HE2 PHE 12 HE2 PHE 12 -1.492 5.031 6.483
101 HZ PHE 12 HZ PHE 12 -3.016 3.845 4.944
102 H MET 13 H MET 13 -3.152 11.781 6.590
103 HA MET 13 HA MET 13 -3.905 14.022 4.962
104 1HB MET 13 1HB MET 13 -2.362 13.813 7.548
105 2HB MET 13 2HB MET 13 -2.732 15.343 6.767
106 1HG MET 13 1HG MET 13 -5.159 13.944 6.938
107 2HG MET 13 2HG MET 13 -4.357 13.746 8.495
108 1HE MET 13 1HE MET 13 -3.193 15.524 9.636
109 2HE MET 13 2HE MET 13 -4.656 16.092 10.438
110 3HE MET 13 3HE MET 13 -3.593 17.242 9.628
111 H ARG 14 H ARG 14 -1.049 12.104 5.382
112 HA ARG 14 HA ARG 14 0.618 14.070 3.985
113 1HB ARG 14 1HB ARG 14 1.356 11.468 5.341
114 2HB ARG 14 2HB ARG 14 2.496 12.569 4.580
115 1HG ARG 14 1HG ARG 14 2.434 14.042 6.296
116 2HG ARG 14 2HG ARG 14 0.738 13.718 6.659
117 1HD ARG 14 1HD ARG 14 1.489 12.562 8.416
118 2HD ARG 14 2HD ARG 14 1.963 11.327 7.248
119 HE ARG 14 HE ARG 14 4.185 12.085 7.375
120 1HH1 ARG 14 1HH1 ARG 14 2.081 13.889 9.525
121 2HH1 ARG 14 2HH1 ARG 14 3.387 14.496 10.483
122 1HH2 ARG 14 1HH2 ARG 14 5.893 12.892 8.644
123 2HH2 ARG 14 2HH2 ARG 14 5.548 13.934 9.985
124 H SER 15 H SER 15 1.967 13.345 2.196
125 HA SER 15 HA SER 15 0.496 11.528 0.450
126 1HB SER 15 1HB SER 15 0.928 13.135 -1.000
127 2HB SER 15 2HB SER 15 2.110 13.896 0.059
128 HG SER 15 HG SER 15 3.679 12.919 -0.987
129 H ASP 16 H ASP 16 3.809 12.011 1.662
130 HA ASP 16 HA ASP 16 4.885 9.697 0.425
131 1HB ASP 16 1HB ASP 16 5.992 11.845 1.626
132 2HB ASP 16 2HB ASP 16 6.154 10.658 2.914
133 H HIS 17 H HIS 17 3.807 10.322 3.771
134 HA HIS 17 HA HIS 17 4.367 7.765 4.783
135 1HB HIS 17 1HB HIS 17 2.599 10.014 5.615
136 2HB HIS 17 2HB HIS 17 2.309 8.436 6.337
137 HD1 HIS 17 HD1 HIS 17 3.042 9.562 8.609
138 HD2 HIS 17 HD2 HIS 17 6.026 9.248 5.735
139 HE1 HIS 17 HE1 HIS 17 5.196 9.957 9.830
140 HE2 HIS 17 HE2 HIS 17 6.981 9.864 8.058
141 H LEU 18 H LEU 18 1.462 9.060 3.213
142 HA LEU 18 HA LEU 18 -0.240 6.881 3.569
143 1HB LEU 18 1HB LEU 18 -0.866 9.109 2.668
144 2HB LEU 18 2HB LEU 18 -0.077 8.694 1.166
145 HG LEU 18 HG LEU 18 -2.261 6.953 2.224
146 1HD1 LEU 18 1HD1 LEU 18 -2.516 9.641 0.963
147 2HD1 LEU 18 2HD1 LEU 18 -3.426 8.942 2.300
148 3HD1 LEU 18 3HD1 LEU 18 -3.727 8.397 0.651
149 1HD2 LEU 18 1HD2 LEU 18 -1.641 5.879 0.374
150 2HD2 LEU 18 2HD2 LEU 18 -0.750 7.271 -0.247
151 3HD2 LEU 18 3HD2 LEU 18 -2.494 7.163 -0.487
152 H THR 19 H THR 19 2.026 7.603 0.919
153 HA THR 19 HA THR 19 1.471 5.321 -0.593
154 HB THR 19 HB THR 19 4.101 6.815 -0.443
155 HG1 THR 19 HG1 THR 19 2.891 8.382 -1.153
156 1HG2 THR 19 1HG2 THR 19 4.272 6.182 -2.846
157 2HG2 THR 19 2HG2 THR 19 2.914 5.084 -2.593
158 3HG2 THR 19 3HG2 THR 19 4.424 4.835 -1.716
159 H LEU 20 H LEU 20 3.586 5.847 2.168
160 HA LEU 20 HA LEU 20 5.124 3.503 2.018
161 1HB LEU 20 1HB LEU 20 5.397 5.512 3.584
162 2HB LEU 20 2HB LEU 20 4.178 4.755 4.590
163 HG LEU 20 HG LEU 20 6.017 2.724 4.178
164 1HD1 LEU 20 1HD1 LEU 20 8.179 3.678 4.737
165 2HD1 LEU 20 2HD1 LEU 20 7.496 5.302 4.681
166 3HD1 LEU 20 3HD1 LEU 20 7.589 4.334 3.210
167 1HD2 LEU 20 1HD2 LEU 20 4.830 3.220 6.249
168 2HD2 LEU 20 2HD2 LEU 20 5.814 4.665 6.476
169 3HD2 LEU 20 3HD2 LEU 20 6.565 3.071 6.534
170 H HIS 21 H HIS 21 1.882 4.129 3.224
171 HA HIS 21 HA HIS 21 1.403 1.716 4.564
172 1HB HIS 21 1HB HIS 21 -0.567 2.728 4.951
173 2HB HIS 21 2HB HIS 21 -0.039 4.059 3.960
174 HD1 HIS 21 HD1 HIS 21 -1.996 4.677 2.524
175 HD2 HIS 21 HD2 HIS 21 -1.482 0.579 2.748
176 HE1 HIS 21 HE1 HIS 21 -3.801 3.638 1.093
177 H ILE 22 H ILE 22 0.630 2.710 1.279
178 HA ILE 22 HA ILE 22 -0.650 0.452 0.400
179 HB ILE 22 HB ILE 22 1.101 2.128 -1.389
180 1HG1 ILE 22 1HG1 ILE 22 -1.772 2.768 -0.971
181 2HG1 ILE 22 2HG1 ILE 22 -0.674 3.246 0.300
182 1HG2 ILE 22 1HG2 ILE 22 -0.083 1.292 -3.132
183 2HG2 ILE 22 2HG2 ILE 22 -1.575 1.180 -2.195
184 3HG2 ILE 22 3HG2 ILE 22 -0.333 -0.062 -2.029
185 1HD1 ILE 22 1HD1 ILE 22 0.605 4.130 -1.935
186 2HD1 ILE 22 2HD1 ILE 22 -0.425 5.098 -0.879
187 3HD1 ILE 22 3HD1 ILE 22 -1.095 4.369 -2.337
188 H LEU 23 H LEU 23 2.666 0.614 1.205
189 HA LEU 23 HA LEU 23 3.773 -1.239 -0.579
190 1HB LEU 23 1HB LEU 23 4.432 -0.250 2.134
191 2HB LEU 23 2HB LEU 23 5.129 -1.796 1.690
192 HG LEU 23 HG LEU 23 6.090 -0.703 -0.349
193 1HD1 LEU 23 1HD1 LEU 23 4.653 1.180 -0.615
194 2HD1 LEU 23 2HD1 LEU 23 6.269 1.789 -0.257
195 3HD1 LEU 23 3HD1 LEU 23 5.034 1.772 1.001
196 1HD2 LEU 23 1HD2 LEU 23 7.942 0.267 0.806
197 2HD2 LEU 23 2HD2 LEU 23 7.343 -1.078 1.778
198 3HD2 LEU 23 3HD2 LEU 23 6.956 0.581 2.234
199 H LEU 24 H LEU 24 1.691 -1.664 2.228
200 HA LEU 24 HA LEU 24 2.101 -4.398 2.703
201 1HB LEU 24 1HB LEU 24 -0.269 -4.366 3.602
202 2HB LEU 24 2HB LEU 24 0.880 -3.273 4.346
203 HG LEU 24 HG LEU 24 -0.238 -1.663 2.444
204 1HD1 LEU 24 1HD1 LEU 24 -1.874 -3.488 1.922
205 2HD1 LEU 24 2HD1 LEU 24 -2.585 -1.940 2.388
206 3HD1 LEU 24 3HD1 LEU 24 -2.522 -3.270 3.548
207 1HD2 LEU 24 1HD2 LEU 24 -1.419 -2.013 5.180
208 2HD2 LEU 24 2HD2 LEU 24 -1.223 -0.527 4.250
209 3HD2 LEU 24 3HD2 LEU 24 0.190 -1.339 4.925
210 H HIS 25 H HIS 25 0.007 -2.765 0.375
211 HA HIS 25 HA HIS 25 -1.522 -4.956 -0.446
212 1HB HIS 25 1HB HIS 25 -0.671 -2.470 -1.930
213 2HB HIS 25 2HB HIS 25 -1.808 -3.643 -2.587
214 HD1 HIS 25 HD1 HIS 25 -3.607 -4.169 -0.182
215 HD2 HIS 25 HD2 HIS 25 -2.226 -0.394 -1.229
216 HE1 HIS 25 HE1 HIS 25 -5.217 -2.513 0.843
217 H GLU 26 H GLU 26 1.765 -4.092 -1.246
218 HA GLU 26 HA GLU 26 2.170 -5.411 -3.637
219 1HB GLU 26 1HB GLU 26 3.797 -4.013 -2.170
220 2HB GLU 26 2HB GLU 26 4.211 -5.558 -1.439
221 1HG GLU 26 1HG GLU 26 5.016 -6.415 -3.496
222 2HG GLU 26 2HG GLU 26 4.349 -5.054 -4.398
223 H ASN 27 H ASN 27 2.203 -6.775 -0.353
224 HA ASN 27 HA ASN 27 1.976 -9.456 -1.548
225 1HB ASN 27 1HB ASN 27 4.195 -8.508 -0.114
226 2HB ASN 27 2HB ASN 27 3.319 -9.534 1.018
227 1HD2 ASN 27 1HD2 ASN 27 4.827 -9.428 -2.155
228 2HD2 ASN 27 2HD2 ASN 27 5.120 -11.126 -2.274
229 H LYS 28 H LYS 28 1.683 -10.937 0.767
230 HA LYS 28 HA LYS 28 -0.406 -9.711 2.372
231 1HB LYS 28 1HB LYS 28 -1.971 -11.626 1.934
232 2HB LYS 28 2HB LYS 28 -1.756 -10.525 0.582
233 1HG LYS 28 1HG LYS 28 0.032 -12.227 -0.204
234 2HG LYS 28 2HG LYS 28 -0.782 -13.331 0.906
235 1HD LYS 28 1HD LYS 28 -2.261 -11.771 -1.202
236 2HD LYS 28 2HD LYS 28 -1.560 -13.361 -1.515
237 1HE LYS 28 1HE LYS 28 -3.530 -14.160 -0.809
238 2HE LYS 28 2HE LYS 28 -2.934 -13.793 0.808
239 1HZ LYS 28 1HZ LYS 28 -4.029 -11.649 0.699
240 2HZ LYS 28 2HZ LYS 28 -5.148 -12.889 0.432
241 3HZ LYS 28 3HZ LYS 28 -4.577 -11.972 -0.869
242 H LYS 29 H LYS 29 0.024 -10.208 4.404
243 HA LYS 29 HA LYS 29 1.200 -12.845 5.002
244 1HB LYS 29 1HB LYS 29 2.306 -11.721 6.963
245 2HB LYS 29 2HB LYS 29 2.914 -11.237 5.388
246 1HG LYS 29 1HG LYS 29 2.196 -9.109 5.612
247 2HG LYS 29 2HG LYS 29 0.751 -9.573 6.510
248 1HD LYS 29 1HD LYS 29 3.495 -9.763 7.718
249 2HD LYS 29 2HD LYS 29 2.562 -8.266 7.761
250 1HE LYS 29 1HE LYS 29 1.511 -9.020 9.567
251 2HE LYS 29 2HE LYS 29 0.814 -10.308 8.586
252 1HZ LYS 29 1HZ LYS 29 1.975 -11.185 10.514
253 2HZ LYS 29 2HZ LYS 29 3.414 -10.447 10.019
254 3HZ LYS 29 3HZ LYS 29 2.735 -11.684 9.087
Start of MODEL 19
1 H TYR 1 H TYR 1 -10.520 14.219 4.989
2 HA TYR 1 HA TYR 1 -7.774 13.198 5.183
3 1HB TYR 1 1HB TYR 1 -10.150 12.152 3.636
4 2HB TYR 1 2HB TYR 1 -8.666 11.300 4.046
5 HD1 TYR 1 HD1 TYR 1 -8.256 11.361 6.774
6 HD2 TYR 1 HD2 TYR 1 -12.011 11.438 4.772
7 HE1 TYR 1 HE1 TYR 1 -9.341 10.453 8.784
8 HE2 TYR 1 HE2 TYR 1 -13.105 10.531 6.777
9 HH TYR 1 HH TYR 1 -12.287 10.649 9.533
10 H LYS 2 H LYS 2 -6.377 13.557 3.561
11 HA LYS 2 HA LYS 2 -7.248 15.291 1.377
12 1HB LYS 2 1HB LYS 2 -4.655 14.703 2.699
13 2HB LYS 2 2HB LYS 2 -4.602 15.144 0.998
14 1HG LYS 2 1HG LYS 2 -4.956 17.289 1.449
15 2HG LYS 2 2HG LYS 2 -6.314 16.920 2.512
16 1HD LYS 2 1HD LYS 2 -3.756 16.196 3.690
17 2HD LYS 2 2HD LYS 2 -3.846 17.910 3.281
18 1HE LYS 2 1HE LYS 2 -4.634 17.651 5.520
19 2HE LYS 2 2HE LYS 2 -6.022 18.012 4.497
20 1HZ LYS 2 1HZ LYS 2 -5.390 15.195 4.953
21 2HZ LYS 2 2HZ LYS 2 -6.892 15.955 4.791
22 3HZ LYS 2 3HZ LYS 2 -6.045 16.061 6.252
23 H PHE 3 H PHE 3 -5.231 12.357 1.751
24 HA PHE 3 HA PHE 3 -5.761 11.711 -1.058
25 1HB PHE 3 1HB PHE 3 -3.555 11.164 0.840
26 2HB PHE 3 2HB PHE 3 -3.931 9.891 -0.305
27 HD1 PHE 3 HD1 PHE 3 -2.708 13.311 0.094
28 HD2 PHE 3 HD2 PHE 3 -3.513 10.173 -2.666
29 HE1 PHE 3 HE1 PHE 3 -1.393 14.486 -1.620
30 HE2 PHE 3 HE2 PHE 3 -2.198 11.343 -4.386
31 HZ PHE 3 HZ PHE 3 -1.136 13.503 -3.863
32 H ALA 4 H ALA 4 -5.854 9.291 -1.508
33 HA ALA 4 HA ALA 4 -7.075 7.650 0.538
34 1HB ALA 4 1HB ALA 4 -9.145 7.246 -0.720
35 2HB ALA 4 2HB ALA 4 -8.666 8.472 -1.893
36 3HB ALA 4 3HB ALA 4 -9.000 8.932 -0.223
37 H CYS 5 H CYS 5 -6.899 5.464 0.096
38 HA CYS 5 HA CYS 5 -5.065 4.731 -1.974
39 1HB CYS 5 1HB CYS 5 -5.318 3.647 0.349
40 2HB CYS 5 2HB CYS 5 -6.671 2.770 -0.349
41 HG CYS 5 HG CYS 5 -3.829 2.480 -1.571
42 HA PRO 6 HA PRO 6 -8.071 3.815 -5.114
43 1HB PRO 6 1HB PRO 6 -6.453 2.571 -6.871
44 2HB PRO 6 2HB PRO 6 -6.362 4.311 -6.581
45 1HG PRO 6 1HG PRO 6 -4.625 2.120 -5.520
46 2HG PRO 6 2HG PRO 6 -4.164 3.722 -6.122
47 1HD PRO 6 1HD PRO 6 -4.394 3.099 -3.466
48 2HD PRO 6 2HD PRO 6 -4.609 4.736 -4.120
49 H GLU 7 H GLU 7 -6.269 1.405 -3.384
50 HA GLU 7 HA GLU 7 -7.893 -0.765 -4.497
51 1HB GLU 7 1HB GLU 7 -5.314 -0.853 -4.238
52 2HB GLU 7 2HB GLU 7 -5.647 -1.126 -2.533
53 1HG GLU 7 1HG GLU 7 -6.739 -3.163 -2.965
54 2HG GLU 7 2HG GLU 7 -6.852 -2.826 -4.692
55 H CYS 8 H CYS 8 -6.933 0.640 -1.357
56 HA CYS 8 HA CYS 8 -9.265 -0.695 -0.142
57 1HB CYS 8 1HB CYS 8 -8.113 -0.682 1.960
58 2HB CYS 8 2HB CYS 8 -7.028 -1.350 0.753
59 HG CYS 8 HG CYS 8 -5.412 0.378 1.340
60 HA PRO 9 HA PRO 9 -10.834 3.267 1.009
61 1HB PRO 9 1HB PRO 9 -12.267 2.702 3.190
62 2HB PRO 9 2HB PRO 9 -12.643 1.965 1.629
63 1HG PRO 9 1HG PRO 9 -11.293 0.788 4.003
64 2HG PRO 9 2HG PRO 9 -12.357 0.017 2.817
65 1HD PRO 9 1HD PRO 9 -9.532 -0.054 2.855
66 2HD PRO 9 2HD PRO 9 -10.585 -0.605 1.543
67 H LYS 10 H LYS 10 -8.078 3.126 1.932
68 HA LYS 10 HA LYS 10 -8.154 4.173 4.649
69 1HB LYS 10 1HB LYS 10 -5.829 3.623 2.797
70 2HB LYS 10 2HB LYS 10 -5.661 4.340 4.371
71 1HG LYS 10 1HG LYS 10 -5.541 1.660 3.782
72 2HG LYS 10 2HG LYS 10 -5.701 2.375 5.384
73 1HD LYS 10 1HD LYS 10 -8.180 2.273 5.107
74 2HD LYS 10 2HD LYS 10 -7.926 1.401 3.593
75 1HE LYS 10 1HE LYS 10 -6.648 -0.312 4.884
76 2HE LYS 10 2HE LYS 10 -7.119 0.524 6.363
77 1HZ LYS 10 1HZ LYS 10 -8.789 -1.012 4.489
78 2HZ LYS 10 2HZ LYS 10 -9.494 0.211 5.420
79 3HZ LYS 10 3HZ LYS 10 -8.725 -1.090 6.178
80 H ARG 11 H ARG 11 -7.037 6.198 5.154
81 HA ARG 11 HA ARG 11 -6.842 8.165 3.027
82 1HB ARG 11 1HB ARG 11 -8.309 9.558 4.944
83 2HB ARG 11 2HB ARG 11 -8.865 9.041 3.363
84 1HG ARG 11 1HG ARG 11 -10.494 8.306 4.876
85 2HG ARG 11 2HG ARG 11 -9.560 6.869 4.464
86 1HD ARG 11 1HD ARG 11 -8.645 6.700 6.545
87 2HD ARG 11 2HD ARG 11 -8.684 8.441 6.823
88 HE ARG 11 HE ARG 11 -11.308 7.716 6.809
89 1HH1 ARG 11 1HH1 ARG 11 -8.505 6.646 8.617
90 2HH1 ARG 11 2HH1 ARG 11 -9.424 6.211 10.017
91 1HH2 ARG 11 1HH2 ARG 11 -12.510 7.142 8.661
92 2HH2 ARG 11 2HH2 ARG 11 -11.695 6.491 10.043
93 H PHE 12 H PHE 12 -5.208 9.543 3.398
94 HA PHE 12 HA PHE 12 -4.318 9.977 6.165
95 1HB PHE 12 1HB PHE 12 -2.359 9.501 3.956
96 2HB PHE 12 2HB PHE 12 -2.045 9.531 5.675
97 HD1 PHE 12 HD1 PHE 12 -4.265 7.650 3.332
98 HD2 PHE 12 HD2 PHE 12 -1.549 7.487 6.601
99 HE1 PHE 12 HE1 PHE 12 -4.475 5.215 3.372
100 HE2 PHE 12 HE2 PHE 12 -1.760 5.033 6.650
101 HZ PHE 12 HZ PHE 12 -3.223 3.895 5.019
102 H MET 13 H MET 13 -3.043 11.873 6.496
103 HA MET 13 HA MET 13 -3.761 14.024 4.674
104 1HB MET 13 1HB MET 13 -2.963 15.529 6.419
105 2HB MET 13 2HB MET 13 -4.084 14.352 7.087
106 1HG MET 13 1HG MET 13 -1.966 13.025 7.714
107 2HG MET 13 2HG MET 13 -1.122 14.548 7.443
108 1HE MET 13 1HE MET 13 -2.502 12.407 10.176
109 2HE MET 13 2HE MET 13 -3.998 12.776 9.319
110 3HE MET 13 3HE MET 13 -3.751 13.374 10.960
111 H ARG 14 H ARG 14 -1.069 12.001 5.298
112 HA ARG 14 HA ARG 14 0.823 13.880 4.078
113 1HB ARG 14 1HB ARG 14 1.454 11.150 5.206
114 2HB ARG 14 2HB ARG 14 2.575 12.458 4.860
115 1HG ARG 14 1HG ARG 14 2.436 12.733 7.096
116 2HG ARG 14 2HG ARG 14 1.034 13.705 6.643
117 1HD ARG 14 1HD ARG 14 -0.247 12.385 7.887
118 2HD ARG 14 2HD ARG 14 0.147 11.037 6.818
119 HE ARG 14 HE ARG 14 2.088 11.592 8.893
120 1HH1 ARG 14 1HH1 ARG 14 -0.736 9.736 7.964
121 2HH1 ARG 14 2HH1 ARG 14 -0.452 8.493 9.134
122 1HH2 ARG 14 1HH2 ARG 14 2.455 9.950 10.428
123 2HH2 ARG 14 2HH2 ARG 14 1.358 8.613 10.533
124 H SER 15 H SER 15 2.229 13.116 2.352
125 HA SER 15 HA SER 15 0.758 11.419 0.487
126 1HB SER 15 1HB SER 15 1.286 13.137 -0.813
127 2HB SER 15 2HB SER 15 2.602 13.675 0.228
128 HG SER 15 HG SER 15 3.976 12.610 -0.977
129 H ASP 16 H ASP 16 4.106 11.775 1.684
130 HA ASP 16 HA ASP 16 5.006 9.360 0.487
131 1HB ASP 16 1HB ASP 16 7.068 9.705 1.688
132 2HB ASP 16 2HB ASP 16 6.506 11.254 1.079
133 H HIS 17 H HIS 17 3.903 10.163 3.768
134 HA HIS 17 HA HIS 17 4.479 7.617 4.888
135 1HB HIS 17 1HB HIS 17 2.629 9.846 5.726
136 2HB HIS 17 2HB HIS 17 2.771 8.350 6.639
137 HD1 HIS 17 HD1 HIS 17 3.597 10.146 8.518
138 HD2 HIS 17 HD2 HIS 17 6.179 9.405 5.353
139 HE1 HIS 17 HE1 HIS 17 5.837 10.978 9.275
140 HE2 HIS 17 HE2 HIS 17 7.375 10.585 7.319
141 H LEU 18 H LEU 18 1.600 8.999 3.349
142 HA LEU 18 HA LEU 18 -0.171 6.885 3.873
143 1HB LEU 18 1HB LEU 18 -0.858 9.073 3.030
144 2HB LEU 18 2HB LEU 18 -0.048 8.765 1.517
145 HG LEU 18 HG LEU 18 -2.258 6.982 2.470
146 1HD1 LEU 18 1HD1 LEU 18 -3.686 8.432 0.917
147 2HD1 LEU 18 2HD1 LEU 18 -2.439 9.660 1.155
148 3HD1 LEU 18 3HD1 LEU 18 -3.342 9.042 2.534
149 1HD2 LEU 18 1HD2 LEU 18 -0.632 7.254 0.085
150 2HD2 LEU 18 2HD2 LEU 18 -2.361 7.266 -0.265
151 3HD2 LEU 18 3HD2 LEU 18 -1.649 5.916 0.623
152 H THR 19 H THR 19 2.025 7.507 1.151
153 HA THR 19 HA THR 19 1.321 5.256 -0.345
154 HB THR 19 HB THR 19 3.985 6.695 -0.260
155 HG1 THR 19 HG1 THR 19 2.747 8.220 -1.029
156 1HG2 THR 19 1HG2 THR 19 2.821 4.830 -2.307
157 2HG2 THR 19 2HG2 THR 19 4.350 4.679 -1.439
158 3HG2 THR 19 3HG2 THR 19 4.142 5.948 -2.647
159 H LEU 20 H LEU 20 3.494 5.686 2.379
160 HA LEU 20 HA LEU 20 4.963 3.305 2.217
161 1HB LEU 20 1HB LEU 20 5.322 5.239 3.810
162 2HB LEU 20 2HB LEU 20 4.000 4.605 4.768
163 HG LEU 20 HG LEU 20 6.155 2.680 4.154
164 1HD1 LEU 20 1HD1 LEU 20 7.643 3.559 5.871
165 2HD1 LEU 20 2HD1 LEU 20 6.606 4.973 6.058
166 3HD1 LEU 20 3HD1 LEU 20 7.464 4.704 4.541
167 1HD2 LEU 20 1HD2 LEU 20 4.423 1.936 5.570
168 2HD2 LEU 20 2HD2 LEU 20 4.475 3.410 6.537
169 3HD2 LEU 20 3HD2 LEU 20 5.800 2.250 6.627
170 H HIS 21 H HIS 21 1.732 3.994 3.409
171 HA HIS 21 HA HIS 21 1.184 1.544 4.661
172 1HB HIS 21 1HB HIS 21 -0.758 2.586 5.098
173 2HB HIS 21 2HB HIS 21 -0.168 3.962 4.211
174 HD1 HIS 21 HD1 HIS 21 -1.973 4.765 2.693
175 HD2 HIS 21 HD2 HIS 21 -1.855 0.633 2.898
176 HE1 HIS 21 HE1 HIS 21 -3.840 3.915 1.217
177 H ILE 22 H ILE 22 0.487 2.717 1.413
178 HA ILE 22 HA ILE 22 -0.823 0.464 0.438
179 HB ILE 22 HB ILE 22 0.831 2.297 -1.290
180 1HG1 ILE 22 1HG1 ILE 22 -2.034 2.872 -0.752
181 2HG1 ILE 22 2HG1 ILE 22 -0.899 3.297 0.509
182 1HG2 ILE 22 1HG2 ILE 22 -0.530 0.133 -2.051
183 2HG2 ILE 22 2HG2 ILE 22 -0.433 1.586 -3.045
184 3HG2 ILE 22 3HG2 ILE 22 -1.855 1.296 -2.041
185 1HD1 ILE 22 1HD1 ILE 22 -0.516 5.173 -0.561
186 2HD1 ILE 22 2HD1 ILE 22 -1.518 4.656 -1.913
187 3HD1 ILE 22 3HD1 ILE 22 0.197 4.246 -1.878
188 H LEU 23 H LEU 23 2.536 0.838 1.081
189 HA LEU 23 HA LEU 23 3.662 -0.865 -0.828
190 1HB LEU 23 1HB LEU 23 4.498 0.401 1.573
191 2HB LEU 23 2HB LEU 23 4.948 -1.289 1.680
192 HG LEU 23 HG LEU 23 5.623 0.186 -0.820
193 1HD1 LEU 23 1HD1 LEU 23 6.302 1.728 0.947
194 2HD1 LEU 23 2HD1 LEU 23 7.701 1.000 0.158
195 3HD1 LEU 23 3HD1 LEU 23 7.189 0.429 1.746
196 1HD2 LEU 23 1HD2 LEU 23 6.053 -2.211 -0.641
197 2HD2 LEU 23 2HD2 LEU 23 7.030 -1.936 0.801
198 3HD2 LEU 23 3HD2 LEU 23 7.560 -1.302 -0.757
199 H LEU 24 H LEU 24 1.798 -1.572 2.069
200 HA LEU 24 HA LEU 24 2.490 -4.304 2.290
201 1HB LEU 24 1HB LEU 24 0.976 -4.417 3.990
202 2HB LEU 24 2HB LEU 24 1.302 -2.701 3.960
203 HG LEU 24 HG LEU 24 -0.985 -2.777 4.237
204 1HD1 LEU 24 1HD1 LEU 24 -1.566 -2.755 1.431
205 2HD1 LEU 24 2HD1 LEU 24 -0.082 -1.870 1.765
206 3HD1 LEU 24 3HD1 LEU 24 -1.573 -1.430 2.592
207 1HD2 LEU 24 1HD2 LEU 24 -0.859 -5.353 3.513
208 2HD2 LEU 24 2HD2 LEU 24 -1.657 -4.681 2.091
209 3HD2 LEU 24 3HD2 LEU 24 -2.372 -4.464 3.687
210 H HIS 25 H HIS 25 0.438 -2.674 0.051
211 HA HIS 25 HA HIS 25 -1.257 -4.905 -0.556
212 1HB HIS 25 1HB HIS 25 -0.690 -2.324 -2.028
213 2HB HIS 25 2HB HIS 25 -1.837 -3.531 -2.597
214 HD1 HIS 25 HD1 HIS 25 -3.588 -4.175 -0.334
215 HD2 HIS 25 HD2 HIS 25 -2.021 -0.358 -0.815
216 HE1 HIS 25 HE1 HIS 25 -5.087 -2.619 0.982
217 H GLU 26 H GLU 26 1.674 -3.497 -1.969
218 HA GLU 26 HA GLU 26 1.826 -5.276 -4.179
219 1HB GLU 26 1HB GLU 26 3.684 -3.340 -2.869
220 2HB GLU 26 2HB GLU 26 4.365 -4.531 -3.968
221 1HG GLU 26 1HG GLU 26 2.872 -3.749 -5.738
222 2HG GLU 26 2HG GLU 26 2.198 -2.551 -4.635
223 H ASN 27 H ASN 27 3.176 -5.312 -0.910
224 HA ASN 27 HA ASN 27 4.871 -7.540 -1.216
225 1HB ASN 27 1HB ASN 27 3.474 -6.491 1.255
226 2HB ASN 27 2HB ASN 27 4.757 -7.695 1.268
227 1HD2 ASN 27 1HD2 ASN 27 4.537 -4.921 2.370
228 2HD2 ASN 27 2HD2 ASN 27 5.934 -4.102 1.771
229 H LYS 28 H LYS 28 1.482 -7.288 -0.172
230 HA LYS 28 HA LYS 28 1.207 -10.114 0.250
231 1HB LYS 28 1HB LYS 28 -0.131 -8.277 1.406
232 2HB LYS 28 2HB LYS 28 -1.043 -8.134 -0.090
233 1HG LYS 28 1HG LYS 28 -1.774 -10.435 0.100
234 2HG LYS 28 2HG LYS 28 -0.795 -10.646 1.553
235 1HD LYS 28 1HD LYS 28 -2.180 -8.628 2.446
236 2HD LYS 28 2HD LYS 28 -3.313 -9.076 1.169
237 1HE LYS 28 1HE LYS 28 -3.175 -11.443 2.130
238 2HE LYS 28 2HE LYS 28 -2.412 -10.698 3.533
239 1HZ LYS 28 1HZ LYS 28 -5.119 -10.086 2.475
240 2HZ LYS 28 2HZ LYS 28 -4.387 -9.287 3.774
241 3HZ LYS 28 3HZ LYS 28 -4.765 -10.931 3.897
242 H LYS 29 H LYS 29 0.792 -11.628 -1.219
243 HA LYS 29 HA LYS 29 0.182 -10.819 -3.956
244 1HB LYS 29 1HB LYS 29 2.042 -12.428 -3.432
245 2HB LYS 29 2HB LYS 29 0.822 -13.585 -2.920
246 1HG LYS 29 1HG LYS 29 0.383 -12.467 -5.591
247 2HG LYS 29 2HG LYS 29 1.859 -13.418 -5.422
248 1HD LYS 29 1HD LYS 29 0.606 -15.307 -4.607
249 2HD LYS 29 2HD LYS 29 -0.882 -14.359 -4.584
250 1HE LYS 29 1HE LYS 29 -1.263 -15.158 -6.631
251 2HE LYS 29 2HE LYS 29 0.016 -14.074 -7.176
252 1HZ LYS 29 1HZ LYS 29 1.612 -15.867 -6.868
253 2HZ LYS 29 2HZ LYS 29 0.391 -16.329 -7.942
254 3HZ LYS 29 3HZ LYS 29 0.379 -16.906 -6.352
Start of MODEL 20
1 H TYR 1 H TYR 1 -9.344 13.930 5.853
2 HA TYR 1 HA TYR 1 -6.492 13.549 5.269
3 1HB TYR 1 1HB TYR 1 -8.943 11.817 4.863
4 2HB TYR 1 2HB TYR 1 -7.280 11.351 4.522
5 HD1 TYR 1 HD1 TYR 1 -9.873 11.333 6.938
6 HD2 TYR 1 HD2 TYR 1 -5.639 11.399 6.537
7 HE1 TYR 1 HE1 TYR 1 -9.650 10.487 9.235
8 HE2 TYR 1 HE2 TYR 1 -5.403 10.551 8.832
9 HH TYR 1 HH TYR 1 -7.389 10.729 11.075
10 H LYS 2 H LYS 2 -5.761 14.044 3.305
11 HA LYS 2 HA LYS 2 -7.653 15.052 1.320
12 1HB LYS 2 1HB LYS 2 -4.724 15.387 1.797
13 2HB LYS 2 2HB LYS 2 -5.347 15.630 0.171
14 1HG LYS 2 1HG LYS 2 -7.065 17.059 1.858
15 2HG LYS 2 2HG LYS 2 -5.431 17.384 2.441
16 1HD LYS 2 1HD LYS 2 -5.387 17.492 -0.399
17 2HD LYS 2 2HD LYS 2 -6.753 18.458 0.162
18 1HE LYS 2 1HE LYS 2 -5.328 19.779 1.560
19 2HE LYS 2 2HE LYS 2 -3.955 18.717 1.250
20 1HZ LYS 2 1HZ LYS 2 -5.318 20.405 -0.782
21 2HZ LYS 2 2HZ LYS 2 -3.981 19.405 -1.062
22 3HZ LYS 2 3HZ LYS 2 -3.831 20.753 -0.052
23 H PHE 3 H PHE 3 -5.048 12.639 1.596
24 HA PHE 3 HA PHE 3 -5.562 11.680 -1.089
25 1HB PHE 3 1HB PHE 3 -3.526 11.065 1.028
26 2HB PHE 3 2HB PHE 3 -3.735 10.008 -0.349
27 HD1 PHE 3 HD1 PHE 3 -2.887 13.457 0.648
28 HD2 PHE 3 HD2 PHE 3 -2.816 10.542 -2.453
29 HE1 PHE 3 HE1 PHE 3 -1.411 14.910 -0.679
30 HE2 PHE 3 HE2 PHE 3 -1.340 11.991 -3.785
31 HZ PHE 3 HZ PHE 3 -0.635 14.177 -2.898
32 H ALA 4 H ALA 4 -5.765 9.333 -1.467
33 HA ALA 4 HA ALA 4 -6.954 7.723 0.626
34 1HB ALA 4 1HB ALA 4 -9.035 7.299 -0.604
35 2HB ALA 4 2HB ALA 4 -8.565 8.500 -1.807
36 3HB ALA 4 3HB ALA 4 -8.885 8.995 -0.145
37 H CYS 5 H CYS 5 -6.957 5.497 0.133
38 HA CYS 5 HA CYS 5 -5.065 4.739 -1.899
39 1HB CYS 5 1HB CYS 5 -5.329 3.684 0.436
40 2HB CYS 5 2HB CYS 5 -6.681 2.806 -0.258
41 HG CYS 5 HG CYS 5 -3.803 2.487 -1.391
42 HA PRO 6 HA PRO 6 -8.072 3.764 -5.024
43 1HB PRO 6 1HB PRO 6 -6.452 2.527 -6.775
44 2HB PRO 6 2HB PRO 6 -6.350 4.268 -6.483
45 1HG PRO 6 1HG PRO 6 -4.633 2.063 -5.409
46 2HG PRO 6 2HG PRO 6 -4.155 3.655 -6.026
47 1HD PRO 6 1HD PRO 6 -4.397 3.060 -3.365
48 2HD PRO 6 2HD PRO 6 -4.594 4.693 -4.033
49 H GLU 7 H GLU 7 -6.224 1.386 -3.285
50 HA GLU 7 HA GLU 7 -7.803 -0.828 -4.369
51 1HB GLU 7 1HB GLU 7 -5.172 -0.557 -3.068
52 2HB GLU 7 2HB GLU 7 -6.102 -1.961 -2.565
53 1HG GLU 7 1HG GLU 7 -6.233 -2.764 -4.809
54 2HG GLU 7 2HG GLU 7 -5.518 -1.278 -5.434
55 H CYS 8 H CYS 8 -6.876 0.590 -1.223
56 HA CYS 8 HA CYS 8 -9.214 -0.742 -0.018
57 1HB CYS 8 1HB CYS 8 -8.065 -0.691 2.086
58 2HB CYS 8 2HB CYS 8 -6.968 -1.351 0.886
59 HG CYS 8 HG CYS 8 -5.396 0.467 1.337
60 HA PRO 9 HA PRO 9 -10.847 3.207 1.087
61 1HB PRO 9 1HB PRO 9 -12.215 2.673 3.322
62 2HB PRO 9 2HB PRO 9 -12.629 1.916 1.781
63 1HG PRO 9 1HG PRO 9 -11.225 0.771 4.136
64 2HG PRO 9 2HG PRO 9 -12.300 -0.020 2.972
65 1HD PRO 9 1HD PRO 9 -9.475 -0.065 2.976
66 2HD PRO 9 2HD PRO 9 -10.539 -0.645 1.685
67 H LYS 10 H LYS 10 -8.050 2.964 2.046
68 HA LYS 10 HA LYS 10 -8.086 4.158 4.688
69 1HB LYS 10 1HB LYS 10 -5.756 3.600 2.838
70 2HB LYS 10 2HB LYS 10 -5.624 4.198 4.466
71 1HG LYS 10 1HG LYS 10 -7.048 1.632 3.945
72 2HG LYS 10 2HG LYS 10 -5.286 1.683 4.015
73 1HD LYS 10 1HD LYS 10 -5.701 1.277 6.213
74 2HD LYS 10 2HD LYS 10 -5.813 3.037 6.248
75 1HE LYS 10 1HE LYS 10 -8.080 3.026 6.504
76 2HE LYS 10 2HE LYS 10 -8.282 1.517 5.617
77 1HZ LYS 10 1HZ LYS 10 -7.437 0.312 7.524
78 2HZ LYS 10 2HZ LYS 10 -8.766 1.256 7.975
79 3HZ LYS 10 3HZ LYS 10 -7.201 1.756 8.374
80 H ARG 11 H ARG 11 -7.026 6.190 5.129
81 HA ARG 11 HA ARG 11 -6.807 8.091 2.934
82 1HB ARG 11 1HB ARG 11 -8.291 9.722 4.170
83 2HB ARG 11 2HB ARG 11 -9.119 8.369 3.417
84 1HG ARG 11 1HG ARG 11 -8.920 7.257 5.744
85 2HG ARG 11 2HG ARG 11 -8.619 8.898 6.316
86 1HD ARG 11 1HD ARG 11 -10.792 9.350 6.257
87 2HD ARG 11 2HD ARG 11 -10.860 8.928 4.547
88 HE ARG 11 HE ARG 11 -10.867 6.566 6.067
89 1HH1 ARG 11 1HH1 ARG 11 -12.940 9.303 5.373
90 2HH1 ARG 11 2HH1 ARG 11 -14.403 8.414 5.626
91 1HH2 ARG 11 1HH2 ARG 11 -12.798 5.402 6.403
92 2HH2 ARG 11 2HH2 ARG 11 -14.325 6.199 6.211
93 H PHE 12 H PHE 12 -5.183 9.506 3.280
94 HA PHE 12 HA PHE 12 -4.269 9.939 6.039
95 1HB PHE 12 1HB PHE 12 -2.365 9.439 3.783
96 2HB PHE 12 2HB PHE 12 -1.987 9.534 5.488
97 HD1 PHE 12 HD1 PHE 12 -4.294 7.554 3.311
98 HD2 PHE 12 HD2 PHE 12 -1.429 7.525 6.456
99 HE1 PHE 12 HE1 PHE 12 -4.483 5.122 3.447
100 HE2 PHE 12 HE2 PHE 12 -1.621 5.074 6.600
101 HZ PHE 12 HZ PHE 12 -3.150 3.869 5.079
102 H MET 13 H MET 13 -3.150 11.871 6.426
103 HA MET 13 HA MET 13 -3.885 14.037 4.665
104 1HB MET 13 1HB MET 13 -2.477 13.921 7.330
105 2HB MET 13 2HB MET 13 -2.685 15.423 6.441
106 1HG MET 13 1HG MET 13 -5.045 13.701 7.061
107 2HG MET 13 2HG MET 13 -4.377 14.778 8.284
108 1HE MET 13 1HE MET 13 -7.293 15.849 7.933
109 2HE MET 13 2HE MET 13 -6.717 17.509 7.770
110 3HE MET 13 3HE MET 13 -5.855 16.373 8.808
111 H ARG 14 H ARG 14 -1.078 12.098 5.265
112 HA ARG 14 HA ARG 14 0.670 13.972 3.842
113 1HB ARG 14 1HB ARG 14 1.307 11.419 5.334
114 2HB ARG 14 2HB ARG 14 2.496 12.451 4.554
115 1HG ARG 14 1HG ARG 14 2.435 13.999 6.199
116 2HG ARG 14 2HG ARG 14 0.716 13.756 6.516
117 1HD ARG 14 1HD ARG 14 1.333 12.633 8.339
118 2HD ARG 14 2HD ARG 14 1.872 11.353 7.251
119 HE ARG 14 HE ARG 14 4.090 12.165 7.440
120 1HH1 ARG 14 1HH1 ARG 14 1.852 13.844 9.558
121 2HH1 ARG 14 2HH1 ARG 14 3.100 14.439 10.596
122 1HH2 ARG 14 1HH2 ARG 14 5.719 12.957 8.816
123 2HH2 ARG 14 2HH2 ARG 14 5.292 13.939 10.177
124 H SER 15 H SER 15 2.074 13.138 2.142
125 HA SER 15 HA SER 15 0.630 11.266 0.428
126 1HB SER 15 1HB SER 15 1.093 12.876 -1.023
127 2HB SER 15 2HB SER 15 2.362 13.572 -0.019
128 HG SER 15 HG SER 15 2.523 11.695 -2.066
129 H ASP 16 H ASP 16 3.902 11.782 1.732
130 HA ASP 16 HA ASP 16 5.004 9.413 0.626
131 1HB ASP 16 1HB ASP 16 6.113 11.590 1.719
132 2HB ASP 16 2HB ASP 16 6.170 10.521 3.115
133 H HIS 17 H HIS 17 3.835 10.187 3.911
134 HA HIS 17 HA HIS 17 4.337 7.659 5.033
135 1HB HIS 17 1HB HIS 17 2.584 9.964 5.745
136 2HB HIS 17 2HB HIS 17 2.283 8.424 6.535
137 HD1 HIS 17 HD1 HIS 17 3.000 9.673 8.755
138 HD2 HIS 17 HD2 HIS 17 6.010 9.177 5.935
139 HE1 HIS 17 HE1 HIS 17 5.145 10.119 9.975
140 HE2 HIS 17 HE2 HIS 17 6.961 9.726 8.276
141 H LEU 18 H LEU 18 1.493 8.956 3.362
142 HA LEU 18 HA LEU 18 -0.246 6.799 3.767
143 1HB LEU 18 1HB LEU 18 -0.848 9.020 2.837
144 2HB LEU 18 2HB LEU 18 -0.055 8.584 1.345
145 HG LEU 18 HG LEU 18 -2.271 6.884 2.411
146 1HD1 LEU 18 1HD1 LEU 18 -2.453 9.580 1.192
147 2HD1 LEU 18 2HD1 LEU 18 -3.472 8.824 2.413
148 3HD1 LEU 18 3HD1 LEU 18 -3.639 8.363 0.720
149 1HD2 LEU 18 1HD2 LEU 18 -2.439 7.102 -0.326
150 2HD2 LEU 18 2HD2 LEU 18 -1.712 5.768 0.577
151 3HD2 LEU 18 3HD2 LEU 18 -0.703 7.090 -0.017
152 H THR 19 H THR 19 2.053 7.463 1.133
153 HA THR 19 HA THR 19 1.492 5.170 -0.361
154 HB THR 19 HB THR 19 4.090 6.718 -0.177
155 HG1 THR 19 HG1 THR 19 2.822 8.164 -1.043
156 1HG2 THR 19 1HG2 THR 19 4.612 4.699 -1.288
157 2HG2 THR 19 2HG2 THR 19 4.404 5.929 -2.535
158 3HG2 THR 19 3HG2 THR 19 3.123 4.754 -2.232
159 H LEU 20 H LEU 20 3.540 5.701 2.442
160 HA LEU 20 HA LEU 20 5.083 3.362 2.360
161 1HB LEU 20 1HB LEU 20 5.308 5.352 3.934
162 2HB LEU 20 2HB LEU 20 4.015 4.640 4.876
163 HG LEU 20 HG LEU 20 6.230 2.796 4.320
164 1HD1 LEU 20 1HD1 LEU 20 7.761 3.801 5.924
165 2HD1 LEU 20 2HD1 LEU 20 6.698 5.200 6.078
166 3HD1 LEU 20 3HD1 LEU 20 7.504 4.869 4.544
167 1HD2 LEU 20 1HD2 LEU 20 4.391 2.276 5.840
168 2HD2 LEU 20 2HD2 LEU 20 4.824 3.660 6.846
169 3HD2 LEU 20 3HD2 LEU 20 5.935 2.299 6.691
170 H HIS 21 H HIS 21 1.796 3.977 3.444
171 HA HIS 21 HA HIS 21 1.286 1.513 4.707
172 1HB HIS 21 1HB HIS 21 -0.669 2.542 5.131
173 2HB HIS 21 2HB HIS 21 -0.118 3.908 4.203
174 HD1 HIS 21 HD1 HIS 21 -2.022 4.616 2.748
175 HD2 HIS 21 HD2 HIS 21 -1.630 0.501 2.883
176 HE1 HIS 21 HE1 HIS 21 -3.839 3.666 1.272
177 H ILE 22 H ILE 22 0.587 2.666 1.453
178 HA ILE 22 HA ILE 22 -0.689 0.414 0.492
179 HB ILE 22 HB ILE 22 1.007 2.193 -1.249
180 1HG1 ILE 22 1HG1 ILE 22 -1.864 2.784 -0.771
181 2HG1 ILE 22 2HG1 ILE 22 -0.758 3.220 0.511
182 1HG2 ILE 22 1HG2 ILE 22 -1.672 1.231 -2.040
183 2HG2 ILE 22 2HG2 ILE 22 -0.403 0.010 -1.950
184 3HG2 ILE 22 3HG2 ILE 22 -0.204 1.411 -3.002
185 1HD1 ILE 22 1HD1 ILE 22 -0.388 5.094 -0.571
186 2HD1 ILE 22 2HD1 ILE 22 -1.296 4.530 -1.972
187 3HD1 ILE 22 3HD1 ILE 22 0.421 4.156 -1.824
188 H LEU 23 H LEU 23 2.585 0.581 1.373
189 HA LEU 23 HA LEU 23 3.829 -1.079 -0.488
190 1HB LEU 23 1HB LEU 23 4.293 -0.319 2.317
191 2HB LEU 23 2HB LEU 23 4.948 -1.884 1.879
192 HG LEU 23 HG LEU 23 5.991 -0.589 -0.137
193 1HD1 LEU 23 1HD1 LEU 23 5.811 1.671 1.832
194 2HD1 LEU 23 2HD1 LEU 23 4.684 1.495 0.486
195 3HD1 LEU 23 3HD1 LEU 23 6.408 1.702 0.173
196 1HD2 LEU 23 1HD2 LEU 23 7.016 -0.287 2.683
197 2HD2 LEU 23 2HD2 LEU 23 7.976 -0.113 1.213
198 3HD2 LEU 23 3HD2 LEU 23 7.270 -1.675 1.625
199 H LEU 24 H LEU 24 1.635 -1.818 2.185
200 HA LEU 24 HA LEU 24 1.987 -4.592 2.327
201 1HB LEU 24 1HB LEU 24 -0.461 -4.627 3.054
202 2HB LEU 24 2HB LEU 24 0.665 -3.700 4.023
203 HG LEU 24 HG LEU 24 -0.283 -1.801 2.284
204 1HD1 LEU 24 1HD1 LEU 24 -1.959 -3.469 1.464
205 2HD1 LEU 24 2HD1 LEU 24 -2.642 -1.978 2.117
206 3HD1 LEU 24 3HD1 LEU 24 -2.661 -3.457 3.082
207 1HD2 LEU 24 1HD2 LEU 24 0.053 -1.753 4.776
208 2HD2 LEU 24 2HD2 LEU 24 -1.550 -2.472 4.926
209 3HD2 LEU 24 3HD2 LEU 24 -1.362 -0.883 4.184
210 H HIS 25 H HIS 25 -0.081 -2.676 0.175
211 HA HIS 25 HA HIS 25 -1.438 -4.795 -1.066
212 1HB HIS 25 1HB HIS 25 -0.704 -2.057 -2.123
213 2HB HIS 25 2HB HIS 25 -1.786 -3.170 -2.949
214 HD1 HIS 25 HD1 HIS 25 -3.928 -3.931 -1.274
215 HD2 HIS 25 HD2 HIS 25 -1.996 -0.326 -0.557
216 HE1 HIS 25 HE1 HIS 25 -5.516 -2.539 0.119
217 H GLU 26 H GLU 26 1.546 -3.102 -2.030
218 HA GLU 26 HA GLU 26 2.028 -4.579 -4.374
219 1HB GLU 26 1HB GLU 26 3.142 -2.393 -3.451
220 2HB GLU 26 2HB GLU 26 4.277 -3.508 -2.703
221 1HG GLU 26 1HG GLU 26 3.665 -3.447 -5.649
222 2HG GLU 26 2HG GLU 26 5.008 -2.589 -4.896
223 H ASN 27 H ASN 27 3.420 -4.960 -1.108
224 HA ASN 27 HA ASN 27 3.734 -7.824 -1.635
225 1HB ASN 27 1HB ASN 27 5.905 -6.464 -2.026
226 2HB ASN 27 2HB ASN 27 5.942 -6.301 -0.273
227 1HD2 ASN 27 1HD2 ASN 27 6.289 -8.454 -2.963
228 2HD2 ASN 27 2HD2 ASN 27 6.923 -9.793 -2.075
229 H LYS 28 H LYS 28 2.651 -8.854 -0.099
230 HA LYS 28 HA LYS 28 2.201 -7.576 2.482
231 1HB LYS 28 1HB LYS 28 0.719 -9.360 0.827
232 2HB LYS 28 2HB LYS 28 1.024 -10.175 2.354
233 1HG LYS 28 1HG LYS 28 0.173 -8.030 3.459
234 2HG LYS 28 2HG LYS 28 -0.448 -7.614 1.861
235 1HD LYS 28 1HD LYS 28 -1.671 -9.777 1.833
236 2HD LYS 28 2HD LYS 28 -1.132 -10.059 3.489
237 1HE LYS 28 1HE LYS 28 -2.221 -7.497 3.524
238 2HE LYS 28 2HE LYS 28 -3.313 -8.432 2.503
239 1HZ LYS 28 1HZ LYS 28 -3.482 -10.076 4.287
240 2HZ LYS 28 2HZ LYS 28 -3.996 -8.548 4.800
241 3HZ LYS 28 3HZ LYS 28 -2.478 -9.130 5.268
242 H LYS 29 H LYS 29 3.965 -7.777 3.753
243 HA LYS 29 HA LYS 29 4.711 -10.475 4.576
244 1HB LYS 29 1HB LYS 29 6.291 -9.107 2.761
245 2HB LYS 29 2HB LYS 29 7.070 -8.773 4.302
246 1HG LYS 29 1HG LYS 29 6.329 -11.569 3.530
247 2HG LYS 29 2HG LYS 29 7.821 -10.825 2.950
248 1HD LYS 29 1HD LYS 29 8.208 -10.255 5.456
249 2HD LYS 29 2HD LYS 29 7.014 -11.522 5.749
250 1HE LYS 29 1HE LYS 29 9.360 -12.020 3.956
251 2HE LYS 29 2HE LYS 29 9.533 -12.133 5.706
252 1HZ LYS 29 1HZ LYS 29 7.612 -13.683 4.049
253 2HZ LYS 29 2HZ LYS 29 7.763 -13.787 5.731
254 3HZ LYS 29 3HZ LYS 29 9.038 -14.283 4.736
Start of MODEL 21
1 H TYR 1 H TYR 1 -8.554 12.707 6.885
2 HA TYR 1 HA TYR 1 -7.673 11.341 4.950
3 1HB TYR 1 1HB TYR 1 -9.951 10.921 4.276
4 2HB TYR 1 2HB TYR 1 -9.950 11.294 5.995
5 HD1 TYR 1 HD1 TYR 1 -11.519 11.941 2.925
6 HD2 TYR 1 HD2 TYR 1 -10.401 13.850 6.560
7 HE1 TYR 1 HE1 TYR 1 -13.219 13.670 2.532
8 HE2 TYR 1 HE2 TYR 1 -12.099 15.584 6.177
9 HH TYR 1 HH TYR 1 -13.361 16.372 3.521
10 H LYS 2 H LYS 2 -6.374 13.673 4.248
11 HA LYS 2 HA LYS 2 -7.404 15.108 2.092
12 1HB LYS 2 1HB LYS 2 -4.623 14.468 3.005
13 2HB LYS 2 2HB LYS 2 -4.870 15.309 1.481
14 1HG LYS 2 1HG LYS 2 -6.187 17.024 2.722
15 2HG LYS 2 2HG LYS 2 -5.712 16.221 4.220
16 1HD LYS 2 1HD LYS 2 -3.408 16.691 3.833
17 2HD LYS 2 2HD LYS 2 -3.733 17.238 2.188
18 1HE LYS 2 1HE LYS 2 -5.044 18.609 4.498
19 2HE LYS 2 2HE LYS 2 -3.367 18.976 4.103
20 1HZ LYS 2 1HZ LYS 2 -4.883 20.506 3.018
21 2HZ LYS 2 2HZ LYS 2 -5.674 19.226 2.248
22 3HZ LYS 2 3HZ LYS 2 -4.065 19.577 1.866
23 H PHE 3 H PHE 3 -5.315 12.206 2.018
24 HA PHE 3 HA PHE 3 -5.949 11.889 -0.827
25 1HB PHE 3 1HB PHE 3 -3.670 11.126 0.907
26 2HB PHE 3 2HB PHE 3 -4.099 9.995 -0.362
27 HD1 PHE 3 HD1 PHE 3 -4.076 10.751 -2.743
28 HD2 PHE 3 HD2 PHE 3 -2.548 13.141 0.431
29 HE1 PHE 3 HE1 PHE 3 -2.829 12.110 -4.370
30 HE2 PHE 3 HE2 PHE 3 -1.299 14.503 -1.192
31 HZ PHE 3 HZ PHE 3 -1.438 13.989 -3.597
32 H ALA 4 H ALA 4 -6.020 9.496 -1.521
33 HA ALA 4 HA ALA 4 -7.282 7.719 0.402
34 1HB ALA 4 1HB ALA 4 -8.736 8.664 -2.067
35 2HB ALA 4 2HB ALA 4 -9.181 8.997 -0.394
36 3HB ALA 4 3HB ALA 4 -9.263 7.350 -1.015
37 H CYS 5 H CYS 5 -6.971 5.579 -0.076
38 HA CYS 5 HA CYS 5 -5.084 4.955 -2.144
39 1HB CYS 5 1HB CYS 5 -5.361 3.855 0.204
40 2HB CYS 5 2HB CYS 5 -6.579 2.867 -0.589
41 HG CYS 5 HG CYS 5 -4.820 1.561 -1.703
42 HA PRO 6 HA PRO 6 -8.041 3.908 -5.293
43 1HB PRO 6 1HB PRO 6 -6.384 2.682 -7.029
44 2HB PRO 6 2HB PRO 6 -6.334 4.429 -6.761
45 1HG PRO 6 1HG PRO 6 -4.562 2.289 -5.648
46 2HG PRO 6 2HG PRO 6 -4.123 3.883 -6.286
47 1HD PRO 6 1HD PRO 6 -4.345 3.335 -3.621
48 2HD PRO 6 2HD PRO 6 -4.622 4.946 -4.317
49 H GLU 7 H GLU 7 -6.163 1.561 -3.547
50 HA GLU 7 HA GLU 7 -7.697 -0.670 -4.645
51 1HB GLU 7 1HB GLU 7 -5.103 -0.373 -3.225
52 2HB GLU 7 2HB GLU 7 -6.000 -1.856 -2.946
53 1HG GLU 7 1HG GLU 7 -4.497 -2.285 -4.714
54 2HG GLU 7 2HG GLU 7 -6.100 -2.151 -5.434
55 H CYS 8 H CYS 8 -6.821 0.764 -1.493
56 HA CYS 8 HA CYS 8 -9.148 -0.609 -0.310
57 1HB CYS 8 1HB CYS 8 -8.010 -0.611 1.793
58 2HB CYS 8 2HB CYS 8 -6.894 -1.227 0.586
59 HG CYS 8 HG CYS 8 -5.398 0.714 0.933
60 HA PRO 9 HA PRO 9 -10.759 3.332 0.882
61 1HB PRO 9 1HB PRO 9 -12.185 2.733 3.057
62 2HB PRO 9 2HB PRO 9 -12.556 2.004 1.491
63 1HG PRO 9 1HG PRO 9 -11.189 0.822 3.853
64 2HG PRO 9 2HG PRO 9 -12.250 0.050 2.665
65 1HD PRO 9 1HD PRO 9 -9.423 0.005 2.694
66 2HD PRO 9 2HD PRO 9 -10.474 -0.547 1.381
67 H LYS 10 H LYS 10 -7.992 3.100 1.839
68 HA LYS 10 HA LYS 10 -8.051 4.137 4.549
69 1HB LYS 10 1HB LYS 10 -5.714 3.673 2.686
70 2HB LYS 10 2HB LYS 10 -5.583 4.197 4.340
71 1HG LYS 10 1HG LYS 10 -6.974 1.644 3.651
72 2HG LYS 10 2HG LYS 10 -5.220 1.721 3.828
73 1HD LYS 10 1HD LYS 10 -5.663 1.275 5.990
74 2HD LYS 10 2HD LYS 10 -6.015 3.002 6.080
75 1HE LYS 10 1HE LYS 10 -7.840 1.883 7.098
76 2HE LYS 10 2HE LYS 10 -8.403 2.432 5.522
77 1HZ LYS 10 1HZ LYS 10 -9.039 0.113 6.126
78 2HZ LYS 10 2HZ LYS 10 -7.406 -0.317 6.027
79 3HZ LYS 10 3HZ LYS 10 -8.215 0.249 4.653
80 H ARG 11 H ARG 11 -6.996 6.143 5.111
81 HA ARG 11 HA ARG 11 -6.795 8.160 3.013
82 1HB ARG 11 1HB ARG 11 -8.285 9.717 4.158
83 2HB ARG 11 2HB ARG 11 -9.146 8.247 3.727
84 1HG ARG 11 1HG ARG 11 -8.467 7.553 6.187
85 2HG ARG 11 2HG ARG 11 -8.406 9.303 6.401
86 1HD ARG 11 1HD ARG 11 -10.742 9.172 5.166
87 2HD ARG 11 2HD ARG 11 -10.724 7.532 5.814
88 HE ARG 11 HE ARG 11 -10.073 9.281 7.889
89 1HH1 ARG 11 1HH1 ARG 11 -12.817 8.543 5.846
90 2HH1 ARG 11 2HH1 ARG 11 -13.985 9.023 7.030
91 1HH2 ARG 11 1HH2 ARG 11 -11.613 9.907 9.448
92 2HH2 ARG 11 2HH2 ARG 11 -13.301 9.798 9.076
93 H PHE 12 H PHE 12 -5.169 9.570 3.390
94 HA PHE 12 HA PHE 12 -4.147 9.824 6.133
95 1HB PHE 12 1HB PHE 12 -2.336 9.450 3.776
96 2HB PHE 12 2HB PHE 12 -1.883 9.472 5.466
97 HD1 PHE 12 HD1 PHE 12 -4.256 7.583 3.284
98 HD2 PHE 12 HD2 PHE 12 -1.302 7.427 6.342
99 HE1 PHE 12 HE1 PHE 12 -4.441 5.145 3.326
100 HE2 PHE 12 HE2 PHE 12 -1.488 4.971 6.390
101 HZ PHE 12 HZ PHE 12 -3.059 3.829 4.866
102 H MET 13 H MET 13 -3.129 11.746 6.639
103 HA MET 13 HA MET 13 -3.854 14.001 4.998
104 1HB MET 13 1HB MET 13 -2.424 13.759 7.646
105 2HB MET 13 2HB MET 13 -2.704 15.302 6.851
106 1HG MET 13 1HG MET 13 -5.109 14.928 6.949
107 2HG MET 13 2HG MET 13 -4.839 13.367 7.722
108 1HE MET 13 1HE MET 13 -6.134 15.024 10.884
109 2HE MET 13 2HE MET 13 -6.015 13.540 9.937
110 3HE MET 13 3HE MET 13 -6.810 14.959 9.256
111 H ARG 14 H ARG 14 -1.056 12.027 5.467
112 HA ARG 14 HA ARG 14 0.697 13.982 4.163
113 1HB ARG 14 1HB ARG 14 1.307 11.351 5.529
114 2HB ARG 14 2HB ARG 14 2.511 12.360 4.742
115 1HG ARG 14 1HG ARG 14 2.774 13.031 6.902
116 2HG ARG 14 2HG ARG 14 1.566 14.198 6.364
117 1HD ARG 14 1HD ARG 14 0.354 13.539 8.119
118 2HD ARG 14 2HD ARG 14 0.043 12.061 7.207
119 HE ARG 14 HE ARG 14 1.408 10.923 8.646
120 1HH1 ARG 14 1HH1 ARG 14 1.955 14.355 9.090
121 2HH1 ARG 14 2HH1 ARG 14 2.949 14.139 10.489
122 1HH2 ARG 14 1HH2 ARG 14 2.718 10.647 10.492
123 2HH2 ARG 14 2HH2 ARG 14 3.383 12.036 11.285
124 H SER 15 H SER 15 2.040 13.289 2.368
125 HA SER 15 HA SER 15 0.571 11.525 0.567
126 1HB SER 15 1HB SER 15 1.286 12.800 -1.101
127 2HB SER 15 2HB SER 15 1.728 13.957 0.150
128 HG SER 15 HG SER 15 3.805 13.438 -0.075
129 H ASP 16 H ASP 16 3.849 11.897 1.893
130 HA ASP 16 HA ASP 16 4.917 9.625 0.582
131 1HB ASP 16 1HB ASP 16 5.911 10.999 3.051
132 2HB ASP 16 2HB ASP 16 6.837 9.929 2.022
133 H HIS 17 H HIS 17 3.777 10.173 3.908
134 HA HIS 17 HA HIS 17 4.279 7.584 4.877
135 1HB HIS 17 1HB HIS 17 2.449 9.805 5.704
136 2HB HIS 17 2HB HIS 17 2.271 8.223 6.448
137 HD1 HIS 17 HD1 HIS 17 2.972 9.453 8.685
138 HD2 HIS 17 HD2 HIS 17 5.924 9.219 5.775
139 HE1 HIS 17 HE1 HIS 17 5.118 9.996 9.862
140 HE2 HIS 17 HE2 HIS 17 6.880 9.941 8.066
141 H LEU 18 H LEU 18 1.431 8.971 3.278
142 HA LEU 18 HA LEU 18 -0.293 6.788 3.553
143 1HB LEU 18 1HB LEU 18 -0.893 9.063 2.737
144 2HB LEU 18 2HB LEU 18 -0.121 8.686 1.217
145 HG LEU 18 HG LEU 18 -2.322 6.945 2.247
146 1HD1 LEU 18 1HD1 LEU 18 -2.548 9.649 1.007
147 2HD1 LEU 18 2HD1 LEU 18 -3.428 8.976 2.376
148 3HD1 LEU 18 3HD1 LEU 18 -3.792 8.427 0.740
149 1HD2 LEU 18 1HD2 LEU 18 -2.562 7.214 -0.458
150 2HD2 LEU 18 2HD2 LEU 18 -1.724 5.901 0.375
151 3HD2 LEU 18 3HD2 LEU 18 -0.816 7.291 -0.222
152 H THR 19 H THR 19 1.971 7.618 0.926
153 HA THR 19 HA THR 19 1.431 5.369 -0.648
154 HB THR 19 HB THR 19 4.031 6.915 -0.466
155 HG1 THR 19 HG1 THR 19 2.760 8.444 -1.165
156 1HG2 THR 19 1HG2 THR 19 4.444 4.964 -1.745
157 2HG2 THR 19 2HG2 THR 19 4.235 6.299 -2.877
158 3HG2 THR 19 3HG2 THR 19 2.926 5.145 -2.627
159 H LEU 20 H LEU 20 3.508 5.860 2.133
160 HA LEU 20 HA LEU 20 5.107 3.562 1.977
161 1HB LEU 20 1HB LEU 20 5.066 5.614 3.644
162 2HB LEU 20 2HB LEU 20 4.067 4.548 4.607
163 HG LEU 20 HG LEU 20 6.270 4.328 5.423
164 1HD1 LEU 20 1HD1 LEU 20 6.718 2.024 5.192
165 2HD1 LEU 20 2HD1 LEU 20 5.978 1.965 3.592
166 3HD1 LEU 20 3HD1 LEU 20 4.972 2.206 5.022
167 1HD2 LEU 20 1HD2 LEU 20 7.429 5.329 3.513
168 2HD2 LEU 20 2HD2 LEU 20 7.179 3.847 2.589
169 3HD2 LEU 20 3HD2 LEU 20 8.199 3.828 4.028
170 H HIS 21 H HIS 21 1.885 4.117 3.299
171 HA HIS 21 HA HIS 21 1.375 1.643 4.464
172 1HB HIS 21 1HB HIS 21 -0.574 2.666 4.885
173 2HB HIS 21 2HB HIS 21 -0.072 4.009 3.897
174 HD1 HIS 21 HD1 HIS 21 -2.063 4.611 2.512
175 HD2 HIS 21 HD2 HIS 21 -1.475 0.515 2.687
176 HE1 HIS 21 HE1 HIS 21 -3.879 3.559 1.109
177 H ILE 22 H ILE 22 0.756 2.752 1.178
178 HA ILE 22 HA ILE 22 -0.477 0.414 0.264
179 HB ILE 22 HB ILE 22 1.036 2.278 -1.550
180 1HG1 ILE 22 1HG1 ILE 22 -1.818 2.797 -0.938
181 2HG1 ILE 22 2HG1 ILE 22 -0.679 3.243 0.312
182 1HG2 ILE 22 1HG2 ILE 22 -0.176 1.381 -3.223
183 2HG2 ILE 22 2HG2 ILE 22 -1.641 1.297 -2.241
184 3HG2 ILE 22 3HG2 ILE 22 -0.413 0.038 -2.104
185 1HD1 ILE 22 1HD1 ILE 22 -1.308 4.541 -2.173
186 2HD1 ILE 22 2HD1 ILE 22 0.424 4.253 -2.006
187 3HD1 ILE 22 3HD1 ILE 22 -0.448 5.149 -0.761
188 H LEU 23 H LEU 23 2.672 0.600 1.257
189 HA LEU 23 HA LEU 23 3.957 -0.956 -0.753
190 1HB LEU 23 1HB LEU 23 4.845 0.483 1.367
191 2HB LEU 23 2HB LEU 23 4.961 -1.146 1.995
192 HG LEU 23 HG LEU 23 6.306 -1.722 -0.079
193 1HD1 LEU 23 1HD1 LEU 23 7.386 0.134 -1.234
194 2HD1 LEU 23 2HD1 LEU 23 6.432 1.284 -0.295
195 3HD1 LEU 23 3HD1 LEU 23 5.635 0.197 -1.433
196 1HD2 LEU 23 1HD2 LEU 23 7.491 0.349 1.765
197 2HD2 LEU 23 2HD2 LEU 23 8.359 -0.898 0.869
198 3HD2 LEU 23 3HD2 LEU 23 7.267 -1.352 2.177
199 H LEU 24 H LEU 24 2.102 -1.675 2.158
200 HA LEU 24 HA LEU 24 2.775 -4.453 2.219
201 1HB LEU 24 1HB LEU 24 0.535 -4.521 3.612
202 2HB LEU 24 2HB LEU 24 2.043 -3.941 4.283
203 HG LEU 24 HG LEU 24 1.245 -1.603 3.717
204 1HD1 LEU 24 1HD1 LEU 24 -1.357 -3.083 3.339
205 2HD1 LEU 24 2HD1 LEU 24 -0.501 -2.134 2.125
206 3HD1 LEU 24 3HD1 LEU 24 -1.209 -1.335 3.527
207 1HD2 LEU 24 1HD2 LEU 24 0.360 -1.399 5.805
208 2HD2 LEU 24 2HD2 LEU 24 1.110 -2.990 5.935
209 3HD2 LEU 24 3HD2 LEU 24 -0.625 -2.854 5.649
210 H HIS 25 H HIS 25 0.512 -2.606 0.376
211 HA HIS 25 HA HIS 25 -1.511 -4.427 -0.136
212 1HB HIS 25 1HB HIS 25 -0.374 -2.096 -1.544
213 2HB HIS 25 2HB HIS 25 -1.254 -3.227 -2.565
214 HD1 HIS 25 HD1 HIS 25 -3.724 -3.919 -1.191
215 HD2 HIS 25 HD2 HIS 25 -2.013 -0.164 -0.715
216 HE1 HIS 25 HE1 HIS 25 -5.573 -2.391 -0.393
217 H GLU 26 H GLU 26 1.724 -4.252 -1.540
218 HA GLU 26 HA GLU 26 1.427 -6.039 -3.655
219 1HB GLU 26 1HB GLU 26 3.435 -4.778 -3.522
220 2HB GLU 26 2HB GLU 26 3.786 -5.363 -1.904
221 1HG GLU 26 1HG GLU 26 3.626 -7.389 -4.053
222 2HG GLU 26 2HG GLU 26 5.002 -6.288 -4.085
223 H ASN 27 H ASN 27 2.331 -6.695 -0.271
224 HA ASN 27 HA ASN 27 2.507 -9.521 -0.644
225 1HB ASN 27 1HB ASN 27 2.793 -7.625 1.587
226 2HB ASN 27 2HB ASN 27 2.151 -9.196 2.055
227 1HD2 ASN 27 1HD2 ASN 27 3.436 -11.018 1.869
228 2HD2 ASN 27 2HD2 ASN 27 5.140 -10.926 1.599
229 H LYS 28 H LYS 28 1.083 -11.138 0.016
230 HA LYS 28 HA LYS 28 -1.703 -10.465 -0.209
231 1HB LYS 28 1HB LYS 28 -0.274 -13.085 0.248
232 2HB LYS 28 2HB LYS 28 -2.021 -12.950 0.111
233 1HG LYS 28 1HG LYS 28 -1.956 -12.748 -2.116
234 2HG LYS 28 2HG LYS 28 -0.547 -11.687 -2.080
235 1HD LYS 28 1HD LYS 28 0.170 -14.353 -1.255
236 2HD LYS 28 2HD LYS 28 -0.629 -14.385 -2.828
237 1HE LYS 28 1HE LYS 28 1.472 -12.331 -2.360
238 2HE LYS 28 2HE LYS 28 1.982 -14.003 -2.590
239 1HZ LYS 28 1HZ LYS 28 0.780 -14.037 -4.691
240 2HZ LYS 28 2HZ LYS 28 1.939 -12.805 -4.682
241 3HZ LYS 28 3HZ LYS 28 0.303 -12.429 -4.470
242 H LYS 29 H LYS 29 -3.318 -10.695 1.326
243 HA LYS 29 HA LYS 29 -2.512 -11.295 4.080
244 1HB LYS 29 1HB LYS 29 -3.788 -9.331 4.906
245 2HB LYS 29 2HB LYS 29 -2.372 -8.892 3.962
246 1HG LYS 29 1HG LYS 29 -3.746 -7.508 2.884
247 2HG LYS 29 2HG LYS 29 -4.330 -8.952 2.055
248 1HD LYS 29 1HD LYS 29 -5.848 -9.080 4.257
249 2HD LYS 29 2HD LYS 29 -5.601 -7.334 4.187
250 1HE LYS 29 1HE LYS 29 -6.413 -7.332 1.866
251 2HE LYS 29 2HE LYS 29 -6.695 -9.069 1.974
252 1HZ LYS 29 1HZ LYS 29 -8.295 -8.659 3.742
253 2HZ LYS 29 2HZ LYS 29 -8.729 -7.823 2.337
254 3HZ LYS 29 3HZ LYS 29 -8.025 -6.992 3.631
Start of MODEL 22
1 H TYR 1 H TYR 1 -8.382 14.714 6.122
2 HA TYR 1 HA TYR 1 -6.571 12.636 5.087
3 1HB TYR 1 1HB TYR 1 -9.566 12.773 5.525
4 2HB TYR 1 2HB TYR 1 -8.741 11.453 4.708
5 HD1 TYR 1 HD1 TYR 1 -10.388 11.963 7.527
6 HD2 TYR 1 HD2 TYR 1 -6.424 10.936 6.373
7 HE1 TYR 1 HE1 TYR 1 -10.053 10.846 9.691
8 HE2 TYR 1 HE2 TYR 1 -6.078 9.816 8.534
9 HH TYR 1 HH TYR 1 -7.561 10.280 11.105
10 H LYS 2 H LYS 2 -5.769 13.873 3.368
11 HA LYS 2 HA LYS 2 -7.690 15.028 1.494
12 1HB LYS 2 1HB LYS 2 -5.484 16.148 2.300
13 2HB LYS 2 2HB LYS 2 -4.711 15.087 1.132
14 1HG LYS 2 1HG LYS 2 -5.017 16.972 -0.125
15 2HG LYS 2 2HG LYS 2 -6.490 16.077 -0.507
16 1HD LYS 2 1HD LYS 2 -7.622 17.362 1.338
17 2HD LYS 2 2HD LYS 2 -6.171 18.362 1.435
18 1HE LYS 2 1HE LYS 2 -7.548 17.970 -1.192
19 2HE LYS 2 2HE LYS 2 -8.186 19.130 -0.029
20 1HZ LYS 2 1HZ LYS 2 -5.432 19.132 -1.146
21 2HZ LYS 2 2HZ LYS 2 -6.033 20.240 -0.018
22 3HZ LYS 2 3HZ LYS 2 -6.678 20.190 -1.581
23 H PHE 3 H PHE 3 -5.161 12.539 1.610
24 HA PHE 3 HA PHE 3 -5.714 11.738 -1.127
25 1HB PHE 3 1HB PHE 3 -3.600 11.210 0.869
26 2HB PHE 3 2HB PHE 3 -3.976 9.884 -0.215
27 HD1 PHE 3 HD1 PHE 3 -3.525 10.041 -2.589
28 HD2 PHE 3 HD2 PHE 3 -2.610 13.255 0.047
29 HE1 PHE 3 HE1 PHE 3 -2.115 11.061 -4.328
30 HE2 PHE 3 HE2 PHE 3 -1.199 14.281 -1.686
31 HZ PHE 3 HZ PHE 3 -0.950 13.184 -3.877
32 H ALA 4 H ALA 4 -5.922 9.381 -1.590
33 HA ALA 4 HA ALA 4 -7.208 7.740 0.420
34 1HB ALA 4 1HB ALA 4 -9.095 9.057 -0.350
35 2HB ALA 4 2HB ALA 4 -9.254 7.390 -0.906
36 3HB ALA 4 3HB ALA 4 -8.727 8.645 -2.026
37 H CYS 5 H CYS 5 -6.816 5.609 0.047
38 HA CYS 5 HA CYS 5 -5.045 4.870 -2.040
39 1HB CYS 5 1HB CYS 5 -5.387 3.797 0.311
40 2HB CYS 5 2HB CYS 5 -6.633 2.854 -0.490
41 HG CYS 5 HG CYS 5 -4.798 1.350 -1.084
42 HA PRO 6 HA PRO 6 -8.009 3.925 -5.212
43 1HB PRO 6 1HB PRO 6 -6.368 2.674 -6.941
44 2HB PRO 6 2HB PRO 6 -6.282 4.417 -6.662
45 1HG PRO 6 1HG PRO 6 -4.562 2.235 -5.550
46 2HG PRO 6 2HG PRO 6 -4.086 3.823 -6.178
47 1HD PRO 6 1HD PRO 6 -4.339 3.265 -3.516
48 2HD PRO 6 2HD PRO 6 -4.576 4.885 -4.205
49 H GLU 7 H GLU 7 -6.174 1.520 -3.487
50 HA GLU 7 HA GLU 7 -7.785 -0.659 -4.594
51 1HB GLU 7 1HB GLU 7 -5.126 -0.558 -4.050
52 2HB GLU 7 2HB GLU 7 -5.733 -1.266 -2.560
53 1HG GLU 7 1HG GLU 7 -6.557 -2.378 -5.208
54 2HG GLU 7 2HG GLU 7 -5.001 -2.804 -4.500
55 H CYS 8 H CYS 8 -6.844 0.712 -1.431
56 HA CYS 8 HA CYS 8 -9.193 -0.626 -0.248
57 1HB CYS 8 1HB CYS 8 -8.057 -0.664 1.846
58 2HB CYS 8 2HB CYS 8 -6.929 -1.256 0.641
59 HG CYS 8 HG CYS 8 -5.407 0.599 1.146
60 HA PRO 9 HA PRO 9 -10.765 3.326 0.954
61 1HB PRO 9 1HB PRO 9 -12.196 2.732 3.125
62 2HB PRO 9 2HB PRO 9 -12.568 2.005 1.558
63 1HG PRO 9 1HG PRO 9 -11.209 0.815 3.922
64 2HG PRO 9 2HG PRO 9 -12.273 0.048 2.732
65 1HD PRO 9 1HD PRO 9 -9.446 -0.008 2.762
66 2HD PRO 9 2HD PRO 9 -10.502 -0.556 1.450
67 H LYS 10 H LYS 10 -7.991 3.038 1.947
68 HA LYS 10 HA LYS 10 -8.066 4.092 4.645
69 1HB LYS 10 1HB LYS 10 -5.705 3.639 2.811
70 2HB LYS 10 2HB LYS 10 -5.607 4.128 4.479
71 1HG LYS 10 1HG LYS 10 -7.020 1.606 3.746
72 2HG LYS 10 2HG LYS 10 -5.261 1.650 3.880
73 1HD LYS 10 1HD LYS 10 -5.361 2.274 6.165
74 2HD LYS 10 2HD LYS 10 -7.087 2.623 6.066
75 1HE LYS 10 1HE LYS 10 -5.935 -0.120 5.606
76 2HE LYS 10 2HE LYS 10 -6.451 0.450 7.193
77 1HZ LYS 10 1HZ LYS 10 -8.238 -0.757 6.238
78 2HZ LYS 10 2HZ LYS 10 -8.137 0.091 4.778
79 3HZ LYS 10 3HZ LYS 10 -8.670 0.878 6.177
80 H ARG 11 H ARG 11 -7.045 6.093 5.225
81 HA ARG 11 HA ARG 11 -6.794 8.107 3.128
82 1HB ARG 11 1HB ARG 11 -8.267 9.683 4.364
83 2HB ARG 11 2HB ARG 11 -9.127 8.295 3.719
84 1HG ARG 11 1HG ARG 11 -8.160 7.984 6.475
85 2HG ARG 11 2HG ARG 11 -9.388 9.227 6.242
86 1HD ARG 11 1HD ARG 11 -11.006 7.727 5.741
87 2HD ARG 11 2HD ARG 11 -9.891 6.642 4.910
88 HE ARG 11 HE ARG 11 -9.656 5.473 6.854
89 1HH1 ARG 11 1HH1 ARG 11 -10.937 8.637 7.647
90 2HH1 ARG 11 2HH1 ARG 11 -11.180 8.253 9.317
91 1HH2 ARG 11 1HH2 ARG 11 -9.981 4.977 9.055
92 2HH2 ARG 11 2HH2 ARG 11 -10.639 6.177 10.116
93 H PHE 12 H PHE 12 -5.170 9.502 3.522
94 HA PHE 12 HA PHE 12 -4.190 9.776 6.280
95 1HB PHE 12 1HB PHE 12 -2.345 9.406 3.947
96 2HB PHE 12 2HB PHE 12 -1.916 9.424 5.641
97 HD1 PHE 12 HD1 PHE 12 -4.290 7.531 3.458
98 HD2 PHE 12 HD2 PHE 12 -1.304 7.376 6.487
99 HE1 PHE 12 HE1 PHE 12 -4.463 5.094 3.490
100 HE2 PHE 12 HE2 PHE 12 -1.480 4.919 6.525
101 HZ PHE 12 HZ PHE 12 -3.062 3.777 5.011
102 H MET 13 H MET 13 -3.059 11.695 6.743
103 HA MET 13 HA MET 13 -3.866 13.943 5.117
104 1HB MET 13 1HB MET 13 -2.264 13.822 7.680
105 2HB MET 13 2HB MET 13 -2.821 15.303 6.911
106 1HG MET 13 1HG MET 13 -5.155 14.019 7.110
107 2HG MET 13 2HG MET 13 -4.313 13.295 8.478
108 1HE MET 13 1HE MET 13 -6.663 14.276 9.039
109 2HE MET 13 2HE MET 13 -7.012 15.987 9.289
110 3HE MET 13 3HE MET 13 -6.225 15.052 10.561
111 H ARG 14 H ARG 14 -1.036 11.997 5.509
112 HA ARG 14 HA ARG 14 0.656 13.976 4.159
113 1HB ARG 14 1HB ARG 14 1.380 11.327 5.430
114 2HB ARG 14 2HB ARG 14 2.520 12.454 4.713
115 1HG ARG 14 1HG ARG 14 2.733 12.968 6.929
116 2HG ARG 14 2HG ARG 14 1.499 14.130 6.441
117 1HD ARG 14 1HD ARG 14 0.122 13.296 7.971
118 2HD ARG 14 2HD ARG 14 0.172 11.733 7.152
119 HE ARG 14 HE ARG 14 2.402 12.230 8.915
120 1HH1 ARG 14 1HH1 ARG 14 -0.847 10.948 8.662
121 2HH1 ARG 14 2HH1 ARG 14 -0.683 9.926 10.049
122 1HH2 ARG 14 1HH2 ARG 14 2.610 10.879 10.744
123 2HH2 ARG 14 2HH2 ARG 14 1.277 9.887 11.231
124 H SER 15 H SER 15 2.004 13.251 2.354
125 HA SER 15 HA SER 15 0.489 11.495 0.580
126 1HB SER 15 1HB SER 15 0.906 13.199 -0.776
127 2HB SER 15 2HB SER 15 2.225 13.814 0.216
128 HG SER 15 HG SER 15 3.619 12.766 -0.992
129 H ASP 16 H ASP 16 3.828 11.931 1.741
130 HA ASP 16 HA ASP 16 4.845 9.604 0.473
131 1HB ASP 16 1HB ASP 16 6.047 11.718 1.558
132 2HB ASP 16 2HB ASP 16 6.144 10.632 2.938
133 H HIS 17 H HIS 17 3.854 10.262 3.834
134 HA HIS 17 HA HIS 17 4.397 7.713 4.871
135 1HB HIS 17 1HB HIS 17 2.483 9.887 5.688
136 2HB HIS 17 2HB HIS 17 2.538 8.353 6.546
137 HD1 HIS 17 HD1 HIS 17 3.247 10.001 8.568
138 HD2 HIS 17 HD2 HIS 17 6.039 9.467 5.540
139 HE1 HIS 17 HE1 HIS 17 5.430 10.781 9.526
140 HE2 HIS 17 HE2 HIS 17 7.091 10.535 7.647
141 H LEU 18 H LEU 18 1.470 9.026 3.350
142 HA LEU 18 HA LEU 18 -0.231 6.849 3.762
143 1HB LEU 18 1HB LEU 18 -0.891 9.075 2.901
144 2HB LEU 18 2HB LEU 18 -0.137 8.689 1.376
145 HG LEU 18 HG LEU 18 -2.285 6.918 2.454
146 1HD1 LEU 18 1HD1 LEU 18 -3.804 8.385 0.958
147 2HD1 LEU 18 2HD1 LEU 18 -2.587 9.630 1.258
148 3HD1 LEU 18 3HD1 LEU 18 -3.453 8.901 2.607
149 1HD2 LEU 18 1HD2 LEU 18 -1.781 5.886 0.556
150 2HD2 LEU 18 2HD2 LEU 18 -0.812 7.245 -0.019
151 3HD2 LEU 18 3HD2 LEU 18 -2.558 7.241 -0.269
152 H THR 19 H THR 19 1.988 7.567 1.078
153 HA THR 19 HA THR 19 1.377 5.303 -0.443
154 HB THR 19 HB THR 19 4.000 6.815 -0.337
155 HG1 THR 19 HG1 THR 19 2.736 8.340 -1.058
156 1HG2 THR 19 1HG2 THR 19 4.148 6.134 -2.745
157 2HG2 THR 19 2HG2 THR 19 2.850 4.985 -2.422
158 3HG2 THR 19 3HG2 THR 19 4.388 4.837 -1.573
159 H LEU 20 H LEU 20 3.534 5.799 2.285
160 HA LEU 20 HA LEU 20 5.080 3.467 2.106
161 1HB LEU 20 1HB LEU 20 5.361 5.426 3.705
162 2HB LEU 20 2HB LEU 20 4.098 4.702 4.678
163 HG LEU 20 HG LEU 20 5.548 2.633 4.830
164 1HD1 LEU 20 1HD1 LEU 20 7.969 3.000 4.435
165 2HD1 LEU 20 2HD1 LEU 20 7.572 4.523 3.639
166 3HD1 LEU 20 3HD1 LEU 20 7.007 2.999 2.957
167 1HD2 LEU 20 1HD2 LEU 20 6.656 5.193 5.975
168 2HD2 LEU 20 2HD2 LEU 20 6.954 3.565 6.584
169 3HD2 LEU 20 3HD2 LEU 20 5.330 4.249 6.656
170 H HIS 21 H HIS 21 1.829 4.050 3.284
171 HA HIS 21 HA HIS 21 1.356 1.580 4.545
172 1HB HIS 21 1HB HIS 21 -0.586 2.608 5.005
173 2HB HIS 21 2HB HIS 21 -0.086 3.959 4.028
174 HD1 HIS 21 HD1 HIS 21 -2.073 4.595 2.653
175 HD2 HIS 21 HD2 HIS 21 -1.547 0.490 2.806
176 HE1 HIS 21 HE1 HIS 21 -3.909 3.581 1.250
177 H ILE 22 H ILE 22 0.688 2.728 1.285
178 HA ILE 22 HA ILE 22 -0.555 0.398 0.364
179 HB ILE 22 HB ILE 22 0.942 2.275 -1.450
180 1HG1 ILE 22 1HG1 ILE 22 -1.903 2.804 -0.815
181 2HG1 ILE 22 2HG1 ILE 22 -0.761 3.219 0.443
182 1HG2 ILE 22 1HG2 ILE 22 -1.748 1.287 -2.103
183 2HG2 ILE 22 2HG2 ILE 22 -0.498 0.045 -2.020
184 3HG2 ILE 22 3HG2 ILE 22 -0.310 1.413 -3.117
185 1HD1 ILE 22 1HD1 ILE 22 0.374 4.271 -1.825
186 2HD1 ILE 22 2HD1 ILE 22 -0.546 5.147 -0.603
187 3HD1 ILE 22 3HD1 ILE 22 -1.352 4.546 -2.049
188 H LEU 23 H LEU 23 2.638 0.642 1.279
189 HA LEU 23 HA LEU 23 3.914 -0.882 -0.741
190 1HB LEU 23 1HB LEU 23 4.703 0.405 1.599
191 2HB LEU 23 2HB LEU 23 5.015 -1.290 1.901
192 HG LEU 23 HG LEU 23 5.998 -0.668 -0.700
193 1HD1 LEU 23 1HD1 LEU 23 7.690 1.001 -0.137
194 2HD1 LEU 23 2HD1 LEU 23 6.968 1.198 1.460
195 3HD1 LEU 23 3HD1 LEU 23 6.060 1.658 0.019
196 1HD2 LEU 23 1HD2 LEU 23 8.085 -1.455 0.227
197 2HD2 LEU 23 2HD2 LEU 23 6.762 -2.463 0.815
198 3HD2 LEU 23 3HD2 LEU 23 7.475 -1.240 1.867
199 H LEU 24 H LEU 24 2.036 -1.710 2.129
200 HA LEU 24 HA LEU 24 2.728 -4.480 2.119
201 1HB LEU 24 1HB LEU 24 0.442 -4.612 3.434
202 2HB LEU 24 2HB LEU 24 1.923 -4.044 4.170
203 HG LEU 24 HG LEU 24 1.143 -1.700 3.676
204 1HD1 LEU 24 1HD1 LEU 24 -1.395 -3.184 3.008
205 2HD1 LEU 24 2HD1 LEU 24 -0.501 -2.064 1.978
206 3HD1 LEU 24 3HD1 LEU 24 -1.342 -1.465 3.408
207 1HD2 LEU 24 1HD2 LEU 24 -0.848 -3.003 5.439
208 2HD2 LEU 24 2HD2 LEU 24 0.157 -1.582 5.719
209 3HD2 LEU 24 3HD2 LEU 24 0.863 -3.195 5.817
210 H HIS 25 H HIS 25 0.503 -2.615 0.251
211 HA HIS 25 HA HIS 25 -1.441 -4.523 -0.362
212 1HB HIS 25 1HB HIS 25 -0.441 -2.045 -1.654
213 2HB HIS 25 2HB HIS 25 -1.372 -3.145 -2.663
214 HD1 HIS 25 HD1 HIS 25 -3.739 -3.939 -1.218
215 HD2 HIS 25 HD2 HIS 25 -2.027 -0.216 -0.543
216 HE1 HIS 25 HE1 HIS 25 -5.550 -2.498 -0.195
217 H GLU 26 H GLU 26 1.848 -4.236 -1.498
218 HA GLU 26 HA GLU 26 1.788 -5.599 -3.895
219 1HB GLU 26 1HB GLU 26 3.801 -4.532 -2.929
220 2HB GLU 26 2HB GLU 26 3.912 -5.832 -1.752
221 1HG GLU 26 1HG GLU 26 5.483 -6.165 -3.565
222 2HG GLU 26 2HG GLU 26 4.266 -7.441 -3.550
223 H ASN 27 H ASN 27 1.975 -6.976 -0.617
224 HA ASN 27 HA ASN 27 1.375 -9.621 -1.774
225 1HB ASN 27 1HB ASN 27 3.066 -8.775 0.540
226 2HB ASN 27 2HB ASN 27 2.254 -10.335 0.623
227 1HD2 ASN 27 1HD2 ASN 27 4.430 -8.382 -1.355
228 2HD2 ASN 27 2HD2 ASN 27 5.280 -9.715 -2.051
229 H LYS 28 H LYS 28 0.109 -11.074 -0.299
230 HA LYS 28 HA LYS 28 -1.967 -9.524 1.111
231 1HB LYS 28 1HB LYS 28 -3.605 -11.109 0.415
232 2HB LYS 28 2HB LYS 28 -2.684 -10.663 -1.013
233 1HG LYS 28 1HG LYS 28 -2.416 -12.827 -1.404
234 2HG LYS 28 2HG LYS 28 -1.358 -12.886 0.006
235 1HD LYS 28 1HD LYS 28 -4.129 -12.953 0.806
236 2HD LYS 28 2HD LYS 28 -3.785 -14.233 -0.358
237 1HE LYS 28 1HE LYS 28 -1.849 -14.913 1.039
238 2HE LYS 28 2HE LYS 28 -2.330 -13.706 2.229
239 1HZ LYS 28 1HZ LYS 28 -3.152 -15.871 2.847
240 2HZ LYS 28 2HZ LYS 28 -3.946 -16.042 1.363
241 3HZ LYS 28 3HZ LYS 28 -4.456 -14.863 2.463
242 H LYS 29 H LYS 29 -3.020 -10.588 2.919
243 HA LYS 29 HA LYS 29 -1.419 -12.707 4.179
244 1HB LYS 29 1HB LYS 29 -0.887 -10.361 5.051
245 2HB LYS 29 2HB LYS 29 -2.503 -10.371 5.746
246 1HG LYS 29 1HG LYS 29 -1.978 -12.015 7.281
247 2HG LYS 29 2HG LYS 29 -0.618 -12.613 6.329
248 1HD LYS 29 1HD LYS 29 0.754 -11.369 7.557
249 2HD LYS 29 2HD LYS 29 -0.053 -9.920 6.953
250 1HE LYS 29 1HE LYS 29 -1.435 -9.759 8.804
251 2HE LYS 29 2HE LYS 29 -1.258 -11.464 9.211
252 1HZ LYS 29 1HZ LYS 29 0.870 -9.409 9.489
253 2HZ LYS 29 2HZ LYS 29 0.999 -11.038 9.925
254 3HZ LYS 29 3HZ LYS 29 -0.068 -10.024 10.757
Start of MODEL 23
1 H TYR 1 H TYR 1 -11.609 14.735 2.178
2 HA TYR 1 HA TYR 1 -9.361 14.743 2.811
3 1HB TYR 1 1HB TYR 1 -10.326 12.382 1.206
4 2HB TYR 1 2HB TYR 1 -8.813 12.324 2.104
5 HD1 TYR 1 HD1 TYR 1 -12.400 12.087 2.296
6 HD2 TYR 1 HD2 TYR 1 -8.871 12.659 4.603
7 HE1 TYR 1 HE1 TYR 1 -13.642 11.493 4.333
8 HE2 TYR 1 HE2 TYR 1 -10.102 12.065 6.646
9 HH TYR 1 HH TYR 1 -13.044 12.199 7.126
10 H LYS 2 H LYS 2 -7.121 14.336 2.287
11 HA LYS 2 HA LYS 2 -6.334 15.652 -0.136
12 1HB LYS 2 1HB LYS 2 -5.172 15.888 2.087
13 2HB LYS 2 2HB LYS 2 -4.551 14.258 1.865
14 1HG LYS 2 1HG LYS 2 -2.931 14.956 0.513
15 2HG LYS 2 2HG LYS 2 -4.039 15.945 -0.439
16 1HD LYS 2 1HD LYS 2 -3.901 17.726 1.211
17 2HD LYS 2 2HD LYS 2 -2.854 16.731 2.223
18 1HE LYS 2 1HE LYS 2 -1.331 18.082 1.129
19 2HE LYS 2 2HE LYS 2 -1.338 16.636 0.120
20 1HZ LYS 2 1HZ LYS 2 -2.898 19.107 -0.422
21 2HZ LYS 2 2HZ LYS 2 -2.837 17.732 -1.407
22 3HZ LYS 2 3HZ LYS 2 -1.452 18.677 -1.189
23 H PHE 3 H PHE 3 -5.771 12.371 1.177
24 HA PHE 3 HA PHE 3 -5.318 11.455 -1.585
25 1HB PHE 3 1HB PHE 3 -3.700 11.137 0.830
26 2HB PHE 3 2HB PHE 3 -4.038 9.621 0.016
27 HD1 PHE 3 HD1 PHE 3 -3.260 9.245 -2.286
28 HD2 PHE 3 HD2 PHE 3 -2.263 12.773 -0.126
29 HE1 PHE 3 HE1 PHE 3 -1.462 9.720 -3.898
30 HE2 PHE 3 HE2 PHE 3 -0.465 13.255 -1.732
31 HZ PHE 3 HZ PHE 3 -0.062 11.727 -3.623
32 H ALA 4 H ALA 4 -5.472 8.946 -1.640
33 HA ALA 4 HA ALA 4 -7.247 7.617 0.127
34 1HB ALA 4 1HB ALA 4 -9.112 7.335 -1.572
35 2HB ALA 4 2HB ALA 4 -8.411 8.709 -2.425
36 3HB ALA 4 3HB ALA 4 -9.009 8.906 -0.777
37 H CYS 5 H CYS 5 -6.622 5.543 0.002
38 HA CYS 5 HA CYS 5 -4.904 4.585 -2.013
39 1HB CYS 5 1HB CYS 5 -5.186 3.691 0.377
40 2HB CYS 5 2HB CYS 5 -6.558 2.791 -0.246
41 HG CYS 5 HG CYS 5 -3.767 2.327 -1.508
42 HA PRO 6 HA PRO 6 -7.865 3.503 -5.147
43 1HB PRO 6 1HB PRO 6 -6.221 2.117 -6.779
44 2HB PRO 6 2HB PRO 6 -6.134 3.875 -6.624
45 1HG PRO 6 1HG PRO 6 -4.427 1.775 -5.343
46 2HG PRO 6 2HG PRO 6 -3.941 3.309 -6.085
47 1HD PRO 6 1HD PRO 6 -4.198 2.967 -3.397
48 2HD PRO 6 2HD PRO 6 -4.458 4.525 -4.208
49 H GLU 7 H GLU 7 -6.169 1.224 -3.173
50 HA GLU 7 HA GLU 7 -7.760 -1.015 -4.191
51 1HB GLU 7 1HB GLU 7 -5.151 -0.750 -2.820
52 2HB GLU 7 2HB GLU 7 -6.119 -2.143 -2.369
53 1HG GLU 7 1HG GLU 7 -6.065 -3.033 -4.523
54 2HG GLU 7 2HG GLU 7 -5.581 -1.496 -5.241
55 H CYS 8 H CYS 8 -6.883 0.602 -1.127
56 HA CYS 8 HA CYS 8 -9.283 -0.612 0.090
57 1HB CYS 8 1HB CYS 8 -8.158 -0.602 2.212
58 2HB CYS 8 2HB CYS 8 -7.107 -1.369 1.037
59 HG CYS 8 HG CYS 8 -5.418 0.384 1.374
60 HA PRO 9 HA PRO 9 -10.655 3.460 1.120
61 1HB PRO 9 1HB PRO 9 -12.173 3.025 3.265
62 2HB PRO 9 2HB PRO 9 -12.535 2.249 1.719
63 1HG PRO 9 1HG PRO 9 -11.280 1.104 4.167
64 2HG PRO 9 2HG PRO 9 -12.373 0.340 3.001
65 1HD PRO 9 1HD PRO 9 -9.561 0.117 3.069
66 2HD PRO 9 2HD PRO 9 -10.628 -0.405 1.755
67 H LYS 10 H LYS 10 -7.920 2.908 2.342
68 HA LYS 10 HA LYS 10 -8.042 4.131 4.950
69 1HB LYS 10 1HB LYS 10 -5.582 3.654 3.266
70 2HB LYS 10 2HB LYS 10 -5.634 3.978 4.974
71 1HG LYS 10 1HG LYS 10 -7.146 1.617 4.071
72 2HG LYS 10 2HG LYS 10 -5.388 1.524 3.956
73 1HD LYS 10 1HD LYS 10 -5.967 2.650 6.472
74 2HD LYS 10 2HD LYS 10 -7.068 1.285 6.267
75 1HE LYS 10 1HE LYS 10 -5.144 0.375 7.263
76 2HE LYS 10 2HE LYS 10 -5.026 -0.054 5.559
77 1HZ LYS 10 1HZ LYS 10 -2.917 0.747 6.435
78 2HZ LYS 10 2HZ LYS 10 -3.627 2.222 6.859
79 3HZ LYS 10 3HZ LYS 10 -3.500 1.784 5.230
80 H ARG 11 H ARG 11 -7.198 6.146 5.521
81 HA ARG 11 HA ARG 11 -6.729 8.073 3.366
82 1HB ARG 11 1HB ARG 11 -8.532 8.648 5.712
83 2HB ARG 11 2HB ARG 11 -8.227 9.674 4.326
84 1HG ARG 11 1HG ARG 11 -9.324 8.015 2.876
85 2HG ARG 11 2HG ARG 11 -9.685 7.044 4.303
86 1HD ARG 11 1HD ARG 11 -10.532 9.905 4.206
87 2HD ARG 11 2HD ARG 11 -11.469 8.692 3.338
88 HE ARG 11 HE ARG 11 -11.319 9.066 6.190
89 1HH1 ARG 11 1HH1 ARG 11 -12.063 6.792 3.632
90 2HH1 ARG 11 2HH1 ARG 11 -13.101 5.827 4.626
91 1HH2 ARG 11 1HH2 ARG 11 -12.685 7.791 7.494
92 2HH2 ARG 11 2HH2 ARG 11 -13.456 6.394 6.819
93 H PHE 12 H PHE 12 -5.151 9.522 3.786
94 HA PHE 12 HA PHE 12 -4.167 9.785 6.542
95 1HB PHE 12 1HB PHE 12 -2.341 9.368 4.200
96 2HB PHE 12 2HB PHE 12 -1.878 9.462 5.883
97 HD1 PHE 12 HD1 PHE 12 -4.308 7.458 3.864
98 HD2 PHE 12 HD2 PHE 12 -1.198 7.451 6.766
99 HE1 PHE 12 HE1 PHE 12 -4.456 5.023 4.002
100 HE2 PHE 12 HE2 PHE 12 -1.345 4.996 6.909
101 HZ PHE 12 HZ PHE 12 -2.976 3.781 5.509
102 H MET 13 H MET 13 -2.965 11.694 6.978
103 HA MET 13 HA MET 13 -3.804 13.950 5.382
104 1HB MET 13 1HB MET 13 -2.351 13.635 7.990
105 2HB MET 13 2HB MET 13 -2.385 15.194 7.178
106 1HG MET 13 1HG MET 13 -4.591 15.522 7.592
107 2HG MET 13 2HG MET 13 -4.971 13.802 7.554
108 1HE MET 13 1HE MET 13 -3.881 12.152 9.599
109 2HE MET 13 2HE MET 13 -5.599 12.547 9.551
110 3HE MET 13 3HE MET 13 -4.721 12.611 11.080
111 H ARG 14 H ARG 14 -0.955 12.003 5.703
112 HA ARG 14 HA ARG 14 0.682 13.974 4.275
113 1HB ARG 14 1HB ARG 14 1.462 11.347 5.558
114 2HB ARG 14 2HB ARG 14 2.573 12.475 4.797
115 1HG ARG 14 1HG ARG 14 2.856 13.094 6.958
116 2HG ARG 14 2HG ARG 14 1.498 14.145 6.551
117 1HD ARG 14 1HD ARG 14 0.247 13.185 8.114
118 2HD ARG 14 2HD ARG 14 0.490 11.602 7.371
119 HE ARG 14 HE ARG 14 2.750 12.337 8.916
120 1HH1 ARG 14 1HH1 ARG 14 -0.546 11.203 9.241
121 2HH1 ARG 14 2HH1 ARG 14 -0.259 10.428 10.762
122 1HH2 ARG 14 1HH2 ARG 14 3.123 11.313 10.919
123 2HH2 ARG 14 2HH2 ARG 14 1.824 10.490 11.717
124 H SER 15 H SER 15 2.040 13.195 2.484
125 HA SER 15 HA SER 15 0.483 11.465 0.727
126 1HB SER 15 1HB SER 15 0.928 13.282 -0.512
127 2HB SER 15 2HB SER 15 2.437 13.648 0.320
128 HG SER 15 HG SER 15 1.950 11.990 -1.870
129 H ASP 16 H ASP 16 3.854 11.851 1.821
130 HA ASP 16 HA ASP 16 4.797 9.481 0.583
131 1HB ASP 16 1HB ASP 16 6.037 11.604 1.669
132 2HB ASP 16 2HB ASP 16 6.193 10.462 2.999
133 H HIS 17 H HIS 17 3.814 10.207 3.928
134 HA HIS 17 HA HIS 17 4.364 7.680 5.013
135 1HB HIS 17 1HB HIS 17 2.537 9.919 5.795
136 2HB HIS 17 2HB HIS 17 2.428 8.376 6.630
137 HD1 HIS 17 HD1 HIS 17 3.190 9.787 8.753
138 HD2 HIS 17 HD2 HIS 17 6.033 9.362 5.754
139 HE1 HIS 17 HE1 HIS 17 5.375 10.422 9.806
140 HE2 HIS 17 HE2 HIS 17 7.099 10.054 8.008
141 H LEU 18 H LEU 18 1.409 8.971 3.508
142 HA LEU 18 HA LEU 18 -0.249 6.758 3.957
143 1HB LEU 18 1HB LEU 18 -0.952 9.006 3.131
144 2HB LEU 18 2HB LEU 18 -0.285 8.601 1.572
145 HG LEU 18 HG LEU 18 -2.366 6.845 2.799
146 1HD1 LEU 18 1HD1 LEU 18 -2.740 9.525 1.547
147 2HD1 LEU 18 2HD1 LEU 18 -3.520 8.838 2.968
148 3HD1 LEU 18 3HD1 LEU 18 -3.969 8.272 1.362
149 1HD2 LEU 18 1HD2 LEU 18 -1.065 7.175 0.210
150 2HD2 LEU 18 2HD2 LEU 18 -2.820 7.031 0.118
151 3HD2 LEU 18 3HD2 LEU 18 -1.870 5.770 0.911
152 H THR 19 H THR 19 1.848 7.569 1.201
153 HA THR 19 HA THR 19 1.243 5.323 -0.339
154 HB THR 19 HB THR 19 3.836 6.886 -0.255
155 HG1 THR 19 HG1 THR 19 1.473 7.238 -1.783
156 1HG2 THR 19 1HG2 THR 19 3.974 6.228 -2.670
157 2HG2 THR 19 2HG2 THR 19 2.717 5.036 -2.339
158 3HG2 THR 19 3HG2 THR 19 4.271 4.932 -1.510
159 H LEU 20 H LEU 20 3.441 5.775 2.365
160 HA LEU 20 HA LEU 20 5.015 3.471 2.087
161 1HB LEU 20 1HB LEU 20 5.383 5.331 3.730
162 2HB LEU 20 2HB LEU 20 4.046 4.705 4.671
163 HG LEU 20 HG LEU 20 6.358 4.104 5.480
164 1HD1 LEU 20 1HD1 LEU 20 4.982 1.548 4.926
165 2HD1 LEU 20 2HD1 LEU 20 4.050 2.800 5.747
166 3HD1 LEU 20 3HD1 LEU 20 5.561 2.223 6.448
167 1HD2 LEU 20 1HD2 LEU 20 7.622 2.440 4.376
168 2HD2 LEU 20 2HD2 LEU 20 7.213 3.638 3.148
169 3HD2 LEU 20 3HD2 LEU 20 6.326 2.116 3.224
170 H HIS 21 H HIS 21 1.870 3.999 3.609
171 HA HIS 21 HA HIS 21 1.429 1.487 4.711
172 1HB HIS 21 1HB HIS 21 -0.509 2.475 5.283
173 2HB HIS 21 2HB HIS 21 -0.053 3.867 4.338
174 HD1 HIS 21 HD1 HIS 21 -2.126 4.536 3.089
175 HD2 HIS 21 HD2 HIS 21 -1.511 0.448 2.994
176 HE1 HIS 21 HE1 HIS 21 -3.990 3.551 1.692
177 H ILE 22 H ILE 22 0.457 2.715 1.552
178 HA ILE 22 HA ILE 22 -0.838 0.495 0.593
179 HB ILE 22 HB ILE 22 0.762 2.328 -1.183
180 1HG1 ILE 22 1HG1 ILE 22 -2.088 2.871 -0.532
181 2HG1 ILE 22 2HG1 ILE 22 -0.910 3.303 0.684
182 1HG2 ILE 22 1HG2 ILE 22 -0.471 0.217 -2.042
183 2HG2 ILE 22 2HG2 ILE 22 -0.728 1.748 -2.876
184 3HG2 ILE 22 3HG2 ILE 22 -1.937 1.151 -1.736
185 1HD1 ILE 22 1HD1 ILE 22 0.124 4.298 -1.682
186 2HD1 ILE 22 2HD1 ILE 22 -0.664 5.204 -0.391
187 3HD1 ILE 22 3HD1 ILE 22 -1.607 4.625 -1.763
188 H LEU 23 H LEU 23 2.528 0.685 1.179
189 HA LEU 23 HA LEU 23 3.530 -0.988 -0.819
190 1HB LEU 23 1HB LEU 23 5.443 -0.754 0.299
191 2HB LEU 23 2HB LEU 23 4.560 0.231 1.441
192 HG LEU 23 HG LEU 23 4.633 -2.727 1.861
193 1HD1 LEU 23 1HD1 LEU 23 6.868 -0.849 2.609
194 2HD1 LEU 23 2HD1 LEU 23 6.954 -2.119 1.390
195 3HD1 LEU 23 3HD1 LEU 23 6.723 -2.540 3.086
196 1HD2 LEU 23 1HD2 LEU 23 4.876 -0.555 3.910
197 2HD2 LEU 23 2HD2 LEU 23 4.251 -2.194 4.091
198 3HD2 LEU 23 3HD2 LEU 23 3.309 -0.981 3.224
199 H LEU 24 H LEU 24 1.734 -1.732 2.136
200 HA LEU 24 HA LEU 24 2.186 -4.473 2.306
201 1HB LEU 24 1HB LEU 24 -0.150 -4.581 3.305
202 2HB LEU 24 2HB LEU 24 1.017 -3.542 4.094
203 HG LEU 24 HG LEU 24 -0.194 -1.775 2.410
204 1HD1 LEU 24 1HD1 LEU 24 -2.545 -2.087 2.416
205 2HD1 LEU 24 2HD1 LEU 24 -2.409 -3.546 3.402
206 3HD1 LEU 24 3HD1 LEU 24 -1.820 -3.548 1.740
207 1HD2 LEU 24 1HD2 LEU 24 0.308 -1.679 4.888
208 2HD2 LEU 24 2HD2 LEU 24 -1.268 -2.432 5.137
209 3HD2 LEU 24 3HD2 LEU 24 -1.157 -0.854 4.355
210 H HIS 25 H HIS 25 0.094 -2.715 0.106
211 HA HIS 25 HA HIS 25 -1.447 -4.909 -0.776
212 1HB HIS 25 1HB HIS 25 -0.796 -2.276 -2.102
213 2HB HIS 25 2HB HIS 25 -1.933 -3.444 -2.762
214 HD1 HIS 25 HD1 HIS 25 -3.976 -4.052 -0.932
215 HD2 HIS 25 HD2 HIS 25 -1.948 -0.452 -0.520
216 HE1 HIS 25 HE1 HIS 25 -5.452 -2.558 0.486
217 H GLU 26 H GLU 26 1.030 -3.199 -2.726
218 HA GLU 26 HA GLU 26 1.455 -5.672 -4.219
219 1HB GLU 26 1HB GLU 26 1.855 -2.790 -4.761
220 2HB GLU 26 2HB GLU 26 2.995 -3.891 -5.520
221 1HG GLU 26 1HG GLU 26 1.170 -3.433 -7.020
222 2HG GLU 26 2HG GLU 26 1.124 -5.123 -6.520
223 H ASN 27 H ASN 27 3.384 -3.287 -2.400
224 HA ASN 27 HA ASN 27 5.883 -4.510 -2.844
225 1HB ASN 27 1HB ASN 27 5.121 -2.171 -1.731
226 2HB ASN 27 2HB ASN 27 5.499 -3.085 -0.274
227 1HD2 ASN 27 1HD2 ASN 27 6.739 -1.165 -2.701
228 2HD2 ASN 27 2HD2 ASN 27 8.417 -1.502 -2.473
229 H LYS 28 H LYS 28 6.066 -6.645 -2.440
230 HA LYS 28 HA LYS 28 5.993 -7.480 0.349
231 1HB LYS 28 1HB LYS 28 4.120 -8.437 -1.734
232 2HB LYS 28 2HB LYS 28 4.842 -9.682 -0.726
233 1HG LYS 28 1HG LYS 28 3.842 -8.892 1.201
234 2HG LYS 28 2HG LYS 28 3.594 -7.278 0.532
235 1HD LYS 28 1HD LYS 28 1.799 -8.007 -0.819
236 2HD LYS 28 2HD LYS 28 2.194 -9.707 -0.558
237 1HE LYS 28 1HE LYS 28 1.472 -7.955 1.757
238 2HE LYS 28 2HE LYS 28 0.208 -8.629 0.730
239 1HZ LYS 28 1HZ LYS 28 0.625 -10.052 2.620
240 2HZ LYS 28 2HZ LYS 28 2.262 -10.183 2.212
241 3HZ LYS 28 3HZ LYS 28 1.081 -10.846 1.197
242 H LYS 29 H LYS 29 8.188 -6.979 -1.310
243 HA LYS 29 HA LYS 29 9.566 -9.487 -1.120
244 1HB LYS 29 1HB LYS 29 10.315 -9.478 -3.520
245 2HB LYS 29 2HB LYS 29 8.632 -9.913 -3.272
246 1HG LYS 29 1HG LYS 29 8.291 -7.314 -3.688
247 2HG LYS 29 2HG LYS 29 9.807 -7.522 -4.568
248 1HD LYS 29 1HD LYS 29 8.728 -9.424 -5.794
249 2HD LYS 29 2HD LYS 29 7.205 -8.977 -5.024
250 1HE LYS 29 1HE LYS 29 8.799 -6.951 -6.551
251 2HE LYS 29 2HE LYS 29 7.738 -8.078 -7.395
252 1HZ LYS 29 1HZ LYS 29 6.594 -6.020 -6.926
253 2HZ LYS 29 2HZ LYS 29 6.917 -6.168 -5.273
254 3HZ LYS 29 3HZ LYS 29 5.891 -7.276 -6.037
Start of MODEL 24
1 H TYR 1 H TYR 1 -7.064 11.715 7.598
2 HA TYR 1 HA TYR 1 -8.426 11.091 5.628
3 1HB TYR 1 1HB TYR 1 -9.066 12.251 7.882
4 2HB TYR 1 2HB TYR 1 -9.308 13.674 6.877
5 HD1 TYR 1 HD1 TYR 1 -10.331 10.099 7.167
6 HD2 TYR 1 HD2 TYR 1 -11.359 14.005 5.827
7 HE1 TYR 1 HE1 TYR 1 -12.591 9.307 6.607
8 HE2 TYR 1 HE2 TYR 1 -13.621 13.223 5.264
9 HH TYR 1 HH TYR 1 -15.096 10.936 6.331
10 H LYS 2 H LYS 2 -6.185 12.751 4.509
11 HA LYS 2 HA LYS 2 -7.642 14.674 2.864
12 1HB LYS 2 1HB LYS 2 -5.168 14.810 4.024
13 2HB LYS 2 2HB LYS 2 -4.761 14.350 2.378
14 1HG LYS 2 1HG LYS 2 -6.534 16.683 3.053
15 2HG LYS 2 2HG LYS 2 -4.788 16.811 2.837
16 1HD LYS 2 1HD LYS 2 -5.285 17.195 0.681
17 2HD LYS 2 2HD LYS 2 -5.531 15.451 0.588
18 1HE LYS 2 1HE LYS 2 -7.581 15.969 -0.154
19 2HE LYS 2 2HE LYS 2 -7.945 16.319 1.535
20 1HZ LYS 2 1HZ LYS 2 -8.616 18.149 0.147
21 2HZ LYS 2 2HZ LYS 2 -7.066 18.282 -0.514
22 3HZ LYS 2 3HZ LYS 2 -7.322 18.641 1.119
23 H PHE 3 H PHE 3 -5.200 12.121 2.289
24 HA PHE 3 HA PHE 3 -6.060 11.886 -0.467
25 1HB PHE 3 1HB PHE 3 -3.795 10.738 1.148
26 2HB PHE 3 2HB PHE 3 -4.159 10.168 -0.462
27 HD1 PHE 3 HD1 PHE 3 -3.642 11.482 -2.402
28 HD2 PHE 3 HD2 PHE 3 -3.016 13.033 1.513
29 HE1 PHE 3 HE1 PHE 3 -2.310 13.322 -3.347
30 HE2 PHE 3 HE2 PHE 3 -1.684 14.875 0.574
31 HZ PHE 3 HZ PHE 3 -1.330 15.022 -1.860
32 H ALA 4 H ALA 4 -5.945 9.459 -1.273
33 HA ALA 4 HA ALA 4 -7.209 7.573 0.528
34 1HB ALA 4 1HB ALA 4 -9.123 8.859 -0.256
35 2HB ALA 4 2HB ALA 4 -9.168 7.218 -0.900
36 3HB ALA 4 3HB ALA 4 -8.657 8.555 -1.929
37 H CYS 5 H CYS 5 -6.828 5.470 -0.042
38 HA CYS 5 HA CYS 5 -4.882 4.975 -2.082
39 1HB CYS 5 1HB CYS 5 -5.145 3.752 0.165
40 2HB CYS 5 2HB CYS 5 -6.434 2.849 -0.615
41 HG CYS 5 HG CYS 5 -4.703 1.367 -1.479
42 HA PRO 6 HA PRO 6 -7.666 4.101 -5.428
43 1HB PRO 6 1HB PRO 6 -5.994 2.710 -7.040
44 2HB PRO 6 2HB PRO 6 -5.863 4.458 -6.811
45 1HG PRO 6 1HG PRO 6 -4.287 2.256 -5.532
46 2HG PRO 6 2HG PRO 6 -3.719 3.799 -6.194
47 1HD PRO 6 1HD PRO 6 -4.097 3.385 -3.539
48 2HD PRO 6 2HD PRO 6 -4.316 4.973 -4.307
49 H GLU 7 H GLU 7 -6.098 1.607 -3.580
50 HA GLU 7 HA GLU 7 -7.801 -0.467 -4.753
51 1HB GLU 7 1HB GLU 7 -5.191 -0.433 -3.339
52 2HB GLU 7 2HB GLU 7 -6.217 -1.830 -3.072
53 1HG GLU 7 1HG GLU 7 -4.755 -2.357 -4.858
54 2HG GLU 7 2HG GLU 7 -6.356 -2.102 -5.552
55 H CYS 8 H CYS 8 -6.818 0.834 -1.577
56 HA CYS 8 HA CYS 8 -9.226 -0.393 -0.396
57 1HB CYS 8 1HB CYS 8 -8.079 -0.367 1.727
58 2HB CYS 8 2HB CYS 8 -7.044 -1.129 0.531
59 HG CYS 8 HG CYS 8 -5.350 0.603 0.889
60 HA PRO 9 HA PRO 9 -10.683 3.629 0.725
61 1HB PRO 9 1HB PRO 9 -12.139 3.136 2.903
62 2HB PRO 9 2HB PRO 9 -12.530 2.388 1.351
63 1HG PRO 9 1HG PRO 9 -11.211 1.210 3.745
64 2HG PRO 9 2HG PRO 9 -12.309 0.453 2.580
65 1HD PRO 9 1HD PRO 9 -9.495 0.277 2.601
66 2HD PRO 9 2HD PRO 9 -10.572 -0.239 1.294
67 H LYS 10 H LYS 10 -7.931 2.944 2.036
68 HA LYS 10 HA LYS 10 -8.034 4.208 4.599
69 1HB LYS 10 1HB LYS 10 -5.606 3.728 2.859
70 2HB LYS 10 2HB LYS 10 -5.599 4.128 4.555
71 1HG LYS 10 1HG LYS 10 -6.731 2.022 5.068
72 2HG LYS 10 2HG LYS 10 -6.700 1.608 3.355
73 1HD LYS 10 1HD LYS 10 -4.593 0.892 3.485
74 2HD LYS 10 2HD LYS 10 -4.078 2.370 4.300
75 1HE LYS 10 1HE LYS 10 -4.779 1.478 6.435
76 2HE LYS 10 2HE LYS 10 -5.427 0.037 5.651
77 1HZ LYS 10 1HZ LYS 10 -2.568 0.845 5.702
78 2HZ LYS 10 2HZ LYS 10 -3.184 -0.534 4.939
79 3HZ LYS 10 3HZ LYS 10 -3.263 -0.393 6.623
80 H ARG 11 H ARG 11 -7.052 6.223 5.162
81 HA ARG 11 HA ARG 11 -6.729 8.165 3.000
82 1HB ARG 11 1HB ARG 11 -8.102 9.574 4.994
83 2HB ARG 11 2HB ARG 11 -8.695 9.142 3.401
84 1HG ARG 11 1HG ARG 11 -9.203 6.852 4.735
85 2HG ARG 11 2HG ARG 11 -9.362 8.027 6.040
86 1HD ARG 11 1HD ARG 11 -11.491 8.083 5.249
87 2HD ARG 11 2HD ARG 11 -10.780 9.309 4.200
88 HE ARG 11 HE ARG 11 -10.444 7.036 2.783
89 1HH1 ARG 11 1HH1 ARG 11 -13.241 8.466 4.332
90 2HH1 ARG 11 2HH1 ARG 11 -14.365 7.792 3.200
91 1HH2 ARG 11 1HH2 ARG 11 -11.929 6.149 1.297
92 2HH2 ARG 11 2HH2 ARG 11 -13.620 6.476 1.477
93 H PHE 12 H PHE 12 -5.101 9.579 3.339
94 HA PHE 12 HA PHE 12 -4.057 9.869 6.072
95 1HB PHE 12 1HB PHE 12 -2.309 9.417 3.681
96 2HB PHE 12 2HB PHE 12 -1.790 9.528 5.347
97 HD1 PHE 12 HD1 PHE 12 -4.247 7.536 3.366
98 HD2 PHE 12 HD2 PHE 12 -1.175 7.529 6.307
99 HE1 PHE 12 HE1 PHE 12 -4.439 5.106 3.546
100 HE2 PHE 12 HE2 PHE 12 -1.366 5.080 6.495
101 HZ PHE 12 HZ PHE 12 -3.002 3.867 5.098
102 H MET 13 H MET 13 -3.041 11.797 6.552
103 HA MET 13 HA MET 13 -3.808 14.042 4.944
104 1HB MET 13 1HB MET 13 -2.154 13.816 7.461
105 2HB MET 13 2HB MET 13 -2.533 15.350 6.690
106 1HG MET 13 1HG MET 13 -4.987 14.593 6.902
107 2HG MET 13 2HG MET 13 -4.362 13.434 8.072
108 1HE MET 13 1HE MET 13 -6.162 16.824 9.600
109 2HE MET 13 2HE MET 13 -6.559 15.470 8.543
110 3HE MET 13 3HE MET 13 -5.924 16.966 7.857
111 H ARG 14 H ARG 14 -0.921 12.122 5.337
112 HA ARG 14 HA ARG 14 0.655 14.031 3.765
113 1HB ARG 14 1HB ARG 14 1.425 11.603 5.381
114 2HB ARG 14 2HB ARG 14 2.550 12.420 4.312
115 1HG ARG 14 1HG ARG 14 2.303 14.476 5.595
116 2HG ARG 14 2HG ARG 14 1.146 13.678 6.661
117 1HD ARG 14 1HD ARG 14 3.214 13.636 7.797
118 2HD ARG 14 2HD ARG 14 2.965 12.003 7.177
119 HE ARG 14 HE ARG 14 4.441 13.050 5.232
120 1HH1 ARG 14 1HH1 ARG 14 4.866 13.243 8.706
121 2HH1 ARG 14 2HH1 ARG 14 6.589 13.372 8.608
122 1HH2 ARG 14 1HH2 ARG 14 6.713 13.218 5.117
123 2HH2 ARG 14 2HH2 ARG 14 7.637 13.359 6.575
124 H SER 15 H SER 15 1.936 13.239 1.971
125 HA SER 15 HA SER 15 0.437 11.315 0.372
126 1HB SER 15 1HB SER 15 0.798 12.914 -1.118
127 2HB SER 15 2HB SER 15 2.106 13.640 -0.187
128 HG SER 15 HG SER 15 3.120 12.887 -1.945
129 H ASP 16 H ASP 16 3.739 11.850 1.561
130 HA ASP 16 HA ASP 16 4.820 9.502 0.373
131 1HB ASP 16 1HB ASP 16 6.811 9.959 1.637
132 2HB ASP 16 2HB ASP 16 6.168 11.495 1.077
133 H HIS 17 H HIS 17 3.441 10.218 3.549
134 HA HIS 17 HA HIS 17 4.120 7.727 4.739
135 1HB HIS 17 1HB HIS 17 2.186 9.919 5.407
136 2HB HIS 17 2HB HIS 17 2.121 8.395 6.279
137 HD1 HIS 17 HD1 HIS 17 2.830 9.670 8.441
138 HD2 HIS 17 HD2 HIS 17 5.640 9.733 5.384
139 HE1 HIS 17 HE1 HIS 17 4.950 10.488 9.497
140 HE2 HIS 17 HE2 HIS 17 6.619 10.603 7.615
141 H LEU 18 H LEU 18 1.218 8.922 3.070
142 HA LEU 18 HA LEU 18 -0.391 6.658 3.446
143 1HB LEU 18 1HB LEU 18 -1.104 8.887 2.544
144 2HB LEU 18 2HB LEU 18 -0.362 8.451 1.026
145 HG LEU 18 HG LEU 18 -2.439 6.662 2.210
146 1HD1 LEU 18 1HD1 LEU 18 -3.220 8.843 0.342
147 2HD1 LEU 18 2HD1 LEU 18 -3.141 9.166 2.073
148 3HD1 LEU 18 3HD1 LEU 18 -4.216 7.910 1.458
149 1HD2 LEU 18 1HD2 LEU 18 -2.787 6.818 -0.494
150 2HD2 LEU 18 2HD2 LEU 18 -1.864 5.578 0.359
151 3HD2 LEU 18 3HD2 LEU 18 -1.040 6.985 -0.319
152 H THR 19 H THR 19 1.860 7.524 0.831
153 HA THR 19 HA THR 19 1.451 5.238 -0.722
154 HB THR 19 HB THR 19 3.967 6.907 -0.469
155 HG1 THR 19 HG1 THR 19 1.693 7.156 -2.139
156 1HG2 THR 19 1HG2 THR 19 4.352 6.225 -2.835
157 2HG2 THR 19 2HG2 THR 19 3.086 5.014 -2.630
158 3HG2 THR 19 3HG2 THR 19 4.551 4.932 -1.650
159 H LEU 20 H LEU 20 3.455 5.854 2.091
160 HA LEU 20 HA LEU 20 5.106 3.584 2.007
161 1HB LEU 20 1HB LEU 20 5.065 5.677 3.596
162 2HB LEU 20 2HB LEU 20 4.036 4.670 4.591
163 HG LEU 20 HG LEU 20 6.295 4.537 5.392
164 1HD1 LEU 20 1HD1 LEU 20 4.808 2.451 5.229
165 2HD1 LEU 20 2HD1 LEU 20 6.525 2.233 5.568
166 3HD1 LEU 20 3HD1 LEU 20 5.904 1.948 3.943
167 1HD2 LEU 20 1HD2 LEU 20 7.399 5.176 3.278
168 2HD2 LEU 20 2HD2 LEU 20 7.084 3.557 2.654
169 3HD2 LEU 20 3HD2 LEU 20 8.144 3.775 4.046
170 H HIS 21 H HIS 21 1.885 4.123 3.362
171 HA HIS 21 HA HIS 21 1.435 1.667 4.582
172 1HB HIS 21 1HB HIS 21 -0.529 2.663 5.021
173 2HB HIS 21 2HB HIS 21 -0.069 3.991 3.992
174 HD1 HIS 21 HD1 HIS 21 -2.163 4.517 2.702
175 HD2 HIS 21 HD2 HIS 21 -1.367 0.462 2.787
176 HE1 HIS 21 HE1 HIS 21 -3.962 3.393 1.333
177 H ILE 22 H ILE 22 0.625 2.709 1.319
178 HA ILE 22 HA ILE 22 -0.628 0.430 0.430
179 HB ILE 22 HB ILE 22 1.020 2.189 -1.377
180 1HG1 ILE 22 1HG1 ILE 22 -1.854 2.735 -0.855
181 2HG1 ILE 22 2HG1 ILE 22 -0.731 3.227 0.388
182 1HG2 ILE 22 1HG2 ILE 22 -0.310 -0.017 -2.057
183 2HG2 ILE 22 2HG2 ILE 22 -0.263 1.406 -3.097
184 3HG2 ILE 22 3HG2 ILE 22 -1.662 1.117 -2.059
185 1HD1 ILE 22 1HD1 ILE 22 0.355 4.118 -2.021
186 2HD1 ILE 22 2HD1 ILE 22 -0.399 5.074 -0.746
187 3HD1 ILE 22 3HD1 ILE 22 -1.369 4.478 -2.089
188 H LEU 23 H LEU 23 2.697 0.681 1.159
189 HA LEU 23 HA LEU 23 3.783 -1.159 -0.674
190 1HB LEU 23 1HB LEU 23 4.538 -0.229 2.064
191 2HB LEU 23 2HB LEU 23 5.354 -1.627 1.393
192 HG LEU 23 HG LEU 23 5.219 0.883 -0.224
193 1HD1 LEU 23 1HD1 LEU 23 7.404 1.539 0.834
194 2HD1 LEU 23 2HD1 LEU 23 7.035 0.392 2.123
195 3HD1 LEU 23 3HD1 LEU 23 5.972 1.769 1.837
196 1HD2 LEU 23 1HD2 LEU 23 7.332 0.064 -1.087
197 2HD2 LEU 23 2HD2 LEU 23 6.102 -1.195 -1.199
198 3HD2 LEU 23 3HD2 LEU 23 7.319 -1.262 0.075
199 H LEU 24 H LEU 24 1.745 -1.550 2.123
200 HA LEU 24 HA LEU 24 2.237 -4.246 2.758
201 1HB LEU 24 1HB LEU 24 -0.469 -2.932 2.928
202 2HB LEU 24 2HB LEU 24 0.153 -4.239 3.913
203 HG LEU 24 HG LEU 24 1.641 -1.691 4.093
204 1HD1 LEU 24 1HD1 LEU 24 -1.008 -1.918 5.494
205 2HD1 LEU 24 2HD1 LEU 24 -0.841 -1.089 3.946
206 3HD1 LEU 24 3HD1 LEU 24 0.051 -0.515 5.355
207 1HD2 LEU 24 1HD2 LEU 24 1.705 -2.300 6.443
208 2HD2 LEU 24 2HD2 LEU 24 2.184 -3.671 5.443
209 3HD2 LEU 24 3HD2 LEU 24 0.570 -3.619 6.151
210 H HIS 25 H HIS 25 0.003 -2.739 0.456
211 HA HIS 25 HA HIS 25 -1.459 -4.935 -0.361
212 1HB HIS 25 1HB HIS 25 -0.566 -2.482 -1.870
213 2HB HIS 25 2HB HIS 25 -1.628 -3.687 -2.588
214 HD1 HIS 25 HD1 HIS 25 -3.763 -4.209 -0.658
215 HD2 HIS 25 HD2 HIS 25 -2.037 -0.444 -0.958
216 HE1 HIS 25 HE1 HIS 25 -5.426 -2.581 0.332
217 H GLU 26 H GLU 26 1.852 -4.124 -1.152
218 HA GLU 26 HA GLU 26 2.346 -5.493 -3.470
219 1HB GLU 26 1HB GLU 26 4.088 -4.232 -2.381
220 2HB GLU 26 2HB GLU 26 4.063 -5.306 -0.990
221 1HG GLU 26 1HG GLU 26 4.625 -6.576 -3.590
222 2HG GLU 26 2HG GLU 26 5.854 -5.469 -2.983
223 H ASN 27 H ASN 27 2.239 -6.877 -0.187
224 HA ASN 27 HA ASN 27 2.887 -9.518 -0.906
225 1HB ASN 27 1HB ASN 27 1.352 -8.375 1.429
226 2HB ASN 27 2HB ASN 27 1.677 -10.098 1.270
227 1HD2 ASN 27 1HD2 ASN 27 2.673 -9.401 3.434
228 2HD2 ASN 27 2HD2 ASN 27 4.353 -9.003 3.388
229 H LYS 28 H LYS 28 1.803 -10.871 -2.171
230 HA LYS 28 HA LYS 28 -0.956 -10.396 -2.853
231 1HB LYS 28 1HB LYS 28 1.014 -11.342 -4.329
232 2HB LYS 28 2HB LYS 28 0.497 -12.884 -3.662
233 1HG LYS 28 1HG LYS 28 -1.702 -12.612 -4.581
234 2HG LYS 28 2HG LYS 28 -1.322 -10.971 -5.110
235 1HD LYS 28 1HD LYS 28 0.538 -12.032 -6.500
236 2HD LYS 28 2HD LYS 28 -0.254 -13.575 -6.169
237 1HE LYS 28 1HE LYS 28 -2.362 -12.585 -7.097
238 2HE LYS 28 2HE LYS 28 -1.411 -11.187 -7.597
239 1HZ LYS 28 1HZ LYS 28 -1.668 -12.738 -9.412
240 2HZ LYS 28 2HZ LYS 28 -0.996 -13.989 -8.493
241 3HZ LYS 28 3HZ LYS 28 -0.040 -12.669 -8.949
242 H LYS 29 H LYS 29 -2.276 -10.788 -1.132
243 HA LYS 29 HA LYS 29 -3.566 -11.966 0.317
244 1HB LYS 29 1HB LYS 29 -2.878 -13.828 -1.765
245 2HB LYS 29 2HB LYS 29 -2.981 -14.675 -0.229
246 1HG LYS 29 1HG LYS 29 -5.212 -14.397 -0.070
247 2HG LYS 29 2HG LYS 29 -5.173 -12.792 -0.805
248 1HD LYS 29 1HD LYS 29 -6.068 -13.797 -2.597
249 2HD LYS 29 2HD LYS 29 -4.436 -14.398 -2.893
250 1HE LYS 29 1HE LYS 29 -5.177 -16.312 -1.263
251 2HE LYS 29 2HE LYS 29 -6.799 -15.804 -1.730
252 1HZ LYS 29 1HZ LYS 29 -6.170 -16.146 -4.057
253 2HZ LYS 29 2HZ LYS 29 -6.033 -17.570 -3.155
254 3HZ LYS 29 3HZ LYS 29 -4.644 -16.697 -3.570
Start of MODEL 25
1 H TYR 1 H TYR 1 -7.851 15.342 4.734
2 HA TYR 1 HA TYR 1 -5.934 13.182 4.192
3 1HB TYR 1 1HB TYR 1 -8.053 11.740 4.439
4 2HB TYR 1 2HB TYR 1 -7.268 12.290 5.912
5 HD1 TYR 1 HD1 TYR 1 -10.267 12.454 3.862
6 HD2 TYR 1 HD2 TYR 1 -8.306 14.086 7.267
7 HE1 TYR 1 HE1 TYR 1 -12.399 13.413 4.623
8 HE2 TYR 1 HE2 TYR 1 -10.432 15.049 8.037
9 HH TYR 1 HH TYR 1 -12.845 15.704 6.431
10 H LYS 2 H LYS 2 -5.817 14.677 2.233
11 HA LYS 2 HA LYS 2 -8.104 14.598 0.461
12 1HB LYS 2 1HB LYS 2 -5.401 15.854 0.395
13 2HB LYS 2 2HB LYS 2 -6.234 15.595 -1.131
14 1HG LYS 2 1HG LYS 2 -7.192 17.568 -0.762
15 2HG LYS 2 2HG LYS 2 -8.183 16.729 0.433
16 1HD LYS 2 1HD LYS 2 -7.355 18.447 1.709
17 2HD LYS 2 2HD LYS 2 -6.129 17.213 2.003
18 1HE LYS 2 1HE LYS 2 -4.601 18.228 0.539
19 2HE LYS 2 2HE LYS 2 -5.850 19.214 -0.218
20 1HZ LYS 2 1HZ LYS 2 -6.050 20.477 1.826
21 2HZ LYS 2 2HZ LYS 2 -4.454 20.515 1.269
22 3HZ LYS 2 3HZ LYS 2 -4.871 19.519 2.571
23 H PHE 3 H PHE 3 -5.523 12.494 1.149
24 HA PHE 3 HA PHE 3 -5.381 11.380 -1.532
25 1HB PHE 3 1HB PHE 3 -3.804 11.168 0.943
26 2HB PHE 3 2HB PHE 3 -3.976 9.662 0.060
27 HD1 PHE 3 HD1 PHE 3 -2.874 9.310 -2.024
28 HD2 PHE 3 HD2 PHE 3 -2.712 13.106 -0.105
29 HE1 PHE 3 HE1 PHE 3 -1.081 10.007 -3.558
30 HE2 PHE 3 HE2 PHE 3 -0.919 13.808 -1.636
31 HZ PHE 3 HZ PHE 3 -0.101 12.258 -3.365
32 H ALA 4 H ALA 4 -5.678 9.063 -1.885
33 HA ALA 4 HA ALA 4 -7.303 7.575 -0.016
34 1HB ALA 4 1HB ALA 4 -9.027 8.912 -1.055
35 2HB ALA 4 2HB ALA 4 -9.171 7.240 -1.600
36 3HB ALA 4 3HB ALA 4 -8.457 8.455 -2.661
37 H CYS 5 H CYS 5 -6.674 5.513 -0.127
38 HA CYS 5 HA CYS 5 -4.858 4.591 -2.091
39 1HB CYS 5 1HB CYS 5 -5.128 3.744 0.306
40 2HB CYS 5 2HB CYS 5 -6.489 2.809 -0.286
41 HG CYS 5 HG CYS 5 -4.812 1.103 -0.785
42 HA PRO 6 HA PRO 6 -7.748 3.351 -5.232
43 1HB PRO 6 1HB PRO 6 -6.069 1.928 -6.796
44 2HB PRO 6 2HB PRO 6 -6.008 3.692 -6.701
45 1HG PRO 6 1HG PRO 6 -4.285 1.661 -5.337
46 2HG PRO 6 2HG PRO 6 -3.817 3.182 -6.119
47 1HD PRO 6 1HD PRO 6 -4.099 2.910 -3.421
48 2HD PRO 6 2HD PRO 6 -4.367 4.442 -4.281
49 H GLU 7 H GLU 7 -6.022 1.132 -3.199
50 HA GLU 7 HA GLU 7 -7.605 -1.137 -4.165
51 1HB GLU 7 1HB GLU 7 -4.947 -0.964 -3.489
52 2HB GLU 7 2HB GLU 7 -5.657 -1.656 -2.037
53 1HG GLU 7 1HG GLU 7 -6.739 -2.997 -4.300
54 2HG GLU 7 2HG GLU 7 -4.985 -2.943 -4.462
55 H CYS 8 H CYS 8 -6.951 0.754 -1.227
56 HA CYS 8 HA CYS 8 -9.339 -0.485 -0.021
57 1HB CYS 8 1HB CYS 8 -8.293 -0.518 2.141
58 2HB CYS 8 2HB CYS 8 -7.238 -1.342 1.006
59 HG CYS 8 HG CYS 8 -6.537 1.593 1.581
60 HA PRO 9 HA PRO 9 -10.541 3.653 0.974
61 1HB PRO 9 1HB PRO 9 -12.226 3.258 2.996
62 2HB PRO 9 2HB PRO 9 -12.518 2.526 1.414
63 1HG PRO 9 1HG PRO 9 -11.505 1.278 3.922
64 2HG PRO 9 2HG PRO 9 -12.539 0.587 2.660
65 1HD PRO 9 1HD PRO 9 -9.744 0.242 2.936
66 2HD PRO 9 2HD PRO 9 -10.739 -0.232 1.549
67 H LYS 10 H LYS 10 -7.917 3.342 2.087
68 HA LYS 10 HA LYS 10 -8.130 4.335 4.822
69 1HB LYS 10 1HB LYS 10 -5.613 3.809 3.240
70 2HB LYS 10 2HB LYS 10 -5.734 4.098 4.947
71 1HG LYS 10 1HG LYS 10 -7.220 1.794 3.823
72 2HG LYS 10 2HG LYS 10 -5.469 1.674 4.001
73 1HD LYS 10 1HD LYS 10 -5.698 1.266 6.174
74 2HD LYS 10 2HD LYS 10 -6.554 2.793 6.389
75 1HE LYS 10 1HE LYS 10 -7.959 0.366 5.330
76 2HE LYS 10 2HE LYS 10 -7.737 0.601 7.061
77 1HZ LYS 10 1HZ LYS 10 -9.279 2.269 5.170
78 2HZ LYS 10 2HZ LYS 10 -8.794 2.863 6.677
79 3HZ LYS 10 3HZ LYS 10 -9.814 1.517 6.588
80 H ARG 11 H ARG 11 -7.255 6.297 5.493
81 HA ARG 11 HA ARG 11 -6.657 8.276 3.408
82 1HB ARG 11 1HB ARG 11 -8.445 8.776 5.786
83 2HB ARG 11 2HB ARG 11 -8.015 9.935 4.546
84 1HG ARG 11 1HG ARG 11 -9.732 9.306 3.305
85 2HG ARG 11 2HG ARG 11 -9.155 7.638 3.299
86 1HD ARG 11 1HD ARG 11 -10.620 8.740 5.667
87 2HD ARG 11 2HD ARG 11 -11.505 8.165 4.256
88 HE ARG 11 HE ARG 11 -9.881 6.093 4.789
89 1HH1 ARG 11 1HH1 ARG 11 -12.026 7.957 6.836
90 2HH1 ARG 11 2HH1 ARG 11 -12.343 6.638 7.911
91 1HH2 ARG 11 1HH2 ARG 11 -10.309 4.360 6.202
92 2HH2 ARG 11 2HH2 ARG 11 -11.369 4.595 7.552
93 H PHE 12 H PHE 12 -5.030 9.672 3.890
94 HA PHE 12 HA PHE 12 -3.982 9.693 6.636
95 1HB PHE 12 1HB PHE 12 -2.274 9.338 4.195
96 2HB PHE 12 2HB PHE 12 -1.700 9.405 5.846
97 HD1 PHE 12 HD1 PHE 12 -4.278 7.485 3.940
98 HD2 PHE 12 HD2 PHE 12 -1.046 7.370 6.702
99 HE1 PHE 12 HE1 PHE 12 -4.490 5.059 4.069
100 HE2 PHE 12 HE2 PHE 12 -1.260 4.918 6.837
101 HZ PHE 12 HZ PHE 12 -2.988 3.762 5.502
102 H MET 13 H MET 13 -2.607 11.486 7.151
103 HA MET 13 HA MET 13 -3.481 13.924 5.898
104 1HB MET 13 1HB MET 13 -1.518 13.428 8.144
105 2HB MET 13 2HB MET 13 -2.057 15.019 7.624
106 1HG MET 13 1HG MET 13 -4.325 14.508 8.264
107 2HG MET 13 2HG MET 13 -3.868 12.856 8.676
108 1HE MET 13 1HE MET 13 -2.019 13.086 11.956
109 2HE MET 13 2HE MET 13 -1.152 13.101 10.419
110 3HE MET 13 3HE MET 13 -2.598 12.109 10.606
111 H ARG 14 H ARG 14 -0.571 11.953 5.857
112 HA ARG 14 HA ARG 14 0.835 13.981 4.273
113 1HB ARG 14 1HB ARG 14 1.698 11.599 5.853
114 2HB ARG 14 2HB ARG 14 2.697 12.110 4.501
115 1HG ARG 14 1HG ARG 14 2.913 14.333 5.489
116 2HG ARG 14 2HG ARG 14 1.908 13.824 6.848
117 1HD ARG 14 1HD ARG 14 4.234 13.716 7.483
118 2HD ARG 14 2HD ARG 14 3.571 12.082 7.387
119 HE ARG 14 HE ARG 14 4.656 12.422 4.942
120 1HH1 ARG 14 1HH1 ARG 14 5.940 12.920 8.163
121 2HH1 ARG 14 2HH1 ARG 14 7.567 12.544 7.703
122 1HH2 ARG 14 1HH2 ARG 14 6.798 11.927 4.346
123 2HH2 ARG 14 2HH2 ARG 14 8.054 11.982 5.538
124 H SER 15 H SER 15 2.111 13.194 2.403
125 HA SER 15 HA SER 15 0.447 11.469 0.728
126 1HB SER 15 1HB SER 15 1.112 12.668 -1.032
127 2HB SER 15 2HB SER 15 1.538 13.871 0.180
128 HG SER 15 HG SER 15 3.640 13.361 -0.028
129 H ASP 16 H ASP 16 3.766 11.760 1.910
130 HA ASP 16 HA ASP 16 4.730 9.457 0.523
131 1HB ASP 16 1HB ASP 16 6.137 10.360 2.949
132 2HB ASP 16 2HB ASP 16 6.776 9.963 1.369
133 H HIS 17 H HIS 17 3.753 10.117 3.869
134 HA HIS 17 HA HIS 17 4.282 7.560 4.909
135 1HB HIS 17 1HB HIS 17 2.554 9.856 5.732
136 2HB HIS 17 2HB HIS 17 2.326 8.306 6.528
137 HD1 HIS 17 HD1 HIS 17 3.158 9.870 8.622
138 HD2 HIS 17 HD2 HIS 17 6.008 8.793 5.796
139 HE1 HIS 17 HE1 HIS 17 5.379 10.251 9.730
140 HE2 HIS 17 HE2 HIS 17 7.091 9.663 7.978
141 H LEU 18 H LEU 18 1.351 8.917 3.418
142 HA LEU 18 HA LEU 18 -0.334 6.716 3.843
143 1HB LEU 18 1HB LEU 18 -0.982 9.002 3.017
144 2HB LEU 18 2HB LEU 18 -0.379 8.540 1.446
145 HG LEU 18 HG LEU 18 -2.434 6.834 2.767
146 1HD1 LEU 18 1HD1 LEU 18 -3.587 8.799 3.021
147 2HD1 LEU 18 2HD1 LEU 18 -4.075 8.318 1.400
148 3HD1 LEU 18 3HD1 LEU 18 -2.828 9.550 1.623
149 1HD2 LEU 18 1HD2 LEU 18 -3.039 7.041 0.128
150 2HD2 LEU 18 2HD2 LEU 18 -2.028 5.782 0.842
151 3HD2 LEU 18 3HD2 LEU 18 -1.282 7.203 0.107
152 H THR 19 H THR 19 1.776 7.545 1.100
153 HA THR 19 HA THR 19 1.181 5.297 -0.451
154 HB THR 19 HB THR 19 3.750 6.901 -0.351
155 HG1 THR 19 HG1 THR 19 2.389 8.343 -1.077
156 1HG2 THR 19 1HG2 THR 19 2.713 4.994 -2.426
157 2HG2 THR 19 2HG2 THR 19 4.252 4.938 -1.567
158 3HG2 THR 19 3HG2 THR 19 3.950 6.209 -2.750
159 H LEU 20 H LEU 20 3.380 5.794 2.238
160 HA LEU 20 HA LEU 20 4.964 3.492 2.016
161 1HB LEU 20 1HB LEU 20 5.052 5.530 3.666
162 2HB LEU 20 2HB LEU 20 4.031 4.528 4.675
163 HG LEU 20 HG LEU 20 6.319 4.310 5.377
164 1HD1 LEU 20 1HD1 LEU 20 5.790 1.764 3.899
165 2HD1 LEU 20 2HD1 LEU 20 4.748 2.278 5.227
166 3HD1 LEU 20 3HD1 LEU 20 6.466 2.000 5.511
167 1HD2 LEU 20 1HD2 LEU 20 8.090 3.548 3.951
168 2HD2 LEU 20 2HD2 LEU 20 7.329 4.951 3.199
169 3HD2 LEU 20 3HD2 LEU 20 6.972 3.330 2.604
170 H HIS 21 H HIS 21 1.814 4.052 3.516
171 HA HIS 21 HA HIS 21 1.378 1.553 4.668
172 1HB HIS 21 1HB HIS 21 -0.549 2.557 5.250
173 2HB HIS 21 2HB HIS 21 -0.083 3.941 4.302
174 HD1 HIS 21 HD1 HIS 21 -2.128 4.643 3.032
175 HD2 HIS 21 HD2 HIS 21 -1.632 0.535 3.022
176 HE1 HIS 21 HE1 HIS 21 -4.035 3.683 1.678
177 H ILE 22 H ILE 22 0.396 2.758 1.505
178 HA ILE 22 HA ILE 22 -0.925 0.527 0.589
179 HB ILE 22 HB ILE 22 0.649 2.348 -1.223
180 1HG1 ILE 22 1HG1 ILE 22 -2.191 2.900 -0.544
181 2HG1 ILE 22 2HG1 ILE 22 -1.006 3.325 0.667
182 1HG2 ILE 22 1HG2 ILE 22 -0.622 0.219 -2.026
183 2HG2 ILE 22 2HG2 ILE 22 -0.835 1.737 -2.896
184 3HG2 ILE 22 3HG2 ILE 22 -2.062 1.201 -1.746
185 1HD1 ILE 22 1HD1 ILE 22 -1.736 4.688 -1.726
186 2HD1 ILE 22 2HD1 ILE 22 -0.014 4.311 -1.742
187 3HD1 ILE 22 3HD1 ILE 22 -0.709 5.218 -0.398
188 H LEU 23 H LEU 23 2.444 0.733 1.139
189 HA LEU 23 HA LEU 23 3.473 -0.949 -0.831
190 1HB LEU 23 1HB LEU 23 4.443 0.237 1.484
191 2HB LEU 23 2HB LEU 23 4.619 -1.479 1.774
192 HG LEU 23 HG LEU 23 5.623 -0.285 -0.782
193 1HD1 LEU 23 1HD1 LEU 23 7.801 0.063 0.258
194 2HD1 LEU 23 2HD1 LEU 23 7.129 -0.372 1.830
195 3HD1 LEU 23 3HD1 LEU 23 6.571 1.084 1.005
196 1HD2 LEU 23 1HD2 LEU 23 5.555 -2.688 -0.671
197 2HD2 LEU 23 2HD2 LEU 23 6.394 -2.679 0.881
198 3HD2 LEU 23 3HD2 LEU 23 7.234 -2.157 -0.578
199 H LEU 24 H LEU 24 1.613 -1.699 2.082
200 HA LEU 24 HA LEU 24 2.097 -4.433 2.291
201 1HB LEU 24 1HB LEU 24 -0.328 -4.557 3.143
202 2HB LEU 24 2HB LEU 24 0.831 -3.599 4.037
203 HG LEU 24 HG LEU 24 -0.269 -1.736 2.344
204 1HD1 LEU 24 1HD1 LEU 24 -2.643 -1.968 2.384
205 2HD1 LEU 24 2HD1 LEU 24 -2.529 -3.480 3.289
206 3HD1 LEU 24 3HD1 LEU 24 -1.957 -3.405 1.622
207 1HD2 LEU 24 1HD2 LEU 24 0.229 -1.604 4.785
208 2HD2 LEU 24 2HD2 LEU 24 -1.298 -2.435 5.085
209 3HD2 LEU 24 3HD2 LEU 24 -1.293 -0.851 4.310
210 H HIS 25 H HIS 25 -0.226 -2.744 0.204
211 HA HIS 25 HA HIS 25 -1.488 -5.019 -0.863
212 1HB HIS 25 1HB HIS 25 -1.042 -2.345 -2.209
213 2HB HIS 25 2HB HIS 25 -2.230 -3.554 -2.681
214 HD1 HIS 25 HD1 HIS 25 -4.059 -4.078 -0.624
215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.464 -0.587
216 HE1 HIS 25 HE1 HIS 25 -5.394 -2.521 0.859
217 H GLU 26 H GLU 26 1.281 -3.126 -2.055
218 HA GLU 26 HA GLU 26 1.778 -5.114 -4.134
219 1HB GLU 26 1HB GLU 26 2.950 -2.398 -3.546
220 2HB GLU 26 2HB GLU 26 3.647 -3.475 -4.748
221 1HG GLU 26 1HG GLU 26 0.752 -2.727 -4.849
222 2HG GLU 26 2HG GLU 26 1.992 -1.663 -5.509
223 H ASN 27 H ASN 27 2.178 -6.602 -2.175
224 HA ASN 27 HA ASN 27 5.011 -7.016 -1.993
225 1HB ASN 27 1HB ASN 27 4.448 -5.318 -0.158
226 2HB ASN 27 2HB ASN 27 3.586 -6.631 0.637
227 1HD2 ASN 27 1HD2 ASN 27 6.660 -5.297 -0.167
228 2HD2 ASN 27 2HD2 ASN 27 7.621 -6.413 0.737
229 H LYS 28 H LYS 28 5.299 -9.132 -2.165
230 HA LYS 28 HA LYS 28 3.556 -10.971 -0.724
231 1HB LYS 28 1HB LYS 28 3.421 -10.538 -3.585
232 2HB LYS 28 2HB LYS 28 3.874 -12.199 -3.228
233 1HG LYS 28 1HG LYS 28 1.836 -12.722 -2.479
234 2HG LYS 28 2HG LYS 28 1.661 -11.201 -1.600
235 1HD LYS 28 1HD LYS 28 0.908 -10.059 -3.515
236 2HD LYS 28 2HD LYS 28 1.457 -11.342 -4.596
237 1HE LYS 28 1HE LYS 28 -0.852 -11.647 -4.506
238 2HE LYS 28 2HE LYS 28 -0.229 -12.832 -3.360
239 1HZ LYS 28 1HZ LYS 28 -1.300 -10.157 -2.635
240 2HZ LYS 28 2HZ LYS 28 -0.757 -11.338 -1.553
241 3HZ LYS 28 3HZ LYS 28 -2.141 -11.618 -2.484
242 H LYS 29 H LYS 29 5.846 -10.701 0.298
243 HA LYS 29 HA LYS 29 7.311 -13.102 -0.376
244 1HB LYS 29 1HB LYS 29 9.513 -11.846 -0.414
245 2HB LYS 29 2HB LYS 29 8.498 -11.668 -1.837
246 1HG LYS 29 1HG LYS 29 7.648 -9.527 -0.580
247 2HG LYS 29 2HG LYS 29 9.191 -9.676 0.263
248 1HD LYS 29 1HD LYS 29 9.403 -9.983 -2.638
249 2HD LYS 29 2HD LYS 29 8.800 -8.403 -2.136
250 1HE LYS 29 1HE LYS 29 11.201 -9.579 -0.797
251 2HE LYS 29 2HE LYS 29 11.365 -8.807 -2.374
252 1HZ LYS 29 1HZ LYS 29 11.786 -7.264 -0.553
253 2HZ LYS 29 2HZ LYS 29 10.229 -7.522 0.053
254 3HZ LYS 29 3HZ LYS 29 10.437 -6.784 -1.455
Start of MODEL 26
1 H TYR 1 H TYR 1 -6.255 12.585 6.202
2 HA TYR 1 HA TYR 1 -7.641 11.275 5.020
3 1HB TYR 1 1HB TYR 1 -10.016 11.623 4.817
4 2HB TYR 1 2HB TYR 1 -9.588 11.814 6.511
5 HD1 TYR 1 HD1 TYR 1 -11.339 13.230 3.795
6 HD2 TYR 1 HD2 TYR 1 -9.155 14.288 7.291
7 HE1 TYR 1 HE1 TYR 1 -12.439 15.428 3.812
8 HE2 TYR 1 HE2 TYR 1 -10.250 16.489 7.316
9 HH TYR 1 HH TYR 1 -11.546 17.926 5.001
10 H LYS 2 H LYS 2 -5.889 13.434 4.293
11 HA LYS 2 HA LYS 2 -6.999 15.095 2.297
12 1HB LYS 2 1HB LYS 2 -4.188 14.195 2.883
13 2HB LYS 2 2HB LYS 2 -4.555 15.242 1.520
14 1HG LYS 2 1HG LYS 2 -5.755 16.220 3.962
15 2HG LYS 2 2HG LYS 2 -4.010 16.020 4.124
16 1HD LYS 2 1HD LYS 2 -3.585 17.764 2.789
17 2HD LYS 2 2HD LYS 2 -4.771 17.239 1.593
18 1HE LYS 2 1HE LYS 2 -5.615 19.281 2.320
19 2HE LYS 2 2HE LYS 2 -6.525 18.106 3.268
20 1HZ LYS 2 1HZ LYS 2 -5.066 18.497 5.132
21 2HZ LYS 2 2HZ LYS 2 -5.720 19.967 4.611
22 3HZ LYS 2 3HZ LYS 2 -4.123 19.570 4.224
23 H PHE 3 H PHE 3 -5.146 12.051 2.020
24 HA PHE 3 HA PHE 3 -6.030 11.842 -0.771
25 1HB PHE 3 1HB PHE 3 -3.618 10.982 0.719
26 2HB PHE 3 2HB PHE 3 -4.195 9.890 -0.523
27 HD1 PHE 3 HD1 PHE 3 -2.175 12.674 0.146
28 HD2 PHE 3 HD2 PHE 3 -4.698 11.005 -2.848
29 HE1 PHE 3 HE1 PHE 3 -1.052 14.046 -1.560
30 HE2 PHE 3 HE2 PHE 3 -3.578 12.373 -4.559
31 HZ PHE 3 HZ PHE 3 -1.753 13.896 -3.916
32 H ALA 4 H ALA 4 -6.063 9.380 -1.441
33 HA ALA 4 HA ALA 4 -7.269 7.637 0.535
34 1HB ALA 4 1HB ALA 4 -8.841 8.537 -1.879
35 2HB ALA 4 2HB ALA 4 -9.187 8.958 -0.201
36 3HB ALA 4 3HB ALA 4 -9.329 7.284 -0.739
37 H CYS 5 H CYS 5 -6.799 5.539 0.106
38 HA CYS 5 HA CYS 5 -5.050 4.905 -2.032
39 1HB CYS 5 1HB CYS 5 -5.259 3.755 0.272
40 2HB CYS 5 2HB CYS 5 -6.560 2.831 -0.465
41 HG CYS 5 HG CYS 5 -4.665 1.341 -1.020
42 HA PRO 6 HA PRO 6 -8.020 3.957 -5.192
43 1HB PRO 6 1HB PRO 6 -6.377 2.732 -6.944
44 2HB PRO 6 2HB PRO 6 -6.312 4.474 -6.655
45 1HG PRO 6 1HG PRO 6 -4.559 2.307 -5.565
46 2HG PRO 6 2HG PRO 6 -4.105 3.904 -6.189
47 1HD PRO 6 1HD PRO 6 -4.326 3.339 -3.532
48 2HD PRO 6 2HD PRO 6 -4.606 4.956 -4.212
49 H GLU 7 H GLU 7 -6.175 1.549 -3.487
50 HA GLU 7 HA GLU 7 -7.781 -0.627 -4.615
51 1HB GLU 7 1HB GLU 7 -5.118 -0.527 -4.142
52 2HB GLU 7 2HB GLU 7 -5.671 -1.231 -2.630
53 1HG GLU 7 1HG GLU 7 -6.856 -2.466 -4.993
54 2HG GLU 7 2HG GLU 7 -5.101 -2.605 -4.921
55 H CYS 8 H CYS 8 -6.801 0.708 -1.443
56 HA CYS 8 HA CYS 8 -9.108 -0.687 -0.246
57 1HB CYS 8 1HB CYS 8 -7.949 -0.709 1.842
58 2HB CYS 8 2HB CYS 8 -6.833 -1.288 0.619
59 HG CYS 8 HG CYS 8 -6.570 1.675 1.415
60 HA PRO 9 HA PRO 9 -10.765 3.211 1.003
61 1HB PRO 9 1HB PRO 9 -12.153 2.566 3.193
62 2HB PRO 9 2HB PRO 9 -12.537 1.859 1.621
63 1HG PRO 9 1HG PRO 9 -11.136 0.651 3.947
64 2HG PRO 9 2HG PRO 9 -12.192 -0.113 2.748
65 1HD PRO 9 1HD PRO 9 -9.364 -0.114 2.766
66 2HD PRO 9 2HD PRO 9 -10.414 -0.667 1.452
67 H LYS 10 H LYS 10 -8.023 3.171 1.821
68 HA LYS 10 HA LYS 10 -8.036 4.147 4.571
69 1HB LYS 10 1HB LYS 10 -5.757 3.624 2.656
70 2HB LYS 10 2HB LYS 10 -5.552 4.280 4.255
71 1HG LYS 10 1HG LYS 10 -7.038 1.731 4.000
72 2HG LYS 10 2HG LYS 10 -5.288 1.710 3.771
73 1HD LYS 10 1HD LYS 10 -4.999 2.785 5.959
74 2HD LYS 10 2HD LYS 10 -6.750 2.779 6.186
75 1HE LYS 10 1HE LYS 10 -6.827 0.423 6.301
76 2HE LYS 10 2HE LYS 10 -5.185 0.263 5.678
77 1HZ LYS 10 1HZ LYS 10 -5.299 -0.125 8.068
78 2HZ LYS 10 2HZ LYS 10 -5.909 1.433 8.311
79 3HZ LYS 10 3HZ LYS 10 -4.340 1.223 7.716
80 H ARG 11 H ARG 11 -6.883 6.164 5.066
81 HA ARG 11 HA ARG 11 -6.769 8.160 2.954
82 1HB ARG 11 1HB ARG 11 -8.203 9.743 4.268
83 2HB ARG 11 2HB ARG 11 -9.070 8.386 3.567
84 1HG ARG 11 1HG ARG 11 -9.075 7.258 5.730
85 2HG ARG 11 2HG ARG 11 -8.189 8.611 6.439
86 1HD ARG 11 1HD ARG 11 -10.014 9.933 6.525
87 2HD ARG 11 2HD ARG 11 -10.655 9.328 4.999
88 HE ARG 11 HE ARG 11 -10.916 7.286 6.866
89 1HH1 ARG 11 1HH1 ARG 11 -12.154 10.522 6.370
90 2HH1 ARG 11 2HH1 ARG 11 -13.647 10.211 7.188
91 1HH2 ARG 11 1HH2 ARG 11 -12.887 6.879 7.943
92 2HH2 ARG 11 2HH2 ARG 11 -14.064 8.143 8.082
93 H PHE 12 H PHE 12 -5.143 9.577 3.289
94 HA PHE 12 HA PHE 12 -4.112 9.909 6.019
95 1HB PHE 12 1HB PHE 12 -2.301 9.444 3.681
96 2HB PHE 12 2HB PHE 12 -1.855 9.498 5.371
97 HD1 PHE 12 HD1 PHE 12 -4.169 7.606 3.147
98 HD2 PHE 12 HD2 PHE 12 -1.405 7.467 6.376
99 HE1 PHE 12 HE1 PHE 12 -4.412 5.176 3.236
100 HE2 PHE 12 HE2 PHE 12 -1.650 5.017 6.476
101 HZ PHE 12 HZ PHE 12 -3.157 3.869 4.891
102 H MET 13 H MET 13 -3.141 11.858 6.475
103 HA MET 13 HA MET 13 -3.860 14.055 4.778
104 1HB MET 13 1HB MET 13 -2.421 13.832 7.412
105 2HB MET 13 2HB MET 13 -2.545 15.368 6.565
106 1HG MET 13 1HG MET 13 -5.127 14.580 6.536
107 2HG MET 13 2HG MET 13 -4.578 13.850 8.042
108 1HE MET 13 1HE MET 13 -3.561 16.820 10.237
109 2HE MET 13 2HE MET 13 -2.564 15.660 9.360
110 3HE MET 13 3HE MET 13 -4.023 15.119 10.190
111 H ARG 14 H ARG 14 -0.999 12.144 5.295
112 HA ARG 14 HA ARG 14 0.657 14.046 3.800
113 1HB ARG 14 1HB ARG 14 1.361 11.564 5.371
114 2HB ARG 14 2HB ARG 14 2.528 12.488 4.442
115 1HG ARG 14 1HG ARG 14 2.848 13.351 6.536
116 2HG ARG 14 2HG ARG 14 1.665 14.486 5.884
117 1HD ARG 14 1HD ARG 14 0.136 13.911 7.403
118 2HD ARG 14 2HD ARG 14 0.405 12.188 7.131
119 HE ARG 14 HE ARG 14 2.562 12.999 8.600
120 1HH1 ARG 14 1HH1 ARG 14 -0.908 13.129 9.048
121 2HH1 ARG 14 2HH1 ARG 14 -0.811 13.043 10.774
122 1HH2 ARG 14 1HH2 ARG 14 2.684 12.885 10.872
123 2HH2 ARG 14 2HH2 ARG 14 1.228 12.904 11.811
124 H SER 15 H SER 15 1.963 13.293 2.031
125 HA SER 15 HA SER 15 0.542 11.364 0.373
126 1HB SER 15 1HB SER 15 1.134 12.656 -1.315
127 2HB SER 15 2HB SER 15 1.837 13.781 -0.159
128 HG SER 15 HG SER 15 3.798 13.071 -0.636
129 H ASP 16 H ASP 16 3.801 11.923 1.648
130 HA ASP 16 HA ASP 16 4.953 9.570 0.556
131 1HB ASP 16 1HB ASP 16 6.607 10.018 2.610
132 2HB ASP 16 2HB ASP 16 6.651 10.988 1.146
133 H HIS 17 H HIS 17 3.649 10.329 3.776
134 HA HIS 17 HA HIS 17 4.167 7.833 4.961
135 1HB HIS 17 1HB HIS 17 2.081 9.938 5.534
136 2HB HIS 17 2HB HIS 17 2.265 8.488 6.509
137 HD1 HIS 17 HD1 HIS 17 2.715 10.472 8.357
138 HD2 HIS 17 HD2 HIS 17 5.697 9.757 5.552
139 HE1 HIS 17 HE1 HIS 17 4.796 11.503 9.312
140 HE2 HIS 17 HE2 HIS 17 6.571 11.126 7.564
141 H LEU 18 H LEU 18 1.327 9.048 3.205
142 HA LEU 18 HA LEU 18 -0.345 6.840 3.546
143 1HB LEU 18 1HB LEU 18 -0.961 9.052 2.574
144 2HB LEU 18 2HB LEU 18 -0.140 8.594 1.105
145 HG LEU 18 HG LEU 18 -2.333 6.875 2.177
146 1HD1 LEU 18 1HD1 LEU 18 -3.933 8.160 0.833
147 2HD1 LEU 18 2HD1 LEU 18 -2.675 9.355 0.516
148 3HD1 LEU 18 3HD1 LEU 18 -3.260 9.109 2.160
149 1HD2 LEU 18 1HD2 LEU 18 -1.694 5.741 0.377
150 2HD2 LEU 18 2HD2 LEU 18 -0.767 7.102 -0.260
151 3HD2 LEU 18 3HD2 LEU 18 -2.505 7.008 -0.550
152 H THR 19 H THR 19 2.019 7.557 0.980
153 HA THR 19 HA THR 19 1.570 5.245 -0.519
154 HB THR 19 HB THR 19 4.138 6.829 -0.258
155 HG1 THR 19 HG1 THR 19 1.893 7.120 -1.960
156 1HG2 THR 19 1HG2 THR 19 4.675 4.813 -1.383
157 2HG2 THR 19 2HG2 THR 19 4.524 6.074 -2.606
158 3HG2 THR 19 3HG2 THR 19 3.222 4.908 -2.378
159 H LEU 20 H LEU 20 3.510 5.830 2.351
160 HA LEU 20 HA LEU 20 5.115 3.534 2.336
161 1HB LEU 20 1HB LEU 20 5.213 5.527 3.916
162 2HB LEU 20 2HB LEU 20 3.885 4.796 4.792
163 HG LEU 20 HG LEU 20 6.097 4.398 5.825
164 1HD1 LEU 20 1HD1 LEU 20 5.536 2.337 6.580
165 2HD1 LEU 20 2HD1 LEU 20 5.208 1.708 4.965
166 3HD1 LEU 20 3HD1 LEU 20 4.028 2.746 5.764
167 1HD2 LEU 20 1HD2 LEU 20 7.319 4.235 3.635
168 2HD2 LEU 20 2HD2 LEU 20 6.663 2.606 3.477
169 3HD2 LEU 20 3HD2 LEU 20 7.731 3.000 4.824
170 H HIS 21 H HIS 21 1.828 4.090 3.501
171 HA HIS 21 HA HIS 21 1.291 1.617 4.663
172 1HB HIS 21 1HB HIS 21 -0.691 2.616 5.015
173 2HB HIS 21 2HB HIS 21 -0.125 3.985 4.100
174 HD1 HIS 21 HD1 HIS 21 -1.983 4.665 2.573
175 HD2 HIS 21 HD2 HIS 21 -1.563 0.555 2.752
176 HE1 HIS 21 HE1 HIS 21 -3.752 3.688 1.056
177 H ILE 22 H ILE 22 0.635 2.726 1.380
178 HA ILE 22 HA ILE 22 -0.609 0.483 0.404
179 HB ILE 22 HB ILE 22 1.166 2.235 -1.287
180 1HG1 ILE 22 1HG1 ILE 22 -1.734 2.790 -0.922
181 2HG1 ILE 22 2HG1 ILE 22 -0.667 3.277 0.375
182 1HG2 ILE 22 1HG2 ILE 22 -0.201 0.036 -2.038
183 2HG2 ILE 22 2HG2 ILE 22 0.053 1.426 -3.091
184 3HG2 ILE 22 3HG2 ILE 22 -1.464 1.256 -2.204
185 1HD1 ILE 22 1HD1 ILE 22 0.545 4.170 -1.965
186 2HD1 ILE 22 2HD1 ILE 22 -0.295 5.129 -0.746
187 3HD1 ILE 22 3HD1 ILE 22 -1.173 4.519 -2.147
188 H LEU 23 H LEU 23 2.667 0.609 1.336
189 HA LEU 23 HA LEU 23 3.863 -1.142 -0.482
190 1HB LEU 23 1HB LEU 23 4.388 -0.266 2.275
191 2HB LEU 23 2HB LEU 23 5.010 -1.860 1.898
192 HG LEU 23 HG LEU 23 5.719 -0.117 -0.242
193 1HD1 LEU 23 1HD1 LEU 23 5.447 1.754 1.243
194 2HD1 LEU 23 2HD1 LEU 23 7.169 1.454 1.006
195 3HD1 LEU 23 3HD1 LEU 23 6.382 0.944 2.499
196 1HD2 LEU 23 1HD2 LEU 23 6.796 -2.241 0.874
197 2HD2 LEU 23 2HD2 LEU 23 7.666 -1.031 1.816
198 3HD2 LEU 23 3HD2 LEU 23 7.794 -1.037 0.058
199 H LEU 24 H LEU 24 1.688 -1.736 2.239
200 HA LEU 24 HA LEU 24 2.009 -4.504 2.503
201 1HB LEU 24 1HB LEU 24 -0.398 -4.483 3.301
202 2HB LEU 24 2HB LEU 24 0.738 -3.470 4.168
203 HG LEU 24 HG LEU 24 -0.259 -1.706 2.338
204 1HD1 LEU 24 1HD1 LEU 24 -2.605 -1.928 2.152
205 2HD1 LEU 24 2HD1 LEU 24 -2.624 -3.330 3.226
206 3HD1 LEU 24 3HD1 LEU 24 -1.906 -3.459 1.621
207 1HD2 LEU 24 1HD2 LEU 24 -1.571 -2.216 4.988
208 2HD2 LEU 24 2HD2 LEU 24 -1.298 -0.675 4.175
209 3HD2 LEU 24 3HD2 LEU 24 0.064 -1.569 4.852
210 H HIS 25 H HIS 25 0.068 -2.655 0.206
211 HA HIS 25 HA HIS 25 -1.479 -4.729 -0.846
212 1HB HIS 25 1HB HIS 25 -0.499 -2.144 -2.040
213 2HB HIS 25 2HB HIS 25 -1.546 -3.245 -2.928
214 HD1 HIS 25 HD1 HIS 25 -3.819 -3.906 -1.317
215 HD2 HIS 25 HD2 HIS 25 -1.911 -0.252 -0.787
216 HE1 HIS 25 HE1 HIS 25 -5.482 -2.395 -0.159
217 H GLU 26 H GLU 26 1.892 -4.007 -1.351
218 HA GLU 26 HA GLU 26 2.371 -5.116 -3.838
219 1HB GLU 26 1HB GLU 26 4.621 -5.178 -3.275
220 2HB GLU 26 2HB GLU 26 3.992 -3.958 -2.179
221 1HG GLU 26 1HG GLU 26 3.868 -5.683 -0.406
222 2HG GLU 26 2HG GLU 26 4.619 -6.827 -1.515
223 H ASN 27 H ASN 27 1.853 -6.764 -0.760
224 HA ASN 27 HA ASN 27 2.618 -9.350 -1.675
225 1HB ASN 27 1HB ASN 27 2.416 -8.525 0.755
226 2HB ASN 27 2HB ASN 27 0.690 -8.829 0.584
227 1HD2 ASN 27 1HD2 ASN 27 -0.034 -10.968 0.289
228 2HD2 ASN 27 2HD2 ASN 27 0.953 -12.316 0.726
229 H LYS 28 H LYS 28 1.474 -10.889 -2.708
230 HA LYS 28 HA LYS 28 -1.426 -10.557 -2.991
231 1HB LYS 28 1HB LYS 28 0.314 -9.856 -5.015
232 2HB LYS 28 2HB LYS 28 -0.149 -11.496 -5.449
233 1HG LYS 28 1HG LYS 28 -1.719 -10.196 -6.538
234 2HG LYS 28 2HG LYS 28 -2.563 -10.686 -5.068
235 1HD LYS 28 1HD LYS 28 -1.061 -8.230 -4.693
236 2HD LYS 28 2HD LYS 28 -2.232 -8.094 -6.007
237 1HE LYS 28 1HE LYS 28 -3.977 -8.965 -4.466
238 2HE LYS 28 2HE LYS 28 -2.789 -8.937 -3.164
239 1HZ LYS 28 1HZ LYS 28 -3.712 -6.577 -4.716
240 2HZ LYS 28 2HZ LYS 28 -2.568 -6.546 -3.469
241 3HZ LYS 28 3HZ LYS 28 -4.173 -6.963 -3.134
242 H LYS 29 H LYS 29 -2.559 -12.478 -3.617
243 HA LYS 29 HA LYS 29 -1.118 -14.927 -2.854
244 1HB LYS 29 1HB LYS 29 -3.326 -15.860 -2.290
245 2HB LYS 29 2HB LYS 29 -2.978 -14.397 -1.382
246 1HG LYS 29 1HG LYS 29 -5.056 -13.814 -1.974
247 2HG LYS 29 2HG LYS 29 -4.305 -13.366 -3.506
248 1HD LYS 29 1HD LYS 29 -5.174 -15.156 -4.613
249 2HD LYS 29 2HD LYS 29 -5.134 -16.194 -3.187
250 1HE LYS 29 1HE LYS 29 -6.982 -13.961 -2.908
251 2HE LYS 29 2HE LYS 29 -7.372 -15.000 -4.278
252 1HZ LYS 29 1HZ LYS 29 -8.463 -15.709 -2.221
253 2HZ LYS 29 2HZ LYS 29 -6.956 -15.946 -1.493
254 3HZ LYS 29 3HZ LYS 29 -7.415 -16.898 -2.813
Start of MODEL 27
1 H TYR 1 H TYR 1 -8.756 16.314 4.086
2 HA TYR 1 HA TYR 1 -6.204 14.917 3.678
3 1HB TYR 1 1HB TYR 1 -8.823 14.004 4.891
4 2HB TYR 1 2HB TYR 1 -7.280 13.160 4.938
5 HD1 TYR 1 HD1 TYR 1 -5.397 14.147 6.298
6 HD2 TYR 1 HD2 TYR 1 -9.387 15.608 6.527
7 HE1 TYR 1 HE1 TYR 1 -4.872 15.232 8.441
8 HE2 TYR 1 HE2 TYR 1 -8.872 16.697 8.670
9 HH TYR 1 HH TYR 1 -6.901 16.113 10.606
10 H LYS 2 H LYS 2 -6.496 15.292 1.324
11 HA LYS 2 HA LYS 2 -8.660 13.756 0.095
12 1HB LYS 2 1HB LYS 2 -6.562 15.529 -1.171
13 2HB LYS 2 2HB LYS 2 -7.895 14.760 -2.020
14 1HG LYS 2 1HG LYS 2 -8.163 16.818 0.165
15 2HG LYS 2 2HG LYS 2 -8.338 17.117 -1.565
16 1HD LYS 2 1HD LYS 2 -10.164 15.327 -1.509
17 2HD LYS 2 2HD LYS 2 -10.110 15.500 0.246
18 1HE LYS 2 1HE LYS 2 -11.698 17.059 -0.153
19 2HE LYS 2 2HE LYS 2 -10.294 18.083 -0.448
20 1HZ LYS 2 1HZ LYS 2 -11.871 16.647 -2.516
21 2HZ LYS 2 2HZ LYS 2 -10.495 17.583 -2.818
22 3HZ LYS 2 3HZ LYS 2 -11.899 18.313 -2.218
23 H PHE 3 H PHE 3 -6.174 12.586 1.471
24 HA PHE 3 HA PHE 3 -4.857 11.230 -0.721
25 1HB PHE 3 1HB PHE 3 -4.391 10.640 2.186
26 2HB PHE 3 2HB PHE 3 -3.282 10.530 0.845
27 HD1 PHE 3 HD1 PHE 3 -4.885 12.819 3.207
28 HD2 PHE 3 HD2 PHE 3 -2.021 12.418 0.087
29 HE1 PHE 3 HE1 PHE 3 -3.974 15.034 3.764
30 HE2 PHE 3 HE2 PHE 3 -1.105 14.633 0.638
31 HZ PHE 3 HZ PHE 3 -2.081 15.945 2.479
32 H ALA 4 H ALA 4 -5.817 9.498 -1.575
33 HA ALA 4 HA ALA 4 -7.082 7.554 0.234
34 1HB ALA 4 1HB ALA 4 -8.236 8.472 -2.397
35 2HB ALA 4 2HB ALA 4 -8.860 8.870 -0.796
36 3HB ALA 4 3HB ALA 4 -8.892 7.201 -1.365
37 H CYS 5 H CYS 5 -6.854 5.410 -0.307
38 HA CYS 5 HA CYS 5 -4.720 4.805 -2.172
39 1HB CYS 5 1HB CYS 5 -4.837 3.757 0.083
40 2HB CYS 5 2HB CYS 5 -6.306 2.931 -0.404
41 HG CYS 5 HG CYS 5 -4.753 1.150 -1.058
42 HA PRO 6 HA PRO 6 -7.438 3.686 -5.503
43 1HB PRO 6 1HB PRO 6 -5.701 2.221 -6.987
44 2HB PRO 6 2HB PRO 6 -5.631 3.984 -6.891
45 1HG PRO 6 1HG PRO 6 -4.004 1.941 -5.424
46 2HG PRO 6 2HG PRO 6 -3.476 3.448 -6.196
47 1HD PRO 6 1HD PRO 6 -3.872 3.238 -3.526
48 2HD PRO 6 2HD PRO 6 -4.161 4.748 -4.420
49 H GLU 7 H GLU 7 -5.881 1.365 -3.444
50 HA GLU 7 HA GLU 7 -7.480 -0.832 -4.523
51 1HB GLU 7 1HB GLU 7 -4.975 -0.634 -2.926
52 2HB GLU 7 2HB GLU 7 -5.984 -2.051 -2.699
53 1HG GLU 7 1HG GLU 7 -4.423 -2.662 -4.325
54 2HG GLU 7 2HG GLU 7 -5.909 -2.335 -5.215
55 H CYS 8 H CYS 8 -6.881 0.971 -1.520
56 HA CYS 8 HA CYS 8 -9.360 -0.191 -0.432
57 1HB CYS 8 1HB CYS 8 -8.359 -0.356 1.762
58 2HB CYS 8 2HB CYS 8 -7.366 -1.229 0.610
59 HG CYS 8 HG CYS 8 -5.493 0.347 0.981
60 HA PRO 9 HA PRO 9 -10.344 3.963 0.744
61 1HB PRO 9 1HB PRO 9 -12.167 3.555 2.635
62 2HB PRO 9 2HB PRO 9 -12.405 2.927 1.000
63 1HG PRO 9 1HG PRO 9 -11.607 1.488 3.485
64 2HG PRO 9 2HG PRO 9 -12.610 0.930 2.136
65 1HD PRO 9 1HD PRO 9 -9.857 0.404 2.531
66 2HD PRO 9 2HD PRO 9 -10.803 0.065 1.071
67 H LYS 10 H LYS 10 -7.832 3.683 1.847
68 HA LYS 10 HA LYS 10 -8.076 4.322 4.686
69 1HB LYS 10 1HB LYS 10 -5.527 4.022 3.091
70 2HB LYS 10 2HB LYS 10 -5.691 4.067 4.821
71 1HG LYS 10 1HG LYS 10 -7.057 1.935 3.254
72 2HG LYS 10 2HG LYS 10 -5.347 1.799 3.667
73 1HD LYS 10 1HD LYS 10 -6.095 0.854 5.562
74 2HD LYS 10 2HD LYS 10 -6.444 2.510 6.062
75 1HE LYS 10 1HE LYS 10 -8.442 1.383 6.466
76 2HE LYS 10 2HE LYS 10 -8.714 2.162 4.908
77 1HZ LYS 10 1HZ LYS 10 -7.994 -0.683 5.359
78 2HZ LYS 10 2HZ LYS 10 -8.116 0.043 3.837
79 3HZ LYS 10 3HZ LYS 10 -9.485 -0.091 4.821
80 H ARG 11 H ARG 11 -7.144 6.196 5.593
81 HA ARG 11 HA ARG 11 -6.619 8.419 3.742
82 1HB ARG 11 1HB ARG 11 -7.963 9.921 5.202
83 2HB ARG 11 2HB ARG 11 -8.925 8.694 4.391
84 1HG ARG 11 1HG ARG 11 -8.052 7.743 6.961
85 2HG ARG 11 2HG ARG 11 -8.873 9.297 7.117
86 1HD ARG 11 1HD ARG 11 -10.671 7.891 7.225
87 2HD ARG 11 2HD ARG 11 -10.603 8.162 5.485
88 HE ARG 11 HE ARG 11 -10.083 5.957 5.200
89 1HH1 ARG 11 1HH1 ARG 11 -9.501 6.789 8.553
90 2HH1 ARG 11 2HH1 ARG 11 -9.199 5.154 9.033
91 1HH2 ARG 11 1HH2 ARG 11 -9.687 3.805 5.842
92 2HH2 ARG 11 2HH2 ARG 11 -9.303 3.462 7.496
93 H PHE 12 H PHE 12 -4.932 9.691 4.304
94 HA PHE 12 HA PHE 12 -3.841 9.413 7.024
95 1HB PHE 12 1HB PHE 12 -2.254 9.385 4.479
96 2HB PHE 12 2HB PHE 12 -1.576 9.302 6.091
97 HD1 PHE 12 HD1 PHE 12 -4.216 7.545 4.132
98 HD2 PHE 12 HD2 PHE 12 -0.876 7.193 6.739
99 HE1 PHE 12 HE1 PHE 12 -4.413 5.116 4.037
100 HE2 PHE 12 HE2 PHE 12 -1.074 4.737 6.648
101 HZ PHE 12 HZ PHE 12 -2.855 3.700 5.280
102 H MET 13 H MET 13 -2.112 11.105 7.466
103 HA MET 13 HA MET 13 -3.226 13.697 6.834
104 1HB MET 13 1HB MET 13 -1.001 12.763 8.638
105 2HB MET 13 2HB MET 13 -1.288 14.472 8.337
106 1HG MET 13 1HG MET 13 -2.663 14.389 10.077
107 2HG MET 13 2HG MET 13 -3.784 13.556 9.000
108 1HE MET 13 1HE MET 13 -1.947 13.596 12.154
109 2HE MET 13 2HE MET 13 -0.626 12.684 11.420
110 3HE MET 13 3HE MET 13 -1.654 11.925 12.636
111 H ARG 14 H ARG 14 -0.250 11.904 6.152
112 HA ARG 14 HA ARG 14 0.687 14.099 4.445
113 1HB ARG 14 1HB ARG 14 2.028 11.792 5.792
114 2HB ARG 14 2HB ARG 14 2.755 12.463 4.342
115 1HG ARG 14 1HG ARG 14 3.825 13.646 5.990
116 2HG ARG 14 2HG ARG 14 2.498 14.733 5.579
117 1HD ARG 14 1HD ARG 14 1.949 14.733 7.736
118 2HD ARG 14 2HD ARG 14 1.452 13.051 7.535
119 HE ARG 14 HE ARG 14 3.276 12.416 8.745
120 1HH1 ARG 14 1HH1 ARG 14 3.818 15.688 7.614
121 2HH1 ARG 14 2HH1 ARG 14 5.281 15.887 8.518
122 1HH2 ARG 14 1HH2 ARG 14 5.200 12.689 9.936
123 2HH2 ARG 14 2HH2 ARG 14 6.066 14.186 9.835
124 H SER 15 H SER 15 1.749 13.447 2.378
125 HA SER 15 HA SER 15 -0.024 11.662 0.920
126 1HB SER 15 1HB SER 15 0.181 13.334 -0.519
127 2HB SER 15 2HB SER 15 1.631 13.966 0.256
128 HG SER 15 HG SER 15 1.366 12.184 -1.872
129 H ASP 16 H ASP 16 3.452 12.037 1.564
130 HA ASP 16 HA ASP 16 4.250 9.718 0.133
131 1HB ASP 16 1HB ASP 16 5.605 11.813 1.142
132 2HB ASP 16 2HB ASP 16 5.920 10.623 2.400
133 H HIS 17 H HIS 17 3.429 10.332 3.520
134 HA HIS 17 HA HIS 17 4.195 7.829 4.558
135 1HB HIS 17 1HB HIS 17 2.317 9.985 5.444
136 2HB HIS 17 2HB HIS 17 2.290 8.433 6.270
137 HD1 HIS 17 HD1 HIS 17 3.074 10.048 8.314
138 HD2 HIS 17 HD2 HIS 17 5.854 9.333 5.310
139 HE1 HIS 17 HE1 HIS 17 5.298 10.671 9.296
140 HE2 HIS 17 HE2 HIS 17 6.957 10.310 7.435
141 H LEU 18 H LEU 18 1.041 8.990 3.351
142 HA LEU 18 HA LEU 18 -0.430 6.659 3.796
143 1HB LEU 18 1HB LEU 18 -1.375 8.841 3.123
144 2HB LEU 18 2HB LEU 18 -0.724 8.620 1.523
145 HG LEU 18 HG LEU 18 -2.584 6.565 2.631
146 1HD1 LEU 18 1HD1 LEU 18 -3.786 8.749 1.070
147 2HD1 LEU 18 2HD1 LEU 18 -3.371 9.122 2.742
148 3HD1 LEU 18 3HD1 LEU 18 -4.460 7.782 2.380
149 1HD2 LEU 18 1HD2 LEU 18 -1.354 7.173 0.114
150 2HD2 LEU 18 2HD2 LEU 18 -3.111 7.165 -0.040
151 3HD2 LEU 18 3HD2 LEU 18 -2.273 5.748 0.602
152 H THR 19 H THR 19 1.548 7.657 1.031
153 HA THR 19 HA THR 19 0.957 5.475 -0.611
154 HB THR 19 HB THR 19 3.514 7.096 -0.530
155 HG1 THR 19 HG1 THR 19 2.175 8.616 -1.088
156 1HG2 THR 19 1HG2 THR 19 3.585 6.601 -2.972
157 2HG2 THR 19 2HG2 THR 19 2.318 5.403 -2.706
158 3HG2 THR 19 3HG2 THR 19 3.889 5.213 -1.928
159 H LEU 20 H LEU 20 3.305 5.915 1.980
160 HA LEU 20 HA LEU 20 4.877 3.624 1.552
161 1HB LEU 20 1HB LEU 20 5.337 5.513 3.164
162 2HB LEU 20 2HB LEU 20 4.142 4.807 4.233
163 HG LEU 20 HG LEU 20 5.652 2.658 3.993
164 1HD1 LEU 20 1HD1 LEU 20 7.625 4.878 3.481
165 2HD1 LEU 20 2HD1 LEU 20 7.134 3.658 2.306
166 3HD1 LEU 20 3HD1 LEU 20 8.005 3.180 3.763
167 1HD2 LEU 20 1HD2 LEU 20 6.376 5.041 5.697
168 2HD2 LEU 20 2HD2 LEU 20 6.900 3.381 5.983
169 3HD2 LEU 20 3HD2 LEU 20 5.189 3.795 6.085
170 H HIS 21 H HIS 21 1.794 4.115 3.162
171 HA HIS 21 HA HIS 21 1.471 1.639 4.409
172 1HB HIS 21 1HB HIS 21 -0.458 2.612 5.019
173 2HB HIS 21 2HB HIS 21 -0.043 3.981 4.028
174 HD1 HIS 21 HD1 HIS 21 -2.152 4.619 2.838
175 HD2 HIS 21 HD2 HIS 21 -1.560 0.520 2.857
176 HE1 HIS 21 HE1 HIS 21 -4.063 3.606 1.535
177 H ILE 22 H ILE 22 0.504 2.735 1.212
178 HA ILE 22 HA ILE 22 -0.825 0.431 0.406
179 HB ILE 22 HB ILE 22 0.608 2.258 -1.513
180 1HG1 ILE 22 1HG1 ILE 22 -2.198 2.803 -0.710
181 2HG1 ILE 22 2HG1 ILE 22 -0.962 3.261 0.439
182 1HG2 ILE 22 1HG2 ILE 22 -0.928 1.573 -3.095
183 2HG2 ILE 22 2HG2 ILE 22 -2.115 1.091 -1.880
184 3HG2 ILE 22 3HG2 ILE 22 -0.695 0.087 -2.175
185 1HD1 ILE 22 1HD1 ILE 22 -0.951 5.167 -0.696
186 2HD1 ILE 22 2HD1 ILE 22 -1.703 4.443 -2.116
187 3HD1 ILE 22 3HD1 ILE 22 0.034 4.281 -1.860
188 H LEU 23 H LEU 23 2.449 0.628 1.054
189 HA LEU 23 HA LEU 23 3.521 -0.993 -1.000
190 1HB LEU 23 1HB LEU 23 4.710 0.495 0.756
191 2HB LEU 23 2HB LEU 23 4.610 -0.927 1.767
192 HG LEU 23 HG LEU 23 5.712 -1.496 -0.875
193 1HD1 LEU 23 1HD1 LEU 23 6.617 0.731 -0.686
194 2HD1 LEU 23 2HD1 LEU 23 7.897 -0.449 -0.402
195 3HD1 LEU 23 3HD1 LEU 23 7.166 0.404 0.958
196 1HD2 LEU 23 1HD2 LEU 23 7.359 -2.697 0.450
197 2HD2 LEU 23 2HD2 LEU 23 5.729 -3.064 1.013
198 3HD2 LEU 23 3HD2 LEU 23 6.745 -1.947 1.924
199 H LEU 24 H LEU 24 1.943 -1.729 2.084
200 HA LEU 24 HA LEU 24 2.691 -4.451 2.193
201 1HB LEU 24 1HB LEU 24 0.395 -4.584 3.530
202 2HB LEU 24 2HB LEU 24 1.884 -3.982 4.221
203 HG LEU 24 HG LEU 24 1.090 -1.663 3.660
204 1HD1 LEU 24 1HD1 LEU 24 -1.453 -3.168 3.067
205 2HD1 LEU 24 2HD1 LEU 24 -0.563 -2.100 1.984
206 3HD1 LEU 24 3HD1 LEU 24 -1.389 -1.435 3.391
207 1HD2 LEU 24 1HD2 LEU 24 0.086 -1.477 5.697
208 2HD2 LEU 24 2HD2 LEU 24 0.840 -3.063 5.855
209 3HD2 LEU 24 3HD2 LEU 24 -0.878 -2.937 5.479
210 H HIS 25 H HIS 25 0.241 -2.852 0.309
211 HA HIS 25 HA HIS 25 -1.565 -4.909 -0.137
212 1HB HIS 25 1HB HIS 25 -0.637 -2.626 -1.856
213 2HB HIS 25 2HB HIS 25 -1.783 -3.806 -2.483
214 HD1 HIS 25 HD1 HIS 25 -3.994 -4.098 -0.741
215 HD2 HIS 25 HD2 HIS 25 -1.826 -0.560 -0.672
216 HE1 HIS 25 HE1 HIS 25 -5.494 -2.363 0.337
217 H GLU 26 H GLU 26 1.474 -4.231 -1.864
218 HA GLU 26 HA GLU 26 1.210 -6.748 -3.329
219 1HB GLU 26 1HB GLU 26 3.152 -4.447 -3.587
220 2HB GLU 26 2HB GLU 26 3.276 -5.928 -4.525
221 1HG GLU 26 1HG GLU 26 0.997 -3.963 -4.569
222 2HG GLU 26 2HG GLU 26 2.208 -4.203 -5.827
223 H ASN 27 H ASN 27 1.603 -6.999 -0.556
224 HA ASN 27 HA ASN 27 3.892 -8.705 -0.511
225 1HB ASN 27 1HB ASN 27 4.734 -6.265 -0.092
226 2HB ASN 27 2HB ASN 27 4.035 -6.484 1.508
227 1HD2 ASN 27 1HD2 ASN 27 5.232 -7.448 3.011
228 2HD2 ASN 27 2HD2 ASN 27 6.698 -8.314 2.719
229 H LYS 28 H LYS 28 1.314 -9.378 -0.150
230 HA LYS 28 HA LYS 28 1.298 -10.315 2.595
231 1HB LYS 28 1HB LYS 28 -0.039 -8.030 2.220
232 2HB LYS 28 2HB LYS 28 -1.290 -9.147 1.697
233 1HG LYS 28 1HG LYS 28 -0.204 -10.130 4.127
234 2HG LYS 28 2HG LYS 28 -0.553 -8.413 4.333
235 1HD LYS 28 1HD LYS 28 -2.584 -9.329 4.889
236 2HD LYS 28 2HD LYS 28 -2.814 -9.054 3.162
237 1HE LYS 28 1HE LYS 28 -2.780 -11.271 2.665
238 2HE LYS 28 2HE LYS 28 -1.646 -11.656 3.959
239 1HZ LYS 28 1HZ LYS 28 -3.849 -12.582 4.369
240 2HZ LYS 28 2HZ LYS 28 -4.527 -11.033 4.333
241 3HZ LYS 28 3HZ LYS 28 -3.436 -11.449 5.556
242 H LYS 29 H LYS 29 1.575 -12.367 1.716
243 HA LYS 29 HA LYS 29 -0.829 -13.726 0.990
244 1HB LYS 29 1HB LYS 29 0.163 -14.633 -1.192
245 2HB LYS 29 2HB LYS 29 -0.502 -13.007 -1.221
246 1HG LYS 29 1HG LYS 29 2.036 -12.399 -0.663
247 2HG LYS 29 2HG LYS 29 2.294 -13.923 -1.514
248 1HD LYS 29 1HD LYS 29 2.393 -12.262 -3.178
249 2HD LYS 29 2HD LYS 29 0.789 -12.980 -3.338
250 1HE LYS 29 1HE LYS 29 -0.041 -10.919 -3.198
251 2HE LYS 29 2HE LYS 29 0.451 -10.917 -1.506
252 1HZ LYS 29 1HZ LYS 29 2.137 -9.995 -3.772
253 2HZ LYS 29 2HZ LYS 29 2.552 -9.937 -2.133
254 3HZ LYS 29 3HZ LYS 29 1.283 -8.984 -2.718
Start of MODEL 28
1 H TYR 1 H TYR 1 -7.211 14.482 6.424
2 HA TYR 1 HA TYR 1 -7.530 12.249 5.433
3 1HB TYR 1 1HB TYR 1 -10.335 13.279 4.958
4 2HB TYR 1 2HB TYR 1 -9.689 11.693 4.554
5 HD1 TYR 1 HD1 TYR 1 -11.862 13.250 6.668
6 HD2 TYR 1 HD2 TYR 1 -8.579 10.549 6.829
7 HE1 TYR 1 HE1 TYR 1 -12.688 12.382 8.816
8 HE2 TYR 1 HE2 TYR 1 -9.396 9.674 8.976
9 HH TYR 1 HH TYR 1 -11.219 11.034 10.944
10 H LYS 2 H LYS 2 -6.023 13.184 4.086
11 HA LYS 2 HA LYS 2 -6.895 15.253 2.216
12 1HB LYS 2 1HB LYS 2 -4.745 15.508 3.443
13 2HB LYS 2 2HB LYS 2 -4.136 14.083 2.613
14 1HG LYS 2 1HG LYS 2 -3.416 15.393 0.985
15 2HG LYS 2 2HG LYS 2 -5.091 15.797 0.608
16 1HD LYS 2 1HD LYS 2 -3.774 17.231 2.857
17 2HD LYS 2 2HD LYS 2 -3.305 17.658 1.210
18 1HE LYS 2 1HE LYS 2 -5.931 17.708 0.868
19 2HE LYS 2 2HE LYS 2 -5.908 18.013 2.605
20 1HZ LYS 2 1HZ LYS 2 -4.449 19.902 2.214
21 2HZ LYS 2 2HZ LYS 2 -5.890 20.071 1.346
22 3HZ LYS 2 3HZ LYS 2 -4.473 19.606 0.548
23 H PHE 3 H PHE 3 -5.116 12.152 2.030
24 HA PHE 3 HA PHE 3 -6.043 11.872 -0.739
25 1HB PHE 3 1HB PHE 3 -3.602 11.038 0.734
26 2HB PHE 3 2HB PHE 3 -4.184 9.968 -0.525
27 HD1 PHE 3 HD1 PHE 3 -4.355 10.793 -2.866
28 HD2 PHE 3 HD2 PHE 3 -2.524 13.076 0.224
29 HE1 PHE 3 HE1 PHE 3 -3.253 12.195 -4.560
30 HE2 PHE 3 HE2 PHE 3 -1.420 14.484 -1.464
31 HZ PHE 3 HZ PHE 3 -1.784 14.044 -3.860
32 H ALA 4 H ALA 4 -6.076 9.410 -1.364
33 HA ALA 4 HA ALA 4 -7.173 7.668 0.669
34 1HB ALA 4 1HB ALA 4 -9.156 8.921 0.081
35 2HB ALA 4 2HB ALA 4 -9.289 7.279 -0.549
36 3HB ALA 4 3HB ALA 4 -8.882 8.610 -1.633
37 H CYS 5 H CYS 5 -6.838 5.541 0.181
38 HA CYS 5 HA CYS 5 -5.119 4.897 -1.977
39 1HB CYS 5 1HB CYS 5 -5.367 3.700 0.296
40 2HB CYS 5 2HB CYS 5 -6.708 2.849 -0.454
41 HG CYS 5 HG CYS 5 -3.816 2.633 -1.578
42 HA PRO 6 HA PRO 6 -8.147 4.169 -5.149
43 1HB PRO 6 1HB PRO 6 -6.546 2.964 -6.959
44 2HB PRO 6 2HB PRO 6 -6.447 4.695 -6.618
45 1HG PRO 6 1HG PRO 6 -4.719 2.466 -5.615
46 2HG PRO 6 2HG PRO 6 -4.247 4.075 -6.193
47 1HD PRO 6 1HD PRO 6 -4.444 3.432 -3.553
48 2HD PRO 6 2HD PRO 6 -4.714 5.071 -4.178
49 H GLU 7 H GLU 7 -6.295 1.655 -3.600
50 HA GLU 7 HA GLU 7 -7.979 -0.446 -4.747
51 1HB GLU 7 1HB GLU 7 -5.477 -0.695 -4.679
52 2HB GLU 7 2HB GLU 7 -5.588 -0.755 -2.925
53 1HG GLU 7 1HG GLU 7 -7.414 -2.641 -4.061
54 2HG GLU 7 2HG GLU 7 -5.810 -2.874 -4.753
55 H CYS 8 H CYS 8 -6.862 0.695 -1.543
56 HA CYS 8 HA CYS 8 -9.157 -0.691 -0.326
57 1HB CYS 8 1HB CYS 8 -7.952 -0.750 1.715
58 2HB CYS 8 2HB CYS 8 -6.817 -1.216 0.463
59 HG CYS 8 HG CYS 8 -5.370 0.597 1.208
60 HA PRO 9 HA PRO 9 -10.869 3.157 1.008
61 1HB PRO 9 1HB PRO 9 -12.150 2.477 3.249
62 2HB PRO 9 2HB PRO 9 -12.567 1.742 1.699
63 1HG PRO 9 1HG PRO 9 -11.018 0.611 3.973
64 2HG PRO 9 2HG PRO 9 -12.110 -0.202 2.842
65 1HD PRO 9 1HD PRO 9 -9.292 -0.126 2.707
66 2HD PRO 9 2HD PRO 9 -10.390 -0.706 1.448
67 H LYS 10 H LYS 10 -8.050 3.047 1.811
68 HA LYS 10 HA LYS 10 -8.014 4.079 4.528
69 1HB LYS 10 1HB LYS 10 -5.791 3.578 2.547
70 2HB LYS 10 2HB LYS 10 -5.539 4.269 4.126
71 1HG LYS 10 1HG LYS 10 -7.021 1.725 4.059
72 2HG LYS 10 2HG LYS 10 -5.315 1.661 3.613
73 1HD LYS 10 1HD LYS 10 -5.028 3.116 5.786
74 2HD LYS 10 2HD LYS 10 -6.577 2.387 6.216
75 1HE LYS 10 1HE LYS 10 -4.920 0.981 7.138
76 2HE LYS 10 2HE LYS 10 -5.518 0.148 5.705
77 1HZ LYS 10 1HZ LYS 10 -3.018 0.232 6.052
78 2HZ LYS 10 2HZ LYS 10 -3.106 1.860 5.607
79 3HZ LYS 10 3HZ LYS 10 -3.590 0.658 4.519
80 H ARG 11 H ARG 11 -6.885 6.105 5.004
81 HA ARG 11 HA ARG 11 -6.820 8.118 2.913
82 1HB ARG 11 1HB ARG 11 -8.241 9.668 4.387
83 2HB ARG 11 2HB ARG 11 -9.080 8.437 3.454
84 1HG ARG 11 1HG ARG 11 -8.759 7.063 5.707
85 2HG ARG 11 2HG ARG 11 -8.725 8.690 6.383
86 1HD ARG 11 1HD ARG 11 -10.919 8.985 6.063
87 2HD ARG 11 2HD ARG 11 -10.857 8.312 4.435
88 HE ARG 11 HE ARG 11 -10.657 6.315 6.483
89 1HH1 ARG 11 1HH1 ARG 11 -12.905 8.257 4.626
90 2HH1 ARG 11 2HH1 ARG 11 -14.213 7.139 4.812
91 1HH2 ARG 11 1HH2 ARG 11 -12.385 4.847 6.721
92 2HH2 ARG 11 2HH2 ARG 11 -13.918 5.204 6.001
93 H PHE 12 H PHE 12 -5.182 9.518 3.246
94 HA PHE 12 HA PHE 12 -4.190 9.906 5.983
95 1HB PHE 12 1HB PHE 12 -2.299 9.434 3.718
96 2HB PHE 12 2HB PHE 12 -1.940 9.444 5.428
97 HD1 PHE 12 HD1 PHE 12 -4.165 7.605 3.066
98 HD2 PHE 12 HD2 PHE 12 -1.509 7.397 6.382
99 HE1 PHE 12 HE1 PHE 12 -4.401 5.171 3.091
100 HE2 PHE 12 HE2 PHE 12 -1.746 4.946 6.415
101 HZ PHE 12 HZ PHE 12 -3.193 3.832 4.754
102 H MET 13 H MET 13 -3.358 11.892 6.427
103 HA MET 13 HA MET 13 -3.935 14.001 4.567
104 1HB MET 13 1HB MET 13 -3.105 15.506 6.335
105 2HB MET 13 2HB MET 13 -4.311 14.378 6.935
106 1HG MET 13 1HG MET 13 -2.054 13.007 7.474
107 2HG MET 13 2HG MET 13 -1.469 14.661 7.624
108 1HE MET 13 1HE MET 13 -3.567 11.850 8.847
109 2HE MET 13 2HE MET 13 -5.011 12.858 8.761
110 3HE MET 13 3HE MET 13 -4.344 12.403 10.329
111 H ARG 14 H ARG 14 -1.219 12.020 5.187
112 HA ARG 14 HA ARG 14 0.650 13.937 3.993
113 1HB ARG 14 1HB ARG 14 1.230 11.223 5.204
114 2HB ARG 14 2HB ARG 14 2.416 12.416 4.697
115 1HG ARG 14 1HG ARG 14 2.407 12.812 6.934
116 2HG ARG 14 2HG ARG 14 1.138 13.930 6.436
117 1HD ARG 14 1HD ARG 14 0.429 12.678 8.387
118 2HD ARG 14 2HD ARG 14 -0.551 12.236 6.988
119 HE ARG 14 HE ARG 14 1.734 10.543 7.649
120 1HH1 ARG 14 1HH1 ARG 14 -1.744 10.981 7.643
121 2HH1 ARG 14 2HH1 ARG 14 -2.075 9.303 7.898
122 1HH2 ARG 14 1HH2 ARG 14 1.285 8.336 7.990
123 2HH2 ARG 14 2HH2 ARG 14 -0.359 7.802 8.097
124 H SER 15 H SER 15 2.036 13.237 2.241
125 HA SER 15 HA SER 15 0.601 11.500 0.384
126 1HB SER 15 1HB SER 15 1.072 13.204 -0.949
127 2HB SER 15 2HB SER 15 2.322 13.836 0.119
128 HG SER 15 HG SER 15 3.800 12.830 -1.019
129 H ASP 16 H ASP 16 3.891 11.925 1.683
130 HA ASP 16 HA ASP 16 4.939 9.600 0.423
131 1HB ASP 16 1HB ASP 16 6.088 11.738 1.594
132 2HB ASP 16 2HB ASP 16 6.234 10.566 2.898
133 H HIS 17 H HIS 17 3.911 10.260 3.774
134 HA HIS 17 HA HIS 17 4.432 7.694 4.788
135 1HB HIS 17 1HB HIS 17 2.607 9.920 5.645
136 2HB HIS 17 2HB HIS 17 2.569 8.368 6.471
137 HD1 HIS 17 HD1 HIS 17 3.397 9.727 8.590
138 HD2 HIS 17 HD2 HIS 17 6.098 9.503 5.441
139 HE1 HIS 17 HE1 HIS 17 5.605 10.430 9.548
140 HE2 HIS 17 HE2 HIS 17 7.209 10.370 7.609
141 H LEU 18 H LEU 18 1.574 9.036 3.183
142 HA LEU 18 HA LEU 18 -0.192 6.907 3.631
143 1HB LEU 18 1HB LEU 18 -0.844 9.089 2.721
144 2HB LEU 18 2HB LEU 18 0.011 8.739 1.243
145 HG LEU 18 HG LEU 18 -2.211 6.962 2.170
146 1HD1 LEU 18 1HD1 LEU 18 -2.763 9.514 1.995
147 2HD1 LEU 18 2HD1 LEU 18 -3.850 8.306 1.310
148 3HD1 LEU 18 3HD1 LEU 18 -2.729 9.179 0.265
149 1HD2 LEU 18 1HD2 LEU 18 -2.276 7.185 -0.558
150 2HD2 LEU 18 2HD2 LEU 18 -1.512 5.881 0.357
151 3HD2 LEU 18 3HD2 LEU 18 -0.550 7.253 -0.198
152 H THR 19 H THR 19 2.074 7.526 0.956
153 HA THR 19 HA THR 19 1.454 5.236 -0.516
154 HB THR 19 HB THR 19 4.130 6.651 -0.388
155 HG1 THR 19 HG1 THR 19 1.821 7.187 -1.944
156 1HG2 THR 19 1HG2 THR 19 4.278 5.972 -2.784
157 2HG2 THR 19 2HG2 THR 19 2.898 4.910 -2.504
158 3HG2 THR 19 3HG2 THR 19 4.405 4.648 -1.627
159 H LEU 20 H LEU 20 3.540 5.739 2.260
160 HA LEU 20 HA LEU 20 5.044 3.375 2.169
161 1HB LEU 20 1HB LEU 20 5.318 5.374 3.725
162 2HB LEU 20 2HB LEU 20 4.035 4.681 4.693
163 HG LEU 20 HG LEU 20 5.446 2.618 4.949
164 1HD1 LEU 20 1HD1 LEU 20 7.882 2.914 4.523
165 2HD1 LEU 20 2HD1 LEU 20 7.497 4.378 3.618
166 3HD1 LEU 20 3HD1 LEU 20 6.901 2.814 3.061
167 1HD2 LEU 20 1HD2 LEU 20 5.295 4.367 6.677
168 2HD2 LEU 20 2HD2 LEU 20 6.681 5.180 5.951
169 3HD2 LEU 20 3HD2 LEU 20 6.871 3.575 6.656
170 H HIS 21 H HIS 21 1.775 4.037 3.253
171 HA HIS 21 HA HIS 21 1.234 1.621 4.583
172 1HB HIS 21 1HB HIS 21 -0.731 2.651 4.928
173 2HB HIS 21 2HB HIS 21 -0.142 3.999 3.999
174 HD1 HIS 21 HD1 HIS 21 -1.937 4.706 2.421
175 HD2 HIS 21 HD2 HIS 21 -1.717 0.584 2.761
176 HE1 HIS 21 HE1 HIS 21 -3.743 3.759 0.930
177 H ILE 22 H ILE 22 0.684 2.646 1.262
178 HA ILE 22 HA ILE 22 -0.610 0.345 0.370
179 HB ILE 22 HB ILE 22 1.091 2.086 -1.404
180 1HG1 ILE 22 1HG1 ILE 22 -1.783 2.700 -0.977
181 2HG1 ILE 22 2HG1 ILE 22 -0.694 3.162 0.312
182 1HG2 ILE 22 1HG2 ILE 22 -0.407 -0.120 -1.995
183 2HG2 ILE 22 2HG2 ILE 22 -0.018 1.171 -3.131
184 3HG2 ILE 22 3HG2 ILE 22 -1.558 1.188 -2.267
185 1HD1 ILE 22 1HD1 ILE 22 -1.125 4.343 -2.294
186 2HD1 ILE 22 2HD1 ILE 22 0.580 4.083 -1.925
187 3HD1 ILE 22 3HD1 ILE 22 -0.426 5.031 -0.831
188 H LEU 23 H LEU 23 2.591 0.521 1.380
189 HA LEU 23 HA LEU 23 3.875 -1.160 -0.483
190 1HB LEU 23 1HB LEU 23 4.411 -0.212 2.261
191 2HB LEU 23 2HB LEU 23 5.169 -1.732 1.834
192 HG LEU 23 HG LEU 23 6.195 -0.614 -0.144
193 1HD1 LEU 23 1HD1 LEU 23 4.950 1.830 1.098
194 2HD1 LEU 23 2HD1 LEU 23 4.692 1.194 -0.527
195 3HD1 LEU 23 3HD1 LEU 23 6.253 1.886 -0.088
196 1HD2 LEU 23 1HD2 LEU 23 6.831 0.685 2.502
197 2HD2 LEU 23 2HD2 LEU 23 7.906 0.547 1.112
198 3HD2 LEU 23 3HD2 LEU 23 7.403 -0.900 1.985
199 H LEU 24 H LEU 24 1.870 -1.842 2.371
200 HA LEU 24 HA LEU 24 2.435 -4.604 2.525
201 1HB LEU 24 1HB LEU 24 -0.079 -4.616 3.445
202 2HB LEU 24 2HB LEU 24 1.310 -4.163 4.403
203 HG LEU 24 HG LEU 24 0.786 -1.760 3.776
204 1HD1 LEU 24 1HD1 LEU 24 -1.731 -1.486 3.301
205 2HD1 LEU 24 2HD1 LEU 24 -1.648 -3.142 2.699
206 3HD1 LEU 24 3HD1 LEU 24 -0.668 -1.882 1.951
207 1HD2 LEU 24 1HD2 LEU 24 -1.456 -2.960 5.316
208 2HD2 LEU 24 2HD2 LEU 24 -0.487 -1.527 5.664
209 3HD2 LEU 24 3HD2 LEU 24 0.198 -3.135 5.902
210 H HIS 25 H HIS 25 0.242 -2.807 0.464
211 HA HIS 25 HA HIS 25 -1.378 -4.912 -0.427
212 1HB HIS 25 1HB HIS 25 -0.520 -2.337 -1.745
213 2HB HIS 25 2HB HIS 25 -1.629 -3.463 -2.519
214 HD1 HIS 25 HD1 HIS 25 -3.387 -4.168 -0.040
215 HD2 HIS 25 HD2 HIS 25 -2.219 -0.332 -1.121
216 HE1 HIS 25 HE1 HIS 25 -5.084 -2.592 0.976
217 H GLU 26 H GLU 26 1.692 -3.662 -1.719
218 HA GLU 26 HA GLU 26 1.855 -5.457 -3.898
219 1HB GLU 26 1HB GLU 26 3.164 -3.276 -3.502
220 2HB GLU 26 2HB GLU 26 4.242 -4.251 -2.514
221 1HG GLU 26 1HG GLU 26 5.252 -4.152 -4.619
222 2HG GLU 26 2HG GLU 26 4.512 -5.750 -4.538
223 H ASN 27 H ASN 27 3.174 -5.561 -0.602
224 HA ASN 27 HA ASN 27 4.309 -8.200 -1.054
225 1HB ASN 27 1HB ASN 27 5.349 -6.279 0.360
226 2HB ASN 27 2HB ASN 27 4.224 -6.802 1.609
227 1HD2 ASN 27 1HD2 ASN 27 7.186 -7.395 0.038
228 2HD2 ASN 27 2HD2 ASN 27 7.613 -8.838 0.887
229 H LYS 28 H LYS 28 2.105 -9.054 -1.526
230 HA LYS 28 HA LYS 28 1.062 -10.384 0.801
231 1HB LYS 28 1HB LYS 28 -0.085 -7.995 0.411
232 2HB LYS 28 2HB LYS 28 -1.063 -8.944 -0.699
233 1HG LYS 28 1HG LYS 28 -1.899 -10.299 1.017
234 2HG LYS 28 2HG LYS 28 -0.643 -9.788 2.147
235 1HD LYS 28 1HD LYS 28 -1.604 -7.498 2.098
236 2HD LYS 28 2HD LYS 28 -2.913 -8.109 1.084
237 1HE LYS 28 1HE LYS 28 -3.916 -8.288 3.121
238 2HE LYS 28 2HE LYS 28 -3.130 -9.863 3.055
239 1HZ LYS 28 1HZ LYS 28 -2.092 -7.447 4.439
240 2HZ LYS 28 2HZ LYS 28 -1.284 -8.930 4.338
241 3HZ LYS 28 3HZ LYS 28 -2.747 -8.820 5.180
242 H LYS 29 H LYS 29 -0.376 -12.120 0.286
243 HA LYS 29 HA LYS 29 0.194 -13.344 -2.230
244 1HB LYS 29 1HB LYS 29 -1.066 -14.113 0.288
245 2HB LYS 29 2HB LYS 29 -1.879 -14.807 -1.107
246 1HG LYS 29 1HG LYS 29 -0.289 -16.399 -0.491
247 2HG LYS 29 2HG LYS 29 0.429 -15.566 -1.872
248 1HD LYS 29 1HD LYS 29 2.198 -15.649 -0.380
249 2HD LYS 29 2HD LYS 29 1.518 -14.053 -0.057
250 1HE LYS 29 1HE LYS 29 1.626 -14.766 2.086
251 2HE LYS 29 2HE LYS 29 0.079 -15.505 1.678
252 1HZ LYS 29 1HZ LYS 29 2.727 -16.851 1.593
253 2HZ LYS 29 2HZ LYS 29 1.253 -17.566 1.173
254 3HZ LYS 29 3HZ LYS 29 1.532 -17.083 2.769
Start of MODEL 29
1 H TYR 1 H TYR 1 -6.558 14.144 6.207
2 HA TYR 1 HA TYR 1 -6.325 12.276 4.565
3 1HB TYR 1 1HB TYR 1 -8.620 11.542 5.078
4 2HB TYR 1 2HB TYR 1 -7.861 12.294 6.475
5 HD1 TYR 1 HD1 TYR 1 -10.653 12.355 4.215
6 HD2 TYR 1 HD2 TYR 1 -8.500 14.682 7.054
7 HE1 TYR 1 HE1 TYR 1 -12.579 13.866 4.430
8 HE2 TYR 1 HE2 TYR 1 -10.420 16.199 7.275
9 HH TYR 1 HH TYR 1 -12.665 16.629 5.287
10 H LYS 2 H LYS 2 -6.100 14.445 2.750
11 HA LYS 2 HA LYS 2 -8.352 14.437 0.966
12 1HB LYS 2 1HB LYS 2 -5.920 15.942 1.264
13 2HB LYS 2 2HB LYS 2 -6.084 15.409 -0.403
14 1HG LYS 2 1HG LYS 2 -8.398 16.687 0.987
15 2HG LYS 2 2HG LYS 2 -7.093 17.680 0.334
16 1HD LYS 2 1HD LYS 2 -7.503 16.963 -1.867
17 2HD LYS 2 2HD LYS 2 -8.479 15.595 -1.327
18 1HE LYS 2 1HE LYS 2 -10.239 16.902 -1.773
19 2HE LYS 2 2HE LYS 2 -9.831 17.728 -0.270
20 1HZ LYS 2 1HZ LYS 2 -8.932 18.513 -2.991
21 2HZ LYS 2 2HZ LYS 2 -8.490 19.294 -1.557
22 3HZ LYS 2 3HZ LYS 2 -10.105 19.304 -2.062
23 H PHE 3 H PHE 3 -5.583 12.425 1.380
24 HA PHE 3 HA PHE 3 -5.635 11.436 -1.353
25 1HB PHE 3 1HB PHE 3 -3.802 11.255 0.938
26 2HB PHE 3 2HB PHE 3 -3.960 9.766 0.024
27 HD1 PHE 3 HD1 PHE 3 -3.724 9.994 -2.564
28 HD2 PHE 3 HD2 PHE 3 -2.294 12.853 0.246
29 HE1 PHE 3 HE1 PHE 3 -2.151 10.856 -4.247
30 HE2 PHE 3 HE2 PHE 3 -0.719 13.722 -1.432
31 HZ PHE 3 HZ PHE 3 -0.647 12.723 -3.683
32 H ALA 4 H ALA 4 -5.726 9.077 -1.745
33 HA ALA 4 HA ALA 4 -7.064 7.401 0.178
34 1HB ALA 4 1HB ALA 4 -9.040 6.969 -1.274
35 2HB ALA 4 2HB ALA 4 -8.549 8.336 -2.274
36 3HB ALA 4 3HB ALA 4 -9.000 8.593 -0.588
37 H CYS 5 H CYS 5 -6.667 5.277 -0.209
38 HA CYS 5 HA CYS 5 -4.829 4.587 -2.285
39 1HB CYS 5 1HB CYS 5 -4.874 3.539 -0.001
40 2HB CYS 5 2HB CYS 5 -6.346 2.704 -0.469
41 HG CYS 5 HG CYS 5 -3.931 1.391 -0.808
42 HA PRO 6 HA PRO 6 -7.787 3.500 -5.418
43 1HB PRO 6 1HB PRO 6 -6.187 2.045 -7.042
44 2HB PRO 6 2HB PRO 6 -6.068 3.804 -6.916
45 1HG PRO 6 1HG PRO 6 -4.392 1.695 -5.610
46 2HG PRO 6 2HG PRO 6 -3.883 3.205 -6.384
47 1HD PRO 6 1HD PRO 6 -4.110 2.932 -3.692
48 2HD PRO 6 2HD PRO 6 -4.388 4.473 -4.531
49 H GLU 7 H GLU 7 -6.223 1.201 -3.385
50 HA GLU 7 HA GLU 7 -7.887 -0.994 -4.404
51 1HB GLU 7 1HB GLU 7 -5.207 -0.836 -3.305
52 2HB GLU 7 2HB GLU 7 -6.186 -2.000 -2.424
53 1HG GLU 7 1HG GLU 7 -6.783 -2.992 -4.676
54 2HG GLU 7 2HG GLU 7 -5.503 -1.982 -5.346
55 H CYS 8 H CYS 8 -6.937 0.646 -1.383
56 HA CYS 8 HA CYS 8 -9.383 -0.428 -0.130
57 1HB CYS 8 1HB CYS 8 -8.223 -0.376 2.010
58 2HB CYS 8 2HB CYS 8 -7.324 -1.345 0.853
59 HG CYS 8 HG CYS 8 -5.516 0.068 1.855
60 HA PRO 9 HA PRO 9 -10.449 3.756 0.839
61 1HB PRO 9 1HB PRO 9 -12.134 3.417 2.874
62 2HB PRO 9 2HB PRO 9 -12.463 2.704 1.291
63 1HG PRO 9 1HG PRO 9 -11.493 1.408 3.789
64 2HG PRO 9 2HG PRO 9 -12.544 0.759 2.520
65 1HD PRO 9 1HD PRO 9 -9.758 0.329 2.807
66 2HD PRO 9 2HD PRO 9 -10.767 -0.123 1.421
67 H LYS 10 H LYS 10 -7.834 3.347 1.934
68 HA LYS 10 HA LYS 10 -7.945 4.260 4.687
69 1HB LYS 10 1HB LYS 10 -5.482 3.943 2.967
70 2HB LYS 10 2HB LYS 10 -5.553 4.081 4.700
71 1HG LYS 10 1HG LYS 10 -7.040 1.834 3.501
72 2HG LYS 10 2HG LYS 10 -5.277 1.754 3.464
73 1HD LYS 10 1HD LYS 10 -5.163 2.003 5.857
74 2HD LYS 10 2HD LYS 10 -6.905 2.267 5.950
75 1HE LYS 10 1HE LYS 10 -6.567 0.024 6.589
76 2HE LYS 10 2HE LYS 10 -7.171 -0.038 4.935
77 1HZ LYS 10 1HZ LYS 10 -5.282 -1.542 5.343
78 2HZ LYS 10 2HZ LYS 10 -4.299 -0.206 5.676
79 3HZ LYS 10 3HZ LYS 10 -4.958 -0.407 4.131
80 H ARG 11 H ARG 11 -7.026 6.215 5.420
81 HA ARG 11 HA ARG 11 -6.627 8.323 3.416
82 1HB ARG 11 1HB ARG 11 -7.993 9.859 4.909
83 2HB ARG 11 2HB ARG 11 -8.897 8.677 3.976
84 1HG ARG 11 1HG ARG 11 -9.500 7.471 5.825
85 2HG ARG 11 2HG ARG 11 -8.087 7.975 6.752
86 1HD ARG 11 1HD ARG 11 -9.928 9.071 7.740
87 2HD ARG 11 2HD ARG 11 -9.099 10.294 6.781
88 HE ARG 11 HE ARG 11 -10.939 10.441 5.420
89 1HH1 ARG 11 1HH1 ARG 11 -11.246 7.583 7.423
90 2HH1 ARG 11 2HH1 ARG 11 -12.885 7.285 6.956
91 1HH2 ARG 11 1HH2 ARG 11 -13.099 10.043 4.814
92 2HH2 ARG 11 2HH2 ARG 11 -13.938 8.681 5.474
93 H PHE 12 H PHE 12 -4.950 9.646 3.868
94 HA PHE 12 HA PHE 12 -3.936 9.710 6.630
95 1HB PHE 12 1HB PHE 12 -2.168 9.418 4.227
96 2HB PHE 12 2HB PHE 12 -1.660 9.412 5.900
97 HD1 PHE 12 HD1 PHE 12 -4.186 7.572 3.851
98 HD2 PHE 12 HD2 PHE 12 -0.985 7.344 6.642
99 HE1 PHE 12 HE1 PHE 12 -4.382 5.141 3.861
100 HE2 PHE 12 HE2 PHE 12 -1.182 4.887 6.657
101 HZ PHE 12 HZ PHE 12 -2.889 3.785 5.249
102 H MET 13 H MET 13 -2.754 11.552 7.226
103 HA MET 13 HA MET 13 -3.558 13.960 5.889
104 1HB MET 13 1HB MET 13 -2.420 15.125 7.689
105 2HB MET 13 2HB MET 13 -3.393 13.819 8.348
106 1HG MET 13 1HG MET 13 -1.340 12.432 8.490
107 2HG MET 13 2HG MET 13 -0.408 13.831 7.963
108 1HE MET 13 1HE MET 13 -0.785 12.729 12.109
109 2HE MET 13 2HE MET 13 -0.198 11.967 10.630
110 3HE MET 13 3HE MET 13 -1.924 11.966 10.997
111 H ARG 14 H ARG 14 -0.677 11.984 5.969
112 HA ARG 14 HA ARG 14 0.849 14.010 4.497
113 1HB ARG 14 1HB ARG 14 1.662 11.424 5.826
114 2HB ARG 14 2HB ARG 14 2.756 12.382 4.842
115 1HG ARG 14 1HG ARG 14 2.710 14.184 6.370
116 2HG ARG 14 2HG ARG 14 1.337 13.501 7.242
117 1HD ARG 14 1HD ARG 14 3.376 11.547 7.250
118 2HD ARG 14 2HD ARG 14 4.136 13.087 7.663
119 HE ARG 14 HE ARG 14 1.698 12.460 9.104
120 1HH1 ARG 14 1HH1 ARG 14 5.201 12.332 9.101
121 2HH1 ARG 14 2HH1 ARG 14 5.316 12.174 10.821
122 1HH2 ARG 14 1HH2 ARG 14 1.863 12.253 11.367
123 2HH2 ARG 14 2HH2 ARG 14 3.424 12.130 12.105
124 H SER 15 H SER 15 2.096 13.329 2.609
125 HA SER 15 HA SER 15 0.495 11.609 0.887
126 1HB SER 15 1HB SER 15 0.877 13.410 -0.374
127 2HB SER 15 2HB SER 15 2.358 13.851 0.473
128 HG SER 15 HG SER 15 3.484 12.765 -0.953
129 H ASP 16 H ASP 16 3.868 11.944 1.968
130 HA ASP 16 HA ASP 16 4.831 9.670 0.575
131 1HB ASP 16 1HB ASP 16 6.015 11.725 1.943
132 2HB ASP 16 2HB ASP 16 6.257 10.375 3.044
133 H HIS 17 H HIS 17 3.860 10.157 3.967
134 HA HIS 17 HA HIS 17 4.386 7.553 4.859
135 1HB HIS 17 1HB HIS 17 2.688 9.803 5.814
136 2HB HIS 17 2HB HIS 17 2.366 8.205 6.473
137 HD1 HIS 17 HD1 HIS 17 3.164 9.330 8.762
138 HD2 HIS 17 HD2 HIS 17 6.096 8.827 5.862
139 HE1 HIS 17 HE1 HIS 17 5.350 9.575 9.968
140 HE2 HIS 17 HE2 HIS 17 7.112 9.346 8.184
141 H LEU 18 H LEU 18 1.436 8.969 3.462
142 HA LEU 18 HA LEU 18 -0.233 6.741 3.754
143 1HB LEU 18 1HB LEU 18 -0.924 9.041 3.090
144 2HB LEU 18 2HB LEU 18 -0.270 8.744 1.500
145 HG LEU 18 HG LEU 18 -2.340 6.904 2.615
146 1HD1 LEU 18 1HD1 LEU 18 -3.991 8.407 1.383
147 2HD1 LEU 18 2HD1 LEU 18 -2.746 9.654 1.517
148 3HD1 LEU 18 3HD1 LEU 18 -3.428 8.931 2.968
149 1HD2 LEU 18 1HD2 LEU 18 -2.867 7.211 -0.002
150 2HD2 LEU 18 2HD2 LEU 18 -1.758 5.998 0.640
151 3HD2 LEU 18 3HD2 LEU 18 -1.129 7.519 0.002
152 H THR 19 H THR 19 1.879 7.712 1.062
153 HA THR 19 HA THR 19 1.243 5.573 -0.617
154 HB THR 19 HB THR 19 3.841 7.121 -0.448
155 HG1 THR 19 HG1 THR 19 2.540 8.651 -1.071
156 1HG2 THR 19 1HG2 THR 19 2.718 5.416 -2.653
157 2HG2 THR 19 2HG2 THR 19 4.254 5.220 -1.806
158 3HG2 THR 19 3HG2 THR 19 4.008 6.598 -2.880
159 H LEU 20 H LEU 20 3.455 5.845 2.098
160 HA LEU 20 HA LEU 20 4.961 3.498 1.646
161 1HB LEU 20 1HB LEU 20 5.386 5.398 3.324
162 2HB LEU 20 2HB LEU 20 4.246 4.572 4.368
163 HG LEU 20 HG LEU 20 5.841 2.511 3.940
164 1HD1 LEU 20 1HD1 LEU 20 8.171 3.179 3.735
165 2HD1 LEU 20 2HD1 LEU 20 7.685 4.861 3.535
166 3HD1 LEU 20 3HD1 LEU 20 7.252 3.668 2.312
167 1HD2 LEU 20 1HD2 LEU 20 7.117 3.167 5.951
168 2HD2 LEU 20 2HD2 LEU 20 5.383 3.439 6.123
169 3HD2 LEU 20 3HD2 LEU 20 6.462 4.797 5.807
170 H HIS 21 H HIS 21 1.827 4.104 3.115
171 HA HIS 21 HA HIS 21 1.394 1.613 4.326
172 1HB HIS 21 1HB HIS 21 -0.518 2.611 4.930
173 2HB HIS 21 2HB HIS 21 -0.013 4.019 4.037
174 HD1 HIS 21 HD1 HIS 21 -2.024 4.824 2.788
175 HD2 HIS 21 HD2 HIS 21 -1.658 0.708 2.630
176 HE1 HIS 21 HE1 HIS 21 -3.941 3.976 1.385
177 H ILE 22 H ILE 22 0.471 2.860 1.160
178 HA ILE 22 HA ILE 22 -0.965 0.696 0.247
179 HB ILE 22 HB ILE 22 0.706 2.408 -1.584
180 1HG1 ILE 22 1HG1 ILE 22 -2.096 3.136 -0.902
181 2HG1 ILE 22 2HG1 ILE 22 -0.883 3.506 0.301
182 1HG2 ILE 22 1HG2 ILE 22 -0.869 1.892 -3.228
183 2HG2 ILE 22 2HG2 ILE 22 -2.066 1.370 -2.043
184 3HG2 ILE 22 3HG2 ILE 22 -0.658 0.361 -2.378
185 1HD1 ILE 22 1HD1 ILE 22 0.264 4.467 -1.964
186 2HD1 ILE 22 2HD1 ILE 22 -0.677 5.411 -0.809
187 3HD1 ILE 22 3HD1 ILE 22 -1.449 4.765 -2.256
188 H LEU 23 H LEU 23 2.424 0.796 0.770
189 HA LEU 23 HA LEU 23 3.232 -1.139 -1.143
190 1HB LEU 23 1HB LEU 23 4.380 0.032 1.331
191 2HB LEU 23 2HB LEU 23 5.010 -1.526 0.839
192 HG LEU 23 HG LEU 23 5.491 -0.497 -1.423
193 1HD1 LEU 23 1HD1 LEU 23 5.666 1.947 -1.500
194 2HD1 LEU 23 2HD1 LEU 23 4.914 2.045 0.092
195 3HD1 LEU 23 3HD1 LEU 23 4.000 1.413 -1.277
196 1HD2 LEU 23 1HD2 LEU 23 7.564 0.464 -0.708
197 2HD2 LEU 23 2HD2 LEU 23 7.183 -0.878 0.371
198 3HD2 LEU 23 3HD2 LEU 23 6.919 0.783 0.903
199 H LEU 24 H LEU 24 1.487 -1.325 1.838
200 HA LEU 24 HA LEU 24 2.027 -3.913 2.724
201 1HB LEU 24 1HB LEU 24 -0.646 -2.501 2.793
202 2HB LEU 24 2HB LEU 24 -0.160 -3.842 3.808
203 HG LEU 24 HG LEU 24 1.501 -1.382 3.948
204 1HD1 LEU 24 1HD1 LEU 24 -0.993 -0.720 3.905
205 2HD1 LEU 24 2HD1 LEU 24 0.008 -0.134 5.235
206 3HD1 LEU 24 3HD1 LEU 24 -1.075 -1.504 5.484
207 1HD2 LEU 24 1HD2 LEU 24 2.140 -3.236 5.303
208 2HD2 LEU 24 2HD2 LEU 24 0.498 -3.431 5.915
209 3HD2 LEU 24 3HD2 LEU 24 1.445 -2.014 6.367
210 H HIS 25 H HIS 25 -0.060 -2.771 0.132
211 HA HIS 25 HA HIS 25 -1.413 -5.233 -0.313
212 1HB HIS 25 1HB HIS 25 -1.002 -2.967 -2.274
213 2HB HIS 25 2HB HIS 25 -2.246 -4.209 -2.345
214 HD1 HIS 25 HD1 HIS 25 -3.978 -4.115 -0.177
215 HD2 HIS 25 HD2 HIS 25 -1.783 -0.699 -1.061
216 HE1 HIS 25 HE1 HIS 25 -5.135 -2.198 0.999
217 H GLU 26 H GLU 26 1.458 -3.724 -1.745
218 HA GLU 26 HA GLU 26 1.847 -5.730 -3.731
219 1HB GLU 26 1HB GLU 26 3.487 -3.469 -2.651
220 2HB GLU 26 2HB GLU 26 4.259 -4.682 -3.664
221 1HG GLU 26 1HG GLU 26 1.757 -3.320 -4.568
222 2HG GLU 26 2HG GLU 26 3.327 -2.535 -4.744
223 H ASN 27 H ASN 27 3.801 -4.978 -0.828
224 HA ASN 27 HA ASN 27 5.075 -7.557 -0.901
225 1HB ASN 27 1HB ASN 27 6.133 -5.375 -0.101
226 2HB ASN 27 2HB ASN 27 5.182 -5.569 1.369
227 1HD2 ASN 27 1HD2 ASN 27 7.681 -7.032 -0.625
228 2HD2 ASN 27 2HD2 ASN 27 8.401 -7.964 0.640
229 H LYS 28 H LYS 28 5.002 -9.139 0.795
230 HA LYS 28 HA LYS 28 2.325 -9.550 1.795
231 1HB LYS 28 1HB LYS 28 4.834 -11.177 1.696
232 2HB LYS 28 2HB LYS 28 3.567 -11.638 2.825
233 1HG LYS 28 1HG LYS 28 2.036 -12.073 1.110
234 2HG LYS 28 2HG LYS 28 2.999 -11.203 -0.086
235 1HD LYS 28 1HD LYS 28 4.209 -13.558 1.281
236 2HD LYS 28 2HD LYS 28 2.999 -13.840 0.028
237 1HE LYS 28 1HE LYS 28 5.323 -12.006 -0.451
238 2HE LYS 28 2HE LYS 28 5.489 -13.750 -0.647
239 1HZ LYS 28 1HZ LYS 28 3.633 -13.674 -2.234
240 2HZ LYS 28 2HZ LYS 28 4.951 -12.746 -2.744
241 3HZ LYS 28 3HZ LYS 28 3.586 -11.987 -2.094
242 H LYS 29 H LYS 29 2.394 -7.608 3.167
243 HA LYS 29 HA LYS 29 2.986 -8.318 5.884
244 1HB LYS 29 1HB LYS 29 5.175 -7.420 4.910
245 2HB LYS 29 2HB LYS 29 4.376 -5.856 4.833
246 1HG LYS 29 1HG LYS 29 5.009 -5.495 6.920
247 2HG LYS 29 2HG LYS 29 3.935 -6.798 7.431
248 1HD LYS 29 1HD LYS 29 5.687 -8.400 7.319
249 2HD LYS 29 2HD LYS 29 6.755 -7.270 6.484
250 1HE LYS 29 1HE LYS 29 7.108 -5.996 8.412
251 2HE LYS 29 2HE LYS 29 5.697 -6.670 9.225
252 1HZ LYS 29 1HZ LYS 29 8.180 -8.170 8.587
253 2HZ LYS 29 2HZ LYS 29 6.839 -8.775 9.422
254 3HZ LYS 29 3HZ LYS 29 7.778 -7.548 10.109
Start of MODEL 30
1 H TYR 1 H TYR 1 -9.529 14.541 6.008
2 HA TYR 1 HA TYR 1 -7.907 13.408 4.879
3 1HB TYR 1 1HB TYR 1 -10.340 13.039 3.128
4 2HB TYR 1 2HB TYR 1 -9.163 11.826 3.618
5 HD1 TYR 1 HD1 TYR 1 -8.980 11.832 6.404
6 HD2 TYR 1 HD2 TYR 1 -12.416 12.708 4.051
7 HE1 TYR 1 HE1 TYR 1 -10.426 11.198 8.289
8 HE2 TYR 1 HE2 TYR 1 -13.870 12.077 5.930
9 HH TYR 1 HH TYR 1 -13.263 12.025 8.793
10 H LYS 2 H LYS 2 -6.288 13.639 3.471
11 HA LYS 2 HA LYS 2 -6.627 15.482 1.232
12 1HB LYS 2 1HB LYS 2 -4.680 15.551 2.929
13 2HB LYS 2 2HB LYS 2 -4.034 14.186 2.027
14 1HG LYS 2 1HG LYS 2 -3.994 15.528 -0.004
15 2HG LYS 2 2HG LYS 2 -4.677 16.895 0.877
16 1HD LYS 2 1HD LYS 2 -2.461 17.441 0.984
17 2HD LYS 2 2HD LYS 2 -2.593 16.465 2.447
18 1HE LYS 2 1HE LYS 2 -0.718 15.560 1.465
19 2HE LYS 2 2HE LYS 2 -1.982 14.495 0.850
20 1HZ LYS 2 1HZ LYS 2 -0.961 16.852 -0.637
21 2HZ LYS 2 2HZ LYS 2 -1.974 15.629 -1.221
22 3HZ LYS 2 3HZ LYS 2 -0.362 15.283 -0.845
23 H PHE 3 H PHE 3 -5.135 12.262 1.741
24 HA PHE 3 HA PHE 3 -5.752 11.651 -1.071
25 1HB PHE 3 1HB PHE 3 -3.372 11.177 0.614
26 2HB PHE 3 2HB PHE 3 -3.851 9.847 -0.419
27 HD1 PHE 3 HD1 PHE 3 -4.517 10.719 -2.915
28 HD2 PHE 3 HD2 PHE 3 -1.776 12.567 -0.233
29 HE1 PHE 3 HE1 PHE 3 -3.388 11.797 -4.817
30 HE2 PHE 3 HE2 PHE 3 -0.643 13.649 -2.130
31 HZ PHE 3 HZ PHE 3 -1.450 13.265 -4.426
32 H ALA 4 H ALA 4 -5.756 9.174 -1.422
33 HA ALA 4 HA ALA 4 -6.778 7.555 0.723
34 1HB ALA 4 1HB ALA 4 -8.965 7.103 -0.306
35 2HB ALA 4 2HB ALA 4 -8.642 8.345 -1.516
36 3HB ALA 4 3HB ALA 4 -8.802 8.790 0.183
37 H CYS 5 H CYS 5 -6.684 5.351 0.242
38 HA CYS 5 HA CYS 5 -4.989 4.622 -1.925
39 1HB CYS 5 1HB CYS 5 -5.275 3.469 0.388
40 2HB CYS 5 2HB CYS 5 -6.608 2.622 -0.380
41 HG CYS 5 HG CYS 5 -5.006 1.312 -1.786
42 HA PRO 6 HA PRO 6 -8.075 3.934 -5.037
43 1HB PRO 6 1HB PRO 6 -6.555 2.594 -6.821
44 2HB PRO 6 2HB PRO 6 -6.363 4.326 -6.530
45 1HG PRO 6 1HG PRO 6 -4.747 2.038 -5.476
46 2HG PRO 6 2HG PRO 6 -4.194 3.603 -6.100
47 1HD PRO 6 1HD PRO 6 -4.406 3.042 -3.444
48 2HD PRO 6 2HD PRO 6 -4.590 4.676 -4.113
49 H GLU 7 H GLU 7 -6.376 1.372 -3.400
50 HA GLU 7 HA GLU 7 -8.198 -0.656 -4.478
51 1HB GLU 7 1HB GLU 7 -5.740 -1.089 -4.522
52 2HB GLU 7 2HB GLU 7 -5.739 -1.043 -2.764
53 1HG GLU 7 1HG GLU 7 -7.745 -2.870 -3.643
54 2HG GLU 7 2HG GLU 7 -6.227 -3.239 -4.459
55 H CYS 8 H CYS 8 -6.908 0.467 -1.330
56 HA CYS 8 HA CYS 8 -9.208 -0.803 -0.012
57 1HB CYS 8 1HB CYS 8 -7.941 -0.730 2.029
58 2HB CYS 8 2HB CYS 8 -6.917 -1.395 0.768
59 HG CYS 8 HG CYS 8 -5.299 0.355 1.267
60 HA PRO 9 HA PRO 9 -10.830 3.120 1.201
61 1HB PRO 9 1HB PRO 9 -12.120 2.533 3.466
62 2HB PRO 9 2HB PRO 9 -12.564 1.780 1.931
63 1HG PRO 9 1HG PRO 9 -11.056 0.647 4.229
64 2HG PRO 9 2HG PRO 9 -12.163 -0.156 3.104
65 1HD PRO 9 1HD PRO 9 -9.341 -0.156 2.990
66 2HD PRO 9 2HD PRO 9 -10.449 -0.738 1.738
67 H LYS 10 H LYS 10 -8.008 2.975 2.020
68 HA LYS 10 HA LYS 10 -7.977 4.106 4.697
69 1HB LYS 10 1HB LYS 10 -5.672 3.670 2.788
70 2HB LYS 10 2HB LYS 10 -5.546 4.137 4.460
71 1HG LYS 10 1HG LYS 10 -6.914 1.593 3.711
72 2HG LYS 10 2HG LYS 10 -5.155 1.680 3.827
73 1HD LYS 10 1HD LYS 10 -5.560 1.118 5.982
74 2HD LYS 10 2HD LYS 10 -5.820 2.854 6.151
75 1HE LYS 10 1HE LYS 10 -7.654 1.773 7.206
76 2HE LYS 10 2HE LYS 10 -8.253 2.432 5.685
77 1HZ LYS 10 1HZ LYS 10 -8.198 0.283 4.700
78 2HZ LYS 10 2HZ LYS 10 -8.999 0.129 6.180
79 3HZ LYS 10 3HZ LYS 10 -7.397 -0.389 6.030
80 H ARG 11 H ARG 11 -6.987 6.166 5.141
81 HA ARG 11 HA ARG 11 -6.831 8.085 2.953
82 1HB ARG 11 1HB ARG 11 -8.300 9.569 4.709
83 2HB ARG 11 2HB ARG 11 -8.958 8.760 3.295
84 1HG ARG 11 1HG ARG 11 -9.664 6.887 4.629
85 2HG ARG 11 2HG ARG 11 -8.871 7.557 6.055
86 1HD ARG 11 1HD ARG 11 -11.182 8.039 6.266
87 2HD ARG 11 2HD ARG 11 -10.386 9.549 5.831
88 HE ARG 11 HE ARG 11 -11.146 8.657 3.436
89 1HH1 ARG 11 1HH1 ARG 11 -12.932 8.865 6.443
90 2HH1 ARG 11 2HH1 ARG 11 -14.459 9.086 5.660
91 1HH2 ARG 11 1HH2 ARG 11 -13.159 8.951 2.414
92 2HH2 ARG 11 2HH2 ARG 11 -14.589 9.135 3.374
93 H PHE 12 H PHE 12 -5.188 9.468 3.270
94 HA PHE 12 HA PHE 12 -4.290 9.985 6.022
95 1HB PHE 12 1HB PHE 12 -2.355 9.459 3.802
96 2HB PHE 12 2HB PHE 12 -2.011 9.563 5.512
97 HD1 PHE 12 HD1 PHE 12 -4.276 7.566 3.310
98 HD2 PHE 12 HD2 PHE 12 -1.445 7.559 6.486
99 HE1 PHE 12 HE1 PHE 12 -4.454 5.134 3.451
100 HE2 PHE 12 HE2 PHE 12 -1.624 5.107 6.634
101 HZ PHE 12 HZ PHE 12 -3.129 3.892 5.099
102 H MET 13 H MET 13 -3.214 11.941 6.368
103 HA MET 13 HA MET 13 -3.915 14.033 4.499
104 1HB MET 13 1HB MET 13 -2.726 13.984 7.258
105 2HB MET 13 2HB MET 13 -2.705 15.460 6.304
106 1HG MET 13 1HG MET 13 -4.642 15.778 7.434
107 2HG MET 13 2HG MET 13 -5.271 14.909 6.037
108 1HE MET 13 1HE MET 13 -6.606 11.717 7.250
109 2HE MET 13 2HE MET 13 -6.011 12.691 5.905
110 3HE MET 13 3HE MET 13 -7.381 13.253 6.862
111 H ARG 14 H ARG 14 -1.141 12.117 5.226
112 HA ARG 14 HA ARG 14 0.662 13.970 3.845
113 1HB ARG 14 1HB ARG 14 1.211 11.455 5.430
114 2HB ARG 14 2HB ARG 14 2.449 12.396 4.610
115 1HG ARG 14 1HG ARG 14 2.269 14.167 6.088
116 2HG ARG 14 2HG ARG 14 0.652 13.696 6.614
117 1HD ARG 14 1HD ARG 14 1.963 13.080 8.418
118 2HD ARG 14 2HD ARG 14 1.827 11.570 7.513
119 HE ARG 14 HE ARG 14 4.092 12.528 6.520
120 1HH1 ARG 14 1HH1 ARG 14 3.017 12.364 9.850
121 2HH1 ARG 14 2HH1 ARG 14 4.622 12.239 10.487
122 1HH2 ARG 14 1HH2 ARG 14 6.200 12.362 7.368
123 2HH2 ARG 14 2HH2 ARG 14 6.427 12.237 9.080
124 H SER 15 H SER 15 2.067 13.153 2.159
125 HA SER 15 HA SER 15 0.671 11.238 0.454
126 1HB SER 15 1HB SER 15 1.289 12.525 -1.223
127 2HB SER 15 2HB SER 15 1.968 13.658 -0.059
128 HG SER 15 HG SER 15 3.942 12.932 -0.479
129 H ASP 16 H ASP 16 3.882 11.768 1.878
130 HA ASP 16 HA ASP 16 5.052 9.434 0.753
131 1HB ASP 16 1HB ASP 16 6.005 11.635 2.129
132 2HB ASP 16 2HB ASP 16 6.246 10.315 3.268
133 H HIS 17 H HIS 17 3.776 10.140 4.016
134 HA HIS 17 HA HIS 17 4.261 7.584 5.090
135 1HB HIS 17 1HB HIS 17 2.606 9.919 5.843
136 2HB HIS 17 2HB HIS 17 2.088 8.369 6.494
137 HD1 HIS 17 HD1 HIS 17 2.729 9.183 8.871
138 HD2 HIS 17 HD2 HIS 17 5.911 8.974 6.209
139 HE1 HIS 17 HE1 HIS 17 4.793 9.371 10.277
140 HE2 HIS 17 HE2 HIS 17 6.713 9.144 8.663
141 H LEU 18 H LEU 18 1.435 8.931 3.418
142 HA LEU 18 HA LEU 18 -0.291 6.752 3.720
143 1HB LEU 18 1HB LEU 18 -0.885 9.008 2.856
144 2HB LEU 18 2HB LEU 18 -0.091 8.608 1.355
145 HG LEU 18 HG LEU 18 -2.313 6.893 2.382
146 1HD1 LEU 18 1HD1 LEU 18 -2.496 9.579 1.108
147 2HD1 LEU 18 2HD1 LEU 18 -3.440 8.903 2.432
148 3HD1 LEU 18 3HD1 LEU 18 -3.726 8.358 0.780
149 1HD2 LEU 18 1HD2 LEU 18 -2.505 7.084 -0.329
150 2HD2 LEU 18 2HD2 LEU 18 -1.674 5.798 0.551
151 3HD2 LEU 18 3HD2 LEU 18 -0.763 7.177 -0.071
152 H THR 19 H THR 19 2.037 7.517 1.135
153 HA THR 19 HA THR 19 1.495 5.270 -0.436
154 HB THR 19 HB THR 19 4.047 6.879 -0.180
155 HG1 THR 19 HG1 THR 19 2.711 8.251 -1.082
156 1HG2 THR 19 1HG2 THR 19 4.716 4.892 -1.254
157 2HG2 THR 19 2HG2 THR 19 4.465 6.083 -2.530
158 3HG2 THR 19 3HG2 THR 19 3.249 4.839 -2.232
159 H LEU 20 H LEU 20 3.520 5.714 2.401
160 HA LEU 20 HA LEU 20 5.048 3.357 2.230
161 1HB LEU 20 1HB LEU 20 5.317 5.324 3.844
162 2HB LEU 20 2HB LEU 20 4.055 4.574 4.803
163 HG LEU 20 HG LEU 20 5.841 2.504 4.426
164 1HD1 LEU 20 1HD1 LEU 20 7.414 5.026 4.931
165 2HD1 LEU 20 2HD1 LEU 20 7.469 4.064 3.454
166 3HD1 LEU 20 3HD1 LEU 20 8.034 3.376 4.977
167 1HD2 LEU 20 1HD2 LEU 20 4.679 3.026 6.491
168 2HD2 LEU 20 2HD2 LEU 20 5.664 4.472 6.706
169 3HD2 LEU 20 3HD2 LEU 20 6.410 2.876 6.787
170 H HIS 21 H HIS 21 1.799 4.008 3.416
171 HA HIS 21 HA HIS 21 1.269 1.543 4.645
172 1HB HIS 21 1HB HIS 21 -0.681 2.566 5.088
173 2HB HIS 21 2HB HIS 21 -0.096 3.954 4.217
174 HD1 HIS 21 HD1 HIS 21 -1.940 4.762 2.744
175 HD2 HIS 21 HD2 HIS 21 -1.708 0.634 2.805
176 HE1 HIS 21 HE1 HIS 21 -3.770 3.907 1.228
177 H ILE 22 H ILE 22 0.559 2.733 1.401
178 HA ILE 22 HA ILE 22 -0.782 0.528 0.421
179 HB ILE 22 HB ILE 22 0.983 2.259 -1.301
180 1HG1 ILE 22 1HG1 ILE 22 -1.878 2.923 -0.826
181 2HG1 ILE 22 2HG1 ILE 22 -0.747 3.352 0.437
182 1HG2 ILE 22 1HG2 ILE 22 -0.309 1.595 -3.072
183 2HG2 ILE 22 2HG2 ILE 22 -1.724 1.296 -2.060
184 3HG2 ILE 22 3HG2 ILE 22 -0.394 0.136 -2.084
185 1HD1 ILE 22 1HD1 ILE 22 0.459 4.243 -1.876
186 2HD1 ILE 22 2HD1 ILE 22 -0.408 5.215 -0.688
187 3HD1 ILE 22 3HD1 ILE 22 -1.253 4.598 -2.107
188 H LEU 23 H LEU 23 2.545 0.693 1.205
189 HA LEU 23 HA LEU 23 3.687 -1.079 -0.622
190 1HB LEU 23 1HB LEU 23 4.247 -0.473 2.265
191 2HB LEU 23 2HB LEU 23 5.144 -1.725 1.429
192 HG LEU 23 HG LEU 23 5.002 1.112 0.422
193 1HD1 LEU 23 1HD1 LEU 23 7.136 1.521 1.463
194 2HD1 LEU 23 2HD1 LEU 23 7.161 -0.111 2.134
195 3HD1 LEU 23 3HD1 LEU 23 5.964 1.056 2.696
196 1HD2 LEU 23 1HD2 LEU 23 6.836 -1.210 -0.161
197 2HD2 LEU 23 2HD2 LEU 23 7.069 0.432 -0.762
198 3HD2 LEU 23 3HD2 LEU 23 5.649 -0.494 -1.252
199 H LEU 24 H LEU 24 1.515 -1.627 2.069
200 HA LEU 24 HA LEU 24 1.851 -4.336 2.578
201 1HB LEU 24 1HB LEU 24 -0.841 -2.982 2.414
202 2HB LEU 24 2HB LEU 24 -0.409 -4.371 3.388
203 HG LEU 24 HG LEU 24 1.101 -1.897 3.964
204 1HD1 LEU 24 1HD1 LEU 24 -1.744 -2.124 4.913
205 2HD1 LEU 24 2HD1 LEU 24 -1.294 -1.168 3.500
206 3HD1 LEU 24 3HD1 LEU 24 -0.635 -0.765 5.086
207 1HD2 LEU 24 1HD2 LEU 24 0.789 -2.658 6.251
208 2HD2 LEU 24 2HD2 LEU 24 1.391 -3.971 5.239
209 3HD2 LEU 24 3HD2 LEU 24 -0.311 -3.920 5.698
210 H HIS 25 H HIS 25 -0.262 -2.791 0.170
211 HA HIS 25 HA HIS 25 -1.231 -5.184 -0.981
212 1HB HIS 25 1HB HIS 25 -1.000 -2.554 -2.441
213 2HB HIS 25 2HB HIS 25 -2.195 -3.825 -2.674
214 HD1 HIS 25 HD1 HIS 25 -3.604 -4.211 -0.171
215 HD2 HIS 25 HD2 HIS 25 -2.081 -0.480 -1.171
216 HE1 HIS 25 HE1 HIS 25 -4.876 -2.526 1.221
217 H GLU 26 H GLU 26 1.533 -3.116 -1.717
218 HA GLU 26 HA GLU 26 2.315 -4.126 -4.172
219 1HB GLU 26 1HB GLU 26 3.317 -2.192 -2.831
220 2HB GLU 26 2HB GLU 26 4.272 -3.407 -1.995
221 1HG GLU 26 1HG GLU 26 4.788 -4.067 -4.557
222 2HG GLU 26 2HG GLU 26 4.533 -2.330 -4.718
223 H ASN 27 H ASN 27 2.894 -5.445 -0.938
224 HA ASN 27 HA ASN 27 4.599 -7.559 -1.861
225 1HB ASN 27 1HB ASN 27 4.510 -6.503 0.499
226 2HB ASN 27 2HB ASN 27 3.130 -7.562 0.768
227 1HD2 ASN 27 1HD2 ASN 27 6.532 -7.319 0.590
228 2HD2 ASN 27 2HD2 ASN 27 6.895 -8.976 0.919
229 H LYS 28 H LYS 28 3.292 -8.458 -3.542
230 HA LYS 28 HA LYS 28 1.708 -10.670 -2.685
231 1HB LYS 28 1HB LYS 28 0.283 -8.317 -2.928
232 2HB LYS 28 2HB LYS 28 0.034 -9.084 -4.489
233 1HG LYS 28 1HG LYS 28 -1.195 -10.778 -3.621
234 2HG LYS 28 2HG LYS 28 -0.320 -10.778 -2.089
235 1HD LYS 28 1HD LYS 28 -1.945 -8.378 -2.691
236 2HD LYS 28 2HD LYS 28 -2.829 -9.867 -2.349
237 1HE LYS 28 1HE LYS 28 -2.611 -9.196 -0.209
238 2HE LYS 28 2HE LYS 28 -1.012 -9.923 -0.358
239 1HZ LYS 28 1HZ LYS 28 -1.637 -7.051 -0.788
240 2HZ LYS 28 2HZ LYS 28 -0.102 -7.755 -0.883
241 3HZ LYS 28 3HZ LYS 28 -0.916 -7.698 0.598
242 H LYS 29 H LYS 29 0.520 -11.602 -4.798
243 HA LYS 29 HA LYS 29 2.557 -12.359 -6.569
244 1HB LYS 29 1HB LYS 29 0.771 -13.412 -7.898
245 2HB LYS 29 2HB LYS 29 0.613 -13.766 -6.184
246 1HG LYS 29 1HG LYS 29 -1.454 -12.981 -6.182
247 2HG LYS 29 2HG LYS 29 -0.896 -11.418 -6.781
248 1HD LYS 29 1HD LYS 29 -1.171 -13.688 -8.698
249 2HD LYS 29 2HD LYS 29 -2.625 -12.853 -8.148
250 1HE LYS 29 1HE LYS 29 -1.551 -10.703 -8.844
251 2HE LYS 29 2HE LYS 29 -0.244 -11.651 -9.553
252 1HZ LYS 29 1HZ LYS 29 -1.886 -11.041 -11.210
253 2HZ LYS 29 2HZ LYS 29 -3.109 -11.804 -10.325
254 3HZ LYS 29 3HZ LYS 29 -1.859 -12.721 -11.001
Start of MODEL 31
1 H TYR 1 H TYR 1 -11.015 14.095 4.188
2 HA TYR 1 HA TYR 1 -8.348 13.577 5.320
3 1HB TYR 1 1HB TYR 1 -8.430 11.434 4.297
4 2HB TYR 1 2HB TYR 1 -9.940 11.602 5.182
5 HD1 TYR 1 HD1 TYR 1 -8.400 11.383 1.873
6 HD2 TYR 1 HD2 TYR 1 -12.061 11.829 3.993
7 HE1 TYR 1 HE1 TYR 1 -9.645 10.850 -0.180
8 HE2 TYR 1 HE2 TYR 1 -13.317 11.300 1.947
9 HH TYR 1 HH TYR 1 -12.421 9.798 -0.425
10 H LYS 2 H LYS 2 -6.696 13.432 3.681
11 HA LYS 2 HA LYS 2 -7.202 15.278 1.474
12 1HB LYS 2 1HB LYS 2 -5.292 15.728 2.965
13 2HB LYS 2 2HB LYS 2 -4.587 14.179 2.523
14 1HG LYS 2 1HG LYS 2 -3.729 14.984 0.631
15 2HG LYS 2 2HG LYS 2 -5.214 15.842 0.216
16 1HD LYS 2 1HD LYS 2 -4.025 17.700 0.625
17 2HD LYS 2 2HD LYS 2 -4.280 17.308 2.326
18 1HE LYS 2 1HE LYS 2 -2.116 15.781 1.785
19 2HE LYS 2 2HE LYS 2 -1.844 17.124 0.676
20 1HZ LYS 2 1HZ LYS 2 -2.334 17.401 3.594
21 2HZ LYS 2 2HZ LYS 2 -1.984 18.657 2.515
22 3HZ LYS 2 3HZ LYS 2 -0.816 17.481 2.852
23 H PHE 3 H PHE 3 -5.233 12.300 1.824
24 HA PHE 3 HA PHE 3 -5.886 11.644 -0.957
25 1HB PHE 3 1HB PHE 3 -3.550 11.136 0.818
26 2HB PHE 3 2HB PHE 3 -3.921 9.947 -0.410
27 HD1 PHE 3 HD1 PHE 3 -4.177 10.811 -2.832
28 HD2 PHE 3 HD2 PHE 3 -2.293 13.005 0.292
29 HE1 PHE 3 HE1 PHE 3 -3.001 12.178 -4.505
30 HE2 PHE 3 HE2 PHE 3 -1.115 14.376 -1.377
31 HZ PHE 3 HZ PHE 3 -1.468 13.964 -3.779
32 H ALA 4 H ALA 4 -5.999 9.282 -1.460
33 HA ALA 4 HA ALA 4 -6.921 7.545 0.672
34 1HB ALA 4 1HB ALA 4 -9.108 7.655 0.295
35 2HB ALA 4 2HB ALA 4 -8.876 7.392 -1.434
36 3HB ALA 4 3HB ALA 4 -8.806 9.025 -0.773
37 H CYS 5 H CYS 5 -6.713 5.368 0.186
38 HA CYS 5 HA CYS 5 -4.956 4.697 -1.947
39 1HB CYS 5 1HB CYS 5 -5.182 3.519 0.321
40 2HB CYS 5 2HB CYS 5 -6.575 2.705 -0.370
41 HG CYS 5 HG CYS 5 -3.713 2.356 -1.541
42 HA PRO 6 HA PRO 6 -7.951 3.951 -5.142
43 1HB PRO 6 1HB PRO 6 -6.387 2.581 -6.867
44 2HB PRO 6 2HB PRO 6 -6.213 4.321 -6.607
45 1HG PRO 6 1HG PRO 6 -4.612 2.065 -5.459
46 2HG PRO 6 2HG PRO 6 -4.049 3.611 -6.119
47 1HD PRO 6 1HD PRO 6 -4.300 3.148 -3.456
48 2HD PRO 6 2HD PRO 6 -4.520 4.755 -4.180
49 H GLU 7 H GLU 7 -6.314 1.417 -3.407
50 HA GLU 7 HA GLU 7 -8.112 -0.615 -4.521
51 1HB GLU 7 1HB GLU 7 -5.659 -1.061 -4.517
52 2HB GLU 7 2HB GLU 7 -5.689 -1.006 -2.760
53 1HG GLU 7 1HG GLU 7 -7.694 -2.822 -3.660
54 2HG GLU 7 2HG GLU 7 -6.168 -3.206 -4.455
55 H CYS 8 H CYS 8 -6.885 0.534 -1.360
56 HA CYS 8 HA CYS 8 -9.235 -0.700 -0.089
57 1HB CYS 8 1HB CYS 8 -8.002 -0.667 1.980
58 2HB CYS 8 2HB CYS 8 -6.992 -1.379 0.733
59 HG CYS 8 HG CYS 8 -6.524 1.589 1.458
60 HA PRO 9 HA PRO 9 -10.762 3.263 1.121
61 1HB PRO 9 1HB PRO 9 -12.108 2.706 3.359
62 2HB PRO 9 2HB PRO 9 -12.545 1.966 1.816
63 1HG PRO 9 1HG PRO 9 -11.098 0.794 4.136
64 2HG PRO 9 2HG PRO 9 -12.217 0.023 3.002
65 1HD PRO 9 1HD PRO 9 -9.399 -0.067 2.917
66 2HD PRO 9 2HD PRO 9 -10.510 -0.606 1.647
67 H LYS 10 H LYS 10 -7.956 2.994 2.011
68 HA LYS 10 HA LYS 10 -7.926 4.127 4.685
69 1HB LYS 10 1HB LYS 10 -5.619 3.676 2.787
70 2HB LYS 10 2HB LYS 10 -5.494 4.105 4.467
71 1HG LYS 10 1HG LYS 10 -6.990 1.637 3.816
72 2HG LYS 10 2HG LYS 10 -5.236 1.614 3.627
73 1HD LYS 10 1HD LYS 10 -5.313 2.716 6.027
74 2HD LYS 10 2HD LYS 10 -6.882 1.908 6.089
75 1HE LYS 10 1HE LYS 10 -4.318 0.508 5.355
76 2HE LYS 10 2HE LYS 10 -4.943 0.587 7.001
77 1HZ LYS 10 1HZ LYS 10 -6.993 -0.485 6.179
78 2HZ LYS 10 2HZ LYS 10 -5.623 -1.461 6.003
79 3HZ LYS 10 3HZ LYS 10 -6.270 -0.665 4.659
80 H ARG 11 H ARG 11 -7.030 6.180 5.165
81 HA ARG 11 HA ARG 11 -6.786 8.087 2.969
82 1HB ARG 11 1HB ARG 11 -8.496 8.671 5.376
83 2HB ARG 11 2HB ARG 11 -8.304 9.645 3.936
84 1HG ARG 11 1HG ARG 11 -9.582 8.172 2.626
85 2HG ARG 11 2HG ARG 11 -9.499 6.898 3.843
86 1HD ARG 11 1HD ARG 11 -10.760 9.513 4.540
87 2HD ARG 11 2HD ARG 11 -11.663 8.349 3.575
88 HE ARG 11 HE ARG 11 -11.695 6.879 5.400
89 1HH1 ARG 11 1HH1 ARG 11 -10.044 9.871 6.188
90 2HH1 ARG 11 2HH1 ARG 11 -10.108 9.595 7.894
91 1HH2 ARG 11 1HH2 ARG 11 -11.770 6.528 7.648
92 2HH2 ARG 11 2HH2 ARG 11 -11.085 7.701 8.723
93 H PHE 12 H PHE 12 -5.212 9.566 3.292
94 HA PHE 12 HA PHE 12 -4.205 10.017 6.007
95 1HB PHE 12 1HB PHE 12 -2.315 9.451 3.757
96 2HB PHE 12 2HB PHE 12 -1.941 9.560 5.461
97 HD1 PHE 12 HD1 PHE 12 -4.242 7.568 3.292
98 HD2 PHE 12 HD2 PHE 12 -1.391 7.561 6.450
99 HE1 PHE 12 HE1 PHE 12 -4.430 5.138 3.443
100 HE2 PHE 12 HE2 PHE 12 -1.582 5.111 6.609
101 HZ PHE 12 HZ PHE 12 -3.101 3.896 5.090
102 H MET 13 H MET 13 -3.298 12.015 6.363
103 HA MET 13 HA MET 13 -3.872 14.040 4.385
104 1HB MET 13 1HB MET 13 -3.219 15.641 6.094
105 2HB MET 13 2HB MET 13 -4.316 14.449 6.774
106 1HG MET 13 1HG MET 13 -2.645 13.436 8.025
107 2HG MET 13 2HG MET 13 -1.356 14.119 7.036
108 1HE MET 13 1HE MET 13 -4.479 15.441 9.075
109 2HE MET 13 2HE MET 13 -3.642 16.210 10.424
110 3HE MET 13 3HE MET 13 -3.509 14.469 10.181
111 H ARG 14 H ARG 14 -1.209 12.071 5.160
112 HA ARG 14 HA ARG 14 0.741 13.939 4.018
113 1HB ARG 14 1HB ARG 14 1.282 11.215 5.210
114 2HB ARG 14 2HB ARG 14 2.447 12.487 4.878
115 1HG ARG 14 1HG ARG 14 2.231 12.816 7.100
116 2HG ARG 14 2HG ARG 14 0.876 13.815 6.570
117 1HD ARG 14 1HD ARG 14 -0.513 12.552 7.759
118 2HD ARG 14 2HD ARG 14 -0.061 11.150 6.786
119 HE ARG 14 HE ARG 14 1.196 10.393 8.534
120 1HH1 ARG 14 1HH1 ARG 14 0.500 13.782 9.076
121 2HH1 ARG 14 2HH1 ARG 14 1.169 13.790 10.672
122 1HH2 ARG 14 1HH2 ARG 14 2.071 10.410 10.638
123 2HH2 ARG 14 2HH2 ARG 14 2.061 11.877 11.560
124 H SER 15 H SER 15 2.199 13.177 2.342
125 HA SER 15 HA SER 15 0.808 11.450 0.443
126 1HB SER 15 1HB SER 15 1.380 13.151 -0.860
127 2HB SER 15 2HB SER 15 2.644 13.715 0.230
128 HG SER 15 HG SER 15 2.792 11.963 -1.932
129 H ASP 16 H ASP 16 4.086 11.836 1.799
130 HA ASP 16 HA ASP 16 5.116 9.459 0.664
131 1HB ASP 16 1HB ASP 16 6.619 11.212 1.359
132 2HB ASP 16 2HB ASP 16 6.050 11.088 3.017
133 H HIS 17 H HIS 17 3.914 10.188 3.938
134 HA HIS 17 HA HIS 17 4.337 7.639 5.029
135 1HB HIS 17 1HB HIS 17 2.439 9.866 5.727
136 2HB HIS 17 2HB HIS 17 2.423 8.343 6.602
137 HD1 HIS 17 HD1 HIS 17 3.138 9.698 8.729
138 HD2 HIS 17 HD2 HIS 17 5.923 9.679 5.647
139 HE1 HIS 17 HE1 HIS 17 5.265 10.547 9.743
140 HE2 HIS 17 HE2 HIS 17 6.917 10.613 7.844
141 H LEU 18 H LEU 18 1.531 9.001 3.324
142 HA LEU 18 HA LEU 18 -0.218 6.842 3.686
143 1HB LEU 18 1HB LEU 18 -0.806 9.092 2.793
144 2HB LEU 18 2HB LEU 18 -0.039 8.659 1.287
145 HG LEU 18 HG LEU 18 -2.250 6.969 2.377
146 1HD1 LEU 18 1HD1 LEU 18 -2.440 9.674 1.180
147 2HD1 LEU 18 2HD1 LEU 18 -3.446 8.909 2.408
148 3HD1 LEU 18 3HD1 LEU 18 -3.635 8.463 0.713
149 1HD2 LEU 18 1HD2 LEU 18 -1.675 5.854 0.541
150 2HD2 LEU 18 2HD2 LEU 18 -0.741 7.209 -0.100
151 3HD2 LEU 18 3HD2 LEU 18 -2.488 7.153 -0.339
152 H THR 19 H THR 19 2.127 7.539 1.106
153 HA THR 19 HA THR 19 1.550 5.294 -0.455
154 HB THR 19 HB THR 19 4.173 6.785 -0.205
155 HG1 THR 19 HG1 THR 19 2.962 8.295 -1.032
156 1HG2 THR 19 1HG2 THR 19 4.640 4.788 -1.386
157 2HG2 THR 19 2HG2 THR 19 4.484 6.073 -2.583
158 3HG2 THR 19 3HG2 THR 19 3.163 4.930 -2.342
159 H LEU 20 H LEU 20 3.563 5.726 2.389
160 HA LEU 20 HA LEU 20 5.069 3.358 2.252
161 1HB LEU 20 1HB LEU 20 5.356 5.305 3.856
162 2HB LEU 20 2HB LEU 20 4.031 4.631 4.783
163 HG LEU 20 HG LEU 20 5.564 2.459 4.719
164 1HD1 LEU 20 1HD1 LEU 20 7.277 3.493 3.304
165 2HD1 LEU 20 2HD1 LEU 20 7.916 3.022 4.879
166 3HD1 LEU 20 3HD1 LEU 20 7.556 4.716 4.544
167 1HD2 LEU 20 1HD2 LEU 20 6.456 3.133 6.894
168 2HD2 LEU 20 2HD2 LEU 20 4.758 3.577 6.728
169 3HD2 LEU 20 3HD2 LEU 20 6.011 4.807 6.560
170 H HIS 21 H HIS 21 1.806 4.021 3.386
171 HA HIS 21 HA HIS 21 1.255 1.559 4.614
172 1HB HIS 21 1HB HIS 21 -0.692 2.589 5.041
173 2HB HIS 21 2HB HIS 21 -0.094 3.975 4.171
174 HD1 HIS 21 HD1 HIS 21 -1.935 4.788 2.702
175 HD2 HIS 21 HD2 HIS 21 -1.712 0.660 2.740
176 HE1 HIS 21 HE1 HIS 21 -3.768 3.946 1.187
177 H ILE 22 H ILE 22 0.577 2.746 1.364
178 HA ILE 22 HA ILE 22 -0.778 0.555 0.381
179 HB ILE 22 HB ILE 22 1.018 2.254 -1.339
180 1HG1 ILE 22 1HG1 ILE 22 -1.832 2.972 -0.889
181 2HG1 ILE 22 2HG1 ILE 22 -0.717 3.369 0.398
182 1HG2 ILE 22 1HG2 ILE 22 -0.315 1.628 -3.107
183 2HG2 ILE 22 2HG2 ILE 22 -1.707 1.299 -2.072
184 3HG2 ILE 22 3HG2 ILE 22 -0.364 0.156 -2.137
185 1HD1 ILE 22 1HD1 ILE 22 -1.143 4.635 -2.156
186 2HD1 ILE 22 2HD1 ILE 22 0.557 4.268 -1.863
187 3HD1 ILE 22 3HD1 ILE 22 -0.349 5.240 -0.704
188 H LEU 23 H LEU 23 2.543 0.665 1.187
189 HA LEU 23 HA LEU 23 3.640 -1.156 -0.636
190 1HB LEU 23 1HB LEU 23 4.271 -0.402 2.191
191 2HB LEU 23 2HB LEU 23 5.096 -1.765 1.461
192 HG LEU 23 HG LEU 23 5.074 0.918 0.109
193 1HD1 LEU 23 1HD1 LEU 23 6.952 -0.024 2.269
194 2HD1 LEU 23 2HD1 LEU 23 5.905 1.395 2.306
195 3HD1 LEU 23 3HD1 LEU 23 7.271 1.336 1.192
196 1HD2 LEU 23 1HD2 LEU 23 7.115 0.089 -0.907
197 2HD2 LEU 23 2HD2 LEU 23 5.797 -1.053 -1.166
198 3HD2 LEU 23 3HD2 LEU 23 7.022 -1.384 0.058
199 H LEU 24 H LEU 24 1.469 -1.614 2.062
200 HA LEU 24 HA LEU 24 1.830 -4.313 2.655
201 1HB LEU 24 1HB LEU 24 -0.867 -2.965 2.517
202 2HB LEU 24 2HB LEU 24 -0.405 -4.320 3.524
203 HG LEU 24 HG LEU 24 1.112 -1.827 3.987
204 1HD1 LEU 24 1HD1 LEU 24 -1.283 -1.099 3.540
205 2HD1 LEU 24 2HD1 LEU 24 -0.605 -0.657 5.107
206 3HD1 LEU 24 3HD1 LEU 24 -1.721 -2.017 4.982
207 1HD2 LEU 24 1HD2 LEU 24 -0.275 -3.788 5.812
208 2HD2 LEU 24 2HD2 LEU 24 0.834 -2.508 6.306
209 3HD2 LEU 24 3HD2 LEU 24 1.420 -3.855 5.330
210 H HIS 25 H HIS 25 -0.185 -2.803 0.155
211 HA HIS 25 HA HIS 25 -1.299 -5.208 -0.842
212 1HB HIS 25 1HB HIS 25 -0.967 -2.644 -2.399
213 2HB HIS 25 2HB HIS 25 -2.190 -3.891 -2.620
214 HD1 HIS 25 HD1 HIS 25 -3.599 -4.193 -0.084
215 HD2 HIS 25 HD2 HIS 25 -2.058 -0.510 -1.233
216 HE1 HIS 25 HE1 HIS 25 -4.859 -2.449 1.241
217 H GLU 26 H GLU 26 1.612 -3.393 -1.669
218 HA GLU 26 HA GLU 26 2.262 -4.477 -4.118
219 1HB GLU 26 1HB GLU 26 3.816 -3.344 -1.865
220 2HB GLU 26 2HB GLU 26 4.722 -4.296 -3.031
221 1HG GLU 26 1HG GLU 26 4.900 -2.132 -3.834
222 2HG GLU 26 2HG GLU 26 3.605 -2.827 -4.808
223 H ASN 27 H ASN 27 2.875 -5.861 -0.902
224 HA ASN 27 HA ASN 27 3.088 -8.495 -2.125
225 1HB ASN 27 1HB ASN 27 5.390 -7.052 -1.275
226 2HB ASN 27 2HB ASN 27 5.139 -8.373 -0.137
227 1HD2 ASN 27 1HD2 ASN 27 5.650 -7.552 -3.505
228 2HD2 ASN 27 2HD2 ASN 27 6.218 -9.109 -3.993
229 H LYS 28 H LYS 28 1.827 -9.838 -1.030
230 HA LYS 28 HA LYS 28 1.687 -9.654 1.882
231 1HB LYS 28 1HB LYS 28 -0.747 -9.736 1.912
232 2HB LYS 28 2HB LYS 28 -0.196 -8.303 1.058
233 1HG LYS 28 1HG LYS 28 -1.665 -8.900 -0.509
234 2HG LYS 28 2HG LYS 28 -0.464 -10.104 -0.979
235 1HD LYS 28 1HD LYS 28 -1.554 -11.811 0.235
236 2HD LYS 28 2HD LYS 28 -2.553 -10.652 1.114
237 1HE LYS 28 1HE LYS 28 -2.777 -10.698 -1.846
238 2HE LYS 28 2HE LYS 28 -3.471 -12.051 -0.954
239 1HZ LYS 28 1HZ LYS 28 -4.780 -10.481 0.338
240 2HZ LYS 28 2HZ LYS 28 -5.097 -10.306 -1.314
241 3HZ LYS 28 3HZ LYS 28 -4.112 -9.183 -0.520
242 H LYS 29 H LYS 29 1.465 -11.590 2.896
243 HA LYS 29 HA LYS 29 0.462 -13.928 1.576
244 1HB LYS 29 1HB LYS 29 2.676 -15.194 1.951
245 2HB LYS 29 2HB LYS 29 2.539 -14.164 0.534
246 1HG LYS 29 1HG LYS 29 3.923 -12.513 1.462
247 2HG LYS 29 2HG LYS 29 3.781 -13.189 3.086
248 1HD LYS 29 1HD LYS 29 5.066 -15.129 2.434
249 2HD LYS 29 2HD LYS 29 5.114 -14.575 0.760
250 1HE LYS 29 1HE LYS 29 6.471 -12.696 1.351
251 2HE LYS 29 2HE LYS 29 6.272 -13.027 3.071
252 1HZ LYS 29 1HZ LYS 29 7.677 -14.788 1.132
253 2HZ LYS 29 2HZ LYS 29 7.504 -15.082 2.788
254 3HZ LYS 29 3HZ LYS 29 8.426 -13.769 2.256
Start of MODEL 32
1 H TYR 1 H TYR 1 -10.226 14.358 4.101
2 HA TYR 1 HA TYR 1 -7.296 14.099 4.061
3 1HB TYR 1 1HB TYR 1 -9.638 12.205 4.252
4 2HB TYR 1 2HB TYR 1 -8.039 11.652 3.764
5 HD1 TYR 1 HD1 TYR 1 -10.025 13.033 6.536
6 HD2 TYR 1 HD2 TYR 1 -6.255 11.449 5.363
7 HE1 TYR 1 HE1 TYR 1 -9.392 12.807 8.900
8 HE2 TYR 1 HE2 TYR 1 -5.611 11.217 7.724
9 HH TYR 1 HH TYR 1 -7.485 11.062 10.135
10 H LYS 2 H LYS 2 -6.607 14.781 2.117
11 HA LYS 2 HA LYS 2 -8.210 14.414 -0.267
12 1HB LYS 2 1HB LYS 2 -5.535 15.693 0.259
13 2HB LYS 2 2HB LYS 2 -6.159 15.476 -1.370
14 1HG LYS 2 1HG LYS 2 -8.250 16.707 -0.480
15 2HG LYS 2 2HG LYS 2 -7.182 17.227 0.824
16 1HD LYS 2 1HD LYS 2 -5.660 18.225 -0.777
17 2HD LYS 2 2HD LYS 2 -6.639 17.626 -2.117
18 1HE LYS 2 1HE LYS 2 -8.406 19.091 -1.627
19 2HE LYS 2 2HE LYS 2 -7.785 19.434 -0.013
20 1HZ LYS 2 1HZ LYS 2 -5.926 20.609 -1.016
21 2HZ LYS 2 2HZ LYS 2 -7.394 21.277 -1.523
22 3HZ LYS 2 3HZ LYS 2 -6.517 20.275 -2.566
23 H PHE 3 H PHE 3 -5.624 12.749 1.338
24 HA PHE 3 HA PHE 3 -4.835 11.286 -1.028
25 1HB PHE 3 1HB PHE 3 -3.943 10.861 1.824
26 2HB PHE 3 2HB PHE 3 -3.155 10.318 0.370
27 HD1 PHE 3 HD1 PHE 3 -2.112 11.991 -1.179
28 HD2 PHE 3 HD2 PHE 3 -3.516 13.009 2.705
29 HE1 PHE 3 HE1 PHE 3 -0.762 14.046 -1.233
30 HE2 PHE 3 HE2 PHE 3 -2.167 15.065 2.660
31 HZ PHE 3 HZ PHE 3 -0.788 15.587 0.688
32 H ALA 4 H ALA 4 -5.743 9.446 -1.642
33 HA ALA 4 HA ALA 4 -6.968 7.683 0.353
34 1HB ALA 4 1HB ALA 4 -8.353 8.557 -2.181
35 2HB ALA 4 2HB ALA 4 -8.784 9.052 -0.544
36 3HB ALA 4 3HB ALA 4 -8.955 7.366 -1.028
37 H CYS 5 H CYS 5 -6.859 5.508 -0.125
38 HA CYS 5 HA CYS 5 -4.921 4.753 -2.120
39 1HB CYS 5 1HB CYS 5 -5.283 3.748 0.258
40 2HB CYS 5 2HB CYS 5 -6.529 2.788 -0.523
41 HG CYS 5 HG CYS 5 -4.805 1.429 -1.681
42 HA PRO 6 HA PRO 6 -7.886 3.780 -5.289
43 1HB PRO 6 1HB PRO 6 -6.271 2.391 -6.950
44 2HB PRO 6 2HB PRO 6 -6.152 4.144 -6.763
45 1HG PRO 6 1HG PRO 6 -4.478 1.988 -5.534
46 2HG PRO 6 2HG PRO 6 -3.972 3.535 -6.236
47 1HD PRO 6 1HD PRO 6 -4.231 3.122 -3.555
48 2HD PRO 6 2HD PRO 6 -4.460 4.706 -4.324
49 H GLU 7 H GLU 7 -6.148 1.379 -3.465
50 HA GLU 7 HA GLU 7 -7.826 -0.789 -4.492
51 1HB GLU 7 1HB GLU 7 -5.332 -1.068 -4.301
52 2HB GLU 7 2HB GLU 7 -5.515 -0.969 -2.556
53 1HG GLU 7 1HG GLU 7 -5.334 -3.272 -3.282
54 2HG GLU 7 2HG GLU 7 -6.920 -2.960 -2.579
55 H CYS 8 H CYS 8 -6.881 0.720 -1.399
56 HA CYS 8 HA CYS 8 -9.283 -0.483 -0.181
57 1HB CYS 8 1HB CYS 8 -8.156 -0.554 1.919
58 2HB CYS 8 2HB CYS 8 -7.070 -1.243 0.728
59 HG CYS 8 HG CYS 8 -6.568 1.709 1.385
60 HA PRO 9 HA PRO 9 -10.587 3.588 0.948
61 1HB PRO 9 1HB PRO 9 -12.181 3.080 3.014
62 2HB PRO 9 2HB PRO 9 -12.497 2.360 1.432
63 1HG PRO 9 1HG PRO 9 -11.336 1.118 3.877
64 2HG PRO 9 2HG PRO 9 -12.388 0.403 2.645
65 1HD PRO 9 1HD PRO 9 -9.570 0.182 2.804
66 2HD PRO 9 2HD PRO 9 -10.598 -0.318 1.451
67 H LYS 10 H LYS 10 -7.910 3.326 1.955
68 HA LYS 10 HA LYS 10 -8.038 4.240 4.718
69 1HB LYS 10 1HB LYS 10 -5.601 3.791 2.980
70 2HB LYS 10 2HB LYS 10 -5.599 4.146 4.683
71 1HG LYS 10 1HG LYS 10 -7.119 1.769 3.789
72 2HG LYS 10 2HG LYS 10 -5.356 1.687 3.787
73 1HD LYS 10 1HD LYS 10 -6.892 2.636 6.187
74 2HD LYS 10 2HD LYS 10 -6.583 0.922 5.901
75 1HE LYS 10 1HE LYS 10 -4.151 1.457 5.766
76 2HE LYS 10 2HE LYS 10 -4.537 3.110 6.241
77 1HZ LYS 10 1HZ LYS 10 -3.851 1.801 8.140
78 2HZ LYS 10 2HZ LYS 10 -5.075 0.671 7.850
79 3HZ LYS 10 3HZ LYS 10 -5.474 2.251 8.304
80 H ARG 11 H ARG 11 -7.024 6.193 5.400
81 HA ARG 11 HA ARG 11 -6.600 8.261 3.379
82 1HB ARG 11 1HB ARG 11 -8.018 9.630 5.337
83 2HB ARG 11 2HB ARG 11 -8.600 9.199 3.739
84 1HG ARG 11 1HG ARG 11 -10.253 8.503 5.263
85 2HG ARG 11 2HG ARG 11 -9.420 7.039 4.741
86 1HD ARG 11 1HD ARG 11 -9.588 6.749 7.036
87 2HD ARG 11 2HD ARG 11 -7.961 7.394 6.842
88 HE ARG 11 HE ARG 11 -8.604 9.295 7.952
89 1HH1 ARG 11 1HH1 ARG 11 -11.464 7.460 7.104
90 2HH1 ARG 11 2HH1 ARG 11 -12.519 8.422 8.083
91 1HH2 ARG 11 1HH2 ARG 11 -10.002 10.555 9.243
92 2HH2 ARG 11 2HH2 ARG 11 -11.690 10.179 9.295
93 H PHE 12 H PHE 12 -4.907 9.542 3.866
94 HA PHE 12 HA PHE 12 -3.970 9.569 6.659
95 1HB PHE 12 1HB PHE 12 -2.215 9.400 4.235
96 2HB PHE 12 2HB PHE 12 -1.679 9.359 5.899
97 HD1 PHE 12 HD1 PHE 12 -4.203 7.546 3.836
98 HD2 PHE 12 HD2 PHE 12 -0.982 7.267 6.596
99 HE1 PHE 12 HE1 PHE 12 -4.390 5.115 3.784
100 HE2 PHE 12 HE2 PHE 12 -1.169 4.809 6.551
101 HZ PHE 12 HZ PHE 12 -2.883 3.733 5.129
102 H MET 13 H MET 13 -2.675 11.392 7.273
103 HA MET 13 HA MET 13 -3.609 13.846 6.088
104 1HB MET 13 1HB MET 13 -1.754 13.266 8.401
105 2HB MET 13 2HB MET 13 -2.164 14.895 7.884
106 1HG MET 13 1HG MET 13 -3.836 14.761 9.342
107 2HG MET 13 2HG MET 13 -4.625 13.730 8.150
108 1HE MET 13 1HE MET 13 -4.010 13.532 12.082
109 2HE MET 13 2HE MET 13 -5.338 12.421 11.743
110 3HE MET 13 3HE MET 13 -5.284 13.998 10.955
111 H ARG 14 H ARG 14 -0.678 11.937 6.034
112 HA ARG 14 HA ARG 14 0.749 14.038 4.567
113 1HB ARG 14 1HB ARG 14 1.640 11.488 5.901
114 2HB ARG 14 2HB ARG 14 2.689 12.376 4.810
115 1HG ARG 14 1HG ARG 14 3.323 13.138 6.901
116 2HG ARG 14 2HG ARG 14 2.218 14.392 6.337
117 1HD ARG 14 1HD ARG 14 0.736 13.976 7.966
118 2HD ARG 14 2HD ARG 14 0.884 12.226 7.774
119 HE ARG 14 HE ARG 14 2.397 12.197 9.490
120 1HH1 ARG 14 1HH1 ARG 14 1.980 15.511 8.436
121 2HH1 ARG 14 2HH1 ARG 14 2.927 16.169 9.728
122 1HH2 ARG 14 1HH2 ARG 14 3.648 13.068 11.183
123 2HH2 ARG 14 2HH2 ARG 14 3.875 14.782 11.287
124 H SER 15 H SER 15 1.982 13.394 2.633
125 HA SER 15 HA SER 15 0.341 11.718 0.910
126 1HB SER 15 1HB SER 15 1.005 13.000 -0.776
127 2HB SER 15 2HB SER 15 1.574 14.105 0.470
128 HG SER 15 HG SER 15 3.204 13.671 -1.063
129 H ASP 16 H ASP 16 3.729 11.923 1.976
130 HA ASP 16 HA ASP 16 4.563 9.598 0.563
131 1HB ASP 16 1HB ASP 16 5.919 11.609 1.711
132 2HB ASP 16 2HB ASP 16 6.042 10.414 2.996
133 H HIS 17 H HIS 17 3.358 10.189 3.825
134 HA HIS 17 HA HIS 17 3.963 7.668 4.925
135 1HB HIS 17 1HB HIS 17 1.917 9.769 5.589
136 2HB HIS 17 2HB HIS 17 1.957 8.237 6.449
137 HD1 HIS 17 HD1 HIS 17 2.419 10.217 8.389
138 HD2 HIS 17 HD2 HIS 17 5.531 9.142 5.855
139 HE1 HIS 17 HE1 HIS 17 4.519 10.970 9.547
140 HE2 HIS 17 HE2 HIS 17 6.394 10.223 8.041
141 H LEU 18 H LEU 18 0.951 8.888 3.432
142 HA LEU 18 HA LEU 18 -0.547 6.543 3.644
143 1HB LEU 18 1HB LEU 18 -1.394 8.783 2.952
144 2HB LEU 18 2HB LEU 18 -0.657 8.544 1.391
145 HG LEU 18 HG LEU 18 -2.606 6.517 2.393
146 1HD1 LEU 18 1HD1 LEU 18 -3.331 9.140 2.386
147 2HD1 LEU 18 2HD1 LEU 18 -4.430 7.781 2.147
148 3HD1 LEU 18 3HD1 LEU 18 -3.768 8.633 0.754
149 1HD2 LEU 18 1HD2 LEU 18 -1.246 7.145 -0.057
150 2HD2 LEU 18 2HD2 LEU 18 -2.992 7.113 -0.292
151 3HD2 LEU 18 3HD2 LEU 18 -2.165 5.706 0.389
152 H THR 19 H THR 19 1.616 7.658 1.053
153 HA THR 19 HA THR 19 1.185 5.479 -0.653
154 HB THR 19 HB THR 19 3.666 7.201 -0.418
155 HG1 THR 19 HG1 THR 19 2.270 8.657 -1.026
156 1HG2 THR 19 1HG2 THR 19 3.881 6.726 -2.865
157 2HG2 THR 19 2HG2 THR 19 2.680 5.452 -2.653
158 3HG2 THR 19 3HG2 THR 19 4.221 5.361 -1.801
159 H LEU 20 H LEU 20 3.340 5.960 2.093
160 HA LEU 20 HA LEU 20 4.999 3.705 1.702
161 1HB LEU 20 1HB LEU 20 5.214 5.691 3.373
162 2HB LEU 20 2HB LEU 20 4.212 4.707 4.421
163 HG LEU 20 HG LEU 20 5.948 2.879 4.183
164 1HD1 LEU 20 1HD1 LEU 20 8.222 3.672 3.549
165 2HD1 LEU 20 2HD1 LEU 20 7.483 5.150 2.931
166 3HD1 LEU 20 3HD1 LEU 20 7.086 3.593 2.203
167 1HD2 LEU 20 1HD2 LEU 20 6.823 5.478 5.440
168 2HD2 LEU 20 2HD2 LEU 20 7.435 3.872 5.836
169 3HD2 LEU 20 3HD2 LEU 20 5.755 4.284 6.178
170 H HIS 21 H HIS 21 1.820 4.148 3.085
171 HA HIS 21 HA HIS 21 1.501 1.670 4.369
172 1HB HIS 21 1HB HIS 21 -0.439 2.648 4.925
173 2HB HIS 21 2HB HIS 21 -0.032 4.001 3.911
174 HD1 HIS 21 HD1 HIS 21 -2.149 4.568 2.706
175 HD2 HIS 21 HD2 HIS 21 -1.429 0.490 2.755
176 HE1 HIS 21 HE1 HIS 21 -4.024 3.490 1.407
177 H ILE 22 H ILE 22 0.679 2.771 1.134
178 HA ILE 22 HA ILE 22 -0.571 0.412 0.290
179 HB ILE 22 HB ILE 22 0.787 2.294 -1.619
180 1HG1 ILE 22 1HG1 ILE 22 -2.014 2.815 -0.825
181 2HG1 ILE 22 2HG1 ILE 22 -0.814 3.238 0.370
182 1HG2 ILE 22 1HG2 ILE 22 -0.610 1.452 -3.193
183 2HG2 ILE 22 2HG2 ILE 22 -1.934 1.231 -2.047
184 3HG2 ILE 22 3HG2 ILE 22 -0.620 0.056 -2.115
185 1HD1 ILE 22 1HD1 ILE 22 -0.685 5.168 -0.689
186 2HD1 ILE 22 2HD1 ILE 22 -1.533 4.545 -2.103
187 3HD1 ILE 22 3HD1 ILE 22 0.205 4.300 -1.938
188 H LEU 23 H LEU 23 2.618 0.633 1.105
189 HA LEU 23 HA LEU 23 3.803 -0.869 -1.015
190 1HB LEU 23 1HB LEU 23 4.633 0.107 1.648
191 2HB LEU 23 2HB LEU 23 5.436 -1.347 1.093
192 HG LEU 23 HG LEU 23 6.081 -0.126 -0.992
193 1HD1 LEU 23 1HD1 LEU 23 4.926 2.219 0.504
194 2HD1 LEU 23 2HD1 LEU 23 4.402 1.584 -1.054
195 3HD1 LEU 23 3HD1 LEU 23 5.982 2.354 -0.900
196 1HD2 LEU 23 1HD2 LEU 23 7.903 1.063 0.019
197 2HD2 LEU 23 2HD2 LEU 23 7.578 -0.383 0.977
198 3HD2 LEU 23 3HD2 LEU 23 7.031 1.194 1.546
199 H LEU 24 H LEU 24 2.132 -1.651 1.990
200 HA LEU 24 HA LEU 24 2.898 -4.402 2.035
201 1HB LEU 24 1HB LEU 24 0.679 -4.534 3.477
202 2HB LEU 24 2HB LEU 24 2.195 -3.941 4.114
203 HG LEU 24 HG LEU 24 1.352 -1.607 3.583
204 1HD1 LEU 24 1HD1 LEU 24 -1.235 -3.130 3.268
205 2HD1 LEU 24 2HD1 LEU 24 -0.436 -2.141 2.046
206 3HD1 LEU 24 3HD1 LEU 24 -1.117 -1.382 3.483
207 1HD2 LEU 24 1HD2 LEU 24 1.309 -3.002 5.797
208 2HD2 LEU 24 2HD2 LEU 24 -0.437 -2.897 5.568
209 3HD2 LEU 24 3HD2 LEU 24 0.527 -1.424 5.698
210 H HIS 25 H HIS 25 0.457 -2.651 0.306
211 HA HIS 25 HA HIS 25 -1.470 -4.585 -0.150
212 1HB HIS 25 1HB HIS 25 -0.521 -2.192 -1.624
213 2HB HIS 25 2HB HIS 25 -1.494 -3.343 -2.533
214 HD1 HIS 25 HD1 HIS 25 -3.794 -4.053 -0.911
215 HD2 HIS 25 HD2 HIS 25 -2.064 -0.291 -0.590
216 HE1 HIS 25 HE1 HIS 25 -5.559 -2.541 0.091
217 H GLU 26 H GLU 26 1.703 -4.247 -1.647
218 HA GLU 26 HA GLU 26 1.381 -5.934 -3.836
219 1HB GLU 26 1HB GLU 26 3.378 -4.471 -3.284
220 2HB GLU 26 2HB GLU 26 3.907 -5.743 -2.194
221 1HG GLU 26 1HG GLU 26 3.364 -6.242 -5.103
222 2HG GLU 26 2HG GLU 26 4.933 -5.703 -4.509
223 H ASN 27 H ASN 27 3.092 -6.920 -0.849
224 HA ASN 27 HA ASN 27 1.560 -9.219 -0.355
225 1HB ASN 27 1HB ASN 27 2.865 -9.716 -2.607
226 2HB ASN 27 2HB ASN 27 4.183 -10.076 -1.498
227 1HD2 ASN 27 1HD2 ASN 27 0.926 -10.939 -2.451
228 2HD2 ASN 27 2HD2 ASN 27 0.945 -12.526 -1.767
229 H LYS 28 H LYS 28 2.049 -10.059 1.606
230 HA LYS 28 HA LYS 28 4.233 -8.819 3.071
231 1HB LYS 28 1HB LYS 28 3.205 -9.718 5.061
232 2HB LYS 28 2HB LYS 28 1.968 -8.961 4.071
233 1HG LYS 28 1HG LYS 28 0.815 -10.836 4.433
234 2HG LYS 28 2HG LYS 28 1.860 -11.541 3.199
235 1HD LYS 28 1HD LYS 28 2.118 -13.065 4.899
236 2HD LYS 28 2HD LYS 28 3.455 -11.967 5.243
237 1HE LYS 28 1HE LYS 28 0.945 -11.158 6.494
238 2HE LYS 28 2HE LYS 28 1.501 -12.746 7.019
239 1HZ LYS 28 1HZ LYS 28 2.385 -11.017 8.436
240 2HZ LYS 28 2HZ LYS 28 3.081 -10.231 7.111
241 3HZ LYS 28 3HZ LYS 28 3.645 -11.754 7.582
242 H LYS 29 H LYS 29 3.369 -11.939 1.741
243 HA LYS 29 HA LYS 29 5.219 -13.518 3.188
244 1HB LYS 29 1HB LYS 29 3.201 -14.067 1.454
245 2HB LYS 29 2HB LYS 29 4.595 -14.347 0.422
246 1HG LYS 29 1HG LYS 29 5.482 -15.833 2.282
247 2HG LYS 29 2HG LYS 29 3.864 -15.732 2.980
248 1HD LYS 29 1HD LYS 29 3.177 -16.393 0.498
249 2HD LYS 29 2HD LYS 29 4.795 -17.095 0.509
250 1HE LYS 29 1HE LYS 29 2.923 -17.636 2.777
251 2HE LYS 29 2HE LYS 29 2.736 -18.516 1.261
252 1HZ LYS 29 1HZ LYS 29 4.124 -19.749 2.772
253 2HZ LYS 29 2HZ LYS 29 5.178 -18.438 2.951
254 3HZ LYS 29 3HZ LYS 29 5.058 -19.230 1.460
Start of MODEL 33
1 H TYR 1 H TYR 1 -7.868 13.724 6.412
2 HA TYR 1 HA TYR 1 -7.362 11.129 5.142
3 1HB TYR 1 1HB TYR 1 -9.879 11.201 4.674
4 2HB TYR 1 2HB TYR 1 -9.393 10.757 6.304
5 HD1 TYR 1 HD1 TYR 1 -11.051 13.272 4.238
6 HD2 TYR 1 HD2 TYR 1 -9.774 12.290 8.176
7 HE1 TYR 1 HE1 TYR 1 -12.496 15.044 5.141
8 HE2 TYR 1 HE2 TYR 1 -11.215 14.060 9.090
9 HH TYR 1 HH TYR 1 -12.257 16.475 7.721
10 H LYS 2 H LYS 2 -5.964 13.149 4.235
11 HA LYS 2 HA LYS 2 -7.374 14.840 2.399
12 1HB LYS 2 1HB LYS 2 -4.454 14.285 2.880
13 2HB LYS 2 2HB LYS 2 -4.998 15.325 1.570
14 1HG LYS 2 1HG LYS 2 -6.160 16.739 3.247
15 2HG LYS 2 2HG LYS 2 -5.445 15.742 4.517
16 1HD LYS 2 1HD LYS 2 -3.246 16.363 3.062
17 2HD LYS 2 2HD LYS 2 -4.222 17.813 2.816
18 1HE LYS 2 1HE LYS 2 -4.310 18.276 5.116
19 2HE LYS 2 2HE LYS 2 -3.775 16.653 5.548
20 1HZ LYS 2 1HZ LYS 2 -1.602 17.173 4.599
21 2HZ LYS 2 2HZ LYS 2 -2.001 18.248 5.842
22 3HZ LYS 2 3HZ LYS 2 -2.122 18.741 4.230
23 H PHE 3 H PHE 3 -5.155 12.069 1.981
24 HA PHE 3 HA PHE 3 -5.965 11.867 -0.819
25 1HB PHE 3 1HB PHE 3 -3.617 11.037 0.763
26 2HB PHE 3 2HB PHE 3 -4.127 9.896 -0.468
27 HD1 PHE 3 HD1 PHE 3 -2.603 13.109 0.194
28 HD2 PHE 3 HD2 PHE 3 -4.143 10.557 -2.844
29 HE1 PHE 3 HE1 PHE 3 -1.444 14.448 -1.514
30 HE2 PHE 3 HE2 PHE 3 -2.987 11.891 -4.557
31 HZ PHE 3 HZ PHE 3 -1.635 13.839 -3.892
32 H ALA 4 H ALA 4 -5.999 9.441 -1.583
33 HA ALA 4 HA ALA 4 -7.375 7.693 0.303
34 1HB ALA 4 1HB ALA 4 -9.185 8.999 -0.675
35 2HB ALA 4 2HB ALA 4 -9.264 7.321 -1.217
36 3HB ALA 4 3HB ALA 4 -8.637 8.568 -2.295
37 H CYS 5 H CYS 5 -7.096 5.531 -0.135
38 HA CYS 5 HA CYS 5 -5.086 4.861 -2.093
39 1HB CYS 5 1HB CYS 5 -5.331 3.853 0.262
40 2HB CYS 5 2HB CYS 5 -6.622 2.881 -0.422
41 HG CYS 5 HG CYS 5 -4.771 1.337 -0.904
42 HA PRO 6 HA PRO 6 -7.949 3.642 -5.271
43 1HB PRO 6 1HB PRO 6 -6.236 2.358 -6.908
44 2HB PRO 6 2HB PRO 6 -6.217 4.115 -6.719
45 1HG PRO 6 1HG PRO 6 -4.434 2.056 -5.483
46 2HG PRO 6 2HG PRO 6 -4.013 3.637 -6.163
47 1HD PRO 6 1HD PRO 6 -4.297 3.158 -3.484
48 2HD PRO 6 2HD PRO 6 -4.556 4.747 -4.235
49 H GLU 7 H GLU 7 -6.114 1.398 -3.363
50 HA GLU 7 HA GLU 7 -7.588 -0.905 -4.405
51 1HB GLU 7 1HB GLU 7 -5.029 -0.500 -2.984
52 2HB GLU 7 2HB GLU 7 -5.934 -1.933 -2.520
53 1HG GLU 7 1HG GLU 7 -5.907 -2.760 -4.760
54 2HG GLU 7 2HG GLU 7 -5.215 -1.252 -5.358
55 H CYS 8 H CYS 8 -6.875 0.749 -1.329
56 HA CYS 8 HA CYS 8 -9.248 -0.558 -0.159
57 1HB CYS 8 1HB CYS 8 -8.170 -0.545 1.977
58 2HB CYS 8 2HB CYS 8 -7.045 -1.236 0.822
59 HG CYS 8 HG CYS 8 -5.464 0.603 1.233
60 HA PRO 9 HA PRO 9 -10.739 3.473 0.862
61 1HB PRO 9 1HB PRO 9 -12.231 3.006 3.027
62 2HB PRO 9 2HB PRO 9 -12.595 2.240 1.477
63 1HG PRO 9 1HG PRO 9 -11.330 1.086 3.909
64 2HG PRO 9 2HG PRO 9 -12.389 0.314 2.718
65 1HD PRO 9 1HD PRO 9 -9.570 0.168 2.823
66 2HD PRO 9 2HD PRO 9 -10.607 -0.389 1.502
67 H LYS 10 H LYS 10 -7.996 3.146 1.934
68 HA LYS 10 HA LYS 10 -8.111 4.347 4.577
69 1HB LYS 10 1HB LYS 10 -5.712 3.704 2.856
70 2HB LYS 10 2HB LYS 10 -5.653 4.267 4.500
71 1HG LYS 10 1HG LYS 10 -7.257 1.843 4.058
72 2HG LYS 10 2HG LYS 10 -5.517 1.683 3.810
73 1HD LYS 10 1HD LYS 10 -6.215 3.164 6.230
74 2HD LYS 10 2HD LYS 10 -6.814 1.504 6.223
75 1HE LYS 10 1HE LYS 10 -4.604 0.646 5.835
76 2HE LYS 10 2HE LYS 10 -3.963 2.275 5.619
77 1HZ LYS 10 1HZ LYS 10 -4.481 2.746 7.933
78 2HZ LYS 10 2HZ LYS 10 -3.453 1.408 7.811
79 3HZ LYS 10 3HZ LYS 10 -5.096 1.182 8.139
80 H ARG 11 H ARG 11 -7.149 6.349 5.081
81 HA ARG 11 HA ARG 11 -6.695 8.218 2.881
82 1HB ARG 11 1HB ARG 11 -8.558 8.767 5.189
83 2HB ARG 11 2HB ARG 11 -8.102 9.910 3.946
84 1HG ARG 11 1HG ARG 11 -10.063 9.266 3.048
85 2HG ARG 11 2HG ARG 11 -9.066 7.969 2.388
86 1HD ARG 11 1HD ARG 11 -10.944 6.892 3.298
87 2HD ARG 11 2HD ARG 11 -9.662 6.657 4.484
88 HE ARG 11 HE ARG 11 -11.096 8.971 5.158
89 1HH1 ARG 11 1HH1 ARG 11 -11.548 5.499 5.042
90 2HH1 ARG 11 2HH1 ARG 11 -12.715 5.487 6.320
91 1HH2 ARG 11 1HH2 ARG 11 -12.635 8.947 6.838
92 2HH2 ARG 11 2HH2 ARG 11 -13.334 7.444 7.340
93 H PHE 12 H PHE 12 -5.156 9.743 3.306
94 HA PHE 12 HA PHE 12 -4.141 9.976 6.045
95 1HB PHE 12 1HB PHE 12 -2.330 9.499 3.707
96 2HB PHE 12 2HB PHE 12 -1.862 9.601 5.389
97 HD1 PHE 12 HD1 PHE 12 -4.237 7.629 3.286
98 HD2 PHE 12 HD2 PHE 12 -1.340 7.599 6.402
99 HE1 PHE 12 HE1 PHE 12 -4.457 5.199 3.453
100 HE2 PHE 12 HE2 PHE 12 -1.561 5.151 6.576
101 HZ PHE 12 HZ PHE 12 -3.119 3.949 5.086
102 H MET 13 H MET 13 -3.127 11.898 6.549
103 HA MET 13 HA MET 13 -3.803 14.149 4.903
104 1HB MET 13 1HB MET 13 -2.443 13.794 7.553
105 2HB MET 13 2HB MET 13 -2.366 15.348 6.734
106 1HG MET 13 1HG MET 13 -4.484 15.851 7.226
107 2HG MET 13 2HG MET 13 -5.056 14.219 6.888
108 1HE MET 13 1HE MET 13 -5.486 12.451 8.512
109 2HE MET 13 2HE MET 13 -6.668 13.700 8.906
110 3HE MET 13 3HE MET 13 -5.824 12.845 10.198
111 H ARG 14 H ARG 14 -0.983 12.167 5.375
112 HA ARG 14 HA ARG 14 0.717 14.059 3.920
113 1HB ARG 14 1HB ARG 14 1.363 11.517 5.425
114 2HB ARG 14 2HB ARG 14 2.550 12.453 4.529
115 1HG ARG 14 1HG ARG 14 2.189 14.358 5.985
116 2HG ARG 14 2HG ARG 14 0.934 13.476 6.855
117 1HD ARG 14 1HD ARG 14 2.875 13.300 8.180
118 2HD ARG 14 2HD ARG 14 2.700 11.740 7.374
119 HE ARG 14 HE ARG 14 4.354 12.954 5.702
120 1HH1 ARG 14 1HH1 ARG 14 4.429 12.864 9.207
121 2HH1 ARG 14 2HH1 ARG 14 6.152 13.016 9.291
122 1HH2 ARG 14 1HH2 ARG 14 6.616 13.157 5.826
123 2HH2 ARG 14 2HH2 ARG 14 7.393 13.184 7.373
124 H SER 15 H SER 15 2.031 13.281 2.140
125 HA SER 15 HA SER 15 0.537 11.427 0.456
126 1HB SER 15 1HB SER 15 0.981 12.993 -1.036
127 2HB SER 15 2HB SER 15 2.191 13.758 -0.011
128 HG SER 15 HG SER 15 2.494 11.911 -2.060
129 H ASP 16 H ASP 16 3.831 11.879 1.718
130 HA ASP 16 HA ASP 16 4.902 9.537 0.519
131 1HB ASP 16 1HB ASP 16 6.119 11.618 1.525
132 2HB ASP 16 2HB ASP 16 6.032 10.705 3.025
133 H HIS 17 H HIS 17 3.813 10.232 3.846
134 HA HIS 17 HA HIS 17 4.306 7.688 4.909
135 1HB HIS 17 1HB HIS 17 2.514 9.956 5.665
136 2HB HIS 17 2HB HIS 17 2.280 8.402 6.451
137 HD1 HIS 17 HD1 HIS 17 3.006 9.670 8.659
138 HD2 HIS 17 HD2 HIS 17 5.969 9.259 5.775
139 HE1 HIS 17 HE1 HIS 17 5.163 10.166 9.836
140 HE2 HIS 17 HE2 HIS 17 6.926 10.051 8.043
141 H LEU 18 H LEU 18 1.449 8.988 3.261
142 HA LEU 18 HA LEU 18 -0.284 6.828 3.638
143 1HB LEU 18 1HB LEU 18 -0.863 9.061 2.698
144 2HB LEU 18 2HB LEU 18 -0.084 8.599 1.207
145 HG LEU 18 HG LEU 18 -2.313 6.942 2.315
146 1HD1 LEU 18 1HD1 LEU 18 -3.472 8.914 2.284
147 2HD1 LEU 18 2HD1 LEU 18 -3.688 8.385 0.617
148 3HD1 LEU 18 3HD1 LEU 18 -2.473 9.603 1.008
149 1HD2 LEU 18 1HD2 LEU 18 -1.703 5.775 0.520
150 2HD2 LEU 18 2HD2 LEU 18 -0.781 7.120 -0.158
151 3HD2 LEU 18 3HD2 LEU 18 -2.527 7.038 -0.400
152 H THR 19 H THR 19 2.011 7.507 1.011
153 HA THR 19 HA THR 19 1.477 5.226 -0.503
154 HB THR 19 HB THR 19 4.109 6.712 -0.286
155 HG1 THR 19 HG1 THR 19 2.918 8.274 -1.035
156 1HG2 THR 19 1HG2 THR 19 4.336 6.069 -2.689
157 2HG2 THR 19 2HG2 THR 19 2.989 4.955 -2.451
158 3HG2 THR 19 3HG2 THR 19 4.484 4.738 -1.541
159 H LEU 20 H LEU 20 3.501 5.727 2.322
160 HA LEU 20 HA LEU 20 5.043 3.380 2.198
161 1HB LEU 20 1HB LEU 20 5.311 5.375 3.765
162 2HB LEU 20 2HB LEU 20 4.044 4.659 4.740
163 HG LEU 20 HG LEU 20 5.557 2.564 4.801
164 1HD1 LEU 20 1HD1 LEU 20 7.090 3.297 3.036
165 2HD1 LEU 20 2HD1 LEU 20 7.934 3.002 4.555
166 3HD1 LEU 20 3HD1 LEU 20 7.593 4.655 4.042
167 1HD2 LEU 20 1HD2 LEU 20 6.781 3.444 6.722
168 2HD2 LEU 20 2HD2 LEU 20 5.104 3.990 6.732
169 3HD2 LEU 20 3HD2 LEU 20 6.386 5.090 6.227
170 H HIS 21 H HIS 21 1.784 4.018 3.340
171 HA HIS 21 HA HIS 21 1.281 1.564 4.627
172 1HB HIS 21 1HB HIS 21 -0.657 2.606 5.075
173 2HB HIS 21 2HB HIS 21 -0.111 3.963 4.135
174 HD1 HIS 21 HD1 HIS 21 -2.027 4.684 2.710
175 HD2 HIS 21 HD2 HIS 21 -1.684 0.560 2.867
176 HE1 HIS 21 HE1 HIS 21 -3.891 3.750 1.282
177 H ILE 22 H ILE 22 0.634 2.689 1.360
178 HA ILE 22 HA ILE 22 -0.682 0.401 0.455
179 HB ILE 22 HB ILE 22 0.919 2.182 -1.365
180 1HG1 ILE 22 1HG1 ILE 22 -1.911 2.828 -0.774
181 2HG1 ILE 22 2HG1 ILE 22 -0.763 3.237 0.477
182 1HG2 ILE 22 1HG2 ILE 22 -1.804 1.272 -2.024
183 2HG2 ILE 22 2HG2 ILE 22 -0.578 0.007 -1.943
184 3HG2 ILE 22 3HG2 ILE 22 -0.366 1.370 -3.041
185 1HD1 ILE 22 1HD1 ILE 22 -1.350 4.567 -1.981
186 2HD1 ILE 22 2HD1 ILE 22 0.363 4.158 -1.892
187 3HD1 ILE 22 3HD1 ILE 22 -0.386 5.107 -0.610
188 H LEU 23 H LEU 23 2.529 0.547 1.373
189 HA LEU 23 HA LEU 23 3.775 -1.032 -0.602
190 1HB LEU 23 1HB LEU 23 4.362 -0.314 2.222
191 2HB LEU 23 2HB LEU 23 5.196 -1.703 1.554
192 HG LEU 23 HG LEU 23 5.225 0.905 0.080
193 1HD1 LEU 23 1HD1 LEU 23 7.057 0.134 2.349
194 2HD1 LEU 23 2HD1 LEU 23 5.910 1.474 2.335
195 3HD1 LEU 23 3HD1 LEU 23 7.300 1.494 1.252
196 1HD2 LEU 23 1HD2 LEU 23 6.038 -1.213 -0.960
197 2HD2 LEU 23 2HD2 LEU 23 7.273 -1.297 0.296
198 3HD2 LEU 23 3HD2 LEU 23 7.263 0.051 -0.841
199 H LEU 24 H LEU 24 1.850 -1.844 2.269
200 HA LEU 24 HA LEU 24 2.417 -4.615 2.266
201 1HB LEU 24 1HB LEU 24 -0.023 -4.683 3.322
202 2HB LEU 24 2HB LEU 24 1.402 -4.218 4.220
203 HG LEU 24 HG LEU 24 0.802 -1.821 3.712
204 1HD1 LEU 24 1HD1 LEU 24 -0.683 -1.982 1.881
205 2HD1 LEU 24 2HD1 LEU 24 -1.679 -1.510 3.257
206 3HD1 LEU 24 3HD1 LEU 24 -1.680 -3.183 2.699
207 1HD2 LEU 24 1HD2 LEU 24 -0.396 -1.690 5.644
208 2HD2 LEU 24 2HD2 LEU 24 0.250 -3.326 5.781
209 3HD2 LEU 24 3HD2 LEU 24 -1.409 -3.077 5.239
210 H HIS 25 H HIS 25 0.249 -2.706 0.314
211 HA HIS 25 HA HIS 25 -1.489 -4.734 -0.565
212 1HB HIS 25 1HB HIS 25 -0.607 -2.115 -1.751
213 2HB HIS 25 2HB HIS 25 -1.655 -3.201 -2.654
214 HD1 HIS 25 HD1 HIS 25 -3.824 -4.009 -0.903
215 HD2 HIS 25 HD2 HIS 25 -2.067 -0.267 -0.505
216 HE1 HIS 25 HE1 HIS 25 -5.506 -2.557 0.308
217 H GLU 26 H GLU 26 1.647 -3.634 -1.799
218 HA GLU 26 HA GLU 26 1.633 -5.425 -4.039
219 1HB GLU 26 1HB GLU 26 2.868 -3.331 -4.148
220 2HB GLU 26 2HB GLU 26 3.867 -3.816 -2.785
221 1HG GLU 26 1HG GLU 26 3.817 -5.548 -5.204
222 2HG GLU 26 2HG GLU 26 4.718 -4.034 -5.258
223 H ASN 27 H ASN 27 3.743 -5.276 -1.148
224 HA ASN 27 HA ASN 27 4.212 -8.163 -1.438
225 1HB ASN 27 1HB ASN 27 6.207 -7.837 -0.072
226 2HB ASN 27 2HB ASN 27 6.221 -6.726 -1.437
227 1HD2 ASN 27 1HD2 ASN 27 6.053 -4.532 -1.075
228 2HD2 ASN 27 2HD2 ASN 27 6.167 -3.832 0.500
229 H LYS 28 H LYS 28 3.666 -9.592 0.126
230 HA LYS 28 HA LYS 28 1.700 -8.891 2.014
231 1HB LYS 28 1HB LYS 28 1.602 -11.141 2.574
232 2HB LYS 28 2HB LYS 28 2.228 -11.194 0.934
233 1HG LYS 28 1HG LYS 28 3.983 -11.316 3.373
234 2HG LYS 28 2HG LYS 28 3.323 -12.742 2.574
235 1HD LYS 28 1HD LYS 28 4.468 -12.164 0.519
236 2HD LYS 28 2HD LYS 28 5.054 -10.663 1.237
237 1HE LYS 28 1HE LYS 28 5.858 -12.630 3.019
238 2HE LYS 28 2HE LYS 28 6.116 -13.355 1.433
239 1HZ LYS 28 1HZ LYS 28 8.064 -12.138 2.207
240 2HZ LYS 28 2HZ LYS 28 7.160 -10.711 2.300
241 3HZ LYS 28 3HZ LYS 28 7.434 -11.444 0.799
242 H LYS 29 H LYS 29 1.753 -8.448 4.161
243 HA LYS 29 HA LYS 29 4.060 -8.837 5.795
244 1HB LYS 29 1HB LYS 29 4.250 -6.606 4.233
245 2HB LYS 29 2HB LYS 29 3.500 -5.948 5.680
246 1HG LYS 29 1HG LYS 29 5.612 -7.633 6.517
247 2HG LYS 29 2HG LYS 29 6.227 -6.606 5.219
248 1HD LYS 29 1HD LYS 29 6.593 -5.242 7.023
249 2HD LYS 29 2HD LYS 29 4.969 -4.723 6.568
250 1HE LYS 29 1HE LYS 29 4.979 -7.000 8.392
251 2HE LYS 29 2HE LYS 29 5.759 -5.571 9.066
252 1HZ LYS 29 1HZ LYS 29 3.026 -5.643 7.903
253 2HZ LYS 29 2HZ LYS 29 3.773 -4.295 8.598
254 3HZ LYS 29 3HZ LYS 29 3.385 -5.633 9.555
Start of MODEL 34
1 H TYR 1 H TYR 1 -8.228 14.861 5.784
2 HA TYR 1 HA TYR 1 -7.680 12.175 4.716
3 1HB TYR 1 1HB TYR 1 -10.311 13.581 4.549
4 2HB TYR 1 2HB TYR 1 -9.967 11.867 4.740
5 HD1 TYR 1 HD1 TYR 1 -9.198 11.047 7.026
6 HD2 TYR 1 HD2 TYR 1 -10.849 14.919 6.399
7 HE1 TYR 1 HE1 TYR 1 -9.679 11.227 9.430
8 HE2 TYR 1 HE2 TYR 1 -11.333 15.108 8.801
9 HH TYR 1 HH TYR 1 -10.129 13.817 11.029
10 H LYS 2 H LYS 2 -6.126 13.556 3.319
11 HA LYS 2 HA LYS 2 -7.514 14.981 1.179
12 1HB LYS 2 1HB LYS 2 -4.609 14.706 1.926
13 2HB LYS 2 2HB LYS 2 -5.119 15.426 0.405
14 1HG LYS 2 1HG LYS 2 -6.557 16.979 1.872
15 2HG LYS 2 2HG LYS 2 -5.522 16.434 3.192
16 1HD LYS 2 1HD LYS 2 -4.353 17.481 0.635
17 2HD LYS 2 2HD LYS 2 -4.866 18.577 1.918
18 1HE LYS 2 1HE LYS 2 -3.334 17.587 3.468
19 2HE LYS 2 2HE LYS 2 -2.943 16.295 2.333
20 1HZ LYS 2 1HZ LYS 2 -1.214 17.972 2.376
21 2HZ LYS 2 2HZ LYS 2 -2.326 19.176 1.958
22 3HZ LYS 2 3HZ LYS 2 -1.962 17.945 0.858
23 H PHE 3 H PHE 3 -5.124 12.347 1.510
24 HA PHE 3 HA PHE 3 -5.664 11.510 -1.227
25 1HB PHE 3 1HB PHE 3 -3.498 11.091 0.735
26 2HB PHE 3 2HB PHE 3 -3.854 9.723 -0.303
27 HD1 PHE 3 HD1 PHE 3 -3.859 10.110 -2.824
28 HD2 PHE 3 HD2 PHE 3 -2.203 12.863 -0.032
29 HE1 PHE 3 HE1 PHE 3 -2.531 11.132 -4.625
30 HE2 PHE 3 HE2 PHE 3 -0.873 13.890 -1.828
31 HZ PHE 3 HZ PHE 3 -1.037 13.026 -4.129
32 H ALA 4 H ALA 4 -5.783 9.110 -1.617
33 HA ALA 4 HA ALA 4 -6.993 7.498 0.449
34 1HB ALA 4 1HB ALA 4 -9.086 7.095 -0.749
35 2HB ALA 4 2HB ALA 4 -8.618 8.280 -1.969
36 3HB ALA 4 3HB ALA 4 -8.917 8.795 -0.309
37 H CYS 5 H CYS 5 -6.591 5.372 0.113
38 HA CYS 5 HA CYS 5 -4.852 4.587 -1.969
39 1HB CYS 5 1HB CYS 5 -5.108 3.528 0.347
40 2HB CYS 5 2HB CYS 5 -6.492 2.675 -0.316
41 HG CYS 5 HG CYS 5 -3.864 1.588 -0.481
42 HA PRO 6 HA PRO 6 -7.789 3.669 -5.170
43 1HB PRO 6 1HB PRO 6 -6.180 2.257 -6.817
44 2HB PRO 6 2HB PRO 6 -6.026 4.006 -6.618
45 1HG PRO 6 1HG PRO 6 -4.421 1.810 -5.368
46 2HG PRO 6 2HG PRO 6 -3.865 3.343 -6.067
47 1HD PRO 6 1HD PRO 6 -4.167 2.949 -3.391
48 2HD PRO 6 2HD PRO 6 -4.367 4.534 -4.168
49 H GLU 7 H GLU 7 -6.207 1.256 -3.252
50 HA GLU 7 HA GLU 7 -7.908 -0.873 -4.344
51 1HB GLU 7 1HB GLU 7 -5.274 -0.968 -3.877
52 2HB GLU 7 2HB GLU 7 -5.841 -1.456 -2.286
53 1HG GLU 7 1HG GLU 7 -7.130 -3.269 -3.320
54 2HG GLU 7 2HG GLU 7 -6.512 -2.790 -4.900
55 H CYS 8 H CYS 8 -6.919 0.582 -1.237
56 HA CYS 8 HA CYS 8 -9.343 -0.579 -0.022
57 1HB CYS 8 1HB CYS 8 -8.188 -0.566 2.105
58 2HB CYS 8 2HB CYS 8 -7.212 -1.410 0.915
59 HG CYS 8 HG CYS 8 -6.500 1.528 1.552
60 HA PRO 9 HA PRO 9 -10.645 3.504 1.042
61 1HB PRO 9 1HB PRO 9 -12.177 3.076 3.178
62 2HB PRO 9 2HB PRO 9 -12.548 2.326 1.622
63 1HG PRO 9 1HG PRO 9 -11.325 1.126 4.058
64 2HG PRO 9 2HG PRO 9 -12.431 0.399 2.881
65 1HD PRO 9 1HD PRO 9 -9.628 0.113 2.954
66 2HD PRO 9 2HD PRO 9 -10.701 -0.364 1.626
67 H LYS 10 H LYS 10 -7.931 3.199 2.057
68 HA LYS 10 HA LYS 10 -8.036 4.323 4.743
69 1HB LYS 10 1HB LYS 10 -5.554 3.845 3.100
70 2HB LYS 10 2HB LYS 10 -5.665 4.079 4.817
71 1HG LYS 10 1HG LYS 10 -7.218 1.801 3.896
72 2HG LYS 10 2HG LYS 10 -5.492 1.670 3.555
73 1HD LYS 10 1HD LYS 10 -5.261 2.459 6.049
74 2HD LYS 10 2HD LYS 10 -6.905 1.832 6.177
75 1HE LYS 10 1HE LYS 10 -5.417 0.073 6.792
76 2HE LYS 10 2HE LYS 10 -6.072 -0.318 5.204
77 1HZ LYS 10 1HZ LYS 10 -3.475 1.066 5.493
78 2HZ LYS 10 2HZ LYS 10 -4.066 0.196 4.169
79 3HZ LYS 10 3HZ LYS 10 -3.585 -0.620 5.569
80 H ARG 11 H ARG 11 -7.278 6.355 5.280
81 HA ARG 11 HA ARG 11 -6.750 8.227 3.081
82 1HB ARG 11 1HB ARG 11 -8.500 8.867 5.449
83 2HB ARG 11 2HB ARG 11 -8.183 9.886 4.061
84 1HG ARG 11 1HG ARG 11 -9.866 8.999 2.929
85 2HG ARG 11 2HG ARG 11 -9.273 7.363 3.218
86 1HD ARG 11 1HD ARG 11 -10.853 8.963 5.222
87 2HD ARG 11 2HD ARG 11 -11.574 7.816 4.094
88 HE ARG 11 HE ARG 11 -9.742 6.292 5.304
89 1HH1 ARG 11 1HH1 ARG 11 -12.121 8.493 6.636
90 2HH1 ARG 11 2HH1 ARG 11 -12.290 7.607 8.113
91 1HH2 ARG 11 1HH2 ARG 11 -9.971 5.133 7.253
92 2HH2 ARG 11 2HH2 ARG 11 -11.070 5.701 8.465
93 H PHE 12 H PHE 12 -5.122 9.638 3.444
94 HA PHE 12 HA PHE 12 -4.103 9.925 6.185
95 1HB PHE 12 1HB PHE 12 -2.340 9.401 3.816
96 2HB PHE 12 2HB PHE 12 -1.817 9.581 5.474
97 HD1 PHE 12 HD1 PHE 12 -4.317 7.512 3.626
98 HD2 PHE 12 HD2 PHE 12 -1.158 7.614 6.471
99 HE1 PHE 12 HE1 PHE 12 -4.500 5.096 3.900
100 HE2 PHE 12 HE2 PHE 12 -1.341 5.173 6.753
101 HZ PHE 12 HZ PHE 12 -3.019 3.910 5.449
102 H MET 13 H MET 13 -3.014 11.833 6.646
103 HA MET 13 HA MET 13 -3.730 14.074 4.982
104 1HB MET 13 1HB MET 13 -2.263 13.839 7.609
105 2HB MET 13 2HB MET 13 -2.502 15.376 6.791
106 1HG MET 13 1HG MET 13 -5.018 14.607 6.804
107 2HG MET 13 2HG MET 13 -4.469 13.627 8.162
108 1HE MET 13 1HE MET 13 -3.898 14.262 10.265
109 2HE MET 13 2HE MET 13 -4.041 15.851 11.016
110 3HE MET 13 3HE MET 13 -2.584 15.428 10.117
111 H ARG 14 H ARG 14 -0.932 12.086 5.470
112 HA ARG 14 HA ARG 14 0.801 13.982 4.059
113 1HB ARG 14 1HB ARG 14 1.420 11.416 5.532
114 2HB ARG 14 2HB ARG 14 2.619 12.367 4.668
115 1HG ARG 14 1HG ARG 14 2.923 13.119 6.805
116 2HG ARG 14 2HG ARG 14 1.762 14.302 6.201
117 1HD ARG 14 1HD ARG 14 0.350 13.752 7.824
118 2HD ARG 14 2HD ARG 14 0.305 12.091 7.225
119 HE ARG 14 HE ARG 14 2.598 12.670 8.862
120 1HH1 ARG 14 1HH1 ARG 14 -0.755 11.660 8.895
121 2HH1 ARG 14 2HH1 ARG 14 -0.624 10.855 10.421
122 1HH2 ARG 14 1HH2 ARG 14 2.763 11.604 10.871
123 2HH2 ARG 14 2HH2 ARG 14 1.372 10.823 11.543
124 H SER 15 H SER 15 2.103 13.225 2.269
125 HA SER 15 HA SER 15 0.604 11.393 0.567
126 1HB SER 15 1HB SER 15 1.042 13.019 -0.869
127 2HB SER 15 2HB SER 15 2.329 13.698 0.125
128 HG SER 15 HG SER 15 3.770 12.607 -0.993
129 H ASP 16 H ASP 16 3.899 11.802 1.843
130 HA ASP 16 HA ASP 16 4.904 9.433 0.613
131 1HB ASP 16 1HB ASP 16 6.920 9.812 1.868
132 2HB ASP 16 2HB ASP 16 6.333 11.367 1.297
133 H HIS 17 H HIS 17 3.594 10.176 3.818
134 HA HIS 17 HA HIS 17 4.203 7.673 5.002
135 1HB HIS 17 1HB HIS 17 2.165 9.798 5.650
136 2HB HIS 17 2HB HIS 17 2.296 8.313 6.579
137 HD1 HIS 17 HD1 HIS 17 2.850 10.045 8.563
138 HD2 HIS 17 HD2 HIS 17 5.728 9.659 5.593
139 HE1 HIS 17 HE1 HIS 17 4.944 11.037 9.525
140 HE2 HIS 17 HE2 HIS 17 6.697 10.716 7.745
141 H LEU 18 H LEU 18 1.313 8.922 3.353
142 HA LEU 18 HA LEU 18 -0.351 6.704 3.695
143 1HB LEU 18 1HB LEU 18 -0.927 8.985 2.746
144 2HB LEU 18 2HB LEU 18 -0.267 8.428 1.230
145 HG LEU 18 HG LEU 18 -2.405 6.823 2.549
146 1HD1 LEU 18 1HD1 LEU 18 -3.610 8.752 2.631
147 2HD1 LEU 18 2HD1 LEU 18 -3.920 8.287 0.961
148 3HD1 LEU 18 3HD1 LEU 18 -2.697 9.506 1.329
149 1HD2 LEU 18 1HD2 LEU 18 -1.914 5.671 0.698
150 2HD2 LEU 18 2HD2 LEU 18 -1.150 7.057 -0.086
151 3HD2 LEU 18 3HD2 LEU 18 -2.906 6.888 -0.110
152 H THR 19 H THR 19 1.955 7.476 1.104
153 HA THR 19 HA THR 19 1.471 5.224 -0.469
154 HB THR 19 HB THR 19 4.052 6.778 -0.173
155 HG1 THR 19 HG1 THR 19 1.832 7.126 -1.905
156 1HG2 THR 19 1HG2 THR 19 4.577 4.811 -1.378
157 2HG2 THR 19 2HG2 THR 19 4.400 6.107 -2.560
158 3HG2 THR 19 3HG2 THR 19 3.106 4.929 -2.343
159 H LEU 20 H LEU 20 3.484 5.683 2.384
160 HA LEU 20 HA LEU 20 5.024 3.340 2.244
161 1HB LEU 20 1HB LEU 20 5.356 5.211 3.863
162 2HB LEU 20 2HB LEU 20 3.927 4.680 4.724
163 HG LEU 20 HG LEU 20 6.157 4.009 5.709
164 1HD1 LEU 20 1HD1 LEU 20 4.702 1.495 5.189
165 2HD1 LEU 20 2HD1 LEU 20 3.763 2.828 5.861
166 3HD1 LEU 20 3HD1 LEU 20 5.189 2.236 6.714
167 1HD2 LEU 20 1HD2 LEU 20 6.157 1.934 3.530
168 2HD2 LEU 20 2HD2 LEU 20 7.387 2.222 4.761
169 3HD2 LEU 20 3HD2 LEU 20 7.140 3.397 3.470
170 H HIS 21 H HIS 21 1.800 3.964 3.544
171 HA HIS 21 HA HIS 21 1.262 1.456 4.645
172 1HB HIS 21 1HB HIS 21 -0.654 2.492 5.175
173 2HB HIS 21 2HB HIS 21 -0.105 3.890 4.292
174 HD1 HIS 21 HD1 HIS 21 -2.075 4.697 2.986
175 HD2 HIS 21 HD2 HIS 21 -1.698 0.582 2.823
176 HE1 HIS 21 HE1 HIS 21 -3.952 3.853 1.529
177 H ILE 22 H ILE 22 0.462 2.758 1.459
178 HA ILE 22 HA ILE 22 -0.896 0.578 0.450
179 HB ILE 22 HB ILE 22 0.797 2.352 -1.299
180 1HG1 ILE 22 1HG1 ILE 22 -2.029 3.041 -0.698
181 2HG1 ILE 22 2HG1 ILE 22 -0.863 3.402 0.553
182 1HG2 ILE 22 1HG2 ILE 22 -1.953 1.335 -1.882
183 2HG2 ILE 22 2HG2 ILE 22 -0.555 0.286 -2.129
184 3HG2 ILE 22 3HG2 ILE 22 -0.678 1.811 -3.004
185 1HD1 ILE 22 1HD1 ILE 22 -1.462 4.832 -1.823
186 2HD1 ILE 22 2HD1 ILE 22 0.228 4.330 -1.856
187 3HD1 ILE 22 3HD1 ILE 22 -0.388 5.269 -0.496
188 H LEU 23 H LEU 23 2.462 0.724 1.112
189 HA LEU 23 HA LEU 23 3.488 -1.018 -0.829
190 1HB LEU 23 1HB LEU 23 4.436 0.211 1.507
191 2HB LEU 23 2HB LEU 23 4.663 -1.508 1.751
192 HG LEU 23 HG LEU 23 5.812 -1.514 -0.539
193 1HD1 LEU 23 1HD1 LEU 23 6.822 0.634 -1.184
194 2HD1 LEU 23 2HD1 LEU 23 5.855 1.443 0.048
195 3HD1 LEU 23 3HD1 LEU 23 5.063 0.653 -1.315
196 1HD2 LEU 23 1HD2 LEU 23 6.959 -1.752 1.636
197 2HD2 LEU 23 2HD2 LEU 23 7.128 0.001 1.711
198 3HD2 LEU 23 3HD2 LEU 23 7.935 -0.908 0.434
199 H LEU 24 H LEU 24 1.483 -1.591 1.971
200 HA LEU 24 HA LEU 24 1.903 -4.283 2.493
201 1HB LEU 24 1HB LEU 24 -0.808 -2.951 2.448
202 2HB LEU 24 2HB LEU 24 -0.345 -4.363 3.375
203 HG LEU 24 HG LEU 24 1.185 -1.893 3.939
204 1HD1 LEU 24 1HD1 LEU 24 -1.606 -2.174 5.024
205 2HD1 LEU 24 2HD1 LEU 24 -1.242 -1.185 3.610
206 3HD1 LEU 24 3HD1 LEU 24 -0.505 -0.803 5.166
207 1HD2 LEU 24 1HD2 LEU 24 -0.115 -3.989 5.676
208 2HD2 LEU 24 2HD2 LEU 24 0.972 -2.713 6.225
209 3HD2 LEU 24 3HD2 LEU 24 1.571 -3.980 5.153
210 H HIS 25 H HIS 25 -0.325 -2.809 0.148
211 HA HIS 25 HA HIS 25 -1.376 -5.195 -0.901
212 1HB HIS 25 1HB HIS 25 -1.056 -2.609 -2.433
213 2HB HIS 25 2HB HIS 25 -2.270 -3.860 -2.678
214 HD1 HIS 25 HD1 HIS 25 -3.939 -4.149 -0.445
215 HD2 HIS 25 HD2 HIS 25 -1.919 -0.552 -0.950
216 HE1 HIS 25 HE1 HIS 25 -5.145 -2.446 0.989
217 H GLU 26 H GLU 26 1.379 -3.206 -1.943
218 HA GLU 26 HA GLU 26 2.035 -5.132 -4.033
219 1HB GLU 26 1HB GLU 26 2.154 -2.552 -4.250
220 2HB GLU 26 2HB GLU 26 3.658 -2.694 -3.352
221 1HG GLU 26 1HG GLU 26 4.732 -3.812 -5.062
222 2HG GLU 26 2HG GLU 26 3.223 -4.351 -5.796
223 H ASN 27 H ASN 27 2.266 -6.552 -1.883
224 HA ASN 27 HA ASN 27 5.024 -7.211 -1.703
225 1HB ASN 27 1HB ASN 27 4.740 -5.201 -0.112
226 2HB ASN 27 2HB ASN 27 3.846 -6.312 0.922
227 1HD2 ASN 27 1HD2 ASN 27 6.949 -5.778 -0.660
228 2HD2 ASN 27 2HD2 ASN 27 7.886 -6.680 0.476
229 H LYS 28 H LYS 28 4.362 -9.265 -2.263
230 HA LYS 28 HA LYS 28 3.454 -10.932 -0.116
231 1HB LYS 28 1HB LYS 28 1.390 -11.683 -0.978
232 2HB LYS 28 2HB LYS 28 1.326 -9.932 -1.091
233 1HG LYS 28 1HG LYS 28 2.159 -11.615 -3.428
234 2HG LYS 28 2HG LYS 28 0.462 -11.309 -3.065
235 1HD LYS 28 1HD LYS 28 0.611 -9.077 -3.581
236 2HD LYS 28 2HD LYS 28 2.329 -8.990 -3.189
237 1HE LYS 28 1HE LYS 28 2.366 -8.832 -5.489
238 2HE LYS 28 2HE LYS 28 2.604 -10.562 -5.244
239 1HZ LYS 28 1HZ LYS 28 0.033 -9.228 -5.908
240 2HZ LYS 28 2HZ LYS 28 0.224 -10.885 -5.626
241 3HZ LYS 28 3HZ LYS 28 0.973 -10.164 -6.959
242 H LYS 29 H LYS 29 3.976 -13.068 -0.401
243 HA LYS 29 HA LYS 29 4.496 -14.304 -2.882
244 1HB LYS 29 1HB LYS 29 7.023 -14.584 -2.475
245 2HB LYS 29 2HB LYS 29 6.462 -13.069 -3.167
246 1HG LYS 29 1HG LYS 29 6.458 -12.750 -0.359
247 2HG LYS 29 2HG LYS 29 7.990 -13.506 -0.805
248 1HD LYS 29 1HD LYS 29 8.546 -11.739 -2.272
249 2HD LYS 29 2HD LYS 29 6.905 -11.091 -2.235
250 1HE LYS 29 1HE LYS 29 8.262 -11.279 0.374
251 2HE LYS 29 2HE LYS 29 8.956 -10.123 -0.762
252 1HZ LYS 29 1HZ LYS 29 7.249 -9.139 0.673
253 2HZ LYS 29 2HZ LYS 29 6.097 -10.201 0.038
254 3HZ LYS 29 3HZ LYS 29 6.827 -9.050 -0.964
Start of MODEL 35
1 H TYR 1 H TYR 1 -7.104 13.612 6.840
2 HA TYR 1 HA TYR 1 -7.239 11.417 5.748
3 1HB TYR 1 1HB TYR 1 -10.188 12.013 6.100
4 2HB TYR 1 2HB TYR 1 -9.550 10.771 5.033
5 HD1 TYR 1 HD1 TYR 1 -7.339 9.772 6.880
6 HD2 TYR 1 HD2 TYR 1 -11.442 10.659 7.575
7 HE1 TYR 1 HE1 TYR 1 -7.364 8.166 8.739
8 HE2 TYR 1 HE2 TYR 1 -11.477 9.056 9.439
9 HH TYR 1 HH TYR 1 -9.211 8.065 11.061
10 H LYS 2 H LYS 2 -6.108 12.799 4.351
11 HA LYS 2 HA LYS 2 -7.653 14.662 2.715
12 1HB LYS 2 1HB LYS 2 -5.444 15.302 3.764
13 2HB LYS 2 2HB LYS 2 -4.673 14.186 2.646
14 1HG LYS 2 1HG LYS 2 -5.205 15.488 0.787
15 2HG LYS 2 2HG LYS 2 -6.445 16.390 1.662
16 1HD LYS 2 1HD LYS 2 -4.673 17.896 1.529
17 2HD LYS 2 2HD LYS 2 -4.503 17.207 3.145
18 1HE LYS 2 1HE LYS 2 -2.346 17.018 2.437
19 2HE LYS 2 2HE LYS 2 -2.971 15.480 1.846
20 1HZ LYS 2 1HZ LYS 2 -3.261 16.451 -0.330
21 2HZ LYS 2 2HZ LYS 2 -1.661 16.660 0.172
22 3HZ LYS 2 3HZ LYS 2 -2.740 17.961 0.227
23 H PHE 3 H PHE 3 -5.201 12.118 2.123
24 HA PHE 3 HA PHE 3 -6.127 11.831 -0.610
25 1HB PHE 3 1HB PHE 3 -3.790 10.818 0.970
26 2HB PHE 3 2HB PHE 3 -4.217 10.065 -0.550
27 HD1 PHE 3 HD1 PHE 3 -2.500 12.747 1.019
28 HD2 PHE 3 HD2 PHE 3 -4.364 11.562 -2.620
29 HE1 PHE 3 HE1 PHE 3 -1.254 14.494 -0.184
30 HE2 PHE 3 HE2 PHE 3 -3.121 13.307 -3.829
31 HZ PHE 3 HZ PHE 3 -1.564 14.776 -2.611
32 H ALA 4 H ALA 4 -5.974 9.355 -1.343
33 HA ALA 4 HA ALA 4 -7.192 7.522 0.529
34 1HB ALA 4 1HB ALA 4 -9.134 8.791 -0.227
35 2HB ALA 4 2HB ALA 4 -9.200 7.127 -0.807
36 3HB ALA 4 3HB ALA 4 -8.727 8.424 -1.905
37 H CYS 5 H CYS 5 -6.865 5.397 -0.018
38 HA CYS 5 HA CYS 5 -4.970 4.858 -2.099
39 1HB CYS 5 1HB CYS 5 -5.171 3.674 0.179
40 2HB CYS 5 2HB CYS 5 -6.479 2.758 -0.555
41 HG CYS 5 HG CYS 5 -3.894 1.739 -0.701
42 HA PRO 6 HA PRO 6 -7.860 3.932 -5.344
43 1HB PRO 6 1HB PRO 6 -6.222 2.539 -6.991
44 2HB PRO 6 2HB PRO 6 -6.111 4.292 -6.795
45 1HG PRO 6 1HG PRO 6 -4.458 2.137 -5.534
46 2HG PRO 6 2HG PRO 6 -3.936 3.679 -6.238
47 1HD PRO 6 1HD PRO 6 -4.217 3.304 -3.568
48 2HD PRO 6 2HD PRO 6 -4.496 4.873 -4.352
49 H GLU 7 H GLU 7 -6.194 1.476 -3.520
50 HA GLU 7 HA GLU 7 -7.908 -0.632 -4.609
51 1HB GLU 7 1HB GLU 7 -5.285 -0.567 -3.195
52 2HB GLU 7 2HB GLU 7 -6.298 -1.986 -2.994
53 1HG GLU 7 1HG GLU 7 -4.870 -2.500 -4.770
54 2HG GLU 7 2HG GLU 7 -6.410 -2.088 -5.525
55 H CYS 8 H CYS 8 -6.802 0.639 -1.453
56 HA CYS 8 HA CYS 8 -9.180 -0.574 -0.211
57 1HB CYS 8 1HB CYS 8 -8.003 -0.541 1.873
58 2HB CYS 8 2HB CYS 8 -6.927 -1.220 0.664
59 HG CYS 8 HG CYS 8 -5.347 0.634 1.001
60 HA PRO 9 HA PRO 9 -10.708 3.415 0.901
61 1HB PRO 9 1HB PRO 9 -12.077 2.902 3.142
62 2HB PRO 9 2HB PRO 9 -12.515 2.163 1.599
63 1HG PRO 9 1HG PRO 9 -11.136 0.972 3.944
64 2HG PRO 9 2HG PRO 9 -12.224 0.213 2.772
65 1HD PRO 9 1HD PRO 9 -9.395 0.119 2.780
66 2HD PRO 9 2HD PRO 9 -10.472 -0.447 1.493
67 H LYS 10 H LYS 10 -7.901 2.924 2.002
68 HA LYS 10 HA LYS 10 -7.923 4.181 4.596
69 1HB LYS 10 1HB LYS 10 -5.584 3.639 2.760
70 2HB LYS 10 2HB LYS 10 -5.475 4.138 4.420
71 1HG LYS 10 1HG LYS 10 -6.999 1.667 3.844
72 2HG LYS 10 2HG LYS 10 -5.241 1.611 3.704
73 1HD LYS 10 1HD LYS 10 -4.915 1.965 5.945
74 2HD LYS 10 2HD LYS 10 -6.426 2.856 6.135
75 1HE LYS 10 1HE LYS 10 -6.658 0.762 7.263
76 2HE LYS 10 2HE LYS 10 -7.651 0.707 5.808
77 1HZ LYS 10 1HZ LYS 10 -6.036 -0.634 4.722
78 2HZ LYS 10 2HZ LYS 10 -6.317 -1.332 6.237
79 3HZ LYS 10 3HZ LYS 10 -4.912 -0.427 5.970
80 H ARG 11 H ARG 11 -6.993 6.216 5.076
81 HA ARG 11 HA ARG 11 -6.681 8.100 2.867
82 1HB ARG 11 1HB ARG 11 -8.474 8.603 5.238
83 2HB ARG 11 2HB ARG 11 -8.121 9.740 3.956
84 1HG ARG 11 1HG ARG 11 -9.409 8.601 2.403
85 2HG ARG 11 2HG ARG 11 -9.360 7.097 3.323
86 1HD ARG 11 1HD ARG 11 -10.557 9.038 4.984
87 2HD ARG 11 2HD ARG 11 -11.300 9.198 3.394
88 HE ARG 11 HE ARG 11 -12.268 7.127 3.654
89 1HH1 ARG 11 1HH1 ARG 11 -9.927 7.626 6.213
90 2HH1 ARG 11 2HH1 ARG 11 -10.448 6.249 7.123
91 1HH2 ARG 11 1HH2 ARG 11 -12.947 5.317 4.859
92 2HH2 ARG 11 2HH2 ARG 11 -12.161 4.938 6.355
93 H PHE 12 H PHE 12 -5.162 9.650 3.227
94 HA PHE 12 HA PHE 12 -4.104 9.999 5.935
95 1HB PHE 12 1HB PHE 12 -2.286 9.462 3.616
96 2HB PHE 12 2HB PHE 12 -1.835 9.592 5.299
97 HD1 PHE 12 HD1 PHE 12 -4.162 7.576 3.193
98 HD2 PHE 12 HD2 PHE 12 -1.331 7.614 6.365
99 HE1 PHE 12 HE1 PHE 12 -4.379 5.150 3.401
100 HE2 PHE 12 HE2 PHE 12 -1.546 5.169 6.582
101 HZ PHE 12 HZ PHE 12 -3.073 3.935 5.083
102 H MET 13 H MET 13 -3.179 11.969 6.348
103 HA MET 13 HA MET 13 -3.821 14.095 4.514
104 1HB MET 13 1HB MET 13 -2.577 14.021 7.257
105 2HB MET 13 2HB MET 13 -2.704 15.512 6.335
106 1HG MET 13 1HG MET 13 -5.111 15.315 6.280
107 2HG MET 13 2HG MET 13 -5.025 13.762 7.110
108 1HE MET 13 1HE MET 13 -4.398 14.543 10.724
109 2HE MET 13 2HE MET 13 -3.817 13.500 9.427
110 3HE MET 13 3HE MET 13 -5.549 13.688 9.697
111 H ARG 14 H ARG 14 -1.080 12.130 5.147
112 HA ARG 14 HA ARG 14 0.761 14.036 3.897
113 1HB ARG 14 1HB ARG 14 1.311 11.387 5.251
114 2HB ARG 14 2HB ARG 14 2.534 12.475 4.614
115 1HG ARG 14 1HG ARG 14 2.565 12.961 6.865
116 2HG ARG 14 2HG ARG 14 1.484 14.205 6.234
117 1HD ARG 14 1HD ARG 14 -0.095 13.516 7.635
118 2HD ARG 14 2HD ARG 14 -0.111 11.951 6.817
119 HE ARG 14 HE ARG 14 1.943 12.297 8.835
120 1HH1 ARG 14 1HH1 ARG 14 -1.280 11.127 8.117
121 2HH1 ARG 14 2HH1 ARG 14 -1.322 10.049 9.469
122 1HH2 ARG 14 1HH2 ARG 14 1.882 10.872 10.614
123 2HH2 ARG 14 2HH2 ARG 14 0.472 9.903 10.886
124 H SER 15 H SER 15 2.184 13.284 2.186
125 HA SER 15 HA SER 15 0.765 11.521 0.343
126 1HB SER 15 1HB SER 15 1.301 13.172 -1.029
127 2HB SER 15 2HB SER 15 2.512 13.831 0.066
128 HG SER 15 HG SER 15 4.031 12.780 -0.978
129 H ASP 16 H ASP 16 4.015 11.912 1.745
130 HA ASP 16 HA ASP 16 5.045 9.538 0.549
131 1HB ASP 16 1HB ASP 16 7.031 9.920 1.846
132 2HB ASP 16 2HB ASP 16 6.454 11.476 1.267
133 H HIS 17 H HIS 17 3.633 10.275 3.712
134 HA HIS 17 HA HIS 17 4.239 7.768 4.901
135 1HB HIS 17 1HB HIS 17 2.175 9.874 5.536
136 2HB HIS 17 2HB HIS 17 2.333 8.394 6.469
137 HD1 HIS 17 HD1 HIS 17 2.833 10.233 8.410
138 HD2 HIS 17 HD2 HIS 17 5.767 9.700 5.520
139 HE1 HIS 17 HE1 HIS 17 4.921 11.232 9.382
140 HE2 HIS 17 HE2 HIS 17 6.706 10.822 7.653
141 H LEU 18 H LEU 18 1.393 9.011 3.175
142 HA LEU 18 HA LEU 18 -0.281 6.797 3.509
143 1HB LEU 18 1HB LEU 18 -0.896 9.032 2.555
144 2HB LEU 18 2HB LEU 18 -0.118 8.558 1.068
145 HG LEU 18 HG LEU 18 -2.298 6.862 2.207
146 1HD1 LEU 18 1HD1 LEU 18 -3.991 8.176 1.442
147 2HD1 LEU 18 2HD1 LEU 18 -2.975 8.968 0.238
148 3HD1 LEU 18 3HD1 LEU 18 -2.847 9.424 1.936
149 1HD2 LEU 18 1HD2 LEU 18 -1.698 5.710 0.401
150 2HD2 LEU 18 2HD2 LEU 18 -0.798 7.068 -0.278
151 3HD2 LEU 18 3HD2 LEU 18 -2.543 6.964 -0.511
152 H THR 19 H THR 19 2.104 7.534 0.980
153 HA THR 19 HA THR 19 1.638 5.275 -0.589
154 HB THR 19 HB THR 19 4.234 6.794 -0.239
155 HG1 THR 19 HG1 THR 19 2.049 7.195 -2.001
156 1HG2 THR 19 1HG2 THR 19 4.744 4.821 -1.443
157 2HG2 THR 19 2HG2 THR 19 4.617 6.130 -2.619
158 3HG2 THR 19 3HG2 THR 19 3.295 4.976 -2.438
159 H LEU 20 H LEU 20 3.566 5.735 2.317
160 HA LEU 20 HA LEU 20 5.097 3.381 2.225
161 1HB LEU 20 1HB LEU 20 5.428 5.263 3.825
162 2HB LEU 20 2HB LEU 20 3.973 4.771 4.665
163 HG LEU 20 HG LEU 20 6.164 4.081 5.715
164 1HD1 LEU 20 1HD1 LEU 20 5.156 2.327 6.715
165 2HD1 LEU 20 2HD1 LEU 20 4.687 1.580 5.188
166 3HD1 LEU 20 3HD1 LEU 20 3.757 2.933 5.830
167 1HD2 LEU 20 1HD2 LEU 20 7.133 3.407 3.446
168 2HD2 LEU 20 2HD2 LEU 20 6.211 1.916 3.639
169 3HD2 LEU 20 3HD2 LEU 20 7.448 2.346 4.819
170 H HIS 21 H HIS 21 1.855 4.041 3.471
171 HA HIS 21 HA HIS 21 1.268 1.580 4.620
172 1HB HIS 21 1HB HIS 21 -0.684 2.611 5.018
173 2HB HIS 21 2HB HIS 21 -0.085 3.988 4.134
174 HD1 HIS 21 HD1 HIS 21 -1.937 4.772 2.657
175 HD2 HIS 21 HD2 HIS 21 -1.651 0.646 2.706
176 HE1 HIS 21 HE1 HIS 21 -3.744 3.898 1.127
177 H ILE 22 H ILE 22 0.595 2.738 1.356
178 HA ILE 22 HA ILE 22 -0.754 0.562 0.371
179 HB ILE 22 HB ILE 22 1.099 2.230 -1.323
180 1HG1 ILE 22 1HG1 ILE 22 -1.766 2.934 -0.945
181 2HG1 ILE 22 2HG1 ILE 22 -0.673 3.359 0.351
182 1HG2 ILE 22 1HG2 ILE 22 -0.165 1.582 -3.127
183 2HG2 ILE 22 2HG2 ILE 22 -1.598 1.278 -2.141
184 3HG2 ILE 22 3HG2 ILE 22 -0.264 0.121 -2.142
185 1HD1 ILE 22 1HD1 ILE 22 0.598 4.209 -1.959
186 2HD1 ILE 22 2HD1 ILE 22 -0.243 5.201 -0.767
187 3HD1 ILE 22 3HD1 ILE 22 -1.102 4.614 -2.189
188 H LEU 23 H LEU 23 2.602 0.649 1.151
189 HA LEU 23 HA LEU 23 3.629 -1.247 -0.630
190 1HB LEU 23 1HB LEU 23 4.366 -0.238 2.040
191 2HB LEU 23 2HB LEU 23 4.970 -1.837 1.660
192 HG LEU 23 HG LEU 23 5.379 0.319 -0.355
193 1HD1 LEU 23 1HD1 LEU 23 6.905 0.079 2.230
194 2HD1 LEU 23 2HD1 LEU 23 6.034 1.486 1.617
195 3HD1 LEU 23 3HD1 LEU 23 7.501 0.936 0.808
196 1HD2 LEU 23 1HD2 LEU 23 7.109 -1.957 0.609
197 2HD2 LEU 23 2HD2 LEU 23 7.417 -0.918 -0.783
198 3HD2 LEU 23 3HD2 LEU 23 6.035 -2.016 -0.789
199 H LEU 24 H LEU 24 1.498 -1.603 2.119
200 HA LEU 24 HA LEU 24 1.808 -4.298 2.751
201 1HB LEU 24 1HB LEU 24 -0.850 -2.872 2.633
202 2HB LEU 24 2HB LEU 24 -0.427 -4.243 3.636
203 HG LEU 24 HG LEU 24 1.179 -1.802 4.078
204 1HD1 LEU 24 1HD1 LEU 24 -1.633 -1.900 5.139
205 2HD1 LEU 24 2HD1 LEU 24 -1.213 -1.016 3.670
206 3HD1 LEU 24 3HD1 LEU 24 -0.477 -0.571 5.211
207 1HD2 LEU 24 1HD2 LEU 24 1.454 -3.835 5.413
208 2HD2 LEU 24 2HD2 LEU 24 -0.232 -3.730 5.918
209 3HD2 LEU 24 3HD2 LEU 24 0.913 -2.479 6.402
210 H HIS 25 H HIS 25 -0.297 -2.786 0.318
211 HA HIS 25 HA HIS 25 -1.533 -5.082 -0.668
212 1HB HIS 25 1HB HIS 25 -0.806 -2.580 -2.212
213 2HB HIS 25 2HB HIS 25 -2.022 -3.765 -2.676
214 HD1 HIS 25 HD1 HIS 25 -3.807 -4.077 -0.360
215 HD2 HIS 25 HD2 HIS 25 -2.040 -0.420 -1.241
216 HE1 HIS 25 HE1 HIS 25 -5.213 -2.312 0.779
217 H GLU 26 H GLU 26 1.528 -3.562 -1.618
218 HA GLU 26 HA GLU 26 2.069 -5.295 -3.795
219 1HB GLU 26 1HB GLU 26 3.806 -3.499 -2.110
220 2HB GLU 26 2HB GLU 26 4.474 -4.487 -3.400
221 1HG GLU 26 1HG GLU 26 4.140 -2.480 -4.462
222 2HG GLU 26 2HG GLU 26 2.664 -3.352 -4.867
223 H ASN 27 H ASN 27 3.140 -5.298 -0.401
224 HA ASN 27 HA ASN 27 3.330 -8.160 -0.378
225 1HB ASN 27 1HB ASN 27 5.676 -6.673 -1.040
226 2HB ASN 27 2HB ASN 27 5.898 -7.361 0.566
227 1HD2 ASN 27 1HD2 ASN 27 5.333 -9.708 0.757
228 2HD2 ASN 27 2HD2 ASN 27 5.778 -10.734 -0.560
229 H LYS 28 H LYS 28 2.846 -8.880 1.600
230 HA LYS 28 HA LYS 28 2.468 -6.980 3.736
231 1HB LYS 28 1HB LYS 28 0.990 -9.030 3.118
232 2HB LYS 28 2HB LYS 28 2.162 -9.950 4.050
233 1HG LYS 28 1HG LYS 28 1.394 -9.184 6.013
234 2HG LYS 28 2HG LYS 28 1.142 -7.551 5.395
235 1HD LYS 28 1HD LYS 28 -0.866 -8.491 4.154
236 2HD LYS 28 2HD LYS 28 -0.670 -9.940 5.143
237 1HE LYS 28 1HE LYS 28 -0.902 -8.584 7.169
238 2HE LYS 28 2HE LYS 28 -1.099 -7.139 6.179
239 1HZ LYS 28 1HZ LYS 28 -2.920 -9.485 6.206
240 2HZ LYS 28 2HZ LYS 28 -3.107 -8.113 5.235
241 3HZ LYS 28 3HZ LYS 28 -3.230 -7.981 6.917
242 H LYS 29 H LYS 29 3.636 -6.750 5.576
243 HA LYS 29 HA LYS 29 6.040 -8.433 5.862
244 1HB LYS 29 1HB LYS 29 7.092 -6.402 6.941
245 2HB LYS 29 2HB LYS 29 6.809 -6.288 5.210
246 1HG LYS 29 1HG LYS 29 4.640 -5.262 6.919
247 2HG LYS 29 2HG LYS 29 6.160 -4.368 6.984
248 1HD LYS 29 1HD LYS 29 5.235 -5.104 4.283
249 2HD LYS 29 2HD LYS 29 4.220 -3.944 5.142
250 1HE LYS 29 1HE LYS 29 5.689 -2.509 4.141
251 2HE LYS 29 2HE LYS 29 6.542 -2.807 5.655
252 1HZ LYS 29 1HZ LYS 29 7.989 -2.971 3.698
253 2HZ LYS 29 2HZ LYS 29 7.056 -4.253 3.111
254 3HZ LYS 29 3HZ LYS 29 7.918 -4.428 4.556
Start of MODEL 36
1 H TYR 1 H TYR 1 -7.280 14.666 6.104
2 HA TYR 1 HA TYR 1 -7.236 12.320 5.316
3 1HB TYR 1 1HB TYR 1 -10.192 12.855 4.945
4 2HB TYR 1 2HB TYR 1 -9.322 11.379 4.548
5 HD1 TYR 1 HD1 TYR 1 -11.716 12.375 6.610
6 HD2 TYR 1 HD2 TYR 1 -7.776 10.795 6.923
7 HE1 TYR 1 HE1 TYR 1 -12.259 11.475 8.832
8 HE2 TYR 1 HE2 TYR 1 -8.311 9.888 9.145
9 HH TYR 1 HH TYR 1 -11.044 9.265 10.271
10 H LYS 2 H LYS 2 -5.949 13.357 3.830
11 HA LYS 2 HA LYS 2 -7.201 15.114 1.859
12 1HB LYS 2 1HB LYS 2 -4.891 15.442 3.122
13 2HB LYS 2 2HB LYS 2 -4.291 14.467 1.788
14 1HG LYS 2 1HG LYS 2 -4.235 16.257 0.493
15 2HG LYS 2 2HG LYS 2 -5.971 16.484 0.710
16 1HD LYS 2 1HD LYS 2 -5.112 18.492 1.482
17 2HD LYS 2 2HD LYS 2 -5.288 17.563 2.973
18 1HE LYS 2 1HE LYS 2 -2.777 16.862 2.192
19 2HE LYS 2 2HE LYS 2 -2.868 18.524 1.611
20 1HZ LYS 2 1HZ LYS 2 -2.004 18.448 3.852
21 2HZ LYS 2 2HZ LYS 2 -3.374 17.620 4.396
22 3HZ LYS 2 3HZ LYS 2 -3.512 19.214 3.849
23 H PHE 3 H PHE 3 -5.018 12.279 1.835
24 HA PHE 3 HA PHE 3 -5.829 11.729 -0.924
25 1HB PHE 3 1HB PHE 3 -3.443 11.170 0.725
26 2HB PHE 3 2HB PHE 3 -3.907 9.905 -0.397
27 HD1 PHE 3 HD1 PHE 3 -2.420 13.158 -0.010
28 HD2 PHE 3 HD2 PHE 3 -4.033 10.418 -2.839
29 HE1 PHE 3 HE1 PHE 3 -1.307 14.384 -1.827
30 HE2 PHE 3 HE2 PHE 3 -2.921 11.640 -4.662
31 HZ PHE 3 HZ PHE 3 -1.555 13.626 -4.157
32 H ALA 4 H ALA 4 -5.742 9.235 -1.398
33 HA ALA 4 HA ALA 4 -6.833 7.537 0.655
34 1HB ALA 4 1HB ALA 4 -8.588 8.335 -1.665
35 2HB ALA 4 2HB ALA 4 -8.834 8.778 0.024
36 3HB ALA 4 3HB ALA 4 -8.960 7.091 -0.473
37 H CYS 5 H CYS 5 -6.736 5.343 0.116
38 HA CYS 5 HA CYS 5 -4.933 4.678 -2.008
39 1HB CYS 5 1HB CYS 5 -5.169 3.517 0.287
40 2HB CYS 5 2HB CYS 5 -6.520 2.661 -0.438
41 HG CYS 5 HG CYS 5 -3.909 1.606 -0.617
42 HA PRO 6 HA PRO 6 -7.974 3.861 -5.143
43 1HB PRO 6 1HB PRO 6 -6.408 2.568 -6.916
44 2HB PRO 6 2HB PRO 6 -6.264 4.306 -6.626
45 1HG PRO 6 1HG PRO 6 -4.588 2.064 -5.570
46 2HG PRO 6 2HG PRO 6 -4.081 3.648 -6.186
47 1HD PRO 6 1HD PRO 6 -4.297 3.059 -3.527
48 2HD PRO 6 2HD PRO 6 -4.499 4.694 -4.189
49 H GLU 7 H GLU 7 -6.258 1.393 -3.415
50 HA GLU 7 HA GLU 7 -7.946 -0.723 -4.543
51 1HB GLU 7 1HB GLU 7 -5.331 -0.828 -4.216
52 2HB GLU 7 2HB GLU 7 -5.765 -1.252 -2.566
53 1HG GLU 7 1HG GLU 7 -7.132 -2.733 -4.730
54 2HG GLU 7 2HG GLU 7 -5.415 -3.058 -4.493
55 H CYS 8 H CYS 8 -6.859 0.529 -1.375
56 HA CYS 8 HA CYS 8 -9.217 -0.739 -0.146
57 1HB CYS 8 1HB CYS 8 -8.036 -0.701 1.944
58 2HB CYS 8 2HB CYS 8 -6.977 -1.393 0.727
59 HG CYS 8 HG CYS 8 -6.619 1.549 1.661
60 HA PRO 9 HA PRO 9 -10.778 3.225 1.011
61 1HB PRO 9 1HB PRO 9 -12.202 2.661 3.196
62 2HB PRO 9 2HB PRO 9 -12.580 1.920 1.637
63 1HG PRO 9 1HG PRO 9 -11.218 0.749 4.008
64 2HG PRO 9 2HG PRO 9 -12.290 -0.025 2.830
65 1HD PRO 9 1HD PRO 9 -9.464 -0.097 2.851
66 2HD PRO 9 2HD PRO 9 -10.527 -0.648 1.545
67 H LYS 10 H LYS 10 -8.030 3.123 1.896
68 HA LYS 10 HA LYS 10 -8.083 4.168 4.615
69 1HB LYS 10 1HB LYS 10 -5.750 3.675 2.754
70 2HB LYS 10 2HB LYS 10 -5.616 4.270 4.386
71 1HG LYS 10 1HG LYS 10 -7.160 1.831 4.276
72 2HG LYS 10 2HG LYS 10 -5.546 1.633 3.591
73 1HD LYS 10 1HD LYS 10 -5.484 3.170 6.045
74 2HD LYS 10 2HD LYS 10 -6.231 1.589 6.285
75 1HE LYS 10 1HE LYS 10 -4.316 0.447 5.611
76 2HE LYS 10 2HE LYS 10 -3.655 1.854 4.780
77 1HZ LYS 10 1HZ LYS 10 -3.324 2.899 6.957
78 2HZ LYS 10 2HZ LYS 10 -2.460 1.452 6.816
79 3HZ LYS 10 3HZ LYS 10 -3.888 1.499 7.720
80 H ARG 11 H ARG 11 -6.998 6.209 5.106
81 HA ARG 11 HA ARG 11 -6.803 8.156 2.955
82 1HB ARG 11 1HB ARG 11 -8.289 9.761 4.261
83 2HB ARG 11 2HB ARG 11 -9.101 8.464 3.398
84 1HG ARG 11 1HG ARG 11 -8.399 7.862 6.189
85 2HG ARG 11 2HG ARG 11 -9.593 9.139 5.964
86 1HD ARG 11 1HD ARG 11 -11.147 7.587 5.656
87 2HD ARG 11 2HD ARG 11 -10.303 7.069 4.198
88 HE ARG 11 HE ARG 11 -9.631 5.205 5.315
89 1HH1 ARG 11 1HH1 ARG 11 -10.536 7.609 7.699
90 2HH1 ARG 11 2HH1 ARG 11 -10.320 6.535 9.038
91 1HH2 ARG 11 1HH2 ARG 11 -9.349 3.800 7.084
92 2HH2 ARG 11 2HH2 ARG 11 -9.647 4.373 8.691
93 H PHE 12 H PHE 12 -5.186 9.561 3.321
94 HA PHE 12 HA PHE 12 -4.289 9.988 6.087
95 1HB PHE 12 1HB PHE 12 -2.354 9.506 3.856
96 2HB PHE 12 2HB PHE 12 -2.009 9.568 5.569
97 HD1 PHE 12 HD1 PHE 12 -4.269 7.636 3.307
98 HD2 PHE 12 HD2 PHE 12 -1.475 7.539 6.513
99 HE1 PHE 12 HE1 PHE 12 -4.465 5.203 3.391
100 HE2 PHE 12 HE2 PHE 12 -1.673 5.085 6.604
101 HZ PHE 12 HZ PHE 12 -3.170 3.914 5.026
102 H MET 13 H MET 13 -3.110 11.906 6.460
103 HA MET 13 HA MET 13 -3.840 14.070 4.680
104 1HB MET 13 1HB MET 13 -2.445 14.000 7.357
105 2HB MET 13 2HB MET 13 -2.729 15.485 6.461
106 1HG MET 13 1HG MET 13 -5.206 14.687 6.465
107 2HG MET 13 2HG MET 13 -4.683 13.688 7.818
108 1HE MET 13 1HE MET 13 -3.772 14.421 9.911
109 2HE MET 13 2HE MET 13 -3.927 16.022 10.633
110 3HE MET 13 3HE MET 13 -2.598 15.679 9.527
111 H ARG 14 H ARG 14 -1.084 12.089 5.275
112 HA ARG 14 HA ARG 14 0.728 13.964 3.936
113 1HB ARG 14 1HB ARG 14 1.348 11.324 5.277
114 2HB ARG 14 2HB ARG 14 2.522 12.481 4.671
115 1HG ARG 14 1HG ARG 14 2.563 13.014 6.880
116 2HG ARG 14 2HG ARG 14 1.279 14.100 6.343
117 1HD ARG 14 1HD ARG 14 -0.110 13.150 7.792
118 2HD ARG 14 2HD ARG 14 0.072 11.616 6.936
119 HE ARG 14 HE ARG 14 2.181 12.187 8.820
120 1HH1 ARG 14 1HH1 ARG 14 -0.978 10.737 8.381
121 2HH1 ARG 14 2HH1 ARG 14 -0.822 9.689 9.749
122 1HH2 ARG 14 1HH2 ARG 14 2.381 10.803 10.620
123 2HH2 ARG 14 2HH2 ARG 14 1.085 9.726 11.022
124 H SER 15 H SER 15 2.106 13.176 2.203
125 HA SER 15 HA SER 15 0.643 11.365 0.441
126 1HB SER 15 1HB SER 15 1.107 13.007 -0.968
127 2HB SER 15 2HB SER 15 2.377 13.675 0.054
128 HG SER 15 HG SER 15 3.831 12.606 -1.057
129 H ASP 16 H ASP 16 3.952 11.828 1.684
130 HA ASP 16 HA ASP 16 4.994 9.464 0.512
131 1HB ASP 16 1HB ASP 16 6.143 11.621 1.640
132 2HB ASP 16 2HB ASP 16 6.265 10.486 2.979
133 H HIS 17 H HIS 17 3.913 10.205 3.830
134 HA HIS 17 HA HIS 17 4.416 7.656 4.909
135 1HB HIS 17 1HB HIS 17 2.627 9.932 5.687
136 2HB HIS 17 2HB HIS 17 2.487 8.390 6.521
137 HD1 HIS 17 HD1 HIS 17 3.258 10.064 8.558
138 HD2 HIS 17 HD2 HIS 17 6.134 9.020 5.747
139 HE1 HIS 17 HE1 HIS 17 5.466 10.574 9.636
140 HE2 HIS 17 HE2 HIS 17 7.195 9.849 7.956
141 H LEU 18 H LEU 18 1.533 9.013 3.342
142 HA LEU 18 HA LEU 18 -0.204 6.861 3.766
143 1HB LEU 18 1HB LEU 18 -0.866 9.072 2.914
144 2HB LEU 18 2HB LEU 18 -0.066 8.729 1.402
145 HG LEU 18 HG LEU 18 -2.271 6.969 2.404
146 1HD1 LEU 18 1HD1 LEU 18 -3.395 8.989 2.440
147 2HD1 LEU 18 2HD1 LEU 18 -3.685 8.415 0.799
148 3HD1 LEU 18 3HD1 LEU 18 -2.457 9.645 1.101
149 1HD2 LEU 18 1HD2 LEU 18 -1.616 5.875 0.579
150 2HD2 LEU 18 2HD2 LEU 18 -0.693 7.251 -0.030
151 3HD2 LEU 18 3HD2 LEU 18 -2.431 7.161 -0.314
152 H THR 19 H THR 19 2.022 7.555 1.077
153 HA THR 19 HA THR 19 1.396 5.306 -0.448
154 HB THR 19 HB THR 19 4.023 6.802 -0.289
155 HG1 THR 19 HG1 THR 19 1.765 7.129 -1.976
156 1HG2 THR 19 1HG2 THR 19 2.979 4.899 -2.364
157 2HG2 THR 19 2HG2 THR 19 4.483 4.795 -1.449
158 3HG2 THR 19 3HG2 THR 19 4.276 6.054 -2.666
159 H LEU 20 H LEU 20 3.518 5.730 2.319
160 HA LEU 20 HA LEU 20 5.002 3.359 2.139
161 1HB LEU 20 1HB LEU 20 5.364 5.277 3.743
162 2HB LEU 20 2HB LEU 20 4.034 4.647 4.693
163 HG LEU 20 HG LEU 20 5.795 2.482 4.302
164 1HD1 LEU 20 1HD1 LEU 20 7.263 4.967 5.177
165 2HD1 LEU 20 2HD1 LEU 20 7.515 4.101 3.660
166 3HD1 LEU 20 3HD1 LEU 20 7.893 3.319 5.196
167 1HD2 LEU 20 1HD2 LEU 20 6.049 2.623 6.724
168 2HD2 LEU 20 2HD2 LEU 20 4.369 2.873 6.247
169 3HD2 LEU 20 3HD2 LEU 20 5.369 4.251 6.709
170 H HIS 21 H HIS 21 1.783 4.034 3.411
171 HA HIS 21 HA HIS 21 1.241 1.567 4.614
172 1HB HIS 21 1HB HIS 21 -0.707 2.590 5.065
173 2HB HIS 21 2HB HIS 21 -0.129 3.978 4.184
174 HD1 HIS 21 HD1 HIS 21 -1.974 4.771 2.705
175 HD2 HIS 21 HD2 HIS 21 -1.742 0.644 2.790
176 HE1 HIS 21 HE1 HIS 21 -3.803 3.908 1.197
177 H ILE 22 H ILE 22 0.489 2.768 1.381
178 HA ILE 22 HA ILE 22 -0.854 0.579 0.392
179 HB ILE 22 HB ILE 22 0.927 2.324 -1.302
180 1HG1 ILE 22 1HG1 ILE 22 -1.951 2.941 -0.851
181 2HG1 ILE 22 2HG1 ILE 22 -0.834 3.377 0.424
182 1HG2 ILE 22 1HG2 ILE 22 -0.373 0.200 -2.153
183 2HG2 ILE 22 2HG2 ILE 22 -0.365 1.687 -3.098
184 3HG2 ILE 22 3HG2 ILE 22 -1.757 1.293 -2.086
185 1HD1 ILE 22 1HD1 ILE 22 -0.459 5.241 -0.675
186 2HD1 ILE 22 2HD1 ILE 22 -1.372 4.672 -2.069
187 3HD1 ILE 22 3HD1 ILE 22 0.343 4.289 -1.920
188 H LEU 23 H LEU 23 2.507 0.772 1.095
189 HA LEU 23 HA LEU 23 3.582 -1.058 -0.710
190 1HB LEU 23 1HB LEU 23 4.653 0.365 1.236
191 2HB LEU 23 2HB LEU 23 4.437 -1.126 2.124
192 HG LEU 23 HG LEU 23 5.649 -2.008 -0.174
193 1HD1 LEU 23 1HD1 LEU 23 6.062 0.266 -0.933
194 2HD1 LEU 23 2HD1 LEU 23 7.575 -0.544 -0.528
195 3HD1 LEU 23 3HD1 LEU 23 6.883 0.638 0.584
196 1HD2 LEU 23 1HD2 LEU 23 7.589 -2.356 1.216
197 2HD2 LEU 23 2HD2 LEU 23 6.132 -2.647 2.166
198 3HD2 LEU 23 3HD2 LEU 23 7.028 -1.140 2.364
199 H LEU 24 H LEU 24 1.466 -1.535 2.020
200 HA LEU 24 HA LEU 24 1.891 -4.212 2.638
201 1HB LEU 24 1HB LEU 24 -0.816 -2.879 2.526
202 2HB LEU 24 2HB LEU 24 -0.361 -4.259 3.503
203 HG LEU 24 HG LEU 24 1.165 -1.771 3.993
204 1HD1 LEU 24 1HD1 LEU 24 -1.270 -1.086 3.625
205 2HD1 LEU 24 2HD1 LEU 24 -0.526 -0.631 5.157
206 3HD1 LEU 24 3HD1 LEU 24 -1.624 -2.008 5.088
207 1HD2 LEU 24 1HD2 LEU 24 1.531 -3.833 5.270
208 2HD2 LEU 24 2HD2 LEU 24 -0.150 -3.791 5.806
209 3HD2 LEU 24 3HD2 LEU 24 0.964 -2.515 6.297
210 H HIS 25 H HIS 25 -0.275 -2.796 0.204
211 HA HIS 25 HA HIS 25 -1.371 -5.188 -0.762
212 1HB HIS 25 1HB HIS 25 -0.936 -2.665 -2.371
213 2HB HIS 25 2HB HIS 25 -2.155 -3.905 -2.644
214 HD1 HIS 25 HD1 HIS 25 -3.754 -4.169 -0.257
215 HD2 HIS 25 HD2 HIS 25 -2.009 -0.518 -1.198
216 HE1 HIS 25 HE1 HIS 25 -5.050 -2.410 1.017
217 H GLU 26 H GLU 26 1.523 -3.401 -1.775
218 HA GLU 26 HA GLU 26 2.096 -5.121 -3.989
219 1HB GLU 26 1HB GLU 26 3.745 -3.072 -2.506
220 2HB GLU 26 2HB GLU 26 4.373 -3.992 -3.866
221 1HG GLU 26 1HG GLU 26 3.687 -2.094 -4.924
222 2HG GLU 26 2HG GLU 26 2.237 -3.083 -5.075
223 H ASN 27 H ASN 27 3.808 -4.642 -0.891
224 HA ASN 27 HA ASN 27 4.212 -7.498 -0.618
225 1HB ASN 27 1HB ASN 27 6.173 -6.088 -1.936
226 2HB ASN 27 2HB ASN 27 6.752 -6.064 -0.273
227 1HD2 ASN 27 1HD2 ASN 27 6.450 -7.876 -3.113
228 2HD2 ASN 27 2HD2 ASN 27 7.038 -9.382 -2.502
229 H LYS 28 H LYS 28 3.454 -7.760 1.387
230 HA LYS 28 HA LYS 28 4.279 -5.838 3.465
231 1HB LYS 28 1HB LYS 28 2.278 -6.432 4.692
232 2HB LYS 28 2HB LYS 28 1.844 -5.946 3.061
233 1HG LYS 28 1HG LYS 28 1.485 -8.219 2.406
234 2HG LYS 28 2HG LYS 28 2.119 -8.809 3.943
235 1HD LYS 28 1HD LYS 28 -0.298 -7.024 3.738
236 2HD LYS 28 2HD LYS 28 -0.399 -8.785 3.720
237 1HE LYS 28 1HE LYS 28 0.868 -7.164 5.925
238 2HE LYS 28 2HE LYS 28 -0.784 -7.778 5.960
239 1HZ LYS 28 1HZ LYS 28 0.246 -10.045 5.630
240 2HZ LYS 28 2HZ LYS 28 0.506 -9.324 7.137
241 3HZ LYS 28 3HZ LYS 28 1.739 -9.329 5.981
242 H LYS 29 H LYS 29 4.807 -6.639 5.559
243 HA LYS 29 HA LYS 29 6.216 -9.173 5.458
244 1HB LYS 29 1HB LYS 29 7.125 -8.522 7.644
245 2HB LYS 29 2HB LYS 29 7.339 -7.251 6.450
246 1HG LYS 29 1HG LYS 29 6.510 -5.879 7.992
247 2HG LYS 29 2HG LYS 29 4.939 -6.589 7.614
248 1HD LYS 29 1HD LYS 29 5.034 -6.830 9.911
249 2HD LYS 29 2HD LYS 29 5.635 -8.394 9.356
250 1HE LYS 29 1HE LYS 29 7.873 -7.810 9.818
251 2HE LYS 29 2HE LYS 29 7.473 -6.102 9.991
252 1HZ LYS 29 1HZ LYS 29 7.853 -7.187 12.130
253 2HZ LYS 29 2HZ LYS 29 6.579 -8.258 11.829
254 3HZ LYS 29 3HZ LYS 29 6.269 -6.604 12.008
Start of MODEL 37
1 H TYR 1 H TYR 1 -7.908 16.593 2.763
2 HA TYR 1 HA TYR 1 -6.398 14.284 3.739
3 1HB TYR 1 1HB TYR 1 -8.489 13.394 4.671
4 2HB TYR 1 2HB TYR 1 -8.026 14.886 5.479
5 HD1 TYR 1 HD1 TYR 1 -10.617 13.167 3.715
6 HD2 TYR 1 HD2 TYR 1 -9.208 17.045 4.757
7 HE1 TYR 1 HE1 TYR 1 -12.847 14.094 3.261
8 HE2 TYR 1 HE2 TYR 1 -11.435 17.981 4.303
9 HH TYR 1 HH TYR 1 -13.595 16.836 2.567
10 H LYS 2 H LYS 2 -6.446 15.233 1.117
11 HA LYS 2 HA LYS 2 -8.520 13.766 -0.305
12 1HB LYS 2 1HB LYS 2 -7.330 16.114 -0.861
13 2HB LYS 2 2HB LYS 2 -6.294 15.042 -1.793
14 1HG LYS 2 1HG LYS 2 -7.840 14.749 -3.369
15 2HG LYS 2 2HG LYS 2 -9.122 14.489 -2.185
16 1HD LYS 2 1HD LYS 2 -9.798 16.432 -3.265
17 2HD LYS 2 2HD LYS 2 -8.988 17.046 -1.824
18 1HE LYS 2 1HE LYS 2 -6.886 17.119 -3.335
19 2HE LYS 2 2HE LYS 2 -8.039 17.025 -4.665
20 1HZ LYS 2 1HZ LYS 2 -9.121 19.016 -3.815
21 2HZ LYS 2 2HZ LYS 2 -7.488 19.313 -4.141
22 3HZ LYS 2 3HZ LYS 2 -8.006 19.106 -2.545
23 H PHE 3 H PHE 3 -5.945 12.648 1.199
24 HA PHE 3 HA PHE 3 -4.748 11.114 -0.943
25 1HB PHE 3 1HB PHE 3 -4.151 10.783 1.984
26 2HB PHE 3 2HB PHE 3 -3.112 10.505 0.613
27 HD1 PHE 3 HD1 PHE 3 -1.824 12.256 -0.374
28 HD2 PHE 3 HD2 PHE 3 -4.574 13.086 2.766
29 HE1 PHE 3 HE1 PHE 3 -0.835 14.492 -0.101
30 HE2 PHE 3 HE2 PHE 3 -3.590 15.323 3.043
31 HZ PHE 3 HZ PHE 3 -1.718 16.029 1.608
32 H ALA 4 H ALA 4 -5.564 9.213 -1.552
33 HA ALA 4 HA ALA 4 -6.709 7.418 0.444
34 1HB ALA 4 1HB ALA 4 -8.225 8.219 -2.037
35 2HB ALA 4 2HB ALA 4 -8.613 8.714 -0.390
36 3HB ALA 4 3HB ALA 4 -8.729 7.015 -0.851
37 H CYS 5 H CYS 5 -6.741 5.228 -0.161
38 HA CYS 5 HA CYS 5 -4.756 4.535 -2.150
39 1HB CYS 5 1HB CYS 5 -4.936 3.459 0.145
40 2HB CYS 5 2HB CYS 5 -6.372 2.638 -0.445
41 HG CYS 5 HG CYS 5 -3.669 2.165 -1.883
42 HA PRO 6 HA PRO 6 -7.709 3.684 -5.360
43 1HB PRO 6 1HB PRO 6 -6.150 2.135 -6.958
44 2HB PRO 6 2HB PRO 6 -5.973 3.891 -6.846
45 1HG PRO 6 1HG PRO 6 -4.388 1.737 -5.499
46 2HG PRO 6 2HG PRO 6 -3.819 3.227 -6.277
47 1HD PRO 6 1HD PRO 6 -4.074 2.996 -3.595
48 2HD PRO 6 2HD PRO 6 -4.337 4.531 -4.448
49 H GLU 7 H GLU 7 -6.248 1.233 -3.394
50 HA GLU 7 HA GLU 7 -8.074 -0.810 -4.444
51 1HB GLU 7 1HB GLU 7 -5.581 -1.265 -4.276
52 2HB GLU 7 2HB GLU 7 -5.784 -1.244 -2.530
53 1HG GLU 7 1HG GLU 7 -7.733 -2.982 -3.703
54 2HG GLU 7 2HG GLU 7 -6.124 -3.403 -4.289
55 H CYS 8 H CYS 8 -6.959 0.629 -1.372
56 HA CYS 8 HA CYS 8 -9.421 -0.393 -0.110
57 1HB CYS 8 1HB CYS 8 -8.238 -0.444 2.002
58 2HB CYS 8 2HB CYS 8 -7.336 -1.353 0.802
59 HG CYS 8 HG CYS 8 -5.542 0.033 1.867
60 HA PRO 9 HA PRO 9 -10.417 3.776 0.986
61 1HB PRO 9 1HB PRO 9 -12.101 3.392 3.005
62 2HB PRO 9 2HB PRO 9 -12.431 2.701 1.412
63 1HG PRO 9 1HG PRO 9 -11.436 1.370 3.885
64 2HG PRO 9 2HG PRO 9 -12.510 0.741 2.624
65 1HD PRO 9 1HD PRO 9 -9.722 0.297 2.856
66 2HD PRO 9 2HD PRO 9 -10.753 -0.121 1.476
67 H LYS 10 H LYS 10 -7.812 3.490 1.983
68 HA LYS 10 HA LYS 10 -7.934 4.316 4.783
69 1HB LYS 10 1HB LYS 10 -5.424 3.948 3.156
70 2HB LYS 10 2HB LYS 10 -5.586 3.986 4.885
71 1HG LYS 10 1HG LYS 10 -7.135 1.866 3.606
72 2HG LYS 10 2HG LYS 10 -5.387 1.732 3.406
73 1HD LYS 10 1HD LYS 10 -5.807 0.564 5.380
74 2HD LYS 10 2HD LYS 10 -5.270 2.148 5.940
75 1HE LYS 10 1HE LYS 10 -7.860 2.663 5.855
76 2HE LYS 10 2HE LYS 10 -7.978 0.912 6.022
77 1HZ LYS 10 1HZ LYS 10 -6.661 1.037 8.032
78 2HZ LYS 10 2HZ LYS 10 -8.015 2.040 8.167
79 3HZ LYS 10 3HZ LYS 10 -6.494 2.714 7.861
80 H ARG 11 H ARG 11 -7.106 6.261 5.523
81 HA ARG 11 HA ARG 11 -6.517 8.327 3.519
82 1HB ARG 11 1HB ARG 11 -8.300 8.714 5.922
83 2HB ARG 11 2HB ARG 11 -7.868 9.936 4.745
84 1HG ARG 11 1HG ARG 11 -9.920 9.372 3.956
85 2HG ARG 11 2HG ARG 11 -8.941 8.207 3.065
86 1HD ARG 11 1HD ARG 11 -9.592 6.437 4.411
87 2HD ARG 11 2HD ARG 11 -10.045 7.489 5.749
88 HE ARG 11 HE ARG 11 -12.134 7.685 4.844
89 1HH1 ARG 11 1HH1 ARG 11 -9.988 6.414 2.383
90 2HH1 ARG 11 2HH1 ARG 11 -11.268 6.088 1.265
91 1HH2 ARG 11 1HH2 ARG 11 -13.811 7.255 3.366
92 2HH2 ARG 11 2HH2 ARG 11 -13.439 6.565 1.822
93 H PHE 12 H PHE 12 -4.887 9.699 4.046
94 HA PHE 12 HA PHE 12 -3.820 9.608 6.782
95 1HB PHE 12 1HB PHE 12 -2.151 9.354 4.302
96 2HB PHE 12 2HB PHE 12 -1.542 9.373 5.940
97 HD1 PHE 12 HD1 PHE 12 -4.136 7.510 4.019
98 HD2 PHE 12 HD2 PHE 12 -0.874 7.307 6.736
99 HE1 PHE 12 HE1 PHE 12 -4.353 5.082 4.077
100 HE2 PHE 12 HE2 PHE 12 -1.091 4.852 6.800
101 HZ PHE 12 HZ PHE 12 -2.842 3.740 5.454
102 H MET 13 H MET 13 -2.595 11.431 7.428
103 HA MET 13 HA MET 13 -3.478 13.891 6.295
104 1HB MET 13 1HB MET 13 -1.466 13.226 8.440
105 2HB MET 13 2HB MET 13 -1.796 14.879 7.943
106 1HG MET 13 1HG MET 13 -4.246 14.341 8.454
107 2HG MET 13 2HG MET 13 -3.616 12.933 9.307
108 1HE MET 13 1HE MET 13 -3.625 17.266 10.629
109 2HE MET 13 2HE MET 13 -4.446 16.513 9.262
110 3HE MET 13 3HE MET 13 -2.739 16.938 9.141
111 H ARG 14 H ARG 14 -0.496 12.021 6.098
112 HA ARG 14 HA ARG 14 0.723 14.074 4.397
113 1HB ARG 14 1HB ARG 14 1.831 11.660 5.818
114 2HB ARG 14 2HB ARG 14 2.754 12.527 4.602
115 1HG ARG 14 1HG ARG 14 3.503 13.757 6.300
116 2HG ARG 14 2HG ARG 14 1.926 14.548 6.249
117 1HD ARG 14 1HD ARG 14 1.667 13.899 8.367
118 2HD ARG 14 2HD ARG 14 1.466 12.262 7.736
119 HE ARG 14 HE ARG 14 3.618 11.747 8.421
120 1HH1 ARG 14 1HH1 ARG 14 2.987 15.154 8.933
121 2HH1 ARG 14 2HH1 ARG 14 4.375 15.383 9.941
122 1HH2 ARG 14 1HH2 ARG 14 5.445 12.057 9.746
123 2HH2 ARG 14 2HH2 ARG 14 5.771 13.627 10.401
124 H SER 15 H SER 15 1.840 13.379 2.432
125 HA SER 15 HA SER 15 0.190 11.530 0.915
126 1HB SER 15 1HB SER 15 0.521 13.046 -0.651
127 2HB SER 15 2HB SER 15 1.745 13.870 0.310
128 HG SER 15 HG SER 15 3.257 12.944 -0.841
129 H ASP 16 H ASP 16 3.625 11.952 1.740
130 HA ASP 16 HA ASP 16 4.549 9.627 0.434
131 1HB ASP 16 1HB ASP 16 5.736 11.742 1.751
132 2HB ASP 16 2HB ASP 16 6.076 10.379 2.811
133 H HIS 17 H HIS 17 3.564 10.227 3.794
134 HA HIS 17 HA HIS 17 4.184 7.695 4.828
135 1HB HIS 17 1HB HIS 17 2.495 9.974 5.657
136 2HB HIS 17 2HB HIS 17 2.051 8.415 6.335
137 HD1 HIS 17 HD1 HIS 17 2.783 9.240 8.679
138 HD2 HIS 17 HD2 HIS 17 5.836 9.142 5.865
139 HE1 HIS 17 HE1 HIS 17 4.906 9.506 9.983
140 HE2 HIS 17 HE2 HIS 17 6.750 9.316 8.279
141 H LEU 18 H LEU 18 1.146 8.932 3.426
142 HA LEU 18 HA LEU 18 -0.407 6.636 3.781
143 1HB LEU 18 1HB LEU 18 -1.202 8.886 3.019
144 2HB LEU 18 2HB LEU 18 -0.548 8.532 1.443
145 HG LEU 18 HG LEU 18 -2.509 6.628 2.634
146 1HD1 LEU 18 1HD1 LEU 18 -3.639 8.773 0.979
147 2HD1 LEU 18 2HD1 LEU 18 -3.182 9.234 2.619
148 3HD1 LEU 18 3HD1 LEU 18 -4.328 7.917 2.357
149 1HD2 LEU 18 1HD2 LEU 18 -2.186 5.721 0.646
150 2HD2 LEU 18 2HD2 LEU 18 -1.272 7.122 0.083
151 3HD2 LEU 18 3HD2 LEU 18 -3.031 7.109 -0.044
152 H THR 19 H THR 19 1.706 7.602 1.101
153 HA THR 19 HA THR 19 1.182 5.411 -0.550
154 HB THR 19 HB THR 19 3.748 7.006 -0.351
155 HG1 THR 19 HG1 THR 19 2.450 8.538 -0.974
156 1HG2 THR 19 1HG2 THR 19 2.644 5.293 -2.555
157 2HG2 THR 19 2HG2 THR 19 4.191 5.132 -1.723
158 3HG2 THR 19 3HG2 THR 19 3.905 6.501 -2.797
159 H LEU 20 H LEU 20 3.376 5.833 2.171
160 HA LEU 20 HA LEU 20 4.949 3.524 1.821
161 1HB LEU 20 1HB LEU 20 5.320 5.450 3.445
162 2HB LEU 20 2HB LEU 20 4.127 4.688 4.479
163 HG LEU 20 HG LEU 20 6.346 2.944 3.609
164 1HD1 LEU 20 1HD1 LEU 20 6.844 5.059 5.691
165 2HD1 LEU 20 2HD1 LEU 20 7.430 5.169 4.032
166 3HD1 LEU 20 3HD1 LEU 20 7.976 3.857 5.075
167 1HD2 LEU 20 1HD2 LEU 20 4.873 3.471 6.181
168 2HD2 LEU 20 2HD2 LEU 20 6.222 2.343 6.042
169 3HD2 LEU 20 3HD2 LEU 20 4.742 2.063 5.125
170 H HIS 21 H HIS 21 1.790 4.065 3.254
171 HA HIS 21 HA HIS 21 1.409 1.576 4.489
172 1HB HIS 21 1HB HIS 21 -0.514 2.568 5.090
173 2HB HIS 21 2HB HIS 21 -0.037 3.960 4.160
174 HD1 HIS 21 HD1 HIS 21 -2.079 4.706 2.922
175 HD2 HIS 21 HD2 HIS 21 -1.637 0.593 2.839
176 HE1 HIS 21 HE1 HIS 21 -3.993 3.794 1.550
177 H ILE 22 H ILE 22 0.436 2.777 1.325
178 HA ILE 22 HA ILE 22 -0.941 0.570 0.423
179 HB ILE 22 HB ILE 22 0.662 2.346 -1.409
180 1HG1 ILE 22 1HG1 ILE 22 -2.160 2.972 -0.713
181 2HG1 ILE 22 2HG1 ILE 22 -0.955 3.378 0.486
182 1HG2 ILE 22 1HG2 ILE 22 -2.039 1.078 -1.802
183 2HG2 ILE 22 2HG2 ILE 22 -0.532 0.315 -2.316
184 3HG2 ILE 22 3HG2 ILE 22 -1.024 1.856 -3.017
185 1HD1 ILE 22 1HD1 ILE 22 -0.731 5.279 -0.604
186 2HD1 ILE 22 2HD1 ILE 22 -1.626 4.676 -1.998
187 3HD1 ILE 22 3HD1 ILE 22 0.102 4.355 -1.854
188 H LEU 23 H LEU 23 2.440 0.741 0.938
189 HA LEU 23 HA LEU 23 3.362 -1.053 -1.023
190 1HB LEU 23 1HB LEU 23 4.333 -0.124 1.625
191 2HB LEU 23 2HB LEU 23 5.023 -1.612 1.008
192 HG LEU 23 HG LEU 23 5.084 0.294 -1.101
193 1HD1 LEU 23 1HD1 LEU 23 6.078 1.337 1.540
194 2HD1 LEU 23 2HD1 LEU 23 4.919 2.089 0.445
195 3HD1 LEU 23 3HD1 LEU 23 6.615 1.958 -0.020
196 1HD2 LEU 23 1HD2 LEU 23 7.274 -0.853 0.629
197 2HD2 LEU 23 2HD2 LEU 23 7.497 -0.073 -0.937
198 3HD2 LEU 23 3HD2 LEU 23 6.606 -1.590 -0.828
199 H LEU 24 H LEU 24 1.481 -1.537 1.864
200 HA LEU 24 HA LEU 24 2.000 -4.195 2.502
201 1HB LEU 24 1HB LEU 24 -0.723 -2.886 2.527
202 2HB LEU 24 2HB LEU 24 -0.223 -4.275 3.470
203 HG LEU 24 HG LEU 24 1.324 -1.783 3.896
204 1HD1 LEU 24 1HD1 LEU 24 -0.305 -0.673 5.173
205 2HD1 LEU 24 2HD1 LEU 24 -1.393 -2.060 5.153
206 3HD1 LEU 24 3HD1 LEU 24 -1.135 -1.121 3.682
207 1HD2 LEU 24 1HD2 LEU 24 0.139 -3.845 5.752
208 2HD2 LEU 24 2HD2 LEU 24 1.252 -2.555 6.205
209 3HD2 LEU 24 3HD2 LEU 24 1.789 -3.847 5.131
210 H HIS 25 H HIS 25 -0.352 -2.879 0.181
211 HA HIS 25 HA HIS 25 -1.423 -5.319 -0.691
212 1HB HIS 25 1HB HIS 25 -1.139 -2.861 -2.422
213 2HB HIS 25 2HB HIS 25 -2.378 -4.108 -2.512
214 HD1 HIS 25 HD1 HIS 25 -4.023 -4.160 -0.282
215 HD2 HIS 25 HD2 HIS 25 -1.839 -0.701 -0.998
216 HE1 HIS 25 HE1 HIS 25 -5.129 -2.327 1.068
217 H GLU 26 H GLU 26 1.485 -3.593 -1.649
218 HA GLU 26 HA GLU 26 1.990 -5.435 -3.848
219 1HB GLU 26 1HB GLU 26 3.525 -3.045 -2.814
220 2HB GLU 26 2HB GLU 26 4.054 -4.036 -4.167
221 1HG GLU 26 1HG GLU 26 1.449 -2.532 -4.064
222 2HG GLU 26 2HG GLU 26 2.920 -1.946 -4.839
223 H ASN 27 H ASN 27 1.877 -6.928 -1.652
224 HA ASN 27 HA ASN 27 4.668 -7.707 -1.223
225 1HB ASN 27 1HB ASN 27 3.475 -6.341 0.728
226 2HB ASN 27 2HB ASN 27 2.813 -7.928 1.106
227 1HD2 ASN 27 1HD2 ASN 27 5.400 -5.850 1.524
228 2HD2 ASN 27 2HD2 ASN 27 6.535 -6.978 2.177
229 H LYS 28 H LYS 28 3.310 -8.992 -3.059
230 HA LYS 28 HA LYS 28 1.922 -11.278 -1.895
231 1HB LYS 28 1HB LYS 28 2.307 -10.264 -4.697
232 2HB LYS 28 2HB LYS 28 1.749 -11.906 -4.410
233 1HG LYS 28 1HG LYS 28 -0.039 -10.772 -2.915
234 2HG LYS 28 2HG LYS 28 0.384 -9.316 -3.817
235 1HD LYS 28 1HD LYS 28 -0.187 -11.820 -5.330
236 2HD LYS 28 2HD LYS 28 -1.539 -10.924 -4.635
237 1HE LYS 28 1HE LYS 28 -0.530 -8.869 -5.770
238 2HE LYS 28 2HE LYS 28 0.463 -10.008 -6.679
239 1HZ LYS 28 1HZ LYS 28 -2.508 -9.941 -6.631
240 2HZ LYS 28 2HZ LYS 28 -1.570 -11.063 -7.481
241 3HZ LYS 28 3HZ LYS 28 -1.521 -9.428 -7.907
242 H LYS 29 H LYS 29 2.466 -13.472 -2.885
243 HA LYS 29 HA LYS 29 5.145 -14.120 -2.219
244 1HB LYS 29 1HB LYS 29 2.756 -15.526 -2.557
245 2HB LYS 29 2HB LYS 29 3.820 -16.164 -3.801
246 1HG LYS 29 1HG LYS 29 4.654 -15.937 -0.925
247 2HG LYS 29 2HG LYS 29 3.827 -17.356 -1.573
248 1HD LYS 29 1HD LYS 29 5.712 -17.273 -3.381
249 2HD LYS 29 2HD LYS 29 6.566 -16.315 -2.169
250 1HE LYS 29 1HE LYS 29 5.351 -18.999 -1.562
251 2HE LYS 29 2HE LYS 29 6.999 -18.816 -2.157
252 1HZ LYS 29 1HZ LYS 29 7.021 -18.952 0.221
253 2HZ LYS 29 2HZ LYS 29 5.892 -17.701 0.363
254 3HZ LYS 29 3HZ LYS 29 7.445 -17.376 -0.223
Start of MODEL 38
1 H TYR 1 H TYR 1 -9.677 14.242 5.952
2 HA TYR 1 HA TYR 1 -8.062 13.174 4.718
3 1HB TYR 1 1HB TYR 1 -10.658 12.901 3.184
4 2HB TYR 1 2HB TYR 1 -9.400 11.683 3.356
5 HD1 TYR 1 HD1 TYR 1 -12.571 12.249 4.289
6 HD2 TYR 1 HD2 TYR 1 -8.805 11.527 6.132
7 HE1 TYR 1 HE1 TYR 1 -13.718 11.360 6.273
8 HE2 TYR 1 HE2 TYR 1 -9.942 10.635 8.121
9 HH TYR 1 HH TYR 1 -12.681 11.155 9.062
10 H LYS 2 H LYS 2 -6.492 13.581 3.317
11 HA LYS 2 HA LYS 2 -6.992 15.397 1.084
12 1HB LYS 2 1HB LYS 2 -4.580 14.535 2.604
13 2HB LYS 2 2HB LYS 2 -4.359 15.036 0.933
14 1HG LYS 2 1HG LYS 2 -5.702 17.129 1.625
15 2HG LYS 2 2HG LYS 2 -5.311 16.636 3.273
16 1HD LYS 2 1HD LYS 2 -3.446 17.851 2.955
17 2HD LYS 2 2HD LYS 2 -2.881 16.434 2.068
18 1HE LYS 2 1HE LYS 2 -4.449 18.583 0.688
19 2HE LYS 2 2HE LYS 2 -2.716 18.767 0.956
20 1HZ LYS 2 1HZ LYS 2 -3.034 17.826 -1.185
21 2HZ LYS 2 2HZ LYS 2 -4.075 16.633 -0.594
22 3HZ LYS 2 3HZ LYS 2 -2.433 16.593 -0.194
23 H PHE 3 H PHE 3 -5.352 12.260 1.623
24 HA PHE 3 HA PHE 3 -5.696 11.678 -1.236
25 1HB PHE 3 1HB PHE 3 -3.640 11.019 0.770
26 2HB PHE 3 2HB PHE 3 -4.081 9.704 -0.301
27 HD1 PHE 3 HD1 PHE 3 -3.612 9.814 -2.674
28 HD2 PHE 3 HD2 PHE 3 -2.534 12.998 -0.063
29 HE1 PHE 3 HE1 PHE 3 -2.140 10.739 -4.415
30 HE2 PHE 3 HE2 PHE 3 -1.062 13.930 -1.801
31 HZ PHE 3 HZ PHE 3 -0.863 12.800 -3.980
32 H ALA 4 H ALA 4 -5.932 9.278 -1.710
33 HA ALA 4 HA ALA 4 -7.433 7.736 0.231
34 1HB ALA 4 1HB ALA 4 -8.739 8.486 -2.384
35 2HB ALA 4 2HB ALA 4 -9.138 9.207 -0.825
36 3HB ALA 4 3HB ALA 4 -9.423 7.489 -1.099
37 H CYS 5 H CYS 5 -6.803 5.671 0.037
38 HA CYS 5 HA CYS 5 -5.051 4.824 -2.004
39 1HB CYS 5 1HB CYS 5 -5.299 3.885 0.375
40 2HB CYS 5 2HB CYS 5 -6.622 2.930 -0.274
41 HG CYS 5 HG CYS 5 -3.800 2.630 -1.519
42 HA PRO 6 HA PRO 6 -7.991 3.633 -5.119
43 1HB PRO 6 1HB PRO 6 -6.294 2.412 -6.813
44 2HB PRO 6 2HB PRO 6 -6.290 4.164 -6.590
45 1HG PRO 6 1HG PRO 6 -4.467 2.103 -5.413
46 2HG PRO 6 2HG PRO 6 -4.067 3.689 -6.097
47 1HD PRO 6 1HD PRO 6 -4.289 3.212 -3.417
48 2HD PRO 6 2HD PRO 6 -4.597 4.795 -4.161
49 H GLU 7 H GLU 7 -6.037 1.400 -3.298
50 HA GLU 7 HA GLU 7 -7.505 -0.910 -4.330
51 1HB GLU 7 1HB GLU 7 -4.860 -0.605 -3.692
52 2HB GLU 7 2HB GLU 7 -5.491 -1.372 -2.241
53 1HG GLU 7 1HG GLU 7 -6.531 -2.719 -4.530
54 2HG GLU 7 2HG GLU 7 -4.783 -2.570 -4.691
55 H CYS 8 H CYS 8 -6.844 0.779 -1.258
56 HA CYS 8 HA CYS 8 -9.139 -0.668 -0.094
57 1HB CYS 8 1HB CYS 8 -8.062 -0.716 2.031
58 2HB CYS 8 2HB CYS 8 -6.905 -1.311 0.855
59 HG CYS 8 HG CYS 8 -6.545 1.644 1.491
60 HA PRO 9 HA PRO 9 -10.742 3.279 1.069
61 1HB PRO 9 1HB PRO 9 -12.228 2.689 3.206
62 2HB PRO 9 2HB PRO 9 -12.560 1.958 1.632
63 1HG PRO 9 1HG PRO 9 -11.251 0.778 4.032
64 2HG PRO 9 2HG PRO 9 -12.295 0.007 2.826
65 1HD PRO 9 1HD PRO 9 -9.474 -0.061 2.908
66 2HD PRO 9 2HD PRO 9 -10.501 -0.600 1.571
67 H LYS 10 H LYS 10 -8.033 3.212 1.982
68 HA LYS 10 HA LYS 10 -8.143 4.214 4.722
69 1HB LYS 10 1HB LYS 10 -5.759 3.666 2.940
70 2HB LYS 10 2HB LYS 10 -5.667 4.251 4.575
71 1HG LYS 10 1HG LYS 10 -7.196 1.762 4.153
72 2HG LYS 10 2HG LYS 10 -5.443 1.682 3.962
73 1HD LYS 10 1HD LYS 10 -5.737 3.139 6.275
74 2HD LYS 10 2HD LYS 10 -7.058 1.972 6.378
75 1HE LYS 10 1HE LYS 10 -5.662 0.237 6.688
76 2HE LYS 10 2HE LYS 10 -4.499 0.835 5.507
77 1HZ LYS 10 1HZ LYS 10 -3.655 2.377 7.152
78 2HZ LYS 10 2HZ LYS 10 -3.582 0.796 7.749
79 3HZ LYS 10 3HZ LYS 10 -4.795 1.846 8.285
80 H ARG 11 H ARG 11 -7.045 6.215 5.265
81 HA ARG 11 HA ARG 11 -6.781 8.189 3.131
82 1HB ARG 11 1HB ARG 11 -8.172 9.807 4.569
83 2HB ARG 11 2HB ARG 11 -9.036 8.612 3.613
84 1HG ARG 11 1HG ARG 11 -8.720 7.280 5.961
85 2HG ARG 11 2HG ARG 11 -8.871 8.946 6.519
86 1HD ARG 11 1HD ARG 11 -11.062 8.057 6.469
87 2HD ARG 11 2HD ARG 11 -10.926 9.126 5.075
88 HE ARG 11 HE ARG 11 -10.271 6.509 4.288
89 1HH1 ARG 11 1HH1 ARG 11 -13.049 8.380 5.308
90 2HH1 ARG 11 2HH1 ARG 11 -14.179 7.414 4.421
91 1HH2 ARG 11 1HH2 ARG 11 -11.765 5.242 3.119
92 2HH2 ARG 11 2HH2 ARG 11 -13.450 5.632 3.179
93 H PHE 12 H PHE 12 -5.110 9.534 3.491
94 HA PHE 12 HA PHE 12 -4.115 9.819 6.245
95 1HB PHE 12 1HB PHE 12 -2.331 9.394 3.876
96 2HB PHE 12 2HB PHE 12 -1.844 9.464 5.555
97 HD1 PHE 12 HD1 PHE 12 -4.261 7.536 3.465
98 HD2 PHE 12 HD2 PHE 12 -1.285 7.441 6.502
99 HE1 PHE 12 HE1 PHE 12 -4.474 5.107 3.582
100 HE2 PHE 12 HE2 PHE 12 -1.502 4.990 6.630
101 HZ PHE 12 HZ PHE 12 -3.100 3.821 5.153
102 H MET 13 H MET 13 -2.940 11.707 6.703
103 HA MET 13 HA MET 13 -3.743 13.992 5.136
104 1HB MET 13 1HB MET 13 -2.144 13.709 7.680
105 2HB MET 13 2HB MET 13 -2.467 15.261 6.919
106 1HG MET 13 1HG MET 13 -4.725 15.178 7.399
107 2HG MET 13 2HG MET 13 -4.723 13.427 7.593
108 1HE MET 13 1HE MET 13 -2.476 12.849 10.314
109 2HE MET 13 2HE MET 13 -3.698 12.195 9.224
110 3HE MET 13 3HE MET 13 -4.116 12.566 10.897
111 H ARG 14 H ARG 14 -0.869 12.055 5.534
112 HA ARG 14 HA ARG 14 0.751 13.996 4.046
113 1HB ARG 14 1HB ARG 14 1.488 11.475 5.532
114 2HB ARG 14 2HB ARG 14 2.635 12.405 4.584
115 1HG ARG 14 1HG ARG 14 1.164 13.300 7.053
116 2HG ARG 14 2HG ARG 14 2.887 12.952 6.902
117 1HD ARG 14 1HD ARG 14 2.945 15.225 6.716
118 2HD ARG 14 2HD ARG 14 2.726 14.800 5.015
119 HE ARG 14 HE ARG 14 0.198 15.068 6.112
120 1HH1 ARG 14 1HH1 ARG 14 2.982 17.111 5.545
121 2HH1 ARG 14 2HH1 ARG 14 2.043 18.555 5.374
122 1HH2 ARG 14 1HH2 ARG 14 -1.037 16.972 5.884
123 2HH2 ARG 14 2HH2 ARG 14 -0.240 18.477 5.567
124 H SER 15 H SER 15 2.018 13.279 2.225
125 HA SER 15 HA SER 15 0.534 11.412 0.558
126 1HB SER 15 1HB SER 15 0.932 13.105 -0.829
127 2HB SER 15 2HB SER 15 2.320 13.690 0.083
128 HG SER 15 HG SER 15 2.199 11.918 -2.050
129 H ASP 16 H ASP 16 3.853 11.879 1.753
130 HA ASP 16 HA ASP 16 4.867 9.508 0.542
131 1HB ASP 16 1HB ASP 16 6.894 9.923 1.778
132 2HB ASP 16 2HB ASP 16 6.287 11.456 1.172
133 H HIS 17 H HIS 17 3.607 10.271 3.762
134 HA HIS 17 HA HIS 17 4.266 7.790 4.963
135 1HB HIS 17 1HB HIS 17 2.127 9.816 5.635
136 2HB HIS 17 2HB HIS 17 2.491 8.409 6.623
137 HD1 HIS 17 HD1 HIS 17 2.878 10.643 8.289
138 HD2 HIS 17 HD2 HIS 17 5.798 9.715 5.481
139 HE1 HIS 17 HE1 HIS 17 4.964 11.800 9.081
140 HE2 HIS 17 HE2 HIS 17 6.742 11.140 7.423
141 H LEU 18 H LEU 18 1.359 8.981 3.315
142 HA LEU 18 HA LEU 18 -0.296 6.767 3.729
143 1HB LEU 18 1HB LEU 18 -0.945 8.989 2.786
144 2HB LEU 18 2HB LEU 18 -0.199 8.520 1.280
145 HG LEU 18 HG LEU 18 -2.344 6.810 2.458
146 1HD1 LEU 18 1HD1 LEU 18 -3.483 8.828 2.526
147 2HD1 LEU 18 2HD1 LEU 18 -3.889 8.193 0.933
148 3HD1 LEU 18 3HD1 LEU 18 -2.659 9.448 1.099
149 1HD2 LEU 18 1HD2 LEU 18 -1.795 5.688 0.618
150 2HD2 LEU 18 2HD2 LEU 18 -0.913 7.058 -0.063
151 3HD2 LEU 18 3HD2 LEU 18 -2.664 6.956 -0.253
152 H THR 19 H THR 19 1.961 7.501 1.081
153 HA THR 19 HA THR 19 1.462 5.208 -0.425
154 HB THR 19 HB THR 19 4.048 6.773 -0.231
155 HG1 THR 19 HG1 THR 19 1.765 7.117 -1.876
156 1HG2 THR 19 1HG2 THR 19 4.523 4.791 -1.431
157 2HG2 THR 19 2HG2 THR 19 4.313 6.077 -2.619
158 3HG2 THR 19 3HG2 THR 19 3.022 4.906 -2.348
159 H LEU 20 H LEU 20 3.497 5.749 2.390
160 HA LEU 20 HA LEU 20 5.093 3.447 2.283
161 1HB LEU 20 1HB LEU 20 5.375 5.332 3.888
162 2HB LEU 20 2HB LEU 20 3.943 4.790 4.739
163 HG LEU 20 HG LEU 20 6.155 4.168 5.776
164 1HD1 LEU 20 1HD1 LEU 20 3.792 2.920 5.874
165 2HD1 LEU 20 2HD1 LEU 20 5.214 2.371 6.762
166 3HD1 LEU 20 3HD1 LEU 20 4.785 1.612 5.230
167 1HD2 LEU 20 1HD2 LEU 20 7.585 2.653 4.829
168 2HD2 LEU 20 2HD2 LEU 20 7.019 3.496 3.387
169 3HD2 LEU 20 3HD2 LEU 20 6.331 1.931 3.821
170 H HIS 21 H HIS 21 1.844 3.997 3.544
171 HA HIS 21 HA HIS 21 1.346 1.503 4.685
172 1HB HIS 21 1HB HIS 21 -0.606 2.513 5.151
173 2HB HIS 21 2HB HIS 21 -0.086 3.892 4.222
174 HD1 HIS 21 HD1 HIS 21 -2.046 4.586 2.830
175 HD2 HIS 21 HD2 HIS 21 -1.560 0.480 2.877
176 HE1 HIS 21 HE1 HIS 21 -3.884 3.620 1.387
177 H ILE 22 H ILE 22 0.554 2.687 1.459
178 HA ILE 22 HA ILE 22 -0.719 0.449 0.489
179 HB ILE 22 HB ILE 22 0.958 2.240 -1.259
180 1HG1 ILE 22 1HG1 ILE 22 -1.907 2.824 -0.734
181 2HG1 ILE 22 2HG1 ILE 22 -0.782 3.257 0.530
182 1HG2 ILE 22 1HG2 ILE 22 -0.475 0.065 -1.957
183 2HG2 ILE 22 2HG2 ILE 22 -0.266 1.467 -3.004
184 3HG2 ILE 22 3HG2 ILE 22 -1.731 1.300 -2.032
185 1HD1 ILE 22 1HD1 ILE 22 -1.378 4.594 -1.913
186 2HD1 ILE 22 2HD1 ILE 22 0.338 4.194 -1.846
187 3HD1 ILE 22 3HD1 ILE 22 -0.402 5.129 -0.548
188 H LEU 23 H LEU 23 2.597 0.615 1.264
189 HA LEU 23 HA LEU 23 3.734 -1.076 -0.648
190 1HB LEU 23 1HB LEU 23 4.367 -0.294 2.129
191 2HB LEU 23 2HB LEU 23 5.057 -1.816 1.602
192 HG LEU 23 HG LEU 23 5.399 0.538 -0.186
193 1HD1 LEU 23 1HD1 LEU 23 7.486 1.108 1.118
194 2HD1 LEU 23 2HD1 LEU 23 6.798 0.177 2.450
195 3HD1 LEU 23 3HD1 LEU 23 5.956 1.603 1.843
196 1HD2 LEU 23 1HD2 LEU 23 6.200 -1.726 -0.777
197 2HD2 LEU 23 2HD2 LEU 23 7.255 -1.691 0.636
198 3HD2 LEU 23 3HD2 LEU 23 7.500 -0.538 -0.676
199 H LEU 24 H LEU 24 1.674 -1.766 2.134
200 HA LEU 24 HA LEU 24 2.080 -4.532 2.340
201 1HB LEU 24 1HB LEU 24 -0.313 -4.582 3.209
202 2HB LEU 24 2HB LEU 24 0.841 -3.591 4.076
203 HG LEU 24 HG LEU 24 -0.243 -1.779 2.333
204 1HD1 LEU 24 1HD1 LEU 24 -2.547 -3.450 3.292
205 2HD1 LEU 24 2HD1 LEU 24 -1.907 -3.526 1.650
206 3HD1 LEU 24 3HD1 LEU 24 -2.594 -2.018 2.260
207 1HD2 LEU 24 1HD2 LEU 24 -1.398 -2.386 5.039
208 2HD2 LEU 24 2HD2 LEU 24 -1.234 -0.819 4.248
209 3HD2 LEU 24 3HD2 LEU 24 0.200 -1.673 4.819
210 H HIS 25 H HIS 25 -0.040 -2.690 0.191
211 HA HIS 25 HA HIS 25 -1.484 -4.848 -0.884
212 1HB HIS 25 1HB HIS 25 -0.792 -2.154 -2.067
213 2HB HIS 25 2HB HIS 25 -1.916 -3.290 -2.807
214 HD1 HIS 25 HD1 HIS 25 -3.707 -4.127 -0.568
215 HD2 HIS 25 HD2 HIS 25 -2.271 -0.248 -0.929
216 HE1 HIS 25 HE1 HIS 25 -5.297 -2.658 0.737
217 H GLU 26 H GLU 26 1.628 -3.437 -1.789
218 HA GLU 26 HA GLU 26 2.039 -4.626 -4.256
219 1HB GLU 26 1HB GLU 26 3.529 -2.940 -3.153
220 2HB GLU 26 2HB GLU 26 4.152 -4.227 -2.130
221 1HG GLU 26 1HG GLU 26 5.663 -3.780 -3.963
222 2HG GLU 26 2HG GLU 26 4.984 -5.400 -4.100
223 H ASN 27 H ASN 27 2.626 -5.963 -1.024
224 HA ASN 27 HA ASN 27 3.299 -8.559 -2.219
225 1HB ASN 27 1HB ASN 27 4.122 -9.172 0.013
226 2HB ASN 27 2HB ASN 27 4.881 -7.689 -0.554
227 1HD2 ASN 27 1HD2 ASN 27 4.676 -5.867 0.624
228 2HD2 ASN 27 2HD2 ASN 27 3.762 -5.747 2.084
229 H LYS 28 H LYS 28 2.523 -10.446 -0.648
230 HA LYS 28 HA LYS 28 -0.336 -10.010 -0.078
231 1HB LYS 28 1HB LYS 28 1.007 -12.242 -1.570
232 2HB LYS 28 2HB LYS 28 -0.507 -12.534 -0.723
233 1HG LYS 28 1HG LYS 28 -1.150 -10.304 -2.095
234 2HG LYS 28 2HG LYS 28 0.021 -11.031 -3.196
235 1HD LYS 28 1HD LYS 28 -1.249 -13.097 -3.230
236 2HD LYS 28 2HD LYS 28 -2.384 -12.446 -2.044
237 1HE LYS 28 1HE LYS 28 -2.765 -10.569 -3.771
238 2HE LYS 28 2HE LYS 28 -2.001 -11.670 -4.916
239 1HZ LYS 28 1HZ LYS 28 -3.691 -13.329 -4.357
240 2HZ LYS 28 2HZ LYS 28 -4.387 -11.916 -4.972
241 3HZ LYS 28 3HZ LYS 28 -4.438 -12.229 -3.311
242 H LYS 29 H LYS 29 0.756 -9.553 2.070
243 HA LYS 29 HA LYS 29 1.504 -11.973 3.533
244 1HB LYS 29 1HB LYS 29 1.769 -9.035 4.071
245 2HB LYS 29 2HB LYS 29 1.860 -10.179 5.402
246 1HG LYS 29 1HG LYS 29 3.684 -11.352 4.148
247 2HG LYS 29 2HG LYS 29 3.667 -10.008 3.005
248 1HD LYS 29 1HD LYS 29 3.892 -9.385 5.906
249 2HD LYS 29 2HD LYS 29 5.305 -10.052 5.087
250 1HE LYS 29 1HE LYS 29 3.806 -7.725 3.935
251 2HE LYS 29 2HE LYS 29 5.021 -7.488 5.190
252 1HZ LYS 29 1HZ LYS 29 5.482 -8.799 2.563
253 2HZ LYS 29 2HZ LYS 29 6.648 -8.572 3.766
254 3HZ LYS 29 3HZ LYS 29 5.969 -7.235 2.985
Start of MODEL 39
1 H TYR 1 H TYR 1 -10.705 14.712 4.720
2 HA TYR 1 HA TYR 1 -8.531 12.744 4.569
3 1HB TYR 1 1HB TYR 1 -11.131 12.723 3.061
4 2HB TYR 1 2HB TYR 1 -10.123 11.367 3.551
5 HD1 TYR 1 HD1 TYR 1 -13.130 12.993 4.168
6 HD2 TYR 1 HD2 TYR 1 -9.890 11.165 6.233
7 HE1 TYR 1 HE1 TYR 1 -14.581 12.640 6.120
8 HE2 TYR 1 HE2 TYR 1 -11.333 10.805 8.191
9 HH TYR 1 HH TYR 1 -14.353 10.688 8.257
10 H LYS 2 H LYS 2 -6.946 13.539 3.303
11 HA LYS 2 HA LYS 2 -7.631 15.146 0.961
12 1HB LYS 2 1HB LYS 2 -5.794 15.791 2.599
13 2HB LYS 2 2HB LYS 2 -4.860 14.459 1.935
14 1HG LYS 2 1HG LYS 2 -4.136 15.792 0.327
15 2HG LYS 2 2HG LYS 2 -5.793 15.974 -0.253
16 1HD LYS 2 1HD LYS 2 -5.879 17.702 1.779
17 2HD LYS 2 2HD LYS 2 -4.151 17.785 1.427
18 1HE LYS 2 1HE LYS 2 -4.937 19.424 0.031
19 2HE LYS 2 2HE LYS 2 -4.991 18.031 -1.049
20 1HZ LYS 2 1HZ LYS 2 -7.030 19.314 -1.166
21 2HZ LYS 2 2HZ LYS 2 -7.288 19.118 0.493
22 3HZ LYS 2 3HZ LYS 2 -7.343 17.776 -0.535
23 H PHE 3 H PHE 3 -5.463 12.373 1.645
24 HA PHE 3 HA PHE 3 -5.648 11.596 -1.163
25 1HB PHE 3 1HB PHE 3 -3.731 11.090 1.056
26 2HB PHE 3 2HB PHE 3 -3.878 9.873 -0.195
27 HD1 PHE 3 HD1 PHE 3 -3.237 13.485 0.326
28 HD2 PHE 3 HD2 PHE 3 -2.739 10.108 -2.215
29 HE1 PHE 3 HE1 PHE 3 -1.724 14.792 -1.109
30 HE2 PHE 3 HE2 PHE 3 -1.226 11.409 -3.654
31 HZ PHE 3 HZ PHE 3 -0.716 13.754 -3.101
32 H ALA 4 H ALA 4 -5.705 9.203 -1.603
33 HA ALA 4 HA ALA 4 -7.065 7.535 0.323
34 1HB ALA 4 1HB ALA 4 -8.491 8.394 -2.193
35 2HB ALA 4 2HB ALA 4 -8.951 8.790 -0.537
36 3HB ALA 4 3HB ALA 4 -9.033 7.121 -1.099
37 H CYS 5 H CYS 5 -6.793 5.371 -0.097
38 HA CYS 5 HA CYS 5 -4.876 4.670 -2.120
39 1HB CYS 5 1HB CYS 5 -5.074 3.647 0.223
40 2HB CYS 5 2HB CYS 5 -6.420 2.720 -0.418
41 HG CYS 5 HG CYS 5 -4.764 1.117 -1.203
42 HA PRO 6 HA PRO 6 -7.804 3.532 -5.263
43 1HB PRO 6 1HB PRO 6 -6.168 2.140 -6.896
44 2HB PRO 6 2HB PRO 6 -6.068 3.897 -6.736
45 1HG PRO 6 1HG PRO 6 -4.373 1.780 -5.473
46 2HG PRO 6 2HG PRO 6 -3.883 3.323 -6.195
47 1HD PRO 6 1HD PRO 6 -4.151 2.936 -3.506
48 2HD PRO 6 2HD PRO 6 -4.377 4.510 -4.296
49 H GLU 7 H GLU 7 -6.127 1.231 -3.290
50 HA GLU 7 HA GLU 7 -7.722 -0.993 -4.327
51 1HB GLU 7 1HB GLU 7 -5.165 -0.754 -2.816
52 2HB GLU 7 2HB GLU 7 -6.142 -2.188 -2.555
53 1HG GLU 7 1HG GLU 7 -4.630 -2.778 -4.233
54 2HG GLU 7 2HG GLU 7 -6.145 -2.465 -5.079
55 H CYS 8 H CYS 8 -6.879 0.644 -1.274
56 HA CYS 8 HA CYS 8 -9.299 -0.535 -0.067
57 1HB CYS 8 1HB CYS 8 -8.187 -0.433 2.087
58 2HB CYS 8 2HB CYS 8 -7.193 -1.328 0.948
59 HG CYS 8 HG CYS 8 -6.480 1.634 1.464
60 HA PRO 9 HA PRO 9 -10.610 3.583 0.862
61 1HB PRO 9 1HB PRO 9 -12.236 3.188 2.939
62 2HB PRO 9 2HB PRO 9 -12.553 2.431 1.374
63 1HG PRO 9 1HG PRO 9 -11.464 1.235 3.872
64 2HG PRO 9 2HG PRO 9 -12.502 0.507 2.636
65 1HD PRO 9 1HD PRO 9 -9.696 0.230 2.873
66 2HD PRO 9 2HD PRO 9 -10.701 -0.289 1.509
67 H LYS 10 H LYS 10 -7.955 3.304 1.931
68 HA LYS 10 HA LYS 10 -8.092 4.351 4.641
69 1HB LYS 10 1HB LYS 10 -5.633 3.866 2.948
70 2HB LYS 10 2HB LYS 10 -5.671 4.210 4.651
71 1HG LYS 10 1HG LYS 10 -7.143 1.828 3.670
72 2HG LYS 10 2HG LYS 10 -5.382 1.765 3.781
73 1HD LYS 10 1HD LYS 10 -5.551 2.465 6.152
74 2HD LYS 10 2HD LYS 10 -7.309 2.392 6.016
75 1HE LYS 10 1HE LYS 10 -7.031 -0.015 5.305
76 2HE LYS 10 2HE LYS 10 -5.339 0.128 5.779
77 1HZ LYS 10 1HZ LYS 10 -6.061 0.692 8.023
78 2HZ LYS 10 2HZ LYS 10 -6.661 -0.819 7.555
79 3HZ LYS 10 3HZ LYS 10 -7.682 0.529 7.562
80 H ARG 11 H ARG 11 -7.135 6.336 5.248
81 HA ARG 11 HA ARG 11 -6.656 8.300 3.133
82 1HB ARG 11 1HB ARG 11 -8.068 9.953 4.515
83 2HB ARG 11 2HB ARG 11 -8.912 8.797 3.496
84 1HG ARG 11 1HG ARG 11 -8.702 7.482 5.915
85 2HG ARG 11 2HG ARG 11 -9.003 9.159 6.373
86 1HD ARG 11 1HD ARG 11 -10.937 9.185 4.824
87 2HD ARG 11 2HD ARG 11 -10.663 7.474 4.501
88 HE ARG 11 HE ARG 11 -11.817 8.645 6.882
89 1HH1 ARG 11 1HH1 ARG 11 -10.369 5.790 5.459
90 2HH1 ARG 11 2HH1 ARG 11 -11.065 4.711 6.619
91 1HH2 ARG 11 1HH2 ARG 11 -12.726 7.219 8.406
92 2HH2 ARG 11 2HH2 ARG 11 -12.403 5.521 8.293
93 H PHE 12 H PHE 12 -4.989 9.619 3.581
94 HA PHE 12 HA PHE 12 -4.077 9.800 6.374
95 1HB PHE 12 1HB PHE 12 -2.263 9.440 4.016
96 2HB PHE 12 2HB PHE 12 -1.782 9.492 5.697
97 HD1 PHE 12 HD1 PHE 12 -4.245 7.581 3.637
98 HD2 PHE 12 HD2 PHE 12 -1.156 7.455 6.558
99 HE1 PHE 12 HE1 PHE 12 -4.444 5.150 3.728
100 HE2 PHE 12 HE2 PHE 12 -1.357 5.001 6.656
101 HZ PHE 12 HZ PHE 12 -3.005 3.847 5.219
102 H MET 13 H MET 13 -2.858 11.647 6.926
103 HA MET 13 HA MET 13 -3.630 14.016 5.484
104 1HB MET 13 1HB MET 13 -1.987 13.569 7.978
105 2HB MET 13 2HB MET 13 -2.267 15.165 7.296
106 1HG MET 13 1HG MET 13 -4.722 14.726 7.511
107 2HG MET 13 2HG MET 13 -4.313 13.259 8.400
108 1HE MET 13 1HE MET 13 -3.965 13.240 10.985
109 2HE MET 13 2HE MET 13 -2.929 14.459 11.726
110 3HE MET 13 3HE MET 13 -2.339 13.515 10.358
111 H ARG 14 H ARG 14 -0.795 12.002 5.739
112 HA ARG 14 HA ARG 14 0.837 13.953 4.279
113 1HB ARG 14 1HB ARG 14 1.569 11.348 5.621
114 2HB ARG 14 2HB ARG 14 2.706 12.353 4.742
115 1HG ARG 14 1HG ARG 14 1.195 13.152 7.223
116 2HG ARG 14 2HG ARG 14 2.890 12.666 7.151
117 1HD ARG 14 1HD ARG 14 3.106 14.946 7.116
118 2HD ARG 14 2HD ARG 14 3.041 14.602 5.384
119 HE ARG 14 HE ARG 14 0.439 15.013 6.141
120 1HH1 ARG 14 1HH1 ARG 14 3.391 16.890 6.258
121 2HH1 ARG 14 2HH1 ARG 14 2.575 18.410 6.122
122 1HH2 ARG 14 1HH2 ARG 14 -0.631 17.017 5.958
123 2HH2 ARG 14 2HH2 ARG 14 0.290 18.483 5.952
124 H SER 15 H SER 15 2.005 13.298 2.388
125 HA SER 15 HA SER 15 0.460 11.486 0.715
126 1HB SER 15 1HB SER 15 0.827 13.196 -0.656
127 2HB SER 15 2HB SER 15 2.210 13.787 0.259
128 HG SER 15 HG SER 15 2.914 13.094 -1.754
129 H ASP 16 H ASP 16 3.808 11.935 1.789
130 HA ASP 16 HA ASP 16 4.842 9.628 0.498
131 1HB ASP 16 1HB ASP 16 6.657 9.965 2.438
132 2HB ASP 16 2HB ASP 16 6.599 10.994 1.015
133 H HIS 17 H HIS 17 3.804 10.229 3.847
134 HA HIS 17 HA HIS 17 4.395 7.671 4.856
135 1HB HIS 17 1HB HIS 17 2.385 9.754 5.709
136 2HB HIS 17 2HB HIS 17 2.644 8.259 6.596
137 HD1 HIS 17 HD1 HIS 17 3.267 10.171 8.477
138 HD2 HIS 17 HD2 HIS 17 5.993 9.539 5.405
139 HE1 HIS 17 HE1 HIS 17 5.432 11.154 9.286
140 HE2 HIS 17 HE2 HIS 17 7.042 10.847 7.375
141 H LEU 18 H LEU 18 1.446 8.986 3.380
142 HA LEU 18 HA LEU 18 -0.227 6.778 3.757
143 1HB LEU 18 1HB LEU 18 -0.890 9.037 2.940
144 2HB LEU 18 2HB LEU 18 -0.190 8.644 1.392
145 HG LEU 18 HG LEU 18 -2.323 6.902 2.550
146 1HD1 LEU 18 1HD1 LEU 18 -3.459 8.901 2.705
147 2HD1 LEU 18 2HD1 LEU 18 -3.856 8.376 1.071
148 3HD1 LEU 18 3HD1 LEU 18 -2.613 9.604 1.330
149 1HD2 LEU 18 1HD2 LEU 18 -1.812 5.838 0.661
150 2HD2 LEU 18 2HD2 LEU 18 -0.944 7.227 0.004
151 3HD2 LEU 18 3HD2 LEU 18 -2.699 7.135 -0.144
152 H THR 19 H THR 19 1.955 7.597 1.073
153 HA THR 19 HA THR 19 1.375 5.374 -0.513
154 HB THR 19 HB THR 19 3.988 6.895 -0.343
155 HG1 THR 19 HG1 THR 19 2.729 8.440 -1.019
156 1HG2 THR 19 1HG2 THR 19 4.391 4.966 -1.649
157 2HG2 THR 19 2HG2 THR 19 4.151 6.305 -2.772
158 3HG2 THR 19 3HG2 THR 19 2.856 5.139 -2.499
159 H LEU 20 H LEU 20 3.503 5.789 2.246
160 HA LEU 20 HA LEU 20 5.051 3.456 1.982
161 1HB LEU 20 1HB LEU 20 5.367 5.404 3.601
162 2HB LEU 20 2HB LEU 20 4.146 4.646 4.602
163 HG LEU 20 HG LEU 20 6.309 2.824 3.846
164 1HD1 LEU 20 1HD1 LEU 20 6.946 5.191 5.600
165 2HD1 LEU 20 2HD1 LEU 20 7.589 4.914 3.981
166 3HD1 LEU 20 3HD1 LEU 20 7.991 3.804 5.291
167 1HD2 LEU 20 1HD2 LEU 20 6.219 2.297 6.225
168 2HD2 LEU 20 2HD2 LEU 20 4.602 2.307 5.522
169 3HD2 LEU 20 3HD2 LEU 20 5.147 3.670 6.499
170 H HIS 21 H HIS 21 1.836 4.040 3.277
171 HA HIS 21 HA HIS 21 1.401 1.556 4.515
172 1HB HIS 21 1HB HIS 21 -0.536 2.550 5.057
173 2HB HIS 21 2HB HIS 21 -0.027 3.948 4.153
174 HD1 HIS 21 HD1 HIS 21 -2.008 4.709 2.837
175 HD2 HIS 21 HD2 HIS 21 -1.603 0.592 2.772
176 HE1 HIS 21 HE1 HIS 21 -3.892 3.816 1.419
177 H ILE 22 H ILE 22 0.533 2.763 1.321
178 HA ILE 22 HA ILE 22 -0.833 0.567 0.379
179 HB ILE 22 HB ILE 22 0.838 2.326 -1.407
180 1HG1 ILE 22 1HG1 ILE 22 -1.994 2.984 -0.797
181 2HG1 ILE 22 2HG1 ILE 22 -0.825 3.371 0.442
182 1HG2 ILE 22 1HG2 ILE 22 -0.637 1.755 -3.104
183 2HG2 ILE 22 2HG2 ILE 22 -1.899 1.264 -1.973
184 3HG2 ILE 22 3HG2 ILE 22 -0.485 0.236 -2.220
185 1HD1 ILE 22 1HD1 ILE 22 -0.546 5.273 -0.634
186 2HD1 ILE 22 2HD1 ILE 22 -1.392 4.682 -2.062
187 3HD1 ILE 22 3HD1 ILE 22 0.325 4.344 -1.851
188 H LEU 23 H LEU 23 2.530 0.710 1.002
189 HA LEU 23 HA LEU 23 3.503 -1.096 -0.922
190 1HB LEU 23 1HB LEU 23 4.388 -0.170 1.757
191 2HB LEU 23 2HB LEU 23 5.083 -1.668 1.170
192 HG LEU 23 HG LEU 23 5.182 0.372 -0.877
193 1HD1 LEU 23 1HD1 LEU 23 6.332 1.038 1.818
194 2HD1 LEU 23 2HD1 LEU 23 5.290 2.027 0.794
195 3HD1 LEU 23 3HD1 LEU 23 6.960 1.719 0.316
196 1HD2 LEU 23 1HD2 LEU 23 7.347 -1.115 0.605
197 2HD2 LEU 23 2HD2 LEU 23 7.523 -0.261 -0.928
198 3HD2 LEU 23 3HD2 LEU 23 6.506 -1.697 -0.831
199 H LEU 24 H LEU 24 1.545 -1.549 1.925
200 HA LEU 24 HA LEU 24 2.000 -4.235 2.533
201 1HB LEU 24 1HB LEU 24 -0.705 -2.893 2.583
202 2HB LEU 24 2HB LEU 24 -0.187 -4.263 3.543
203 HG LEU 24 HG LEU 24 1.355 -1.763 3.916
204 1HD1 LEU 24 1HD1 LEU 24 -0.270 -0.634 5.190
205 2HD1 LEU 24 2HD1 LEU 24 -1.365 -2.017 5.173
206 3HD1 LEU 24 3HD1 LEU 24 -1.094 -1.087 3.697
207 1HD2 LEU 24 1HD2 LEU 24 0.197 -3.837 5.774
208 2HD2 LEU 24 2HD2 LEU 24 1.226 -2.490 6.263
209 3HD2 LEU 24 3HD2 LEU 24 1.865 -3.750 5.206
210 H HIS 25 H HIS 25 -0.254 -2.775 0.210
211 HA HIS 25 HA HIS 25 -1.505 -5.095 -0.697
212 1HB HIS 25 1HB HIS 25 -0.904 -2.586 -2.281
213 2HB HIS 25 2HB HIS 25 -2.119 -3.796 -2.683
214 HD1 HIS 25 HD1 HIS 25 -3.996 -4.089 -0.604
215 HD2 HIS 25 HD2 HIS 25 -1.906 -0.511 -0.913
216 HE1 HIS 25 HE1 HIS 25 -5.314 -2.378 0.713
217 H GLU 26 H GLU 26 1.527 -3.591 -1.733
218 HA GLU 26 HA GLU 26 1.999 -5.162 -4.011
219 1HB GLU 26 1HB GLU 26 3.244 -3.065 -3.241
220 2HB GLU 26 2HB GLU 26 4.164 -4.125 -2.183
221 1HG GLU 26 1HG GLU 26 5.473 -3.832 -4.110
222 2HG GLU 26 2HG GLU 26 4.778 -5.446 -4.241
223 H ASN 27 H ASN 27 2.998 -5.643 -0.628
224 HA ASN 27 HA ASN 27 3.032 -8.505 -1.014
225 1HB ASN 27 1HB ASN 27 5.423 -8.522 0.094
226 2HB ASN 27 2HB ASN 27 5.249 -8.368 -1.649
227 1HD2 ASN 27 1HD2 ASN 27 5.884 -6.512 -2.649
228 2HD2 ASN 27 2HD2 ASN 27 6.665 -5.204 -1.833
229 H LYS 28 H LYS 28 1.601 -8.871 0.588
230 HA LYS 28 HA LYS 28 2.121 -7.700 3.233
231 1HB LYS 28 1HB LYS 28 -0.177 -7.598 1.938
232 2HB LYS 28 2HB LYS 28 -0.379 -9.213 2.602
233 1HG LYS 28 1HG LYS 28 -0.072 -8.323 4.859
234 2HG LYS 28 2HG LYS 28 0.124 -6.702 4.189
235 1HD LYS 28 1HD LYS 28 -2.127 -6.701 3.367
236 2HD LYS 28 2HD LYS 28 -2.335 -8.402 3.789
237 1HE LYS 28 1HE LYS 28 -3.410 -7.286 5.523
238 2HE LYS 28 2HE LYS 28 -1.821 -7.645 6.196
239 1HZ LYS 28 1HZ LYS 28 -2.618 -5.046 4.995
240 2HZ LYS 28 2HZ LYS 28 -1.127 -5.397 5.711
241 3HZ LYS 28 3HZ LYS 28 -2.530 -5.367 6.654
242 H LYS 29 H LYS 29 2.874 -8.921 4.835
243 HA LYS 29 HA LYS 29 2.521 -11.836 4.702
244 1HB LYS 29 1HB LYS 29 4.863 -10.852 3.990
245 2HB LYS 29 2HB LYS 29 5.100 -10.724 5.727
246 1HG LYS 29 1HG LYS 29 4.152 -13.311 4.610
247 2HG LYS 29 2HG LYS 29 5.844 -12.860 4.396
248 1HD LYS 29 1HD LYS 29 5.880 -12.422 6.904
249 2HD LYS 29 2HD LYS 29 4.327 -13.259 6.963
250 1HE LYS 29 1HE LYS 29 5.327 -15.257 6.042
251 2HE LYS 29 2HE LYS 29 6.868 -14.427 5.834
252 1HZ LYS 29 1HZ LYS 29 6.886 -15.806 7.806
253 2HZ LYS 29 2HZ LYS 29 5.538 -14.997 8.429
254 3HZ LYS 29 3HZ LYS 29 7.005 -14.174 8.241
Start of MODEL 40
1 H TYR 1 H TYR 1 -8.108 13.796 6.975
2 HA TYR 1 HA TYR 1 -7.059 11.507 5.455
3 1HB TYR 1 1HB TYR 1 -9.878 12.460 6.029
4 2HB TYR 1 2HB TYR 1 -9.429 10.979 5.193
5 HD1 TYR 1 HD1 TYR 1 -7.467 9.700 6.800
6 HD2 TYR 1 HD2 TYR 1 -10.814 11.995 8.077
7 HE1 TYR 1 HE1 TYR 1 -7.471 8.493 8.941
8 HE2 TYR 1 HE2 TYR 1 -10.826 10.797 10.222
9 HH TYR 1 HH TYR 1 -8.665 9.404 11.566
10 H LYS 2 H LYS 2 -5.916 13.045 4.054
11 HA LYS 2 HA LYS 2 -7.619 14.736 2.386
12 1HB LYS 2 1HB LYS 2 -4.741 14.635 3.039
13 2HB LYS 2 2HB LYS 2 -5.117 15.076 1.380
14 1HG LYS 2 1HG LYS 2 -6.705 16.803 2.367
15 2HG LYS 2 2HG LYS 2 -5.905 16.484 3.907
16 1HD LYS 2 1HD LYS 2 -3.815 17.232 3.085
17 2HD LYS 2 2HD LYS 2 -4.388 17.227 1.416
18 1HE LYS 2 1HE LYS 2 -5.752 18.961 3.428
19 2HE LYS 2 2HE LYS 2 -4.202 19.469 2.761
20 1HZ LYS 2 1HZ LYS 2 -6.041 20.372 1.490
21 2HZ LYS 2 2HZ LYS 2 -6.635 18.818 1.185
22 3HZ LYS 2 3HZ LYS 2 -5.147 19.295 0.539
23 H PHE 3 H PHE 3 -5.165 12.175 1.955
24 HA PHE 3 HA PHE 3 -6.026 11.779 -0.796
25 1HB PHE 3 1HB PHE 3 -3.670 11.038 0.832
26 2HB PHE 3 2HB PHE 3 -4.145 9.885 -0.398
27 HD1 PHE 3 HD1 PHE 3 -4.324 10.675 -2.794
28 HD2 PHE 3 HD2 PHE 3 -2.501 12.986 0.282
29 HE1 PHE 3 HE1 PHE 3 -3.161 12.019 -4.496
30 HE2 PHE 3 HE2 PHE 3 -1.338 14.333 -1.416
31 HZ PHE 3 HZ PHE 3 -1.667 13.851 -3.808
32 H ALA 4 H ALA 4 -6.051 9.364 -1.489
33 HA ALA 4 HA ALA 4 -7.241 7.571 0.456
34 1HB ALA 4 1HB ALA 4 -8.794 8.528 -1.946
35 2HB ALA 4 2HB ALA 4 -9.187 8.819 -0.251
36 3HB ALA 4 3HB ALA 4 -9.264 7.183 -0.907
37 H CYS 5 H CYS 5 -6.812 5.465 -0.007
38 HA CYS 5 HA CYS 5 -5.004 4.861 -2.118
39 1HB CYS 5 1HB CYS 5 -5.285 3.700 0.195
40 2HB CYS 5 2HB CYS 5 -6.524 2.753 -0.613
41 HG CYS 5 HG CYS 5 -3.621 2.737 -1.709
42 HA PRO 6 HA PRO 6 -7.926 3.960 -5.342
43 1HB PRO 6 1HB PRO 6 -6.293 2.600 -7.018
44 2HB PRO 6 2HB PRO 6 -6.189 4.350 -6.802
45 1HG PRO 6 1HG PRO 6 -4.516 2.188 -5.583
46 2HG PRO 6 2HG PRO 6 -4.007 3.743 -6.270
47 1HD PRO 6 1HD PRO 6 -4.268 3.326 -3.601
48 2HD PRO 6 2HD PRO 6 -4.551 4.907 -4.361
49 H GLU 7 H GLU 7 -6.211 1.497 -3.569
50 HA GLU 7 HA GLU 7 -7.931 -0.611 -4.658
51 1HB GLU 7 1HB GLU 7 -5.280 -0.677 -4.247
52 2HB GLU 7 2HB GLU 7 -5.815 -1.243 -2.671
53 1HG GLU 7 1HG GLU 7 -6.866 -2.487 -5.180
54 2HG GLU 7 2HG GLU 7 -5.302 -2.961 -4.519
55 H CYS 8 H CYS 8 -6.821 0.648 -1.497
56 HA CYS 8 HA CYS 8 -9.194 -0.588 -0.262
57 1HB CYS 8 1HB CYS 8 -8.018 -0.595 1.816
58 2HB CYS 8 2HB CYS 8 -6.930 -1.240 0.599
59 HG CYS 8 HG CYS 8 -5.365 0.612 0.999
60 HA PRO 9 HA PRO 9 -10.699 3.398 0.914
61 1HB PRO 9 1HB PRO 9 -12.118 2.837 3.102
62 2HB PRO 9 2HB PRO 9 -12.515 2.109 1.543
63 1HG PRO 9 1HG PRO 9 -11.158 0.910 3.902
64 2HG PRO 9 2HG PRO 9 -12.237 0.153 2.721
65 1HD PRO 9 1HD PRO 9 -9.411 0.060 2.737
66 2HD PRO 9 2HD PRO 9 -10.480 -0.486 1.436
67 H LYS 10 H LYS 10 -7.920 3.073 1.892
68 HA LYS 10 HA LYS 10 -7.970 4.170 4.580
69 1HB LYS 10 1HB LYS 10 -5.605 3.683 2.765
70 2HB LYS 10 2HB LYS 10 -5.527 4.115 4.446
71 1HG LYS 10 1HG LYS 10 -7.051 1.677 3.758
72 2HG LYS 10 2HG LYS 10 -5.292 1.617 3.625
73 1HD LYS 10 1HD LYS 10 -5.111 2.402 5.952
74 2HD LYS 10 2HD LYS 10 -6.872 2.396 6.075
75 1HE LYS 10 1HE LYS 10 -6.244 0.362 7.027
76 2HE LYS 10 2HE LYS 10 -6.714 -0.070 5.384
77 1HZ LYS 10 1HZ LYS 10 -4.390 -0.095 4.750
78 2HZ LYS 10 2HZ LYS 10 -4.647 -1.144 6.052
79 3HZ LYS 10 3HZ LYS 10 -3.924 0.364 6.312
80 H ARG 11 H ARG 11 -7.062 6.187 5.136
81 HA ARG 11 HA ARG 11 -6.725 8.141 2.985
82 1HB ARG 11 1HB ARG 11 -8.484 8.587 5.395
83 2HB ARG 11 2HB ARG 11 -8.129 9.760 4.145
84 1HG ARG 11 1HG ARG 11 -9.471 8.715 2.586
85 2HG ARG 11 2HG ARG 11 -9.403 7.162 3.419
86 1HD ARG 11 1HD ARG 11 -10.936 7.833 5.048
87 2HD ARG 11 2HD ARG 11 -10.701 9.543 4.694
88 HE ARG 11 HE ARG 11 -12.242 9.384 3.002
89 1HH1 ARG 11 1HH1 ARG 11 -11.376 6.153 4.045
90 2HH1 ARG 11 2HH1 ARG 11 -12.626 5.390 3.122
91 1HH2 ARG 11 1HH2 ARG 11 -13.884 8.371 1.791
92 2HH2 ARG 11 2HH2 ARG 11 -14.049 6.647 1.843
93 H PHE 12 H PHE 12 -5.180 9.651 3.380
94 HA PHE 12 HA PHE 12 -4.084 9.870 6.090
95 1HB PHE 12 1HB PHE 12 -2.331 9.437 3.697
96 2HB PHE 12 2HB PHE 12 -1.822 9.523 5.368
97 HD1 PHE 12 HD1 PHE 12 -4.217 7.554 3.289
98 HD2 PHE 12 HD2 PHE 12 -1.271 7.516 6.357
99 HE1 PHE 12 HE1 PHE 12 -4.413 5.122 3.432
100 HE2 PHE 12 HE2 PHE 12 -1.466 5.066 6.508
101 HZ PHE 12 HZ PHE 12 -3.040 3.866 5.031
102 H MET 13 H MET 13 -3.061 11.800 6.572
103 HA MET 13 HA MET 13 -3.808 14.037 4.918
104 1HB MET 13 1HB MET 13 -2.589 15.360 6.735
105 2HB MET 13 2HB MET 13 -4.023 14.467 7.218
106 1HG MET 13 1HG MET 13 -2.828 12.933 8.435
107 2HG MET 13 2HG MET 13 -1.353 13.182 7.505
108 1HE MET 13 1HE MET 13 -2.829 13.401 10.696
109 2HE MET 13 2HE MET 13 -1.733 14.468 11.575
110 3HE MET 13 3HE MET 13 -1.102 13.047 10.743
111 H ARG 14 H ARG 14 -0.977 12.091 5.347
112 HA ARG 14 HA ARG 14 0.712 14.064 3.986
113 1HB ARG 14 1HB ARG 14 1.358 11.502 5.450
114 2HB ARG 14 2HB ARG 14 2.544 12.371 4.490
115 1HG ARG 14 1HG ARG 14 2.990 13.192 6.573
116 2HG ARG 14 2HG ARG 14 1.845 14.398 5.982
117 1HD ARG 14 1HD ARG 14 0.531 13.983 7.722
118 2HD ARG 14 2HD ARG 14 0.335 12.320 7.164
119 HE ARG 14 HE ARG 14 1.758 11.636 8.815
120 1HH1 ARG 14 1HH1 ARG 14 2.103 15.100 8.439
121 2HH1 ARG 14 2HH1 ARG 14 3.109 15.275 9.836
122 1HH2 ARG 14 1HH2 ARG 14 3.084 11.874 10.656
123 2HH2 ARG 14 2HH2 ARG 14 3.667 13.445 11.094
124 H SER 15 H SER 15 2.085 13.333 2.207
125 HA SER 15 HA SER 15 0.601 11.561 0.423
126 1HB SER 15 1HB SER 15 1.033 13.204 -0.988
127 2HB SER 15 2HB SER 15 2.245 13.923 0.069
128 HG SER 15 HG SER 15 3.783 12.922 -1.005
129 H ASP 16 H ASP 16 3.858 11.956 1.783
130 HA ASP 16 HA ASP 16 4.896 9.633 0.464
131 1HB ASP 16 1HB ASP 16 6.924 10.015 1.699
132 2HB ASP 16 2HB ASP 16 6.317 11.567 1.142
133 H HIS 17 H HIS 17 3.631 10.314 3.700
134 HA HIS 17 HA HIS 17 4.297 7.799 4.830
135 1HB HIS 17 1HB HIS 17 2.275 9.912 5.560
136 2HB HIS 17 2HB HIS 17 2.410 8.407 6.457
137 HD1 HIS 17 HD1 HIS 17 3.022 10.054 8.476
138 HD2 HIS 17 HD2 HIS 17 5.828 9.784 5.426
139 HE1 HIS 17 HE1 HIS 17 5.139 11.007 9.426
140 HE2 HIS 17 HE2 HIS 17 6.794 10.939 7.529
141 H LEU 18 H LEU 18 1.403 9.034 3.191
142 HA LEU 18 HA LEU 18 -0.276 6.834 3.563
143 1HB LEU 18 1HB LEU 18 -0.892 9.065 2.619
144 2HB LEU 18 2HB LEU 18 -0.129 8.593 1.122
145 HG LEU 18 HG LEU 18 -2.297 6.888 2.261
146 1HD1 LEU 18 1HD1 LEU 18 -2.588 9.546 0.940
147 2HD1 LEU 18 2HD1 LEU 18 -3.446 8.895 2.335
148 3HD1 LEU 18 3HD1 LEU 18 -3.812 8.295 0.717
149 1HD2 LEU 18 1HD2 LEU 18 -2.575 7.090 -0.461
150 2HD2 LEU 18 2HD2 LEU 18 -1.759 5.785 0.409
151 3HD2 LEU 18 3HD2 LEU 18 -0.828 7.142 -0.229
152 H THR 19 H THR 19 2.038 7.550 0.961
153 HA THR 19 HA THR 19 1.527 5.265 -0.560
154 HB THR 19 HB THR 19 4.139 6.782 -0.344
155 HG1 THR 19 HG1 THR 19 2.925 8.322 -1.104
156 1HG2 THR 19 1HG2 THR 19 3.051 4.994 -2.498
157 2HG2 THR 19 2HG2 THR 19 4.548 4.805 -1.584
158 3HG2 THR 19 3HG2 THR 19 4.382 6.124 -2.743
159 H LEU 20 H LEU 20 3.573 5.806 2.252
160 HA LEU 20 HA LEU 20 5.113 3.461 2.148
161 1HB LEU 20 1HB LEU 20 5.393 5.451 3.703
162 2HB LEU 20 2HB LEU 20 4.100 4.772 4.669
163 HG LEU 20 HG LEU 20 6.261 2.873 4.105
164 1HD1 LEU 20 1HD1 LEU 20 7.601 4.903 4.262
165 2HD1 LEU 20 2HD1 LEU 20 7.845 3.869 5.669
166 3HD1 LEU 20 3HD1 LEU 20 6.828 5.305 5.795
167 1HD2 LEU 20 1HD2 LEU 20 4.942 3.819 6.648
168 2HD2 LEU 20 2HD2 LEU 20 6.001 2.417 6.484
169 3HD2 LEU 20 3HD2 LEU 20 4.435 2.439 5.673
170 H HIS 21 H HIS 21 1.858 4.102 3.323
171 HA HIS 21 HA HIS 21 1.349 1.673 4.627
172 1HB HIS 21 1HB HIS 21 -0.611 2.703 5.014
173 2HB HIS 21 2HB HIS 21 -0.073 4.036 4.033
174 HD1 HIS 21 HD1 HIS 21 -2.035 4.671 2.607
175 HD2 HIS 21 HD2 HIS 21 -1.518 0.570 2.791
176 HE1 HIS 21 HE1 HIS 21 -3.839 3.646 1.164
177 H ILE 22 H ILE 22 0.640 2.719 1.344
178 HA ILE 22 HA ILE 22 -0.636 0.454 0.438
179 HB ILE 22 HB ILE 22 1.091 2.165 -1.341
180 1HG1 ILE 22 1HG1 ILE 22 -1.779 2.793 -0.895
181 2HG1 ILE 22 2HG1 ILE 22 -0.675 3.263 0.376
182 1HG2 ILE 22 1HG2 ILE 22 -0.177 1.404 -3.084
183 2HG2 ILE 22 2HG2 ILE 22 -1.600 1.146 -2.070
184 3HG2 ILE 22 3HG2 ILE 22 -0.269 -0.013 -2.037
185 1HD1 ILE 22 1HD1 ILE 22 0.559 4.149 -1.912
186 2HD1 ILE 22 2HD1 ILE 22 -0.380 5.117 -0.776
187 3HD1 ILE 22 3HD1 ILE 22 -1.153 4.445 -2.209
188 H LEU 23 H LEU 23 2.640 0.622 1.317
189 HA LEU 23 HA LEU 23 3.846 -1.144 -0.481
190 1HB LEU 23 1HB LEU 23 4.315 -0.593 2.441
191 2HB LEU 23 2HB LEU 23 5.276 -1.769 1.566
192 HG LEU 23 HG LEU 23 5.050 1.120 0.731
193 1HD1 LEU 23 1HD1 LEU 23 6.038 0.810 3.022
194 2HD1 LEU 23 2HD1 LEU 23 7.100 1.569 1.835
195 3HD1 LEU 23 3HD1 LEU 23 7.322 -0.129 2.259
196 1HD2 LEU 23 1HD2 LEU 23 5.719 -0.381 -1.048
197 2HD2 LEU 23 2HD2 LEU 23 6.961 -1.091 -0.017
198 3HD2 LEU 23 3HD2 LEU 23 7.098 0.590 -0.533
199 H LEU 24 H LEU 24 1.676 -1.707 2.243
200 HA LEU 24 HA LEU 24 2.038 -4.472 2.559
201 1HB LEU 24 1HB LEU 24 -0.344 -4.456 3.414
202 2HB LEU 24 2HB LEU 24 0.796 -3.413 4.236
203 HG LEU 24 HG LEU 24 -0.258 -1.698 2.393
204 1HD1 LEU 24 1HD1 LEU 24 -2.589 -3.332 3.351
205 2HD1 LEU 24 2HD1 LEU 24 -1.894 -3.484 1.738
206 3HD1 LEU 24 3HD1 LEU 24 -2.602 -1.951 2.251
207 1HD2 LEU 24 1HD2 LEU 24 -1.283 -0.646 4.228
208 2HD2 LEU 24 2HD2 LEU 24 0.105 -1.504 4.896
209 3HD2 LEU 24 3HD2 LEU 24 -1.516 -2.174 5.076
210 H HIS 25 H HIS 25 0.022 -2.662 0.293
211 HA HIS 25 HA HIS 25 -1.552 -4.724 -0.702
212 1HB HIS 25 1HB HIS 25 -0.514 -2.199 -1.969
213 2HB HIS 25 2HB HIS 25 -1.558 -3.310 -2.848
214 HD1 HIS 25 HD1 HIS 25 -3.924 -3.839 -1.440
215 HD2 HIS 25 HD2 HIS 25 -1.870 -0.325 -0.613
216 HE1 HIS 25 HE1 HIS 25 -5.571 -2.305 -0.290
217 H GLU 26 H GLU 26 1.791 -3.915 -1.424
218 HA GLU 26 HA GLU 26 2.179 -5.325 -3.784
219 1HB GLU 26 1HB GLU 26 3.835 -3.831 -2.581
220 2HB GLU 26 2HB GLU 26 4.181 -5.195 -1.527
221 1HG GLU 26 1HG GLU 26 4.554 -6.398 -3.870
222 2HG GLU 26 2HG GLU 26 4.914 -4.741 -4.357
223 H ASN 27 H ASN 27 2.309 -6.491 -0.430
224 HA ASN 27 HA ASN 27 2.517 -9.251 -1.417
225 1HB ASN 27 1HB ASN 27 3.034 -8.047 1.309
226 2HB ASN 27 2HB ASN 27 3.030 -9.782 1.000
227 1HD2 ASN 27 1HD2 ASN 27 4.766 -10.719 0.026
228 2HD2 ASN 27 2HD2 ASN 27 6.212 -9.867 -0.379
229 H LYS 28 H LYS 28 0.198 -8.912 -2.081
230 HA LYS 28 HA LYS 28 -1.675 -9.197 0.165
231 1HB LYS 28 1HB LYS 28 -1.864 -7.554 -1.959
232 2HB LYS 28 2HB LYS 28 -2.691 -8.961 -2.612
233 1HG LYS 28 1HG LYS 28 -4.467 -7.904 -1.691
234 2HG LYS 28 2HG LYS 28 -3.952 -8.833 -0.283
235 1HD LYS 28 1HD LYS 28 -2.970 -6.975 0.734
236 2HD LYS 28 2HD LYS 28 -2.886 -6.075 -0.781
237 1HE LYS 28 1HE LYS 28 -5.213 -5.657 -0.774
238 2HE LYS 28 2HE LYS 28 -5.497 -6.844 0.499
239 1HZ LYS 28 1HZ LYS 28 -5.483 -4.373 1.113
240 2HZ LYS 28 2HZ LYS 28 -3.799 -4.481 0.995
241 3HZ LYS 28 3HZ LYS 28 -4.631 -5.444 2.109
242 H LYS 29 H LYS 29 -2.893 -10.997 0.461
243 HA LYS 29 HA LYS 29 -2.098 -13.378 -0.980
244 1HB LYS 29 1HB LYS 29 -3.394 -14.599 0.670
245 2HB LYS 29 2HB LYS 29 -2.358 -13.426 1.470
246 1HG LYS 29 1HG LYS 29 -4.536 -11.931 1.310
247 2HG LYS 29 2HG LYS 29 -5.315 -13.513 1.247
248 1HD LYS 29 1HD LYS 29 -3.268 -12.882 3.347
249 2HD LYS 29 2HD LYS 29 -4.953 -12.398 3.547
250 1HE LYS 29 1HE LYS 29 -5.666 -14.711 3.312
251 2HE LYS 29 2HE LYS 29 -3.999 -15.215 3.036
252 1HZ LYS 29 1HZ LYS 29 -5.067 -14.010 5.533
253 2HZ LYS 29 2HZ LYS 29 -3.452 -14.441 5.273
254 3HZ LYS 29 3HZ LYS 29 -4.651 -15.635 5.309
Start of MODEL 41
1 H TYR 1 H TYR 1 -6.762 13.527 6.545
2 HA TYR 1 HA TYR 1 -7.949 11.113 5.382
3 1HB TYR 1 1HB TYR 1 -9.296 13.330 6.939
4 2HB TYR 1 2HB TYR 1 -10.163 12.245 5.858
5 HD1 TYR 1 HD1 TYR 1 -10.094 9.746 6.368
6 HD2 TYR 1 HD2 TYR 1 -8.857 12.708 9.158
7 HE1 TYR 1 HE1 TYR 1 -10.340 8.119 8.194
8 HE2 TYR 1 HE2 TYR 1 -9.099 11.090 10.993
9 HH TYR 1 HH TYR 1 -10.755 8.662 11.098
10 H LYS 2 H LYS 2 -6.085 12.957 4.238
11 HA LYS 2 HA LYS 2 -7.709 14.738 2.588
12 1HB LYS 2 1HB LYS 2 -5.505 15.431 3.699
13 2HB LYS 2 2HB LYS 2 -4.713 14.449 2.474
14 1HG LYS 2 1HG LYS 2 -5.651 15.818 0.716
15 2HG LYS 2 2HG LYS 2 -6.558 16.760 1.902
16 1HD LYS 2 1HD LYS 2 -4.764 18.141 1.660
17 2HD LYS 2 2HD LYS 2 -4.127 17.090 2.925
18 1HE LYS 2 1HE LYS 2 -3.690 16.151 0.170
19 2HE LYS 2 2HE LYS 2 -2.849 17.640 0.599
20 1HZ LYS 2 1HZ LYS 2 -2.024 16.411 2.608
21 2HZ LYS 2 2HZ LYS 2 -1.411 15.869 1.129
22 3HZ LYS 2 3HZ LYS 2 -2.626 14.992 1.911
23 H PHE 3 H PHE 3 -5.248 12.186 2.138
24 HA PHE 3 HA PHE 3 -5.965 11.935 -0.664
25 1HB PHE 3 1HB PHE 3 -3.758 10.959 1.082
26 2HB PHE 3 2HB PHE 3 -4.143 10.025 -0.349
27 HD1 PHE 3 HD1 PHE 3 -4.055 11.155 -2.598
28 HD2 PHE 3 HD2 PHE 3 -2.525 12.945 0.946
29 HE1 PHE 3 HE1 PHE 3 -2.710 12.698 -3.964
30 HE2 PHE 3 HE2 PHE 3 -1.177 14.491 -0.412
31 HZ PHE 3 HZ PHE 3 -1.269 14.370 -2.870
32 H ALA 4 H ALA 4 -5.982 9.549 -1.467
33 HA ALA 4 HA ALA 4 -7.421 7.752 0.324
34 1HB ALA 4 1HB ALA 4 -9.244 8.960 -0.634
35 2HB ALA 4 2HB ALA 4 -9.189 7.376 -1.406
36 3HB ALA 4 3HB ALA 4 -8.575 8.794 -2.257
37 H CYS 5 H CYS 5 -7.109 5.600 -0.146
38 HA CYS 5 HA CYS 5 -5.007 4.993 -2.027
39 1HB CYS 5 1HB CYS 5 -5.305 3.953 0.297
40 2HB CYS 5 2HB CYS 5 -6.572 2.977 -0.428
41 HG CYS 5 HG CYS 5 -4.682 1.455 -0.848
42 HA PRO 6 HA PRO 6 -7.724 3.797 -5.338
43 1HB PRO 6 1HB PRO 6 -5.925 2.556 -6.922
44 2HB PRO 6 2HB PRO 6 -5.948 4.311 -6.717
45 1HG PRO 6 1HG PRO 6 -4.180 2.275 -5.421
46 2HG PRO 6 2HG PRO 6 -3.759 3.865 -6.083
47 1HD PRO 6 1HD PRO 6 -4.127 3.392 -3.419
48 2HD PRO 6 2HD PRO 6 -4.420 4.969 -4.183
49 H GLU 7 H GLU 7 -5.912 1.548 -3.406
50 HA GLU 7 HA GLU 7 -7.307 -0.761 -4.529
51 1HB GLU 7 1HB GLU 7 -4.847 -0.334 -2.932
52 2HB GLU 7 2HB GLU 7 -5.744 -1.806 -2.600
53 1HG GLU 7 1HG GLU 7 -5.541 -2.514 -4.883
54 2HG GLU 7 2HG GLU 7 -4.809 -0.975 -5.335
55 H CYS 8 H CYS 8 -6.764 0.864 -1.406
56 HA CYS 8 HA CYS 8 -9.184 -0.470 -0.367
57 1HB CYS 8 1HB CYS 8 -8.199 -0.514 1.811
58 2HB CYS 8 2HB CYS 8 -7.021 -1.173 0.689
59 HG CYS 8 HG CYS 8 -5.459 0.630 1.260
60 HA PRO 9 HA PRO 9 -10.689 3.550 0.701
61 1HB PRO 9 1HB PRO 9 -12.285 3.029 2.780
62 2HB PRO 9 2HB PRO 9 -12.584 2.316 1.191
63 1HG PRO 9 1HG PRO 9 -11.452 1.071 3.641
64 2HG PRO 9 2HG PRO 9 -12.450 0.349 2.369
65 1HD PRO 9 1HD PRO 9 -9.634 0.185 2.619
66 2HD PRO 9 2HD PRO 9 -10.608 -0.336 1.236
67 H LYS 10 H LYS 10 -8.012 3.301 1.786
68 HA LYS 10 HA LYS 10 -8.212 4.334 4.502
69 1HB LYS 10 1HB LYS 10 -5.761 3.760 2.832
70 2HB LYS 10 2HB LYS 10 -5.749 4.267 4.493
71 1HG LYS 10 1HG LYS 10 -7.179 1.779 3.661
72 2HG LYS 10 2HG LYS 10 -5.448 1.783 4.003
73 1HD LYS 10 1HD LYS 10 -6.128 1.334 6.105
74 2HD LYS 10 2HD LYS 10 -6.379 3.080 6.182
75 1HE LYS 10 1HE LYS 10 -8.680 2.886 5.895
76 2HE LYS 10 2HE LYS 10 -8.554 1.273 5.197
77 1HZ LYS 10 1HZ LYS 10 -9.438 1.208 7.445
78 2HZ LYS 10 2HZ LYS 10 -8.048 1.964 8.042
79 3HZ LYS 10 3HZ LYS 10 -7.945 0.415 7.370
80 H ARG 11 H ARG 11 -7.279 6.313 5.133
81 HA ARG 11 HA ARG 11 -6.874 8.309 3.025
82 1HB ARG 11 1HB ARG 11 -8.316 9.239 5.435
83 2HB ARG 11 2HB ARG 11 -8.499 9.715 3.759
84 1HG ARG 11 1HG ARG 11 -9.468 7.045 4.697
85 2HG ARG 11 2HG ARG 11 -10.438 8.499 4.930
86 1HD ARG 11 1HD ARG 11 -10.493 8.911 2.566
87 2HD ARG 11 2HD ARG 11 -9.354 7.600 2.267
88 HE ARG 11 HE ARG 11 -11.890 6.911 3.532
89 1HH1 ARG 11 1HH1 ARG 11 -9.946 6.953 0.616
90 2HH1 ARG 11 2HH1 ARG 11 -10.929 5.787 -0.201
91 1HH2 ARG 11 1HH2 ARG 11 -13.179 5.379 2.447
92 2HH2 ARG 11 2HH2 ARG 11 -12.764 4.894 0.837
93 H PHE 12 H PHE 12 -5.202 9.678 3.397
94 HA PHE 12 HA PHE 12 -4.104 9.836 6.119
95 1HB PHE 12 1HB PHE 12 -2.412 9.439 3.675
96 2HB PHE 12 2HB PHE 12 -1.848 9.511 5.329
97 HD1 PHE 12 HD1 PHE 12 -4.351 7.564 3.351
98 HD2 PHE 12 HD2 PHE 12 -1.237 7.498 6.249
99 HE1 PHE 12 HE1 PHE 12 -4.538 5.131 3.485
100 HE2 PHE 12 HE2 PHE 12 -1.425 5.048 6.390
101 HZ PHE 12 HZ PHE 12 -3.078 3.862 4.992
102 H MET 13 H MET 13 -3.023 11.731 6.644
103 HA MET 13 HA MET 13 -3.774 14.045 5.109
104 1HB MET 13 1HB MET 13 -2.053 13.805 7.587
105 2HB MET 13 2HB MET 13 -2.629 15.316 6.897
106 1HG MET 13 1HG MET 13 -4.645 15.109 7.826
107 2HG MET 13 2HG MET 13 -4.759 13.395 7.429
108 1HE MET 13 1HE MET 13 -3.391 11.557 10.431
109 2HE MET 13 2HE MET 13 -2.510 11.856 8.933
110 3HE MET 13 3HE MET 13 -4.238 11.507 8.885
111 H ARG 14 H ARG 14 -0.957 12.040 5.433
112 HA ARG 14 HA ARG 14 0.712 13.973 3.994
113 1HB ARG 14 1HB ARG 14 1.426 11.362 5.350
114 2HB ARG 14 2HB ARG 14 2.571 12.406 4.522
115 1HG ARG 14 1HG ARG 14 2.894 13.039 6.695
116 2HG ARG 14 2HG ARG 14 1.681 14.215 6.186
117 1HD ARG 14 1HD ARG 14 0.475 13.554 7.942
118 2HD ARG 14 2HD ARG 14 0.187 12.052 7.060
119 HE ARG 14 HE ARG 14 1.603 10.970 8.496
120 1HH1 ARG 14 1HH1 ARG 14 2.039 14.421 8.897
121 2HH1 ARG 14 2HH1 ARG 14 3.050 14.255 10.292
122 1HH2 ARG 14 1HH2 ARG 14 2.935 10.758 10.336
123 2HH2 ARG 14 2HH2 ARG 14 3.561 12.176 11.109
124 H SER 15 H SER 15 1.910 13.292 2.121
125 HA SER 15 HA SER 15 0.382 11.446 0.460
126 1HB SER 15 1HB SER 15 0.879 12.791 -1.215
127 2HB SER 15 2HB SER 15 1.606 13.890 -0.047
128 HG SER 15 HG SER 15 3.284 13.528 -1.317
129 H ASP 16 H ASP 16 3.714 11.944 1.565
130 HA ASP 16 HA ASP 16 4.776 9.640 0.281
131 1HB ASP 16 1HB ASP 16 6.609 9.996 2.167
132 2HB ASP 16 2HB ASP 16 6.491 11.082 0.790
133 H HIS 17 H HIS 17 3.767 10.262 3.642
134 HA HIS 17 HA HIS 17 4.372 7.706 4.643
135 1HB HIS 17 1HB HIS 17 2.473 9.862 5.533
136 2HB HIS 17 2HB HIS 17 2.554 8.321 6.374
137 HD1 HIS 17 HD1 HIS 17 3.375 9.754 8.447
138 HD2 HIS 17 HD2 HIS 17 5.972 9.643 5.204
139 HE1 HIS 17 HE1 HIS 17 5.574 10.586 9.319
140 HE2 HIS 17 HE2 HIS 17 7.114 10.585 7.327
141 H LEU 18 H LEU 18 1.457 8.987 3.095
142 HA LEU 18 HA LEU 18 -0.258 6.828 3.560
143 1HB LEU 18 1HB LEU 18 -0.874 9.050 2.606
144 2HB LEU 18 2HB LEU 18 -0.163 8.554 1.091
145 HG LEU 18 HG LEU 18 -2.327 6.902 2.323
146 1HD1 LEU 18 1HD1 LEU 18 -2.565 9.580 1.095
147 2HD1 LEU 18 2HD1 LEU 18 -3.549 8.816 2.341
148 3HD1 LEU 18 3HD1 LEU 18 -3.764 8.365 0.650
149 1HD2 LEU 18 1HD2 LEU 18 -1.899 5.743 0.481
150 2HD2 LEU 18 2HD2 LEU 18 -0.893 7.031 -0.185
151 3HD2 LEU 18 3HD2 LEU 18 -2.642 7.073 -0.413
152 H THR 19 H THR 19 2.003 7.452 0.883
153 HA THR 19 HA THR 19 1.390 5.135 -0.565
154 HB THR 19 HB THR 19 4.061 6.559 -0.518
155 HG1 THR 19 HG1 THR 19 2.899 8.179 -1.185
156 1HG2 THR 19 1HG2 THR 19 4.131 5.912 -2.911
157 2HG2 THR 19 2HG2 THR 19 2.709 4.904 -2.633
158 3HG2 THR 19 3HG2 THR 19 4.219 4.549 -1.795
159 H LEU 20 H LEU 20 3.534 5.723 2.155
160 HA LEU 20 HA LEU 20 5.074 3.382 2.068
161 1HB LEU 20 1HB LEU 20 5.334 5.414 3.598
162 2HB LEU 20 2HB LEU 20 4.096 4.689 4.603
163 HG LEU 20 HG LEU 20 5.612 2.640 4.738
164 1HD1 LEU 20 1HD1 LEU 20 8.003 3.072 4.369
165 2HD1 LEU 20 2HD1 LEU 20 7.599 4.638 3.665
166 3HD1 LEU 20 3HD1 LEU 20 7.073 3.153 2.872
167 1HD2 LEU 20 1HD2 LEU 20 6.553 5.240 5.941
168 2HD2 LEU 20 2HD2 LEU 20 6.961 3.626 6.522
169 3HD2 LEU 20 3HD2 LEU 20 5.294 4.192 6.591
170 H HIS 21 H HIS 21 1.816 4.013 3.206
171 HA HIS 21 HA HIS 21 1.352 1.583 4.558
172 1HB HIS 21 1HB HIS 21 -0.576 2.632 5.014
173 2HB HIS 21 2HB HIS 21 -0.083 3.955 3.998
174 HD1 HIS 21 HD1 HIS 21 -2.091 4.570 2.647
175 HD2 HIS 21 HD2 HIS 21 -1.572 0.468 2.872
176 HE1 HIS 21 HE1 HIS 21 -3.964 3.531 1.311
177 H ILE 22 H ILE 22 0.663 2.646 1.276
178 HA ILE 22 HA ILE 22 -0.607 0.301 0.430
179 HB ILE 22 HB ILE 22 0.882 2.113 -1.454
180 1HG1 ILE 22 1HG1 ILE 22 -1.946 2.691 -0.799
181 2HG1 ILE 22 2HG1 ILE 22 -0.785 3.129 0.433
182 1HG2 ILE 22 1HG2 ILE 22 -0.570 -0.114 -1.954
183 2HG2 ILE 22 2HG2 ILE 22 -0.422 1.236 -3.078
184 3HG2 ILE 22 3HG2 ILE 22 -1.830 1.118 -2.020
185 1HD1 ILE 22 1HD1 ILE 22 0.315 4.092 -1.906
186 2HD1 ILE 22 2HD1 ILE 22 -0.528 5.019 -0.665
187 3HD1 ILE 22 3HD1 ILE 22 -1.412 4.410 -2.062
188 H LEU 23 H LEU 23 2.593 0.536 1.312
189 HA LEU 23 HA LEU 23 3.838 -1.038 -0.689
190 1HB LEU 23 1HB LEU 23 4.575 0.137 1.823
191 2HB LEU 23 2HB LEU 23 5.097 -1.534 1.793
192 HG LEU 23 HG LEU 23 6.116 -0.931 -0.519
193 1HD1 LEU 23 1HD1 LEU 23 5.914 1.810 0.720
194 2HD1 LEU 23 2HD1 LEU 23 5.021 1.257 -0.697
195 3HD1 LEU 23 3HD1 LEU 23 6.778 1.387 -0.759
196 1HD2 LEU 23 1HD2 LEU 23 7.350 0.232 1.973
197 2HD2 LEU 23 2HD2 LEU 23 8.189 -0.328 0.526
198 3HD2 LEU 23 3HD2 LEU 23 7.354 -1.483 1.565
199 H LEU 24 H LEU 24 2.011 -1.793 2.250
200 HA LEU 24 HA LEU 24 2.641 -4.568 2.274
201 1HB LEU 24 1HB LEU 24 0.334 -4.652 3.561
202 2HB LEU 24 2HB LEU 24 1.815 -4.102 4.309
203 HG LEU 24 HG LEU 24 1.072 -1.746 3.769
204 1HD1 LEU 24 1HD1 LEU 24 -1.421 -1.502 3.525
205 2HD1 LEU 24 2HD1 LEU 24 -1.477 -3.220 3.129
206 3HD1 LEU 24 3HD1 LEU 24 -0.588 -2.106 2.092
207 1HD2 LEU 24 1HD2 LEU 24 0.802 -3.183 5.939
208 2HD2 LEU 24 2HD2 LEU 24 -0.913 -3.024 5.564
209 3HD2 LEU 24 3HD2 LEU 24 0.073 -1.583 5.809
210 H HIS 25 H HIS 25 0.329 -2.685 0.479
211 HA HIS 25 HA HIS 25 -1.568 -4.603 -0.187
212 1HB HIS 25 1HB HIS 25 -0.553 -2.126 -1.483
213 2HB HIS 25 2HB HIS 25 -1.485 -3.227 -2.487
214 HD1 HIS 25 HD1 HIS 25 -3.845 -4.013 -0.986
215 HD2 HIS 25 HD2 HIS 25 -2.150 -0.260 -0.452
216 HE1 HIS 25 HE1 HIS 25 -5.657 -2.547 -0.005
217 H GLU 26 H GLU 26 1.582 -3.940 -1.669
218 HA GLU 26 HA GLU 26 1.291 -5.968 -3.681
219 1HB GLU 26 1HB GLU 26 2.687 -4.078 -4.181
220 2HB GLU 26 2HB GLU 26 3.657 -4.341 -2.740
221 1HG GLU 26 1HG GLU 26 3.535 -6.529 -4.738
222 2HG GLU 26 2HG GLU 26 4.461 -5.087 -5.148
223 H ASN 27 H ASN 27 3.401 -5.645 -0.811
224 HA ASN 27 HA ASN 27 3.917 -8.521 -0.888
225 1HB ASN 27 1HB ASN 27 5.695 -6.633 -0.517
226 2HB ASN 27 2HB ASN 27 5.114 -6.670 1.146
227 1HD2 ASN 27 1HD2 ASN 27 5.442 -8.530 2.395
228 2HD2 ASN 27 2HD2 ASN 27 6.607 -9.725 1.950
229 H LYS 28 H LYS 28 2.179 -9.567 -0.062
230 HA LYS 28 HA LYS 28 1.624 -9.155 2.774
231 1HB LYS 28 1HB LYS 28 -0.038 -7.873 1.245
232 2HB LYS 28 2HB LYS 28 -0.695 -9.464 0.889
233 1HG LYS 28 1HG LYS 28 -1.985 -8.457 2.635
234 2HG LYS 28 2HG LYS 28 -1.070 -9.807 3.309
235 1HD LYS 28 1HD LYS 28 0.481 -7.402 3.493
236 2HD LYS 28 2HD LYS 28 -1.117 -7.131 4.190
237 1HE LYS 28 1HE LYS 28 -0.765 -8.576 5.899
238 2HE LYS 28 2HE LYS 28 0.211 -9.668 4.917
239 1HZ LYS 28 1HZ LYS 28 1.493 -8.553 6.668
240 2HZ LYS 28 2HZ LYS 28 1.144 -7.051 5.973
241 3HZ LYS 28 3HZ LYS 28 2.074 -8.181 5.123
242 H LYS 29 H LYS 29 1.573 -11.036 3.815
243 HA LYS 29 HA LYS 29 1.125 -13.489 2.243
244 1HB LYS 29 1HB LYS 29 2.916 -12.900 4.580
245 2HB LYS 29 2HB LYS 29 2.394 -14.547 4.252
246 1HG LYS 29 1HG LYS 29 3.636 -14.714 2.347
247 2HG LYS 29 2HG LYS 29 3.566 -12.982 2.017
248 1HD LYS 29 1HD LYS 29 5.316 -12.503 3.431
249 2HD LYS 29 2HD LYS 29 5.035 -13.928 4.434
250 1HE LYS 29 1HE LYS 29 5.894 -14.282 1.597
251 2HE LYS 29 2HE LYS 29 7.089 -13.818 2.808
252 1HZ LYS 29 1HZ LYS 29 5.354 -16.228 2.906
253 2HZ LYS 29 2HZ LYS 29 6.463 -15.776 4.101
254 3HZ LYS 29 3HZ LYS 29 7.010 -16.205 2.561
Start of MODEL 42
1 H TYR 1 H TYR 1 -6.868 13.839 6.284
2 HA TYR 1 HA TYR 1 -7.133 11.160 5.128
3 1HB TYR 1 1HB TYR 1 -9.578 11.725 4.884
4 2HB TYR 1 2HB TYR 1 -9.063 11.388 6.532
5 HD1 TYR 1 HD1 TYR 1 -10.373 13.906 4.248
6 HD2 TYR 1 HD2 TYR 1 -8.903 13.214 8.180
7 HE1 TYR 1 HE1 TYR 1 -11.330 16.050 4.978
8 HE2 TYR 1 HE2 TYR 1 -9.857 15.356 8.920
9 HH TYR 1 HH TYR 1 -12.087 16.895 7.706
10 H LYS 2 H LYS 2 -5.425 13.195 4.241
11 HA LYS 2 HA LYS 2 -6.708 14.831 2.273
12 1HB LYS 2 1HB LYS 2 -4.585 15.464 3.388
13 2HB LYS 2 2HB LYS 2 -3.778 14.137 2.563
14 1HG LYS 2 1HG LYS 2 -3.837 15.185 0.520
15 2HG LYS 2 2HG LYS 2 -5.233 16.177 0.949
16 1HD LYS 2 1HD LYS 2 -3.799 17.452 2.510
17 2HD LYS 2 2HD LYS 2 -2.413 16.500 1.974
18 1HE LYS 2 1HE LYS 2 -2.542 17.385 -0.223
19 2HE LYS 2 2HE LYS 2 -4.124 18.100 0.086
20 1HZ LYS 2 1HZ LYS 2 -1.574 18.930 1.366
21 2HZ LYS 2 2HZ LYS 2 -3.091 19.617 1.659
22 3HZ LYS 2 3HZ LYS 2 -2.378 19.764 0.133
23 H PHE 3 H PHE 3 -4.447 12.066 1.993
24 HA PHE 3 HA PHE 3 -5.203 11.724 -0.794
25 1HB PHE 3 1HB PHE 3 -2.976 10.842 0.933
26 2HB PHE 3 2HB PHE 3 -3.491 9.680 -0.271
27 HD1 PHE 3 HD1 PHE 3 -2.681 9.819 -2.431
28 HD2 PHE 3 HD2 PHE 3 -2.518 13.250 0.083
29 HE1 PHE 3 HE1 PHE 3 -1.386 11.012 -4.149
30 HE2 PHE 3 HE2 PHE 3 -1.222 14.449 -1.630
31 HZ PHE 3 HZ PHE 3 -0.656 13.330 -3.749
32 H ALA 4 H ALA 4 -5.486 9.382 -1.540
33 HA ALA 4 HA ALA 4 -6.905 7.689 0.362
34 1HB ALA 4 1HB ALA 4 -8.672 9.110 -0.498
35 2HB ALA 4 2HB ALA 4 -8.867 7.468 -1.110
36 3HB ALA 4 3HB ALA 4 -8.207 8.726 -2.155
37 H CYS 5 H CYS 5 -6.850 5.518 -0.156
38 HA CYS 5 HA CYS 5 -4.954 4.762 -2.206
39 1HB CYS 5 1HB CYS 5 -5.209 3.748 0.179
40 2HB CYS 5 2HB CYS 5 -6.498 2.799 -0.542
41 HG CYS 5 HG CYS 5 -4.833 1.336 -1.584
42 HA PRO 6 HA PRO 6 -8.074 3.765 -5.219
43 1HB PRO 6 1HB PRO 6 -6.516 2.505 -7.014
44 2HB PRO 6 2HB PRO 6 -6.425 4.251 -6.758
45 1HG PRO 6 1HG PRO 6 -4.636 2.087 -5.721
46 2HG PRO 6 2HG PRO 6 -4.206 3.678 -6.378
47 1HD PRO 6 1HD PRO 6 -4.326 3.118 -3.700
48 2HD PRO 6 2HD PRO 6 -4.584 4.738 -4.383
49 H GLU 7 H GLU 7 -6.212 1.425 -3.476
50 HA GLU 7 HA GLU 7 -7.796 -0.809 -4.515
51 1HB GLU 7 1HB GLU 7 -5.104 -0.555 -3.749
52 2HB GLU 7 2HB GLU 7 -5.855 -1.545 -2.506
53 1HG GLU 7 1HG GLU 7 -6.772 -2.973 -4.374
54 2HG GLU 7 2HG GLU 7 -5.706 -2.079 -5.456
55 H CYS 8 H CYS 8 -6.894 0.735 -1.431
56 HA CYS 8 HA CYS 8 -9.219 -0.587 -0.184
57 1HB CYS 8 1HB CYS 8 -8.051 -0.606 1.905
58 2HB CYS 8 2HB CYS 8 -6.979 -1.283 0.691
59 HG CYS 8 HG CYS 8 -5.400 0.597 0.995
60 HA PRO 9 HA PRO 9 -10.663 3.419 1.000
61 1HB PRO 9 1HB PRO 9 -12.112 2.870 3.173
62 2HB PRO 9 2HB PRO 9 -12.509 2.159 1.605
63 1HG PRO 9 1HG PRO 9 -11.195 0.920 3.968
64 2HG PRO 9 2HG PRO 9 -12.277 0.191 2.770
65 1HD PRO 9 1HD PRO 9 -9.451 0.049 2.816
66 2HD PRO 9 2HD PRO 9 -10.518 -0.472 1.501
67 H LYS 10 H LYS 10 -7.940 3.299 1.837
68 HA LYS 10 HA LYS 10 -7.960 4.292 4.585
69 1HB LYS 10 1HB LYS 10 -5.596 3.770 2.771
70 2HB LYS 10 2HB LYS 10 -5.520 4.208 4.451
71 1HG LYS 10 1HG LYS 10 -7.080 1.793 3.782
72 2HG LYS 10 2HG LYS 10 -5.325 1.700 3.628
73 1HD LYS 10 1HD LYS 10 -5.732 1.010 5.821
74 2HD LYS 10 2HD LYS 10 -5.261 2.701 5.990
75 1HE LYS 10 1HE LYS 10 -7.185 2.191 7.395
76 2HE LYS 10 2HE LYS 10 -7.616 3.346 6.137
77 1HZ LYS 10 1HZ LYS 10 -8.082 0.444 5.795
78 2HZ LYS 10 2HZ LYS 10 -8.800 1.732 4.964
79 3HZ LYS 10 3HZ LYS 10 -9.210 1.434 6.578
80 H ARG 11 H ARG 11 -6.921 6.288 5.125
81 HA ARG 11 HA ARG 11 -6.542 8.234 2.988
82 1HB ARG 11 1HB ARG 11 -8.047 9.877 4.054
83 2HB ARG 11 2HB ARG 11 -8.911 8.459 3.478
84 1HG ARG 11 1HG ARG 11 -8.674 7.596 5.892
85 2HG ARG 11 2HG ARG 11 -8.297 9.273 6.291
86 1HD ARG 11 1HD ARG 11 -10.418 9.977 5.930
87 2HD ARG 11 2HD ARG 11 -10.683 8.844 4.607
88 HE ARG 11 HE ARG 11 -11.242 8.424 7.405
89 1HH1 ARG 11 1HH1 ARG 11 -10.698 6.878 4.310
90 2HH1 ARG 11 2HH1 ARG 11 -11.522 5.422 4.755
91 1HH2 ARG 11 1HH2 ARG 11 -12.327 6.506 7.984
92 2HH2 ARG 11 2HH2 ARG 11 -12.449 5.210 6.841
93 H PHE 12 H PHE 12 -4.889 9.584 3.420
94 HA PHE 12 HA PHE 12 -4.043 9.897 6.220
95 1HB PHE 12 1HB PHE 12 -2.120 9.472 3.967
96 2HB PHE 12 2HB PHE 12 -1.748 9.509 5.672
97 HD1 PHE 12 HD1 PHE 12 -4.097 7.644 3.460
98 HD2 PHE 12 HD2 PHE 12 -1.203 7.447 6.566
99 HE1 PHE 12 HE1 PHE 12 -4.360 5.218 3.531
100 HE2 PHE 12 HE2 PHE 12 -1.465 4.997 6.645
101 HZ PHE 12 HZ PHE 12 -3.055 3.881 5.112
102 H MET 13 H MET 13 -3.169 11.844 6.782
103 HA MET 13 HA MET 13 -3.880 14.107 5.246
104 1HB MET 13 1HB MET 13 -2.159 13.758 7.695
105 2HB MET 13 2HB MET 13 -2.428 15.334 6.962
106 1HG MET 13 1HG MET 13 -4.774 15.207 7.380
107 2HG MET 13 2HG MET 13 -4.641 13.529 7.904
108 1HE MET 13 1HE MET 13 -5.052 13.506 10.974
109 2HE MET 13 2HE MET 13 -6.058 14.074 9.641
110 3HE MET 13 3HE MET 13 -5.767 15.117 11.032
111 H ARG 14 H ARG 14 -0.937 12.235 5.491
112 HA ARG 14 HA ARG 14 0.519 14.186 3.858
113 1HB ARG 14 1HB ARG 14 1.373 11.830 5.519
114 2HB ARG 14 2HB ARG 14 2.449 12.527 4.323
115 1HG ARG 14 1HG ARG 14 3.039 13.520 6.365
116 2HG ARG 14 2HG ARG 14 2.109 14.742 5.497
117 1HD ARG 14 1HD ARG 14 0.728 14.897 7.229
118 2HD ARG 14 2HD ARG 14 0.265 13.210 6.992
119 HE ARG 14 HE ARG 14 1.520 12.650 8.813
120 1HH1 ARG 14 1HH1 ARG 14 2.487 15.851 7.769
121 2HH1 ARG 14 2HH1 ARG 14 3.516 16.118 9.134
122 1HH2 ARG 14 1HH2 ARG 14 2.876 13.010 10.610
123 2HH2 ARG 14 2HH2 ARG 14 3.738 14.507 10.747
124 H SER 15 H SER 15 1.823 13.361 2.055
125 HA SER 15 HA SER 15 0.255 11.523 0.442
126 1HB SER 15 1HB SER 15 0.768 13.214 -0.935
127 2HB SER 15 2HB SER 15 2.260 13.625 -0.094
128 HG SER 15 HG SER 15 1.810 11.835 -2.179
129 H ASP 16 H ASP 16 3.595 11.833 1.623
130 HA ASP 16 HA ASP 16 4.498 9.384 0.506
131 1HB ASP 16 1HB ASP 16 5.796 11.486 1.527
132 2HB ASP 16 2HB ASP 16 5.812 10.444 2.944
133 H HIS 17 H HIS 17 3.022 10.263 3.572
134 HA HIS 17 HA HIS 17 3.568 7.895 4.990
135 1HB HIS 17 1HB HIS 17 1.464 10.020 5.220
136 2HB HIS 17 2HB HIS 17 1.367 8.567 6.202
137 HD1 HIS 17 HD1 HIS 17 1.626 10.500 8.127
138 HD2 HIS 17 HD2 HIS 17 4.995 9.589 5.873
139 HE1 HIS 17 HE1 HIS 17 3.573 11.391 9.438
140 HE2 HIS 17 HE2 HIS 17 5.592 10.923 8.006
141 H LEU 18 H LEU 18 0.606 8.851 3.206
142 HA LEU 18 HA LEU 18 -0.743 6.417 3.489
143 1HB LEU 18 1HB LEU 18 -1.764 8.509 2.678
144 2HB LEU 18 2HB LEU 18 -0.880 8.361 1.185
145 HG LEU 18 HG LEU 18 -2.743 6.183 2.055
146 1HD1 LEU 18 1HD1 LEU 18 -4.566 7.394 1.753
147 2HD1 LEU 18 2HD1 LEU 18 -3.989 7.936 0.179
148 3HD1 LEU 18 3HD1 LEU 18 -3.551 8.832 1.635
149 1HD2 LEU 18 1HD2 LEU 18 -2.955 6.347 -0.599
150 2HD2 LEU 18 2HD2 LEU 18 -1.717 5.390 0.218
151 3HD2 LEU 18 3HD2 LEU 18 -1.329 7.001 -0.398
152 H THR 19 H THR 19 1.479 7.561 0.971
153 HA THR 19 HA THR 19 1.281 5.324 -0.685
154 HB THR 19 HB THR 19 3.594 7.238 -0.305
155 HG1 THR 19 HG1 THR 19 1.392 7.189 -2.084
156 1HG2 THR 19 1HG2 THR 19 4.179 6.603 -2.655
157 2HG2 THR 19 2HG2 THR 19 3.099 5.220 -2.473
158 3HG2 THR 19 3HG2 THR 19 4.515 5.376 -1.434
159 H LEU 20 H LEU 20 3.191 5.936 2.207
160 HA LEU 20 HA LEU 20 4.956 3.731 1.958
161 1HB LEU 20 1HB LEU 20 5.169 5.703 3.543
162 2HB LEU 20 2HB LEU 20 3.957 4.927 4.543
163 HG LEU 20 HG LEU 20 6.235 3.199 3.856
164 1HD1 LEU 20 1HD1 LEU 20 6.649 5.598 5.636
165 2HD1 LEU 20 2HD1 LEU 20 7.407 5.332 4.065
166 3HD1 LEU 20 3HD1 LEU 20 7.776 4.259 5.415
167 1HD2 LEU 20 1HD2 LEU 20 4.920 3.948 6.466
168 2HD2 LEU 20 2HD2 LEU 20 6.060 2.627 6.212
169 3HD2 LEU 20 3HD2 LEU 20 4.473 2.579 5.445
170 H HIS 21 H HIS 21 1.723 4.132 3.265
171 HA HIS 21 HA HIS 21 1.412 1.673 4.557
172 1HB HIS 21 1HB HIS 21 -0.610 2.550 4.994
173 2HB HIS 21 2HB HIS 21 -0.149 3.944 4.057
174 HD1 HIS 21 HD1 HIS 21 -2.159 4.535 2.691
175 HD2 HIS 21 HD2 HIS 21 -1.443 0.464 2.695
176 HE1 HIS 21 HE1 HIS 21 -3.907 3.491 1.197
177 H ILE 22 H ILE 22 0.547 2.663 1.285
178 HA ILE 22 HA ILE 22 -0.644 0.352 0.414
179 HB ILE 22 HB ILE 22 1.031 2.039 -1.433
180 1HG1 ILE 22 1HG1 ILE 22 -1.839 2.656 -0.973
181 2HG1 ILE 22 2HG1 ILE 22 -0.719 3.194 0.258
182 1HG2 ILE 22 1HG2 ILE 22 -0.314 -0.172 -2.032
183 2HG2 ILE 22 2HG2 ILE 22 -0.266 1.209 -3.126
184 3HG2 ILE 22 3HG2 ILE 22 -1.663 0.965 -2.072
185 1HD1 ILE 22 1HD1 ILE 22 0.514 4.013 -2.015
186 2HD1 ILE 22 2HD1 ILE 22 -0.539 5.004 -1.008
187 3HD1 ILE 22 3HD1 ILE 22 -1.189 4.193 -2.431
188 H LEU 23 H LEU 23 2.662 0.658 1.206
189 HA LEU 23 HA LEU 23 3.893 -1.120 -0.546
190 1HB LEU 23 1HB LEU 23 4.356 -0.451 2.346
191 2HB LEU 23 2HB LEU 23 5.308 -1.695 1.559
192 HG LEU 23 HG LEU 23 5.134 1.131 0.524
193 1HD1 LEU 23 1HD1 LEU 23 7.326 1.486 1.565
194 2HD1 LEU 23 2HD1 LEU 23 7.206 -0.093 2.342
195 3HD1 LEU 23 3HD1 LEU 23 6.069 1.187 2.765
196 1HD2 LEU 23 1HD2 LEU 23 7.029 -1.151 -0.022
197 2HD2 LEU 23 2HD2 LEU 23 7.202 0.486 -0.654
198 3HD2 LEU 23 3HD2 LEU 23 5.819 -0.501 -1.128
199 H LEU 24 H LEU 24 1.734 -1.696 2.179
200 HA LEU 24 HA LEU 24 2.180 -4.447 2.538
201 1HB LEU 24 1HB LEU 24 -0.191 -4.477 3.424
202 2HB LEU 24 2HB LEU 24 0.933 -3.391 4.214
203 HG LEU 24 HG LEU 24 -0.201 -1.740 2.351
204 1HD1 LEU 24 1HD1 LEU 24 -2.460 -3.412 3.412
205 2HD1 LEU 24 2HD1 LEU 24 -1.806 -3.587 1.784
206 3HD1 LEU 24 3HD1 LEU 24 -2.542 -2.062 2.279
207 1HD2 LEU 24 1HD2 LEU 24 -1.196 -0.668 4.185
208 2HD2 LEU 24 2HD2 LEU 24 0.219 -1.489 4.845
209 3HD2 LEU 24 3HD2 LEU 24 -1.388 -2.181 5.071
210 H HIS 25 H HIS 25 -0.035 -2.731 0.354
211 HA HIS 25 HA HIS 25 -1.479 -4.881 -0.641
212 1HB HIS 25 1HB HIS 25 -0.615 -2.300 -1.942
213 2HB HIS 25 2HB HIS 25 -1.651 -3.463 -2.763
214 HD1 HIS 25 HD1 HIS 25 -3.895 -4.104 -1.150
215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.435 -0.639
216 HE1 HIS 25 HE1 HIS 25 -5.564 -2.605 0.017
217 H GLU 26 H GLU 26 1.675 -3.636 -1.686
218 HA GLU 26 HA GLU 26 1.994 -5.399 -3.881
219 1HB GLU 26 1HB GLU 26 3.286 -3.241 -3.370
220 2HB GLU 26 2HB GLU 26 4.259 -4.218 -2.278
221 1HG GLU 26 1HG GLU 26 5.486 -4.171 -4.249
222 2HG GLU 26 2HG GLU 26 4.673 -5.736 -4.290
223 H ASN 27 H ASN 27 3.114 -5.531 -0.509
224 HA ASN 27 HA ASN 27 3.196 -8.429 -0.649
225 1HB ASN 27 1HB ASN 27 5.523 -8.380 0.459
226 2HB ASN 27 2HB ASN 27 5.437 -8.119 -1.279
227 1HD2 ASN 27 1HD2 ASN 27 5.904 -6.097 -2.118
228 2HD2 ASN 27 2HD2 ASN 27 6.662 -4.858 -1.184
229 H LYS 28 H LYS 28 2.224 -9.174 1.111
230 HA LYS 28 HA LYS 28 2.436 -7.621 3.608
231 1HB LYS 28 1HB LYS 28 0.094 -8.323 2.108
232 2HB LYS 28 2HB LYS 28 0.042 -9.139 3.664
233 1HG LYS 28 1HG LYS 28 0.811 -6.596 4.346
234 2HG LYS 28 2HG LYS 28 -0.311 -6.326 3.013
235 1HD LYS 28 1HD LYS 28 -1.651 -6.323 4.942
236 2HD LYS 28 2HD LYS 28 -1.886 -7.920 4.229
237 1HE LYS 28 1HE LYS 28 -1.600 -8.242 6.564
238 2HE LYS 28 2HE LYS 28 -0.107 -8.767 5.788
239 1HZ LYS 28 1HZ LYS 28 0.996 -6.821 6.477
240 2HZ LYS 28 2HZ LYS 28 0.144 -7.356 7.837
241 3HZ LYS 28 3HZ LYS 28 -0.443 -6.054 6.932
242 H LYS 29 H LYS 29 1.144 -10.819 2.670
243 HA LYS 29 HA LYS 29 1.247 -12.819 3.788
244 1HB LYS 29 1HB LYS 29 3.706 -13.619 3.892
245 2HB LYS 29 2HB LYS 29 3.007 -13.235 2.327
246 1HG LYS 29 1HG LYS 29 4.091 -11.024 2.412
247 2HG LYS 29 2HG LYS 29 4.835 -11.471 3.948
248 1HD LYS 29 1HD LYS 29 5.198 -13.136 1.474
249 2HD LYS 29 2HD LYS 29 6.230 -11.745 1.816
250 1HE LYS 29 1HE LYS 29 7.500 -13.143 3.001
251 2HE LYS 29 2HE LYS 29 6.210 -13.132 4.202
252 1HZ LYS 29 1HZ LYS 29 6.839 -15.383 3.587
253 2HZ LYS 29 2HZ LYS 29 6.464 -15.074 1.967
254 3HZ LYS 29 3HZ LYS 29 5.240 -15.067 3.135
Start of MODEL 43
1 H TYR 1 H TYR 1 -6.837 15.007 5.808
2 HA TYR 1 HA TYR 1 -5.700 12.442 4.909
3 1HB TYR 1 1HB TYR 1 -8.430 13.180 6.000
4 2HB TYR 1 2HB TYR 1 -7.945 11.582 5.448
5 HD1 TYR 1 HD1 TYR 1 -8.299 13.657 8.261
6 HD2 TYR 1 HD2 TYR 1 -5.816 10.597 6.663
7 HE1 TYR 1 HE1 TYR 1 -7.504 13.127 10.526
8 HE2 TYR 1 HE2 TYR 1 -5.017 10.055 8.923
9 HH TYR 1 HH TYR 1 -6.337 10.596 11.523
10 H LYS 2 H LYS 2 -5.306 14.111 3.018
11 HA LYS 2 HA LYS 2 -7.704 14.477 1.390
12 1HB LYS 2 1HB LYS 2 -4.880 15.501 1.148
13 2HB LYS 2 2HB LYS 2 -6.071 15.710 -0.129
14 1HG LYS 2 1HG LYS 2 -6.834 16.565 2.603
15 2HG LYS 2 2HG LYS 2 -5.647 17.542 1.737
16 1HD LYS 2 1HD LYS 2 -7.157 18.254 0.197
17 2HD LYS 2 2HD LYS 2 -8.062 16.740 0.225
18 1HE LYS 2 1HE LYS 2 -9.500 18.347 1.168
19 2HE LYS 2 2HE LYS 2 -8.862 17.429 2.532
20 1HZ LYS 2 1HZ LYS 2 -7.335 19.188 3.017
21 2HZ LYS 2 2HZ LYS 2 -8.883 19.858 2.889
22 3HZ LYS 2 3HZ LYS 2 -7.777 20.040 1.623
23 H PHE 3 H PHE 3 -5.010 12.324 1.630
24 HA PHE 3 HA PHE 3 -5.189 11.493 -1.145
25 1HB PHE 3 1HB PHE 3 -3.324 11.011 1.103
26 2HB PHE 3 2HB PHE 3 -3.528 9.686 -0.021
27 HD1 PHE 3 HD1 PHE 3 -2.213 9.607 -1.909
28 HD2 PHE 3 HD2 PHE 3 -2.888 13.354 -0.005
29 HE1 PHE 3 HE1 PHE 3 -0.643 10.680 -3.471
30 HE2 PHE 3 HE2 PHE 3 -1.322 14.433 -1.563
31 HZ PHE 3 HZ PHE 3 -0.197 13.095 -3.301
32 H ALA 4 H ALA 4 -5.841 9.476 -1.853
33 HA ALA 4 HA ALA 4 -7.205 7.740 0.086
34 1HB ALA 4 1HB ALA 4 -8.919 9.136 -0.943
35 2HB ALA 4 2HB ALA 4 -9.088 7.456 -1.457
36 3HB ALA 4 3HB ALA 4 -8.373 8.644 -2.546
37 H CYS 5 H CYS 5 -6.827 5.616 -0.200
38 HA CYS 5 HA CYS 5 -4.900 4.798 -2.150
39 1HB CYS 5 1HB CYS 5 -5.148 3.897 0.220
40 2HB CYS 5 2HB CYS 5 -6.516 2.973 -0.376
41 HG CYS 5 HG CYS 5 -4.764 1.292 -0.797
42 HA PRO 6 HA PRO 6 -7.780 3.576 -5.312
43 1HB PRO 6 1HB PRO 6 -6.079 2.228 -6.911
44 2HB PRO 6 2HB PRO 6 -6.035 3.988 -6.769
45 1HG PRO 6 1HG PRO 6 -4.293 1.938 -5.460
46 2HG PRO 6 2HG PRO 6 -3.840 3.485 -6.199
47 1HD PRO 6 1HD PRO 6 -4.129 3.125 -3.506
48 2HD PRO 6 2HD PRO 6 -4.393 4.682 -4.321
49 H GLU 7 H GLU 7 -5.910 1.340 -3.406
50 HA GLU 7 HA GLU 7 -7.400 -0.974 -4.367
51 1HB GLU 7 1HB GLU 7 -4.897 -0.530 -2.838
52 2HB GLU 7 2HB GLU 7 -5.807 -1.979 -2.451
53 1HG GLU 7 1HG GLU 7 -5.612 -2.802 -4.663
54 2HG GLU 7 2HG GLU 7 -4.998 -1.258 -5.252
55 H CYS 8 H CYS 8 -6.849 0.870 -1.372
56 HA CYS 8 HA CYS 8 -9.255 -0.405 -0.236
57 1HB CYS 8 1HB CYS 8 -8.239 -0.497 1.914
58 2HB CYS 8 2HB CYS 8 -7.086 -1.180 0.784
59 HG CYS 8 HG CYS 8 -5.478 0.594 1.329
60 HA PRO 9 HA PRO 9 -10.557 3.691 0.819
61 1HB PRO 9 1HB PRO 9 -12.176 3.246 2.887
62 2HB PRO 9 2HB PRO 9 -12.493 2.513 1.310
63 1HG PRO 9 1HG PRO 9 -11.383 1.280 3.783
64 2HG PRO 9 2HG PRO 9 -12.428 0.568 2.543
65 1HD PRO 9 1HD PRO 9 -9.619 0.299 2.749
66 2HD PRO 9 2HD PRO 9 -10.632 -0.198 1.385
67 H LYS 10 H LYS 10 -7.891 3.373 1.889
68 HA LYS 10 HA LYS 10 -8.057 4.387 4.614
69 1HB LYS 10 1HB LYS 10 -5.608 3.765 2.950
70 2HB LYS 10 2HB LYS 10 -5.609 4.231 4.626
71 1HG LYS 10 1HG LYS 10 -7.256 1.886 3.959
72 2HG LYS 10 2HG LYS 10 -5.508 1.693 3.804
73 1HD LYS 10 1HD LYS 10 -6.258 3.063 6.256
74 2HD LYS 10 2HD LYS 10 -6.984 1.460 6.133
75 1HE LYS 10 1HE LYS 10 -4.063 1.927 5.606
76 2HE LYS 10 2HE LYS 10 -4.680 1.638 7.233
77 1HZ LYS 10 1HZ LYS 10 -4.901 -0.192 4.902
78 2HZ LYS 10 2HZ LYS 10 -5.632 -0.465 6.404
79 3HZ LYS 10 3HZ LYS 10 -3.946 -0.420 6.281
80 H ARG 11 H ARG 11 -6.962 6.309 5.259
81 HA ARG 11 HA ARG 11 -6.379 8.290 3.198
82 1HB ARG 11 1HB ARG 11 -7.804 9.986 4.374
83 2HB ARG 11 2HB ARG 11 -8.707 8.718 3.559
84 1HG ARG 11 1HG ARG 11 -8.764 7.560 5.850
85 2HG ARG 11 2HG ARG 11 -8.282 9.131 6.495
86 1HD ARG 11 1HD ARG 11 -10.703 8.865 6.569
87 2HD ARG 11 2HD ARG 11 -10.245 10.158 5.463
88 HE ARG 11 HE ARG 11 -11.138 8.954 3.734
89 1HH1 ARG 11 1HH1 ARG 11 -10.764 6.821 6.490
90 2HH1 ARG 11 2HH1 ARG 11 -11.622 5.514 5.747
91 1HH2 ARG 11 1HH2 ARG 11 -12.266 7.228 2.767
92 2HH2 ARG 11 2HH2 ARG 11 -12.473 5.743 3.636
93 H PHE 12 H PHE 12 -4.701 9.572 3.746
94 HA PHE 12 HA PHE 12 -3.888 9.640 6.575
95 1HB PHE 12 1HB PHE 12 -2.000 9.356 4.267
96 2HB PHE 12 2HB PHE 12 -1.576 9.315 5.959
97 HD1 PHE 12 HD1 PHE 12 -4.040 7.572 3.774
98 HD2 PHE 12 HD2 PHE 12 -0.989 7.200 6.709
99 HE1 PHE 12 HE1 PHE 12 -4.329 5.149 3.742
100 HE2 PHE 12 HE2 PHE 12 -1.276 4.750 6.682
101 HZ PHE 12 HZ PHE 12 -2.956 3.725 5.183
102 H MET 13 H MET 13 -2.879 11.497 7.302
103 HA MET 13 HA MET 13 -3.633 13.920 6.082
104 1HB MET 13 1HB MET 13 -1.635 13.346 8.273
105 2HB MET 13 2HB MET 13 -2.103 14.970 7.785
106 1HG MET 13 1HG MET 13 -4.503 14.203 8.265
107 2HG MET 13 2HG MET 13 -3.751 12.865 9.128
108 1HE MET 13 1HE MET 13 -2.072 13.027 10.720
109 2HE MET 13 2HE MET 13 -2.968 13.566 12.139
110 3HE MET 13 3HE MET 13 -1.529 14.445 11.619
111 H ARG 14 H ARG 14 -0.668 12.040 5.942
112 HA ARG 14 HA ARG 14 0.617 14.119 4.320
113 1HB ARG 14 1HB ARG 14 1.632 11.722 5.806
114 2HB ARG 14 2HB ARG 14 2.589 12.419 4.512
115 1HG ARG 14 1HG ARG 14 3.387 13.378 6.505
116 2HG ARG 14 2HG ARG 14 2.411 14.623 5.725
117 1HD ARG 14 1HD ARG 14 1.229 14.810 7.596
118 2HD ARG 14 2HD ARG 14 0.656 13.156 7.360
119 HE ARG 14 HE ARG 14 2.025 12.484 9.056
120 1HH1 ARG 14 1HH1 ARG 14 3.097 15.641 7.980
121 2HH1 ARG 14 2HH1 ARG 14 4.256 15.816 9.254
122 1HH2 ARG 14 1HH2 ARG 14 3.556 12.722 10.730
123 2HH2 ARG 14 2HH2 ARG 14 4.517 14.160 10.813
124 H SER 15 H SER 15 1.815 13.415 2.388
125 HA SER 15 HA SER 15 0.140 11.694 0.761
126 1HB SER 15 1HB SER 15 0.609 13.481 -0.514
127 2HB SER 15 2HB SER 15 2.172 13.779 0.239
128 HG SER 15 HG SER 15 2.470 13.053 -1.876
129 H ASP 16 H ASP 16 3.546 11.887 1.760
130 HA ASP 16 HA ASP 16 4.331 9.489 0.448
131 1HB ASP 16 1HB ASP 16 5.741 11.515 1.444
132 2HB ASP 16 2HB ASP 16 5.825 10.439 2.832
133 H HIS 17 H HIS 17 2.997 10.216 3.600
134 HA HIS 17 HA HIS 17 3.652 7.789 4.885
135 1HB HIS 17 1HB HIS 17 1.585 9.911 5.351
136 2HB HIS 17 2HB HIS 17 1.536 8.412 6.268
137 HD1 HIS 17 HD1 HIS 17 1.936 10.256 8.255
138 HD2 HIS 17 HD2 HIS 17 5.149 9.419 5.757
139 HE1 HIS 17 HE1 HIS 17 3.971 11.058 9.486
140 HE2 HIS 17 HE2 HIS 17 5.892 10.637 7.914
141 H LEU 18 H LEU 18 0.604 8.834 3.308
142 HA LEU 18 HA LEU 18 -0.764 6.412 3.583
143 1HB LEU 18 1HB LEU 18 -1.800 8.534 2.890
144 2HB LEU 18 2HB LEU 18 -0.986 8.434 1.355
145 HG LEU 18 HG LEU 18 -2.819 6.229 2.215
146 1HD1 LEU 18 1HD1 LEU 18 -4.198 8.038 0.516
147 2HD1 LEU 18 2HD1 LEU 18 -3.629 8.916 1.937
148 3HD1 LEU 18 3HD1 LEU 18 -4.636 7.481 2.129
149 1HD2 LEU 18 1HD2 LEU 18 -3.168 6.594 -0.427
150 2HD2 LEU 18 2HD2 LEU 18 -1.958 5.518 0.278
151 3HD2 LEU 18 3HD2 LEU 18 -1.502 7.146 -0.243
152 H THR 19 H THR 19 1.366 7.585 1.003
153 HA THR 19 HA THR 19 1.035 5.374 -0.687
154 HB THR 19 HB THR 19 3.418 7.228 -0.447
155 HG1 THR 19 HG1 THR 19 1.959 8.584 -1.130
156 1HG2 THR 19 1HG2 THR 19 4.101 5.376 -1.764
157 2HG2 THR 19 2HG2 THR 19 3.737 6.708 -2.862
158 3HG2 THR 19 3HG2 THR 19 2.588 5.384 -2.669
159 H LEU 20 H LEU 20 3.141 5.971 2.074
160 HA LEU 20 HA LEU 20 4.890 3.775 1.704
161 1HB LEU 20 1HB LEU 20 5.114 5.758 3.323
162 2HB LEU 20 2HB LEU 20 4.048 4.857 4.385
163 HG LEU 20 HG LEU 20 5.787 2.948 4.139
164 1HD1 LEU 20 1HD1 LEU 20 7.508 5.315 3.415
165 2HD1 LEU 20 2HD1 LEU 20 7.031 4.030 2.303
166 3HD1 LEU 20 3HD1 LEU 20 8.047 3.658 3.695
167 1HD2 LEU 20 1HD2 LEU 20 6.469 5.450 5.682
168 2HD2 LEU 20 2HD2 LEU 20 7.051 3.820 6.021
169 3HD2 LEU 20 3HD2 LEU 20 5.339 4.198 6.203
170 H HIS 21 H HIS 21 1.696 4.126 3.071
171 HA HIS 21 HA HIS 21 1.464 1.659 4.395
172 1HB HIS 21 1HB HIS 21 -0.513 2.564 4.939
173 2HB HIS 21 2HB HIS 21 -0.134 3.934 3.932
174 HD1 HIS 21 HD1 HIS 21 -2.260 4.448 2.720
175 HD2 HIS 21 HD2 HIS 21 -1.432 0.392 2.741
176 HE1 HIS 21 HE1 HIS 21 -4.089 3.332 1.389
177 H ILE 22 H ILE 22 0.564 2.685 1.150
178 HA ILE 22 HA ILE 22 -0.621 0.294 0.338
179 HB ILE 22 HB ILE 22 0.748 2.137 -1.605
180 1HG1 ILE 22 1HG1 ILE 22 -2.074 2.639 -0.862
181 2HG1 ILE 22 2HG1 ILE 22 -0.884 3.139 0.316
182 1HG2 ILE 22 1HG2 ILE 22 -0.618 1.233 -3.174
183 2HG2 ILE 22 2HG2 ILE 22 -1.954 1.025 -2.038
184 3HG2 ILE 22 3HG2 ILE 22 -0.622 -0.132 -2.058
185 1HD1 ILE 22 1HD1 ILE 22 0.123 4.097 -2.047
186 2HD1 ILE 22 2HD1 ILE 22 -0.771 5.015 -0.838
187 3HD1 ILE 22 3HD1 ILE 22 -1.619 4.319 -2.215
188 H LEU 23 H LEU 23 2.606 0.648 1.102
189 HA LEU 23 HA LEU 23 3.825 -0.911 -0.930
190 1HB LEU 23 1HB LEU 23 4.569 0.031 1.782
191 2HB LEU 23 2HB LEU 23 5.419 -1.381 1.188
192 HG LEU 23 HG LEU 23 5.269 0.953 -0.639
193 1HD1 LEU 23 1HD1 LEU 23 6.976 0.897 1.842
194 2HD1 LEU 23 2HD1 LEU 23 5.754 2.093 1.415
195 3HD1 LEU 23 3HD1 LEU 23 7.238 1.975 0.472
196 1HD2 LEU 23 1HD2 LEU 23 7.505 -0.930 0.104
197 2HD2 LEU 23 2HD2 LEU 23 7.488 0.212 -1.240
198 3HD2 LEU 23 3HD2 LEU 23 6.388 -1.166 -1.240
199 H LEU 24 H LEU 24 2.156 -1.694 2.093
200 HA LEU 24 HA LEU 24 2.895 -4.449 2.108
201 1HB LEU 24 1HB LEU 24 0.710 -4.588 3.583
202 2HB LEU 24 2HB LEU 24 2.224 -3.968 4.198
203 HG LEU 24 HG LEU 24 1.347 -1.652 3.676
204 1HD1 LEU 24 1HD1 LEU 24 -1.166 -1.510 3.637
205 2HD1 LEU 24 2HD1 LEU 24 -1.184 -3.237 3.274
206 3HD1 LEU 24 3HD1 LEU 24 -0.428 -2.107 2.151
207 1HD2 LEU 24 1HD2 LEU 24 1.312 -3.055 5.888
208 2HD2 LEU 24 2HD2 LEU 24 -0.433 -2.955 5.655
209 3HD2 LEU 24 3HD2 LEU 24 0.524 -1.480 5.790
210 H HIS 25 H HIS 25 0.418 -2.671 0.445
211 HA HIS 25 HA HIS 25 -1.506 -4.605 -0.018
212 1HB HIS 25 1HB HIS 25 -0.592 -2.180 -1.457
213 2HB HIS 25 2HB HIS 25 -1.549 -3.322 -2.388
214 HD1 HIS 25 HD1 HIS 25 -3.850 -4.084 -0.794
215 HD2 HIS 25 HD2 HIS 25 -2.152 -0.314 -0.387
216 HE1 HIS 25 HE1 HIS 25 -5.634 -2.605 0.226
217 H GLU 26 H GLU 26 1.533 -4.057 -1.773
218 HA GLU 26 HA GLU 26 1.004 -6.235 -3.599
219 1HB GLU 26 1HB GLU 26 3.579 -4.695 -3.239
220 2HB GLU 26 2HB GLU 26 3.115 -5.677 -4.620
221 1HG GLU 26 1HG GLU 26 2.057 -3.002 -3.784
222 2HG GLU 26 2HG GLU 26 2.804 -3.468 -5.310
223 H ASN 27 H ASN 27 3.464 -5.586 -1.078
224 HA ASN 27 HA ASN 27 3.487 -8.425 -0.427
225 1HB ASN 27 1HB ASN 27 5.346 -7.628 -2.205
226 2HB ASN 27 2HB ASN 27 6.194 -7.243 -0.711
227 1HD2 ASN 27 1HD2 ASN 27 6.822 -8.896 0.665
228 2HD2 ASN 27 2HD2 ASN 27 6.815 -10.555 0.181
229 H LYS 28 H LYS 28 4.373 -8.909 1.626
230 HA LYS 28 HA LYS 28 3.907 -6.965 3.612
231 1HB LYS 28 1HB LYS 28 4.882 -9.751 3.529
232 2HB LYS 28 2HB LYS 28 5.416 -8.816 4.919
233 1HG LYS 28 1HG LYS 28 2.891 -8.186 5.109
234 2HG LYS 28 2HG LYS 28 2.662 -9.644 4.138
235 1HD LYS 28 1HD LYS 28 4.334 -9.651 6.634
236 2HD LYS 28 2HD LYS 28 2.585 -9.883 6.688
237 1HE LYS 28 1HE LYS 28 2.763 -11.823 5.254
238 2HE LYS 28 2HE LYS 28 4.494 -11.557 5.057
239 1HZ LYS 28 1HZ LYS 28 3.116 -12.236 7.600
240 2HZ LYS 28 2HZ LYS 28 4.774 -11.948 7.435
241 3HZ LYS 28 3HZ LYS 28 4.069 -13.284 6.675
242 H LYS 29 H LYS 29 5.415 -6.089 5.169
243 HA LYS 29 HA LYS 29 7.672 -4.882 3.942
244 1HB LYS 29 1HB LYS 29 6.280 -3.880 5.783
245 2HB LYS 29 2HB LYS 29 7.057 -4.998 6.896
246 1HG LYS 29 1HG LYS 29 9.253 -4.009 6.220
247 2HG LYS 29 2HG LYS 29 8.351 -2.787 5.322
248 1HD LYS 29 1HD LYS 29 7.403 -1.894 7.279
249 2HD LYS 29 2HD LYS 29 7.844 -3.309 8.237
250 1HE LYS 29 1HE LYS 29 10.231 -2.715 7.913
251 2HE LYS 29 2HE LYS 29 9.718 -1.245 7.086
252 1HZ LYS 29 1HZ LYS 29 10.236 -0.818 9.404
253 2HZ LYS 29 2HZ LYS 29 9.088 -1.955 9.902
254 3HZ LYS 29 3HZ LYS 29 8.592 -0.546 9.110
Start of MODEL 44
1 H TYR 1 H TYR 1 -5.762 13.174 5.670
2 HA TYR 1 HA TYR 1 -7.017 11.400 5.039
3 1HB TYR 1 1HB TYR 1 -9.430 11.287 5.315
4 2HB TYR 1 2HB TYR 1 -8.684 11.703 6.852
5 HD1 TYR 1 HD1 TYR 1 -11.089 12.657 4.370
6 HD2 TYR 1 HD2 TYR 1 -8.727 14.144 7.583
7 HE1 TYR 1 HE1 TYR 1 -12.569 14.611 4.548
8 HE2 TYR 1 HE2 TYR 1 -10.201 16.101 7.768
9 HH TYR 1 HH TYR 1 -12.011 17.249 5.655
10 H LYS 2 H LYS 2 -6.073 13.883 3.762
11 HA LYS 2 HA LYS 2 -7.991 14.707 1.819
12 1HB LYS 2 1HB LYS 2 -5.910 15.976 2.654
13 2HB LYS 2 2HB LYS 2 -5.012 14.990 1.509
14 1HG LYS 2 1HG LYS 2 -7.380 16.316 0.395
15 2HG LYS 2 2HG LYS 2 -6.104 17.403 0.948
16 1HD LYS 2 1HD LYS 2 -4.556 16.562 -0.563
17 2HD LYS 2 2HD LYS 2 -5.430 15.043 -0.765
18 1HE LYS 2 1HE LYS 2 -6.771 17.563 -1.601
19 2HE LYS 2 2HE LYS 2 -5.474 16.934 -2.615
20 1HZ LYS 2 1HZ LYS 2 -7.675 16.135 -3.288
21 2HZ LYS 2 2HZ LYS 2 -7.874 15.393 -1.781
22 3HZ LYS 2 3HZ LYS 2 -6.658 14.862 -2.830
23 H PHE 3 H PHE 3 -5.252 12.441 1.769
24 HA PHE 3 HA PHE 3 -5.823 11.704 -0.982
25 1HB PHE 3 1HB PHE 3 -3.610 11.254 0.941
26 2HB PHE 3 2HB PHE 3 -3.886 9.999 -0.250
27 HD1 PHE 3 HD1 PHE 3 -3.465 10.384 -2.594
28 HD2 PHE 3 HD2 PHE 3 -2.892 13.475 0.276
29 HE1 PHE 3 HE1 PHE 3 -2.211 11.694 -4.258
30 HE2 PHE 3 HE2 PHE 3 -1.639 14.789 -1.383
31 HZ PHE 3 HZ PHE 3 -1.297 13.899 -3.654
32 H ALA 4 H ALA 4 -5.769 9.288 -1.480
33 HA ALA 4 HA ALA 4 -6.881 7.539 0.533
34 1HB ALA 4 1HB ALA 4 -8.882 8.729 -0.175
35 2HB ALA 4 2HB ALA 4 -8.942 7.046 -0.699
36 3HB ALA 4 3HB ALA 4 -8.549 8.317 -1.857
37 H CYS 5 H CYS 5 -6.849 5.335 -0.065
38 HA CYS 5 HA CYS 5 -4.906 4.705 -2.100
39 1HB CYS 5 1HB CYS 5 -5.172 3.561 0.193
40 2HB CYS 5 2HB CYS 5 -6.503 2.685 -0.543
41 HG CYS 5 HG CYS 5 -3.914 1.614 -0.659
42 HA PRO 6 HA PRO 6 -7.835 3.847 -5.329
43 1HB PRO 6 1HB PRO 6 -6.226 2.458 -7.000
44 2HB PRO 6 2HB PRO 6 -6.082 4.206 -6.778
45 1HG PRO 6 1HG PRO 6 -4.459 2.002 -5.567
46 2HG PRO 6 2HG PRO 6 -3.918 3.550 -6.239
47 1HD PRO 6 1HD PRO 6 -4.206 3.110 -3.571
48 2HD PRO 6 2HD PRO 6 -4.425 4.706 -4.319
49 H GLU 7 H GLU 7 -6.221 1.383 -3.493
50 HA GLU 7 HA GLU 7 -7.950 -0.709 -4.604
51 1HB GLU 7 1HB GLU 7 -5.490 -1.113 -4.489
52 2HB GLU 7 2HB GLU 7 -5.589 -1.000 -2.738
53 1HG GLU 7 1HG GLU 7 -7.527 -2.880 -3.642
54 2HG GLU 7 2HG GLU 7 -5.973 -3.263 -4.380
55 H CYS 8 H CYS 8 -6.860 0.578 -1.448
56 HA CYS 8 HA CYS 8 -9.268 -0.605 -0.232
57 1HB CYS 8 1HB CYS 8 -8.119 -0.585 1.876
58 2HB CYS 8 2HB CYS 8 -7.064 -1.324 0.683
59 HG CYS 8 HG CYS 8 -6.587 1.641 1.427
60 HA PRO 9 HA PRO 9 -10.702 3.427 0.863
61 1HB PRO 9 1HB PRO 9 -12.234 2.907 2.981
62 2HB PRO 9 2HB PRO 9 -12.571 2.171 1.411
63 1HG PRO 9 1HG PRO 9 -11.335 0.972 3.838
64 2HG PRO 9 2HG PRO 9 -12.390 0.225 2.627
65 1HD PRO 9 1HD PRO 9 -9.568 0.067 2.746
66 2HD PRO 9 2HD PRO 9 -10.604 -0.462 1.408
67 H LYS 10 H LYS 10 -8.008 3.288 1.795
68 HA LYS 10 HA LYS 10 -8.083 4.238 4.550
69 1HB LYS 10 1HB LYS 10 -5.732 3.764 2.705
70 2HB LYS 10 2HB LYS 10 -5.610 4.302 4.356
71 1HG LYS 10 1HG LYS 10 -6.992 1.743 3.659
72 2HG LYS 10 2HG LYS 10 -5.245 1.828 3.889
73 1HD LYS 10 1HD LYS 10 -7.157 2.878 5.954
74 2HD LYS 10 2HD LYS 10 -6.694 1.176 5.904
75 1HE LYS 10 1HE LYS 10 -4.925 1.731 7.136
76 2HE LYS 10 2HE LYS 10 -4.288 2.542 5.706
77 1HZ LYS 10 1HZ LYS 10 -5.896 3.767 7.880
78 2HZ LYS 10 2HZ LYS 10 -5.477 4.567 6.450
79 3HZ LYS 10 3HZ LYS 10 -4.269 4.065 7.523
80 H ARG 11 H ARG 11 -6.968 6.232 5.130
81 HA ARG 11 HA ARG 11 -6.728 8.262 3.059
82 1HB ARG 11 1HB ARG 11 -8.169 9.831 4.506
83 2HB ARG 11 2HB ARG 11 -8.993 8.653 3.497
84 1HG ARG 11 1HG ARG 11 -10.158 8.311 5.399
85 2HG ARG 11 2HG ARG 11 -8.818 7.216 5.741
86 1HD ARG 11 1HD ARG 11 -7.988 9.763 6.586
87 2HD ARG 11 2HD ARG 11 -9.648 9.579 7.148
88 HE ARG 11 HE ARG 11 -8.610 7.271 7.938
89 1HH1 ARG 11 1HH1 ARG 11 -7.300 10.511 8.209
90 2HH1 ARG 11 2HH1 ARG 11 -6.414 10.161 9.655
91 1HH2 ARG 11 1HH2 ARG 11 -7.438 6.820 9.840
92 2HH2 ARG 11 2HH2 ARG 11 -6.492 8.067 10.580
93 H PHE 12 H PHE 12 -5.108 9.666 3.493
94 HA PHE 12 HA PHE 12 -4.173 9.892 6.271
95 1HB PHE 12 1HB PHE 12 -2.293 9.530 3.969
96 2HB PHE 12 2HB PHE 12 -1.893 9.523 5.671
97 HD1 PHE 12 HD1 PHE 12 -4.224 7.693 3.396
98 HD2 PHE 12 HD2 PHE 12 -1.358 7.455 6.531
99 HE1 PHE 12 HE1 PHE 12 -4.439 5.260 3.395
100 HE2 PHE 12 HE2 PHE 12 -1.575 5.002 6.536
101 HZ PHE 12 HZ PHE 12 -3.118 3.903 4.952
102 H MET 13 H MET 13 -2.945 11.754 6.760
103 HA MET 13 HA MET 13 -3.714 14.075 5.223
104 1HB MET 13 1HB MET 13 -2.241 13.671 7.817
105 2HB MET 13 2HB MET 13 -2.334 15.254 7.058
106 1HG MET 13 1HG MET 13 -4.807 13.666 7.618
107 2HG MET 13 2HG MET 13 -4.044 14.641 8.873
108 1HE MET 13 1HE MET 13 -3.544 17.074 8.699
109 2HE MET 13 2HE MET 13 -5.207 17.064 9.288
110 3HE MET 13 3HE MET 13 -4.724 18.197 8.025
111 H ARG 14 H ARG 14 -0.911 12.056 5.580
112 HA ARG 14 HA ARG 14 0.792 13.988 4.180
113 1HB ARG 14 1HB ARG 14 1.467 11.362 5.523
114 2HB ARG 14 2HB ARG 14 2.632 12.412 4.729
115 1HG ARG 14 1HG ARG 14 2.941 13.162 6.828
116 2HG ARG 14 2HG ARG 14 1.551 14.174 6.431
117 1HD ARG 14 1HD ARG 14 0.538 13.302 8.215
118 2HD ARG 14 2HD ARG 14 0.435 11.788 7.312
119 HE ARG 14 HE ARG 14 2.078 10.913 8.644
120 1HH1 ARG 14 1HH1 ARG 14 1.981 14.380 9.127
121 2HH1 ARG 14 2HH1 ARG 14 3.070 14.346 10.472
122 1HH2 ARG 14 1HH2 ARG 14 3.512 10.877 10.418
123 2HH2 ARG 14 2HH2 ARG 14 3.939 12.359 11.204
124 H SER 15 H SER 15 2.044 13.297 2.337
125 HA SER 15 HA SER 15 0.524 11.494 0.620
126 1HB SER 15 1HB SER 15 1.132 12.780 -1.079
127 2HB SER 15 2HB SER 15 1.661 13.936 0.138
128 HG SER 15 HG SER 15 3.143 12.384 -1.582
129 H ASP 16 H ASP 16 3.848 11.925 1.805
130 HA ASP 16 HA ASP 16 4.901 9.656 0.484
131 1HB ASP 16 1HB ASP 16 5.931 11.120 2.885
132 2HB ASP 16 2HB ASP 16 6.849 9.985 1.918
133 H HIS 17 H HIS 17 3.932 10.212 3.868
134 HA HIS 17 HA HIS 17 4.478 7.616 4.794
135 1HB HIS 17 1HB HIS 17 2.769 9.871 5.753
136 2HB HIS 17 2HB HIS 17 2.543 8.284 6.476
137 HD1 HIS 17 HD1 HIS 17 3.423 9.268 8.724
138 HD2 HIS 17 HD2 HIS 17 6.190 9.272 5.626
139 HE1 HIS 17 HE1 HIS 17 5.637 9.722 9.803
140 HE2 HIS 17 HE2 HIS 17 7.316 9.610 7.929
141 H LEU 18 H LEU 18 1.561 9.023 3.352
142 HA LEU 18 HA LEU 18 -0.180 6.873 3.746
143 1HB LEU 18 1HB LEU 18 -0.844 9.107 2.965
144 2HB LEU 18 2HB LEU 18 -0.075 8.801 1.430
145 HG LEU 18 HG LEU 18 -2.256 7.007 2.412
146 1HD1 LEU 18 1HD1 LEU 18 -3.350 9.049 2.587
147 2HD1 LEU 18 2HD1 LEU 18 -3.743 8.505 0.958
148 3HD1 LEU 18 3HD1 LEU 18 -2.494 9.729 1.207
149 1HD2 LEU 18 1HD2 LEU 18 -0.728 7.376 -0.028
150 2HD2 LEU 18 2HD2 LEU 18 -2.470 7.370 -0.303
151 3HD2 LEU 18 3HD2 LEU 18 -1.699 6.005 0.510
152 H THR 19 H THR 19 2.005 7.608 1.031
153 HA THR 19 HA THR 19 1.312 5.395 -0.525
154 HB THR 19 HB THR 19 3.969 6.846 -0.420
155 HG1 THR 19 HG1 THR 19 1.602 7.312 -1.902
156 1HG2 THR 19 1HG2 THR 19 4.118 6.179 -2.824
157 2HG2 THR 19 2HG2 THR 19 2.790 5.057 -2.525
158 3HG2 THR 19 3HG2 THR 19 4.318 4.863 -1.667
159 H LEU 20 H LEU 20 3.507 5.747 2.193
160 HA LEU 20 HA LEU 20 4.958 3.354 1.916
161 1HB LEU 20 1HB LEU 20 5.399 5.269 3.525
162 2HB LEU 20 2HB LEU 20 4.125 4.610 4.531
163 HG LEU 20 HG LEU 20 5.455 2.459 4.621
164 1HD1 LEU 20 1HD1 LEU 20 7.587 4.235 3.443
165 2HD1 LEU 20 2HD1 LEU 20 6.864 2.817 2.681
166 3HD1 LEU 20 3HD1 LEU 20 7.852 2.632 4.129
167 1HD2 LEU 20 1HD2 LEU 20 6.718 4.950 5.759
168 2HD2 LEU 20 2HD2 LEU 20 6.985 3.303 6.330
169 3HD2 LEU 20 3HD2 LEU 20 5.390 4.040 6.476
170 H HIS 21 H HIS 21 1.790 4.071 3.263
171 HA HIS 21 HA HIS 21 1.242 1.638 4.524
172 1HB HIS 21 1HB HIS 21 -0.688 2.691 4.983
173 2HB HIS 21 2HB HIS 21 -0.097 4.055 4.078
174 HD1 HIS 21 HD1 HIS 21 -1.922 4.875 2.597
175 HD2 HIS 21 HD2 HIS 21 -1.843 0.742 2.800
176 HE1 HIS 21 HE1 HIS 21 -3.815 4.045 1.147
177 H ILE 22 H ILE 22 0.483 2.776 1.280
178 HA ILE 22 HA ILE 22 -0.890 0.555 0.343
179 HB ILE 22 HB ILE 22 0.794 2.331 -1.416
180 1HG1 ILE 22 1HG1 ILE 22 -2.049 2.986 -0.856
181 2HG1 ILE 22 2HG1 ILE 22 -0.895 3.383 0.396
182 1HG2 ILE 22 1HG2 ILE 22 -0.606 1.733 -3.147
183 2HG2 ILE 22 2HG2 ILE 22 -1.924 1.286 -2.064
184 3HG2 ILE 22 3HG2 ILE 22 -0.522 0.227 -2.233
185 1HD1 ILE 22 1HD1 ILE 22 -1.454 4.702 -2.093
186 2HD1 ILE 22 2HD1 ILE 22 0.261 4.326 -1.928
187 3HD1 ILE 22 3HD1 ILE 22 -0.560 5.268 -0.684
188 H LEU 23 H LEU 23 2.518 0.887 0.840
189 HA LEU 23 HA LEU 23 3.466 -0.959 -1.057
190 1HB LEU 23 1HB LEU 23 4.499 0.397 1.289
191 2HB LEU 23 2HB LEU 23 5.111 -1.241 1.175
192 HG LEU 23 HG LEU 23 5.246 0.628 -1.173
193 1HD1 LEU 23 1HD1 LEU 23 7.508 1.235 -0.483
194 2HD1 LEU 23 2HD1 LEU 23 7.289 0.351 1.027
195 3HD1 LEU 23 3HD1 LEU 23 6.311 1.780 0.692
196 1HD2 LEU 23 1HD2 LEU 23 6.887 -1.765 -0.345
197 2HD2 LEU 23 2HD2 LEU 23 7.104 -0.817 -1.816
198 3HD2 LEU 23 3HD2 LEU 23 5.628 -1.751 -1.580
199 H LEU 24 H LEU 24 1.734 -1.424 1.927
200 HA LEU 24 HA LEU 24 2.533 -4.100 2.423
201 1HB LEU 24 1HB LEU 24 1.103 -4.054 4.195
202 2HB LEU 24 2HB LEU 24 1.370 -2.344 3.960
203 HG LEU 24 HG LEU 24 -0.899 -2.456 4.351
204 1HD1 LEU 24 1HD1 LEU 24 -0.138 -1.836 1.728
205 2HD1 LEU 24 2HD1 LEU 24 -1.568 -1.292 2.601
206 3HD1 LEU 24 3HD1 LEU 24 -1.639 -2.748 1.610
207 1HD2 LEU 24 1HD2 LEU 24 -0.712 -5.095 3.893
208 2HD2 LEU 24 2HD2 LEU 24 -1.613 -4.597 2.461
209 3HD2 LEU 24 3HD2 LEU 24 -2.243 -4.237 4.069
210 H HIS 25 H HIS 25 0.409 -2.761 0.083
211 HA HIS 25 HA HIS 25 -1.313 -5.031 -0.201
212 1HB HIS 25 1HB HIS 25 -0.757 -2.691 -2.038
213 2HB HIS 25 2HB HIS 25 -1.979 -3.921 -2.349
214 HD1 HIS 25 HD1 HIS 25 -3.519 -4.150 0.179
215 HD2 HIS 25 HD2 HIS 25 -2.015 -0.513 -1.147
216 HE1 HIS 25 HE1 HIS 25 -4.895 -2.354 1.310
217 H GLU 26 H GLU 26 1.736 -4.001 -1.611
218 HA GLU 26 HA GLU 26 1.868 -5.672 -3.833
219 1HB GLU 26 1HB GLU 26 3.576 -3.886 -2.586
220 2HB GLU 26 2HB GLU 26 4.418 -5.420 -2.424
221 1HG GLU 26 1HG GLU 26 4.143 -5.742 -4.883
222 2HG GLU 26 2HG GLU 26 3.505 -4.101 -4.966
223 H ASN 27 H ASN 27 3.002 -6.302 -0.508
224 HA ASN 27 HA ASN 27 3.253 -9.150 -1.183
225 1HB ASN 27 1HB ASN 27 5.214 -7.931 -0.157
226 2HB ASN 27 2HB ASN 27 4.255 -7.761 1.309
227 1HD2 ASN 27 1HD2 ASN 27 5.685 -10.101 -0.900
228 2HD2 ASN 27 2HD2 ASN 27 5.822 -11.378 0.255
229 H LYS 28 H LYS 28 1.335 -10.123 -0.900
230 HA LYS 28 HA LYS 28 -0.064 -9.688 1.659
231 1HB LYS 28 1HB LYS 28 -1.041 -9.592 -1.077
232 2HB LYS 28 2HB LYS 28 -1.936 -10.754 -0.109
233 1HG LYS 28 1HG LYS 28 -1.447 -7.988 0.917
234 2HG LYS 28 2HG LYS 28 -2.752 -8.309 -0.227
235 1HD LYS 28 1HD LYS 28 -2.500 -10.041 2.187
236 2HD LYS 28 2HD LYS 28 -3.161 -8.416 2.374
237 1HE LYS 28 1HE LYS 28 -5.086 -9.571 1.959
238 2HE LYS 28 2HE LYS 28 -4.631 -9.148 0.310
239 1HZ LYS 28 1HZ LYS 28 -5.290 -11.556 0.825
240 2HZ LYS 28 2HZ LYS 28 -3.749 -11.699 1.506
241 3HZ LYS 28 3HZ LYS 28 -3.917 -11.293 -0.128
242 H LYS 29 H LYS 29 -1.167 -11.519 2.562
243 HA LYS 29 HA LYS 29 0.351 -13.920 2.398
244 1HB LYS 29 1HB LYS 29 -1.199 -14.805 4.057
245 2HB LYS 29 2HB LYS 29 -0.697 -13.178 4.491
246 1HG LYS 29 1HG LYS 29 -2.879 -12.841 4.844
247 2HG LYS 29 2HG LYS 29 -2.962 -12.662 3.091
248 1HD LYS 29 1HD LYS 29 -3.148 -15.359 3.348
249 2HD LYS 29 2HD LYS 29 -3.951 -14.823 4.825
250 1HE LYS 29 1HE LYS 29 -5.563 -13.594 3.622
251 2HE LYS 29 2HE LYS 29 -4.634 -13.687 2.127
252 1HZ LYS 29 1HZ LYS 29 -6.502 -15.201 2.076
253 2HZ LYS 29 2HZ LYS 29 -5.971 -15.965 3.488
254 3HZ LYS 29 3HZ LYS 29 -5.053 -16.075 2.071
Start of MODEL 45
1 H TYR 1 H TYR 1 -7.180 14.467 6.632
2 HA TYR 1 HA TYR 1 -6.153 11.947 5.500
3 1HB TYR 1 1HB TYR 1 -8.789 12.599 6.844
4 2HB TYR 1 2HB TYR 1 -8.298 11.027 6.227
5 HD1 TYR 1 HD1 TYR 1 -8.659 12.889 9.121
6 HD2 TYR 1 HD2 TYR 1 -5.916 10.232 7.248
7 HE1 TYR 1 HE1 TYR 1 -7.700 12.340 11.318
8 HE2 TYR 1 HE2 TYR 1 -4.951 9.673 9.438
9 HH TYR 1 HH TYR 1 -6.278 10.010 12.176
10 H LYS 2 H LYS 2 -6.012 13.962 3.779
11 HA LYS 2 HA LYS 2 -8.555 14.209 2.363
12 1HB LYS 2 1HB LYS 2 -6.068 15.760 2.498
13 2HB LYS 2 2HB LYS 2 -6.719 15.606 0.873
14 1HG LYS 2 1HG LYS 2 -8.283 16.599 3.247
15 2HG LYS 2 2HG LYS 2 -7.477 17.635 2.067
16 1HD LYS 2 1HD LYS 2 -8.876 16.201 0.355
17 2HD LYS 2 2HD LYS 2 -9.903 15.929 1.763
18 1HE LYS 2 1HE LYS 2 -9.890 18.458 2.060
19 2HE LYS 2 2HE LYS 2 -9.202 18.535 0.438
20 1HZ LYS 2 1HZ LYS 2 -11.824 17.359 1.189
21 2HZ LYS 2 2HZ LYS 2 -11.157 17.301 -0.364
22 3HZ LYS 2 3HZ LYS 2 -11.571 18.790 0.323
23 H PHE 3 H PHE 3 -5.691 12.317 2.219
24 HA PHE 3 HA PHE 3 -5.891 11.807 -0.623
25 1HB PHE 3 1HB PHE 3 -4.057 10.738 1.527
26 2HB PHE 3 2HB PHE 3 -3.982 10.267 -0.151
27 HD1 PHE 3 HD1 PHE 3 -3.601 12.127 -1.890
28 HD2 PHE 3 HD2 PHE 3 -2.880 12.592 2.279
29 HE1 PHE 3 HE1 PHE 3 -2.122 14.036 -2.361
30 HE2 PHE 3 HE2 PHE 3 -1.403 14.502 1.815
31 HZ PHE 3 HZ PHE 3 -1.022 15.227 -0.509
32 H ALA 4 H ALA 4 -5.950 9.541 -1.406
33 HA ALA 4 HA ALA 4 -7.322 7.642 0.334
34 1HB ALA 4 1HB ALA 4 -8.494 8.559 -2.290
35 2HB ALA 4 2HB ALA 4 -9.137 8.911 -0.685
36 3HB ALA 4 3HB ALA 4 -9.116 7.252 -1.283
37 H CYS 5 H CYS 5 -7.066 5.496 -0.256
38 HA CYS 5 HA CYS 5 -4.882 4.973 -2.086
39 1HB CYS 5 1HB CYS 5 -5.178 3.875 0.198
40 2HB CYS 5 2HB CYS 5 -6.458 2.924 -0.533
41 HG CYS 5 HG CYS 5 -4.620 1.382 -1.045
42 HA PRO 6 HA PRO 6 -7.487 3.841 -5.501
43 1HB PRO 6 1HB PRO 6 -5.687 2.449 -6.973
44 2HB PRO 6 2HB PRO 6 -5.650 4.211 -6.833
45 1HG PRO 6 1HG PRO 6 -4.020 2.161 -5.382
46 2HG PRO 6 2HG PRO 6 -3.504 3.700 -6.096
47 1HD PRO 6 1HD PRO 6 -3.971 3.391 -3.441
48 2HD PRO 6 2HD PRO 6 -4.238 4.927 -4.292
49 H GLU 7 H GLU 7 -5.872 1.491 -3.491
50 HA GLU 7 HA GLU 7 -7.430 -0.703 -4.634
51 1HB GLU 7 1HB GLU 7 -4.957 -0.510 -2.972
52 2HB GLU 7 2HB GLU 7 -5.930 -1.965 -2.869
53 1HG GLU 7 1HG GLU 7 -4.330 -2.457 -4.482
54 2HG GLU 7 2HG GLU 7 -5.770 -2.047 -5.413
55 H CYS 8 H CYS 8 -6.718 0.825 -1.486
56 HA CYS 8 HA CYS 8 -9.174 -0.415 -0.419
57 1HB CYS 8 1HB CYS 8 -8.173 -0.415 1.760
58 2HB CYS 8 2HB CYS 8 -7.032 -1.143 0.641
59 HG CYS 8 HG CYS 8 -5.417 0.670 1.075
60 HA PRO 9 HA PRO 9 -10.624 3.638 0.609
61 1HB PRO 9 1HB PRO 9 -12.255 3.141 2.663
62 2HB PRO 9 2HB PRO 9 -12.543 2.426 1.074
63 1HG PRO 9 1HG PRO 9 -11.453 1.178 3.543
64 2HG PRO 9 2HG PRO 9 -12.451 0.463 2.266
65 1HD PRO 9 1HD PRO 9 -9.640 0.262 2.544
66 2HD PRO 9 2HD PRO 9 -10.607 -0.253 1.152
67 H LYS 10 H LYS 10 -7.961 3.253 1.781
68 HA LYS 10 HA LYS 10 -8.157 4.265 4.488
69 1HB LYS 10 1HB LYS 10 -5.731 3.730 2.763
70 2HB LYS 10 2HB LYS 10 -5.670 4.266 4.416
71 1HG LYS 10 1HG LYS 10 -7.213 1.807 3.830
72 2HG LYS 10 2HG LYS 10 -5.452 1.725 3.780
73 1HD LYS 10 1HD LYS 10 -5.866 1.208 5.987
74 2HD LYS 10 2HD LYS 10 -5.620 2.952 6.083
75 1HE LYS 10 1HE LYS 10 -8.378 2.330 5.510
76 2HE LYS 10 2HE LYS 10 -7.838 1.497 6.966
77 1HZ LYS 10 1HZ LYS 10 -7.140 3.584 7.899
78 2HZ LYS 10 2HZ LYS 10 -8.756 3.711 7.417
79 3HZ LYS 10 3HZ LYS 10 -7.538 4.411 6.478
80 H ARG 11 H ARG 11 -7.055 6.214 5.158
81 HA ARG 11 HA ARG 11 -6.684 8.271 3.119
82 1HB ARG 11 1HB ARG 11 -8.044 9.701 5.034
83 2HB ARG 11 2HB ARG 11 -8.713 9.155 3.507
84 1HG ARG 11 1HG ARG 11 -10.287 8.501 5.085
85 2HG ARG 11 2HG ARG 11 -9.375 7.025 4.763
86 1HD ARG 11 1HD ARG 11 -7.931 7.787 6.783
87 2HD ARG 11 2HD ARG 11 -9.316 8.805 7.170
88 HE ARG 11 HE ARG 11 -9.139 5.934 7.396
89 1HH1 ARG 11 1HH1 ARG 11 -11.299 8.686 7.198
90 2HH1 ARG 11 2HH1 ARG 11 -12.623 7.852 7.938
91 1HH2 ARG 11 1HH2 ARG 11 -10.888 4.844 8.368
92 2HH2 ARG 11 2HH2 ARG 11 -12.391 5.673 8.601
93 H PHE 12 H PHE 12 -5.067 9.682 3.601
94 HA PHE 12 HA PHE 12 -4.052 9.711 6.361
95 1HB PHE 12 1HB PHE 12 -2.298 9.444 3.945
96 2HB PHE 12 2HB PHE 12 -1.774 9.429 5.614
97 HD1 PHE 12 HD1 PHE 12 -4.233 7.608 3.475
98 HD2 PHE 12 HD2 PHE 12 -1.203 7.358 6.452
99 HE1 PHE 12 HE1 PHE 12 -4.452 5.174 3.479
100 HE2 PHE 12 HE2 PHE 12 -1.424 4.904 6.461
101 HZ PHE 12 HZ PHE 12 -3.054 3.812 4.958
102 H MET 13 H MET 13 -2.654 11.502 6.878
103 HA MET 13 HA MET 13 -3.572 13.961 5.706
104 1HB MET 13 1HB MET 13 -1.468 13.475 7.825
105 2HB MET 13 2HB MET 13 -2.141 15.042 7.398
106 1HG MET 13 1HG MET 13 -4.163 13.062 8.096
107 2HG MET 13 2HG MET 13 -3.027 13.405 9.399
108 1HE MET 13 1HE MET 13 -4.940 15.377 11.160
109 2HE MET 13 2HE MET 13 -5.134 13.760 10.484
110 3HE MET 13 3HE MET 13 -6.329 15.008 10.139
111 H ARG 14 H ARG 14 -0.604 12.060 5.664
112 HA ARG 14 HA ARG 14 0.692 14.046 3.939
113 1HB ARG 14 1HB ARG 14 1.735 11.648 5.441
114 2HB ARG 14 2HB ARG 14 2.704 12.507 4.257
115 1HG ARG 14 1HG ARG 14 3.395 13.730 5.987
116 2HG ARG 14 2HG ARG 14 1.836 14.544 5.851
117 1HD ARG 14 1HD ARG 14 1.232 13.804 7.855
118 2HD ARG 14 2HD ARG 14 1.509 12.133 7.355
119 HE ARG 14 HE ARG 14 3.996 13.193 7.922
120 1HH1 ARG 14 1HH1 ARG 14 1.021 12.615 9.675
121 2HH1 ARG 14 2HH1 ARG 14 1.819 12.392 11.196
122 1HH2 ARG 14 1HH2 ARG 14 5.039 12.893 9.926
123 2HH2 ARG 14 2HH2 ARG 14 4.098 12.550 11.339
124 H SER 15 H SER 15 1.779 13.344 2.005
125 HA SER 15 HA SER 15 0.222 11.365 0.543
126 1HB SER 15 1HB SER 15 0.561 12.662 -1.212
127 2HB SER 15 2HB SER 15 1.363 13.817 -0.153
128 HG SER 15 HG SER 15 2.430 12.072 -2.009
129 H ASP 16 H ASP 16 3.591 12.030 1.410
130 HA ASP 16 HA ASP 16 4.704 9.737 0.180
131 1HB ASP 16 1HB ASP 16 6.545 10.188 2.044
132 2HB ASP 16 2HB ASP 16 6.375 11.247 0.654
133 H HIS 17 H HIS 17 3.735 10.392 3.539
134 HA HIS 17 HA HIS 17 4.419 7.875 4.589
135 1HB HIS 17 1HB HIS 17 2.487 10.011 5.457
136 2HB HIS 17 2HB HIS 17 2.632 8.499 6.340
137 HD1 HIS 17 HD1 HIS 17 3.427 10.117 8.321
138 HD2 HIS 17 HD2 HIS 17 6.014 9.785 5.083
139 HE1 HIS 17 HE1 HIS 17 5.630 11.008 9.127
140 HE2 HIS 17 HE2 HIS 17 7.163 10.870 7.134
141 H LEU 18 H LEU 18 1.413 9.073 3.130
142 HA LEU 18 HA LEU 18 -0.203 6.852 3.659
143 1HB LEU 18 1HB LEU 18 -0.992 9.019 2.794
144 2HB LEU 18 2HB LEU 18 -0.253 8.670 1.256
145 HG LEU 18 HG LEU 18 -2.305 6.810 2.379
146 1HD1 LEU 18 1HD1 LEU 18 -3.998 8.117 1.110
147 2HD1 LEU 18 2HD1 LEU 18 -2.789 9.389 0.929
148 3HD1 LEU 18 3HD1 LEU 18 -3.364 8.945 2.532
149 1HD2 LEU 18 1HD2 LEU 18 -1.833 5.783 0.472
150 2HD2 LEU 18 2HD2 LEU 18 -0.864 7.145 -0.099
151 3HD2 LEU 18 3HD2 LEU 18 -2.610 7.138 -0.353
152 H THR 19 H THR 19 1.945 7.574 0.920
153 HA THR 19 HA THR 19 1.340 5.301 -0.581
154 HB THR 19 HB THR 19 3.964 6.808 -0.484
155 HG1 THR 19 HG1 THR 19 2.712 8.331 -1.218
156 1HG2 THR 19 1HG2 THR 19 4.129 6.117 -2.878
157 2HG2 THR 19 2HG2 THR 19 2.808 4.987 -2.577
158 3HG2 THR 19 3HG2 THR 19 4.334 4.812 -1.710
159 H LEU 20 H LEU 20 3.524 5.797 2.131
160 HA LEU 20 HA LEU 20 5.066 3.469 1.956
161 1HB LEU 20 1HB LEU 20 5.472 5.327 3.544
162 2HB LEU 20 2HB LEU 20 4.053 4.853 4.450
163 HG LEU 20 HG LEU 20 6.287 4.155 5.404
164 1HD1 LEU 20 1HD1 LEU 20 5.303 2.437 6.478
165 2HD1 LEU 20 2HD1 LEU 20 4.780 1.657 4.986
166 3HD1 LEU 20 3HD1 LEU 20 3.872 3.024 5.631
167 1HD2 LEU 20 1HD2 LEU 20 7.502 2.381 4.472
168 2HD2 LEU 20 2HD2 LEU 20 7.155 3.448 3.111
169 3HD2 LEU 20 3HD2 LEU 20 6.210 1.976 3.340
170 H HIS 21 H HIS 21 1.878 4.054 3.350
171 HA HIS 21 HA HIS 21 1.385 1.587 4.534
172 1HB HIS 21 1HB HIS 21 -0.561 2.598 4.994
173 2HB HIS 21 2HB HIS 21 -0.051 3.960 4.038
174 HD1 HIS 21 HD1 HIS 21 -2.006 4.630 2.639
175 HD2 HIS 21 HD2 HIS 21 -1.565 0.515 2.807
176 HE1 HIS 21 HE1 HIS 21 -3.862 3.649 1.238
177 H ILE 22 H ILE 22 0.683 2.687 1.262
178 HA ILE 22 HA ILE 22 -0.620 0.384 0.388
179 HB ILE 22 HB ILE 22 0.934 2.188 -1.453
180 1HG1 ILE 22 1HG1 ILE 22 -1.910 2.757 -0.826
181 2HG1 ILE 22 2HG1 ILE 22 -0.748 3.207 0.401
182 1HG2 ILE 22 1HG2 ILE 22 -0.565 -0.025 -1.991
183 2HG2 ILE 22 2HG2 ILE 22 -0.294 1.303 -3.119
184 3HG2 ILE 22 3HG2 ILE 22 -1.763 1.262 -2.139
185 1HD1 ILE 22 1HD1 ILE 22 -1.369 4.447 -2.129
186 2HD1 ILE 22 2HD1 ILE 22 0.360 4.177 -1.913
187 3HD1 ILE 22 3HD1 ILE 22 -0.548 5.099 -0.715
188 H LEU 23 H LEU 23 2.597 0.507 1.269
189 HA LEU 23 HA LEU 23 3.753 -1.121 -0.752
190 1HB LEU 23 1HB LEU 23 4.555 -0.043 1.834
191 2HB LEU 23 2HB LEU 23 5.162 -1.664 1.575
192 HG LEU 23 HG LEU 23 5.581 -0.007 -0.766
193 1HD1 LEU 23 1HD1 LEU 23 5.647 1.781 0.940
194 2HD1 LEU 23 2HD1 LEU 23 7.201 1.520 0.149
195 3HD1 LEU 23 3HD1 LEU 23 6.923 0.898 1.776
196 1HD2 LEU 23 1HD2 LEU 23 7.829 -0.859 -0.569
197 2HD2 LEU 23 2HD2 LEU 23 6.681 -2.164 -0.265
198 3HD2 LEU 23 3HD2 LEU 23 7.518 -1.393 1.083
199 H LEU 24 H LEU 24 1.990 -1.796 2.251
200 HA LEU 24 HA LEU 24 2.569 -4.573 2.321
201 1HB LEU 24 1HB LEU 24 0.274 -4.602 3.632
202 2HB LEU 24 2HB LEU 24 1.769 -4.050 4.351
203 HG LEU 24 HG LEU 24 1.052 -1.703 3.775
204 1HD1 LEU 24 1HD1 LEU 24 -1.408 -1.395 3.482
205 2HD1 LEU 24 2HD1 LEU 24 -1.539 -3.130 3.190
206 3HD1 LEU 24 3HD1 LEU 24 -0.607 -2.119 2.088
207 1HD2 LEU 24 1HD2 LEU 24 0.742 -3.112 5.965
208 2HD2 LEU 24 2HD2 LEU 24 -0.967 -2.905 5.581
209 3HD2 LEU 24 3HD2 LEU 24 0.064 -1.491 5.811
210 H HIS 25 H HIS 25 0.329 -2.731 0.416
211 HA HIS 25 HA HIS 25 -1.634 -4.615 -0.147
212 1HB HIS 25 1HB HIS 25 -0.510 -2.279 -1.613
213 2HB HIS 25 2HB HIS 25 -1.499 -3.408 -2.530
214 HD1 HIS 25 HD1 HIS 25 -3.924 -3.936 -1.112
215 HD2 HIS 25 HD2 HIS 25 -1.976 -0.308 -0.570
216 HE1 HIS 25 HE1 HIS 25 -5.648 -2.333 -0.188
217 H GLU 26 H GLU 26 1.538 -4.160 -1.680
218 HA GLU 26 HA GLU 26 1.195 -6.323 -3.530
219 1HB GLU 26 1HB GLU 26 3.569 -4.673 -2.677
220 2HB GLU 26 2HB GLU 26 3.731 -6.022 -3.793
221 1HG GLU 26 1HG GLU 26 1.603 -4.241 -4.594
222 2HG GLU 26 2HG GLU 26 3.135 -3.386 -4.420
223 H ASN 27 H ASN 27 3.007 -5.878 -0.500
224 HA ASN 27 HA ASN 27 2.941 -8.782 -0.100
225 1HB ASN 27 1HB ASN 27 5.340 -7.073 -0.350
226 2HB ASN 27 2HB ASN 27 5.350 -8.190 1.010
227 1HD2 ASN 27 1HD2 ASN 27 5.294 -10.422 0.613
228 2HD2 ASN 27 2HD2 ASN 27 5.708 -11.074 -0.932
229 H LYS 28 H LYS 28 1.512 -8.807 1.550
230 HA LYS 28 HA LYS 28 1.426 -6.852 3.615
231 1HB LYS 28 1HB LYS 28 -0.347 -8.666 2.717
232 2HB LYS 28 2HB LYS 28 0.261 -9.534 4.119
233 1HG LYS 28 1HG LYS 28 -0.397 -6.745 4.670
234 2HG LYS 28 2HG LYS 28 -1.772 -7.711 4.130
235 1HD LYS 28 1HD LYS 28 -1.565 -9.212 5.920
236 2HD LYS 28 2HD LYS 28 0.079 -8.684 6.286
237 1HE LYS 28 1HE LYS 28 -1.157 -7.679 7.967
238 2HE LYS 28 2HE LYS 28 -1.021 -6.392 6.770
239 1HZ LYS 28 1HZ LYS 28 -3.362 -8.196 7.087
240 2HZ LYS 28 2HZ LYS 28 -3.232 -6.922 5.981
241 3HZ LYS 28 3HZ LYS 28 -3.275 -6.600 7.640
242 H LYS 29 H LYS 29 1.836 -7.169 5.878
243 HA LYS 29 HA LYS 29 4.369 -8.294 6.413
244 1HB LYS 29 1HB LYS 29 3.924 -7.722 8.764
245 2HB LYS 29 2HB LYS 29 3.533 -6.392 7.683
246 1HG LYS 29 1HG LYS 29 1.148 -7.777 7.919
247 2HG LYS 29 2HG LYS 29 1.844 -7.839 9.538
248 1HD LYS 29 1HD LYS 29 1.855 -5.243 8.076
249 2HD LYS 29 2HD LYS 29 0.337 -5.816 8.772
250 1HE LYS 29 1HE LYS 29 2.853 -5.737 10.401
251 2HE LYS 29 2HE LYS 29 1.861 -4.294 10.194
252 1HZ LYS 29 1HZ LYS 29 0.982 -6.882 11.360
253 2HZ LYS 29 2HZ LYS 29 -0.030 -5.554 11.087
254 3HZ LYS 29 3HZ LYS 29 1.237 -5.435 12.199
Start of MODEL 46
1 H TYR 1 H TYR 1 -8.575 14.399 5.342
2 HA TYR 1 HA TYR 1 -7.873 11.660 4.551
3 1HB TYR 1 1HB TYR 1 -10.375 11.570 3.928
4 2HB TYR 1 2HB TYR 1 -9.949 11.358 5.620
5 HD1 TYR 1 HD1 TYR 1 -10.646 12.938 7.280
6 HD2 TYR 1 HD2 TYR 1 -11.403 13.692 3.162
7 HE1 TYR 1 HE1 TYR 1 -12.176 14.761 7.900
8 HE2 TYR 1 HE2 TYR 1 -12.931 15.518 3.770
9 HH TYR 1 HH TYR 1 -13.013 17.094 6.283
10 H LYS 2 H LYS 2 -6.530 13.654 3.414
11 HA LYS 2 HA LYS 2 -7.934 14.806 1.180
12 1HB LYS 2 1HB LYS 2 -5.392 15.172 2.479
13 2HB LYS 2 2HB LYS 2 -5.153 14.999 0.745
14 1HG LYS 2 1HG LYS 2 -7.286 16.733 0.914
15 2HG LYS 2 2HG LYS 2 -6.259 17.212 2.266
16 1HD LYS 2 1HD LYS 2 -5.049 16.737 -0.427
17 2HD LYS 2 2HD LYS 2 -5.881 18.258 -0.094
18 1HE LYS 2 1HE LYS 2 -4.417 18.568 1.883
19 2HE LYS 2 2HE LYS 2 -3.541 17.109 1.423
20 1HZ LYS 2 1HZ LYS 2 -2.406 19.089 0.652
21 2HZ LYS 2 2HZ LYS 2 -3.775 19.580 -0.211
22 3HZ LYS 2 3HZ LYS 2 -2.946 18.177 -0.667
23 H PHE 3 H PHE 3 -5.458 12.275 1.588
24 HA PHE 3 HA PHE 3 -5.724 11.542 -1.224
25 1HB PHE 3 1HB PHE 3 -3.705 11.130 0.893
26 2HB PHE 3 2HB PHE 3 -3.923 9.789 -0.215
27 HD1 PHE 3 HD1 PHE 3 -3.588 10.155 -2.666
28 HD2 PHE 3 HD2 PHE 3 -2.573 13.091 0.244
29 HE1 PHE 3 HE1 PHE 3 -2.159 11.293 -4.315
30 HE2 PHE 3 HE2 PHE 3 -1.145 14.233 -1.400
31 HZ PHE 3 HZ PHE 3 -0.936 13.335 -3.683
32 H ALA 4 H ALA 4 -5.711 9.130 -1.691
33 HA ALA 4 HA ALA 4 -7.072 7.448 0.231
34 1HB ALA 4 1HB ALA 4 -8.958 8.648 -0.693
35 2HB ALA 4 2HB ALA 4 -8.985 6.975 -1.251
36 3HB ALA 4 3HB ALA 4 -8.439 8.256 -2.332
37 H CYS 5 H CYS 5 -6.897 5.253 -0.233
38 HA CYS 5 HA CYS 5 -4.868 4.569 -2.178
39 1HB CYS 5 1HB CYS 5 -5.045 3.588 0.170
40 2HB CYS 5 2HB CYS 5 -6.399 2.643 -0.432
41 HG CYS 5 HG CYS 5 -4.775 1.029 -1.256
42 HA PRO 6 HA PRO 6 -7.694 3.341 -5.373
43 1HB PRO 6 1HB PRO 6 -6.024 1.827 -6.869
44 2HB PRO 6 2HB PRO 6 -5.912 3.590 -6.808
45 1HG PRO 6 1HG PRO 6 -4.293 1.537 -5.350
46 2HG PRO 6 2HG PRO 6 -3.751 3.017 -6.161
47 1HD PRO 6 1HD PRO 6 -4.092 2.850 -3.474
48 2HD PRO 6 2HD PRO 6 -4.335 4.356 -4.383
49 H GLU 7 H GLU 7 -6.163 1.097 -3.233
50 HA GLU 7 HA GLU 7 -7.821 -1.113 -4.224
51 1HB GLU 7 1HB GLU 7 -5.168 -0.932 -2.979
52 2HB GLU 7 2HB GLU 7 -6.181 -2.204 -2.316
53 1HG GLU 7 1HG GLU 7 -5.282 -3.401 -3.989
54 2HG GLU 7 2HG GLU 7 -6.567 -2.646 -4.931
55 H CYS 8 H CYS 8 -6.918 0.604 -1.238
56 HA CYS 8 HA CYS 8 -9.336 -0.510 0.032
57 1HB CYS 8 1HB CYS 8 -8.201 -0.354 2.176
58 2HB CYS 8 2HB CYS 8 -7.245 -1.314 1.058
59 HG CYS 8 HG CYS 8 -5.473 0.462 1.007
60 HA PRO 9 HA PRO 9 -10.573 3.656 0.852
61 1HB PRO 9 1HB PRO 9 -12.194 3.345 2.949
62 2HB PRO 9 2HB PRO 9 -12.538 2.567 1.401
63 1HG PRO 9 1HG PRO 9 -11.476 1.391 3.918
64 2HG PRO 9 2HG PRO 9 -12.524 0.663 2.690
65 1HD PRO 9 1HD PRO 9 -9.722 0.338 2.947
66 2HD PRO 9 2HD PRO 9 -10.735 -0.197 1.595
67 H LYS 10 H LYS 10 -7.911 3.201 2.030
68 HA LYS 10 HA LYS 10 -8.011 4.325 4.686
69 1HB LYS 10 1HB LYS 10 -5.593 3.896 2.920
70 2HB LYS 10 2HB LYS 10 -5.579 4.254 4.623
71 1HG LYS 10 1HG LYS 10 -6.966 1.813 3.614
72 2HG LYS 10 2HG LYS 10 -5.219 1.829 3.868
73 1HD LYS 10 1HD LYS 10 -5.433 1.751 6.100
74 2HD LYS 10 2HD LYS 10 -6.745 2.932 6.107
75 1HE LYS 10 1HE LYS 10 -7.146 0.084 5.230
76 2HE LYS 10 2HE LYS 10 -7.292 0.578 6.915
77 1HZ LYS 10 1HZ LYS 10 -8.892 1.630 4.643
78 2HZ LYS 10 2HZ LYS 10 -9.014 2.158 6.245
79 3HZ LYS 10 3HZ LYS 10 -9.440 0.572 5.843
80 H ARG 11 H ARG 11 -7.043 6.324 5.288
81 HA ARG 11 HA ARG 11 -6.698 8.321 3.181
82 1HB ARG 11 1HB ARG 11 -8.153 9.919 4.477
83 2HB ARG 11 2HB ARG 11 -9.012 8.610 3.680
84 1HG ARG 11 1HG ARG 11 -8.197 8.194 6.500
85 2HG ARG 11 2HG ARG 11 -9.512 9.324 6.182
86 1HD ARG 11 1HD ARG 11 -9.568 6.658 4.857
87 2HD ARG 11 2HD ARG 11 -9.965 6.754 6.570
88 HE ARG 11 HE ARG 11 -11.413 8.690 5.082
89 1HH1 ARG 11 1HH1 ARG 11 -11.333 5.267 5.818
90 2HH1 ARG 11 2HH1 ARG 11 -13.029 5.045 5.552
91 1HH2 ARG 11 1HH2 ARG 11 -13.649 8.392 4.740
92 2HH2 ARG 11 2HH2 ARG 11 -14.343 6.818 4.941
93 H PHE 12 H PHE 12 -5.022 9.641 3.585
94 HA PHE 12 HA PHE 12 -4.106 9.921 6.368
95 1HB PHE 12 1HB PHE 12 -2.243 9.512 4.057
96 2HB PHE 12 2HB PHE 12 -1.820 9.558 5.752
97 HD1 PHE 12 HD1 PHE 12 -4.205 7.653 3.595
98 HD2 PHE 12 HD2 PHE 12 -1.230 7.518 6.634
99 HE1 PHE 12 HE1 PHE 12 -4.402 5.220 3.667
100 HE2 PHE 12 HE2 PHE 12 -1.431 5.064 6.713
101 HZ PHE 12 HZ PHE 12 -3.019 3.913 5.212
102 H MET 13 H MET 13 -2.978 11.813 6.876
103 HA MET 13 HA MET 13 -3.682 14.098 5.259
104 1HB MET 13 1HB MET 13 -2.414 13.704 7.944
105 2HB MET 13 2HB MET 13 -2.278 15.265 7.147
106 1HG MET 13 1HG MET 13 -4.740 15.357 6.992
107 2HG MET 13 2HG MET 13 -4.823 13.846 7.895
108 1HE MET 13 1HE MET 13 -5.548 15.302 11.200
109 2HE MET 13 2HE MET 13 -5.127 13.790 10.395
110 3HE MET 13 3HE MET 13 -6.371 14.836 9.712
111 H ARG 14 H ARG 14 -0.937 12.046 5.647
112 HA ARG 14 HA ARG 14 0.862 13.983 4.376
113 1HB ARG 14 1HB ARG 14 1.518 11.248 5.491
114 2HB ARG 14 2HB ARG 14 2.665 12.479 4.987
115 1HG ARG 14 1HG ARG 14 2.713 12.760 7.252
116 2HG ARG 14 2HG ARG 14 1.453 13.916 6.817
117 1HD ARG 14 1HD ARG 14 -0.160 12.734 7.847
118 2HD ARG 14 2HD ARG 14 0.488 11.187 7.298
119 HE ARG 14 HE ARG 14 1.674 11.011 9.256
120 1HH1 ARG 14 1HH1 ARG 14 0.378 14.256 9.006
121 2HH1 ARG 14 2HH1 ARG 14 0.790 14.675 10.634
122 1HH2 ARG 14 1HH2 ARG 14 2.212 11.571 11.397
123 2HH2 ARG 14 2HH2 ARG 14 1.831 13.152 11.991
124 H SER 15 H SER 15 2.158 13.311 2.542
125 HA SER 15 HA SER 15 0.622 11.617 0.727
126 1HB SER 15 1HB SER 15 1.044 13.392 -0.542
127 2HB SER 15 2HB SER 15 2.431 13.903 0.417
128 HG SER 15 HG SER 15 2.312 12.279 -1.832
129 H ASP 16 H ASP 16 3.986 11.986 1.852
130 HA ASP 16 HA ASP 16 4.919 9.651 0.519
131 1HB ASP 16 1HB ASP 16 6.997 9.996 1.683
132 2HB ASP 16 2HB ASP 16 6.378 11.564 1.186
133 H HIS 17 H HIS 17 3.815 10.278 3.832
134 HA HIS 17 HA HIS 17 4.483 7.720 4.860
135 1HB HIS 17 1HB HIS 17 2.491 9.802 5.763
136 2HB HIS 17 2HB HIS 17 2.769 8.300 6.633
137 HD1 HIS 17 HD1 HIS 17 3.421 10.211 8.516
138 HD2 HIS 17 HD2 HIS 17 6.096 9.581 5.402
139 HE1 HIS 17 HE1 HIS 17 5.601 11.179 9.299
140 HE2 HIS 17 HE2 HIS 17 7.233 10.689 7.443
141 H LEU 18 H LEU 18 1.525 9.050 3.416
142 HA LEU 18 HA LEU 18 -0.157 6.857 3.829
143 1HB LEU 18 1HB LEU 18 -0.858 9.087 3.027
144 2HB LEU 18 2HB LEU 18 -0.117 8.753 1.483
145 HG LEU 18 HG LEU 18 -2.254 6.954 2.552
146 1HD1 LEU 18 1HD1 LEU 18 -3.359 9.000 2.702
147 2HD1 LEU 18 2HD1 LEU 18 -3.800 8.387 1.110
148 3HD1 LEU 18 3HD1 LEU 18 -2.561 9.635 1.266
149 1HD2 LEU 18 1HD2 LEU 18 -0.811 7.344 0.041
150 2HD2 LEU 18 2HD2 LEU 18 -2.559 7.186 -0.141
151 3HD2 LEU 18 3HD2 LEU 18 -1.639 5.918 0.674
152 H THR 19 H THR 19 2.023 7.632 1.136
153 HA THR 19 HA THR 19 1.391 5.438 -0.461
154 HB THR 19 HB THR 19 4.042 6.887 -0.261
155 HG1 THR 19 HG1 THR 19 1.678 7.431 -1.708
156 1HG2 THR 19 1HG2 THR 19 4.247 6.295 -2.673
157 2HG2 THR 19 2HG2 THR 19 2.894 5.185 -2.454
158 3HG2 THR 19 3HG2 THR 19 4.394 4.934 -1.562
159 H LEU 20 H LEU 20 3.552 5.766 2.295
160 HA LEU 20 HA LEU 20 5.034 3.403 2.022
161 1HB LEU 20 1HB LEU 20 5.496 5.197 3.670
162 2HB LEU 20 2HB LEU 20 4.075 4.719 4.572
163 HG LEU 20 HG LEU 20 6.314 3.933 5.462
164 1HD1 LEU 20 1HD1 LEU 20 5.298 2.209 6.498
165 2HD1 LEU 20 2HD1 LEU 20 4.709 1.504 4.992
166 3HD1 LEU 20 3HD1 LEU 20 3.869 2.879 5.709
167 1HD2 LEU 20 1HD2 LEU 20 6.113 1.871 3.282
168 2HD2 LEU 20 2HD2 LEU 20 7.410 2.094 4.455
169 3HD2 LEU 20 3HD2 LEU 20 7.164 3.284 3.176
170 H HIS 21 H HIS 21 1.873 4.028 3.462
171 HA HIS 21 HA HIS 21 1.325 1.535 4.559
172 1HB HIS 21 1HB HIS 21 -0.600 2.561 5.077
173 2HB HIS 21 2HB HIS 21 -0.045 3.960 4.199
174 HD1 HIS 21 HD1 HIS 21 -1.969 4.776 2.832
175 HD2 HIS 21 HD2 HIS 21 -1.682 0.649 2.778
176 HE1 HIS 21 HE1 HIS 21 -3.848 3.936 1.371
177 H ILE 22 H ILE 22 0.529 2.781 1.355
178 HA ILE 22 HA ILE 22 -0.861 0.607 0.393
179 HB ILE 22 HB ILE 22 0.854 2.344 -1.374
180 1HG1 ILE 22 1HG1 ILE 22 -1.979 3.035 -0.792
181 2HG1 ILE 22 2HG1 ILE 22 -0.813 3.413 0.455
182 1HG2 ILE 22 1HG2 ILE 22 -1.890 1.314 -1.971
183 2HG2 ILE 22 2HG2 ILE 22 -0.485 0.271 -2.204
184 3HG2 ILE 22 3HG2 ILE 22 -0.610 1.790 -3.088
185 1HD1 ILE 22 1HD1 ILE 22 0.358 4.362 -1.843
186 2HD1 ILE 22 2HD1 ILE 22 -0.497 5.306 -0.625
187 3HD1 ILE 22 3HD1 ILE 22 -1.354 4.727 -2.051
188 H LEU 23 H LEU 23 2.493 0.681 1.066
189 HA LEU 23 HA LEU 23 3.474 -1.114 -0.859
190 1HB LEU 23 1HB LEU 23 4.308 -0.256 1.856
191 2HB LEU 23 2HB LEU 23 4.964 -1.776 1.283
192 HG LEU 23 HG LEU 23 5.780 -0.552 -0.763
193 1HD1 LEU 23 1HD1 LEU 23 5.977 1.878 -0.618
194 2HD1 LEU 23 2HD1 LEU 23 5.040 1.868 0.875
195 3HD1 LEU 23 3HD1 LEU 23 4.289 1.371 -0.640
196 1HD2 LEU 23 1HD2 LEU 23 6.829 0.363 1.912
197 2HD2 LEU 23 2HD2 LEU 23 7.705 0.423 0.383
198 3HD2 LEU 23 3HD2 LEU 23 7.260 -1.133 1.085
199 H LEU 24 H LEU 24 1.426 -1.580 1.923
200 HA LEU 24 HA LEU 24 1.794 -4.279 2.496
201 1HB LEU 24 1HB LEU 24 -0.879 -2.873 2.440
202 2HB LEU 24 2HB LEU 24 -0.452 -4.285 3.384
203 HG LEU 24 HG LEU 24 1.147 -1.846 3.901
204 1HD1 LEU 24 1HD1 LEU 24 -0.499 -0.696 5.119
205 2HD1 LEU 24 2HD1 LEU 24 -1.628 -2.047 5.034
206 3HD1 LEU 24 3HD1 LEU 24 -1.276 -1.101 3.588
207 1HD2 LEU 24 1HD2 LEU 24 -0.184 -3.881 5.686
208 2HD2 LEU 24 2HD2 LEU 24 0.956 -2.635 6.195
209 3HD2 LEU 24 3HD2 LEU 24 1.489 -3.938 5.132
210 H HIS 25 H HIS 25 -0.407 -2.778 0.135
211 HA HIS 25 HA HIS 25 -1.538 -5.131 -0.882
212 1HB HIS 25 1HB HIS 25 -1.082 -2.572 -2.428
213 2HB HIS 25 2HB HIS 25 -2.307 -3.796 -2.739
214 HD1 HIS 25 HD1 HIS 25 -4.206 -4.000 -0.785
215 HD2 HIS 25 HD2 HIS 25 -1.848 -0.581 -0.772
216 HE1 HIS 25 HE1 HIS 25 -5.399 -2.318 0.681
217 H GLU 26 H GLU 26 1.477 -3.497 -1.667
218 HA GLU 26 HA GLU 26 2.098 -4.708 -4.096
219 1HB GLU 26 1HB GLU 26 3.343 -2.847 -2.836
220 2HB GLU 26 2HB GLU 26 4.157 -4.144 -1.972
221 1HG GLU 26 1HG GLU 26 4.825 -5.044 -4.245
222 2HG GLU 26 2HG GLU 26 4.275 -3.502 -4.900
223 H ASN 27 H ASN 27 2.548 -5.893 -0.789
224 HA ASN 27 HA ASN 27 3.912 -8.285 -1.636
225 1HB ASN 27 1HB ASN 27 4.264 -7.142 0.593
226 2HB ASN 27 2HB ASN 27 2.677 -7.737 1.069
227 1HD2 ASN 27 1HD2 ASN 27 2.383 -9.932 1.447
228 2HD2 ASN 27 2HD2 ASN 27 3.713 -11.016 1.649
229 H LYS 28 H LYS 28 0.717 -7.600 -0.187
230 HA LYS 28 HA LYS 28 -0.182 -10.288 -0.835
231 1HB LYS 28 1HB LYS 28 -2.339 -9.489 0.250
232 2HB LYS 28 2HB LYS 28 -0.924 -9.570 1.288
233 1HG LYS 28 1HG LYS 28 -0.783 -7.299 1.514
234 2HG LYS 28 2HG LYS 28 -1.555 -6.985 -0.042
235 1HD LYS 28 1HD LYS 28 -3.467 -8.320 1.528
236 2HD LYS 28 2HD LYS 28 -2.724 -7.113 2.580
237 1HE LYS 28 1HE LYS 28 -3.223 -5.967 0.001
238 2HE LYS 28 2HE LYS 28 -4.696 -6.722 0.606
239 1HZ LYS 28 1HZ LYS 28 -3.126 -4.526 1.796
240 2HZ LYS 28 2HZ LYS 28 -4.149 -5.468 2.759
241 3HZ LYS 28 3HZ LYS 28 -4.783 -4.589 1.461
242 H LYS 29 H LYS 29 -0.372 -10.419 -3.026
243 HA LYS 29 HA LYS 29 -1.684 -8.391 -4.580
244 1HB LYS 29 1HB LYS 29 -0.380 -11.004 -5.120
245 2HB LYS 29 2HB LYS 29 -1.587 -10.470 -6.279
246 1HG LYS 29 1HG LYS 29 0.470 -9.707 -7.108
247 2HG LYS 29 2HG LYS 29 -0.312 -8.289 -6.406
248 1HD LYS 29 1HD LYS 29 1.879 -8.138 -5.628
249 2HD LYS 29 2HD LYS 29 1.020 -8.879 -4.277
250 1HE LYS 29 1HE LYS 29 1.787 -11.086 -4.998
251 2HE LYS 29 2HE LYS 29 2.635 -10.351 -6.358
252 1HZ LYS 29 1HZ LYS 29 3.971 -9.093 -4.724
253 2HZ LYS 29 2HZ LYS 29 4.184 -10.767 -4.605
254 3HZ LYS 29 3HZ LYS 29 3.222 -9.955 -3.475
Start of MODEL 47
1 H TYR 1 H TYR 1 -9.508 14.415 6.047
2 HA TYR 1 HA TYR 1 -7.435 12.520 5.191
3 1HB TYR 1 1HB TYR 1 -10.449 12.529 4.879
4 2HB TYR 1 2HB TYR 1 -9.357 11.212 4.472
5 HD1 TYR 1 HD1 TYR 1 -11.813 11.775 6.591
6 HD2 TYR 1 HD2 TYR 1 -7.630 11.024 6.817
7 HE1 TYR 1 HE1 TYR 1 -12.106 10.853 8.851
8 HE2 TYR 1 HE2 TYR 1 -7.913 10.099 9.077
9 HH TYR 1 HH TYR 1 -10.413 8.972 10.306
10 H LYS 2 H LYS 2 -6.350 13.652 3.619
11 HA LYS 2 HA LYS 2 -7.889 15.025 1.550
12 1HB LYS 2 1HB LYS 2 -5.634 15.794 2.766
13 2HB LYS 2 2HB LYS 2 -4.922 14.903 1.427
14 1HG LYS 2 1HG LYS 2 -5.054 17.134 0.713
15 2HG LYS 2 2HG LYS 2 -6.377 16.298 -0.102
16 1HD LYS 2 1HD LYS 2 -7.993 17.238 1.321
17 2HD LYS 2 2HD LYS 2 -6.783 17.743 2.501
18 1HE LYS 2 1HE LYS 2 -5.932 19.410 0.975
19 2HE LYS 2 2HE LYS 2 -7.021 18.851 -0.293
20 1HZ LYS 2 1HZ LYS 2 -7.832 20.857 0.817
21 2HZ LYS 2 2HZ LYS 2 -7.884 20.033 2.293
22 3HZ LYS 2 3HZ LYS 2 -8.898 19.559 1.024
23 H PHE 3 H PHE 3 -5.362 12.502 1.770
24 HA PHE 3 HA PHE 3 -5.812 11.782 -1.005
25 1HB PHE 3 1HB PHE 3 -3.751 11.183 1.046
26 2HB PHE 3 2HB PHE 3 -4.037 9.963 -0.179
27 HD1 PHE 3 HD1 PHE 3 -3.480 10.361 -2.496
28 HD2 PHE 3 HD2 PHE 3 -2.833 13.349 0.465
29 HE1 PHE 3 HE1 PHE 3 -2.051 11.603 -4.067
30 HE2 PHE 3 HE2 PHE 3 -1.403 14.596 -1.101
31 HZ PHE 3 HZ PHE 3 -1.012 13.724 -3.371
32 H ALA 4 H ALA 4 -5.929 9.422 -1.544
33 HA ALA 4 HA ALA 4 -7.235 7.696 0.375
34 1HB ALA 4 1HB ALA 4 -8.720 8.588 -2.097
35 2HB ALA 4 2HB ALA 4 -9.112 9.041 -0.437
36 3HB ALA 4 3HB ALA 4 -9.255 7.359 -0.949
37 H CYS 5 H CYS 5 -6.820 5.588 -0.054
38 HA CYS 5 HA CYS 5 -4.994 4.935 -2.137
39 1HB CYS 5 1HB CYS 5 -5.302 3.836 0.202
40 2HB CYS 5 2HB CYS 5 -6.531 2.868 -0.595
41 HG CYS 5 HG CYS 5 -4.788 1.543 -1.726
42 HA PRO 6 HA PRO 6 -7.927 3.922 -5.323
43 1HB PRO 6 1HB PRO 6 -6.269 2.671 -7.040
44 2HB PRO 6 2HB PRO 6 -6.202 4.417 -6.775
45 1HG PRO 6 1HG PRO 6 -4.459 2.262 -5.649
46 2HG PRO 6 2HG PRO 6 -4.004 3.855 -6.277
47 1HD PRO 6 1HD PRO 6 -4.258 3.292 -3.614
48 2HD PRO 6 2HD PRO 6 -4.502 4.911 -4.304
49 H GLU 7 H GLU 7 -6.094 1.549 -3.563
50 HA GLU 7 HA GLU 7 -7.644 -0.671 -4.664
51 1HB GLU 7 1HB GLU 7 -5.065 -0.384 -3.248
52 2HB GLU 7 2HB GLU 7 -6.002 -1.811 -2.835
53 1HG GLU 7 1HG GLU 7 -5.932 -2.628 -5.031
54 2HG GLU 7 2HG GLU 7 -5.400 -1.076 -5.678
55 H CYS 8 H CYS 8 -6.827 0.802 -1.520
56 HA CYS 8 HA CYS 8 -9.208 -0.508 -0.373
57 1HB CYS 8 1HB CYS 8 -8.111 -0.535 1.753
58 2HB CYS 8 2HB CYS 8 -6.994 -1.195 0.571
59 HG CYS 8 HG CYS 8 -5.447 0.713 0.923
60 HA PRO 9 HA PRO 9 -10.703 3.492 0.778
61 1HB PRO 9 1HB PRO 9 -12.231 2.924 2.892
62 2HB PRO 9 2HB PRO 9 -12.570 2.228 1.304
63 1HG PRO 9 1HG PRO 9 -11.352 0.965 3.704
64 2HG PRO 9 2HG PRO 9 -12.381 0.248 2.454
65 1HD PRO 9 1HD PRO 9 -9.556 0.113 2.615
66 2HD PRO 9 2HD PRO 9 -10.568 -0.405 1.258
67 H LYS 10 H LYS 10 -7.985 3.126 1.839
68 HA LYS 10 HA LYS 10 -8.083 4.102 4.561
69 1HB LYS 10 1HB LYS 10 -5.731 3.639 2.713
70 2HB LYS 10 2HB LYS 10 -5.597 4.168 4.367
71 1HG LYS 10 1HG LYS 10 -7.030 1.635 3.693
72 2HG LYS 10 2HG LYS 10 -5.273 1.682 3.857
73 1HD LYS 10 1HD LYS 10 -7.082 2.768 5.995
74 2HD LYS 10 2HD LYS 10 -6.667 1.055 5.923
75 1HE LYS 10 1HE LYS 10 -4.835 1.556 7.085
76 2HE LYS 10 2HE LYS 10 -4.234 2.363 5.637
77 1HZ LYS 10 1HZ LYS 10 -5.340 4.409 6.439
78 2HZ LYS 10 2HZ LYS 10 -4.113 3.868 7.469
79 3HZ LYS 10 3HZ LYS 10 -5.733 3.609 7.878
80 H ARG 11 H ARG 11 -6.947 6.067 5.195
81 HA ARG 11 HA ARG 11 -6.739 8.165 3.179
82 1HB ARG 11 1HB ARG 11 -8.142 9.681 4.704
83 2HB ARG 11 2HB ARG 11 -9.001 8.515 3.709
84 1HG ARG 11 1HG ARG 11 -8.763 7.024 5.880
85 2HG ARG 11 2HG ARG 11 -8.645 8.605 6.654
86 1HD ARG 11 1HD ARG 11 -10.905 8.334 6.714
87 2HD ARG 11 2HD ARG 11 -10.755 9.098 5.132
88 HE ARG 11 HE ARG 11 -10.572 6.418 4.624
89 1HH1 ARG 11 1HH1 ARG 11 -12.935 8.470 6.195
90 2HH1 ARG 11 2HH1 ARG 11 -14.275 7.459 5.770
91 1HH2 ARG 11 1HH2 ARG 11 -12.342 5.094 4.062
92 2HH2 ARG 11 2HH2 ARG 11 -13.939 5.544 4.558
93 H PHE 12 H PHE 12 -5.079 9.511 3.608
94 HA PHE 12 HA PHE 12 -4.068 9.640 6.368
95 1HB PHE 12 1HB PHE 12 -2.286 9.381 3.974
96 2HB PHE 12 2HB PHE 12 -1.803 9.332 5.654
97 HD1 PHE 12 HD1 PHE 12 -4.222 7.539 3.439
98 HD2 PHE 12 HD2 PHE 12 -1.218 7.252 6.438
99 HE1 PHE 12 HE1 PHE 12 -4.419 5.103 3.388
100 HE2 PHE 12 HE2 PHE 12 -1.416 4.798 6.393
101 HZ PHE 12 HZ PHE 12 -3.019 3.723 4.852
102 H MET 13 H MET 13 -2.882 11.504 6.921
103 HA MET 13 HA MET 13 -3.709 13.874 5.497
104 1HB MET 13 1HB MET 13 -2.068 13.460 7.998
105 2HB MET 13 2HB MET 13 -2.424 15.048 7.331
106 1HG MET 13 1HG MET 13 -4.384 15.080 8.347
107 2HG MET 13 2HG MET 13 -4.855 13.573 7.564
108 1HE MET 13 1HE MET 13 -3.151 14.106 11.786
109 2HE MET 13 2HE MET 13 -3.669 15.374 10.674
110 3HE MET 13 3HE MET 13 -2.144 14.530 10.401
111 H ARG 14 H ARG 14 -0.862 11.893 5.694
112 HA ARG 14 HA ARG 14 0.767 13.924 4.345
113 1HB ARG 14 1HB ARG 14 1.534 11.246 5.527
114 2HB ARG 14 2HB ARG 14 2.653 12.368 4.769
115 1HG ARG 14 1HG ARG 14 1.071 12.834 7.289
116 2HG ARG 14 2HG ARG 14 2.808 12.551 7.164
117 1HD ARG 14 1HD ARG 14 1.284 14.921 6.084
118 2HD ARG 14 2HD ARG 14 2.367 14.913 7.480
119 HE ARG 14 HE ARG 14 4.016 14.087 5.565
120 1HH1 ARG 14 1HH1 ARG 14 1.710 16.727 5.551
121 2HH1 ARG 14 2HH1 ARG 14 2.627 17.681 4.436
122 1HH2 ARG 14 1HH2 ARG 14 5.215 15.351 4.100
123 2HH2 ARG 14 2HH2 ARG 14 4.617 16.901 3.613
124 H SER 15 H SER 15 1.947 13.374 2.420
125 HA SER 15 HA SER 15 0.405 11.645 0.663
126 1HB SER 15 1HB SER 15 0.786 13.393 -0.646
127 2HB SER 15 2HB SER 15 2.148 13.962 0.315
128 HG SER 15 HG SER 15 3.485 12.948 -0.981
129 H ASP 16 H ASP 16 3.778 12.001 1.744
130 HA ASP 16 HA ASP 16 4.739 9.723 0.349
131 1HB ASP 16 1HB ASP 16 6.279 11.460 1.017
132 2HB ASP 16 2HB ASP 16 5.866 11.218 2.707
133 H HIS 17 H HIS 17 3.909 10.253 3.774
134 HA HIS 17 HA HIS 17 4.425 7.676 4.707
135 1HB HIS 17 1HB HIS 17 2.391 9.708 5.637
136 2HB HIS 17 2HB HIS 17 2.763 8.229 6.508
137 HD1 HIS 17 HD1 HIS 17 3.270 10.524 8.179
138 HD2 HIS 17 HD2 HIS 17 6.095 9.314 5.381
139 HE1 HIS 17 HE1 HIS 17 5.449 11.511 8.953
140 HE2 HIS 17 HE2 HIS 17 7.120 10.859 7.183
141 H LEU 18 H LEU 18 1.473 9.030 3.269
142 HA LEU 18 HA LEU 18 -0.221 6.845 3.660
143 1HB LEU 18 1HB LEU 18 -0.915 9.076 2.874
144 2HB LEU 18 2HB LEU 18 -0.168 8.756 1.329
145 HG LEU 18 HG LEU 18 -2.287 6.920 2.358
146 1HD1 LEU 18 1HD1 LEU 18 -3.850 8.409 0.961
147 2HD1 LEU 18 2HD1 LEU 18 -2.631 9.659 1.226
148 3HD1 LEU 18 3HD1 LEU 18 -3.441 8.916 2.600
149 1HD2 LEU 18 1HD2 LEU 18 -2.608 7.298 -0.333
150 2HD2 LEU 18 2HD2 LEU 18 -1.728 5.967 0.426
151 3HD2 LEU 18 3HD2 LEU 18 -0.858 7.398 -0.133
152 H THR 19 H THR 19 1.916 7.636 0.929
153 HA THR 19 HA THR 19 1.283 5.384 -0.605
154 HB THR 19 HB THR 19 3.916 6.880 -0.578
155 HG1 THR 19 HG1 THR 19 2.669 8.475 -1.149
156 1HG2 THR 19 1HG2 THR 19 2.584 5.190 -2.670
157 2HG2 THR 19 2HG2 THR 19 4.177 4.975 -1.945
158 3HG2 THR 19 3HG2 THR 19 3.877 6.334 -3.027
159 H LEU 20 H LEU 20 3.482 5.868 2.081
160 HA LEU 20 HA LEU 20 5.055 3.550 1.810
161 1HB LEU 20 1HB LEU 20 5.284 5.576 3.427
162 2HB LEU 20 2HB LEU 20 4.226 4.655 4.479
163 HG LEU 20 HG LEU 20 5.999 2.753 4.118
164 1HD1 LEU 20 1HD1 LEU 20 7.285 3.936 2.415
165 2HD1 LEU 20 2HD1 LEU 20 8.264 3.619 3.848
166 3HD1 LEU 20 3HD1 LEU 20 7.619 5.235 3.562
167 1HD2 LEU 20 1HD2 LEU 20 6.383 5.167 5.881
168 2HD2 LEU 20 2HD2 LEU 20 7.282 3.660 6.059
169 3HD2 LEU 20 3HD2 LEU 20 5.531 3.674 6.275
170 H HIS 21 H HIS 21 1.839 4.107 3.075
171 HA HIS 21 HA HIS 21 1.431 1.673 4.418
172 1HB HIS 21 1HB HIS 21 -0.525 2.673 4.871
173 2HB HIS 21 2HB HIS 21 -0.052 4.009 3.863
174 HD1 HIS 21 HD1 HIS 21 -2.059 4.595 2.493
175 HD2 HIS 21 HD2 HIS 21 -1.490 0.501 2.735
176 HE1 HIS 21 HE1 HIS 21 -3.901 3.528 1.136
177 H ILE 22 H ILE 22 0.723 2.705 1.135
178 HA ILE 22 HA ILE 22 -0.534 0.359 0.287
179 HB ILE 22 HB ILE 22 0.959 2.189 -1.581
180 1HG1 ILE 22 1HG1 ILE 22 -1.886 2.719 -0.935
181 2HG1 ILE 22 2HG1 ILE 22 -0.732 3.175 0.295
182 1HG2 ILE 22 1HG2 ILE 22 -0.494 -0.059 -2.087
183 2HG2 ILE 22 2HG2 ILE 22 -0.284 1.272 -3.224
184 3HG2 ILE 22 3HG2 ILE 22 -1.730 1.193 -2.215
185 1HD1 ILE 22 1HD1 ILE 22 0.398 4.203 -1.952
186 2HD1 ILE 22 2HD1 ILE 22 -0.623 5.085 -0.816
187 3HD1 ILE 22 3HD1 ILE 22 -1.325 4.389 -2.275
188 H LEU 23 H LEU 23 2.636 0.559 1.213
189 HA LEU 23 HA LEU 23 3.886 -1.040 -0.781
190 1HB LEU 23 1HB LEU 23 4.729 0.372 1.452
191 2HB LEU 23 2HB LEU 23 5.009 -1.302 1.879
192 HG LEU 23 HG LEU 23 6.259 -1.516 -0.327
193 1HD1 LEU 23 1HD1 LEU 23 5.385 0.499 -1.388
194 2HD1 LEU 23 2HD1 LEU 23 7.143 0.557 -1.270
195 3HD1 LEU 23 3HD1 LEU 23 6.154 1.494 -0.150
196 1HD2 LEU 23 1HD2 LEU 23 7.414 0.386 1.706
197 2HD2 LEU 23 2HD2 LEU 23 8.302 -0.683 0.620
198 3HD2 LEU 23 3HD2 LEU 23 7.315 -1.361 1.915
199 H LEU 24 H LEU 24 2.074 -1.710 2.175
200 HA LEU 24 HA LEU 24 2.730 -4.486 2.271
201 1HB LEU 24 1HB LEU 24 0.504 -4.531 3.679
202 2HB LEU 24 2HB LEU 24 2.013 -3.932 4.328
203 HG LEU 24 HG LEU 24 1.211 -1.610 3.733
204 1HD1 LEU 24 1HD1 LEU 24 -1.387 -3.095 3.348
205 2HD1 LEU 24 2HD1 LEU 24 -0.522 -2.154 2.135
206 3HD1 LEU 24 3HD1 LEU 24 -1.245 -1.346 3.524
207 1HD2 LEU 24 1HD2 LEU 24 0.319 -1.373 5.811
208 2HD2 LEU 24 2HD2 LEU 24 1.049 -2.971 5.970
209 3HD2 LEU 24 3HD2 LEU 24 -0.681 -2.819 5.667
210 H HIS 25 H HIS 25 0.472 -2.676 0.389
211 HA HIS 25 HA HIS 25 -1.542 -4.537 -0.073
212 1HB HIS 25 1HB HIS 25 -0.446 -2.213 -1.543
213 2HB HIS 25 2HB HIS 25 -1.365 -3.364 -2.507
214 HD1 HIS 25 HD1 HIS 25 -3.812 -3.992 -1.118
215 HD2 HIS 25 HD2 HIS 25 -2.022 -0.276 -0.611
216 HE1 HIS 25 HE1 HIS 25 -5.620 -2.437 -0.272
217 H GLU 26 H GLU 26 1.666 -4.277 -1.529
218 HA GLU 26 HA GLU 26 1.275 -6.266 -3.517
219 1HB GLU 26 1HB GLU 26 3.217 -4.419 -3.011
220 2HB GLU 26 2HB GLU 26 4.018 -5.897 -2.497
221 1HG GLU 26 1HG GLU 26 2.739 -5.494 -5.191
222 2HG GLU 26 2HG GLU 26 4.457 -5.285 -4.851
223 H ASN 27 H ASN 27 2.773 -6.352 -0.283
224 HA ASN 27 HA ASN 27 2.589 -9.293 -0.370
225 1HB ASN 27 1HB ASN 27 4.434 -9.083 1.484
226 2HB ASN 27 2HB ASN 27 4.878 -8.973 -0.215
227 1HD2 ASN 27 1HD2 ASN 27 5.578 -7.026 -1.049
228 2HD2 ASN 27 2HD2 ASN 27 5.970 -5.671 -0.053
229 H LYS 28 H LYS 28 0.762 -9.773 0.690
230 HA LYS 28 HA LYS 28 0.079 -8.332 3.142
231 1HB LYS 28 1HB LYS 28 -1.484 -10.352 1.523
232 2HB LYS 28 2HB LYS 28 -2.078 -9.556 2.974
233 1HG LYS 28 1HG LYS 28 -1.539 -7.371 1.659
234 2HG LYS 28 2HG LYS 28 -1.613 -8.432 0.252
235 1HD LYS 28 1HD LYS 28 -3.802 -8.313 2.313
236 2HD LYS 28 2HD LYS 28 -3.768 -7.256 0.900
237 1HE LYS 28 1HE LYS 28 -3.567 -9.380 -0.487
238 2HE LYS 28 2HE LYS 28 -3.991 -10.255 0.984
239 1HZ LYS 28 1HZ LYS 28 -5.645 -8.199 -0.380
240 2HZ LYS 28 2HZ LYS 28 -6.047 -8.941 1.086
241 3HZ LYS 28 3HZ LYS 28 -5.949 -9.863 -0.329
242 H LYS 29 H LYS 29 -0.898 -9.713 4.933
243 HA LYS 29 HA LYS 29 1.085 -11.523 5.865
244 1HB LYS 29 1HB LYS 29 -0.797 -9.995 7.085
245 2HB LYS 29 2HB LYS 29 -1.562 -11.575 7.183
246 1HG LYS 29 1HG LYS 29 1.234 -11.673 7.943
247 2HG LYS 29 2HG LYS 29 0.312 -10.534 8.925
248 1HD LYS 29 1HD LYS 29 -1.403 -12.589 8.932
249 2HD LYS 29 2HD LYS 29 0.104 -13.483 8.728
250 1HE LYS 29 1HE LYS 29 -0.024 -13.400 11.015
251 2HE LYS 29 2HE LYS 29 0.912 -11.941 10.694
252 1HZ LYS 29 1HZ LYS 29 -2.011 -12.077 11.210
253 2HZ LYS 29 2HZ LYS 29 -1.167 -10.667 10.811
254 3HZ LYS 29 3HZ LYS 29 -0.832 -11.472 12.261
Start of MODEL 48
1 H TYR 1 H TYR 1 -9.164 14.309 5.954
2 HA TYR 1 HA TYR 1 -7.524 12.021 5.101
3 1HB TYR 1 1HB TYR 1 -9.843 11.475 3.951
4 2HB TYR 1 2HB TYR 1 -9.499 10.940 5.588
5 HD1 TYR 1 HD1 TYR 1 -11.443 13.279 3.534
6 HD2 TYR 1 HD2 TYR 1 -10.663 11.902 7.483
7 HE1 TYR 1 HE1 TYR 1 -13.474 14.415 4.325
8 HE2 TYR 1 HE2 TYR 1 -12.692 13.033 8.285
9 HH TYR 1 HH TYR 1 -15.084 13.820 6.769
10 H LYS 2 H LYS 2 -6.242 13.212 3.735
11 HA LYS 2 HA LYS 2 -7.518 14.959 1.769
12 1HB LYS 2 1HB LYS 2 -5.371 15.527 3.107
13 2HB LYS 2 2HB LYS 2 -4.561 14.462 1.966
14 1HG LYS 2 1HG LYS 2 -4.277 16.574 1.049
15 2HG LYS 2 2HG LYS 2 -5.640 15.911 0.145
16 1HD LYS 2 1HD LYS 2 -6.478 17.980 0.651
17 2HD LYS 2 2HD LYS 2 -7.029 17.081 2.065
18 1HE LYS 2 1HE LYS 2 -6.091 18.887 3.101
19 2HE LYS 2 2HE LYS 2 -4.684 17.828 3.020
20 1HZ LYS 2 1HZ LYS 2 -5.328 20.016 1.115
21 2HZ LYS 2 2HZ LYS 2 -3.991 18.986 1.003
22 3HZ LYS 2 3HZ LYS 2 -4.126 20.055 2.306
23 H PHE 3 H PHE 3 -5.315 12.153 1.850
24 HA PHE 3 HA PHE 3 -5.837 11.694 -0.998
25 1HB PHE 3 1HB PHE 3 -3.603 11.143 0.826
26 2HB PHE 3 2HB PHE 3 -3.990 9.818 -0.255
27 HD1 PHE 3 HD1 PHE 3 -3.850 10.130 -2.700
28 HD2 PHE 3 HD2 PHE 3 -2.603 13.146 0.031
29 HE1 PHE 3 HE1 PHE 3 -2.599 11.240 -4.503
30 HE2 PHE 3 HE2 PHE 3 -1.351 14.263 -1.769
31 HZ PHE 3 HZ PHE 3 -1.348 13.310 -4.039
32 H ALA 4 H ALA 4 -5.823 9.271 -1.590
33 HA ALA 4 HA ALA 4 -7.131 7.534 0.329
34 1HB ALA 4 1HB ALA 4 -9.075 7.104 -1.113
35 2HB ALA 4 2HB ALA 4 -8.536 8.382 -2.201
36 3HB ALA 4 3HB ALA 4 -9.023 8.775 -0.553
37 H CYS 5 H CYS 5 -6.847 5.374 -0.124
38 HA CYS 5 HA CYS 5 -4.883 4.725 -2.124
39 1HB CYS 5 1HB CYS 5 -5.032 3.680 0.186
40 2HB CYS 5 2HB CYS 5 -6.419 2.778 -0.400
41 HG CYS 5 HG CYS 5 -3.911 1.604 -0.585
42 HA PRO 6 HA PRO 6 -7.764 3.576 -5.308
43 1HB PRO 6 1HB PRO 6 -6.092 2.217 -6.932
44 2HB PRO 6 2HB PRO 6 -6.021 3.975 -6.763
45 1HG PRO 6 1HG PRO 6 -4.310 1.877 -5.482
46 2HG PRO 6 2HG PRO 6 -3.832 3.423 -6.206
47 1HD PRO 6 1HD PRO 6 -4.112 3.053 -3.522
48 2HD PRO 6 2HD PRO 6 -4.377 4.617 -4.321
49 H GLU 7 H GLU 7 -6.081 1.293 -3.327
50 HA GLU 7 HA GLU 7 -7.643 -0.946 -4.393
51 1HB GLU 7 1HB GLU 7 -4.981 -0.717 -3.449
52 2HB GLU 7 2HB GLU 7 -5.845 -1.731 -2.302
53 1HG GLU 7 1HG GLU 7 -6.541 -2.555 -4.932
54 2HG GLU 7 2HG GLU 7 -4.786 -2.429 -4.825
55 H CYS 8 H CYS 8 -6.906 0.749 -1.351
56 HA CYS 8 HA CYS 8 -9.311 -0.494 -0.176
57 1HB CYS 8 1HB CYS 8 -8.234 -0.440 1.994
58 2HB CYS 8 2HB CYS 8 -7.217 -1.308 0.854
59 HG CYS 8 HG CYS 8 -5.483 0.486 0.987
60 HA PRO 9 HA PRO 9 -10.637 3.604 0.812
61 1HB PRO 9 1HB PRO 9 -12.256 3.187 2.892
62 2HB PRO 9 2HB PRO 9 -12.579 2.454 1.317
63 1HG PRO 9 1HG PRO 9 -11.489 1.219 3.794
64 2HG PRO 9 2HG PRO 9 -12.531 0.512 2.548
65 1HD PRO 9 1HD PRO 9 -9.729 0.220 2.778
66 2HD PRO 9 2HD PRO 9 -10.735 -0.270 1.405
67 H LYS 10 H LYS 10 -7.969 3.207 1.951
68 HA LYS 10 HA LYS 10 -8.122 4.274 4.643
69 1HB LYS 10 1HB LYS 10 -5.671 3.792 2.933
70 2HB LYS 10 2HB LYS 10 -5.685 4.173 4.630
71 1HG LYS 10 1HG LYS 10 -7.096 1.745 3.625
72 2HG LYS 10 2HG LYS 10 -5.357 1.731 3.920
73 1HD LYS 10 1HD LYS 10 -6.696 2.930 6.151
74 2HD LYS 10 2HD LYS 10 -7.441 1.373 5.786
75 1HE LYS 10 1HE LYS 10 -5.214 0.323 5.833
76 2HE LYS 10 2HE LYS 10 -4.505 1.881 6.258
77 1HZ LYS 10 1HZ LYS 10 -4.848 0.487 8.205
78 2HZ LYS 10 2HZ LYS 10 -6.505 0.398 7.882
79 3HZ LYS 10 3HZ LYS 10 -5.802 1.881 8.294
80 H ARG 11 H ARG 11 -7.102 6.261 5.262
81 HA ARG 11 HA ARG 11 -6.739 8.254 3.146
82 1HB ARG 11 1HB ARG 11 -8.120 9.875 4.539
83 2HB ARG 11 2HB ARG 11 -9.011 8.643 3.659
84 1HG ARG 11 1HG ARG 11 -8.242 8.090 6.480
85 2HG ARG 11 2HG ARG 11 -9.562 9.216 6.165
86 1HD ARG 11 1HD ARG 11 -9.845 6.873 4.524
87 2HD ARG 11 2HD ARG 11 -9.665 6.410 6.216
88 HE ARG 11 HE ARG 11 -11.558 8.528 5.834
89 1HH1 ARG 11 1HH1 ARG 11 -11.148 5.051 5.745
90 2HH1 ARG 11 2HH1 ARG 11 -12.822 4.724 6.042
91 1HH2 ARG 11 1HH2 ARG 11 -13.762 8.088 6.224
92 2HH2 ARG 11 2HH2 ARG 11 -14.305 6.446 6.312
93 H PHE 12 H PHE 12 -5.079 9.614 3.532
94 HA PHE 12 HA PHE 12 -4.072 9.838 6.286
95 1HB PHE 12 1HB PHE 12 -2.301 9.405 3.906
96 2HB PHE 12 2HB PHE 12 -1.794 9.486 5.577
97 HD1 PHE 12 HD1 PHE 12 -4.271 7.553 3.559
98 HD2 PHE 12 HD2 PHE 12 -1.203 7.458 6.504
99 HE1 PHE 12 HE1 PHE 12 -4.493 5.126 3.696
100 HE2 PHE 12 HE2 PHE 12 -1.427 5.008 6.648
101 HZ PHE 12 HZ PHE 12 -3.075 3.840 5.226
102 H MET 13 H MET 13 -2.854 11.706 6.759
103 HA MET 13 HA MET 13 -3.670 14.028 5.269
104 1HB MET 13 1HB MET 13 -1.849 13.765 7.670
105 2HB MET 13 2HB MET 13 -2.435 15.285 7.012
106 1HG MET 13 1HG MET 13 -4.733 14.607 7.511
107 2HG MET 13 2HG MET 13 -4.133 13.095 8.188
108 1HE MET 13 1HE MET 13 -5.929 15.520 9.040
109 2HE MET 13 2HE MET 13 -4.966 16.943 9.438
110 3HE MET 13 3HE MET 13 -5.574 15.902 10.726
111 H ARG 14 H ARG 14 -0.774 12.082 5.549
112 HA ARG 14 HA ARG 14 0.765 14.014 3.968
113 1HB ARG 14 1HB ARG 14 1.567 11.542 5.503
114 2HB ARG 14 2HB ARG 14 2.667 12.391 4.433
115 1HG ARG 14 1HG ARG 14 3.184 13.223 6.535
116 2HG ARG 14 2HG ARG 14 2.142 14.466 5.841
117 1HD ARG 14 1HD ARG 14 1.597 13.949 8.196
118 2HD ARG 14 2HD ARG 14 0.252 13.648 7.093
119 HE ARG 14 HE ARG 14 1.744 11.277 7.483
120 1HH1 ARG 14 1HH1 ARG 14 -0.508 13.376 9.146
121 2HH1 ARG 14 2HH1 ARG 14 -1.148 12.109 10.137
122 1HH2 ARG 14 1HH2 ARG 14 0.900 9.610 8.792
123 2HH2 ARG 14 2HH2 ARG 14 -0.347 9.971 9.938
124 H SER 15 H SER 15 2.006 13.240 2.131
125 HA SER 15 HA SER 15 0.465 11.345 0.539
126 1HB SER 15 1HB SER 15 0.834 12.915 -0.975
127 2HB SER 15 2HB SER 15 2.113 13.671 -0.027
128 HG SER 15 HG SER 15 3.571 12.599 -1.137
129 H ASP 16 H ASP 16 3.794 11.880 1.632
130 HA ASP 16 HA ASP 16 4.880 9.534 0.469
131 1HB ASP 16 1HB ASP 16 6.643 9.932 2.419
132 2HB ASP 16 2HB ASP 16 6.588 10.976 1.007
133 H HIS 17 H HIS 17 3.768 10.254 3.774
134 HA HIS 17 HA HIS 17 4.307 7.726 4.873
135 1HB HIS 17 1HB HIS 17 2.384 9.917 5.614
136 2HB HIS 17 2HB HIS 17 2.433 8.406 6.508
137 HD1 HIS 17 HD1 HIS 17 3.162 9.956 8.550
138 HD2 HIS 17 HD2 HIS 17 5.905 9.646 5.442
139 HE1 HIS 17 HE1 HIS 17 5.331 10.803 9.481
140 HE2 HIS 17 HE2 HIS 17 6.957 10.691 7.562
141 H LEU 18 H LEU 18 1.398 9.013 3.286
142 HA LEU 18 HA LEU 18 -0.284 6.817 3.701
143 1HB LEU 18 1HB LEU 18 -0.914 9.065 2.783
144 2HB LEU 18 2HB LEU 18 -0.226 8.576 1.257
145 HG LEU 18 HG LEU 18 -2.345 6.889 2.503
146 1HD1 LEU 18 1HD1 LEU 18 -3.915 8.321 1.012
147 2HD1 LEU 18 2HD1 LEU 18 -2.685 9.565 1.245
148 3HD1 LEU 18 3HD1 LEU 18 -3.507 8.870 2.636
149 1HD2 LEU 18 1HD2 LEU 18 -2.777 7.067 -0.189
150 2HD2 LEU 18 2HD2 LEU 18 -1.881 5.785 0.630
151 3HD2 LEU 18 3HD2 LEU 18 -1.019 7.156 -0.073
152 H THR 19 H THR 19 1.962 7.545 1.040
153 HA THR 19 HA THR 19 1.398 5.275 -0.487
154 HB THR 19 HB THR 19 3.999 6.817 -0.315
155 HG1 THR 19 HG1 THR 19 1.745 7.148 -2.006
156 1HG2 THR 19 1HG2 THR 19 4.467 4.827 -1.508
157 2HG2 THR 19 2HG2 THR 19 4.256 6.107 -2.701
158 3HG2 THR 19 3HG2 THR 19 2.962 4.942 -2.420
159 H LEU 20 H LEU 20 3.487 5.771 2.295
160 HA LEU 20 HA LEU 20 5.031 3.432 2.138
161 1HB LEU 20 1HB LEU 20 5.325 5.388 3.726
162 2HB LEU 20 2HB LEU 20 4.029 4.704 4.686
163 HG LEU 20 HG LEU 20 6.153 2.780 4.108
164 1HD1 LEU 20 1HD1 LEU 20 7.540 4.786 4.214
165 2HD1 LEU 20 2HD1 LEU 20 7.795 3.757 5.623
166 3HD1 LEU 20 3HD1 LEU 20 6.811 5.214 5.761
167 1HD2 LEU 20 1HD2 LEU 20 5.924 2.332 6.480
168 2HD2 LEU 20 2HD2 LEU 20 4.334 2.435 5.724
169 3HD2 LEU 20 3HD2 LEU 20 4.944 3.784 6.681
170 H HIS 21 H HIS 21 1.781 4.040 3.344
171 HA HIS 21 HA HIS 21 1.315 1.554 4.574
172 1HB HIS 21 1HB HIS 21 -0.621 2.560 5.092
173 2HB HIS 21 2HB HIS 21 -0.099 3.953 4.190
174 HD1 HIS 21 HD1 HIS 21 -2.046 4.712 2.828
175 HD2 HIS 21 HD2 HIS 21 -1.674 0.594 2.819
176 HE1 HIS 21 HE1 HIS 21 -3.920 3.816 1.400
177 H ILE 22 H ILE 22 0.479 2.783 1.374
178 HA ILE 22 HA ILE 22 -0.861 0.578 0.402
179 HB ILE 22 HB ILE 22 0.815 2.371 -1.346
180 1HG1 ILE 22 1HG1 ILE 22 -2.034 2.983 -0.780
181 2HG1 ILE 22 2HG1 ILE 22 -0.894 3.369 0.488
182 1HG2 ILE 22 1HG2 ILE 22 -0.470 0.266 -2.192
183 2HG2 ILE 22 2HG2 ILE 22 -0.615 1.786 -3.074
184 3HG2 ILE 22 3HG2 ILE 22 -1.897 1.280 -1.970
185 1HD1 ILE 22 1HD1 ILE 22 -0.489 5.258 -0.546
186 2HD1 ILE 22 2HD1 ILE 22 -1.488 4.775 -1.914
187 3HD1 ILE 22 3HD1 ILE 22 0.221 4.346 -1.875
188 H LEU 23 H LEU 23 2.500 0.780 1.044
189 HA LEU 23 HA LEU 23 3.501 -1.022 -0.870
190 1HB LEU 23 1HB LEU 23 4.403 0.107 1.678
191 2HB LEU 23 2HB LEU 23 5.007 -1.512 1.385
192 HG LEU 23 HG LEU 23 5.822 -0.677 -0.864
193 1HD1 LEU 23 1HD1 LEU 23 6.152 1.741 -1.079
194 2HD1 LEU 23 2HD1 LEU 23 5.227 1.995 0.401
195 3HD1 LEU 23 3HD1 LEU 23 4.441 1.316 -1.025
196 1HD2 LEU 23 1HD2 LEU 23 7.263 -1.029 1.126
197 2HD2 LEU 23 2HD2 LEU 23 7.020 0.664 1.555
198 3HD2 LEU 23 3HD2 LEU 23 7.841 0.245 0.052
199 H LEU 24 H LEU 24 1.507 -1.494 1.935
200 HA LEU 24 HA LEU 24 2.050 -4.165 2.582
201 1HB LEU 24 1HB LEU 24 -0.685 -2.885 2.638
202 2HB LEU 24 2HB LEU 24 -0.132 -4.238 3.601
203 HG LEU 24 HG LEU 24 1.362 -1.710 3.963
204 1HD1 LEU 24 1HD1 LEU 24 -1.105 -1.081 3.730
205 2HD1 LEU 24 2HD1 LEU 24 -0.285 -0.588 5.211
206 3HD1 LEU 24 3HD1 LEU 24 -1.355 -1.989 5.223
207 1HD2 LEU 24 1HD2 LEU 24 1.304 -2.422 6.289
208 2HD2 LEU 24 2HD2 LEU 24 1.848 -3.740 5.251
209 3HD2 LEU 24 3HD2 LEU 24 0.199 -3.734 5.876
210 H HIS 25 H HIS 25 -0.282 -2.782 0.289
211 HA HIS 25 HA HIS 25 -1.510 -5.100 -0.596
212 1HB HIS 25 1HB HIS 25 -0.884 -2.622 -2.219
213 2HB HIS 25 2HB HIS 25 -2.093 -3.836 -2.623
214 HD1 HIS 25 HD1 HIS 25 -3.984 -4.107 -0.535
215 HD2 HIS 25 HD2 HIS 25 -1.921 -0.520 -0.927
216 HE1 HIS 25 HE1 HIS 25 -5.327 -2.370 0.719
217 H GLU 26 H GLU 26 1.384 -3.511 -1.949
218 HA GLU 26 HA GLU 26 1.801 -5.537 -3.927
219 1HB GLU 26 1HB GLU 26 3.615 -3.354 -2.885
220 2HB GLU 26 2HB GLU 26 4.017 -4.409 -4.233
221 1HG GLU 26 1HG GLU 26 1.963 -3.578 -5.388
222 2HG GLU 26 2HG GLU 26 1.785 -2.401 -4.087
223 H ASN 27 H ASN 27 3.643 -4.642 -1.002
224 HA ASN 27 HA ASN 27 4.751 -7.367 -0.941
225 1HB ASN 27 1HB ASN 27 5.790 -4.954 0.555
226 2HB ASN 27 2HB ASN 27 6.602 -6.497 0.313
227 1HD2 ASN 27 1HD2 ASN 27 5.754 -3.447 -1.098
228 2HD2 ASN 27 2HD2 ASN 27 6.747 -3.589 -2.503
229 H LYS 28 H LYS 28 3.590 -8.652 0.343
230 HA LYS 28 HA LYS 28 2.240 -7.568 2.686
231 1HB LYS 28 1HB LYS 28 2.172 -10.289 1.377
232 2HB LYS 28 2HB LYS 28 1.302 -9.902 2.856
233 1HG LYS 28 1HG LYS 28 -0.276 -8.698 1.779
234 2HG LYS 28 2HG LYS 28 0.855 -8.091 0.569
235 1HD LYS 28 1HD LYS 28 0.816 -10.710 -0.081
236 2HD LYS 28 2HD LYS 28 -0.818 -10.522 0.557
237 1HE LYS 28 1HE LYS 28 -1.212 -8.668 -0.982
238 2HE LYS 28 2HE LYS 28 0.428 -8.829 -1.607
239 1HZ LYS 28 1HZ LYS 28 -0.126 -11.046 -2.390
240 2HZ LYS 28 2HZ LYS 28 -1.181 -9.902 -3.051
241 3HZ LYS 28 3HZ LYS 28 -1.699 -10.896 -1.785
242 H LYS 29 H LYS 29 2.789 -7.958 4.763
243 HA LYS 29 HA LYS 29 5.326 -9.348 5.225
244 1HB LYS 29 1HB LYS 29 5.217 -8.242 7.481
245 2HB LYS 29 2HB LYS 29 5.330 -7.140 6.118
246 1HG LYS 29 1HG LYS 29 3.274 -6.267 6.472
247 2HG LYS 29 2HG LYS 29 2.606 -7.787 7.069
248 1HD LYS 29 1HD LYS 29 2.789 -6.978 9.134
249 2HD LYS 29 2HD LYS 29 4.543 -7.027 8.944
250 1HE LYS 29 1HE LYS 29 4.443 -4.755 7.947
251 2HE LYS 29 2HE LYS 29 2.716 -4.716 8.293
252 1HZ LYS 29 1HZ LYS 29 3.227 -4.957 10.649
253 2HZ LYS 29 2HZ LYS 29 3.972 -3.582 10.006
254 3HZ LYS 29 3HZ LYS 29 4.884 -4.973 10.307
Start of MODEL 49
1 H TYR 1 H TYR 1 -9.320 13.911 6.595
2 HA TYR 1 HA TYR 1 -7.954 11.649 5.310
3 1HB TYR 1 1HB TYR 1 -10.703 12.741 4.742
4 2HB TYR 1 2HB TYR 1 -10.080 11.122 4.452
5 HD1 TYR 1 HD1 TYR 1 -12.112 13.080 6.537
6 HD2 TYR 1 HD2 TYR 1 -9.410 9.797 6.651
7 HE1 TYR 1 HE1 TYR 1 -13.118 12.333 8.652
8 HE2 TYR 1 HE2 TYR 1 -10.408 9.040 8.764
9 HH TYR 1 HH TYR 1 -11.947 10.656 10.755
10 H LYS 2 H LYS 2 -6.370 12.768 4.152
11 HA LYS 2 HA LYS 2 -7.226 14.940 2.395
12 1HB LYS 2 1HB LYS 2 -5.012 14.772 3.862
13 2HB LYS 2 2HB LYS 2 -4.411 13.970 2.417
14 1HG LYS 2 1HG LYS 2 -5.763 16.320 1.597
15 2HG LYS 2 2HG LYS 2 -4.690 16.747 2.931
16 1HD LYS 2 1HD LYS 2 -3.390 16.994 0.983
17 2HD LYS 2 2HD LYS 2 -2.881 15.460 1.692
18 1HE LYS 2 1HE LYS 2 -3.137 15.204 -0.696
19 2HE LYS 2 2HE LYS 2 -4.383 14.275 0.134
20 1HZ LYS 2 1HZ LYS 2 -4.893 17.011 -0.873
21 2HZ LYS 2 2HZ LYS 2 -6.017 15.819 -0.453
22 3HZ LYS 2 3HZ LYS 2 -5.091 15.648 -1.858
23 H PHE 3 H PHE 3 -5.362 11.897 2.083
24 HA PHE 3 HA PHE 3 -6.100 11.821 -0.758
25 1HB PHE 3 1HB PHE 3 -3.742 10.962 0.783
26 2HB PHE 3 2HB PHE 3 -4.286 9.807 -0.418
27 HD1 PHE 3 HD1 PHE 3 -4.874 10.947 -2.778
28 HD2 PHE 3 HD2 PHE 3 -2.172 12.488 0.128
29 HE1 PHE 3 HE1 PHE 3 -3.722 12.230 -4.533
30 HE2 PHE 3 HE2 PHE 3 -1.017 13.776 -1.622
31 HZ PHE 3 HZ PHE 3 -1.793 13.648 -3.956
32 H ALA 4 H ALA 4 -6.169 9.422 -1.578
33 HA ALA 4 HA ALA 4 -7.540 7.638 0.276
34 1HB ALA 4 1HB ALA 4 -8.817 8.592 -2.286
35 2HB ALA 4 2HB ALA 4 -9.353 8.970 -0.648
36 3HB ALA 4 3HB ALA 4 -9.440 7.312 -1.243
37 H CYS 5 H CYS 5 -6.946 5.574 -0.057
38 HA CYS 5 HA CYS 5 -5.063 4.917 -2.081
39 1HB CYS 5 1HB CYS 5 -5.344 3.858 0.254
40 2HB CYS 5 2HB CYS 5 -6.600 2.879 -0.487
41 HG CYS 5 HG CYS 5 -4.771 1.374 -1.086
42 HA PRO 6 HA PRO 6 -7.877 3.818 -5.340
43 1HB PRO 6 1HB PRO 6 -6.161 2.474 -6.942
44 2HB PRO 6 2HB PRO 6 -6.118 4.233 -6.766
45 1HG PRO 6 1HG PRO 6 -4.403 2.155 -5.461
46 2HG PRO 6 2HG PRO 6 -3.932 3.710 -6.170
47 1HD PRO 6 1HD PRO 6 -4.247 3.333 -3.496
48 2HD PRO 6 2HD PRO 6 -4.542 4.892 -4.295
49 H GLU 7 H GLU 7 -6.097 1.462 -3.483
50 HA GLU 7 HA GLU 7 -7.703 -0.739 -4.552
51 1HB GLU 7 1HB GLU 7 -5.056 -0.641 -3.967
52 2HB GLU 7 2HB GLU 7 -5.688 -1.287 -2.460
53 1HG GLU 7 1HG GLU 7 -6.572 -2.518 -5.019
54 2HG GLU 7 2HG GLU 7 -4.946 -2.858 -4.428
55 H CYS 8 H CYS 8 -6.863 0.785 -1.436
56 HA CYS 8 HA CYS 8 -9.244 -0.508 -0.264
57 1HB CYS 8 1HB CYS 8 -8.148 -0.551 1.854
58 2HB CYS 8 2HB CYS 8 -7.022 -1.203 0.677
59 HG CYS 8 HG CYS 8 -5.456 0.641 1.127
60 HA PRO 9 HA PRO 9 -10.705 3.508 0.872
61 1HB PRO 9 1HB PRO 9 -12.225 2.967 2.994
62 2HB PRO 9 2HB PRO 9 -12.567 2.243 1.419
63 1HG PRO 9 1HG PRO 9 -11.321 1.027 3.834
64 2HG PRO 9 2HG PRO 9 -12.371 0.287 2.615
65 1HD PRO 9 1HD PRO 9 -9.549 0.145 2.732
66 2HD PRO 9 2HD PRO 9 -10.580 -0.383 1.393
67 H LYS 10 H LYS 10 -7.988 3.277 1.856
68 HA LYS 10 HA LYS 10 -8.092 4.290 4.586
69 1HB LYS 10 1HB LYS 10 -5.698 3.774 2.815
70 2HB LYS 10 2HB LYS 10 -5.636 4.243 4.486
71 1HG LYS 10 1HG LYS 10 -7.207 1.825 3.904
72 2HG LYS 10 2HG LYS 10 -5.463 1.708 3.665
73 1HD LYS 10 1HD LYS 10 -6.096 3.058 6.142
74 2HD LYS 10 2HD LYS 10 -6.849 1.465 6.072
75 1HE LYS 10 1HE LYS 10 -4.391 0.860 5.156
76 2HE LYS 10 2HE LYS 10 -3.997 2.218 6.209
77 1HZ LYS 10 1HZ LYS 10 -3.884 0.097 7.377
78 2HZ LYS 10 2HZ LYS 10 -5.513 -0.203 7.029
79 3HZ LYS 10 3HZ LYS 10 -5.087 1.090 8.035
80 H ARG 11 H ARG 11 -7.110 6.286 5.182
81 HA ARG 11 HA ARG 11 -6.812 8.279 3.056
82 1HB ARG 11 1HB ARG 11 -8.373 8.844 5.567
83 2HB ARG 11 2HB ARG 11 -8.239 9.840 4.133
84 1HG ARG 11 1HG ARG 11 -10.267 8.987 3.680
85 2HG ARG 11 2HG ARG 11 -9.325 7.635 3.050
86 1HD ARG 11 1HD ARG 11 -9.539 6.476 5.184
87 2HD ARG 11 2HD ARG 11 -10.437 7.838 5.848
88 HE ARG 11 HE ARG 11 -11.418 5.812 4.029
89 1HH1 ARG 11 1HH1 ARG 11 -11.976 8.974 5.435
90 2HH1 ARG 11 2HH1 ARG 11 -13.678 8.944 5.124
91 1HH2 ARG 11 1HH2 ARG 11 -13.660 5.783 3.624
92 2HH2 ARG 11 2HH2 ARG 11 -14.634 7.134 4.097
93 H PHE 12 H PHE 12 -5.173 9.698 3.391
94 HA PHE 12 HA PHE 12 -4.026 9.924 6.081
95 1HB PHE 12 1HB PHE 12 -2.328 9.439 3.658
96 2HB PHE 12 2HB PHE 12 -1.782 9.535 5.318
97 HD1 PHE 12 HD1 PHE 12 -4.250 7.588 3.308
98 HD2 PHE 12 HD2 PHE 12 -1.253 7.532 6.326
99 HE1 PHE 12 HE1 PHE 12 -4.486 5.163 3.485
100 HE2 PHE 12 HE2 PHE 12 -1.491 5.087 6.511
101 HZ PHE 12 HZ PHE 12 -3.111 3.899 5.075
102 H MET 13 H MET 13 -2.989 11.843 6.538
103 HA MET 13 HA MET 13 -3.734 14.087 4.907
104 1HB MET 13 1HB MET 13 -2.276 13.781 7.517
105 2HB MET 13 2HB MET 13 -2.348 15.338 6.701
106 1HG MET 13 1HG MET 13 -4.472 15.685 7.292
107 2HG MET 13 2HG MET 13 -4.941 14.020 6.957
108 1HE MET 13 1HE MET 13 -6.313 14.950 10.222
109 2HE MET 13 2HE MET 13 -6.265 13.220 9.885
110 3HE MET 13 3HE MET 13 -6.545 14.365 8.574
111 H ARG 14 H ARG 14 -0.870 12.154 5.352
112 HA ARG 14 HA ARG 14 0.759 14.069 3.842
113 1HB ARG 14 1HB ARG 14 1.469 11.593 5.412
114 2HB ARG 14 2HB ARG 14 2.624 12.442 4.402
115 1HG ARG 14 1HG ARG 14 3.029 13.247 6.548
116 2HG ARG 14 2HG ARG 14 2.065 14.511 5.787
117 1HD ARG 14 1HD ARG 14 1.391 13.965 8.128
118 2HD ARG 14 2HD ARG 14 0.095 13.808 6.940
119 HE ARG 14 HE ARG 14 1.385 11.318 7.320
120 1HH1 ARG 14 1HH1 ARG 14 -0.819 13.513 8.929
121 2HH1 ARG 14 2HH1 ARG 14 -1.609 12.258 9.821
122 1HH2 ARG 14 1HH2 ARG 14 0.347 9.673 8.501
123 2HH2 ARG 14 2HH2 ARG 14 -0.947 10.076 9.579
124 H SER 15 H SER 15 2.078 13.276 2.065
125 HA SER 15 HA SER 15 0.583 11.396 0.411
126 1HB SER 15 1HB SER 15 1.181 12.671 -1.286
127 2HB SER 15 2HB SER 15 1.901 13.789 -0.132
128 HG SER 15 HG SER 15 3.852 13.070 -0.629
129 H ASP 16 H ASP 16 3.885 11.859 1.652
130 HA ASP 16 HA ASP 16 4.907 9.467 0.496
131 1HB ASP 16 1HB ASP 16 6.900 9.866 1.781
132 2HB ASP 16 2HB ASP 16 6.326 11.408 1.164
133 H HIS 17 H HIS 17 3.583 10.271 3.686
134 HA HIS 17 HA HIS 17 4.165 7.786 4.914
135 1HB HIS 17 1HB HIS 17 2.140 9.937 5.509
136 2HB HIS 17 2HB HIS 17 2.238 8.464 6.460
137 HD1 HIS 17 HD1 HIS 17 2.802 10.183 8.443
138 HD2 HIS 17 HD2 HIS 17 5.691 9.777 5.484
139 HE1 HIS 17 HE1 HIS 17 4.899 11.162 9.412
140 HE2 HIS 17 HE2 HIS 17 6.661 10.815 7.647
141 H LEU 18 H LEU 18 1.320 9.001 3.172
142 HA LEU 18 HA LEU 18 -0.369 6.810 3.554
143 1HB LEU 18 1HB LEU 18 -0.940 9.039 2.537
144 2HB LEU 18 2HB LEU 18 -0.191 8.491 1.060
145 HG LEU 18 HG LEU 18 -2.378 6.865 2.271
146 1HD1 LEU 18 1HD1 LEU 18 -3.908 8.228 0.730
147 2HD1 LEU 18 2HD1 LEU 18 -2.654 9.466 0.828
148 3HD1 LEU 18 3HD1 LEU 18 -3.469 8.919 2.292
149 1HD2 LEU 18 1HD2 LEU 18 -2.680 6.973 -0.449
150 2HD2 LEU 18 2HD2 LEU 18 -1.860 5.695 0.455
151 3HD2 LEU 18 3HD2 LEU 18 -0.929 7.023 -0.242
152 H THR 19 H THR 19 2.002 7.472 0.991
153 HA THR 19 HA THR 19 1.535 5.151 -0.491
154 HB THR 19 HB THR 19 4.132 6.691 -0.249
155 HG1 THR 19 HG1 THR 19 1.935 7.052 -2.009
156 1HG2 THR 19 1HG2 THR 19 4.469 5.967 -2.605
157 2HG2 THR 19 2HG2 THR 19 3.117 4.853 -2.399
158 3HG2 THR 19 3HG2 THR 19 4.570 4.667 -1.418
159 H LEU 20 H LEU 20 3.516 5.767 2.352
160 HA LEU 20 HA LEU 20 5.086 3.446 2.355
161 1HB LEU 20 1HB LEU 20 5.249 5.469 3.894
162 2HB LEU 20 2HB LEU 20 3.939 4.761 4.817
163 HG LEU 20 HG LEU 20 6.233 2.969 4.346
164 1HD1 LEU 20 1HD1 LEU 20 7.391 5.105 4.677
165 2HD1 LEU 20 2HD1 LEU 20 7.634 4.007 6.036
166 3HD1 LEU 20 3HD1 LEU 20 6.498 5.349 6.179
167 1HD2 LEU 20 1HD2 LEU 20 4.438 2.245 5.748
168 2HD2 LEU 20 2HD2 LEU 20 4.527 3.717 6.715
169 3HD2 LEU 20 3HD2 LEU 20 5.840 2.541 6.775
170 H HIS 21 H HIS 21 1.769 4.034 3.338
171 HA HIS 21 HA HIS 21 1.276 1.574 4.632
172 1HB HIS 21 1HB HIS 21 -0.666 2.603 5.060
173 2HB HIS 21 2HB HIS 21 -0.128 3.962 4.119
174 HD1 HIS 21 HD1 HIS 21 -2.044 4.656 2.683
175 HD2 HIS 21 HD2 HIS 21 -1.656 0.536 2.853
176 HE1 HIS 21 HE1 HIS 21 -3.888 3.699 1.249
177 H ILE 22 H ILE 22 0.661 2.703 1.353
178 HA ILE 22 HA ILE 22 -0.606 0.386 0.439
179 HB ILE 22 HB ILE 22 0.963 2.200 -1.378
180 1HG1 ILE 22 1HG1 ILE 22 -1.876 2.811 -0.814
181 2HG1 ILE 22 2HG1 ILE 22 -0.762 3.204 0.473
182 1HG2 ILE 22 1HG2 ILE 22 -0.509 -0.003 -1.946
183 2HG2 ILE 22 2HG2 ILE 22 -0.290 1.351 -3.053
184 3HG2 ILE 22 3HG2 ILE 22 -1.741 1.254 -2.050
185 1HD1 ILE 22 1HD1 ILE 22 -0.360 5.095 -0.564
186 2HD1 ILE 22 2HD1 ILE 22 -1.296 4.584 -1.967
187 3HD1 ILE 22 3HD1 ILE 22 0.416 4.175 -1.853
188 H LEU 23 H LEU 23 2.593 0.602 1.379
189 HA LEU 23 HA LEU 23 3.886 -0.961 -0.584
190 1HB LEU 23 1HB LEU 23 4.465 -0.020 2.130
191 2HB LEU 23 2HB LEU 23 5.181 -1.577 1.766
192 HG LEU 23 HG LEU 23 6.178 -0.508 -0.303
193 1HD1 LEU 23 1HD1 LEU 23 6.325 1.873 -0.425
194 2HD1 LEU 23 2HD1 LEU 23 5.474 2.057 1.109
195 3HD1 LEU 23 3HD1 LEU 23 4.620 1.438 -0.304
196 1HD2 LEU 23 1HD2 LEU 23 7.046 0.678 2.328
197 2HD2 LEU 23 2HD2 LEU 23 8.040 0.407 0.896
198 3HD2 LEU 23 3HD2 LEU 23 7.413 -0.967 1.807
199 H LEU 24 H LEU 24 1.949 -1.786 2.269
200 HA LEU 24 HA LEU 24 2.569 -4.554 2.277
201 1HB LEU 24 1HB LEU 24 0.151 -4.642 3.383
202 2HB LEU 24 2HB LEU 24 1.590 -4.162 4.251
203 HG LEU 24 HG LEU 24 0.953 -1.769 3.742
204 1HD1 LEU 24 1HD1 LEU 24 -0.586 -1.950 1.961
205 2HD1 LEU 24 2HD1 LEU 24 -1.550 -1.493 3.365
206 3HD1 LEU 24 3HD1 LEU 24 -1.542 -3.168 2.808
207 1HD2 LEU 24 1HD2 LEU 24 0.498 -3.251 5.842
208 2HD2 LEU 24 2HD2 LEU 24 -1.186 -3.059 5.349
209 3HD2 LEU 24 3HD2 LEU 24 -0.204 -1.638 5.706
210 H HIS 25 H HIS 25 0.352 -2.670 0.364
211 HA HIS 25 HA HIS 25 -1.417 -4.678 -0.462
212 1HB HIS 25 1HB HIS 25 -0.521 -2.081 -1.659
213 2HB HIS 25 2HB HIS 25 -1.530 -3.170 -2.603
214 HD1 HIS 25 HD1 HIS 25 -3.697 -4.047 -0.814
215 HD2 HIS 25 HD2 HIS 25 -2.078 -0.231 -0.545
216 HE1 HIS 25 HE1 HIS 25 -5.439 -2.615 0.330
217 H GLU 26 H GLU 26 1.824 -3.871 -1.569
218 HA GLU 26 HA GLU 26 1.924 -5.177 -4.001
219 1HB GLU 26 1HB GLU 26 3.751 -3.896 -2.465
220 2HB GLU 26 2HB GLU 26 4.288 -5.558 -2.262
221 1HG GLU 26 1HG GLU 26 3.890 -4.176 -4.906
222 2HG GLU 26 2HG GLU 26 5.438 -4.397 -4.092
223 H ASN 27 H ASN 27 2.496 -6.553 -0.765
224 HA ASN 27 HA ASN 27 2.470 -9.246 -1.926
225 1HB ASN 27 1HB ASN 27 4.301 -8.506 -0.318
226 2HB ASN 27 2HB ASN 27 3.073 -8.516 0.944
227 1HD2 ASN 27 1HD2 ASN 27 2.785 -10.346 2.015
228 2HD2 ASN 27 2HD2 ASN 27 3.315 -11.909 1.504
229 H LYS 28 H LYS 28 0.258 -9.440 -2.338
230 HA LYS 28 HA LYS 28 -1.340 -10.123 -0.008
231 1HB LYS 28 1HB LYS 28 -1.645 -7.617 -1.312
232 2HB LYS 28 2HB LYS 28 -3.043 -8.596 -1.731
233 1HG LYS 28 1HG LYS 28 -3.263 -9.058 0.763
234 2HG LYS 28 2HG LYS 28 -2.113 -7.737 0.987
235 1HD LYS 28 1HD LYS 28 -3.677 -6.326 -0.428
236 2HD LYS 28 2HD LYS 28 -4.855 -7.628 -0.251
237 1HE LYS 28 1HE LYS 28 -4.220 -7.322 2.313
238 2HE LYS 28 2HE LYS 28 -3.830 -5.695 1.757
239 1HZ LYS 28 1HZ LYS 28 -6.445 -7.070 1.437
240 2HZ LYS 28 2HZ LYS 28 -6.079 -5.526 0.849
241 3HZ LYS 28 3HZ LYS 28 -6.105 -5.811 2.516
242 H LYS 29 H LYS 29 -2.361 -11.977 -0.404
243 HA LYS 29 HA LYS 29 -2.749 -12.794 -3.200
244 1HB LYS 29 1HB LYS 29 -2.857 -15.091 -2.363
245 2HB LYS 29 2HB LYS 29 -1.365 -14.304 -1.869
246 1HG LYS 29 1HG LYS 29 -1.993 -14.207 0.351
247 2HG LYS 29 2HG LYS 29 -3.713 -14.330 -0.021
248 1HD LYS 29 1HD LYS 29 -1.791 -16.579 -0.560
249 2HD LYS 29 2HD LYS 29 -2.592 -16.381 1.001
250 1HE LYS 29 1HE LYS 29 -4.717 -16.181 -0.634
251 2HE LYS 29 2HE LYS 29 -3.688 -17.226 -1.611
252 1HZ LYS 29 1HZ LYS 29 -3.505 -18.725 0.306
253 2HZ LYS 29 2HZ LYS 29 -5.106 -18.544 -0.208
254 3HZ LYS 29 3HZ LYS 29 -4.568 -17.740 1.178
Start of MODEL 50
1 H TYR 1 H TYR 1 -7.569 13.523 7.219
2 HA TYR 1 HA TYR 1 -6.816 12.353 5.351
3 1HB TYR 1 1HB TYR 1 -9.801 12.871 5.310
4 2HB TYR 1 2HB TYR 1 -9.020 11.517 4.502
5 HD1 TYR 1 HD1 TYR 1 -11.123 11.824 6.931
6 HD2 TYR 1 HD2 TYR 1 -7.020 10.748 6.585
7 HE1 TYR 1 HE1 TYR 1 -11.302 10.500 8.994
8 HE2 TYR 1 HE2 TYR 1 -7.189 9.421 8.648
9 HH TYR 1 HH TYR 1 -9.185 9.702 10.860
10 H LYS 2 H LYS 2 -5.587 13.422 3.833
11 HA LYS 2 HA LYS 2 -6.932 15.064 1.827
12 1HB LYS 2 1HB LYS 2 -4.474 15.285 3.068
13 2HB LYS 2 2HB LYS 2 -4.058 14.645 1.484
14 1HG LYS 2 1HG LYS 2 -5.558 16.532 0.573
15 2HG LYS 2 2HG LYS 2 -5.385 17.234 2.182
16 1HD LYS 2 1HD LYS 2 -2.994 16.365 0.587
17 2HD LYS 2 2HD LYS 2 -3.722 17.956 0.359
18 1HE LYS 2 1HE LYS 2 -2.965 16.988 3.092
19 2HE LYS 2 2HE LYS 2 -1.759 17.700 2.022
20 1HZ LYS 2 1HZ LYS 2 -2.647 19.396 3.426
21 2HZ LYS 2 2HZ LYS 2 -4.238 18.993 3.017
22 3HZ LYS 2 3HZ LYS 2 -3.214 19.675 1.856
23 H PHE 3 H PHE 3 -4.588 12.362 1.851
24 HA PHE 3 HA PHE 3 -5.266 11.708 -0.888
25 1HB PHE 3 1HB PHE 3 -3.185 10.738 1.059
26 2HB PHE 3 2HB PHE 3 -3.475 9.932 -0.462
27 HD1 PHE 3 HD1 PHE 3 -2.634 10.792 -2.499
28 HD2 PHE 3 HD2 PHE 3 -2.425 13.114 1.062
29 HE1 PHE 3 HE1 PHE 3 -1.152 12.394 -3.635
30 HE2 PHE 3 HE2 PHE 3 -0.943 14.720 -0.068
31 HZ PHE 3 HZ PHE 3 -0.305 14.361 -2.419
32 H ALA 4 H ALA 4 -5.440 9.294 -1.390
33 HA ALA 4 HA ALA 4 -6.743 7.672 0.621
34 1HB ALA 4 1HB ALA 4 -8.804 7.347 -0.670
35 2HB ALA 4 2HB ALA 4 -8.266 8.567 -1.825
36 3HB ALA 4 3HB ALA 4 -8.611 9.024 -0.157
37 H CYS 5 H CYS 5 -6.861 5.462 0.056
38 HA CYS 5 HA CYS 5 -4.958 4.677 -1.974
39 1HB CYS 5 1HB CYS 5 -5.279 3.618 0.376
40 2HB CYS 5 2HB CYS 5 -6.611 2.749 -0.370
41 HG CYS 5 HG CYS 5 -4.743 1.153 -0.783
42 HA PRO 6 HA PRO 6 -8.022 3.839 -5.084
43 1HB PRO 6 1HB PRO 6 -6.471 2.504 -6.836
44 2HB PRO 6 2HB PRO 6 -6.300 4.243 -6.570
45 1HG PRO 6 1HG PRO 6 -4.663 1.989 -5.475
46 2HG PRO 6 2HG PRO 6 -4.125 3.551 -6.122
47 1HD PRO 6 1HD PRO 6 -4.354 3.020 -3.453
48 2HD PRO 6 2HD PRO 6 -4.526 4.645 -4.148
49 H GLU 7 H GLU 7 -6.281 1.384 -3.347
50 HA GLU 7 HA GLU 7 -7.996 -0.740 -4.401
51 1HB GLU 7 1HB GLU 7 -5.322 -0.625 -3.138
52 2HB GLU 7 2HB GLU 7 -6.309 -2.013 -2.717
53 1HG GLU 7 1HG GLU 7 -4.914 -2.585 -4.573
54 2HG GLU 7 2HG GLU 7 -6.587 -2.499 -5.124
55 H CYS 8 H CYS 8 -6.860 0.546 -1.261
56 HA CYS 8 HA CYS 8 -9.203 -0.695 0.015
57 1HB CYS 8 1HB CYS 8 -8.015 -0.670 2.069
58 2HB CYS 8 2HB CYS 8 -6.886 -1.246 0.857
59 HG CYS 8 HG CYS 8 -5.391 0.578 1.472
60 HA PRO 9 HA PRO 9 -10.808 3.270 1.095
61 1HB PRO 9 1HB PRO 9 -12.145 2.753 3.348
62 2HB PRO 9 2HB PRO 9 -12.562 1.956 1.827
63 1HG PRO 9 1HG PRO 9 -11.103 0.885 4.187
64 2HG PRO 9 2HG PRO 9 -12.192 0.053 3.065
65 1HD PRO 9 1HD PRO 9 -9.365 0.043 3.004
66 2HD PRO 9 2HD PRO 9 -10.451 -0.575 1.750
67 H LYS 10 H LYS 10 -7.981 3.007 2.074
68 HA LYS 10 HA LYS 10 -8.049 4.300 4.672
69 1HB LYS 10 1HB LYS 10 -5.665 3.645 2.926
70 2HB LYS 10 2HB LYS 10 -5.601 4.239 4.559
71 1HG LYS 10 1HG LYS 10 -7.166 1.779 4.165
72 2HG LYS 10 2HG LYS 10 -5.422 1.650 3.928
73 1HD LYS 10 1HD LYS 10 -5.679 1.187 6.190
74 2HD LYS 10 2HD LYS 10 -5.251 2.898 6.182
75 1HE LYS 10 1HE LYS 10 -7.519 3.546 6.519
76 2HE LYS 10 2HE LYS 10 -8.092 1.900 6.248
77 1HZ LYS 10 1HZ LYS 10 -8.052 2.483 8.603
78 2HZ LYS 10 2HZ LYS 10 -6.386 2.762 8.522
79 3HZ LYS 10 3HZ LYS 10 -6.994 1.205 8.270
80 H ARG 11 H ARG 11 -7.001 6.327 5.070
81 HA ARG 11 HA ARG 11 -6.597 8.119 2.812
82 1HB ARG 11 1HB ARG 11 -8.099 9.843 4.031
83 2HB ARG 11 2HB ARG 11 -8.865 8.608 3.045
84 1HG ARG 11 1HG ARG 11 -8.492 7.918 5.885
85 2HG ARG 11 2HG ARG 11 -9.625 9.226 5.550
86 1HD ARG 11 1HD ARG 11 -10.266 7.312 3.664
87 2HD ARG 11 2HD ARG 11 -9.893 6.365 5.105
88 HE ARG 11 HE ARG 11 -11.540 8.313 6.031
89 1HH1 ARG 11 1HH1 ARG 11 -11.804 5.968 3.443
90 2HH1 ARG 11 2HH1 ARG 11 -13.528 5.859 3.555
91 1HH2 ARG 11 1HH2 ARG 11 -13.808 8.165 6.173
92 2HH2 ARG 11 2HH2 ARG 11 -14.666 7.106 5.104
93 H PHE 12 H PHE 12 -4.971 9.522 3.198
94 HA PHE 12 HA PHE 12 -4.198 10.010 5.995
95 1HB PHE 12 1HB PHE 12 -2.220 9.461 3.817
96 2HB PHE 12 2HB PHE 12 -1.887 9.603 5.525
97 HD1 PHE 12 HD1 PHE 12 -4.192 7.587 3.394
98 HD2 PHE 12 HD2 PHE 12 -1.320 7.599 6.527
99 HE1 PHE 12 HE1 PHE 12 -4.424 5.166 3.594
100 HE2 PHE 12 HE2 PHE 12 -1.551 5.153 6.738
101 HZ PHE 12 HZ PHE 12 -3.112 3.934 5.255
102 H MET 13 H MET 13 -3.318 11.997 6.449
103 HA MET 13 HA MET 13 -3.983 14.136 4.706
104 1HB MET 13 1HB MET 13 -2.864 15.574 6.384
105 2HB MET 13 2HB MET 13 -4.031 14.472 7.100
106 1HG MET 13 1HG MET 13 -1.365 13.338 7.033
107 2HG MET 13 2HG MET 13 -1.417 14.871 7.902
108 1HE MET 13 1HE MET 13 -3.200 14.419 10.974
109 2HE MET 13 2HE MET 13 -4.418 14.666 9.724
110 3HE MET 13 3HE MET 13 -2.861 15.485 9.610
111 H ARG 14 H ARG 14 -1.066 12.293 5.238
112 HA ARG 14 HA ARG 14 0.489 14.140 3.574
113 1HB ARG 14 1HB ARG 14 1.238 11.884 5.416
114 2HB ARG 14 2HB ARG 14 2.385 12.518 4.247
115 1HG ARG 14 1HG ARG 14 2.969 13.953 5.845
116 2HG ARG 14 2HG ARG 14 1.465 14.795 5.467
117 1HD ARG 14 1HD ARG 14 0.888 14.463 7.595
118 2HD ARG 14 2HD ARG 14 0.675 12.762 7.170
119 HE ARG 14 HE ARG 14 2.614 12.261 8.294
120 1HH1 ARG 14 1HH1 ARG 14 2.381 15.735 7.936
121 2HH1 ARG 14 2HH1 ARG 14 3.687 16.058 9.024
122 1HH2 ARG 14 1HH2 ARG 14 4.337 12.691 9.723
123 2HH2 ARG 14 2HH2 ARG 14 4.799 14.331 10.038
124 H SER 15 H SER 15 1.898 13.203 1.907
125 HA SER 15 HA SER 15 0.432 11.235 0.336
126 1HB SER 15 1HB SER 15 1.217 12.252 -1.473
127 2HB SER 15 2HB SER 15 1.641 13.564 -0.379
128 HG SER 15 HG SER 15 3.716 12.995 -0.469
129 H ASP 16 H ASP 16 3.681 11.716 1.691
130 HA ASP 16 HA ASP 16 4.753 9.280 0.706
131 1HB ASP 16 1HB ASP 16 5.808 11.502 1.931
132 2HB ASP 16 2HB ASP 16 5.940 10.282 3.192
133 H HIS 17 H HIS 17 3.261 10.196 3.792
134 HA HIS 17 HA HIS 17 3.727 7.790 5.162
135 1HB HIS 17 1HB HIS 17 1.904 10.098 5.481
136 2HB HIS 17 2HB HIS 17 1.393 8.603 6.248
137 HD1 HIS 17 HD1 HIS 17 1.748 9.715 8.569
138 HD2 HIS 17 HD2 HIS 17 5.194 9.381 6.273
139 HE1 HIS 17 HE1 HIS 17 3.646 10.176 10.138
140 HE2 HIS 17 HE2 HIS 17 5.718 10.068 8.711
141 H LEU 18 H LEU 18 0.866 8.847 3.300
142 HA LEU 18 HA LEU 18 -0.639 6.509 3.593
143 1HB LEU 18 1HB LEU 18 -1.436 8.679 2.657
144 2HB LEU 18 2HB LEU 18 -0.576 8.322 1.185
145 HG LEU 18 HG LEU 18 -2.632 6.407 2.217
146 1HD1 LEU 18 1HD1 LEU 18 -4.380 7.670 1.669
147 2HD1 LEU 18 2HD1 LEU 18 -3.604 8.252 0.199
148 3HD1 LEU 18 3HD1 LEU 18 -3.264 9.035 1.744
149 1HD2 LEU 18 1HD2 LEU 18 -1.768 5.366 0.441
150 2HD2 LEU 18 2HD2 LEU 18 -1.121 6.857 -0.253
151 3HD2 LEU 18 3HD2 LEU 18 -2.824 6.451 -0.467
152 H THR 19 H THR 19 1.724 7.445 1.110
153 HA THR 19 HA THR 19 1.460 5.160 -0.473
154 HB THR 19 HB THR 19 3.839 6.990 -0.082
155 HG1 THR 19 HG1 THR 19 2.455 8.221 -1.101
156 1HG2 THR 19 1HG2 THR 19 3.373 4.862 -2.147
157 2HG2 THR 19 2HG2 THR 19 4.757 5.060 -1.072
158 3HG2 THR 19 3HG2 THR 19 4.487 6.210 -2.382
159 H LEU 20 H LEU 20 3.312 5.782 2.453
160 HA LEU 20 HA LEU 20 5.011 3.533 2.368
161 1HB LEU 20 1HB LEU 20 5.138 5.524 3.939
162 2HB LEU 20 2HB LEU 20 3.853 4.774 4.864
163 HG LEU 20 HG LEU 20 6.024 2.910 4.416
164 1HD1 LEU 20 1HD1 LEU 20 6.707 5.484 5.829
165 2HD1 LEU 20 2HD1 LEU 20 7.413 4.903 4.320
166 3HD1 LEU 20 3HD1 LEU 20 7.690 4.020 5.821
167 1HD2 LEU 20 1HD2 LEU 20 4.872 4.114 6.930
168 2HD2 LEU 20 2HD2 LEU 20 5.865 2.660 6.824
169 3HD2 LEU 20 3HD2 LEU 20 4.256 2.682 6.104
170 H HIS 21 H HIS 21 1.693 3.981 3.408
171 HA HIS 21 HA HIS 21 1.317 1.485 4.672
172 1HB HIS 21 1HB HIS 21 -0.676 2.399 5.138
173 2HB HIS 21 2HB HIS 21 -0.151 3.832 4.303
174 HD1 HIS 21 HD1 HIS 21 -2.026 4.608 2.863
175 HD2 HIS 21 HD2 HIS 21 -1.661 0.485 2.827
176 HE1 HIS 21 HE1 HIS 21 -3.845 3.739 1.343
177 H ILE 22 H ILE 22 0.580 2.633 1.417
178 HA ILE 22 HA ILE 22 -0.664 0.319 0.499
179 HB ILE 22 HB ILE 22 0.932 2.068 -1.353
180 1HG1 ILE 22 1HG1 ILE 22 -1.890 2.764 -0.791
181 2HG1 ILE 22 2HG1 ILE 22 -0.747 3.192 0.462
182 1HG2 ILE 22 1HG2 ILE 22 -1.808 1.139 -1.945
183 2HG2 ILE 22 2HG2 ILE 22 -0.556 -0.105 -1.883
184 3HG2 ILE 22 3HG2 ILE 22 -0.395 1.252 -2.998
185 1HD1 ILE 22 1HD1 ILE 22 -1.263 4.431 -2.076
186 2HD1 ILE 22 2HD1 ILE 22 0.445 4.037 -1.884
187 3HD1 ILE 22 3HD1 ILE 22 -0.373 5.035 -0.682
188 H LEU 23 H LEU 23 2.584 0.614 1.361
189 HA LEU 23 HA LEU 23 3.895 -0.960 -0.534
190 1HB LEU 23 1HB LEU 23 4.379 -0.123 2.234
191 2HB LEU 23 2HB LEU 23 5.107 -1.663 1.829
192 HG LEU 23 HG LEU 23 5.539 0.619 -0.037
193 1HD1 LEU 23 1HD1 LEU 23 7.510 1.310 1.303
194 2HD1 LEU 23 2HD1 LEU 23 6.916 0.303 2.624
195 3HD1 LEU 23 3HD1 LEU 23 5.966 1.682 2.070
196 1HD2 LEU 23 1HD2 LEU 23 7.291 -1.638 0.929
197 2HD2 LEU 23 2HD2 LEU 23 7.687 -0.484 -0.343
198 3HD2 LEU 23 3HD2 LEU 23 6.363 -1.625 -0.570
199 H LEU 24 H LEU 24 1.881 -1.880 2.246
200 HA LEU 24 HA LEU 24 2.487 -4.642 2.187
201 1HB LEU 24 1HB LEU 24 -0.042 -4.736 3.095
202 2HB LEU 24 2HB LEU 24 1.353 -4.390 4.089
203 HG LEU 24 HG LEU 24 0.850 -1.930 3.687
204 1HD1 LEU 24 1HD1 LEU 24 -0.622 -1.835 1.893
205 2HD1 LEU 24 2HD1 LEU 24 -1.694 -1.634 3.277
206 3HD1 LEU 24 3HD1 LEU 24 -1.575 -3.201 2.476
207 1HD2 LEU 24 1HD2 LEU 24 0.280 -3.473 5.690
208 2HD2 LEU 24 2HD2 LEU 24 -1.381 -3.271 5.131
209 3HD2 LEU 24 3HD2 LEU 24 -0.427 -1.860 5.592
210 H HIS 25 H HIS 25 0.173 -2.723 0.352
211 HA HIS 25 HA HIS 25 -1.336 -4.827 -0.743
212 1HB HIS 25 1HB HIS 25 -0.720 -2.059 -1.783
213 2HB HIS 25 2HB HIS 25 -1.810 -3.166 -2.606
214 HD1 HIS 25 HD1 HIS 25 -3.549 -4.216 -0.375
215 HD2 HIS 25 HD2 HIS 25 -2.293 -0.262 -0.588
216 HE1 HIS 25 HE1 HIS 25 -5.202 -2.869 0.987
217 H GLU 26 H GLU 26 1.612 -3.215 -1.901
218 HA GLU 26 HA GLU 26 1.847 -4.543 -4.356
219 1HB GLU 26 1HB GLU 26 3.761 -3.150 -2.532
220 2HB GLU 26 2HB GLU 26 4.407 -4.097 -3.866
221 1HG GLU 26 1HG GLU 26 2.295 -2.444 -4.839
222 2HG GLU 26 2HG GLU 26 3.420 -1.459 -3.906
223 H ASN 27 H ASN 27 3.143 -5.376 -1.152
224 HA ASN 27 HA ASN 27 4.337 -7.820 -2.095
225 1HB ASN 27 1HB ASN 27 5.230 -6.451 -0.175
226 2HB ASN 27 2HB ASN 27 3.843 -6.984 0.769
227 1HD2 ASN 27 1HD2 ASN 27 4.094 -8.751 1.942
228 2HD2 ASN 27 2HD2 ASN 27 5.316 -9.952 1.712
229 H LYS 28 H LYS 28 2.671 -9.032 -2.983
230 HA LYS 28 HA LYS 28 1.056 -10.485 -1.063
231 1HB LYS 28 1HB LYS 28 -0.077 -8.314 -2.428
232 2HB LYS 28 2HB LYS 28 -0.657 -9.741 -3.275
233 1HG LYS 28 1HG LYS 28 -1.876 -10.475 -1.500
234 2HG LYS 28 2HG LYS 28 -0.795 -9.742 -0.312
235 1HD LYS 28 1HD LYS 28 -1.706 -7.508 -1.410
236 2HD LYS 28 2HD LYS 28 -3.074 -8.550 -1.806
237 1HE LYS 28 1HE LYS 28 -3.532 -8.995 0.449
238 2HE LYS 28 2HE LYS 28 -1.951 -8.416 0.973
239 1HZ LYS 28 1HZ LYS 28 -2.608 -6.173 0.397
240 2HZ LYS 28 2HZ LYS 28 -3.715 -6.837 1.489
241 3HZ LYS 28 3HZ LYS 28 -4.115 -6.717 -0.149
242 H LYS 29 H LYS 29 -0.090 -12.336 -2.088
243 HA LYS 29 HA LYS 29 1.670 -13.724 -3.839
244 1HB LYS 29 1HB LYS 29 -0.052 -15.519 -3.794
245 2HB LYS 29 2HB LYS 29 0.439 -14.978 -2.196
246 1HG LYS 29 1HG LYS 29 -1.588 -13.885 -1.811
247 2HG LYS 29 2HG LYS 29 -2.013 -13.876 -3.523
248 1HD LYS 29 1HD LYS 29 -1.639 -16.490 -2.136
249 2HD LYS 29 2HD LYS 29 -3.129 -15.584 -1.869
250 1HE LYS 29 1HE LYS 29 -3.936 -16.209 -3.845
251 2HE LYS 29 2HE LYS 29 -2.483 -15.646 -4.672
252 1HZ LYS 29 1HZ LYS 29 -2.803 -18.294 -3.361
253 2HZ LYS 29 2HZ LYS 29 -1.423 -17.757 -4.179
254 3HZ LYS 29 3HZ LYS 29 -2.864 -18.009 -5.028