Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
593700 | 2n58 RC | 25699 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 H TYR 1 1.807 0.001 0.855
2 HA TYR 1 HA TYR 1 2.230 1.028 -1.546
3 HB2 TYR 1 2HB TYR 1 3.901 -0.236 -0.120
4 HB3 TYR 1 3HB TYR 1 3.343 -1.707 -0.911
5 HD1 TYR 1 HD2 TYR 1 3.990 1.684 -2.323
6 HD2 TYR 1 HD1 TYR 1 5.104 -2.422 -2.246
7 HE1 TYR 1 HE2 TYR 1 5.567 2.083 -4.168
8 HE2 TYR 1 HE1 TYR 1 6.685 -2.033 -4.091
9 HH TYR 1 HH TYR 1 6.875 1.087 -5.720
10 H ALA 2 H ALA 2 1.963 0.587 -3.701
11 HA ALA 2 HA ALA 2 0.415 -1.817 -4.400
12 HB1 ALA 2 1HB ALA 2 -0.667 0.703 -4.348
13 HB2 ALA 2 2HB ALA 2 -0.213 0.510 -6.041
14 HB3 ALA 2 3HB ALA 2 -1.285 -0.663 -5.276
15 H GLU 3 H GLU 3 0.594 -2.469 -6.640
16 HA GLU 3 HA GLU 3 3.244 -1.847 -7.713
17 HB2 GLU 3 2HB GLU 3 1.303 -4.089 -8.283
18 HB3 GLU 3 3HB GLU 3 2.803 -3.857 -9.170
19 HG2 GLU 3 2HG GLU 3 4.116 -4.299 -7.263
20 HG3 GLU 3 3HG GLU 3 2.725 -4.174 -6.187
21 H LYS 4 H LYS 4 1.150 0.076 -8.016
22 HA LYS 4 HA LYS 4 0.207 -0.120 -10.746
23 HB2 LYS 4 2HB LYS 4 -0.970 0.988 -8.686
24 HB3 LYS 4 3HB LYS 4 0.030 2.376 -9.097
25 HG2 LYS 4 2HG LYS 4 -0.927 2.173 -11.444
26 HG3 LYS 4 3HG LYS 4 -2.114 1.072 -10.741
27 HD2 LYS 4 2HD LYS 4 -1.661 3.735 -9.470
28 HD3 LYS 4 3HD LYS 4 -2.625 3.637 -10.945
29 HE2 LYS 4 2HE LYS 4 -4.164 3.481 -9.167
30 HE3 LYS 4 3HE LYS 4 -3.973 1.838 -9.776
31 HZ1 LYS 4 3HZ LYS 4 -3.820 2.453 -7.208
32 HZ2 LYS 4 1HZ LYS 4 -2.189 2.631 -7.620
33 HZ3 LYS 4 2HZ LYS 4 -2.973 1.157 -7.889
34 H VAL 5 H VAL 5 2.036 2.412 -9.019
35 HA VAL 5 HA VAL 5 3.021 3.651 -11.335
36 HB VAL 5 HB VAL 5 3.017 4.822 -9.218
37 HG11 VAL 5 1HG1 VAL 5 3.434 2.955 -7.726
38 HG12 VAL 5 2HG1 VAL 5 5.082 2.806 -8.339
39 HG13 VAL 5 3HG1 VAL 5 4.603 4.241 -7.431
40 HG21 VAL 5 3HG2 VAL 5 4.981 4.964 -11.070
41 HG22 VAL 5 1HG2 VAL 5 4.850 6.048 -9.685
42 HG23 VAL 5 2HG2 VAL 5 5.930 4.655 -9.617
43 H ALA 6 H ALA 6 4.126 0.884 -9.549
44 HA ALA 6 HA ALA 6 6.796 0.794 -10.422
45 HB1 ALA 6 1HB ALA 6 4.873 -1.215 -9.350
46 HB2 ALA 6 2HB ALA 6 6.400 -1.767 -10.040
47 HB3 ALA 6 3HB ALA 6 6.401 -0.646 -8.678
48 H GLN 7 H GLN 7 4.205 -1.380 -11.549
49 HA GLN 7 HA GLN 7 5.522 -2.227 -13.850
50 HB2 GLN 7 2HB GLN 7 3.360 -3.051 -14.608
51 HB3 GLN 7 3HB GLN 7 3.569 -3.374 -12.892
52 HG2 GLN 7 2HG GLN 7 2.271 -1.165 -12.561
53 HG3 GLN 7 3HG GLN 7 1.772 -1.403 -14.235
54 HE21 GLN 7 1HE2 GLN 7 -0.323 -1.901 -13.976
55 HE22 GLN 7 2HE2 GLN 7 -0.908 -3.256 -13.078
56 H GLU 8 H GLU 8 3.734 0.674 -13.223
57 HA GLU 8 HA GLU 8 3.012 1.446 -15.797
58 HB2 GLU 8 2HB GLU 8 3.589 2.884 -13.256
59 HB3 GLU 8 3HB GLU 8 3.523 3.838 -14.731
60 HG2 GLU 8 2HG GLU 8 1.325 1.971 -13.894
61 HG3 GLU 8 3HG GLU 8 1.385 3.668 -13.419
62 H LYS 9 H LYS 9 5.918 2.486 -14.005
63 HA LYS 9 HA LYS 9 7.162 3.720 -16.201
64 HB2 LYS 9 2HB LYS 9 7.679 3.838 -13.638
65 HB3 LYS 9 3HB LYS 9 8.751 2.486 -13.979
66 HG2 LYS 9 2HG LYS 9 10.130 4.347 -14.129
67 HG3 LYS 9 3HG LYS 9 9.740 3.980 -15.810
68 HD2 LYS 9 2HD LYS 9 9.461 6.292 -15.670
69 HD3 LYS 9 3HD LYS 9 7.818 5.664 -15.515
70 HE2 LYS 9 2HE LYS 9 8.054 5.824 -13.046
71 HE3 LYS 9 3HE LYS 9 9.627 6.585 -13.283
72 HZ1 LYS 9 3HZ LYS 9 7.828 8.195 -12.922
73 HZ2 LYS 9 1HZ LYS 9 7.060 7.652 -14.328
74 HZ3 LYS 9 2HZ LYS 9 8.573 8.400 -14.426
75 H GLY 10 H GLY 10 8.171 0.678 -14.622
76 HA2 GLY 10 2HA GLY 10 8.211 -0.964 -16.836
77 HA3 GLY 10 3HA GLY 10 9.751 -0.117 -16.863
78 H PHE 11 H PHE 11 11.152 -1.703 -16.339
79 HA PHE 11 HA PHE 11 10.600 -3.307 -13.943
80 HB2 PHE 11 2HB PHE 11 11.124 -4.500 -16.077
81 HB3 PHE 11 3HB PHE 11 12.719 -3.756 -16.052
82 HD1 PHE 11 HD1 PHE 11 14.355 -4.386 -14.336
83 HD2 PHE 11 HD2 PHE 11 10.585 -6.335 -14.656
84 HE1 PHE 11 HE1 PHE 11 15.196 -6.232 -12.943
85 HE2 PHE 11 HE2 PHE 11 11.419 -8.184 -13.263
86 HZ PHE 11 HZ PHE 11 13.727 -8.134 -12.404
87 H LEU 12 H LEU 12 13.312 -1.610 -15.514
88 HA LEU 12 HA LEU 12 15.136 -1.717 -13.443
89 HB2 LEU 12 2HB LEU 12 14.718 0.611 -15.311
90 HB3 LEU 12 3HB LEU 12 16.195 0.222 -14.431
91 HG LEU 12 HG LEU 12 15.016 -1.608 -16.510
92 HD11 LEU 12 1HD1 LEU 12 17.135 -0.518 -17.753
93 HD12 LEU 12 2HD1 LEU 12 16.571 0.876 -16.832
94 HD13 LEU 12 3HD1 LEU 12 15.481 0.060 -17.953
95 HD21 LEU 12 3HD2 LEU 12 16.538 -2.826 -15.263
96 HD22 LEU 12 1HD2 LEU 12 17.590 -1.435 -14.996
97 HD23 LEU 12 2HD2 LEU 12 17.538 -2.210 -16.579
98 H TYR 13 H TYR 13 12.398 0.434 -13.878
99 HA TYR 13 HA TYR 13 12.996 2.364 -11.959
100 HB2 TYR 13 2HB TYR 13 11.163 2.722 -13.461
101 HB3 TYR 13 3HB TYR 13 10.341 1.272 -12.898
102 HD1 TYR 13 HD2 TYR 13 11.185 4.754 -12.094
103 HD2 TYR 13 HD1 TYR 13 9.074 1.277 -10.845
104 HE1 TYR 13 HE2 TYR 13 9.958 6.099 -10.440
105 HE2 TYR 13 HE1 TYR 13 7.840 2.614 -9.189
106 HH TYR 13 HH TYR 13 8.748 5.767 -8.329
107 H ARG 14 H ARG 14 11.310 -0.737 -11.616
108 HA ARG 14 HA ARG 14 10.562 -0.536 -8.949
109 HB2 ARG 14 2HB ARG 14 11.149 -2.807 -10.790
110 HB3 ARG 14 3HB ARG 14 10.992 -3.154 -9.073
111 HG2 ARG 14 2HG ARG 14 8.784 -1.729 -9.352
112 HG3 ARG 14 3HG ARG 14 8.947 -2.263 -11.026
113 HD2 ARG 14 2HD ARG 14 9.337 -4.605 -9.886
114 HD3 ARG 14 3HD ARG 14 8.454 -3.854 -8.557
115 HE ARG 14 HE ARG 14 7.125 -3.520 -11.061
116 HH11 ARG 14 1HH1 ARG 14 7.683 -5.756 -8.451
117 HH12 ARG 14 2HH1 ARG 14 6.208 -6.627 -8.709
118 HH21 ARG 14 1HH2 ARG 14 5.179 -4.659 -11.409
119 HH22 ARG 14 2HH2 ARG 14 4.785 -6.003 -10.392
120 H LEU 15 H LEU 15 13.678 -1.183 -10.364
121 HA LEU 15 HA LEU 15 14.890 -2.152 -7.953
122 HB2 LEU 15 2HB LEU 15 16.324 -0.995 -10.327
123 HB3 LEU 15 3HB LEU 15 16.927 -2.166 -9.155
124 HG LEU 15 HG LEU 15 14.750 -2.725 -11.167
125 HD11 LEU 15 1HD1 LEU 15 16.769 -2.365 -12.380
126 HD12 LEU 15 2HD1 LEU 15 16.517 -4.107 -12.269
127 HD13 LEU 15 3HD1 LEU 15 17.701 -3.319 -11.226
128 HD21 LEU 15 3HD2 LEU 15 15.162 -5.064 -10.548
129 HD22 LEU 15 1HD2 LEU 15 14.602 -4.107 -9.177
130 HD23 LEU 15 2HD2 LEU 15 16.309 -4.529 -9.319
131 H THR 16 H THR 16 14.086 -0.361 -6.596
132 HA THR 16 HA THR 16 16.082 1.776 -6.496
133 HB THR 16 HB THR 16 14.096 3.324 -5.795
134 HG1 THR 16 HG1 THR 16 12.799 1.396 -7.450
135 HG21 THR 16 3HG2 THR 16 13.682 3.618 -8.427
136 HG22 THR 16 1HG2 THR 16 15.126 2.607 -8.477
137 HG23 THR 16 2HG2 THR 16 15.160 4.151 -7.625
138 H SER 17 H SER 17 16.216 2.827 -4.409
139 HA SER 17 HA SER 17 16.268 1.088 -2.261
140 HB2 SER 17 2HB SER 17 17.268 3.516 -2.613
141 HB3 SER 17 3HB SER 17 15.822 3.994 -1.724
142 HG SER 17 HG SER 17 18.074 2.655 -0.857
143 H ARG 18 H ARG 18 13.806 3.538 -3.027
144 HA ARG 18 HA ARG 18 12.134 3.199 -0.858
145 HB2 ARG 18 2HB ARG 18 11.704 4.036 -3.690
146 HB3 ARG 18 3HB ARG 18 10.293 3.727 -2.688
147 HG2 ARG 18 2HG ARG 18 10.630 5.996 -2.423
148 HG3 ARG 18 3HG ARG 18 11.424 5.317 -1.001
149 HD2 ARG 18 2HD ARG 18 13.529 5.787 -1.783
150 HD3 ARG 18 3HD ARG 18 13.032 5.719 -3.473
151 HE ARG 18 HE ARG 18 12.572 7.956 -3.385
152 HH11 ARG 18 1HH1 ARG 18 12.795 6.718 -0.139
153 HH12 ARG 18 2HH1 ARG 18 12.697 8.281 0.603
154 HH21 ARG 18 1HH2 ARG 18 12.442 10.019 -2.420
155 HH22 ARG 18 2HH2 ARG 18 12.495 10.157 -0.695
156 H TYR 19 H TYR 19 12.089 1.425 -3.939
157 HA TYR 19 HA TYR 19 9.898 -0.226 -3.340
158 HB2 TYR 19 2HB TYR 19 10.630 -0.052 -5.611
159 HB3 TYR 19 3HB TYR 19 12.246 -0.612 -5.198
160 HD1 TYR 19 HD1 TYR 19 8.712 -1.665 -5.510
161 HD2 TYR 19 HD2 TYR 19 12.758 -2.924 -5.131
162 HE1 TYR 19 HE1 TYR 19 8.035 -3.973 -6.022
163 HE2 TYR 19 HE2 TYR 19 12.093 -5.236 -5.644
164 HH TYR 19 HH TYR 19 9.845 -6.600 -5.399
165 H ARG 20 H ARG 20 13.382 -0.718 -2.890
166 HA ARG 20 HA ARG 20 13.205 -3.347 -1.884
167 HB2 ARG 20 2HB ARG 20 15.296 -1.193 -1.605
168 HB3 ARG 20 3HB ARG 20 15.488 -2.787 -0.887
169 HG2 ARG 20 2HG ARG 20 15.828 -3.804 -2.888
170 HG3 ARG 20 3HG ARG 20 14.807 -2.664 -3.767
171 HD2 ARG 20 2HD ARG 20 16.621 -1.563 -4.417
172 HD3 ARG 20 3HD ARG 20 16.997 -1.208 -2.731
173 HE ARG 20 HE ARG 20 18.268 -3.154 -4.416
174 HH11 ARG 20 1HH1 ARG 20 17.520 -2.276 -1.131
175 HH12 ARG 20 2HH1 ARG 20 18.844 -3.166 -0.454
176 HH21 ARG 20 1HH2 ARG 20 20.014 -4.329 -3.537
177 HH22 ARG 20 2HH2 ARG 20 20.263 -4.332 -1.824
178 H HIS 21 H HIS 21 12.724 -0.233 -0.429
179 HA HIS 21 HA HIS 21 13.021 -1.061 2.282
180 HB2 HIS 21 2HB HIS 21 12.934 1.353 1.116
181 HB3 HIS 21 3HB HIS 21 11.254 1.238 1.632
182 HD1 HIS 21 HD1 HIS 21 14.312 0.053 3.537
183 HD2 HIS 21 HD2 HIS 21 11.267 2.866 3.816
184 HE1 HIS 21 HE1 HIS 21 14.569 1.099 5.809
185 H TYR 22 H TYR 22 10.094 -0.133 0.460
186 HA TYR 22 HA TYR 22 8.239 -1.013 2.332
187 HB2 TYR 22 2HB TYR 22 7.887 -1.016 -0.672
188 HB3 TYR 22 3HB TYR 22 6.606 -0.961 0.534
189 HD1 TYR 22 HD1 TYR 22 7.235 1.059 2.374
190 HD2 TYR 22 HD2 TYR 22 8.116 0.981 -1.788
191 HE1 TYR 22 HE1 TYR 22 7.314 3.517 2.351
192 HE2 TYR 22 HE2 TYR 22 8.199 3.439 -1.822
193 HH TYR 22 HH TYR 22 8.007 5.326 1.127
194 H ALA 23 H ALA 23 10.153 -2.807 0.080
195 HA ALA 23 HA ALA 23 8.562 -5.170 0.028
196 HB1 ALA 23 1HB ALA 23 10.076 -4.852 -1.764
197 HB2 ALA 23 2HB ALA 23 11.441 -4.641 -0.667
198 HB3 ALA 23 3HB ALA 23 10.683 -6.224 -0.837
199 H ALA 24 H ALA 24 10.894 -3.868 2.229
200 HA ALA 24 HA ALA 24 11.402 -6.388 3.555
201 HB1 ALA 24 1HB ALA 24 13.169 -4.718 3.432
202 HB2 ALA 24 2HB ALA 24 12.170 -3.578 4.335
203 HB3 ALA 24 3HB ALA 24 12.742 -5.055 5.110
204 H PHE 25 H PHE 25 9.344 -3.588 3.976
205 HA PHE 25 HA PHE 25 8.438 -4.518 6.586
206 HB2 PHE 25 2HB PHE 25 7.789 -2.054 4.962
207 HB3 PHE 25 3HB PHE 25 7.019 -2.431 6.500
208 HD1 PHE 25 HD1 PHE 25 8.254 -2.288 8.578
209 HD2 PHE 25 HD2 PHE 25 10.088 -1.338 4.857
210 HE1 PHE 25 HE1 PHE 25 10.105 -1.194 9.774
211 HE2 PHE 25 HE2 PHE 25 11.942 -0.244 6.046
212 HZ PHE 25 HZ PHE 25 11.953 -0.171 8.508
213 H GLU 26 H GLU 26 6.732 -3.375 3.668
214 HA GLU 26 HA GLU 26 4.271 -4.488 4.215
215 HB2 GLU 26 2HB GLU 26 5.488 -4.244 1.460
216 HB3 GLU 26 3HB GLU 26 3.776 -4.285 1.855
217 HG2 GLU 26 2HG GLU 26 5.758 -2.094 2.320
218 HG3 GLU 26 3HG GLU 26 4.225 -2.040 1.452
219 H ARG 27 H ARG 27 6.923 -5.938 2.337
220 HA ARG 27 HA ARG 27 5.543 -8.526 2.481
221 HB2 ARG 27 2HB ARG 27 7.967 -7.890 0.808
222 HB3 ARG 27 3HB ARG 27 6.844 -9.230 0.625
223 HG2 ARG 27 2HG ARG 27 5.125 -7.235 0.281
224 HG3 ARG 27 3HG ARG 27 6.597 -6.412 -0.240
225 HD2 ARG 27 2HD ARG 27 6.929 -8.660 -1.600
226 HD3 ARG 27 3HD ARG 27 5.173 -8.721 -1.453
227 HE ARG 27 HE ARG 27 5.871 -6.168 -2.332
228 HH11 ARG 27 1HH1 ARG 27 5.981 -9.460 -3.458
229 HH12 ARG 27 2HH1 ARG 27 5.847 -9.030 -5.131
230 HH21 ARG 27 1HH2 ARG 27 5.695 -5.588 -4.531
231 HH22 ARG 27 2HH2 ARG 27 5.686 -6.827 -5.740
232 H ALA 28 H ALA 28 6.690 -7.651 4.838
233 HA ALA 28 HA ALA 28 9.308 -8.311 5.381
234 HB1 ALA 28 1HB ALA 28 7.982 -7.256 7.055
235 HB2 ALA 28 2HB ALA 28 6.863 -8.619 7.111
236 HB3 ALA 28 3HB ALA 28 8.514 -8.808 7.702
237 H THR 29 H THR 29 6.588 -10.492 6.133
238 HA THR 29 HA THR 29 8.317 -12.773 6.251
239 HB THR 29 HB THR 29 6.216 -12.500 7.618
240 HG1 THR 29 HG1 THR 29 6.545 -14.836 6.018
241 HG21 THR 29 3HG2 THR 29 4.089 -12.984 6.653
242 HG22 THR 29 1HG2 THR 29 4.817 -13.393 5.100
243 HG23 THR 29 2HG2 THR 29 4.826 -11.723 5.666
244 H PHE 30 H PHE 30 6.157 -11.378 3.873
245 HA PHE 30 HA PHE 30 6.797 -13.588 2.035
246 HB2 PHE 30 2HB PHE 30 4.774 -13.055 0.821
247 HB3 PHE 30 3HB PHE 30 4.378 -13.251 2.525
248 HD1 PHE 30 HD1 PHE 30 3.802 -11.312 3.898
249 HD2 PHE 30 HD2 PHE 30 4.549 -10.944 -0.276
250 HE1 PHE 30 HE1 PHE 30 2.740 -9.093 3.907
251 HE2 PHE 30 HE2 PHE 30 3.489 -8.724 -0.274
252 HZ PHE 30 HZ PHE 30 2.583 -7.795 1.820
Start of MODEL 2
1 H1 TYR 1 H TYR 1 -1.237 -3.445 -3.606
2 HA TYR 1 HA TYR 1 0.828 -2.174 -1.946
3 HB2 TYR 1 2HB TYR 1 0.852 -4.697 -2.514
4 HB3 TYR 1 3HB TYR 1 1.367 -4.185 -4.117
5 HD1 TYR 1 HD1 TYR 1 3.487 -2.779 -4.297
6 HD2 TYR 1 HD2 TYR 1 2.402 -4.891 -0.766
7 HE1 TYR 1 HE1 TYR 1 5.815 -2.653 -3.514
8 HE2 TYR 1 HE2 TYR 1 4.727 -4.770 0.027
9 HH TYR 1 HH TYR 1 7.064 -2.760 -1.428
10 H ALA 2 H ALA 2 -0.040 -2.713 -5.355
11 HA ALA 2 HA ALA 2 0.794 -0.031 -6.025
12 HB1 ALA 2 1HB ALA 2 2.138 -2.217 -7.568
13 HB2 ALA 2 2HB ALA 2 2.559 -0.507 -7.457
14 HB3 ALA 2 3HB ALA 2 2.858 -1.579 -6.089
15 H GLU 3 H GLU 3 -0.029 0.691 -8.001
16 HA GLU 3 HA GLU 3 -1.866 -1.179 -9.348
17 HB2 GLU 3 2HB GLU 3 -3.005 0.564 -7.950
18 HB3 GLU 3 3HB GLU 3 -2.300 1.790 -8.994
19 HG2 GLU 3 2HG GLU 3 -4.682 1.139 -9.483
20 HG3 GLU 3 3HG GLU 3 -3.565 1.095 -10.846
21 H LYS 4 H LYS 4 -0.629 2.107 -9.964
22 HA LYS 4 HA LYS 4 0.322 1.160 -12.586
23 HB2 LYS 4 2HB LYS 4 -0.335 3.302 -13.561
24 HB3 LYS 4 3HB LYS 4 -1.725 2.485 -12.859
25 HG2 LYS 4 2HG LYS 4 -0.266 4.434 -11.165
26 HG3 LYS 4 3HG LYS 4 -1.266 5.058 -12.478
27 HD2 LYS 4 2HD LYS 4 -2.432 2.982 -10.697
28 HD3 LYS 4 3HD LYS 4 -2.250 4.617 -10.057
29 HE2 LYS 4 2HE LYS 4 -3.465 4.275 -12.752
30 HE3 LYS 4 3HE LYS 4 -4.435 3.863 -11.339
31 HZ1 LYS 4 3HZ LYS 4 -3.320 6.278 -10.719
32 HZ2 LYS 4 1HZ LYS 4 -4.911 6.015 -11.230
33 HZ3 LYS 4 2HZ LYS 4 -3.719 6.433 -12.356
34 H VAL 5 H VAL 5 1.691 1.564 -9.977
35 HA VAL 5 HA VAL 5 3.636 3.615 -10.817
36 HB VAL 5 HB VAL 5 2.498 4.171 -8.700
37 HG11 VAL 5 1HG1 VAL 5 3.804 1.673 -7.627
38 HG12 VAL 5 2HG1 VAL 5 2.848 2.838 -6.709
39 HG13 VAL 5 3HG1 VAL 5 2.082 1.857 -7.959
40 HG21 VAL 5 3HG2 VAL 5 4.373 5.082 -7.842
41 HG22 VAL 5 1HG2 VAL 5 5.205 3.530 -7.742
42 HG23 VAL 5 2HG2 VAL 5 5.133 4.394 -9.278
43 H ALA 6 H ALA 6 3.128 0.324 -9.877
44 HA ALA 6 HA ALA 6 5.956 -0.238 -9.554
45 HB1 ALA 6 1HB ALA 6 3.503 -1.978 -9.438
46 HB2 ALA 6 2HB ALA 6 5.145 -2.602 -9.272
47 HB3 ALA 6 3HB ALA 6 4.519 -1.443 -8.099
48 H GLN 7 H GLN 7 3.412 -1.655 -11.622
49 HA GLN 7 HA GLN 7 5.151 -2.890 -13.422
50 HB2 GLN 7 2HB GLN 7 2.852 -3.550 -13.367
51 HB3 GLN 7 3HB GLN 7 2.313 -1.921 -13.755
52 HG2 GLN 7 2HG GLN 7 2.922 -2.107 -15.978
53 HG3 GLN 7 3HG GLN 7 4.049 -3.426 -15.663
54 HE21 GLN 7 1HE2 GLN 7 2.917 -4.401 -17.494
55 HE22 GLN 7 2HE2 GLN 7 1.461 -5.282 -17.196
56 H GLU 8 H GLU 8 4.152 0.407 -13.153
57 HA GLU 8 HA GLU 8 4.808 1.174 -15.830
58 HB2 GLU 8 2HB GLU 8 4.005 2.557 -13.333
59 HB3 GLU 8 3HB GLU 8 4.911 3.510 -14.501
60 HG2 GLU 8 2HG GLU 8 2.494 1.935 -15.307
61 HG3 GLU 8 3HG GLU 8 2.360 3.554 -14.621
62 H LYS 9 H LYS 9 6.524 2.750 -16.343
63 HA LYS 9 HA LYS 9 8.720 3.321 -16.490
64 HB2 LYS 9 2HB LYS 9 8.728 2.854 -13.502
65 HB3 LYS 9 3HB LYS 9 9.933 3.754 -14.413
66 HG2 LYS 9 2HG LYS 9 7.032 4.533 -14.300
67 HG3 LYS 9 3HG LYS 9 8.250 5.138 -13.175
68 HD2 LYS 9 2HD LYS 9 9.549 5.805 -15.310
69 HD3 LYS 9 3HD LYS 9 7.993 5.618 -16.122
70 HE2 LYS 9 2HE LYS 9 8.296 7.307 -13.659
71 HE3 LYS 9 3HE LYS 9 8.634 7.949 -15.265
72 HZ1 LYS 9 3HZ LYS 9 6.450 7.851 -15.867
73 HZ2 LYS 9 1HZ LYS 9 6.267 8.146 -14.211
74 HZ3 LYS 9 2HZ LYS 9 6.083 6.577 -14.816
75 H GLY 10 H GLY 10 7.937 0.542 -16.815
76 HA2 GLY 10 2HA GLY 10 8.925 -1.504 -17.133
77 HA3 GLY 10 3HA GLY 10 10.455 -0.642 -17.083
78 H PHE 11 H PHE 11 10.992 -2.846 -16.120
79 HA PHE 11 HA PHE 11 10.180 -3.250 -13.380
80 HB2 PHE 11 2HB PHE 11 10.540 -5.220 -14.707
81 HB3 PHE 11 3HB PHE 11 12.156 -4.686 -15.158
82 HD1 PHE 11 HD1 PHE 11 10.085 -6.016 -12.427
83 HD2 PHE 11 HD2 PHE 11 14.019 -5.024 -13.716
84 HE1 PHE 11 HE1 PHE 11 11.019 -7.243 -10.510
85 HE2 PHE 11 HE2 PHE 11 14.959 -6.251 -11.801
86 HZ PHE 11 HZ PHE 11 13.459 -7.363 -10.196
87 H LEU 12 H LEU 12 12.944 -1.967 -15.103
88 HA LEU 12 HA LEU 12 14.884 -1.965 -13.141
89 HB2 LEU 12 2HB LEU 12 14.358 0.296 -15.061
90 HB3 LEU 12 3HB LEU 12 15.890 -0.105 -14.288
91 HG LEU 12 HG LEU 12 14.656 -2.173 -16.022
92 HD11 LEU 12 1HD1 LEU 12 15.822 0.406 -17.027
93 HD12 LEU 12 2HD1 LEU 12 14.294 -0.355 -17.469
94 HD13 LEU 12 3HD1 LEU 12 15.819 -1.073 -17.988
95 HD21 LEU 12 3HD2 LEU 12 17.366 -1.291 -15.161
96 HD22 LEU 12 1HD2 LEU 12 17.199 -2.158 -16.688
97 HD23 LEU 12 2HD2 LEU 12 16.657 -2.906 -15.185
98 H TYR 13 H TYR 13 12.042 0.033 -13.427
99 HA TYR 13 HA TYR 13 12.766 2.091 -11.654
100 HB2 TYR 13 2HB TYR 13 10.858 2.403 -13.060
101 HB3 TYR 13 3HB TYR 13 10.075 0.960 -12.426
102 HD1 TYR 13 HD1 TYR 13 10.880 4.476 -11.783
103 HD2 TYR 13 HD2 TYR 13 8.954 0.995 -10.275
104 HE1 TYR 13 HE1 TYR 13 9.721 5.851 -10.106
105 HE2 TYR 13 HE2 TYR 13 7.789 2.361 -8.594
106 HH TYR 13 HH TYR 13 8.669 5.520 -7.862
107 H ARG 14 H ARG 14 11.105 -0.995 -11.108
108 HA ARG 14 HA ARG 14 10.515 -0.688 -8.407
109 HB2 ARG 14 2HB ARG 14 11.285 -3.234 -9.847
110 HB3 ARG 14 3HB ARG 14 10.438 -3.139 -8.308
111 HG2 ARG 14 2HG ARG 14 9.070 -1.598 -10.318
112 HG3 ARG 14 3HG ARG 14 9.316 -3.261 -10.853
113 HD2 ARG 14 2HD ARG 14 7.302 -3.398 -9.724
114 HD3 ARG 14 3HD ARG 14 8.461 -3.884 -8.487
115 HE ARG 14 HE ARG 14 7.847 -1.069 -8.496
116 HH11 ARG 14 1HH1 ARG 14 6.957 -4.211 -7.289
117 HH12 ARG 14 2HH1 ARG 14 6.137 -3.588 -5.896
118 HH21 ARG 14 1HH2 ARG 14 6.771 -0.236 -6.665
119 HH22 ARG 14 2HH2 ARG 14 6.031 -1.326 -5.542
120 H LEU 15 H LEU 15 13.536 -1.341 -9.982
121 HA LEU 15 HA LEU 15 14.880 -2.262 -7.610
122 HB2 LEU 15 2HB LEU 15 16.111 -1.268 -10.172
123 HB3 LEU 15 3HB LEU 15 16.867 -2.283 -8.946
124 HG LEU 15 HG LEU 15 14.517 -3.168 -10.611
125 HD11 LEU 15 1HD1 LEU 15 17.448 -3.705 -11.072
126 HD12 LEU 15 2HD1 LEU 15 16.426 -2.661 -12.060
127 HD13 LEU 15 3HD1 LEU 15 16.103 -4.393 -11.982
128 HD21 LEU 15 3HD2 LEU 15 16.409 -4.523 -8.713
129 HD22 LEU 15 1HD2 LEU 15 15.493 -5.424 -9.922
130 HD23 LEU 15 2HD2 LEU 15 14.645 -4.496 -8.685
131 H THR 16 H THR 16 13.861 -0.149 -6.606
132 HA THR 16 HA THR 16 15.916 1.961 -6.743
133 HB THR 16 HB THR 16 13.991 3.397 -5.718
134 HG1 THR 16 HG1 THR 16 11.944 2.622 -6.715
135 HG21 THR 16 3HG2 THR 16 14.588 2.665 -8.512
136 HG22 THR 16 1HG2 THR 16 14.578 4.246 -7.732
137 HG23 THR 16 2HG2 THR 16 13.062 3.509 -8.252
138 H SER 17 H SER 17 15.892 3.320 -4.643
139 HA SER 17 HA SER 17 16.604 1.583 -2.508
140 HB2 SER 17 2HB SER 17 17.509 3.953 -3.078
141 HB3 SER 17 3HB SER 17 16.125 4.530 -2.150
142 HG SER 17 HG SER 17 18.054 4.247 -0.890
143 H ARG 18 H ARG 18 13.806 3.610 -3.189
144 HA ARG 18 HA ARG 18 12.568 3.382 -0.665
145 HB2 ARG 18 2HB ARG 18 11.133 3.713 -3.298
146 HB3 ARG 18 3HB ARG 18 10.606 4.252 -1.709
147 HG2 ARG 18 2HG ARG 18 12.917 5.343 -3.300
148 HG3 ARG 18 3HG ARG 18 11.368 6.134 -3.003
149 HD2 ARG 18 2HD ARG 18 11.905 5.992 -0.542
150 HD3 ARG 18 3HD ARG 18 13.529 5.488 -1.009
151 HE ARG 18 HE ARG 18 12.944 7.853 -2.366
152 HH11 ARG 18 1HH1 ARG 18 13.430 6.747 0.899
153 HH12 ARG 18 2HH1 ARG 18 14.037 8.268 1.463
154 HH21 ARG 18 1HH2 ARG 18 13.742 9.861 -1.636
155 HH22 ARG 18 2HH2 ARG 18 14.213 10.039 0.021
156 H TYR 19 H TYR 19 12.134 1.538 -3.674
157 HA TYR 19 HA TYR 19 10.102 -0.156 -2.884
158 HB2 TYR 19 2HB TYR 19 10.828 -0.166 -5.165
159 HB3 TYR 19 3HB TYR 19 12.455 -0.659 -4.710
160 HD1 TYR 19 HD2 TYR 19 8.919 -1.822 -4.682
161 HD2 TYR 19 HD1 TYR 19 13.029 -2.922 -4.682
162 HE1 TYR 19 HE2 TYR 19 8.282 -4.178 -4.989
163 HE2 TYR 19 HE1 TYR 19 12.404 -5.281 -4.989
164 HH TYR 19 HH TYR 19 9.164 -6.381 -4.664
165 H ARG 20 H ARG 20 13.608 -0.750 -2.617
166 HA ARG 20 HA ARG 20 13.474 -3.208 -1.323
167 HB2 ARG 20 2HB ARG 20 15.557 -1.033 -1.054
168 HB3 ARG 20 3HB ARG 20 15.760 -2.690 -0.502
169 HG2 ARG 20 2HG ARG 20 15.126 -3.201 -3.029
170 HG3 ARG 20 3HG ARG 20 15.797 -1.583 -3.246
171 HD2 ARG 20 2HD ARG 20 17.607 -3.061 -3.538
172 HD3 ARG 20 3HD ARG 20 17.800 -2.391 -1.919
173 HE ARG 20 HE ARG 20 16.346 -4.770 -1.715
174 HH11 ARG 20 1HH1 ARG 20 19.542 -3.685 -2.568
175 HH12 ARG 20 2HH1 ARG 20 20.316 -5.150 -2.060
176 HH21 ARG 20 1HH2 ARG 20 17.353 -6.703 -1.043
177 HH22 ARG 20 2HH2 ARG 20 19.070 -6.866 -1.194
178 H HIS 21 H HIS 21 12.918 -0.011 -0.116
179 HA HIS 21 HA HIS 21 13.115 -0.815 2.666
180 HB2 HIS 21 2HB HIS 21 12.574 1.766 1.241
181 HB3 HIS 21 3HB HIS 21 12.160 1.607 2.945
182 HD1 HIS 21 HD1 HIS 21 14.524 0.181 4.101
183 HD2 HIS 21 HD2 HIS 21 14.899 3.137 1.206
184 HE1 HIS 21 HE1 HIS 21 16.869 1.057 4.336
185 H TYR 22 H TYR 22 10.716 -0.541 0.209
186 HA TYR 22 HA TYR 22 8.485 -0.435 2.043
187 HB2 TYR 22 2HB TYR 22 8.712 -0.693 -0.950
188 HB3 TYR 22 3HB TYR 22 7.167 -0.837 -0.119
189 HD1 TYR 22 HD2 TYR 22 7.166 1.210 1.872
190 HD2 TYR 22 HD1 TYR 22 8.820 1.333 -2.047
191 HE1 TYR 22 HE2 TYR 22 6.924 3.658 1.852
192 HE2 TYR 22 HE1 TYR 22 8.583 3.781 -2.077
193 HH TYR 22 HH TYR 22 6.730 5.470 -0.445
194 H ALA 23 H ALA 23 9.865 -2.821 -0.203
195 HA ALA 23 HA ALA 23 8.061 -4.898 0.517
196 HB1 ALA 23 1HB ALA 23 8.909 -5.523 -1.457
197 HB2 ALA 23 2HB ALA 23 10.393 -4.598 -1.221
198 HB3 ALA 23 3HB ALA 23 10.230 -6.202 -0.507
199 H ALA 24 H ALA 24 10.916 -3.638 1.948
200 HA ALA 24 HA ALA 24 11.432 -6.048 3.502
201 HB1 ALA 24 1HB ALA 24 13.398 -4.954 4.293
202 HB2 ALA 24 2HB ALA 24 13.290 -4.668 2.555
203 HB3 ALA 24 3HB ALA 24 12.841 -3.393 3.688
204 H PHE 25 H PHE 25 9.058 -4.034 3.724
205 HA PHE 25 HA PHE 25 9.058 -4.032 6.650
206 HB2 PHE 25 2HB PHE 25 8.735 -1.639 4.876
207 HB3 PHE 25 3HB PHE 25 7.872 -1.706 6.409
208 HD1 PHE 25 HD1 PHE 25 11.290 -2.103 4.989
209 HD2 PHE 25 HD2 PHE 25 8.911 -0.959 8.327
210 HE1 PHE 25 HE1 PHE 25 13.309 -1.314 6.153
211 HE2 PHE 25 HE2 PHE 25 10.926 -0.168 9.496
212 HZ PHE 25 HZ PHE 25 13.129 -0.344 8.409
213 H GLU 26 H GLU 26 7.115 -3.242 3.770
214 HA GLU 26 HA GLU 26 4.592 -3.491 4.857
215 HB2 GLU 26 2HB GLU 26 5.744 -3.753 2.148
216 HB3 GLU 26 3HB GLU 26 4.171 -4.503 2.380
217 HG2 GLU 26 2HG GLU 26 4.509 -1.739 3.378
218 HG3 GLU 26 3HG GLU 26 4.466 -1.972 1.631
219 H ARG 27 H ARG 27 6.800 -6.009 3.799
220 HA ARG 27 HA ARG 27 5.183 -7.983 5.201
221 HB2 ARG 27 2HB ARG 27 5.676 -7.970 2.258
222 HB3 ARG 27 3HB ARG 27 5.682 -9.515 3.097
223 HG2 ARG 27 2HG ARG 27 3.412 -7.586 3.406
224 HG3 ARG 27 3HG ARG 27 3.491 -8.713 2.051
225 HD2 ARG 27 2HD ARG 27 3.893 -10.491 3.910
226 HD3 ARG 27 3HD ARG 27 3.188 -9.274 4.972
227 HE ARG 27 HE ARG 27 1.464 -9.524 2.829
228 HH11 ARG 27 1HH1 ARG 27 2.722 -11.572 5.347
229 HH12 ARG 27 2HH1 ARG 27 1.315 -12.581 5.409
230 HH21 ARG 27 1HH2 ARG 27 -0.394 -10.844 2.901
231 HH22 ARG 27 2HH2 ARG 27 -0.457 -12.167 4.017
232 H ALA 28 H ALA 28 8.115 -7.333 3.320
233 HA ALA 28 HA ALA 28 10.280 -7.977 3.597
234 HB1 ALA 28 1HB ALA 28 10.773 -7.353 5.674
235 HB2 ALA 28 2HB ALA 28 9.182 -7.827 6.270
236 HB3 ALA 28 3HB ALA 28 10.474 -9.022 6.160
237 H THR 29 H THR 29 7.990 -9.953 3.005
238 HA THR 29 HA THR 29 8.997 -12.487 3.917
239 HB THR 29 HB THR 29 6.564 -11.994 3.380
240 HG1 THR 29 HG1 THR 29 6.257 -14.116 2.751
241 HG21 THR 29 3HG2 THR 29 7.322 -12.598 0.539
242 HG22 THR 29 1HG2 THR 29 7.230 -10.938 1.125
243 HG23 THR 29 2HG2 THR 29 5.800 -11.970 1.170
244 H PHE 30 H PHE 30 9.349 -10.488 1.078
245 HA PHE 30 HA PHE 30 10.234 -12.287 -0.811
246 HB2 PHE 30 2HB PHE 30 11.438 -9.551 -0.366
247 HB3 PHE 30 3HB PHE 30 11.368 -10.449 -1.879
248 HD1 PHE 30 HD1 PHE 30 9.159 -10.814 -2.980
249 HD2 PHE 30 HD2 PHE 30 9.651 -8.193 0.337
250 HE1 PHE 30 HE1 PHE 30 7.021 -9.725 -3.528
251 HE2 PHE 30 HE2 PHE 30 7.514 -7.100 -0.205
252 HZ PHE 30 HZ PHE 30 6.196 -7.866 -2.139
Start of MODEL 3
1 H1 TYR 1 H TYR 1 3.241 -5.845 -4.752
2 HA TYR 1 HA TYR 1 0.297 -5.964 -4.767
3 HB2 TYR 1 2HB TYR 1 0.420 -4.188 -2.947
4 HB3 TYR 1 3HB TYR 1 0.872 -5.822 -2.473
5 HD1 TYR 1 HD1 TYR 1 3.179 -6.370 -1.935
6 HD2 TYR 1 HD2 TYR 1 2.081 -2.420 -3.073
7 HE1 TYR 1 HE1 TYR 1 5.337 -5.536 -1.100
8 HE2 TYR 1 HE2 TYR 1 4.236 -1.575 -2.242
9 HH TYR 1 HH TYR 1 6.611 -3.755 -0.747
10 H ALA 2 H ALA 2 3.180 -3.978 -5.207
11 HA ALA 2 HA ALA 2 1.737 -1.721 -6.232
12 HB1 ALA 2 1HB ALA 2 4.453 -2.330 -5.503
13 HB2 ALA 2 2HB ALA 2 4.395 -1.512 -7.065
14 HB3 ALA 2 3HB ALA 2 3.654 -0.764 -5.650
15 H GLU 3 H GLU 3 0.609 -2.053 -8.064
16 HA GLU 3 HA GLU 3 1.948 -3.413 -10.300
17 HB2 GLU 3 2HB GLU 3 -0.923 -3.058 -9.533
18 HB3 GLU 3 3HB GLU 3 -0.508 -3.313 -11.222
19 HG2 GLU 3 2HG GLU 3 0.684 -5.388 -10.549
20 HG3 GLU 3 3HG GLU 3 0.069 -5.152 -8.915
21 H LYS 4 H LYS 4 -0.133 -0.613 -9.601
22 HA LYS 4 HA LYS 4 0.217 0.583 -12.154
23 HB2 LYS 4 2HB LYS 4 -0.667 1.786 -9.524
24 HB3 LYS 4 3HB LYS 4 -0.767 2.599 -11.080
25 HG2 LYS 4 2HG LYS 4 -2.300 0.884 -11.888
26 HG3 LYS 4 3HG LYS 4 -2.189 0.049 -10.337
27 HD2 LYS 4 2HD LYS 4 -3.035 2.921 -10.471
28 HD3 LYS 4 3HD LYS 4 -4.195 1.626 -10.775
29 HE2 LYS 4 2HE LYS 4 -2.478 1.502 -8.339
30 HE3 LYS 4 3HE LYS 4 -3.860 2.597 -8.359
31 HZ1 LYS 4 3HZ LYS 4 -4.834 0.717 -7.562
32 HZ2 LYS 4 1HZ LYS 4 -3.807 -0.330 -8.404
33 HZ3 LYS 4 2HZ LYS 4 -5.068 0.451 -9.216
34 H VAL 5 H VAL 5 1.745 1.087 -8.997
35 HA VAL 5 HA VAL 5 3.314 3.300 -9.618
36 HB VAL 5 HB VAL 5 4.052 1.017 -7.780
37 HG11 VAL 5 1HG1 VAL 5 5.224 3.688 -8.315
38 HG12 VAL 5 2HG1 VAL 5 5.167 3.144 -6.637
39 HG13 VAL 5 3HG1 VAL 5 6.007 2.178 -7.850
40 HG21 VAL 5 3HG2 VAL 5 3.144 3.246 -6.329
41 HG22 VAL 5 1HG2 VAL 5 1.971 2.981 -7.619
42 HG23 VAL 5 2HG2 VAL 5 2.360 1.675 -6.499
43 H ALA 6 H ALA 6 3.661 -0.018 -10.547
44 HA ALA 6 HA ALA 6 6.351 0.507 -11.610
45 HB1 ALA 6 1HB ALA 6 4.918 -2.109 -11.164
46 HB2 ALA 6 2HB ALA 6 6.541 -1.937 -11.835
47 HB3 ALA 6 3HB ALA 6 6.216 -1.438 -10.175
48 H GLN 7 H GLN 7 3.789 1.430 -12.797
49 HA GLN 7 HA GLN 7 3.944 -0.001 -15.367
50 HB2 GLN 7 2HB GLN 7 1.747 -0.251 -14.427
51 HB3 GLN 7 3HB GLN 7 1.636 1.473 -14.096
52 HG2 GLN 7 2HG GLN 7 0.311 0.739 -16.050
53 HG3 GLN 7 3HG GLN 7 1.505 1.981 -16.425
54 HE21 GLN 7 1HE2 GLN 7 1.436 1.378 -18.613
55 HE22 GLN 7 2HE2 GLN 7 2.235 -0.045 -19.180
56 H GLU 8 H GLU 8 4.126 3.061 -13.748
57 HA GLU 8 HA GLU 8 3.893 4.753 -15.997
58 HB2 GLU 8 2HB GLU 8 5.341 5.174 -13.377
59 HB3 GLU 8 3HB GLU 8 5.039 6.435 -14.564
60 HG2 GLU 8 2HG GLU 8 2.807 6.544 -14.094
61 HG3 GLU 8 3HG GLU 8 2.730 4.873 -13.538
62 H LYS 9 H LYS 9 6.507 2.852 -14.726
63 HA LYS 9 HA LYS 9 8.257 3.898 -16.855
64 HB2 LYS 9 2HB LYS 9 8.825 3.273 -13.996
65 HB3 LYS 9 3HB LYS 9 10.086 2.946 -15.177
66 HG2 LYS 9 2HG LYS 9 8.728 5.615 -14.992
67 HG3 LYS 9 3HG LYS 9 10.140 5.200 -14.016
68 HD2 LYS 9 2HD LYS 9 11.148 4.501 -16.334
69 HD3 LYS 9 3HD LYS 9 9.912 5.591 -16.967
70 HE2 LYS 9 2HE LYS 9 11.770 6.969 -16.710
71 HE3 LYS 9 3HE LYS 9 10.826 7.279 -15.254
72 HZ1 LYS 9 3HZ LYS 9 12.739 5.129 -15.011
73 HZ2 LYS 9 1HZ LYS 9 12.402 6.404 -13.952
74 HZ3 LYS 9 2HZ LYS 9 13.433 6.650 -15.271
75 H GLY 10 H GLY 10 8.432 1.114 -14.640
76 HA2 GLY 10 2HA GLY 10 7.693 -0.902 -16.377
77 HA3 GLY 10 3HA GLY 10 9.397 -0.614 -16.691
78 H PHE 11 H PHE 11 10.268 -2.454 -15.883
79 HA PHE 11 HA PHE 11 9.511 -3.356 -13.219
80 HB2 PHE 11 2HB PHE 11 9.742 -5.068 -14.921
81 HB3 PHE 11 3HB PHE 11 11.380 -4.534 -15.284
82 HD1 PHE 11 HD1 PHE 11 9.253 -6.195 -12.781
83 HD2 PHE 11 HD2 PHE 11 13.225 -5.231 -13.966
84 HE1 PHE 11 HE1 PHE 11 10.131 -7.777 -11.113
85 HE2 PHE 11 HE2 PHE 11 14.110 -6.811 -12.301
86 HZ PHE 11 HZ PHE 11 12.562 -8.087 -10.872
87 H LEU 12 H LEU 12 12.455 -2.360 -14.949
88 HA LEU 12 HA LEU 12 14.273 -2.528 -12.875
89 HB2 LEU 12 2HB LEU 12 14.197 -0.381 -14.989
90 HB3 LEU 12 3HB LEU 12 15.607 -0.903 -14.071
91 HG LEU 12 HG LEU 12 14.116 -2.717 -15.956
92 HD11 LEU 12 1HD1 LEU 12 16.390 -0.826 -16.481
93 HD12 LEU 12 2HD1 LEU 12 14.870 -0.990 -17.360
94 HD13 LEU 12 3HD1 LEU 12 16.096 -2.252 -17.476
95 HD21 LEU 12 3HD2 LEU 12 16.094 -4.072 -15.842
96 HD22 LEU 12 1HD2 LEU 12 15.548 -3.736 -14.198
97 HD23 LEU 12 2HD2 LEU 12 16.924 -2.858 -14.867
98 H TYR 13 H TYR 13 11.874 -0.060 -13.529
99 HA TYR 13 HA TYR 13 12.781 1.987 -11.887
100 HB2 TYR 13 2HB TYR 13 10.925 2.382 -13.349
101 HB3 TYR 13 3HB TYR 13 9.970 1.122 -12.575
102 HD1 TYR 13 HD1 TYR 13 8.929 1.509 -10.398
103 HD2 TYR 13 HD2 TYR 13 11.147 4.571 -12.349
104 HE1 TYR 13 HE1 TYR 13 7.948 3.178 -8.880
105 HE2 TYR 13 HE2 TYR 13 10.174 6.248 -10.835
106 HH TYR 13 HH TYR 13 8.298 5.351 -8.060
107 H ARG 14 H ARG 14 10.780 -0.824 -11.076
108 HA ARG 14 HA ARG 14 10.202 -0.197 -8.430
109 HB2 ARG 14 2HB ARG 14 10.750 -2.966 -9.508
110 HB3 ARG 14 3HB ARG 14 9.777 -2.553 -8.102
111 HG2 ARG 14 2HG ARG 14 8.201 -1.367 -9.601
112 HG3 ARG 14 3HG ARG 14 9.146 -1.935 -10.979
113 HD2 ARG 14 2HD ARG 14 7.524 -3.553 -10.881
114 HD3 ARG 14 3HD ARG 14 8.773 -4.280 -9.871
115 HE ARG 14 HE ARG 14 6.920 -2.700 -8.370
116 HH11 ARG 14 1HH1 ARG 14 7.448 -5.818 -9.825
117 HH12 ARG 14 2HH1 ARG 14 6.372 -6.647 -8.749
118 HH21 ARG 14 1HH2 ARG 14 5.500 -3.780 -6.948
119 HH22 ARG 14 2HH2 ARG 14 5.264 -5.487 -7.114
120 H LEU 15 H LEU 15 13.141 -1.375 -9.872
121 HA LEU 15 HA LEU 15 14.374 -2.243 -7.451
122 HB2 LEU 15 2HB LEU 15 15.713 -1.395 -10.012
123 HB3 LEU 15 3HB LEU 15 16.398 -2.403 -8.739
124 HG LEU 15 HG LEU 15 14.153 -3.153 -10.610
125 HD11 LEU 15 1HD1 LEU 15 16.266 -3.198 -11.736
126 HD12 LEU 15 2HD1 LEU 15 15.794 -4.858 -11.373
127 HD13 LEU 15 3HD1 LEU 15 17.019 -4.056 -10.391
128 HD21 LEU 15 3HD2 LEU 15 13.863 -4.091 -8.347
129 HD22 LEU 15 1HD2 LEU 15 15.476 -4.798 -8.455
130 HD23 LEU 15 2HD2 LEU 15 14.205 -5.329 -9.557
131 H THR 16 H THR 16 13.899 -0.395 -6.098
132 HA THR 16 HA THR 16 16.027 1.596 -6.253
133 HB THR 16 HB THR 16 14.369 3.412 -5.646
134 HG1 THR 16 HG1 THR 16 12.506 1.522 -6.695
135 HG21 THR 16 3HG2 THR 16 15.315 3.455 -7.826
136 HG22 THR 16 1HG2 THR 16 13.579 3.682 -8.032
137 HG23 THR 16 2HG2 THR 16 14.308 2.111 -8.364
138 H SER 17 H SER 17 16.243 2.838 -4.225
139 HA SER 17 HA SER 17 16.314 1.168 -1.988
140 HB2 SER 17 2HB SER 17 17.605 3.364 -2.463
141 HB3 SER 17 3HB SER 17 16.208 4.165 -1.744
142 HG SER 17 HG SER 17 18.237 2.856 -0.535
143 H ARG 18 H ARG 18 14.088 3.852 -2.715
144 HA ARG 18 HA ARG 18 12.508 3.738 -0.455
145 HB2 ARG 18 2HB ARG 18 11.998 4.558 -3.284
146 HB3 ARG 18 3HB ARG 18 10.643 4.468 -2.168
147 HG2 ARG 18 2HG ARG 18 11.346 6.696 -2.097
148 HG3 ARG 18 3HG ARG 18 12.007 5.964 -0.633
149 HD2 ARG 18 2HD ARG 18 14.178 5.850 -1.552
150 HD3 ARG 18 3HD ARG 18 13.587 6.178 -3.180
151 HE ARG 18 HE ARG 18 12.966 8.348 -1.496
152 HH11 ARG 18 1HH1 ARG 18 15.684 6.812 -3.038
153 HH12 ARG 18 2HH1 ARG 18 16.616 8.269 -3.139
154 HH21 ARG 18 1HH2 ARG 18 14.184 10.273 -1.624
155 HH22 ARG 18 2HH2 ARG 18 15.763 10.236 -2.334
156 H TYR 19 H TYR 19 12.084 1.948 -3.498
157 HA TYR 19 HA TYR 19 9.757 0.570 -2.769
158 HB2 TYR 19 2HB TYR 19 10.406 0.603 -5.069
159 HB3 TYR 19 3HB TYR 19 11.967 -0.125 -4.706
160 HD1 TYR 19 HD1 TYR 19 8.348 -0.765 -4.986
161 HD2 TYR 19 HD2 TYR 19 12.200 -2.494 -4.461
162 HE1 TYR 19 HE1 TYR 19 7.399 -2.994 -5.410
163 HE2 TYR 19 HE2 TYR 19 11.262 -4.728 -4.885
164 HH TYR 19 HH TYR 19 8.845 -5.463 -6.339
165 H ARG 20 H ARG 20 13.159 -0.152 -2.228
166 HA ARG 20 HA ARG 20 12.766 -2.786 -1.243
167 HB2 ARG 20 2HB ARG 20 15.022 -0.808 -1.089
168 HB3 ARG 20 3HB ARG 20 15.090 -2.320 -0.194
169 HG2 ARG 20 2HG ARG 20 15.327 -3.587 -2.072
170 HG3 ARG 20 3HG ARG 20 14.439 -2.447 -3.086
171 HD2 ARG 20 2HD ARG 20 16.658 -2.267 -3.807
172 HD3 ARG 20 3HD ARG 20 16.422 -0.875 -2.751
173 HE ARG 20 HE ARG 20 17.426 -2.935 -1.182
174 HH11 ARG 20 1HH1 ARG 20 18.446 -0.997 -3.888
175 HH12 ARG 20 2HH1 ARG 20 20.129 -1.087 -3.485
176 HH21 ARG 20 1HH2 ARG 20 19.639 -3.061 -0.642
177 HH22 ARG 20 2HH2 ARG 20 20.806 -2.262 -1.639
178 H HIS 21 H HIS 21 12.685 0.391 0.205
179 HA HIS 21 HA HIS 21 12.783 -0.525 2.915
180 HB2 HIS 21 2HB HIS 21 12.265 2.080 1.555
181 HB3 HIS 21 3HB HIS 21 11.750 1.898 3.230
182 HD1 HIS 21 HD1 HIS 21 14.015 0.492 4.544
183 HD2 HIS 21 HD2 HIS 21 14.615 3.401 1.639
184 HE1 HIS 21 HE1 HIS 21 16.349 1.348 4.921
185 H TYR 22 H TYR 22 10.316 -0.176 0.530
186 HA TYR 22 HA TYR 22 8.136 -0.169 2.428
187 HB2 TYR 22 2HB TYR 22 8.225 -0.374 -0.584
188 HB3 TYR 22 3HB TYR 22 6.730 -0.411 0.343
189 HD1 TYR 22 HD2 TYR 22 7.019 1.632 2.330
190 HD2 TYR 22 HD1 TYR 22 8.380 1.640 -1.701
191 HE1 TYR 22 HE2 TYR 22 6.944 4.090 2.316
192 HE2 TYR 22 HE1 TYR 22 8.311 4.098 -1.726
193 HH TYR 22 HH TYR 22 7.096 5.930 1.050
194 H ALA 23 H ALA 23 9.486 -2.443 0.054
195 HA ALA 23 HA ALA 23 7.712 -4.566 0.712
196 HB1 ALA 23 1HB ALA 23 9.982 -4.152 -1.068
197 HB2 ALA 23 2HB ALA 23 9.914 -5.781 -0.392
198 HB3 ALA 23 3HB ALA 23 8.535 -5.138 -1.284
199 H ALA 24 H ALA 24 10.567 -3.336 2.162
200 HA ALA 24 HA ALA 24 11.137 -5.807 3.598
201 HB1 ALA 24 1HB ALA 24 13.042 -4.575 4.534
202 HB2 ALA 24 2HB ALA 24 13.025 -4.523 2.771
203 HB3 ALA 24 3HB ALA 24 12.500 -3.119 3.698
204 H PHE 25 H PHE 25 8.739 -3.835 3.938
205 HA PHE 25 HA PHE 25 8.768 -3.976 6.860
206 HB2 PHE 25 2HB PHE 25 8.397 -1.500 5.211
207 HB3 PHE 25 3HB PHE 25 7.561 -1.654 6.752
208 HD1 PHE 25 HD2 PHE 25 10.958 -1.935 5.257
209 HD2 PHE 25 HD1 PHE 25 8.624 -0.998 8.690
210 HE1 PHE 25 HE2 PHE 25 12.988 -1.183 6.426
211 HE2 PHE 25 HE1 PHE 25 10.650 -0.243 9.865
212 HZ PHE 25 HZ PHE 25 12.836 -0.336 8.734
213 H GLU 26 H GLU 26 6.792 -3.073 4.037
214 HA GLU 26 HA GLU 26 4.281 -3.394 5.132
215 HB2 GLU 26 2HB GLU 26 5.415 -3.509 2.409
216 HB3 GLU 26 3HB GLU 26 3.862 -4.307 2.609
217 HG2 GLU 26 2HG GLU 26 4.194 -1.561 3.692
218 HG3 GLU 26 3HG GLU 26 4.030 -1.772 1.950
219 H ARG 27 H ARG 27 6.496 -5.843 3.927
220 HA ARG 27 HA ARG 27 4.914 -7.892 5.262
221 HB2 ARG 27 2HB ARG 27 5.368 -7.739 2.317
222 HB3 ARG 27 3HB ARG 27 5.402 -9.322 3.084
223 HG2 ARG 27 2HG ARG 27 3.116 -7.448 3.542
224 HG3 ARG 27 3HG ARG 27 3.188 -8.465 2.102
225 HD2 ARG 27 2HD ARG 27 3.617 -10.388 3.780
226 HD3 ARG 27 3HD ARG 27 2.969 -9.269 4.978
227 HE ARG 27 HE ARG 27 1.250 -9.477 2.726
228 HH11 ARG 27 1HH1 ARG 27 2.239 -11.135 5.623
229 HH12 ARG 27 2HH1 ARG 27 0.742 -11.988 5.802
230 HH21 ARG 27 1HH2 ARG 27 -0.726 -10.594 2.951
231 HH22 ARG 27 2HH2 ARG 27 -0.943 -11.681 4.281
232 H ALA 28 H ALA 28 7.816 -7.138 3.372
233 HA ALA 28 HA ALA 28 9.990 -7.773 3.596
234 HB1 ALA 28 1HB ALA 28 9.635 -6.993 5.917
235 HB2 ALA 28 2HB ALA 28 9.193 -8.640 6.372
236 HB3 ALA 28 3HB ALA 28 10.823 -8.292 5.796
237 H THR 29 H THR 29 7.706 -9.740 2.947
238 HA THR 29 HA THR 29 8.738 -12.304 3.731
239 HB THR 29 HB THR 29 6.300 -11.806 3.233
240 HG1 THR 29 HG1 THR 29 6.606 -13.928 3.350
241 HG21 THR 29 3HG2 THR 29 6.907 -10.628 1.041
242 HG22 THR 29 1HG2 THR 29 5.523 -11.720 1.015
243 HG23 THR 29 2HG2 THR 29 7.074 -12.246 0.361
244 H PHE 30 H PHE 30 9.058 -10.178 0.981
245 HA PHE 30 HA PHE 30 9.943 -11.885 -0.991
246 HB2 PHE 30 2HB PHE 30 11.130 -9.162 -0.432
247 HB3 PHE 30 3HB PHE 30 11.056 -9.992 -1.983
248 HD1 PHE 30 HD1 PHE 30 8.843 -10.326 -3.085
249 HD2 PHE 30 HD2 PHE 30 9.337 -7.850 0.341
250 HE1 PHE 30 HE1 PHE 30 6.693 -9.231 -3.571
251 HE2 PHE 30 HE2 PHE 30 7.189 -6.751 -0.139
252 HZ PHE 30 HZ PHE 30 5.863 -7.442 -2.096
Start of MODEL 4
1 H1 TYR 1 H TYR 1 0.860 -3.600 -2.717
2 HA TYR 1 HA TYR 1 1.751 -1.268 -1.150
3 HB2 TYR 1 2HB TYR 1 4.045 -2.140 -1.374
4 HB3 TYR 1 3HB TYR 1 2.994 -3.278 -0.538
5 HD1 TYR 1 HD1 TYR 1 2.342 -5.376 -1.593
6 HD2 TYR 1 HD2 TYR 1 4.929 -2.640 -3.574
7 HE1 TYR 1 HE1 TYR 1 2.969 -7.136 -3.192
8 HE2 TYR 1 HE2 TYR 1 5.563 -4.393 -5.179
9 HH TYR 1 HH TYR 1 3.928 -7.016 -5.779
10 H ALA 2 H ALA 2 1.668 -2.826 -4.288
11 HA ALA 2 HA ALA 2 2.980 -0.519 -5.527
12 HB1 ALA 2 1HB ALA 2 3.156 -1.867 -7.517
13 HB2 ALA 2 2HB ALA 2 3.740 -2.794 -6.134
14 HB3 ALA 2 3HB ALA 2 2.141 -3.119 -6.802
15 H GLU 3 H GLU 3 1.656 1.115 -5.990
16 HA GLU 3 HA GLU 3 -1.072 0.518 -6.902
17 HB2 GLU 3 2HB GLU 3 -0.716 2.034 -4.913
18 HB3 GLU 3 3HB GLU 3 0.018 3.190 -6.016
19 HG2 GLU 3 2HG GLU 3 -2.214 2.929 -7.331
20 HG3 GLU 3 3HG GLU 3 -2.826 2.329 -5.791
21 H LYS 4 H LYS 4 0.022 -0.086 -8.985
22 HA LYS 4 HA LYS 4 0.541 0.332 -11.162
23 HB2 LYS 4 2HB LYS 4 -0.957 2.910 -10.658
24 HB3 LYS 4 3HB LYS 4 -0.640 2.182 -12.228
25 HG2 LYS 4 2HG LYS 4 -1.964 0.190 -11.450
26 HG3 LYS 4 3HG LYS 4 -2.437 1.154 -10.049
27 HD2 LYS 4 2HD LYS 4 -3.466 2.806 -11.482
28 HD3 LYS 4 3HD LYS 4 -2.891 1.961 -12.922
29 HE2 LYS 4 2HE LYS 4 -5.151 1.342 -12.688
30 HE3 LYS 4 3HE LYS 4 -4.223 -0.037 -12.100
31 HZ1 LYS 4 3HZ LYS 4 -5.726 0.173 -10.427
32 HZ2 LYS 4 1HZ LYS 4 -5.899 1.845 -10.616
33 HZ3 LYS 4 2HZ LYS 4 -4.538 1.219 -9.830
34 H VAL 5 H VAL 5 2.408 1.237 -9.087
35 HA VAL 5 HA VAL 5 3.716 3.454 -10.524
36 HB VAL 5 HB VAL 5 4.898 3.988 -8.470
37 HG11 VAL 5 1HG1 VAL 5 2.341 3.932 -7.183
38 HG12 VAL 5 2HG1 VAL 5 3.193 5.296 -7.909
39 HG13 VAL 5 3HG1 VAL 5 2.135 4.288 -8.897
40 HG21 VAL 5 3HG2 VAL 5 4.245 2.838 -6.348
41 HG22 VAL 5 1HG2 VAL 5 3.401 1.637 -7.325
42 HG23 VAL 5 2HG2 VAL 5 5.148 1.826 -7.475
43 H ALA 6 H ALA 6 4.057 0.215 -9.298
44 HA ALA 6 HA ALA 6 6.884 0.022 -9.622
45 HB1 ALA 6 1HB ALA 6 5.940 -2.557 -9.781
46 HB2 ALA 6 2HB ALA 6 6.383 -1.706 -8.301
47 HB3 ALA 6 3HB ALA 6 4.702 -1.734 -8.832
48 H GLN 7 H GLN 7 4.191 -1.379 -11.504
49 HA GLN 7 HA GLN 7 5.720 -2.384 -13.600
50 HB2 GLN 7 2HB GLN 7 3.440 -3.064 -13.381
51 HB3 GLN 7 3HB GLN 7 2.867 -1.408 -13.526
52 HG2 GLN 7 2HG GLN 7 3.150 -1.358 -15.796
53 HG3 GLN 7 3HG GLN 7 4.407 -2.594 -15.776
54 HE21 GLN 7 1HE2 GLN 7 3.659 -4.793 -15.124
55 HE22 GLN 7 2HE2 GLN 7 2.121 -5.316 -15.714
56 H GLU 8 H GLU 8 4.697 0.861 -12.918
57 HA GLU 8 HA GLU 8 5.064 1.919 -15.533
58 HB2 GLU 8 2HB GLU 8 4.835 3.120 -12.793
59 HB3 GLU 8 3HB GLU 8 5.276 4.124 -14.167
60 HG2 GLU 8 2HG GLU 8 2.856 2.388 -14.318
61 HG3 GLU 8 3HG GLU 8 2.792 3.917 -13.444
62 H LYS 9 H LYS 9 6.738 3.464 -16.151
63 HA LYS 9 HA LYS 9 8.913 3.990 -16.563
64 HB2 LYS 9 2HB LYS 9 9.172 3.458 -13.597
65 HB3 LYS 9 3HB LYS 9 10.401 4.233 -14.588
66 HG2 LYS 9 2HG LYS 9 7.628 5.346 -14.437
67 HG3 LYS 9 3HG LYS 9 8.825 5.704 -13.190
68 HD2 LYS 9 2HD LYS 9 10.360 6.422 -15.086
69 HD3 LYS 9 3HD LYS 9 8.933 6.361 -16.124
70 HE2 LYS 9 2HE LYS 9 9.235 8.618 -15.365
71 HE3 LYS 9 3HE LYS 9 7.810 7.945 -14.574
72 HZ1 LYS 9 3HZ LYS 9 9.576 9.250 -13.209
73 HZ2 LYS 9 1HZ LYS 9 10.407 7.776 -13.215
74 HZ3 LYS 9 2HZ LYS 9 8.853 7.867 -12.554
75 H GLY 10 H GLY 10 8.014 1.193 -16.781
76 HA2 GLY 10 2HA GLY 10 9.078 -0.709 -17.575
77 HA3 GLY 10 3HA GLY 10 10.621 0.016 -17.149
78 H PHE 11 H PHE 11 11.324 -1.990 -16.301
79 HA PHE 11 HA PHE 11 9.976 -2.857 -13.838
80 HB2 PHE 11 2HB PHE 11 10.232 -4.651 -15.421
81 HB3 PHE 11 3HB PHE 11 11.937 -4.277 -15.646
82 HD1 PHE 11 HD2 PHE 11 13.575 -4.861 -13.940
83 HD2 PHE 11 HD1 PHE 11 9.465 -5.882 -13.512
84 HE1 PHE 11 HE2 PHE 11 14.159 -6.453 -12.158
85 HE2 PHE 11 HE1 PHE 11 10.042 -7.475 -11.729
86 HZ PHE 11 HZ PHE 11 12.392 -7.764 -11.050
87 H LEU 12 H LEU 12 13.057 -1.797 -15.153
88 HA LEU 12 HA LEU 12 14.690 -2.264 -12.941
89 HB2 LEU 12 2HB LEU 12 14.777 -0.182 -15.104
90 HB3 LEU 12 3HB LEU 12 16.017 -0.292 -13.857
91 HG LEU 12 HG LEU 12 16.207 -2.769 -14.691
92 HD11 LEU 12 1HD1 LEU 12 14.619 -1.423 -16.802
93 HD12 LEU 12 2HD1 LEU 12 14.612 -3.105 -16.274
94 HD13 LEU 12 3HD1 LEU 12 15.908 -2.513 -17.314
95 HD21 LEU 12 3HD2 LEU 12 17.305 -0.721 -16.570
96 HD22 LEU 12 1HD2 LEU 12 18.081 -2.150 -15.887
97 HD23 LEU 12 2HD2 LEU 12 17.811 -0.728 -14.880
98 H TYR 13 H TYR 13 12.307 0.193 -13.525
99 HA TYR 13 HA TYR 13 13.086 2.184 -11.764
100 HB2 TYR 13 2HB TYR 13 11.219 2.550 -13.223
101 HB3 TYR 13 3HB TYR 13 10.325 1.212 -12.511
102 HD1 TYR 13 HD1 TYR 13 9.264 1.449 -10.321
103 HD2 TYR 13 HD2 TYR 13 11.327 4.701 -12.129
104 HE1 TYR 13 HE1 TYR 13 8.199 2.999 -8.735
105 HE2 TYR 13 HE2 TYR 13 10.268 6.260 -10.548
106 HH TYR 13 HH TYR 13 8.300 6.386 -9.128
107 H ARG 14 H ARG 14 11.237 -0.769 -11.114
108 HA ARG 14 HA ARG 14 10.610 -0.307 -8.444
109 HB2 ARG 14 2HB ARG 14 11.119 -2.844 -9.984
110 HB3 ARG 14 3HB ARG 14 10.667 -2.868 -8.284
111 HG2 ARG 14 2HG ARG 14 8.588 -1.731 -8.791
112 HG3 ARG 14 3HG ARG 14 9.047 -1.616 -10.491
113 HD2 ARG 14 2HD ARG 14 7.744 -3.485 -10.582
114 HD3 ARG 14 3HD ARG 14 9.301 -4.234 -10.226
115 HE ARG 14 HE ARG 14 7.972 -3.616 -7.820
116 HH11 ARG 14 1HH1 ARG 14 7.815 -5.815 -10.514
117 HH12 ARG 14 2HH1 ARG 14 7.063 -7.083 -9.604
118 HH21 ARG 14 1HH2 ARG 14 6.982 -5.278 -6.610
119 HH22 ARG 14 2HH2 ARG 14 6.589 -6.777 -7.384
120 H LEU 15 H LEU 15 13.619 -1.221 -9.921
121 HA LEU 15 HA LEU 15 14.877 -2.144 -7.523
122 HB2 LEU 15 2HB LEU 15 16.196 -1.150 -10.041
123 HB3 LEU 15 3HB LEU 15 16.905 -2.186 -8.804
124 HG LEU 15 HG LEU 15 14.706 -2.934 -10.730
125 HD11 LEU 15 1HD1 LEU 15 16.932 -2.809 -11.737
126 HD12 LEU 15 2HD1 LEU 15 16.353 -4.471 -11.644
127 HD13 LEU 15 3HD1 LEU 15 17.556 -3.891 -10.492
128 HD21 LEU 15 3HD2 LEU 15 16.055 -4.624 -8.629
129 HD22 LEU 15 1HD2 LEU 15 14.809 -5.144 -9.763
130 HD23 LEU 15 2HD2 LEU 15 14.422 -3.968 -8.507
131 H THR 16 H THR 16 14.236 -0.308 -6.167
132 HA THR 16 HA THR 16 16.280 1.790 -6.267
133 HB THR 16 HB THR 16 14.512 3.451 -5.513
134 HG1 THR 16 HG1 THR 16 12.356 2.817 -6.349
135 HG21 THR 16 3HG2 THR 16 15.430 3.622 -7.723
136 HG22 THR 16 1HG2 THR 16 13.684 3.838 -7.842
137 HG23 THR 16 2HG2 THR 16 14.416 2.300 -8.301
138 H SER 17 H SER 17 15.924 3.204 -4.130
139 HA SER 17 HA SER 17 16.399 1.387 -1.970
140 HB2 SER 17 2HB SER 17 17.417 3.764 -2.425
141 HB3 SER 17 3HB SER 17 15.993 4.329 -1.551
142 HG SER 17 HG SER 17 17.715 3.985 -0.123
143 H ARG 18 H ARG 18 13.912 3.853 -2.612
144 HA ARG 18 HA ARG 18 12.376 3.501 -0.333
145 HB2 ARG 18 2HB ARG 18 11.799 4.443 -3.106
146 HB3 ARG 18 3HB ARG 18 10.442 4.134 -2.030
147 HG2 ARG 18 2HG ARG 18 10.847 6.380 -1.701
148 HG3 ARG 18 3HG ARG 18 11.729 5.637 -0.365
149 HD2 ARG 18 2HD ARG 18 13.150 7.290 -1.319
150 HD3 ARG 18 3HD ARG 18 13.782 5.716 -1.798
151 HE ARG 18 HE ARG 18 13.389 6.278 -3.974
152 HH11 ARG 18 1HH1 ARG 18 11.490 8.353 -1.923
153 HH12 ARG 18 2HH1 ARG 18 10.934 9.350 -3.226
154 HH21 ARG 18 1HH2 ARG 18 12.663 7.583 -5.698
155 HH22 ARG 18 2HH2 ARG 18 11.601 8.911 -5.373
156 H TYR 19 H TYR 19 12.069 1.851 -3.470
157 HA TYR 19 HA TYR 19 9.870 0.265 -2.907
158 HB2 TYR 19 2HB TYR 19 10.703 0.348 -5.144
159 HB3 TYR 19 3HB TYR 19 12.277 -0.264 -4.651
160 HD1 TYR 19 HD1 TYR 19 8.720 -1.186 -5.096
161 HD2 TYR 19 HD2 TYR 19 12.693 -2.593 -4.512
162 HE1 TYR 19 HE1 TYR 19 7.976 -3.478 -5.590
163 HE2 TYR 19 HE2 TYR 19 11.960 -4.888 -5.006
164 HH TYR 19 HH TYR 19 9.754 -6.182 -4.876
165 H ARG 20 H ARG 20 13.288 -0.736 -2.666
166 HA ARG 20 HA ARG 20 12.865 -3.199 -1.464
167 HB2 ARG 20 2HB ARG 20 15.183 -1.282 -1.188
168 HB3 ARG 20 3HB ARG 20 15.202 -2.930 -0.573
169 HG2 ARG 20 2HG ARG 20 14.857 -3.771 -2.852
170 HG3 ARG 20 3HG ARG 20 14.886 -2.112 -3.453
171 HD2 ARG 20 2HD ARG 20 17.163 -1.836 -2.706
172 HD3 ARG 20 3HD ARG 20 17.142 -3.428 -1.948
173 HE ARG 20 HE ARG 20 17.568 -2.839 -4.720
174 HH11 ARG 20 1HH1 ARG 20 16.416 -5.233 -2.469
175 HH12 ARG 20 2HH1 ARG 20 16.723 -6.567 -3.530
176 HH21 ARG 20 1HH2 ARG 20 17.976 -4.588 -6.126
177 HH22 ARG 20 2HH2 ARG 20 17.611 -6.200 -5.610
178 H HIS 21 H HIS 21 12.927 0.006 -0.057
179 HA HIS 21 HA HIS 21 13.027 -0.880 2.661
180 HB2 HIS 21 2HB HIS 21 12.599 1.724 1.272
181 HB3 HIS 21 3HB HIS 21 12.082 1.588 2.950
182 HD1 HIS 21 HD1 HIS 21 14.371 -0.047 4.126
183 HD2 HIS 21 HD2 HIS 21 14.921 3.113 1.485
184 HE1 HIS 21 HE1 HIS 21 16.719 0.761 4.523
185 H TYR 22 H TYR 22 10.525 -0.396 0.317
186 HA TYR 22 HA TYR 22 8.390 -0.335 2.264
187 HB2 TYR 22 2HB TYR 22 8.417 -0.462 -0.752
188 HB3 TYR 22 3HB TYR 22 6.934 -0.487 0.196
189 HD1 TYR 22 HD2 TYR 22 7.556 1.482 2.304
190 HD2 TYR 22 HD1 TYR 22 8.365 1.582 -1.872
191 HE1 TYR 22 HE2 TYR 22 7.553 3.941 2.368
192 HE2 TYR 22 HE1 TYR 22 8.365 4.041 -1.819
193 HH TYR 22 HH TYR 22 7.547 5.854 -0.487
194 H ALA 23 H ALA 23 9.624 -2.621 -0.156
195 HA ALA 23 HA ALA 23 7.759 -4.676 0.464
196 HB1 ALA 23 1HB ALA 23 8.559 -5.257 -1.537
197 HB2 ALA 23 2HB ALA 23 10.042 -4.329 -1.309
198 HB3 ALA 23 3HB ALA 23 9.915 -5.962 -0.656
199 H ALA 24 H ALA 24 10.659 -3.594 1.940
200 HA ALA 24 HA ALA 24 11.119 -6.111 3.335
201 HB1 ALA 24 1HB ALA 24 13.049 -4.856 2.509
202 HB2 ALA 24 2HB ALA 24 12.598 -3.490 3.531
203 HB3 ALA 24 3HB ALA 24 13.087 -5.017 4.265
204 H PHE 25 H PHE 25 8.808 -4.044 3.704
205 HA PHE 25 HA PHE 25 8.824 -4.233 6.623
206 HB2 PHE 25 2HB PHE 25 8.564 -1.717 5.015
207 HB3 PHE 25 3HB PHE 25 7.722 -1.860 6.555
208 HD1 PHE 25 HD2 PHE 25 11.103 -2.259 5.050
209 HD2 PHE 25 HD1 PHE 25 8.814 -1.288 8.504
210 HE1 PHE 25 HE2 PHE 25 13.164 -1.617 6.231
211 HE2 PHE 25 HE1 PHE 25 10.871 -0.643 9.691
212 HZ PHE 25 HZ PHE 25 13.050 -0.808 8.554
213 H GLU 26 H GLU 26 6.896 -3.194 3.813
214 HA GLU 26 HA GLU 26 4.371 -3.423 4.898
215 HB2 GLU 26 2HB GLU 26 5.505 -3.544 2.175
216 HB3 GLU 26 3HB GLU 26 3.917 -4.274 2.360
217 HG2 GLU 26 2HG GLU 26 4.343 -1.575 3.512
218 HG3 GLU 26 3HG GLU 26 4.232 -1.722 1.759
219 H ARG 27 H ARG 27 6.481 -5.947 3.664
220 HA ARG 27 HA ARG 27 4.806 -7.946 4.959
221 HB2 ARG 27 2HB ARG 27 5.274 -7.767 2.017
222 HB3 ARG 27 3HB ARG 27 5.231 -9.361 2.759
223 HG2 ARG 27 2HG ARG 27 3.036 -7.373 3.210
224 HG3 ARG 27 3HG ARG 27 3.062 -8.419 1.789
225 HD2 ARG 27 2HD ARG 27 3.038 -10.386 3.169
226 HD3 ARG 27 3HD ARG 27 3.215 -9.414 4.629
227 HE ARG 27 HE ARG 27 0.895 -8.625 3.237
228 HH11 ARG 27 1HH1 ARG 27 2.150 -11.251 5.147
229 HH12 ARG 27 2HH1 ARG 27 0.595 -11.739 5.735
230 HH21 ARG 27 1HH2 ARG 27 -1.158 -9.258 4.003
231 HH22 ARG 27 2HH2 ARG 27 -1.286 -10.606 5.083
232 H ALA 28 H ALA 28 7.742 -7.290 3.084
233 HA ALA 28 HA ALA 28 9.885 -8.024 3.299
234 HB1 ALA 28 1HB ALA 28 9.561 -7.268 5.633
235 HB2 ALA 28 2HB ALA 28 9.048 -8.901 6.059
236 HB3 ALA 28 3HB ALA 28 10.692 -8.614 5.490
237 H THR 29 H THR 29 7.517 -9.877 2.615
238 HA THR 29 HA THR 29 8.433 -12.497 3.358
239 HB THR 29 HB THR 29 6.020 -11.883 2.865
240 HG1 THR 29 HG1 THR 29 6.096 -14.005 2.883
241 HG21 THR 29 3HG2 THR 29 5.254 -11.731 0.646
242 HG22 THR 29 1HG2 THR 29 6.785 -12.303 -0.014
243 HG23 THR 29 2HG2 THR 29 6.677 -10.693 0.697
244 H PHE 30 H PHE 30 8.852 -10.343 0.644
245 HA PHE 30 HA PHE 30 9.667 -12.055 -1.354
246 HB2 PHE 30 2HB PHE 30 10.971 -9.396 -0.750
247 HB3 PHE 30 3HB PHE 30 10.863 -10.197 -2.314
248 HD1 PHE 30 HD2 PHE 30 8.637 -10.417 -3.423
249 HD2 PHE 30 HD1 PHE 30 9.237 -8.018 0.041
250 HE1 PHE 30 HE2 PHE 30 6.539 -9.220 -3.893
251 HE2 PHE 30 HE1 PHE 30 7.140 -6.818 -0.422
252 HZ PHE 30 HZ PHE 30 5.788 -7.418 -2.392
Start of MODEL 5
1 H1 TYR 1 H TYR 1 -0.975 -5.176 -2.867
2 HA TYR 1 HA TYR 1 0.240 -2.600 -2.246
3 HB2 TYR 1 2HB TYR 1 1.407 -4.959 -2.714
4 HB3 TYR 1 3HB TYR 1 1.354 -4.363 -4.369
5 HD1 TYR 1 HD1 TYR 1 2.634 -2.381 -5.019
6 HD2 TYR 1 HD2 TYR 1 2.842 -3.935 -1.064
7 HE1 TYR 1 HE1 TYR 1 4.655 -1.042 -4.606
8 HE2 TYR 1 HE2 TYR 1 4.863 -2.600 -0.639
9 HH TYR 1 HH TYR 1 6.338 -1.174 -1.478
10 H ALA 2 H ALA 2 0.843 -1.114 -3.950
11 HA ALA 2 HA ALA 2 -1.316 -0.551 -5.703
12 HB1 ALA 2 1HB ALA 2 1.220 0.709 -4.958
13 HB2 ALA 2 2HB ALA 2 0.705 1.032 -6.614
14 HB3 ALA 2 3HB ALA 2 -0.360 1.429 -5.266
15 H GLU 3 H GLU 3 -1.632 -1.039 -7.794
16 HA GLU 3 HA GLU 3 0.547 -2.421 -9.219
17 HB2 GLU 3 2HB GLU 3 -1.638 -3.694 -8.487
18 HB3 GLU 3 3HB GLU 3 -2.326 -2.902 -9.898
19 HG2 GLU 3 2HG GLU 3 -1.013 -4.077 -11.371
20 HG3 GLU 3 3HG GLU 3 0.238 -4.394 -10.170
21 H LYS 4 H LYS 4 -0.197 0.450 -9.163
22 HA LYS 4 HA LYS 4 -1.104 0.858 -11.922
23 HB2 LYS 4 2HB LYS 4 -2.004 2.110 -9.780
24 HB3 LYS 4 3HB LYS 4 -0.583 3.115 -10.033
25 HG2 LYS 4 2HG LYS 4 -2.203 4.265 -11.190
26 HG3 LYS 4 3HG LYS 4 -1.459 3.299 -12.467
27 HD2 LYS 4 2HD LYS 4 -3.732 2.994 -12.840
28 HD3 LYS 4 3HD LYS 4 -3.294 1.566 -11.899
29 HE2 LYS 4 2HE LYS 4 -3.962 3.051 -9.863
30 HE3 LYS 4 3HE LYS 4 -4.841 3.987 -11.071
31 HZ1 LYS 4 3HZ LYS 4 -5.991 1.936 -11.721
32 HZ2 LYS 4 1HZ LYS 4 -6.278 2.340 -10.103
33 HZ3 LYS 4 2HZ LYS 4 -5.196 1.097 -10.486
34 H VAL 5 H VAL 5 1.559 1.616 -9.724
35 HA VAL 5 HA VAL 5 3.104 2.717 -11.957
36 HB VAL 5 HB VAL 5 4.679 3.523 -10.305
37 HG11 VAL 5 1HG1 VAL 5 2.841 4.986 -10.719
38 HG12 VAL 5 2HG1 VAL 5 1.798 4.080 -9.622
39 HG13 VAL 5 3HG1 VAL 5 3.156 5.008 -8.984
40 HG21 VAL 5 3HG2 VAL 5 3.198 1.670 -8.541
41 HG22 VAL 5 1HG2 VAL 5 4.908 2.103 -8.556
42 HG23 VAL 5 2HG2 VAL 5 3.730 3.189 -7.819
43 H ALA 6 H ALA 6 2.940 -0.009 -9.803
44 HA ALA 6 HA ALA 6 5.573 -0.992 -10.332
45 HB1 ALA 6 1HB ALA 6 4.813 -1.825 -8.345
46 HB2 ALA 6 2HB ALA 6 3.160 -2.021 -8.931
47 HB3 ALA 6 3HB ALA 6 4.408 -3.170 -9.413
48 H GLN 7 H GLN 7 6.275 -2.318 -11.904
49 HA GLN 7 HA GLN 7 6.318 -3.558 -13.810
50 HB2 GLN 7 2HB GLN 7 4.751 -4.985 -12.395
51 HB3 GLN 7 3HB GLN 7 3.429 -4.242 -13.286
52 HG2 GLN 7 2HG GLN 7 4.120 -5.204 -15.318
53 HG3 GLN 7 3HG GLN 7 5.688 -5.663 -14.656
54 HE21 GLN 7 1HE2 GLN 7 2.568 -6.673 -15.330
55 HE22 GLN 7 2HE2 GLN 7 2.579 -8.159 -14.449
56 H GLU 8 H GLU 8 5.045 -0.749 -13.606
57 HA GLU 8 HA GLU 8 3.983 -0.745 -16.351
58 HB2 GLU 8 2HB GLU 8 2.969 0.827 -13.980
59 HB3 GLU 8 3HB GLU 8 2.518 1.173 -15.643
60 HG2 GLU 8 2HG GLU 8 2.138 -1.596 -14.659
61 HG3 GLU 8 3HG GLU 8 1.042 -0.349 -14.066
62 H LYS 9 H LYS 9 5.155 1.465 -13.807
63 HA LYS 9 HA LYS 9 6.028 3.490 -15.529
64 HB2 LYS 9 2HB LYS 9 5.712 3.695 -13.053
65 HB3 LYS 9 3HB LYS 9 7.205 2.791 -12.834
66 HG2 LYS 9 2HG LYS 9 8.024 4.898 -12.668
67 HG3 LYS 9 3HG LYS 9 8.157 4.685 -14.415
68 HD2 LYS 9 2HD LYS 9 6.078 5.865 -14.759
69 HD3 LYS 9 3HD LYS 9 5.817 5.978 -13.017
70 HE2 LYS 9 2HE LYS 9 7.712 7.423 -12.766
71 HE3 LYS 9 3HE LYS 9 8.182 7.180 -14.448
72 HZ1 LYS 9 3HZ LYS 9 5.503 8.150 -14.190
73 HZ2 LYS 9 1HZ LYS 9 6.783 8.753 -15.118
74 HZ3 LYS 9 2HZ LYS 9 6.629 9.204 -13.495
75 H GLY 10 H GLY 10 7.479 0.467 -14.635
76 HA2 GLY 10 2HA GLY 10 9.180 0.037 -16.614
77 HA3 GLY 10 3HA GLY 10 10.080 1.248 -15.713
78 H PHE 11 H PHE 11 11.316 -1.076 -16.042
79 HA PHE 11 HA PHE 11 10.771 -2.851 -13.817
80 HB2 PHE 11 2HB PHE 11 11.460 -3.854 -15.914
81 HB3 PHE 11 3HB PHE 11 12.928 -2.884 -15.936
82 HD1 PHE 11 HD2 PHE 11 11.228 -5.106 -13.460
83 HD2 PHE 11 HD1 PHE 11 14.821 -4.087 -15.503
84 HE1 PHE 11 HE2 PHE 11 12.417 -6.888 -12.250
85 HE2 PHE 11 HE1 PHE 11 16.015 -5.868 -14.296
86 HZ PHE 11 HZ PHE 11 14.814 -7.270 -12.666
87 H LEU 12 H LEU 12 13.575 -0.934 -14.907
88 HA LEU 12 HA LEU 12 15.129 -1.277 -12.615
89 HB2 LEU 12 2HB LEU 12 15.075 1.150 -14.400
90 HB3 LEU 12 3HB LEU 12 16.401 0.632 -13.361
91 HG LEU 12 HG LEU 12 15.419 -1.034 -15.665
92 HD11 LEU 12 1HD1 LEU 12 17.566 1.082 -15.673
93 HD12 LEU 12 2HD1 LEU 12 16.059 1.102 -16.590
94 HD13 LEU 12 3HD1 LEU 12 17.298 -0.099 -16.956
95 HD21 LEU 12 3HD2 LEU 12 16.728 -2.331 -14.221
96 HD22 LEU 12 1HD2 LEU 12 17.854 -1.010 -13.909
97 HD23 LEU 12 2HD2 LEU 12 17.849 -1.810 -15.481
98 H TYR 13 H TYR 13 12.407 0.778 -13.216
99 HA TYR 13 HA TYR 13 12.740 2.803 -11.372
100 HB2 TYR 13 2HB TYR 13 10.863 2.850 -12.859
101 HB3 TYR 13 3HB TYR 13 10.236 1.338 -12.211
102 HD1 TYR 13 HD1 TYR 13 11.265 4.673 -10.853
103 HD2 TYR 13 HD2 TYR 13 8.374 1.552 -10.881
104 HE1 TYR 13 HE1 TYR 13 9.894 5.937 -9.249
105 HE2 TYR 13 HE2 TYR 13 6.995 2.807 -9.277
106 HH TYR 13 HH TYR 13 7.978 6.020 -8.129
107 H ARG 14 H ARG 14 11.007 -0.263 -10.789
108 HA ARG 14 HA ARG 14 10.654 0.088 -8.042
109 HB2 ARG 14 2HB ARG 14 10.636 -2.258 -9.883
110 HB3 ARG 14 3HB ARG 14 10.683 -2.565 -8.152
111 HG2 ARG 14 2HG ARG 14 8.597 -1.621 -7.797
112 HG3 ARG 14 3HG ARG 14 8.643 -0.712 -9.309
113 HD2 ARG 14 2HD ARG 14 7.221 -2.380 -9.928
114 HD3 ARG 14 3HD ARG 14 8.755 -3.147 -10.340
115 HE ARG 14 HE ARG 14 7.844 -3.682 -7.659
116 HH11 ARG 14 1HH1 ARG 14 7.747 -4.684 -10.992
117 HH12 ARG 14 2HH1 ARG 14 7.334 -6.326 -10.622
118 HH21 ARG 14 1HH2 ARG 14 7.299 -5.840 -7.160
119 HH22 ARG 14 2HH2 ARG 14 7.078 -6.982 -8.442
120 H LEU 15 H LEU 15 13.432 -0.895 -9.862
121 HA LEU 15 HA LEU 15 14.831 -2.094 -7.665
122 HB2 LEU 15 2HB LEU 15 15.989 -1.030 -10.232
123 HB3 LEU 15 3HB LEU 15 16.711 -2.212 -9.143
124 HG LEU 15 HG LEU 15 14.266 -2.637 -10.860
125 HD11 LEU 15 1HD1 LEU 15 15.597 -3.975 -12.247
126 HD12 LEU 15 2HD1 LEU 15 16.923 -4.014 -11.086
127 HD13 LEU 15 3HD1 LEU 15 16.562 -2.527 -11.963
128 HD21 LEU 15 3HD2 LEU 15 14.156 -3.855 -8.731
129 HD22 LEU 15 1HD2 LEU 15 15.736 -4.564 -9.065
130 HD23 LEU 15 2HD2 LEU 15 14.363 -4.943 -10.105
131 H THR 16 H THR 16 14.248 -0.111 -6.303
132 HA THR 16 HA THR 16 16.475 1.811 -6.470
133 HB THR 16 HB THR 16 14.872 3.436 -5.303
134 HG1 THR 16 HG1 THR 16 12.819 2.887 -5.168
135 HG21 THR 16 3HG2 THR 16 15.375 4.122 -7.431
136 HG22 THR 16 1HG2 THR 16 13.650 3.813 -7.620
137 HG23 THR 16 2HG2 THR 16 14.825 2.616 -8.165
138 H SER 17 H SER 17 17.068 2.787 -4.390
139 HA SER 17 HA SER 17 17.473 0.837 -2.403
140 HB2 SER 17 2HB SER 17 18.734 3.103 -2.943
141 HB3 SER 17 3HB SER 17 17.644 3.740 -1.712
142 HG SER 17 HG SER 17 19.737 2.891 -0.969
143 H ARG 18 H ARG 18 15.038 3.319 -2.811
144 HA ARG 18 HA ARG 18 13.984 3.170 -0.171
145 HB2 ARG 18 2HB ARG 18 12.471 4.049 -2.626
146 HB3 ARG 18 3HB ARG 18 12.216 4.551 -0.960
147 HG2 ARG 18 2HG ARG 18 14.572 5.239 -2.703
148 HG3 ARG 18 3HG ARG 18 13.275 6.323 -2.197
149 HD2 ARG 18 2HD ARG 18 13.958 6.045 0.137
150 HD3 ARG 18 3HD ARG 18 15.251 4.960 -0.371
151 HE ARG 18 HE ARG 18 15.596 7.339 -1.756
152 HH11 ARG 18 1HH1 ARG 18 15.619 6.238 1.547
153 HH12 ARG 18 2HH1 ARG 18 16.750 7.438 2.076
154 HH21 ARG 18 1HH2 ARG 18 17.086 8.924 -1.071
155 HH22 ARG 18 2HH2 ARG 18 17.584 8.966 0.587
156 H TYR 19 H TYR 19 13.002 1.749 -3.275
157 HA TYR 19 HA TYR 19 10.690 0.462 -2.492
158 HB2 TYR 19 2HB TYR 19 11.299 0.494 -4.807
159 HB3 TYR 19 3HB TYR 19 12.796 -0.374 -4.489
160 HD1 TYR 19 HD1 TYR 19 9.096 -0.745 -4.355
161 HD2 TYR 19 HD2 TYR 19 12.861 -2.705 -4.642
162 HE1 TYR 19 HE1 TYR 19 7.947 -2.874 -4.799
163 HE2 TYR 19 HE2 TYR 19 11.723 -4.839 -5.088
164 HH TYR 19 HH TYR 19 9.665 -5.714 -5.804
165 H ARG 20 H ARG 20 13.998 -0.863 -2.455
166 HA ARG 20 HA ARG 20 13.393 -3.348 -1.356
167 HB2 ARG 20 2HB ARG 20 15.909 -1.724 -0.933
168 HB3 ARG 20 3HB ARG 20 15.746 -3.460 -0.704
169 HG2 ARG 20 2HG ARG 20 14.953 -3.323 -3.237
170 HG3 ARG 20 3HG ARG 20 15.975 -1.885 -3.197
171 HD2 ARG 20 2HD ARG 20 17.431 -3.587 -3.846
172 HD3 ARG 20 3HD ARG 20 17.734 -3.409 -2.118
173 HE ARG 20 HE ARG 20 15.802 -5.359 -2.349
174 HH11 ARG 20 1HH1 ARG 20 19.069 -4.885 -3.453
175 HH12 ARG 20 2HH1 ARG 20 19.450 -6.575 -3.462
176 HH21 ARG 20 1HH2 ARG 20 16.291 -7.587 -2.355
177 HH22 ARG 20 2HH2 ARG 20 17.869 -8.111 -2.838
178 H HIS 21 H HIS 21 13.667 -0.221 0.141
179 HA HIS 21 HA HIS 21 13.759 -1.291 2.829
180 HB2 HIS 21 2HB HIS 21 14.815 0.922 1.980
181 HB3 HIS 21 3HB HIS 21 13.191 1.581 2.149
182 HD1 HIS 21 HD1 HIS 21 15.400 -0.557 4.410
183 HD2 HIS 21 HD2 HIS 21 13.015 2.844 4.519
184 HE1 HIS 21 HE1 HIS 21 15.502 0.260 6.786
185 H TYR 22 H TYR 22 11.380 -0.292 0.545
186 HA TYR 22 HA TYR 22 9.300 0.116 2.510
187 HB2 TYR 22 2HB TYR 22 9.358 0.107 -0.501
188 HB3 TYR 22 3HB TYR 22 7.843 0.190 0.391
189 HD1 TYR 22 HD2 TYR 22 8.345 1.984 2.567
190 HD2 TYR 22 HD1 TYR 22 9.813 2.174 -1.421
191 HE1 TYR 22 HE2 TYR 22 8.601 4.421 2.784
192 HE2 TYR 22 HE1 TYR 22 10.075 4.611 -1.215
193 HH TYR 22 HH TYR 22 10.303 6.221 1.403
194 H ALA 23 H ALA 23 10.045 -2.292 0.004
195 HA ALA 23 HA ALA 23 7.862 -3.997 0.650
196 HB1 ALA 23 1HB ALA 23 10.111 -4.015 -1.202
197 HB2 ALA 23 2HB ALA 23 9.704 -5.617 -0.585
198 HB3 ALA 23 3HB ALA 23 8.475 -4.646 -1.396
199 H ALA 24 H ALA 24 10.951 -3.491 2.042
200 HA ALA 24 HA ALA 24 11.011 -6.093 3.351
201 HB1 ALA 24 1HB ALA 24 13.122 -5.291 2.562
202 HB2 ALA 24 2HB ALA 24 12.919 -3.763 3.419
203 HB3 ALA 24 3HB ALA 24 13.147 -5.258 4.326
204 H PHE 25 H PHE 25 9.109 -3.663 3.858
205 HA PHE 25 HA PHE 25 9.169 -3.961 6.768
206 HB2 PHE 25 2HB PHE 25 9.315 -1.378 5.251
207 HB3 PHE 25 3HB PHE 25 8.509 -1.429 6.815
208 HD1 PHE 25 HD1 PHE 25 11.716 -2.362 5.172
209 HD2 PHE 25 HD2 PHE 25 9.746 -1.136 8.740
210 HE1 PHE 25 HE1 PHE 25 13.894 -2.139 6.294
211 HE2 PHE 25 HE2 PHE 25 11.921 -0.911 9.868
212 HZ PHE 25 HZ PHE 25 13.999 -1.412 8.644
213 H GLU 26 H GLU 26 7.383 -2.493 4.057
214 HA GLU 26 HA GLU 26 4.887 -2.312 5.217
215 HB2 GLU 26 2HB GLU 26 5.907 -2.532 2.454
216 HB3 GLU 26 3HB GLU 26 4.218 -2.967 2.671
217 HG2 GLU 26 2HG GLU 26 5.160 -0.437 3.894
218 HG3 GLU 26 3HG GLU 26 4.981 -0.494 2.142
219 H ARG 27 H ARG 27 6.521 -5.126 3.928
220 HA ARG 27 HA ARG 27 4.544 -6.841 5.184
221 HB2 ARG 27 2HB ARG 27 4.993 -6.711 2.224
222 HB3 ARG 27 3HB ARG 27 4.565 -8.242 2.975
223 HG2 ARG 27 2HG ARG 27 2.516 -7.281 3.839
224 HG3 ARG 27 3HG ARG 27 2.955 -5.706 3.174
225 HD2 ARG 27 2HD ARG 27 2.851 -6.588 0.924
226 HD3 ARG 27 3HD ARG 27 2.538 -8.208 1.544
227 HE ARG 27 HE ARG 27 0.575 -6.410 2.488
228 HH11 ARG 27 1HH1 ARG 27 1.589 -8.077 -0.396
229 HH12 ARG 27 2HH1 ARG 27 0.000 -8.121 -1.086
230 HH21 ARG 27 1HH2 ARG 27 -1.521 -6.462 1.590
231 HH22 ARG 27 2HH2 ARG 27 -1.768 -7.201 0.044
232 H ALA 28 H ALA 28 7.478 -6.658 3.200
233 HA ALA 28 HA ALA 28 9.465 -7.762 3.311
234 HB1 ALA 28 1HB ALA 28 10.115 -7.412 5.416
235 HB2 ALA 28 2HB ALA 28 8.495 -7.697 6.053
236 HB3 ALA 28 3HB ALA 28 9.571 -9.058 5.738
237 H THR 29 H THR 29 6.777 -9.146 2.687
238 HA THR 29 HA THR 29 7.238 -11.908 3.320
239 HB THR 29 HB THR 29 4.958 -10.862 2.937
240 HG1 THR 29 HG1 THR 29 4.462 -12.903 2.755
241 HG21 THR 29 3HG2 THR 29 5.754 -9.739 0.774
242 HG22 THR 29 1HG2 THR 29 4.159 -10.490 0.759
243 HG23 THR 29 2HG2 THR 29 5.530 -11.317 0.021
244 H PHE 30 H PHE 30 7.942 -9.777 0.646
245 HA PHE 30 HA PHE 30 8.372 -11.544 -1.423
246 HB2 PHE 30 2HB PHE 30 10.144 -9.174 -0.807
247 HB3 PHE 30 3HB PHE 30 9.844 -9.897 -2.385
248 HD1 PHE 30 HD2 PHE 30 7.578 -9.689 -3.411
249 HD2 PHE 30 HD1 PHE 30 8.709 -7.539 0.084
250 HE1 PHE 30 HE2 PHE 30 5.709 -8.130 -3.770
251 HE2 PHE 30 HE1 PHE 30 6.841 -5.976 -0.269
252 HZ PHE 30 HZ PHE 30 5.339 -6.270 -2.198
Start of MODEL 6
1 H1 TYR 1 H TYR 1 2.299 -4.948 -3.345
2 HA TYR 1 HA TYR 1 -0.322 -3.683 -2.893
3 HB2 TYR 1 2HB TYR 1 1.065 -1.976 -1.586
4 HB3 TYR 1 3HB TYR 1 0.865 -3.566 -0.858
5 HD1 TYR 1 HD1 TYR 1 3.234 -1.557 -2.910
6 HD2 TYR 1 HD2 TYR 1 2.735 -4.793 -0.193
7 HE1 TYR 1 HE1 TYR 1 5.677 -1.774 -2.729
8 HE2 TYR 1 HE2 TYR 1 5.177 -5.018 -0.004
9 HH TYR 1 HH TYR 1 7.365 -2.899 -1.834
10 H ALA 2 H ALA 2 2.664 -3.558 -4.648
11 HA ALA 2 HA ALA 2 1.894 -0.996 -5.868
12 HB1 ALA 2 1HB ALA 2 4.521 -2.432 -5.655
13 HB2 ALA 2 2HB ALA 2 4.267 -1.125 -6.813
14 HB3 ALA 2 3HB ALA 2 4.092 -0.818 -5.086
15 H GLU 3 H GLU 3 0.637 -1.295 -7.597
16 HA GLU 3 HA GLU 3 1.440 -3.354 -9.546
17 HB2 GLU 3 2HB GLU 3 -0.974 -3.486 -10.184
18 HB3 GLU 3 3HB GLU 3 -0.625 -4.065 -8.561
19 HG2 GLU 3 2HG GLU 3 -1.389 -1.916 -7.649
20 HG3 GLU 3 3HG GLU 3 -1.787 -1.384 -9.282
21 H LYS 4 H LYS 4 0.127 -0.137 -9.022
22 HA LYS 4 HA LYS 4 0.483 0.463 -11.879
23 HB2 LYS 4 2HB LYS 4 -1.755 0.896 -10.802
24 HB3 LYS 4 3HB LYS 4 -0.972 2.126 -9.820
25 HG2 LYS 4 2HG LYS 4 -1.793 3.417 -11.507
26 HG3 LYS 4 3HG LYS 4 -0.199 3.037 -12.162
27 HD2 LYS 4 2HD LYS 4 -1.521 2.554 -13.973
28 HD3 LYS 4 3HD LYS 4 -1.470 0.975 -13.185
29 HE2 LYS 4 2HE LYS 4 -3.629 2.900 -12.455
30 HE3 LYS 4 3HE LYS 4 -3.747 2.016 -13.976
31 HZ1 LYS 4 3HZ LYS 4 -4.126 1.084 -11.287
32 HZ2 LYS 4 1HZ LYS 4 -3.093 0.090 -12.186
33 HZ3 LYS 4 2HZ LYS 4 -4.655 0.413 -12.748
34 H VAL 5 H VAL 5 1.591 1.224 -8.682
35 HA VAL 5 HA VAL 5 2.871 3.681 -9.236
36 HB VAL 5 HB VAL 5 3.717 1.654 -7.165
37 HG11 VAL 5 1HG1 VAL 5 4.200 3.948 -5.984
38 HG12 VAL 5 2HG1 VAL 5 5.359 3.256 -7.120
39 HG13 VAL 5 3HG1 VAL 5 4.270 4.542 -7.642
40 HG21 VAL 5 3HG2 VAL 5 2.145 3.626 -5.959
41 HG22 VAL 5 1HG2 VAL 5 1.259 3.133 -7.403
42 HG23 VAL 5 2HG2 VAL 5 1.730 1.929 -6.203
43 H ALA 6 H ALA 6 3.729 0.388 -9.869
44 HA ALA 6 HA ALA 6 6.392 1.265 -10.783
45 HB1 ALA 6 1HB ALA 6 6.886 -1.279 -10.584
46 HB2 ALA 6 2HB ALA 6 6.879 -0.276 -9.133
47 HB3 ALA 6 3HB ALA 6 5.483 -1.284 -9.515
48 H GLN 7 H GLN 7 3.818 1.327 -12.237
49 HA GLN 7 HA GLN 7 4.486 -0.538 -14.419
50 HB2 GLN 7 2HB GLN 7 2.336 -1.117 -13.553
51 HB3 GLN 7 3HB GLN 7 1.819 0.564 -13.540
52 HG2 GLN 7 2HG GLN 7 0.864 -0.841 -15.375
53 HG3 GLN 7 3HG GLN 7 1.673 0.635 -15.898
54 HE21 GLN 7 1HE2 GLN 7 2.150 -0.060 -17.937
55 HE22 GLN 7 2HE2 GLN 7 3.282 -1.321 -18.273
56 H GLU 8 H GLU 8 3.889 2.746 -13.499
57 HA GLU 8 HA GLU 8 3.454 3.842 -16.068
58 HB2 GLU 8 2HB GLU 8 4.501 5.060 -13.512
59 HB3 GLU 8 3HB GLU 8 4.190 5.996 -14.968
60 HG2 GLU 8 2HG GLU 8 1.999 4.287 -13.938
61 HG3 GLU 8 3HG GLU 8 2.403 5.746 -13.034
62 H LYS 9 H LYS 9 6.304 2.836 -14.379
63 HA LYS 9 HA LYS 9 8.015 4.088 -16.414
64 HB2 LYS 9 2HB LYS 9 8.421 3.262 -13.589
65 HB3 LYS 9 3HB LYS 9 9.796 3.094 -14.673
66 HG2 LYS 9 2HG LYS 9 9.799 5.231 -13.473
67 HG3 LYS 9 3HG LYS 9 9.700 5.444 -15.222
68 HD2 LYS 9 2HD LYS 9 8.172 6.959 -14.085
69 HD3 LYS 9 3HD LYS 9 7.276 5.773 -15.036
70 HE2 LYS 9 2HE LYS 9 6.448 4.715 -13.189
71 HE3 LYS 9 3HE LYS 9 7.843 5.128 -12.193
72 HZ1 LYS 9 3HZ LYS 9 5.766 7.067 -13.054
73 HZ2 LYS 9 1HZ LYS 9 7.040 7.360 -11.980
74 HZ3 LYS 9 2HZ LYS 9 5.794 6.303 -11.545
75 H GLY 10 H GLY 10 8.364 1.113 -14.489
76 HA2 GLY 10 2HA GLY 10 7.980 -0.741 -16.528
77 HA3 GLY 10 3HA GLY 10 9.675 -0.280 -16.580
78 H PHE 11 H PHE 11 10.529 -2.212 -15.923
79 HA PHE 11 HA PHE 11 9.602 -3.375 -13.411
80 HB2 PHE 11 2HB PHE 11 10.020 -4.809 -15.429
81 HB3 PHE 11 3HB PHE 11 11.731 -4.418 -15.287
82 HD1 PHE 11 HD2 PHE 11 12.974 -5.128 -13.233
83 HD2 PHE 11 HD1 PHE 11 9.036 -6.483 -14.110
84 HE1 PHE 11 HE2 PHE 11 13.269 -6.992 -11.656
85 HE2 PHE 11 HE1 PHE 11 9.324 -8.350 -12.533
86 HZ PHE 11 HZ PHE 11 11.443 -8.607 -11.304
87 H LEU 12 H LEU 12 12.647 -2.267 -14.884
88 HA LEU 12 HA LEU 12 14.311 -2.594 -12.690
89 HB2 LEU 12 2HB LEU 12 14.462 -0.337 -14.678
90 HB3 LEU 12 3HB LEU 12 15.784 -0.999 -13.720
91 HG LEU 12 HG LEU 12 14.370 -2.799 -15.626
92 HD11 LEU 12 1HD1 LEU 12 16.647 -1.180 -16.642
93 HD12 LEU 12 2HD1 LEU 12 15.033 -0.470 -16.660
94 HD13 LEU 12 3HD1 LEU 12 15.342 -1.977 -17.521
95 HD21 LEU 12 3HD2 LEU 12 16.950 -2.636 -14.209
96 HD22 LEU 12 1HD2 LEU 12 17.007 -3.282 -15.849
97 HD23 LEU 12 2HD2 LEU 12 15.973 -4.041 -14.638
98 H TYR 13 H TYR 13 11.889 -0.189 -13.302
99 HA TYR 13 HA TYR 13 12.694 1.887 -11.656
100 HB2 TYR 13 2HB TYR 13 10.775 2.172 -13.057
101 HB3 TYR 13 3HB TYR 13 9.929 0.842 -12.275
102 HD1 TYR 13 HD1 TYR 13 10.937 4.352 -11.986
103 HD2 TYR 13 HD2 TYR 13 8.868 1.141 -10.112
104 HE1 TYR 13 HE1 TYR 13 9.895 5.942 -10.426
105 HE2 TYR 13 HE2 TYR 13 7.819 2.722 -8.547
106 HH TYR 13 HH TYR 13 8.883 5.691 -7.946
107 H ARG 14 H ARG 14 11.131 -1.155 -10.824
108 HA ARG 14 HA ARG 14 10.614 -0.507 -8.108
109 HB2 ARG 14 2HB ARG 14 10.772 -3.101 -9.626
110 HB3 ARG 14 3HB ARG 14 10.492 -3.065 -7.891
111 HG2 ARG 14 2HG ARG 14 8.384 -2.239 -8.104
112 HG3 ARG 14 3HG ARG 14 8.751 -1.384 -9.603
113 HD2 ARG 14 2HD ARG 14 8.380 -3.226 -10.906
114 HD3 ARG 14 3HD ARG 14 8.839 -4.353 -9.630
115 HE ARG 14 HE ARG 14 6.465 -3.052 -8.888
116 HH11 ARG 14 1HH1 ARG 14 7.636 -5.373 -11.204
117 HH12 ARG 14 2HH1 ARG 14 6.117 -6.193 -11.346
118 HH21 ARG 14 1HH2 ARG 14 4.460 -4.123 -9.066
119 HH22 ARG 14 2HH2 ARG 14 4.310 -5.481 -10.130
120 H LEU 15 H LEU 15 13.407 -1.623 -9.823
121 HA LEU 15 HA LEU 15 14.801 -2.621 -7.524
122 HB2 LEU 15 2HB LEU 15 15.751 -1.877 -10.285
123 HB3 LEU 15 3HB LEU 15 16.770 -2.616 -9.051
124 HG LEU 15 HG LEU 15 14.379 -3.858 -10.406
125 HD11 LEU 15 1HD1 LEU 15 16.412 -3.772 -11.767
126 HD12 LEU 15 2HD1 LEU 15 16.006 -5.423 -11.302
127 HD13 LEU 15 3HD1 LEU 15 17.308 -4.569 -10.474
128 HD21 LEU 15 3HD2 LEU 15 14.937 -5.868 -9.114
129 HD22 LEU 15 1HD2 LEU 15 14.451 -4.530 -8.073
130 HD23 LEU 15 2HD2 LEU 15 16.157 -4.951 -8.228
131 H THR 16 H THR 16 14.185 -0.517 -6.358
132 HA THR 16 HA THR 16 16.455 1.340 -6.609
133 HB THR 16 HB THR 16 14.998 3.220 -6.004
134 HG1 THR 16 HG1 THR 16 12.657 2.766 -6.205
135 HG21 THR 16 3HG2 THR 16 15.269 3.146 -8.302
136 HG22 THR 16 1HG2 THR 16 13.514 3.106 -8.148
137 HG23 THR 16 2HG2 THR 16 14.406 1.617 -8.460
138 H SER 17 H SER 17 16.204 2.909 -4.502
139 HA SER 17 HA SER 17 16.750 1.150 -2.299
140 HB2 SER 17 2HB SER 17 17.990 3.305 -2.788
141 HB3 SER 17 3HB SER 17 16.562 4.166 -2.215
142 HG SER 17 HG SER 17 17.986 3.920 -0.507
143 H ARG 18 H ARG 18 14.354 3.712 -2.911
144 HA ARG 18 HA ARG 18 12.934 3.559 -0.547
145 HB2 ARG 18 2HB ARG 18 12.265 4.370 -3.331
146 HB3 ARG 18 3HB ARG 18 10.929 4.131 -2.212
147 HG2 ARG 18 2HG ARG 18 11.348 6.362 -1.932
148 HG3 ARG 18 3HG ARG 18 12.344 5.672 -0.649
149 HD2 ARG 18 2HD ARG 18 13.571 7.379 -1.878
150 HD3 ARG 18 3HD ARG 18 14.303 5.791 -2.107
151 HE ARG 18 HE ARG 18 12.446 6.389 -4.176
152 HH11 ARG 18 1HH1 ARG 18 15.672 7.062 -3.055
153 HH12 ARG 18 2HH1 ARG 18 16.287 7.420 -4.635
154 HH21 ARG 18 1HH2 ARG 18 13.243 6.857 -6.261
155 HH22 ARG 18 2HH2 ARG 18 14.904 7.304 -6.458
156 H TYR 19 H TYR 19 12.467 1.666 -3.514
157 HA TYR 19 HA TYR 19 10.212 0.237 -2.803
158 HB2 TYR 19 2HB TYR 19 11.067 0.061 -5.031
159 HB3 TYR 19 3HB TYR 19 12.599 -0.589 -4.458
160 HD1 TYR 19 HD1 TYR 19 9.001 -1.343 -4.873
161 HD2 TYR 19 HD2 TYR 19 12.873 -2.912 -4.066
162 HE1 TYR 19 HE1 TYR 19 8.126 -3.626 -5.145
163 HE2 TYR 19 HE2 TYR 19 12.009 -5.199 -4.337
164 HH TYR 19 HH TYR 19 9.441 -6.029 -5.844
165 H ARG 20 H ARG 20 13.598 -0.435 -2.027
166 HA ARG 20 HA ARG 20 13.365 -2.935 -0.884
167 HB2 ARG 20 2HB ARG 20 15.128 -0.681 0.093
168 HB3 ARG 20 3HB ARG 20 15.372 -2.396 0.398
169 HG2 ARG 20 2HG ARG 20 15.166 -2.012 -2.409
170 HG3 ARG 20 3HG ARG 20 16.314 -0.838 -1.763
171 HD2 ARG 20 2HD ARG 20 16.377 -3.830 -1.407
172 HD3 ARG 20 3HD ARG 20 17.494 -2.850 -2.357
173 HE ARG 20 HE ARG 20 17.694 -1.834 0.161
174 HH11 ARG 20 1HH1 ARG 20 18.023 -5.011 -1.225
175 HH12 ARG 20 2HH1 ARG 20 19.182 -5.545 -0.053
176 HH21 ARG 20 1HH2 ARG 20 19.219 -2.525 1.710
177 HH22 ARG 20 2HH2 ARG 20 19.861 -4.130 1.617
178 H HIS 21 H HIS 21 13.089 0.209 0.772
179 HA HIS 21 HA HIS 21 12.372 -0.900 3.279
180 HB2 HIS 21 2HB HIS 21 11.855 1.879 2.199
181 HB3 HIS 21 3HB HIS 21 11.746 1.398 3.890
182 HD1 HIS 21 HD1 HIS 21 14.129 0.433 4.883
183 HD2 HIS 21 HD2 HIS 21 14.286 2.843 1.502
184 HE1 HIS 21 HE1 HIS 21 16.504 1.249 4.749
185 H TYR 22 H TYR 22 10.580 -0.126 0.418
186 HA TYR 22 HA TYR 22 8.006 -0.052 1.674
187 HB2 TYR 22 2HB TYR 22 8.964 -0.143 -1.171
188 HB3 TYR 22 3HB TYR 22 7.259 -0.373 -0.798
189 HD1 TYR 22 HD2 TYR 22 6.687 1.518 1.282
190 HD2 TYR 22 HD1 TYR 22 9.262 1.959 -2.076
191 HE1 TYR 22 HE2 TYR 22 6.375 3.957 1.370
192 HE2 TYR 22 HE1 TYR 22 8.958 4.399 -1.996
193 HH TYR 22 HH TYR 22 8.291 6.124 -0.524
194 H ALA 23 H ALA 23 10.115 -2.521 0.562
195 HA ALA 23 HA ALA 23 7.951 -4.509 0.794
196 HB1 ALA 23 1HB ALA 23 8.608 -5.117 -1.251
197 HB2 ALA 23 2HB ALA 23 10.112 -4.201 -1.137
198 HB3 ALA 23 3HB ALA 23 10.013 -5.823 -0.452
199 H ALA 24 H ALA 24 10.288 -3.205 2.574
200 HA ALA 24 HA ALA 24 11.201 -5.750 3.735
201 HB1 ALA 24 1HB ALA 24 13.034 -4.352 3.075
202 HB2 ALA 24 2HB ALA 24 12.358 -2.975 3.947
203 HB3 ALA 24 3HB ALA 24 12.955 -4.375 4.837
204 H PHE 25 H PHE 25 8.928 -3.376 4.173
205 HA PHE 25 HA PHE 25 8.788 -3.924 7.065
206 HB2 PHE 25 2HB PHE 25 8.199 -1.356 5.591
207 HB3 PHE 25 3HB PHE 25 7.655 -1.657 7.238
208 HD1 PHE 25 HD2 PHE 25 10.791 -1.840 5.223
209 HD2 PHE 25 HD1 PHE 25 8.967 -0.875 8.945
210 HE1 PHE 25 HE2 PHE 25 12.959 -1.051 6.077
211 HE2 PHE 25 HE1 PHE 25 11.132 -0.085 9.805
212 HZ PHE 25 HZ PHE 25 13.132 -0.173 8.371
213 H GLU 26 H GLU 26 6.909 -3.015 4.189
214 HA GLU 26 HA GLU 26 4.355 -3.363 5.182
215 HB2 GLU 26 2HB GLU 26 5.598 -3.495 2.497
216 HB3 GLU 26 3HB GLU 26 4.017 -4.246 2.655
217 HG2 GLU 26 2HG GLU 26 4.373 -1.514 3.751
218 HG3 GLU 26 3HG GLU 26 4.305 -1.707 2.000
219 H ARG 27 H ARG 27 6.613 -5.782 3.961
220 HA ARG 27 HA ARG 27 5.035 -7.859 5.267
221 HB2 ARG 27 2HB ARG 27 5.573 -7.690 2.332
222 HB3 ARG 27 3HB ARG 27 5.555 -9.272 3.100
223 HG2 ARG 27 2HG ARG 27 3.313 -9.180 3.560
224 HG3 ARG 27 3HG ARG 27 3.282 -7.415 3.587
225 HD2 ARG 27 2HD ARG 27 2.189 -7.904 1.606
226 HD3 ARG 27 3HD ARG 27 3.842 -7.610 1.068
227 HE ARG 27 HE ARG 27 3.418 -10.362 1.628
228 HH11 ARG 27 1HH1 ARG 27 2.783 -7.886 -0.735
229 HH12 ARG 27 2HH1 ARG 27 2.683 -8.995 -2.062
230 HH21 ARG 27 1HH2 ARG 27 3.290 -11.832 -0.111
231 HH22 ARG 27 2HH2 ARG 27 2.971 -11.240 -1.706
232 H ALA 28 H ALA 28 7.957 -7.105 3.397
233 HA ALA 28 HA ALA 28 10.131 -7.731 3.648
234 HB1 ALA 28 1HB ALA 28 10.604 -7.130 5.740
235 HB2 ALA 28 2HB ALA 28 9.043 -7.694 6.338
236 HB3 ALA 28 3HB ALA 28 10.384 -8.827 6.170
237 H THR 29 H THR 29 7.856 -9.716 3.023
238 HA THR 29 HA THR 29 8.911 -12.260 3.859
239 HB THR 29 HB THR 29 6.461 -11.786 3.385
240 HG1 THR 29 HG1 THR 29 6.218 -13.907 2.395
241 HG21 THR 29 3HG2 THR 29 7.020 -10.656 1.161
242 HG22 THR 29 1HG2 THR 29 5.655 -11.771 1.173
243 HG23 THR 29 2HG2 THR 29 7.208 -12.286 0.515
244 H PHE 30 H PHE 30 9.180 -10.183 1.068
245 HA PHE 30 HA PHE 30 10.043 -11.917 -0.889
246 HB2 PHE 30 2HB PHE 30 11.234 -9.185 -0.389
247 HB3 PHE 30 3HB PHE 30 11.137 -10.038 -1.926
248 HD1 PHE 30 HD1 PHE 30 8.905 -10.393 -2.987
249 HD2 PHE 30 HD2 PHE 30 9.453 -7.861 0.390
250 HE1 PHE 30 HE1 PHE 30 6.748 -9.307 -3.456
251 HE2 PHE 30 HE2 PHE 30 7.297 -6.771 -0.073
252 HZ PHE 30 HZ PHE 30 5.940 -7.494 -1.997
Start of MODEL 7
1 H1 TYR 1 H TYR 1 1.568 -5.368 -3.565
2 HA TYR 1 HA TYR 1 -0.675 -3.471 -3.597
3 HB2 TYR 1 2HB TYR 1 0.432 -2.337 -1.760
4 HB3 TYR 1 3HB TYR 1 0.287 -4.051 -1.386
5 HD1 TYR 1 HD1 TYR 1 2.602 -1.331 -2.193
6 HD2 TYR 1 HD2 TYR 1 2.255 -5.472 -1.278
7 HE1 TYR 1 HE1 TYR 1 5.023 -1.434 -1.770
8 HE2 TYR 1 HE2 TYR 1 4.675 -5.586 -0.852
9 HH TYR 1 HH TYR 1 6.609 -4.493 -0.915
10 H ALA 2 H ALA 2 2.629 -3.940 -4.613
11 HA ALA 2 HA ALA 2 2.724 -1.217 -5.706
12 HB1 ALA 2 1HB ALA 2 4.605 -2.098 -4.270
13 HB2 ALA 2 2HB ALA 2 4.999 -3.182 -5.605
14 HB3 ALA 2 3HB ALA 2 5.074 -1.435 -5.836
15 H GLU 3 H GLU 3 1.004 -2.310 -7.209
16 HA GLU 3 HA GLU 3 2.403 -3.510 -9.507
17 HB2 GLU 3 2HB GLU 3 0.564 -4.846 -8.360
18 HB3 GLU 3 3HB GLU 3 -0.562 -3.648 -8.982
19 HG2 GLU 3 2HG GLU 3 0.565 -4.219 -11.271
20 HG3 GLU 3 3HG GLU 3 1.012 -5.708 -10.441
21 H LYS 4 H LYS 4 0.402 -0.908 -8.404
22 HA LYS 4 HA LYS 4 -0.253 0.027 -11.059
23 HB2 LYS 4 2HB LYS 4 -1.774 0.333 -9.101
24 HB3 LYS 4 3HB LYS 4 -0.596 1.441 -8.409
25 HG2 LYS 4 2HG LYS 4 -0.969 3.054 -10.053
26 HG3 LYS 4 3HG LYS 4 -1.749 1.899 -11.136
27 HD2 LYS 4 2HD LYS 4 -2.946 2.493 -8.459
28 HD3 LYS 4 3HD LYS 4 -3.200 3.603 -9.808
29 HE2 LYS 4 2HE LYS 4 -3.749 0.653 -10.012
30 HE3 LYS 4 3HE LYS 4 -4.961 1.803 -9.448
31 HZ1 LYS 4 3HZ LYS 4 -4.511 1.128 -12.035
32 HZ2 LYS 4 1HZ LYS 4 -3.699 2.606 -11.897
33 HZ3 LYS 4 2HZ LYS 4 -5.342 2.505 -11.512
34 H VAL 5 H VAL 5 2.189 0.589 -8.654
35 HA VAL 5 HA VAL 5 3.204 2.918 -10.114
36 HB VAL 5 HB VAL 5 4.763 3.183 -8.206
37 HG11 VAL 5 1HG1 VAL 5 3.170 4.086 -6.703
38 HG12 VAL 5 2HG1 VAL 5 2.468 4.231 -8.315
39 HG13 VAL 5 3HG1 VAL 5 1.926 2.952 -7.228
40 HG21 VAL 5 3HG2 VAL 5 4.442 0.597 -7.695
41 HG22 VAL 5 1HG2 VAL 5 4.891 1.751 -6.439
42 HG23 VAL 5 2HG2 VAL 5 3.214 1.227 -6.597
43 H ALA 6 H ALA 6 3.439 0.536 -11.491
44 HA ALA 6 HA ALA 6 6.355 0.167 -11.481
45 HB1 ALA 6 1HB ALA 6 5.762 -1.838 -10.510
46 HB2 ALA 6 2HB ALA 6 4.244 -1.944 -11.403
47 HB3 ALA 6 3HB ALA 6 5.773 -2.261 -12.223
48 H GLN 7 H GLN 7 3.326 -0.173 -13.288
49 HA GLN 7 HA GLN 7 4.533 -0.582 -15.816
50 HB2 GLN 7 2HB GLN 7 2.333 -0.169 -16.742
51 HB3 GLN 7 3HB GLN 7 2.186 -1.170 -15.303
52 HG2 GLN 7 2HG GLN 7 0.480 0.326 -14.997
53 HG3 GLN 7 3HG GLN 7 1.784 1.098 -14.097
54 HE21 GLN 7 1HE2 GLN 7 0.979 3.153 -14.302
55 HE22 GLN 7 2HE2 GLN 7 0.943 4.006 -15.804
56 H GLU 8 H GLU 8 3.870 2.245 -13.927
57 HA GLU 8 HA GLU 8 3.739 4.239 -15.831
58 HB2 GLU 8 2HB GLU 8 4.837 4.150 -13.044
59 HB3 GLU 8 3HB GLU 8 5.023 5.608 -14.008
60 HG2 GLU 8 2HG GLU 8 2.430 4.275 -13.265
61 HG3 GLU 8 3HG GLU 8 3.073 5.772 -12.595
62 H LYS 9 H LYS 9 6.488 2.377 -14.777
63 HA LYS 9 HA LYS 9 8.145 3.793 -16.756
64 HB2 LYS 9 2HB LYS 9 8.779 3.051 -13.930
65 HB3 LYS 9 3HB LYS 9 10.072 3.039 -15.122
66 HG2 LYS 9 2HG LYS 9 8.329 5.443 -14.927
67 HG3 LYS 9 3HG LYS 9 9.563 5.175 -13.693
68 HD2 LYS 9 2HD LYS 9 11.154 4.816 -15.702
69 HD3 LYS 9 3HD LYS 9 9.898 5.629 -16.638
70 HE2 LYS 9 2HE LYS 9 10.066 7.367 -14.642
71 HE3 LYS 9 3HE LYS 9 11.690 6.692 -14.518
72 HZ1 LYS 9 3HZ LYS 9 12.331 7.786 -16.327
73 HZ2 LYS 9 1HZ LYS 9 10.893 8.669 -16.220
74 HZ3 LYS 9 2HZ LYS 9 10.975 7.305 -17.216
75 H GLY 10 H GLY 10 8.512 0.913 -14.682
76 HA2 GLY 10 2HA GLY 10 8.133 -1.033 -16.625
77 HA3 GLY 10 3HA GLY 10 9.828 -0.577 -16.709
78 H PHE 11 H PHE 11 10.716 -2.445 -15.948
79 HA PHE 11 HA PHE 11 9.785 -3.513 -13.396
80 HB2 PHE 11 2HB PHE 11 10.150 -5.157 -15.122
81 HB3 PHE 11 3HB PHE 11 11.778 -4.553 -15.417
82 HD1 PHE 11 HD1 PHE 11 9.666 -6.103 -12.780
83 HD2 PHE 11 HD2 PHE 11 13.585 -5.511 -14.332
84 HE1 PHE 11 HE1 PHE 11 10.553 -7.713 -11.144
85 HE2 PHE 11 HE2 PHE 11 14.478 -7.121 -12.700
86 HZ PHE 11 HZ PHE 11 12.962 -8.225 -11.104
87 H LEU 12 H LEU 12 12.729 -2.220 -14.885
88 HA LEU 12 HA LEU 12 14.427 -2.487 -12.678
89 HB2 LEU 12 2HB LEU 12 14.480 -0.330 -14.782
90 HB3 LEU 12 3HB LEU 12 15.821 -0.811 -13.744
91 HG LEU 12 HG LEU 12 14.590 -2.813 -15.591
92 HD11 LEU 12 1HD1 LEU 12 15.280 -0.502 -16.689
93 HD12 LEU 12 2HD1 LEU 12 15.625 -2.047 -17.465
94 HD13 LEU 12 3HD1 LEU 12 16.890 -1.213 -16.563
95 HD21 LEU 12 3HD2 LEU 12 16.152 -3.833 -14.237
96 HD22 LEU 12 1HD2 LEU 12 17.189 -2.407 -14.177
97 HD23 LEU 12 2HD2 LEU 12 17.131 -3.393 -15.638
98 H TYR 13 H TYR 13 12.010 -0.088 -13.455
99 HA TYR 13 HA TYR 13 12.757 1.983 -11.762
100 HB2 TYR 13 2HB TYR 13 10.968 2.319 -13.319
101 HB3 TYR 13 3HB TYR 13 10.019 1.022 -12.601
102 HD1 TYR 13 HD1 TYR 13 11.255 4.462 -12.100
103 HD2 TYR 13 HD2 TYR 13 8.657 1.407 -10.680
104 HE1 TYR 13 HE1 TYR 13 10.144 6.096 -10.635
105 HE2 TYR 13 HE2 TYR 13 7.538 3.033 -9.212
106 HH TYR 13 HH TYR 13 8.513 5.507 -8.128
107 H ARG 14 H ARG 14 10.813 -0.899 -11.066
108 HA ARG 14 HA ARG 14 10.126 -0.277 -8.428
109 HB2 ARG 14 2HB ARG 14 10.338 -2.794 -10.013
110 HB3 ARG 14 3HB ARG 14 10.181 -2.927 -8.266
111 HG2 ARG 14 2HG ARG 14 8.085 -1.819 -8.282
112 HG3 ARG 14 3HG ARG 14 8.280 -1.340 -9.969
113 HD2 ARG 14 2HD ARG 14 8.317 -4.236 -9.245
114 HD3 ARG 14 3HD ARG 14 6.776 -3.384 -9.332
115 HE ARG 14 HE ARG 14 8.303 -2.891 -11.660
116 HH11 ARG 14 1HH1 ARG 14 6.422 -5.368 -10.096
117 HH12 ARG 14 2HH1 ARG 14 5.976 -6.148 -11.577
118 HH21 ARG 14 1HH2 ARG 14 7.723 -3.909 -13.617
119 HH22 ARG 14 2HH2 ARG 14 6.717 -5.317 -13.580
120 H LEU 15 H LEU 15 13.087 -1.473 -9.803
121 HA LEU 15 HA LEU 15 14.225 -2.388 -7.343
122 HB2 LEU 15 2HB LEU 15 15.656 -1.601 -9.874
123 HB3 LEU 15 3HB LEU 15 16.274 -2.623 -8.578
124 HG LEU 15 HG LEU 15 14.028 -3.322 -10.468
125 HD11 LEU 15 1HD1 LEU 15 15.606 -4.989 -11.329
126 HD12 LEU 15 2HD1 LEU 15 16.859 -4.340 -10.271
127 HD13 LEU 15 3HD1 LEU 15 16.193 -3.342 -11.564
128 HD21 LEU 15 3HD2 LEU 15 14.149 -5.540 -9.436
129 HD22 LEU 15 1HD2 LEU 15 13.689 -4.303 -8.267
130 HD23 LEU 15 2HD2 LEU 15 15.336 -4.935 -8.279
131 H THR 16 H THR 16 13.644 -0.413 -6.121
132 HA THR 16 HA THR 16 15.867 1.497 -6.222
133 HB THR 16 HB THR 16 14.147 3.299 -5.561
134 HG1 THR 16 HG1 THR 16 12.358 1.672 -7.034
135 HG21 THR 16 3HG2 THR 16 14.947 3.876 -7.584
136 HG22 THR 16 1HG2 THR 16 13.415 3.248 -8.190
137 HG23 THR 16 2HG2 THR 16 14.852 2.226 -8.199
138 H SER 17 H SER 17 16.175 2.679 -4.208
139 HA SER 17 HA SER 17 16.187 1.041 -1.964
140 HB2 SER 17 2HB SER 17 17.482 3.253 -2.473
141 HB3 SER 17 3HB SER 17 16.114 4.028 -1.674
142 HG SER 17 HG SER 17 17.747 3.553 -0.177
143 H ARG 18 H ARG 18 14.000 3.752 -2.704
144 HA ARG 18 HA ARG 18 12.420 3.678 -0.443
145 HB2 ARG 18 2HB ARG 18 11.953 4.506 -3.270
146 HB3 ARG 18 3HB ARG 18 10.563 4.391 -2.199
147 HG2 ARG 18 2HG ARG 18 11.219 6.617 -2.051
148 HG3 ARG 18 3HG ARG 18 11.901 5.874 -0.603
149 HD2 ARG 18 2HD ARG 18 14.060 5.968 -1.411
150 HD3 ARG 18 3HD ARG 18 13.538 6.013 -3.094
151 HE ARG 18 HE ARG 18 12.629 8.352 -1.959
152 HH11 ARG 18 1HH1 ARG 18 15.708 6.807 -2.460
153 HH12 ARG 18 2HH1 ARG 18 16.585 8.297 -2.572
154 HH21 ARG 18 1HH2 ARG 18 13.772 10.321 -2.105
155 HH22 ARG 18 2HH2 ARG 18 15.483 10.295 -2.370
156 H TYR 19 H TYR 19 12.135 1.749 -3.396
157 HA TYR 19 HA TYR 19 9.739 0.428 -2.643
158 HB2 TYR 19 2HB TYR 19 10.323 0.477 -4.963
159 HB3 TYR 19 3HB TYR 19 11.891 -0.257 -4.648
160 HD1 TYR 19 HD2 TYR 19 8.269 -0.883 -4.852
161 HD2 TYR 19 HD1 TYR 19 12.122 -2.631 -4.402
162 HE1 TYR 19 HE2 TYR 19 7.301 -3.107 -5.260
163 HE2 TYR 19 HE1 TYR 19 11.165 -4.860 -4.810
164 HH TYR 19 HH TYR 19 8.299 -5.722 -4.465
165 H ARG 20 H ARG 20 13.167 -0.430 -2.387
166 HA ARG 20 HA ARG 20 12.792 -3.019 -1.345
167 HB2 ARG 20 2HB ARG 20 15.075 -1.062 -1.217
168 HB3 ARG 20 3HB ARG 20 15.160 -2.625 -0.417
169 HG2 ARG 20 2HG ARG 20 15.395 -3.758 -2.353
170 HG3 ARG 20 3HG ARG 20 14.347 -2.658 -3.251
171 HD2 ARG 20 2HD ARG 20 16.135 -1.652 -4.095
172 HD3 ARG 20 3HD ARG 20 16.644 -1.202 -2.468
173 HE ARG 20 HE ARG 20 17.739 -3.283 -4.108
174 HH11 ARG 20 1HH1 ARG 20 17.226 -2.215 -0.834
175 HH12 ARG 20 2HH1 ARG 20 18.561 -3.115 -0.193
176 HH21 ARG 20 1HH2 ARG 20 19.499 -4.472 -3.276
177 HH22 ARG 20 2HH2 ARG 20 19.854 -4.397 -1.584
178 H HIS 21 H HIS 21 12.625 0.125 0.101
179 HA HIS 21 HA HIS 21 12.942 -0.749 2.809
180 HB2 HIS 21 2HB HIS 21 12.114 1.799 1.476
181 HB3 HIS 21 3HB HIS 21 11.790 1.588 3.194
182 HD1 HIS 21 HD1 HIS 21 14.905 0.067 1.894
183 HD2 HIS 21 HD2 HIS 21 13.721 3.617 3.699
184 HE1 HIS 21 HE1 HIS 21 17.032 1.188 2.631
185 H TYR 22 H TYR 22 10.116 0.438 0.980
186 HA TYR 22 HA TYR 22 8.186 -0.094 2.903
187 HB2 TYR 22 2HB TYR 22 7.915 -0.186 -0.109
188 HB3 TYR 22 3HB TYR 22 6.570 -0.116 1.024
189 HD1 TYR 22 HD2 TYR 22 7.349 1.875 2.954
190 HD2 TYR 22 HD1 TYR 22 8.018 1.823 -1.247
191 HE1 TYR 22 HE2 TYR 22 7.468 4.332 2.948
192 HE2 TYR 22 HE1 TYR 22 8.140 4.279 -1.265
193 HH TYR 22 HH TYR 22 7.836 6.147 -0.070
194 H ALA 23 H ALA 23 9.480 -2.197 0.368
195 HA ALA 23 HA ALA 23 7.739 -4.380 0.894
196 HB1 ALA 23 1HB ALA 23 8.591 -4.823 -1.122
197 HB2 ALA 23 2HB ALA 23 10.026 -3.839 -0.831
198 HB3 ALA 23 3HB ALA 23 9.966 -5.503 -0.251
199 H ALA 24 H ALA 24 10.324 -3.106 2.629
200 HA ALA 24 HA ALA 24 11.058 -5.663 3.843
201 HB1 ALA 24 1HB ALA 24 12.383 -3.126 3.454
202 HB2 ALA 24 2HB ALA 24 12.475 -3.651 5.135
203 HB3 ALA 24 3HB ALA 24 13.064 -4.704 3.850
204 H PHE 25 H PHE 25 8.670 -3.490 4.246
205 HA PHE 25 HA PHE 25 8.503 -4.028 7.133
206 HB2 PHE 25 2HB PHE 25 7.488 -1.481 5.879
207 HB3 PHE 25 3HB PHE 25 7.695 -1.841 7.590
208 HD1 PHE 25 HD1 PHE 25 10.383 -2.909 7.733
209 HD2 PHE 25 HD2 PHE 25 8.861 0.304 5.392
210 HE1 PHE 25 HE1 PHE 25 12.623 -1.894 7.676
211 HE2 PHE 25 HE2 PHE 25 11.099 1.324 5.331
212 HZ PHE 25 HZ PHE 25 12.984 0.225 6.473
213 H GLU 26 H GLU 26 6.663 -3.043 4.253
214 HA GLU 26 HA GLU 26 4.100 -3.477 5.168
215 HB2 GLU 26 2HB GLU 26 5.413 -3.392 2.545
216 HB3 GLU 26 3HB GLU 26 3.942 -4.354 2.571
217 HG2 GLU 26 2HG GLU 26 3.885 -1.654 3.807
218 HG3 GLU 26 3HG GLU 26 3.901 -1.778 2.048
219 H ARG 27 H ARG 27 6.448 -5.821 3.990
220 HA ARG 27 HA ARG 27 4.871 -7.959 5.184
221 HB2 ARG 27 2HB ARG 27 5.442 -7.687 2.269
222 HB3 ARG 27 3HB ARG 27 5.492 -9.295 2.979
223 HG2 ARG 27 2HG ARG 27 3.133 -7.506 3.411
224 HG3 ARG 27 3HG ARG 27 3.294 -8.461 1.936
225 HD2 ARG 27 2HD ARG 27 3.592 -9.739 4.627
226 HD3 ARG 27 3HD ARG 27 1.993 -9.448 3.943
227 HE ARG 27 HE ARG 27 3.692 -10.783 2.093
228 HH11 ARG 27 1HH1 ARG 27 1.729 -11.276 4.926
229 HH12 ARG 27 2HH1 ARG 27 1.418 -12.945 4.580
230 HH21 ARG 27 1HH2 ARG 27 3.289 -12.979 1.626
231 HH22 ARG 27 2HH2 ARG 27 2.306 -13.913 2.703
232 H ALA 28 H ALA 28 7.822 -7.086 3.420
233 HA ALA 28 HA ALA 28 10.004 -7.658 3.727
234 HB1 ALA 28 1HB ALA 28 10.591 -7.389 5.848
235 HB2 ALA 28 2HB ALA 28 8.895 -7.533 6.310
236 HB3 ALA 28 3HB ALA 28 9.921 -8.966 6.267
237 H THR 29 H THR 29 7.787 -9.666 2.931
238 HA THR 29 HA THR 29 8.858 -12.228 3.648
239 HB THR 29 HB THR 29 6.434 -11.774 3.056
240 HG1 THR 29 HG1 THR 29 7.064 -13.899 3.158
241 HG21 THR 29 3HG2 THR 29 7.116 -10.487 0.945
242 HG22 THR 29 1HG2 THR 29 5.755 -11.600 0.816
243 HG23 THR 29 2HG2 THR 29 7.341 -12.072 0.206
244 H PHE 30 H PHE 30 9.244 -9.990 0.995
245 HA PHE 30 HA PHE 30 10.270 -11.599 -0.991
246 HB2 PHE 30 2HB PHE 30 11.346 -8.865 -0.285
247 HB3 PHE 30 3HB PHE 30 11.369 -9.641 -1.865
248 HD1 PHE 30 HD2 PHE 30 9.215 -10.004 -3.077
249 HD2 PHE 30 HD1 PHE 30 9.483 -7.630 0.446
250 HE1 PHE 30 HE2 PHE 30 7.058 -8.955 -3.624
251 HE2 PHE 30 HE1 PHE 30 7.326 -6.578 -0.095
252 HZ PHE 30 HZ PHE 30 6.111 -7.239 -2.133
Start of MODEL 8
1 H1 TYR 1 H TYR 1 1.619 -5.502 -2.540
2 HA TYR 1 HA TYR 1 0.178 -3.583 -2.850
3 HB2 TYR 1 2HB TYR 1 1.514 -1.796 -1.634
4 HB3 TYR 1 3HB TYR 1 1.383 -3.351 -0.820
5 HD1 TYR 1 HD1 TYR 1 3.324 -4.810 -0.600
6 HD2 TYR 1 HD2 TYR 1 3.636 -1.020 -2.508
7 HE1 TYR 1 HE1 TYR 1 5.774 -4.930 -0.425
8 HE2 TYR 1 HE2 TYR 1 6.087 -1.131 -2.340
9 HH TYR 1 HH TYR 1 7.844 -2.689 -2.047
10 H ALA 2 H ALA 2 1.645 -4.119 -5.366
11 HA ALA 2 HA ALA 2 1.825 -1.333 -6.304
12 HB1 ALA 2 1HB ALA 2 4.004 -2.891 -6.117
13 HB2 ALA 2 2HB ALA 2 3.456 -3.331 -7.735
14 HB3 ALA 2 3HB ALA 2 3.801 -1.645 -7.350
15 H GLU 3 H GLU 3 0.270 -0.926 -7.720
16 HA GLU 3 HA GLU 3 -0.616 -3.101 -9.501
17 HB2 GLU 3 2HB GLU 3 -2.235 -0.947 -8.148
18 HB3 GLU 3 3HB GLU 3 -2.843 -1.868 -9.516
19 HG2 GLU 3 2HG GLU 3 -1.788 -3.317 -7.138
20 HG3 GLU 3 3HG GLU 3 -3.392 -2.590 -7.072
21 H LYS 4 H LYS 4 -0.216 0.398 -9.138
22 HA LYS 4 HA LYS 4 -0.179 0.641 -12.072
23 HB2 LYS 4 2HB LYS 4 -1.901 1.970 -10.810
24 HB3 LYS 4 3HB LYS 4 -0.581 2.856 -10.057
25 HG2 LYS 4 2HG LYS 4 0.039 3.873 -12.064
26 HG3 LYS 4 3HG LYS 4 -0.858 2.705 -13.037
27 HD2 LYS 4 2HD LYS 4 -2.228 4.571 -13.115
28 HD3 LYS 4 3HD LYS 4 -2.932 3.643 -11.788
29 HE2 LYS 4 2HE LYS 4 -2.031 5.058 -10.165
30 HE3 LYS 4 3HE LYS 4 -0.837 5.725 -11.277
31 HZ1 LYS 4 3HZ LYS 4 -2.956 6.548 -12.519
32 HZ2 LYS 4 1HZ LYS 4 -2.360 7.409 -11.189
33 HZ3 LYS 4 2HZ LYS 4 -3.686 6.375 -11.002
34 H VAL 5 H VAL 5 1.533 1.402 -9.102
35 HA VAL 5 HA VAL 5 3.714 2.655 -10.583
36 HB VAL 5 HB VAL 5 4.703 3.075 -8.350
37 HG11 VAL 5 1HG1 VAL 5 3.408 4.839 -9.214
38 HG12 VAL 5 2HG1 VAL 5 1.893 3.991 -8.898
39 HG13 VAL 5 3HG1 VAL 5 2.848 4.624 -7.556
40 HG21 VAL 5 3HG2 VAL 5 3.633 1.063 -7.284
41 HG22 VAL 5 1HG2 VAL 5 3.549 2.549 -6.338
42 HG23 VAL 5 2HG2 VAL 5 2.131 1.985 -7.222
43 H ALA 6 H ALA 6 3.388 -0.014 -11.229
44 HA ALA 6 HA ALA 6 5.757 -1.234 -9.969
45 HB1 ALA 6 1HB ALA 6 4.642 -3.104 -9.520
46 HB2 ALA 6 2HB ALA 6 3.162 -2.233 -9.922
47 HB3 ALA 6 3HB ALA 6 3.988 -3.183 -11.157
48 H GLN 7 H GLN 7 3.753 -1.156 -12.906
49 HA GLN 7 HA GLN 7 5.957 -2.205 -14.488
50 HB2 GLN 7 2HB GLN 7 4.382 -2.304 -16.314
51 HB3 GLN 7 3HB GLN 7 3.631 -2.984 -14.876
52 HG2 GLN 7 2HG GLN 7 1.923 -1.699 -15.648
53 HG3 GLN 7 3HG GLN 7 2.723 -0.539 -14.589
54 HE21 GLN 7 1HE2 GLN 7 2.939 -1.699 -17.937
55 HE22 GLN 7 2HE2 GLN 7 3.140 -0.137 -18.646
56 H GLU 8 H GLU 8 4.354 0.811 -13.826
57 HA GLU 8 HA GLU 8 5.063 2.346 -16.010
58 HB2 GLU 8 2HB GLU 8 4.599 2.941 -13.124
59 HB3 GLU 8 3HB GLU 8 5.288 4.205 -14.132
60 HG2 GLU 8 2HG GLU 8 2.679 2.782 -14.606
61 HG3 GLU 8 3HG GLU 8 2.878 4.420 -13.986
62 H LYS 9 H LYS 9 6.813 3.725 -16.469
63 HA LYS 9 HA LYS 9 9.020 4.214 -16.732
64 HB2 LYS 9 2HB LYS 9 8.829 3.822 -13.756
65 HB3 LYS 9 3HB LYS 9 10.359 4.228 -14.523
66 HG2 LYS 9 2HG LYS 9 7.900 5.883 -14.966
67 HG3 LYS 9 3HG LYS 9 8.950 6.132 -13.569
68 HD2 LYS 9 2HD LYS 9 9.963 6.125 -16.405
69 HD3 LYS 9 3HD LYS 9 9.420 7.589 -15.580
70 HE2 LYS 9 2HE LYS 9 11.084 6.853 -13.730
71 HE3 LYS 9 3HE LYS 9 11.786 5.849 -14.997
72 HZ1 LYS 9 3HZ LYS 9 11.299 8.601 -15.745
73 HZ2 LYS 9 1HZ LYS 9 12.646 7.620 -16.038
74 HZ3 LYS 9 2HZ LYS 9 12.471 8.392 -14.544
75 H GLY 10 H GLY 10 8.112 1.413 -16.991
76 HA2 GLY 10 2HA GLY 10 9.155 -0.546 -17.623
77 HA3 GLY 10 3HA GLY 10 10.698 0.219 -17.276
78 H PHE 11 H PHE 11 10.499 -2.368 -16.655
79 HA PHE 11 HA PHE 11 9.499 -2.931 -14.069
80 HB2 PHE 11 2HB PHE 11 9.874 -4.752 -15.586
81 HB3 PHE 11 3HB PHE 11 11.571 -4.319 -15.773
82 HD1 PHE 11 HD2 PHE 11 13.182 -4.817 -14.019
83 HD2 PHE 11 HD1 PHE 11 9.097 -5.958 -13.662
84 HE1 PHE 11 HE2 PHE 11 13.774 -6.348 -12.187
85 HE2 PHE 11 HE1 PHE 11 9.682 -7.491 -11.828
86 HZ PHE 11 HZ PHE 11 12.023 -7.688 -11.089
87 H LEU 12 H LEU 12 12.536 -1.670 -15.247
88 HA LEU 12 HA LEU 12 14.161 -2.102 -13.026
89 HB2 LEU 12 2HB LEU 12 14.105 0.067 -15.100
90 HB3 LEU 12 3HB LEU 12 15.315 0.041 -13.819
91 HG LEU 12 HG LEU 12 15.889 -2.310 -14.677
92 HD11 LEU 12 1HD1 LEU 12 15.417 -2.235 -17.281
93 HD12 LEU 12 2HD1 LEU 12 13.991 -1.348 -16.745
94 HD13 LEU 12 3HD1 LEU 12 14.289 -2.981 -16.149
95 HD21 LEU 12 3HD2 LEU 12 17.104 -1.165 -16.715
96 HD22 LEU 12 1HD2 LEU 12 17.559 -0.794 -15.052
97 HD23 LEU 12 2HD2 LEU 12 16.512 0.309 -15.946
98 H TYR 13 H TYR 13 11.562 0.136 -13.509
99 HA TYR 13 HA TYR 13 12.120 2.135 -11.691
100 HB2 TYR 13 2HB TYR 13 10.182 2.312 -13.087
101 HB3 TYR 13 3HB TYR 13 9.485 0.845 -12.409
102 HD1 TYR 13 HD1 TYR 13 8.416 0.869 -10.224
103 HD2 TYR 13 HD2 TYR 13 10.086 4.415 -11.879
104 HE1 TYR 13 HE1 TYR 13 7.203 2.210 -8.557
105 HE2 TYR 13 HE2 TYR 13 8.878 5.766 -10.216
106 HH TYR 13 HH TYR 13 7.523 5.749 -8.462
107 H ARG 14 H ARG 14 10.595 -1.013 -11.081
108 HA ARG 14 HA ARG 14 10.056 -0.688 -8.369
109 HB2 ARG 14 2HB ARG 14 10.580 -3.068 -10.109
110 HB3 ARG 14 3HB ARG 14 10.447 -3.283 -8.369
111 HG2 ARG 14 2HG ARG 14 8.220 -2.799 -8.336
112 HG3 ARG 14 3HG ARG 14 8.315 -1.748 -9.751
113 HD2 ARG 14 2HD ARG 14 8.126 -3.483 -11.223
114 HD3 ARG 14 3HD ARG 14 8.890 -4.635 -10.129
115 HE ARG 14 HE ARG 14 6.512 -4.028 -8.934
116 HH11 ARG 14 1HH1 ARG 14 7.465 -5.244 -12.054
117 HH12 ARG 14 2HH1 ARG 14 6.013 -6.160 -12.286
118 HH21 ARG 14 1HH2 ARG 14 4.596 -5.231 -9.227
119 HH22 ARG 14 2HH2 ARG 14 4.381 -6.151 -10.678
120 H LEU 15 H LEU 15 13.052 -1.304 -10.013
121 HA LEU 15 HA LEU 15 14.480 -2.164 -7.672
122 HB2 LEU 15 2HB LEU 15 15.584 -1.153 -10.287
123 HB3 LEU 15 3HB LEU 15 16.447 -2.083 -9.063
124 HG LEU 15 HG LEU 15 14.173 -3.089 -10.773
125 HD11 LEU 15 1HD1 LEU 15 15.911 -4.513 -11.781
126 HD12 LEU 15 2HD1 LEU 15 17.133 -3.653 -10.845
127 HD13 LEU 15 3HD1 LEU 15 16.193 -2.795 -12.066
128 HD21 LEU 15 3HD2 LEU 15 14.219 -4.099 -8.534
129 HD22 LEU 15 1HD2 LEU 15 15.906 -4.550 -8.784
130 HD23 LEU 15 2HD2 LEU 15 14.646 -5.258 -9.794
131 H THR 16 H THR 16 13.422 -0.081 -6.645
132 HA THR 16 HA THR 16 15.372 2.118 -6.871
133 HB THR 16 HB THR 16 13.450 3.423 -5.666
134 HG1 THR 16 HG1 THR 16 11.945 1.432 -7.040
135 HG21 THR 16 3HG2 THR 16 13.875 4.331 -7.702
136 HG22 THR 16 1HG2 THR 16 12.337 3.570 -8.107
137 HG23 THR 16 2HG2 THR 16 13.853 2.771 -8.523
138 H SER 17 H SER 17 15.313 3.476 -4.718
139 HA SER 17 HA SER 17 16.306 1.731 -2.676
140 HB2 SER 17 2HB SER 17 17.038 4.175 -3.322
141 HB3 SER 17 3HB SER 17 15.774 4.638 -2.184
142 HG SER 17 HG SER 17 17.604 2.687 -1.385
143 H ARG 18 H ARG 18 13.420 3.709 -3.116
144 HA ARG 18 HA ARG 18 12.385 3.378 -0.505
145 HB2 ARG 18 2HB ARG 18 10.759 3.825 -3.008
146 HB3 ARG 18 3HB ARG 18 10.345 4.282 -1.361
147 HG2 ARG 18 2HG ARG 18 12.539 5.463 -3.050
148 HG3 ARG 18 3HG ARG 18 11.007 6.227 -2.620
149 HD2 ARG 18 2HD ARG 18 11.776 5.824 -0.180
150 HD3 ARG 18 3HD ARG 18 13.378 5.632 -0.891
151 HE ARG 18 HE ARG 18 12.280 8.001 -1.873
152 HH11 ARG 18 1HH1 ARG 18 13.370 6.658 1.148
153 HH12 ARG 18 2HH1 ARG 18 13.828 8.190 1.815
154 HH21 ARG 18 1HH2 ARG 18 12.879 10.025 -1.007
155 HH22 ARG 18 2HH2 ARG 18 13.547 10.105 0.588
156 H TYR 19 H TYR 19 11.773 1.652 -3.549
157 HA TYR 19 HA TYR 19 9.792 -0.080 -2.702
158 HB2 TYR 19 2HB TYR 19 10.371 0.008 -5.023
159 HB3 TYR 19 3HB TYR 19 12.024 -0.497 -4.693
160 HD1 TYR 19 HD2 TYR 19 8.517 -1.625 -4.845
161 HD2 TYR 19 HD1 TYR 19 12.584 -2.806 -4.439
162 HE1 TYR 19 HE2 TYR 19 7.866 -3.969 -5.207
163 HE2 TYR 19 HE1 TYR 19 11.945 -5.154 -4.802
164 HH TYR 19 HH TYR 19 8.548 -6.089 -5.216
165 H ARG 20 H ARG 20 13.314 -0.584 -2.601
166 HA ARG 20 HA ARG 20 13.281 -3.122 -1.434
167 HB2 ARG 20 2HB ARG 20 15.329 -0.908 -1.304
168 HB3 ARG 20 3HB ARG 20 15.605 -2.515 -0.643
169 HG2 ARG 20 2HG ARG 20 14.885 -3.233 -3.092
170 HG3 ARG 20 3HG ARG 20 15.482 -1.614 -3.461
171 HD2 ARG 20 2HD ARG 20 17.246 -3.283 -3.707
172 HD3 ARG 20 3HD ARG 20 17.614 -2.151 -2.406
173 HE ARG 20 HE ARG 20 17.513 -3.886 -0.914
174 HH11 ARG 20 1HH1 ARG 20 16.057 -4.873 -3.919
175 HH12 ARG 20 2HH1 ARG 20 15.898 -6.532 -3.448
176 HH21 ARG 20 1HH2 ARG 20 17.309 -6.068 -0.282
177 HH22 ARG 20 2HH2 ARG 20 16.610 -7.211 -1.379
178 H HIS 21 H HIS 21 12.767 0.017 -0.063
179 HA HIS 21 HA HIS 21 13.187 -0.826 2.663
180 HB2 HIS 21 2HB HIS 21 12.401 1.700 1.297
181 HB3 HIS 21 3HB HIS 21 11.921 1.503 2.980
182 HD1 HIS 21 HD1 HIS 21 15.163 0.031 1.918
183 HD2 HIS 21 HD2 HIS 21 13.773 3.511 3.714
184 HE1 HIS 21 HE1 HIS 21 17.203 1.165 2.856
185 H TYR 22 H TYR 22 10.355 0.203 0.759
186 HA TYR 22 HA TYR 22 8.408 -0.285 2.678
187 HB2 TYR 22 2HB TYR 22 8.272 -0.442 -0.335
188 HB3 TYR 22 3HB TYR 22 6.855 -0.567 0.702
189 HD1 TYR 22 HD1 TYR 22 6.932 1.436 2.614
190 HD2 TYR 22 HD2 TYR 22 8.508 1.614 -1.334
191 HE1 TYR 22 HE1 TYR 22 6.740 3.888 2.654
192 HE2 TYR 22 HE2 TYR 22 8.322 4.066 -1.305
193 HH TYR 22 HH TYR 22 7.914 5.846 1.436
194 H ALA 23 H ALA 23 9.847 -2.479 0.310
195 HA ALA 23 HA ALA 23 8.158 -4.687 0.902
196 HB1 ALA 23 1HB ALA 23 10.447 -5.803 -0.108
197 HB2 ALA 23 2HB ALA 23 9.090 -5.203 -1.063
198 HB3 ALA 23 3HB ALA 23 10.489 -4.170 -0.773
199 H ALA 24 H ALA 24 10.630 -3.228 2.647
200 HA ALA 24 HA ALA 24 11.389 -5.692 4.037
201 HB1 ALA 24 1HB ALA 24 12.498 -2.906 4.358
202 HB2 ALA 24 2HB ALA 24 13.145 -4.384 5.070
203 HB3 ALA 24 3HB ALA 24 13.178 -4.160 3.321
204 H PHE 25 H PHE 25 8.960 -3.540 4.233
205 HA PHE 25 HA PHE 25 8.737 -3.870 7.148
206 HB2 PHE 25 2HB PHE 25 7.707 -1.445 5.682
207 HB3 PHE 25 3HB PHE 25 7.866 -1.674 7.420
208 HD1 PHE 25 HD2 PHE 25 10.574 -2.685 7.705
209 HD2 PHE 25 HD1 PHE 25 9.055 0.339 5.122
210 HE1 PHE 25 HE2 PHE 25 12.795 -1.629 7.640
211 HE2 PHE 25 HE1 PHE 25 11.274 1.399 5.052
212 HZ PHE 25 HZ PHE 25 13.148 0.416 6.313
213 H GLU 26 H GLU 26 6.936 -3.125 4.171
214 HA GLU 26 HA GLU 26 4.366 -3.559 5.066
215 HB2 GLU 26 2HB GLU 26 5.728 -3.677 2.453
216 HB3 GLU 26 3HB GLU 26 4.221 -4.577 2.547
217 HG2 GLU 26 2HG GLU 26 4.251 -1.796 3.581
218 HG3 GLU 26 3HG GLU 26 4.292 -2.040 1.836
219 H ARG 27 H ARG 27 6.791 -5.917 4.095
220 HA ARG 27 HA ARG 27 5.233 -8.011 5.389
221 HB2 ARG 27 2HB ARG 27 5.874 -7.915 2.477
222 HB3 ARG 27 3HB ARG 27 5.943 -9.472 3.293
223 HG2 ARG 27 2HG ARG 27 3.532 -7.723 3.559
224 HG3 ARG 27 3HG ARG 27 3.754 -8.750 2.141
225 HD2 ARG 27 2HD ARG 27 4.070 -10.680 3.720
226 HD3 ARG 27 3HD ARG 27 3.575 -9.602 5.024
227 HE ARG 27 HE ARG 27 1.585 -9.433 3.138
228 HH11 ARG 27 1HH1 ARG 27 3.042 -11.962 5.035
229 HH12 ARG 27 2HH1 ARG 27 1.601 -12.921 5.102
230 HH21 ARG 27 1HH2 ARG 27 -0.319 -10.686 3.219
231 HH22 ARG 27 2HH2 ARG 27 -0.310 -12.195 4.068
232 H ALA 28 H ALA 28 8.210 -7.180 3.647
233 HA ALA 28 HA ALA 28 10.395 -7.677 4.045
234 HB1 ALA 28 1HB ALA 28 9.211 -7.421 6.588
235 HB2 ALA 28 2HB ALA 28 10.281 -8.821 6.660
236 HB3 ALA 28 3HB ALA 28 10.913 -7.253 6.159
237 H THR 29 H THR 29 8.247 -9.786 3.324
238 HA THR 29 HA THR 29 9.356 -12.270 4.233
239 HB THR 29 HB THR 29 6.940 -11.915 3.548
240 HG1 THR 29 HG1 THR 29 7.415 -14.014 3.758
241 HG21 THR 29 3HG2 THR 29 7.931 -12.373 0.749
242 HG22 THR 29 1HG2 THR 29 7.656 -10.749 1.375
243 HG23 THR 29 2HG2 THR 29 6.320 -11.897 1.285
244 H PHE 30 H PHE 30 9.766 -10.198 1.452
245 HA PHE 30 HA PHE 30 10.885 -11.905 -0.398
246 HB2 PHE 30 2HB PHE 30 11.876 -9.104 0.158
247 HB3 PHE 30 3HB PHE 30 11.962 -9.980 -1.367
248 HD1 PHE 30 HD1 PHE 30 9.853 -10.474 -2.611
249 HD2 PHE 30 HD2 PHE 30 9.964 -7.873 0.756
250 HE1 PHE 30 HE1 PHE 30 7.689 -9.517 -3.283
251 HE2 PHE 30 HE2 PHE 30 7.799 -6.912 0.090
252 HZ PHE 30 HZ PHE 30 6.658 -7.734 -1.931
Start of MODEL 9
1 H1 TYR 1 H TYR 1 1.863 1.971 -1.059
2 HA TYR 1 HA TYR 1 3.091 1.029 -3.406
3 HB2 TYR 1 2HB TYR 1 3.800 0.448 -1.088
4 HB3 TYR 1 3HB TYR 1 2.374 -0.574 -0.943
5 HD1 TYR 1 HD2 TYR 1 5.206 -0.081 -3.342
6 HD2 TYR 1 HD1 TYR 1 2.706 -2.827 -1.265
7 HE1 TYR 1 HE2 TYR 1 6.458 -1.956 -4.326
8 HE2 TYR 1 HE1 TYR 1 3.951 -4.710 -2.243
9 HH TYR 1 HH TYR 1 6.854 -4.538 -3.499
10 H ALA 2 H ALA 2 2.623 -0.785 -4.706
11 HA ALA 2 HA ALA 2 1.297 -2.119 -5.987
12 HB1 ALA 2 1HB ALA 2 0.921 -3.022 -3.543
13 HB2 ALA 2 2HB ALA 2 -0.710 -2.404 -3.809
14 HB3 ALA 2 3HB ALA 2 -0.039 -3.621 -4.896
15 H GLU 3 H GLU 3 0.887 0.690 -6.132
16 HA GLU 3 HA GLU 3 -2.003 0.830 -6.688
17 HB2 GLU 3 2HB GLU 3 -0.934 2.430 -4.970
18 HB3 GLU 3 3HB GLU 3 -0.217 3.228 -6.362
19 HG2 GLU 3 2HG GLU 3 -2.338 3.817 -7.232
20 HG3 GLU 3 3HG GLU 3 -3.172 2.771 -6.085
21 H LYS 4 H LYS 4 -0.429 -0.410 -8.550
22 HA LYS 4 HA LYS 4 0.202 -0.398 -10.739
23 HB2 LYS 4 2HB LYS 4 -1.914 1.747 -10.694
24 HB3 LYS 4 3HB LYS 4 -1.139 1.231 -12.187
25 HG2 LYS 4 2HG LYS 4 -1.911 -1.071 -11.756
26 HG3 LYS 4 3HG LYS 4 -2.754 -0.491 -10.318
27 HD2 LYS 4 2HD LYS 4 -4.340 -0.635 -12.108
28 HD3 LYS 4 3HD LYS 4 -4.031 1.073 -11.784
29 HE2 LYS 4 2HE LYS 4 -2.710 1.308 -13.712
30 HE3 LYS 4 3HE LYS 4 -2.531 -0.435 -13.904
31 HZ1 LYS 4 3HZ LYS 4 -5.215 -0.058 -14.025
32 HZ2 LYS 4 1HZ LYS 4 -4.190 -0.255 -15.357
33 HZ3 LYS 4 2HZ LYS 4 -4.616 1.298 -14.839
34 H VAL 5 H VAL 5 1.955 0.988 -9.071
35 HA VAL 5 HA VAL 5 2.800 3.254 -10.756
36 HB VAL 5 HB VAL 5 2.305 3.825 -8.386
37 HG11 VAL 5 1HG1 VAL 5 3.006 1.689 -7.393
38 HG12 VAL 5 2HG1 VAL 5 4.685 2.076 -7.774
39 HG13 VAL 5 3HG1 VAL 5 3.790 3.068 -6.622
40 HG21 VAL 5 3HG2 VAL 5 5.241 4.110 -8.985
41 HG22 VAL 5 1HG2 VAL 5 3.991 5.031 -9.822
42 HG23 VAL 5 2HG2 VAL 5 4.204 5.213 -8.080
43 H ALA 6 H ALA 6 3.757 0.234 -9.287
44 HA ALA 6 HA ALA 6 6.531 0.475 -10.005
45 HB1 ALA 6 1HB ALA 6 5.679 -2.238 -9.518
46 HB2 ALA 6 2HB ALA 6 6.794 -1.226 -8.599
47 HB3 ALA 6 3HB ALA 6 5.061 -1.144 -8.280
48 H GLN 7 H GLN 7 3.660 -1.033 -11.364
49 HA GLN 7 HA GLN 7 4.918 -2.606 -13.322
50 HB2 GLN 7 2HB GLN 7 2.554 -2.861 -12.677
51 HB3 GLN 7 3HB GLN 7 2.189 -1.308 -13.416
52 HG2 GLN 7 2HG GLN 7 1.574 -3.251 -14.814
53 HG3 GLN 7 3HG GLN 7 2.703 -2.144 -15.593
54 HE21 GLN 7 1HE2 GLN 7 4.098 -3.218 -16.778
55 HE22 GLN 7 2HE2 GLN 7 4.864 -4.708 -16.358
56 H GLU 8 H GLU 8 4.266 0.792 -13.149
57 HA GLU 8 HA GLU 8 4.766 1.196 -15.987
58 HB2 GLU 8 2HB GLU 8 4.157 3.135 -13.751
59 HB3 GLU 8 3HB GLU 8 4.419 3.610 -15.423
60 HG2 GLU 8 2HG GLU 8 2.470 2.472 -16.144
61 HG3 GLU 8 3HG GLU 8 2.281 1.675 -14.584
62 H LYS 9 H LYS 9 6.198 3.386 -16.246
63 HA LYS 9 HA LYS 9 8.337 4.151 -16.389
64 HB2 LYS 9 2HB LYS 9 8.255 3.360 -13.476
65 HB3 LYS 9 3HB LYS 9 9.605 4.221 -14.203
66 HG2 LYS 9 2HG LYS 9 6.807 5.279 -14.367
67 HG3 LYS 9 3HG LYS 9 7.835 5.584 -12.965
68 HD2 LYS 9 2HD LYS 9 8.790 6.162 -15.751
69 HD3 LYS 9 3HD LYS 9 7.803 7.325 -14.863
70 HE2 LYS 9 2HE LYS 9 10.218 6.150 -13.561
71 HE3 LYS 9 3HE LYS 9 10.418 7.433 -14.753
72 HZ1 LYS 9 3HZ LYS 9 9.706 8.954 -13.314
73 HZ2 LYS 9 1HZ LYS 9 9.896 7.783 -12.108
74 HZ3 LYS 9 2HZ LYS 9 8.383 8.020 -12.825
75 H GLY 10 H GLY 10 7.800 1.325 -17.001
76 HA2 GLY 10 2HA GLY 10 9.107 -0.398 -17.810
77 HA3 GLY 10 3HA GLY 10 10.527 0.479 -17.259
78 H PHE 11 H PHE 11 11.279 -1.690 -16.666
79 HA PHE 11 HA PHE 11 10.013 -2.801 -14.273
80 HB2 PHE 11 2HB PHE 11 10.494 -4.424 -15.992
81 HB3 PHE 11 3HB PHE 11 12.166 -3.883 -16.098
82 HD1 PHE 11 HD1 PHE 11 9.713 -5.582 -13.920
83 HD2 PHE 11 HD2 PHE 11 13.819 -4.750 -14.667
84 HE1 PHE 11 HE1 PHE 11 10.355 -7.260 -12.239
85 HE2 PHE 11 HE2 PHE 11 14.468 -6.427 -12.988
86 HZ PHE 11 HZ PHE 11 12.735 -7.685 -11.772
87 H LEU 12 H LEU 12 13.052 -1.424 -15.405
88 HA LEU 12 HA LEU 12 14.653 -1.883 -13.187
89 HB2 LEU 12 2HB LEU 12 14.571 0.364 -15.175
90 HB3 LEU 12 3HB LEU 12 15.772 0.309 -13.887
91 HG LEU 12 HG LEU 12 16.311 -2.047 -14.867
92 HD11 LEU 12 1HD1 LEU 12 14.793 -2.501 -16.500
93 HD12 LEU 12 2HD1 LEU 12 16.022 -1.698 -17.476
94 HD13 LEU 12 3HD1 LEU 12 14.596 -0.806 -16.947
95 HD21 LEU 12 3HD2 LEU 12 18.168 -1.064 -15.628
96 HD22 LEU 12 1HD2 LEU 12 17.429 0.447 -15.098
97 HD23 LEU 12 2HD2 LEU 12 17.277 -0.066 -16.778
98 H TYR 13 H TYR 13 12.031 0.347 -13.614
99 HA TYR 13 HA TYR 13 12.560 2.253 -11.677
100 HB2 TYR 13 2HB TYR 13 10.680 2.535 -13.134
101 HB3 TYR 13 3HB TYR 13 9.937 1.046 -12.561
102 HD1 TYR 13 HD2 TYR 13 8.860 0.962 -10.357
103 HD2 TYR 13 HD1 TYR 13 10.501 4.582 -11.877
104 HE1 TYR 13 HE2 TYR 13 7.606 2.233 -8.666
105 HE2 TYR 13 HE1 TYR 13 9.251 5.863 -10.189
106 HH TYR 13 HH TYR 13 7.673 5.772 -8.605
107 H ARG 14 H ARG 14 11.070 -0.940 -11.314
108 HA ARG 14 HA ARG 14 10.371 -0.772 -8.620
109 HB2 ARG 14 2HB ARG 14 11.344 -3.252 -10.045
110 HB3 ARG 14 3HB ARG 14 10.305 -3.185 -8.628
111 HG2 ARG 14 2HG ARG 14 8.697 -1.864 -10.159
112 HG3 ARG 14 3HG ARG 14 9.657 -2.547 -11.473
113 HD2 ARG 14 2HD ARG 14 7.965 -4.106 -11.231
114 HD3 ARG 14 3HD ARG 14 9.261 -4.800 -10.258
115 HE ARG 14 HE ARG 14 7.544 -3.150 -8.698
116 HH11 ARG 14 1HH1 ARG 14 7.812 -6.296 -10.164
117 HH12 ARG 14 2HH1 ARG 14 6.751 -7.060 -9.028
118 HH21 ARG 14 1HH2 ARG 14 6.145 -4.144 -7.196
119 HH22 ARG 14 2HH2 ARG 14 5.803 -5.835 -7.340
120 H LEU 15 H LEU 15 13.454 -1.425 -10.145
121 HA LEU 15 HA LEU 15 14.771 -2.319 -7.774
122 HB2 LEU 15 2HB LEU 15 16.100 -1.121 -10.187
123 HB3 LEU 15 3HB LEU 15 16.766 -2.282 -9.041
124 HG LEU 15 HG LEU 15 14.550 -2.875 -11.002
125 HD11 LEU 15 1HD1 LEU 15 17.463 -3.641 -11.115
126 HD12 LEU 15 2HD1 LEU 15 16.691 -2.413 -12.118
127 HD13 LEU 15 3HD1 LEU 15 16.208 -4.103 -12.265
128 HD21 LEU 15 3HD2 LEU 15 14.365 -4.311 -9.116
129 HD22 LEU 15 1HD2 LEU 15 16.107 -4.581 -9.070
130 HD23 LEU 15 2HD2 LEU 15 15.148 -5.238 -10.397
131 H THR 16 H THR 16 14.044 -0.601 -6.335
132 HA THR 16 HA THR 16 15.930 1.638 -6.363
133 HB THR 16 HB THR 16 14.035 3.137 -5.536
134 HG1 THR 16 HG1 THR 16 12.352 1.353 -6.947
135 HG21 THR 16 3HG2 THR 16 14.310 2.158 -8.357
136 HG22 THR 16 1HG2 THR 16 14.867 3.673 -7.647
137 HG23 THR 16 2HG2 THR 16 13.148 3.420 -7.951
138 H SER 17 H SER 17 15.975 2.786 -4.239
139 HA SER 17 HA SER 17 16.378 0.965 -2.143
140 HB2 SER 17 2HB SER 17 17.367 3.329 -2.471
141 HB3 SER 17 3HB SER 17 15.893 3.903 -1.692
142 HG SER 17 HG SER 17 17.776 3.456 -0.296
143 H ARG 18 H ARG 18 13.780 3.345 -2.646
144 HA ARG 18 HA ARG 18 12.309 2.893 -0.355
145 HB2 ARG 18 2HB ARG 18 11.619 3.800 -3.113
146 HB3 ARG 18 3HB ARG 18 10.305 3.415 -2.010
147 HG2 ARG 18 2HG ARG 18 10.607 5.692 -1.719
148 HG3 ARG 18 3HG ARG 18 11.499 4.990 -0.368
149 HD2 ARG 18 2HD ARG 18 13.571 5.410 -1.367
150 HD3 ARG 18 3HD ARG 18 12.856 5.629 -2.964
151 HE ARG 18 HE ARG 18 11.949 7.584 -1.089
152 HH11 ARG 18 1HH1 ARG 18 14.565 6.727 -3.220
153 HH12 ARG 18 2HH1 ARG 18 15.099 8.361 -3.434
154 HH21 ARG 18 1HH2 ARG 18 12.643 9.739 -1.362
155 HH22 ARG 18 2HH2 ARG 18 14.006 10.074 -2.376
156 H TYR 19 H TYR 19 11.937 1.268 -3.504
157 HA TYR 19 HA TYR 19 9.892 -0.480 -2.772
158 HB2 TYR 19 2HB TYR 19 10.440 -0.218 -5.088
159 HB3 TYR 19 3HB TYR 19 12.093 -0.760 -4.821
160 HD1 TYR 19 HD1 TYR 19 8.559 -1.921 -4.656
161 HD2 TYR 19 HD2 TYR 19 12.648 -3.010 -5.100
162 HE1 TYR 19 HE1 TYR 19 7.882 -4.225 -5.187
163 HE2 TYR 19 HE2 TYR 19 11.982 -5.317 -5.633
164 HH TYR 19 HH TYR 19 10.292 -6.712 -5.978
165 H ARG 20 H ARG 20 13.402 -0.835 -2.527
166 HA ARG 20 HA ARG 20 13.380 -3.519 -1.628
167 HB2 ARG 20 2HB ARG 20 15.410 -1.303 -1.468
168 HB3 ARG 20 3HB ARG 20 15.707 -2.877 -0.744
169 HG2 ARG 20 2HG ARG 20 15.887 -3.932 -2.767
170 HG3 ARG 20 3HG ARG 20 14.864 -2.754 -3.593
171 HD2 ARG 20 2HD ARG 20 16.949 -2.221 -4.418
172 HD3 ARG 20 3HD ARG 20 16.807 -1.105 -3.061
173 HE ARG 20 HE ARG 20 18.020 -3.313 -2.009
174 HH11 ARG 20 1HH1 ARG 20 18.692 -1.158 -4.660
175 HH12 ARG 20 2HH1 ARG 20 20.410 -1.349 -4.551
176 HH21 ARG 20 1HH2 ARG 20 20.281 -3.573 -1.855
177 HH22 ARG 20 2HH2 ARG 20 21.313 -2.724 -2.956
178 H HIS 21 H HIS 21 12.881 -0.476 -0.046
179 HA HIS 21 HA HIS 21 13.308 -1.507 2.615
180 HB2 HIS 21 2HB HIS 21 12.445 1.115 1.459
181 HB3 HIS 21 3HB HIS 21 12.130 0.784 3.160
182 HD1 HIS 21 HD1 HIS 21 14.619 -0.423 4.186
183 HD2 HIS 21 HD2 HIS 21 14.682 2.612 1.350
184 HE1 HIS 21 HE1 HIS 21 16.898 0.624 4.373
185 H TYR 22 H TYR 22 10.483 -0.368 0.767
186 HA TYR 22 HA TYR 22 8.539 -0.972 2.672
187 HB2 TYR 22 2HB TYR 22 8.320 -0.968 -0.345
188 HB3 TYR 22 3HB TYR 22 6.950 -0.996 0.759
189 HD1 TYR 22 HD2 TYR 22 7.647 0.943 2.791
190 HD2 TYR 22 HD1 TYR 22 8.330 1.089 -1.406
191 HE1 TYR 22 HE2 TYR 22 7.669 3.401 2.886
192 HE2 TYR 22 HE1 TYR 22 8.355 3.547 -1.322
193 HH TYR 22 HH TYR 22 7.707 5.351 0.005
194 H ALA 23 H ALA 23 10.264 -3.022 0.463
195 HA ALA 23 HA ALA 23 8.463 -5.251 0.683
196 HB1 ALA 23 1HB ALA 23 9.642 -5.259 -1.314
197 HB2 ALA 23 2HB ALA 23 11.169 -4.848 -0.531
198 HB3 ALA 23 3HB ALA 23 10.494 -6.468 -0.352
199 H ALA 24 H ALA 24 10.912 -3.936 2.632
200 HA ALA 24 HA ALA 24 11.612 -6.448 3.912
201 HB1 ALA 24 1HB ALA 24 13.230 -4.527 3.500
202 HB2 ALA 24 2HB ALA 24 12.424 -3.709 4.839
203 HB3 ALA 24 3HB ALA 24 13.239 -5.250 5.109
204 H PHE 25 H PHE 25 9.501 -3.731 4.412
205 HA PHE 25 HA PHE 25 8.836 -4.683 7.108
206 HB2 PHE 25 2HB PHE 25 7.888 -2.128 5.811
207 HB3 PHE 25 3HB PHE 25 7.860 -2.545 7.522
208 HD1 PHE 25 HD1 PHE 25 10.179 -2.982 8.618
209 HD2 PHE 25 HD2 PHE 25 9.610 -0.842 4.983
210 HE1 PHE 25 HE1 PHE 25 12.367 -1.898 8.918
211 HE2 PHE 25 HE2 PHE 25 11.798 0.244 5.277
212 HZ PHE 25 HZ PHE 25 13.180 -0.284 7.246
213 H GLU 26 H GLU 26 7.197 -3.526 4.160
214 HA GLU 26 HA GLU 26 4.657 -4.551 4.954
215 HB2 GLU 26 2HB GLU 26 5.443 -3.894 2.124
216 HB3 GLU 26 3HB GLU 26 3.854 -3.786 2.869
217 HG2 GLU 26 2HG GLU 26 6.201 -1.958 3.178
218 HG3 GLU 26 3HG GLU 26 4.553 -1.578 2.679
219 H ARG 27 H ARG 27 7.204 -5.665 2.766
220 HA ARG 27 HA ARG 27 5.748 -8.196 2.422
221 HB2 ARG 27 2HB ARG 27 8.109 -7.214 0.817
222 HB3 ARG 27 3HB ARG 27 7.052 -8.568 0.441
223 HG2 ARG 27 2HG ARG 27 5.200 -6.706 0.449
224 HG3 ARG 27 3HG ARG 27 6.579 -5.649 0.141
225 HD2 ARG 27 2HD ARG 27 5.631 -7.984 -1.505
226 HD3 ARG 27 3HD ARG 27 5.693 -6.285 -1.973
227 HE ARG 27 HE ARG 27 8.283 -6.937 -1.402
228 HH11 ARG 27 1HH1 ARG 27 5.837 -8.185 -3.543
229 HH12 ARG 27 2HH1 ARG 27 6.972 -8.732 -4.732
230 HH21 ARG 27 1HH2 ARG 27 9.787 -7.654 -2.960
231 HH22 ARG 27 2HH2 ARG 27 9.219 -8.431 -4.399
232 H ALA 28 H ALA 28 7.174 -7.583 4.835
233 HA ALA 28 HA ALA 28 9.747 -8.557 5.034
234 HB1 ALA 28 1HB ALA 28 9.104 -9.200 7.385
235 HB2 ALA 28 2HB ALA 28 8.766 -7.530 6.930
236 HB3 ALA 28 3HB ALA 28 7.458 -8.711 6.981
237 H THR 29 H THR 29 6.818 -10.468 5.758
238 HA THR 29 HA THR 29 8.240 -12.942 5.684
239 HB THR 29 HB THR 29 6.149 -12.525 7.026
240 HG1 THR 29 HG1 THR 29 6.944 -14.659 6.542
241 HG21 THR 29 3HG2 THR 29 4.983 -11.461 4.988
242 HG22 THR 29 1HG2 THR 29 4.031 -12.512 6.035
243 HG23 THR 29 2HG2 THR 29 4.644 -13.120 4.497
244 H PHE 30 H PHE 30 6.331 -11.110 3.386
245 HA PHE 30 HA PHE 30 7.020 -13.098 1.327
246 HB2 PHE 30 2HB PHE 30 4.900 -13.049 0.385
247 HB3 PHE 30 3HB PHE 30 4.527 -12.956 2.103
248 HD1 PHE 30 HD2 PHE 30 4.571 -10.394 2.991
249 HD2 PHE 30 HD1 PHE 30 3.691 -11.668 -0.974
250 HE1 PHE 30 HE2 PHE 30 3.312 -8.315 2.605
251 HE2 PHE 30 HE1 PHE 30 2.431 -9.591 -1.366
252 HZ PHE 30 HZ PHE 30 2.240 -7.912 0.425
Start of MODEL 10
1 H1 TYR 1 H TYR 1 1.359 -2.973 -1.387
2 HA TYR 1 HA TYR 1 0.417 -0.605 -2.234
3 HB2 TYR 1 2HB TYR 1 2.419 0.439 -1.462
4 HB3 TYR 1 3HB TYR 1 2.180 -0.994 -0.469
5 HD1 TYR 1 HD1 TYR 1 4.220 0.520 -3.122
6 HD2 TYR 1 HD2 TYR 1 3.711 -2.854 -0.581
7 HE1 TYR 1 HE1 TYR 1 6.487 -0.244 -3.693
8 HE2 TYR 1 HE2 TYR 1 5.977 -3.627 -1.143
9 HH TYR 1 HH TYR 1 7.713 -3.351 -2.578
10 H ALA 2 H ALA 2 2.491 -2.708 -4.045
11 HA ALA 2 HA ALA 2 2.794 -0.670 -6.144
12 HB1 ALA 2 1HB ALA 2 4.531 -2.737 -5.121
13 HB2 ALA 2 2HB ALA 2 4.322 -2.878 -6.867
14 HB3 ALA 2 3HB ALA 2 4.905 -1.368 -6.168
15 H GLU 3 H GLU 3 0.737 -0.867 -7.064
16 HA GLU 3 HA GLU 3 0.037 -3.484 -8.191
17 HB2 GLU 3 2HB GLU 3 -1.606 -2.089 -6.792
18 HB3 GLU 3 3HB GLU 3 -1.719 -1.039 -8.197
19 HG2 GLU 3 2HG GLU 3 -3.523 -2.474 -8.430
20 HG3 GLU 3 3HG GLU 3 -2.303 -3.160 -9.501
21 H LYS 4 H LYS 4 -0.226 -0.077 -9.221
22 HA LYS 4 HA LYS 4 0.339 -0.952 -11.970
23 HB2 LYS 4 2HB LYS 4 -1.251 1.287 -10.802
24 HB3 LYS 4 3HB LYS 4 -0.505 1.529 -12.376
25 HG2 LYS 4 2HG LYS 4 -2.519 0.718 -13.037
26 HG3 LYS 4 3HG LYS 4 -1.641 -0.804 -12.875
27 HD2 LYS 4 2HD LYS 4 -3.513 -1.328 -11.680
28 HD3 LYS 4 3HD LYS 4 -2.537 -0.628 -10.386
29 HE2 LYS 4 2HE LYS 4 -4.290 1.167 -11.990
30 HE3 LYS 4 3HE LYS 4 -5.034 0.119 -10.783
31 HZ1 LYS 4 3HZ LYS 4 -4.571 1.859 -9.452
32 HZ2 LYS 4 1HZ LYS 4 -3.308 2.431 -10.423
33 HZ3 LYS 4 2HZ LYS 4 -3.042 1.139 -9.364
34 H VAL 5 H VAL 5 1.398 1.154 -9.397
35 HA VAL 5 HA VAL 5 3.148 2.813 -10.814
36 HB VAL 5 HB VAL 5 2.529 3.234 -8.480
37 HG11 VAL 5 1HG1 VAL 5 3.202 0.568 -8.095
38 HG12 VAL 5 2HG1 VAL 5 4.456 1.468 -7.239
39 HG13 VAL 5 3HG1 VAL 5 2.756 1.734 -6.850
40 HG21 VAL 5 3HG2 VAL 5 4.916 3.758 -9.656
41 HG22 VAL 5 1HG2 VAL 5 4.423 4.378 -8.080
42 HG23 VAL 5 2HG2 VAL 5 5.438 2.939 -8.183
43 H ALA 6 H ALA 6 3.439 -0.501 -9.828
44 HA ALA 6 HA ALA 6 6.218 -0.811 -9.865
45 HB1 ALA 6 1HB ALA 6 5.558 -3.227 -10.600
46 HB2 ALA 6 2HB ALA 6 5.118 -2.637 -8.997
47 HB3 ALA 6 3HB ALA 6 3.916 -2.663 -10.287
48 H GLN 7 H GLN 7 4.010 -1.869 -12.461
49 HA GLN 7 HA GLN 7 6.021 -2.137 -14.397
50 HB2 GLN 7 2HB GLN 7 4.214 -2.302 -16.018
51 HB3 GLN 7 3HB GLN 7 3.813 -3.212 -14.567
52 HG2 GLN 7 2HG GLN 7 1.834 -2.149 -14.993
53 HG3 GLN 7 3HG GLN 7 2.591 -1.024 -13.867
54 HE21 GLN 7 1HE2 GLN 7 0.851 0.288 -15.026
55 HE22 GLN 7 2HE2 GLN 7 1.374 1.179 -16.411
56 H GLU 8 H GLU 8 4.171 0.614 -13.342
57 HA GLU 8 HA GLU 8 4.451 2.313 -15.529
58 HB2 GLU 8 2HB GLU 8 4.128 2.738 -12.589
59 HB3 GLU 8 3HB GLU 8 4.507 4.120 -13.607
60 HG2 GLU 8 2HG GLU 8 2.206 2.284 -14.181
61 HG3 GLU 8 3HG GLU 8 2.063 3.687 -13.124
62 H LYS 9 H LYS 9 5.923 4.035 -15.944
63 HA LYS 9 HA LYS 9 8.013 4.854 -16.323
64 HB2 LYS 9 2HB LYS 9 7.557 5.330 -13.793
65 HB3 LYS 9 3HB LYS 9 8.779 4.093 -13.526
66 HG2 LYS 9 2HG LYS 9 10.062 5.983 -13.498
67 HG3 LYS 9 3HG LYS 9 10.176 5.536 -15.202
68 HD2 LYS 9 2HD LYS 9 9.715 7.825 -15.252
69 HD3 LYS 9 3HD LYS 9 8.143 7.073 -15.531
70 HE2 LYS 9 2HE LYS 9 7.996 7.234 -12.899
71 HE3 LYS 9 3HE LYS 9 9.165 8.530 -13.145
72 HZ1 LYS 9 3HZ LYS 9 7.309 9.091 -15.002
73 HZ2 LYS 9 1HZ LYS 9 7.351 9.776 -13.456
74 HZ3 LYS 9 2HZ LYS 9 6.348 8.451 -13.766
75 H GLY 10 H GLY 10 7.537 2.020 -16.834
76 HA2 GLY 10 2HA GLY 10 8.853 0.342 -17.735
77 HA3 GLY 10 3HA GLY 10 10.277 1.241 -17.232
78 H PHE 11 H PHE 11 10.648 -1.279 -16.908
79 HA PHE 11 HA PHE 11 9.641 -2.278 -14.394
80 HB2 PHE 11 2HB PHE 11 10.008 -3.869 -16.176
81 HB3 PHE 11 3HB PHE 11 11.690 -3.372 -16.329
82 HD1 PHE 11 HD1 PHE 11 13.347 -4.068 -14.704
83 HD2 PHE 11 HD2 PHE 11 9.287 -5.303 -14.380
84 HE1 PHE 11 HE1 PHE 11 14.007 -5.802 -13.087
85 HE2 PHE 11 HE2 PHE 11 9.940 -7.038 -12.762
86 HZ PHE 11 HZ PHE 11 12.302 -7.289 -12.113
87 H LEU 12 H LEU 12 12.592 -0.831 -15.619
88 HA LEU 12 HA LEU 12 14.346 -1.407 -13.547
89 HB2 LEU 12 2HB LEU 12 14.188 1.181 -15.081
90 HB3 LEU 12 3HB LEU 12 15.596 0.544 -14.235
91 HG LEU 12 HG LEU 12 14.346 -0.913 -16.546
92 HD11 LEU 12 1HD1 LEU 12 15.851 0.164 -18.049
93 HD12 LEU 12 2HD1 LEU 12 16.613 1.060 -16.735
94 HD13 LEU 12 3HD1 LEU 12 14.950 1.420 -17.200
95 HD21 LEU 12 3HD2 LEU 12 16.852 -1.093 -14.953
96 HD22 LEU 12 1HD2 LEU 12 16.907 -1.531 -16.661
97 HD23 LEU 12 2HD2 LEU 12 15.808 -2.374 -15.569
98 H TYR 13 H TYR 13 11.669 0.796 -13.650
99 HA TYR 13 HA TYR 13 12.282 2.598 -11.652
100 HB2 TYR 13 2HB TYR 13 10.272 2.878 -12.924
101 HB3 TYR 13 3HB TYR 13 9.639 1.329 -12.379
102 HD1 TYR 13 HD1 TYR 13 10.328 4.808 -11.392
103 HD2 TYR 13 HD2 TYR 13 8.555 1.113 -10.249
104 HE1 TYR 13 HE1 TYR 13 9.182 5.940 -9.533
105 HE2 TYR 13 HE2 TYR 13 7.403 2.235 -8.388
106 HH TYR 13 HH TYR 13 8.121 4.728 -7.016
107 H ARG 14 H ARG 14 10.891 -0.650 -11.329
108 HA ARG 14 HA ARG 14 10.506 -0.613 -8.554
109 HB2 ARG 14 2HB ARG 14 11.038 -2.892 -10.460
110 HB3 ARG 14 3HB ARG 14 10.649 -3.131 -8.762
111 HG2 ARG 14 2HG ARG 14 8.497 -2.078 -9.067
112 HG3 ARG 14 3HG ARG 14 8.889 -1.710 -10.748
113 HD2 ARG 14 2HD ARG 14 7.517 -3.640 -10.783
114 HD3 ARG 14 3HD ARG 14 9.161 -4.187 -11.108
115 HE ARG 14 HE ARG 14 8.470 -4.320 -8.332
116 HH11 ARG 14 1HH1 ARG 14 8.245 -5.965 -11.392
117 HH12 ARG 14 2HH1 ARG 14 8.082 -7.538 -10.683
118 HH21 ARG 14 1HH2 ARG 14 8.256 -6.385 -7.386
119 HH22 ARG 14 2HH2 ARG 14 8.087 -7.775 -8.404
120 H LEU 15 H LEU 15 13.357 -1.165 -10.489
121 HA LEU 15 HA LEU 15 14.932 -2.250 -8.352
122 HB2 LEU 15 2HB LEU 15 15.905 -1.003 -10.914
123 HB3 LEU 15 3HB LEU 15 16.778 -2.124 -9.871
124 HG LEU 15 HG LEU 15 14.377 -2.761 -11.583
125 HD11 LEU 15 1HD1 LEU 15 15.911 -4.133 -12.848
126 HD12 LEU 15 2HD1 LEU 15 17.238 -3.691 -11.774
127 HD13 LEU 15 3HD1 LEU 15 16.495 -2.469 -12.805
128 HD21 LEU 15 3HD2 LEU 15 14.311 -4.025 -9.505
129 HD22 LEU 15 1HD2 LEU 15 15.983 -4.533 -9.744
130 HD23 LEU 15 2HD2 LEU 15 14.729 -5.076 -10.859
131 H THR 16 H THR 16 14.170 -0.383 -6.923
132 HA THR 16 HA THR 16 16.182 1.763 -7.068
133 HB THR 16 HB THR 16 14.463 3.243 -5.933
134 HG1 THR 16 HG1 THR 16 12.523 2.461 -5.608
135 HG21 THR 16 3HG2 THR 16 13.097 3.377 -8.221
136 HG22 THR 16 1HG2 THR 16 14.421 2.346 -8.761
137 HG23 THR 16 2HG2 THR 16 14.763 3.938 -8.083
138 H SER 17 H SER 17 16.012 2.995 -4.774
139 HA SER 17 HA SER 17 16.807 0.985 -2.850
140 HB2 SER 17 2HB SER 17 17.891 3.340 -3.345
141 HB3 SER 17 3HB SER 17 16.690 3.899 -2.181
142 HG SER 17 HG SER 17 17.954 3.173 -0.685
143 H ARG 18 H ARG 18 14.111 3.095 -3.436
144 HA ARG 18 HA ARG 18 12.997 2.890 -0.802
145 HB2 ARG 18 2HB ARG 18 11.505 3.640 -3.312
146 HB3 ARG 18 3HB ARG 18 11.143 4.107 -1.656
147 HG2 ARG 18 2HG ARG 18 13.488 5.020 -3.308
148 HG3 ARG 18 3HG ARG 18 12.077 5.976 -2.849
149 HD2 ARG 18 2HD ARG 18 12.704 5.675 -0.472
150 HD3 ARG 18 3HD ARG 18 14.159 4.828 -0.994
151 HE ARG 18 HE ARG 18 14.070 7.332 -2.252
152 HH11 ARG 18 1HH1 ARG 18 14.502 5.944 0.911
153 HH12 ARG 18 2HH1 ARG 18 15.490 7.244 1.490
154 HH21 ARG 18 1HH2 ARG 18 15.370 9.050 -1.502
155 HH22 ARG 18 2HH2 ARG 18 15.983 9.011 0.116
156 H TYR 19 H TYR 19 12.488 1.273 -3.899
157 HA TYR 19 HA TYR 19 10.197 -0.167 -3.359
158 HB2 TYR 19 2HB TYR 19 11.135 -0.216 -5.562
159 HB3 TYR 19 3HB TYR 19 12.633 -0.930 -4.974
160 HD1 TYR 19 HD2 TYR 19 8.971 -1.703 -4.853
161 HD2 TYR 19 HD1 TYR 19 12.925 -3.163 -5.440
162 HE1 TYR 19 HE2 TYR 19 8.070 -3.947 -5.301
163 HE2 TYR 19 HE1 TYR 19 12.034 -5.411 -5.891
164 HH TYR 19 HH TYR 19 9.731 -6.660 -5.153
165 H ARG 20 H ARG 20 13.546 -0.957 -2.522
166 HA ARG 20 HA ARG 20 12.971 -3.494 -1.394
167 HB2 ARG 20 2HB ARG 20 15.301 -1.724 -0.662
168 HB3 ARG 20 3HB ARG 20 15.216 -3.479 -0.590
169 HG2 ARG 20 2HG ARG 20 14.914 -3.405 -3.117
170 HG3 ARG 20 3HG ARG 20 15.424 -1.719 -3.008
171 HD2 ARG 20 2HD ARG 20 16.977 -4.180 -2.240
172 HD3 ARG 20 3HD ARG 20 17.360 -3.007 -3.499
173 HE ARG 20 HE ARG 20 17.307 -1.582 -1.147
174 HH11 ARG 20 1HH1 ARG 20 19.081 -4.296 -2.414
175 HH12 ARG 20 2HH1 ARG 20 20.510 -3.959 -1.493
176 HH21 ARG 20 1HH2 ARG 20 19.181 -1.128 0.071
177 HH22 ARG 20 2HH2 ARG 20 20.565 -2.157 -0.079
178 H HIS 21 H HIS 21 13.097 -0.230 -0.096
179 HA HIS 21 HA HIS 21 12.957 -0.952 2.642
180 HB2 HIS 21 2HB HIS 21 13.490 1.353 1.407
181 HB3 HIS 21 3HB HIS 21 11.780 1.626 1.727
182 HD1 HIS 21 HD1 HIS 21 11.135 1.183 4.393
183 HD2 HIS 21 HD2 HIS 21 15.079 2.095 3.461
184 HE1 HIS 21 HE1 HIS 21 12.169 1.971 6.546
185 H TYR 22 H TYR 22 10.586 -0.616 0.127
186 HA TYR 22 HA TYR 22 8.342 -0.547 1.947
187 HB2 TYR 22 2HB TYR 22 8.432 -0.895 -1.057
188 HB3 TYR 22 3HB TYR 22 6.972 -0.648 -0.104
189 HD1 TYR 22 HD1 TYR 22 7.694 1.473 1.733
190 HD2 TYR 22 HD2 TYR 22 8.739 0.991 -2.364
191 HE1 TYR 22 HE1 TYR 22 7.966 3.909 1.522
192 HE2 TYR 22 HE2 TYR 22 9.014 3.425 -2.586
193 HH TYR 22 HH TYR 22 8.419 5.446 -1.556
194 H ALA 23 H ALA 23 9.965 -2.900 -0.110
195 HA ALA 23 HA ALA 23 8.044 -4.980 0.410
196 HB1 ALA 23 1HB ALA 23 10.741 -4.992 -0.927
197 HB2 ALA 23 2HB ALA 23 9.731 -6.427 -0.752
198 HB3 ALA 23 3HB ALA 23 9.153 -5.052 -1.693
199 H ALA 24 H ALA 24 10.953 -3.816 1.875
200 HA ALA 24 HA ALA 24 11.514 -6.223 3.350
201 HB1 ALA 24 1HB ALA 24 13.273 -4.983 4.395
202 HB2 ALA 24 2HB ALA 24 13.262 -4.579 2.678
203 HB3 ALA 24 3HB ALA 24 12.584 -3.452 3.853
204 H PHE 25 H PHE 25 9.517 -3.446 3.767
205 HA PHE 25 HA PHE 25 9.128 -4.070 6.611
206 HB2 PHE 25 2HB PHE 25 8.566 -1.608 4.970
207 HB3 PHE 25 3HB PHE 25 7.849 -1.840 6.561
208 HD1 PHE 25 HD2 PHE 25 11.218 -2.152 4.979
209 HD2 PHE 25 HD1 PHE 25 8.917 -0.805 8.296
210 HE1 PHE 25 HE2 PHE 25 13.256 -1.251 6.022
211 HE2 PHE 25 HE1 PHE 25 10.951 0.099 9.345
212 HZ PHE 25 HZ PHE 25 13.124 -0.125 8.209
213 H GLU 26 H GLU 26 7.236 -3.219 3.713
214 HA GLU 26 HA GLU 26 4.762 -4.063 4.857
215 HB2 GLU 26 2HB GLU 26 5.370 -3.701 1.923
216 HB3 GLU 26 3HB GLU 26 3.799 -3.616 2.708
217 HG2 GLU 26 2HG GLU 26 6.071 -1.682 3.099
218 HG3 GLU 26 3HG GLU 26 4.629 -1.406 2.124
219 H ARG 27 H ARG 27 7.083 -5.513 2.619
220 HA ARG 27 HA ARG 27 5.539 -8.014 2.688
221 HB2 ARG 27 2HB ARG 27 7.520 -6.874 0.743
222 HB3 ARG 27 3HB ARG 27 7.229 -8.608 0.796
223 HG2 ARG 27 2HG ARG 27 5.142 -8.428 -0.080
224 HG3 ARG 27 3HG ARG 27 4.864 -6.833 0.623
225 HD2 ARG 27 2HD ARG 27 5.437 -5.865 -1.291
226 HD3 ARG 27 3HD ARG 27 7.013 -6.652 -1.239
227 HE ARG 27 HE ARG 27 4.788 -7.370 -2.879
228 HH11 ARG 27 1HH1 ARG 27 7.581 -8.622 -1.220
229 HH12 ARG 27 2HH1 ARG 27 7.761 -9.984 -2.277
230 HH21 ARG 27 1HH2 ARG 27 5.014 -9.158 -4.277
231 HH22 ARG 27 2HH2 ARG 27 6.300 -10.287 -4.016
232 H ALA 28 H ALA 28 7.283 -7.035 4.847
233 HA ALA 28 HA ALA 28 9.778 -8.199 4.965
234 HB1 ALA 28 1HB ALA 28 9.516 -8.211 7.397
235 HB2 ALA 28 2HB ALA 28 8.920 -6.709 6.691
236 HB3 ALA 28 3HB ALA 28 7.782 -7.951 7.212
237 H THR 29 H THR 29 6.928 -9.661 6.531
238 HA THR 29 HA THR 29 8.099 -12.214 6.765
239 HB THR 29 HB THR 29 6.145 -11.341 8.111
240 HG1 THR 29 HG1 THR 29 5.053 -13.542 7.897
241 HG21 THR 29 3HG2 THR 29 3.935 -11.503 7.255
242 HG22 THR 29 1HG2 THR 29 4.489 -12.302 5.784
243 HG23 THR 29 2HG2 THR 29 4.863 -10.600 6.058
244 H PHE 30 H PHE 30 6.187 -10.710 4.251
245 HA PHE 30 HA PHE 30 6.621 -13.087 2.580
246 HB2 PHE 30 2HB PHE 30 4.427 -13.230 1.881
247 HB3 PHE 30 3HB PHE 30 4.198 -12.723 3.551
248 HD1 PHE 30 HD1 PHE 30 4.519 -9.945 3.652
249 HD2 PHE 30 HD2 PHE 30 2.903 -12.270 0.475
250 HE1 PHE 30 HE1 PHE 30 3.232 -7.994 2.884
251 HE2 PHE 30 HE2 PHE 30 1.614 -10.323 -0.300
252 HZ PHE 30 HZ PHE 30 1.778 -8.181 0.905
Start of MODEL 11
1 H1 TYR 1 H TYR 1 0.035 -8.603 -3.572
2 HA TYR 1 HA TYR 1 2.061 -6.699 -4.162
3 HB2 TYR 1 2HB TYR 1 2.455 -8.772 -2.853
4 HB3 TYR 1 3HB TYR 1 2.207 -9.717 -4.317
5 HD1 TYR 1 HD1 TYR 1 4.082 -6.529 -3.894
6 HD2 TYR 1 HD2 TYR 1 4.287 -10.698 -4.717
7 HE1 TYR 1 HE1 TYR 1 6.468 -6.297 -4.442
8 HE2 TYR 1 HE2 TYR 1 6.675 -10.478 -5.266
9 HH TYR 1 HH TYR 1 8.568 -8.257 -4.386
10 H ALA 2 H ALA 2 0.675 -5.988 -6.128
11 HA ALA 2 HA ALA 2 1.411 -7.550 -8.508
12 HB1 ALA 2 1HB ALA 2 -0.512 -5.258 -8.551
13 HB2 ALA 2 2HB ALA 2 -0.413 -6.655 -9.623
14 HB3 ALA 2 3HB ALA 2 -1.022 -6.847 -7.979
15 H GLU 3 H GLU 3 1.367 -5.727 -10.476
16 HA GLU 3 HA GLU 3 3.730 -4.114 -9.877
17 HB2 GLU 3 2HB GLU 3 2.508 -5.202 -12.381
18 HB3 GLU 3 3HB GLU 3 3.571 -3.806 -12.483
19 HG2 GLU 3 2HG GLU 3 5.348 -5.083 -11.390
20 HG3 GLU 3 3HG GLU 3 4.282 -6.485 -11.310
21 H LYS 4 H LYS 4 0.958 -3.380 -9.077
22 HA LYS 4 HA LYS 4 -0.113 -1.358 -10.665
23 HB2 LYS 4 2HB LYS 4 -0.973 -2.486 -8.456
24 HB3 LYS 4 3HB LYS 4 -0.165 -1.131 -7.679
25 HG2 LYS 4 2HG LYS 4 -2.280 -0.298 -7.913
26 HG3 LYS 4 3HG LYS 4 -1.533 0.285 -9.402
27 HD2 LYS 4 2HD LYS 4 -2.865 -2.380 -9.421
28 HD3 LYS 4 3HD LYS 4 -3.874 -0.931 -9.427
29 HE2 LYS 4 2HE LYS 4 -2.311 -0.169 -11.356
30 HE3 LYS 4 3HE LYS 4 -1.902 -1.880 -11.471
31 HZ1 LYS 4 3HZ LYS 4 -3.654 -1.689 -12.927
32 HZ2 LYS 4 1HZ LYS 4 -4.478 -0.552 -11.983
33 HZ3 LYS 4 2HZ LYS 4 -4.454 -2.179 -11.519
34 H VAL 5 H VAL 5 2.308 -1.156 -8.076
35 HA VAL 5 HA VAL 5 2.681 1.683 -8.510
36 HB VAL 5 HB VAL 5 2.850 0.872 -6.237
37 HG11 VAL 5 1HG1 VAL 5 5.269 -0.497 -6.099
38 HG12 VAL 5 2HG1 VAL 5 3.653 -1.174 -5.889
39 HG13 VAL 5 3HG1 VAL 5 4.426 -1.208 -7.475
40 HG21 VAL 5 3HG2 VAL 5 4.481 2.661 -7.308
41 HG22 VAL 5 1HG2 VAL 5 4.632 2.161 -5.623
42 HG23 VAL 5 2HG2 VAL 5 5.697 1.470 -6.847
43 H ALA 6 H ALA 6 4.071 -1.281 -9.585
44 HA ALA 6 HA ALA 6 6.498 0.037 -10.540
45 HB1 ALA 6 1HB ALA 6 7.322 -2.158 -11.052
46 HB2 ALA 6 2HB ALA 6 6.641 -2.178 -9.425
47 HB3 ALA 6 3HB ALA 6 5.732 -2.868 -10.769
48 H GLN 7 H GLN 7 3.754 0.513 -11.647
49 HA GLN 7 HA GLN 7 3.973 -0.584 -14.339
50 HB2 GLN 7 2HB GLN 7 1.767 -0.640 -13.395
51 HB3 GLN 7 3HB GLN 7 1.843 1.066 -12.978
52 HG2 GLN 7 2HG GLN 7 0.442 0.785 -14.898
53 HG3 GLN 7 3HG GLN 7 1.920 1.617 -15.379
54 HE21 GLN 7 1HE2 GLN 7 1.814 1.025 -17.510
55 HE22 GLN 7 2HE2 GLN 7 2.042 -0.598 -18.053
56 H GLU 8 H GLU 8 4.528 2.355 -12.596
57 HA GLU 8 HA GLU 8 4.679 3.974 -15.002
58 HB2 GLU 8 2HB GLU 8 5.289 4.659 -12.121
59 HB3 GLU 8 3HB GLU 8 5.266 5.806 -13.453
60 HG2 GLU 8 2HG GLU 8 2.886 5.310 -13.812
61 HG3 GLU 8 3HG GLU 8 2.923 4.219 -12.428
62 H LYS 9 H LYS 9 6.527 4.766 -15.925
63 HA LYS 9 HA LYS 9 8.705 4.796 -16.580
64 HB2 LYS 9 2HB LYS 9 8.930 4.708 -13.594
65 HB3 LYS 9 3HB LYS 9 10.383 4.602 -14.579
66 HG2 LYS 9 2HG LYS 9 8.420 6.810 -15.024
67 HG3 LYS 9 3HG LYS 9 9.598 6.905 -13.712
68 HD2 LYS 9 2HD LYS 9 10.514 6.213 -16.470
69 HD3 LYS 9 3HD LYS 9 10.161 7.895 -16.067
70 HE2 LYS 9 2HE LYS 9 11.674 7.426 -13.999
71 HE3 LYS 9 3HE LYS 9 12.269 6.080 -14.970
72 HZ1 LYS 9 3HZ LYS 9 12.594 8.955 -15.382
73 HZ2 LYS 9 1HZ LYS 9 12.467 7.980 -16.759
74 HZ3 LYS 9 2HZ LYS 9 13.696 7.696 -15.632
75 H GLY 10 H GLY 10 7.221 2.209 -16.300
76 HA2 GLY 10 2HA GLY 10 7.711 0.030 -16.872
77 HA3 GLY 10 3HA GLY 10 9.401 0.496 -16.998
78 H PHE 11 H PHE 11 9.572 -1.740 -16.049
79 HA PHE 11 HA PHE 11 8.900 -2.044 -13.270
80 HB2 PHE 11 2HB PHE 11 8.868 -4.027 -14.607
81 HB3 PHE 11 3HB PHE 11 10.503 -3.734 -15.191
82 HD1 PHE 11 HD1 PHE 11 12.428 -4.198 -13.793
83 HD2 PHE 11 HD2 PHE 11 8.471 -4.958 -12.422
84 HE1 PHE 11 HE1 PHE 11 13.329 -5.582 -11.969
85 HE2 PHE 11 HE2 PHE 11 9.366 -6.343 -10.596
86 HZ PHE 11 HZ PHE 11 11.798 -6.656 -10.367
87 H LEU 12 H LEU 12 11.672 -1.038 -15.114
88 HA LEU 12 HA LEU 12 13.751 -1.430 -13.345
89 HB2 LEU 12 2HB LEU 12 13.349 1.029 -15.038
90 HB3 LEU 12 3HB LEU 12 14.879 0.400 -14.432
91 HG LEU 12 HG LEU 12 13.261 -1.350 -16.211
92 HD11 LEU 12 1HD1 LEU 12 14.982 0.118 -17.876
93 HD12 LEU 12 2HD1 LEU 12 14.050 1.299 -16.956
94 HD13 LEU 12 3HD1 LEU 12 13.219 0.071 -17.910
95 HD21 LEU 12 3HD2 LEU 12 16.127 -0.911 -15.508
96 HD22 LEU 12 1HD2 LEU 12 15.719 -1.655 -17.054
97 HD23 LEU 12 2HD2 LEU 12 15.192 -2.406 -15.548
98 H TYR 13 H TYR 13 11.355 1.165 -13.390
99 HA TYR 13 HA TYR 13 12.415 2.873 -11.500
100 HB2 TYR 13 2HB TYR 13 10.458 3.556 -12.658
101 HB3 TYR 13 3HB TYR 13 9.554 2.146 -12.118
102 HD1 TYR 13 HD1 TYR 13 8.659 2.036 -9.846
103 HD2 TYR 13 HD2 TYR 13 10.744 5.480 -11.224
104 HE1 TYR 13 HE1 TYR 13 7.779 3.323 -7.943
105 HE2 TYR 13 HE2 TYR 13 9.871 6.775 -9.324
106 HH TYR 13 HH TYR 13 7.763 6.588 -7.783
107 H ARG 14 H ARG 14 10.302 0.065 -10.944
108 HA ARG 14 HA ARG 14 10.041 0.227 -8.201
109 HB2 ARG 14 2HB ARG 14 9.145 -1.503 -10.022
110 HB3 ARG 14 3HB ARG 14 10.468 -2.471 -9.384
111 HG2 ARG 14 2HG ARG 14 9.472 -1.990 -7.081
112 HG3 ARG 14 3HG ARG 14 8.039 -1.452 -7.959
113 HD2 ARG 14 2HD ARG 14 8.460 -3.802 -9.183
114 HD3 ARG 14 3HD ARG 14 9.147 -4.169 -7.601
115 HE ARG 14 HE ARG 14 6.535 -2.957 -7.509
116 HH11 ARG 14 1HH1 ARG 14 8.329 -5.934 -7.711
117 HH12 ARG 14 2HH1 ARG 14 7.042 -6.905 -7.077
118 HH21 ARG 14 1HH2 ARG 14 4.833 -4.225 -6.673
119 HH22 ARG 14 2HH2 ARG 14 5.053 -5.932 -6.488
120 H LEU 15 H LEU 15 12.781 -0.799 -10.096
121 HA LEU 15 HA LEU 15 14.190 -1.997 -7.900
122 HB2 LEU 15 2HB LEU 15 15.255 -1.066 -10.561
123 HB3 LEU 15 3HB LEU 15 16.058 -2.156 -9.432
124 HG LEU 15 HG LEU 15 13.445 -2.827 -10.770
125 HD11 LEU 15 1HD1 LEU 15 15.248 -2.393 -12.435
126 HD12 LEU 15 2HD1 LEU 15 14.653 -4.053 -12.427
127 HD13 LEU 15 3HD1 LEU 15 16.196 -3.666 -11.666
128 HD21 LEU 15 3HD2 LEU 15 15.531 -4.669 -9.635
129 HD22 LEU 15 1HD2 LEU 15 13.857 -5.030 -10.056
130 HD23 LEU 15 2HD2 LEU 15 14.215 -4.014 -8.660
131 H THR 16 H THR 16 13.601 0.156 -6.692
132 HA THR 16 HA THR 16 15.940 1.937 -6.913
133 HB THR 16 HB THR 16 14.388 3.674 -5.813
134 HG1 THR 16 HG1 THR 16 12.132 3.207 -6.646
135 HG21 THR 16 3HG2 THR 16 13.215 3.929 -8.221
136 HG22 THR 16 1HG2 THR 16 14.498 2.792 -8.632
137 HG23 THR 16 2HG2 THR 16 14.899 4.353 -7.916
138 H SER 17 H SER 17 16.697 2.873 -4.924
139 HA SER 17 HA SER 17 17.062 1.082 -2.856
140 HB2 SER 17 2HB SER 17 18.208 3.399 -3.424
141 HB3 SER 17 3HB SER 17 17.070 4.003 -2.219
142 HG SER 17 HG SER 17 19.254 3.210 -1.513
143 H ARG 18 H ARG 18 14.744 3.772 -3.028
144 HA ARG 18 HA ARG 18 13.613 3.537 -0.511
145 HB2 ARG 18 2HB ARG 18 12.566 4.486 -3.153
146 HB3 ARG 18 3HB ARG 18 11.479 4.376 -1.774
147 HG2 ARG 18 2HG ARG 18 12.272 6.603 -1.864
148 HG3 ARG 18 3HG ARG 18 13.089 5.821 -0.509
149 HD2 ARG 18 2HD ARG 18 15.096 5.565 -1.769
150 HD3 ARG 18 3HD ARG 18 14.292 6.062 -3.258
151 HE ARG 18 HE ARG 18 14.040 8.169 -1.482
152 HH11 ARG 18 1HH1 ARG 18 16.612 6.425 -3.052
153 HH12 ARG 18 2HH1 ARG 18 17.688 7.783 -3.084
154 HH21 ARG 18 1HH2 ARG 18 15.448 9.963 -1.518
155 HH22 ARG 18 2HH2 ARG 18 17.025 9.794 -2.211
156 H TYR 19 H TYR 19 12.525 1.993 -3.532
157 HA TYR 19 HA TYR 19 10.377 0.569 -2.543
158 HB2 TYR 19 2HB TYR 19 10.767 0.634 -4.905
159 HB3 TYR 19 3HB TYR 19 12.337 -0.141 -4.729
160 HD1 TYR 19 HD1 TYR 19 8.690 -0.722 -4.326
161 HD2 TYR 19 HD2 TYR 19 12.533 -2.477 -4.825
162 HE1 TYR 19 HE1 TYR 19 7.636 -2.918 -4.669
163 HE2 TYR 19 HE2 TYR 19 11.490 -4.677 -5.171
164 HH TYR 19 HH TYR 19 9.392 -5.824 -4.630
165 H ARG 20 H ARG 20 13.795 -0.374 -2.616
166 HA ARG 20 HA ARG 20 13.600 -2.965 -1.686
167 HB2 ARG 20 2HB ARG 20 15.746 -0.996 -0.881
168 HB3 ARG 20 3HB ARG 20 15.885 -2.749 -0.937
169 HG2 ARG 20 2HG ARG 20 15.068 -1.795 -3.500
170 HG3 ARG 20 3HG ARG 20 16.484 -0.890 -2.960
171 HD2 ARG 20 2HD ARG 20 16.212 -3.884 -3.175
172 HD3 ARG 20 3HD ARG 20 17.205 -2.834 -4.185
173 HE ARG 20 HE ARG 20 17.825 -3.799 -1.542
174 HH11 ARG 20 1HH1 ARG 20 18.470 -1.369 -3.949
175 HH12 ARG 20 2HH1 ARG 20 20.040 -0.983 -3.328
176 HH21 ARG 20 1HH2 ARG 20 19.891 -3.301 -0.714
177 HH22 ARG 20 2HH2 ARG 20 20.848 -2.083 -1.488
178 H HIS 21 H HIS 21 13.352 0.046 0.085
179 HA HIS 21 HA HIS 21 13.325 -1.297 2.657
180 HB2 HIS 21 2HB HIS 21 13.206 1.560 1.758
181 HB3 HIS 21 3HB HIS 21 12.709 1.139 3.395
182 HD1 HIS 21 HD1 HIS 21 14.685 -0.452 4.639
183 HD2 HIS 21 HD2 HIS 21 15.819 2.201 1.649
184 HE1 HIS 21 HE1 HIS 21 17.149 -0.077 4.972
185 H TYR 22 H TYR 22 11.058 0.460 0.574
186 HA TYR 22 HA TYR 22 8.829 0.378 2.252
187 HB2 TYR 22 2HB TYR 22 9.113 0.487 -0.744
188 HB3 TYR 22 3HB TYR 22 7.533 0.479 0.032
189 HD1 TYR 22 HD1 TYR 22 7.905 2.193 2.348
190 HD2 TYR 22 HD2 TYR 22 9.441 2.617 -1.597
191 HE1 TYR 22 HE1 TYR 22 8.047 4.627 2.672
192 HE2 TYR 22 HE2 TYR 22 9.589 5.052 -1.283
193 HH TYR 22 HH TYR 22 8.107 6.762 0.560
194 H ALA 23 H ALA 23 10.177 -2.035 0.101
195 HA ALA 23 HA ALA 23 7.913 -3.821 0.466
196 HB1 ALA 23 1HB ALA 23 9.071 -3.643 -1.719
197 HB2 ALA 23 2HB ALA 23 10.510 -4.341 -0.974
198 HB3 ALA 23 3HB ALA 23 9.025 -5.287 -1.081
199 H ALA 24 H ALA 24 10.390 -2.966 2.372
200 HA ALA 24 HA ALA 24 11.135 -5.634 3.276
201 HB1 ALA 24 1HB ALA 24 12.469 -3.207 3.207
202 HB2 ALA 24 2HB ALA 24 12.108 -3.454 4.916
203 HB3 ALA 24 3HB ALA 24 13.004 -4.680 4.018
204 H PHE 25 H PHE 25 8.708 -3.408 3.881
205 HA PHE 25 HA PHE 25 8.072 -4.731 6.421
206 HB2 PHE 25 2HB PHE 25 7.663 -1.771 6.000
207 HB3 PHE 25 3HB PHE 25 7.481 -2.682 7.495
208 HD1 PHE 25 HD1 PHE 25 9.423 -3.392 8.766
209 HD2 PHE 25 HD2 PHE 25 9.831 -1.111 5.195
210 HE1 PHE 25 HE1 PHE 25 11.756 -2.883 9.361
211 HE2 PHE 25 HE2 PHE 25 12.165 -0.599 5.784
212 HZ PHE 25 HZ PHE 25 13.130 -1.486 7.869
213 H GLU 26 H GLU 26 6.935 -2.766 3.712
214 HA GLU 26 HA GLU 26 4.160 -3.328 4.280
215 HB2 GLU 26 2HB GLU 26 5.330 -2.098 1.783
216 HB3 GLU 26 3HB GLU 26 3.666 -1.995 2.340
217 HG2 GLU 26 2HG GLU 26 6.098 -0.659 3.466
218 HG3 GLU 26 3HG GLU 26 4.619 0.076 2.852
219 H ARG 27 H ARG 27 6.704 -4.775 2.494
220 HA ARG 27 HA ARG 27 4.876 -6.846 1.560
221 HB2 ARG 27 2HB ARG 27 6.513 -5.075 -0.204
222 HB3 ARG 27 3HB ARG 27 6.299 -6.759 -0.661
223 HG2 ARG 27 2HG ARG 27 4.033 -6.519 -1.007
224 HG3 ARG 27 3HG ARG 27 3.919 -5.103 0.041
225 HD2 ARG 27 2HD ARG 27 5.099 -3.763 -1.604
226 HD3 ARG 27 3HD ARG 27 5.306 -5.177 -2.636
227 HE ARG 27 HE ARG 27 3.180 -4.865 -3.402
228 HH11 ARG 27 1HH1 ARG 27 3.547 -3.153 -0.393
229 HH12 ARG 27 2HH1 ARG 27 1.989 -2.399 -0.482
230 HH21 ARG 27 1HH2 ARG 27 1.127 -3.878 -3.530
231 HH22 ARG 27 2HH2 ARG 27 0.614 -2.813 -2.266
232 H ALA 28 H ALA 28 7.072 -6.513 3.562
233 HA ALA 28 HA ALA 28 9.437 -7.745 2.819
234 HB1 ALA 28 1HB ALA 28 8.647 -8.624 5.441
235 HB2 ALA 28 2HB ALA 28 9.906 -7.480 4.973
236 HB3 ALA 28 3HB ALA 28 8.251 -6.921 5.211
237 H THR 29 H THR 29 6.852 -9.430 4.605
238 HA THR 29 HA THR 29 7.716 -11.938 3.358
239 HB THR 29 HB THR 29 7.488 -11.724 5.885
240 HG1 THR 29 HG1 THR 29 7.571 -13.791 5.275
241 HG21 THR 29 3HG2 THR 29 5.386 -11.698 6.899
242 HG22 THR 29 1HG2 THR 29 4.553 -12.128 5.406
243 HG23 THR 29 2HG2 THR 29 5.225 -10.510 5.606
244 H PHE 30 H PHE 30 5.014 -9.748 3.577
245 HA PHE 30 HA PHE 30 3.415 -11.558 1.894
246 HB2 PHE 30 2HB PHE 30 1.535 -9.892 2.609
247 HB3 PHE 30 3HB PHE 30 2.076 -11.126 3.742
248 HD1 PHE 30 HD1 PHE 30 3.322 -7.744 2.767
249 HD2 PHE 30 HD2 PHE 30 2.095 -10.355 5.896
250 HE1 PHE 30 HE1 PHE 30 3.829 -5.994 4.421
251 HE2 PHE 30 HE2 PHE 30 2.598 -8.610 7.555
252 HZ PHE 30 HZ PHE 30 3.466 -6.426 6.819
Start of MODEL 12
1 H1 TYR 1 H TYR 1 0.718 -2.549 -2.616
2 HA TYR 1 HA TYR 1 1.119 -0.105 -4.078
3 HB2 TYR 1 2HB TYR 1 1.599 -0.111 -1.714
4 HB3 TYR 1 3HB TYR 1 2.726 -1.449 -1.898
5 HD1 TYR 1 HD1 TYR 1 2.217 2.147 -2.406
6 HD2 TYR 1 HD2 TYR 1 4.960 -1.087 -2.757
7 HE1 TYR 1 HE1 TYR 1 4.057 3.750 -2.713
8 HE2 TYR 1 HE2 TYR 1 6.808 0.507 -3.064
9 HH TYR 1 HH TYR 1 6.341 3.750 -3.763
10 H ALA 2 H ALA 2 2.912 0.441 -5.351
11 HA ALA 2 HA ALA 2 4.373 0.088 -7.066
12 HB1 ALA 2 1HB ALA 2 5.374 -2.005 -5.140
13 HB2 ALA 2 2HB ALA 2 6.252 -1.434 -6.559
14 HB3 ALA 2 3HB ALA 2 5.894 -0.322 -5.238
15 H GLU 3 H GLU 3 1.837 -1.382 -7.134
16 HA GLU 3 HA GLU 3 2.638 -3.772 -8.651
17 HB2 GLU 3 2HB GLU 3 0.421 -4.637 -8.275
18 HB3 GLU 3 3HB GLU 3 1.097 -4.129 -6.734
19 HG2 GLU 3 2HG GLU 3 -0.182 -2.027 -6.904
20 HG3 GLU 3 3HG GLU 3 -0.914 -2.626 -8.391
21 H LYS 4 H LYS 4 1.053 -0.698 -8.843
22 HA LYS 4 HA LYS 4 0.391 -1.224 -11.667
23 HB2 LYS 4 2HB LYS 4 -1.364 0.417 -11.509
24 HB3 LYS 4 3HB LYS 4 -1.563 -0.740 -10.200
25 HG2 LYS 4 2HG LYS 4 -0.247 0.969 -8.788
26 HG3 LYS 4 3HG LYS 4 -0.652 2.105 -10.078
27 HD2 LYS 4 2HD LYS 4 -2.819 0.432 -8.896
28 HD3 LYS 4 3HD LYS 4 -2.217 1.817 -7.982
29 HE2 LYS 4 2HE LYS 4 -2.961 3.339 -9.547
30 HE3 LYS 4 3HE LYS 4 -2.940 2.161 -10.858
31 HZ1 LYS 4 3HZ LYS 4 -5.058 2.836 -9.054
32 HZ2 LYS 4 1HZ LYS 4 -4.779 1.168 -9.116
33 HZ3 LYS 4 2HZ LYS 4 -5.122 2.022 -10.535
34 H VAL 5 H VAL 5 2.064 0.813 -9.417
35 HA VAL 5 HA VAL 5 2.617 2.906 -11.322
36 HB VAL 5 HB VAL 5 3.898 2.388 -8.635
37 HG11 VAL 5 1HG1 VAL 5 4.264 4.944 -8.871
38 HG12 VAL 5 2HG1 VAL 5 5.347 3.838 -9.718
39 HG13 VAL 5 3HG1 VAL 5 4.046 4.644 -10.595
40 HG21 VAL 5 3HG2 VAL 5 1.452 3.925 -9.445
41 HG22 VAL 5 1HG2 VAL 5 1.637 2.731 -8.161
42 HG23 VAL 5 2HG2 VAL 5 2.352 4.333 -7.984
43 H ALA 6 H ALA 6 4.528 0.361 -9.725
44 HA ALA 6 HA ALA 6 6.930 0.888 -11.107
45 HB1 ALA 6 1HB ALA 6 6.536 -0.505 -8.977
46 HB2 ALA 6 2HB ALA 6 6.203 -1.834 -10.089
47 HB3 ALA 6 3HB ALA 6 7.776 -1.037 -10.113
48 H GLN 7 H GLN 7 4.405 -1.562 -11.664
49 HA GLN 7 HA GLN 7 5.505 -2.832 -13.857
50 HB2 GLN 7 2HB GLN 7 3.333 -3.648 -14.349
51 HB3 GLN 7 3HB GLN 7 3.401 -3.459 -12.602
52 HG2 GLN 7 2HG GLN 7 2.172 -1.374 -12.756
53 HG3 GLN 7 3HG GLN 7 2.145 -1.504 -14.514
54 HE21 GLN 7 1HE2 GLN 7 -0.195 -1.293 -14.094
55 HE22 GLN 7 2HE2 GLN 7 -1.098 -2.733 -13.785
56 H GLU 8 H GLU 8 3.961 0.283 -13.656
57 HA GLU 8 HA GLU 8 3.567 0.605 -16.471
58 HB2 GLU 8 2HB GLU 8 2.488 1.850 -14.390
59 HB3 GLU 8 3HB GLU 8 3.824 2.960 -14.659
60 HG2 GLU 8 2HG GLU 8 3.007 2.957 -17.115
61 HG3 GLU 8 3HG GLU 8 1.508 2.328 -16.432
62 H LYS 9 H LYS 9 5.801 2.207 -14.194
63 HA LYS 9 HA LYS 9 7.364 3.538 -16.039
64 HB2 LYS 9 2HB LYS 9 8.309 2.278 -13.457
65 HB3 LYS 9 3HB LYS 9 9.117 3.573 -14.330
66 HG2 LYS 9 2HG LYS 9 6.309 3.886 -13.336
67 HG3 LYS 9 3HG LYS 9 7.699 4.184 -12.290
68 HD2 LYS 9 2HD LYS 9 7.444 5.487 -14.984
69 HD3 LYS 9 3HD LYS 9 6.695 6.182 -13.545
70 HE2 LYS 9 2HE LYS 9 8.775 6.512 -12.495
71 HE3 LYS 9 3HE LYS 9 9.607 5.449 -13.629
72 HZ1 LYS 9 3HZ LYS 9 9.064 7.105 -15.387
73 HZ2 LYS 9 1HZ LYS 9 10.128 7.677 -14.202
74 HZ3 LYS 9 2HZ LYS 9 8.503 8.147 -14.177
75 H GLY 10 H GLY 10 8.501 0.582 -14.400
76 HA2 GLY 10 2HA GLY 10 8.985 -1.044 -16.546
77 HA3 GLY 10 3HA GLY 10 10.369 0.038 -16.509
78 H PHE 11 H PHE 11 11.600 -1.942 -16.164
79 HA PHE 11 HA PHE 11 11.275 -3.332 -13.658
80 HB2 PHE 11 2HB PHE 11 12.029 -4.576 -15.607
81 HB3 PHE 11 3HB PHE 11 13.422 -3.514 -15.780
82 HD1 PHE 11 HD1 PHE 11 11.840 -5.734 -13.234
83 HD2 PHE 11 HD2 PHE 11 15.435 -4.234 -14.949
84 HE1 PHE 11 HE1 PHE 11 13.151 -7.228 -11.784
85 HE2 PHE 11 HE2 PHE 11 16.752 -5.726 -13.502
86 HZ PHE 11 HZ PHE 11 15.611 -7.226 -11.918
87 H LEU 12 H LEU 12 13.820 -1.296 -15.097
88 HA LEU 12 HA LEU 12 15.542 -1.175 -12.941
89 HB2 LEU 12 2HB LEU 12 14.951 1.170 -14.727
90 HB3 LEU 12 3HB LEU 12 16.464 0.785 -13.910
91 HG LEU 12 HG LEU 12 15.260 -0.650 -16.273
92 HD11 LEU 12 1HD1 LEU 12 16.283 1.273 -17.085
93 HD12 LEU 12 2HD1 LEU 12 17.548 0.052 -17.218
94 HD13 LEU 12 3HD1 LEU 12 17.577 1.210 -15.888
95 HD21 LEU 12 3HD2 LEU 12 17.227 -1.506 -14.286
96 HD22 LEU 12 1HD2 LEU 12 17.791 -1.627 -15.953
97 HD23 LEU 12 2HD2 LEU 12 16.312 -2.451 -15.462
98 H TYR 13 H TYR 13 12.670 0.779 -13.593
99 HA TYR 13 HA TYR 13 12.899 2.690 -11.615
100 HB2 TYR 13 2HB TYR 13 11.125 2.850 -13.215
101 HB3 TYR 13 3HB TYR 13 10.445 1.308 -12.705
102 HD1 TYR 13 HD1 TYR 13 10.847 4.854 -11.826
103 HD2 TYR 13 HD2 TYR 13 9.057 1.149 -10.743
104 HE1 TYR 13 HE1 TYR 13 9.380 6.033 -10.243
105 HE2 TYR 13 HE2 TYR 13 7.583 2.318 -9.158
106 HH TYR 13 HH TYR 13 7.741 5.847 -8.763
107 H ARG 14 H ARG 14 11.254 -0.463 -11.347
108 HA ARG 14 HA ARG 14 10.514 -0.334 -8.692
109 HB2 ARG 14 2HB ARG 14 10.219 -2.191 -10.584
110 HB3 ARG 14 3HB ARG 14 11.546 -2.936 -9.703
111 HG2 ARG 14 2HG ARG 14 10.227 -2.885 -7.653
112 HG3 ARG 14 3HG ARG 14 8.897 -2.120 -8.526
113 HD2 ARG 14 2HD ARG 14 9.970 -4.660 -9.618
114 HD3 ARG 14 3HD ARG 14 9.031 -4.751 -8.128
115 HE ARG 14 HE ARG 14 7.778 -3.227 -10.227
116 HH11 ARG 14 1HH1 ARG 14 8.207 -6.380 -8.816
117 HH12 ARG 14 2HH1 ARG 14 6.733 -7.016 -9.468
118 HH21 ARG 14 1HH2 ARG 14 5.835 -4.052 -11.092
119 HH22 ARG 14 2HH2 ARG 14 5.386 -5.691 -10.763
120 H LEU 15 H LEU 15 13.656 -0.972 -10.079
121 HA LEU 15 HA LEU 15 14.857 -1.943 -7.677
122 HB2 LEU 15 2HB LEU 15 16.258 -0.695 -10.030
123 HB3 LEU 15 3HB LEU 15 16.930 -1.817 -8.849
124 HG LEU 15 HG LEU 15 14.786 -2.527 -10.848
125 HD11 LEU 15 1HD1 LEU 15 16.443 -3.535 -12.186
126 HD12 LEU 15 2HD1 LEU 15 17.683 -3.317 -10.951
127 HD13 LEU 15 3HD1 LEU 15 17.044 -1.919 -11.815
128 HD21 LEU 15 3HD2 LEU 15 15.395 -4.837 -10.220
129 HD22 LEU 15 1HD2 LEU 15 14.714 -3.918 -8.878
130 HD23 LEU 15 2HD2 LEU 15 16.454 -4.191 -8.966
131 H THR 16 H THR 16 14.047 -0.253 -6.237
132 HA THR 16 HA THR 16 15.955 1.960 -6.085
133 HB THR 16 HB THR 16 14.114 3.527 -5.434
134 HG1 THR 16 HG1 THR 16 12.069 2.890 -5.540
135 HG21 THR 16 3HG2 THR 16 14.316 2.373 -8.192
136 HG22 THR 16 1HG2 THR 16 14.914 3.915 -7.583
137 HG23 THR 16 2HG2 THR 16 13.187 3.684 -7.853
138 H SER 17 H SER 17 15.659 3.148 -3.920
139 HA SER 17 HA SER 17 15.925 1.227 -1.842
140 HB2 SER 17 2HB SER 17 16.947 3.654 -2.126
141 HB3 SER 17 3HB SER 17 15.507 4.122 -1.222
142 HG SER 17 HG SER 17 17.539 2.311 -0.430
143 H ARG 18 H ARG 18 13.464 3.687 -2.565
144 HA ARG 18 HA ARG 18 11.803 3.313 -0.385
145 HB2 ARG 18 2HB ARG 18 11.416 4.274 -3.171
146 HB3 ARG 18 3HB ARG 18 9.971 3.866 -2.256
147 HG2 ARG 18 2HG ARG 18 10.346 6.183 -1.968
148 HG3 ARG 18 3HG ARG 18 10.795 5.399 -0.452
149 HD2 ARG 18 2HD ARG 18 12.424 7.105 -1.100
150 HD3 ARG 18 3HD ARG 18 13.144 5.496 -1.078
151 HE ARG 18 HE ARG 18 12.182 6.296 -3.665
152 HH11 ARG 18 1HH1 ARG 18 14.861 6.412 -1.445
153 HH12 ARG 18 2HH1 ARG 18 16.046 6.663 -2.683
154 HH21 ARG 18 1HH2 ARG 18 13.733 6.626 -5.305
155 HH22 ARG 18 2HH2 ARG 18 15.403 6.785 -4.879
156 H TYR 19 H TYR 19 11.632 1.679 -3.546
157 HA TYR 19 HA TYR 19 9.462 0.033 -3.043
158 HB2 TYR 19 2HB TYR 19 10.328 0.169 -5.265
159 HB3 TYR 19 3HB TYR 19 11.909 -0.411 -4.755
160 HD1 TYR 19 HD1 TYR 19 8.340 -1.531 -4.716
161 HD2 TYR 19 HD2 TYR 19 12.427 -2.613 -5.197
162 HE1 TYR 19 HE1 TYR 19 7.661 -3.833 -5.253
163 HE2 TYR 19 HE2 TYR 19 11.759 -4.918 -5.737
164 HH TYR 19 HH TYR 19 9.976 -6.412 -5.538
165 H ARG 20 H ARG 20 12.878 -0.989 -2.863
166 HA ARG 20 HA ARG 20 12.479 -3.440 -1.659
167 HB2 ARG 20 2HB ARG 20 14.787 -1.514 -1.359
168 HB3 ARG 20 3HB ARG 20 14.817 -3.173 -0.777
169 HG2 ARG 20 2HG ARG 20 14.421 -3.945 -3.096
170 HG3 ARG 20 3HG ARG 20 14.541 -2.268 -3.634
171 HD2 ARG 20 2HD ARG 20 16.788 -2.194 -3.345
172 HD3 ARG 20 3HD ARG 20 16.752 -3.278 -1.955
173 HE ARG 20 HE ARG 20 16.095 -4.791 -4.187
174 HH11 ARG 20 1HH1 ARG 20 18.810 -2.964 -2.999
175 HH12 ARG 20 2HH1 ARG 20 19.989 -3.945 -3.807
176 HH21 ARG 20 1HH2 ARG 20 17.637 -6.089 -5.255
177 HH22 ARG 20 2HH2 ARG 20 19.320 -5.721 -5.090
178 H HIS 21 H HIS 21 12.434 -0.256 -0.239
179 HA HIS 21 HA HIS 21 12.647 -1.091 2.476
180 HB2 HIS 21 2HB HIS 21 12.001 1.428 1.047
181 HB3 HIS 21 3HB HIS 21 11.404 1.285 2.698
182 HD1 HIS 21 HD1 HIS 21 14.661 -0.307 1.866
183 HD2 HIS 21 HD2 HIS 21 13.269 3.235 3.533
184 HE1 HIS 21 HE1 HIS 21 16.671 0.775 2.920
185 H TYR 22 H TYR 22 9.858 0.083 0.583
186 HA TYR 22 HA TYR 22 7.919 -0.486 2.524
187 HB2 TYR 22 2HB TYR 22 7.595 -0.394 -0.483
188 HB3 TYR 22 3HB TYR 22 6.290 -0.294 0.694
189 HD1 TYR 22 HD2 TYR 22 7.148 1.576 2.664
190 HD2 TYR 22 HD1 TYR 22 7.878 1.640 -1.527
191 HE1 TYR 22 HE2 TYR 22 7.412 4.020 2.753
192 HE2 TYR 22 HE1 TYR 22 8.146 4.084 -1.449
193 HH TYR 22 HH TYR 22 7.388 5.973 0.035
194 H ALA 23 H ALA 23 9.520 -2.511 0.206
195 HA ALA 23 HA ALA 23 7.641 -4.705 0.649
196 HB1 ALA 23 1HB ALA 23 10.000 -4.437 -1.208
197 HB2 ALA 23 2HB ALA 23 9.000 -5.884 -1.067
198 HB3 ALA 23 3HB ALA 23 8.290 -4.373 -1.636
199 H ALA 24 H ALA 24 10.055 -3.485 2.367
200 HA ALA 24 HA ALA 24 11.445 -5.987 2.944
201 HB1 ALA 24 1HB ALA 24 13.151 -4.592 3.216
202 HB2 ALA 24 2HB ALA 24 12.085 -3.187 3.170
203 HB3 ALA 24 3HB ALA 24 12.373 -4.025 4.695
204 H PHE 25 H PHE 25 8.800 -4.189 4.066
205 HA PHE 25 HA PHE 25 8.735 -5.794 6.529
206 HB2 PHE 25 2HB PHE 25 7.718 -2.957 6.379
207 HB3 PHE 25 3HB PHE 25 7.915 -3.957 7.814
208 HD1 PHE 25 HD2 PHE 25 9.657 -1.961 5.278
209 HD2 PHE 25 HD1 PHE 25 10.046 -4.207 8.873
210 HE1 PHE 25 HE2 PHE 25 11.907 -1.025 5.615
211 HE2 PHE 25 HE1 PHE 25 12.297 -3.273 9.216
212 HZ PHE 25 HZ PHE 25 13.231 -1.682 7.586
213 H GLU 26 H GLU 26 6.919 -4.002 4.092
214 HA GLU 26 HA GLU 26 4.404 -5.163 4.949
215 HB2 GLU 26 2HB GLU 26 4.864 -3.542 2.452
216 HB3 GLU 26 3HB GLU 26 3.365 -3.761 3.343
217 HG2 GLU 26 2HG GLU 26 5.746 -2.098 4.074
218 HG3 GLU 26 3HG GLU 26 4.073 -1.592 3.847
219 H ARG 27 H ARG 27 6.873 -5.738 2.592
220 HA ARG 27 HA ARG 27 5.346 -8.045 1.607
221 HB2 ARG 27 2HB ARG 27 7.084 -6.407 -0.225
222 HB3 ARG 27 3HB ARG 27 5.889 -7.625 -0.651
223 HG2 ARG 27 2HG ARG 27 4.391 -5.763 0.691
224 HG3 ARG 27 3HG ARG 27 5.567 -4.773 -0.175
225 HD2 ARG 27 2HD ARG 27 3.681 -6.815 -1.340
226 HD3 ARG 27 3HD ARG 27 3.640 -5.067 -1.572
227 HE ARG 27 HE ARG 27 6.111 -5.883 -2.468
228 HH11 ARG 27 1HH1 ARG 27 2.787 -6.565 -3.246
229 HH12 ARG 27 2HH1 ARG 27 3.110 -6.899 -4.915
230 HH21 ARG 27 1HH2 ARG 27 6.549 -6.320 -4.664
231 HH22 ARG 27 2HH2 ARG 27 5.250 -6.760 -5.720
232 H ALA 28 H ALA 28 7.642 -7.518 3.520
233 HA ALA 28 HA ALA 28 10.084 -8.347 2.544
234 HB1 ALA 28 1HB ALA 28 9.562 -9.554 5.115
235 HB2 ALA 28 2HB ALA 28 10.668 -8.248 4.687
236 HB3 ALA 28 3HB ALA 28 8.981 -7.890 5.056
237 H THR 29 H THR 29 7.863 -10.537 4.275
238 HA THR 29 HA THR 29 8.961 -12.762 2.704
239 HB THR 29 HB THR 29 9.005 -12.823 5.253
240 HG1 THR 29 HG1 THR 29 9.119 -14.693 3.779
241 HG21 THR 29 3HG2 THR 29 6.581 -11.967 5.359
242 HG22 THR 29 1HG2 THR 29 7.049 -13.259 6.464
243 HG23 THR 29 2HG2 THR 29 6.123 -13.634 5.010
244 H PHE 30 H PHE 30 6.029 -11.033 3.437
245 HA PHE 30 HA PHE 30 4.514 -12.892 1.728
246 HB2 PHE 30 2HB PHE 30 2.515 -11.620 2.844
247 HB3 PHE 30 3HB PHE 30 3.349 -12.891 3.732
248 HD1 PHE 30 HD2 PHE 30 4.074 -9.282 3.118
249 HD2 PHE 30 HD1 PHE 30 3.450 -12.386 5.963
250 HE1 PHE 30 HE2 PHE 30 4.536 -7.698 4.943
251 HE2 PHE 30 HE1 PHE 30 3.910 -10.806 7.792
252 HZ PHE 30 HZ PHE 30 4.456 -8.459 7.284
Start of MODEL 13
1 H1 TYR 1 H TYR 1 3.786 -5.960 -5.312
2 HA TYR 1 HA TYR 1 2.639 -4.853 -2.877
3 HB2 TYR 1 2HB TYR 1 5.061 -4.506 -3.637
4 HB3 TYR 1 3HB TYR 1 4.407 -3.398 -4.838
5 HD1 TYR 1 HD1 TYR 1 2.800 -1.541 -3.863
6 HD2 TYR 1 HD2 TYR 1 5.706 -3.656 -1.586
7 HE1 TYR 1 HE1 TYR 1 2.809 0.272 -2.201
8 HE2 TYR 1 HE2 TYR 1 5.722 -1.850 0.083
9 HH TYR 1 HH TYR 1 3.478 0.862 -0.123
10 H ALA 2 H ALA 2 2.697 -4.098 -6.354
11 HA ALA 2 HA ALA 2 -0.018 -3.323 -6.422
12 HB1 ALA 2 1HB ALA 2 0.061 -0.988 -6.546
13 HB2 ALA 2 2HB ALA 2 1.089 -1.389 -5.169
14 HB3 ALA 2 3HB ALA 2 1.816 -0.967 -6.719
15 H GLU 3 H GLU 3 -0.677 -2.528 -8.544
16 HA GLU 3 HA GLU 3 1.319 -3.083 -10.638
17 HB2 GLU 3 2HB GLU 3 -0.510 -4.062 -11.996
18 HB3 GLU 3 3HB GLU 3 -0.185 -4.971 -10.527
19 HG2 GLU 3 2HG GLU 3 -2.445 -4.932 -10.434
20 HG3 GLU 3 3HG GLU 3 -2.108 -3.430 -9.576
21 H LYS 4 H LYS 4 0.447 -0.544 -9.453
22 HA LYS 4 HA LYS 4 -0.821 0.696 -11.806
23 HB2 LYS 4 2HB LYS 4 -2.045 0.878 -9.617
24 HB3 LYS 4 3HB LYS 4 -0.692 1.819 -9.004
25 HG2 LYS 4 2HG LYS 4 -2.238 3.424 -9.647
26 HG3 LYS 4 3HG LYS 4 -1.113 3.364 -11.006
27 HD2 LYS 4 2HD LYS 4 -2.623 2.124 -12.330
28 HD3 LYS 4 3HD LYS 4 -3.647 1.745 -10.943
29 HE2 LYS 4 2HE LYS 4 -4.475 3.944 -10.823
30 HE3 LYS 4 3HE LYS 4 -3.202 4.568 -11.872
31 HZ1 LYS 4 3HZ LYS 4 -5.482 2.839 -12.656
32 HZ2 LYS 4 1HZ LYS 4 -4.185 3.202 -13.680
33 HZ3 LYS 4 2HZ LYS 4 -5.199 4.439 -13.128
34 H VAL 5 H VAL 5 1.880 0.792 -9.592
35 HA VAL 5 HA VAL 5 3.130 2.853 -11.289
36 HB VAL 5 HB VAL 5 4.392 3.630 -9.331
37 HG11 VAL 5 1HG1 VAL 5 1.403 3.634 -8.925
38 HG12 VAL 5 2HG1 VAL 5 2.543 4.752 -8.174
39 HG13 VAL 5 3HG1 VAL 5 2.320 4.760 -9.924
40 HG21 VAL 5 3HG2 VAL 5 4.559 2.379 -7.504
41 HG22 VAL 5 1HG2 VAL 5 2.829 2.567 -7.217
42 HG23 VAL 5 2HG2 VAL 5 3.421 1.216 -8.184
43 H ALA 6 H ALA 6 3.202 -0.123 -11.392
44 HA ALA 6 HA ALA 6 6.033 -0.617 -10.785
45 HB1 ALA 6 1HB ALA 6 5.144 -3.031 -11.539
46 HB2 ALA 6 2HB ALA 6 5.027 -2.430 -9.884
47 HB3 ALA 6 3HB ALA 6 3.633 -2.328 -10.961
48 H GLN 7 H GLN 7 3.651 -1.098 -13.389
49 HA GLN 7 HA GLN 7 5.537 -1.897 -15.336
50 HB2 GLN 7 2HB GLN 7 3.223 -2.437 -15.659
51 HB3 GLN 7 3HB GLN 7 2.759 -0.743 -15.582
52 HG2 GLN 7 2HG GLN 7 2.732 -1.649 -17.867
53 HG3 GLN 7 3HG GLN 7 3.842 -0.293 -17.675
54 HE21 GLN 7 1HE2 GLN 7 5.265 -0.744 -19.259
55 HE22 GLN 7 2HE2 GLN 7 6.240 -2.169 -19.320
56 H GLU 8 H GLU 8 4.519 1.203 -14.164
57 HA GLU 8 HA GLU 8 5.382 2.752 -16.384
58 HB2 GLU 8 2HB GLU 8 4.863 3.433 -13.493
59 HB3 GLU 8 3HB GLU 8 5.374 4.635 -14.670
60 HG2 GLU 8 2HG GLU 8 3.380 4.075 -16.031
61 HG3 GLU 8 3HG GLU 8 2.852 2.998 -14.740
62 H LYS 9 H LYS 9 7.254 4.024 -16.606
63 HA LYS 9 HA LYS 9 9.495 4.409 -16.578
64 HB2 LYS 9 2HB LYS 9 9.170 3.704 -13.656
65 HB3 LYS 9 3HB LYS 9 10.604 4.442 -14.357
66 HG2 LYS 9 2HG LYS 9 7.934 5.749 -14.659
67 HG3 LYS 9 3HG LYS 9 8.862 5.931 -13.169
68 HD2 LYS 9 2HD LYS 9 10.807 6.614 -14.700
69 HD3 LYS 9 3HD LYS 9 9.577 6.808 -15.950
70 HE2 LYS 9 2HE LYS 9 8.607 8.604 -14.908
71 HE3 LYS 9 3HE LYS 9 9.124 8.090 -13.303
72 HZ1 LYS 9 3HZ LYS 9 11.464 8.615 -14.186
73 HZ2 LYS 9 1HZ LYS 9 10.464 9.902 -13.734
74 HZ3 LYS 9 2HZ LYS 9 10.663 9.519 -15.369
75 H GLY 10 H GLY 10 8.453 1.687 -17.102
76 HA2 GLY 10 2HA GLY 10 9.418 -0.311 -17.721
77 HA3 GLY 10 3HA GLY 10 10.972 0.351 -17.237
78 H PHE 11 H PHE 11 11.097 -2.032 -16.592
79 HA PHE 11 HA PHE 11 9.726 -2.727 -14.146
80 HB2 PHE 11 2HB PHE 11 10.124 -4.514 -15.697
81 HB3 PHE 11 3HB PHE 11 11.842 -4.136 -15.778
82 HD1 PHE 11 HD1 PHE 11 9.182 -5.613 -13.731
83 HD2 PHE 11 HD2 PHE 11 13.359 -4.877 -14.083
84 HE1 PHE 11 HE1 PHE 11 9.615 -7.219 -11.918
85 HE2 PHE 11 HE2 PHE 11 13.799 -6.482 -12.272
86 HZ PHE 11 HZ PHE 11 11.925 -7.657 -11.187
87 H LEU 12 H LEU 12 12.889 -1.586 -15.120
88 HA LEU 12 HA LEU 12 14.359 -2.127 -12.824
89 HB2 LEU 12 2HB LEU 12 14.503 0.081 -14.849
90 HB3 LEU 12 3HB LEU 12 15.623 0.008 -13.490
91 HG LEU 12 HG LEU 12 16.193 -2.347 -14.341
92 HD11 LEU 12 1HD1 LEU 12 15.902 -2.258 -16.959
93 HD12 LEU 12 2HD1 LEU 12 14.485 -1.297 -16.536
94 HD13 LEU 12 3HD1 LEU 12 14.652 -2.940 -15.917
95 HD21 LEU 12 3HD2 LEU 12 17.671 -0.378 -14.489
96 HD22 LEU 12 1HD2 LEU 12 16.937 0.032 -16.039
97 HD23 LEU 12 2HD2 LEU 12 17.850 -1.467 -15.866
98 H TYR 13 H TYR 13 11.884 0.232 -13.389
99 HA TYR 13 HA TYR 13 12.422 2.145 -11.468
100 HB2 TYR 13 2HB TYR 13 10.597 2.454 -12.999
101 HB3 TYR 13 3HB TYR 13 9.773 1.023 -12.391
102 HD1 TYR 13 HD2 TYR 13 10.650 4.520 -11.666
103 HD2 TYR 13 HD1 TYR 13 8.473 1.102 -10.371
104 HE1 TYR 13 HE2 TYR 13 9.423 5.919 -10.057
105 HE2 TYR 13 HE1 TYR 13 7.239 2.491 -8.759
106 HH TYR 13 HH TYR 13 7.027 5.704 -8.886
107 H ARG 14 H ARG 14 10.676 -0.925 -11.081
108 HA ARG 14 HA ARG 14 10.013 -0.644 -8.381
109 HB2 ARG 14 2HB ARG 14 10.575 -3.134 -9.998
110 HB3 ARG 14 3HB ARG 14 9.888 -3.145 -8.380
111 HG2 ARG 14 2HG ARG 14 8.015 -1.735 -9.266
112 HG3 ARG 14 3HG ARG 14 8.668 -2.012 -10.882
113 HD2 ARG 14 2HD ARG 14 7.055 -3.669 -10.683
114 HD3 ARG 14 3HD ARG 14 8.543 -4.513 -10.254
115 HE ARG 14 HE ARG 14 7.616 -3.672 -7.863
116 HH11 ARG 14 1HH1 ARG 14 6.154 -5.414 -10.499
117 HH12 ARG 14 2HH1 ARG 14 5.065 -6.299 -9.483
118 HH21 ARG 14 1HH2 ARG 14 6.187 -4.831 -6.514
119 HH22 ARG 14 2HH2 ARG 14 5.084 -5.965 -7.216
120 H LEU 15 H LEU 15 13.019 -1.435 -9.913
121 HA LEU 15 HA LEU 15 14.238 -2.514 -7.533
122 HB2 LEU 15 2HB LEU 15 15.660 -1.568 -10.005
123 HB3 LEU 15 3HB LEU 15 16.205 -2.756 -8.822
124 HG LEU 15 HG LEU 15 13.894 -3.165 -10.717
125 HD11 LEU 15 1HD1 LEU 15 16.724 -4.191 -10.880
126 HD12 LEU 15 2HD1 LEU 15 15.999 -2.978 -11.935
127 HD13 LEU 15 3HD1 LEU 15 15.396 -4.635 -11.952
128 HD21 LEU 15 3HD2 LEU 15 13.918 -5.430 -9.995
129 HD22 LEU 15 1HD2 LEU 15 13.884 -4.425 -8.546
130 HD23 LEU 15 2HD2 LEU 15 15.392 -5.183 -9.057
131 H THR 16 H THR 16 13.443 -0.418 -6.420
132 HA THR 16 HA THR 16 15.658 1.525 -6.490
133 HB THR 16 HB THR 16 13.786 3.118 -5.533
134 HG1 THR 16 HG1 THR 16 11.825 2.529 -6.900
135 HG21 THR 16 3HG2 THR 16 13.153 3.483 -8.110
136 HG22 THR 16 1HG2 THR 16 14.559 2.439 -8.312
137 HG23 THR 16 2HG2 THR 16 14.709 3.961 -7.433
138 H SER 17 H SER 17 15.995 2.682 -4.441
139 HA SER 17 HA SER 17 16.340 0.968 -2.287
140 HB2 SER 17 2HB SER 17 17.301 3.374 -2.800
141 HB3 SER 17 3HB SER 17 15.962 3.892 -1.776
142 HG SER 17 HG SER 17 17.861 3.515 -0.564
143 H ARG 18 H ARG 18 13.796 3.402 -2.792
144 HA ARG 18 HA ARG 18 12.409 3.108 -0.423
145 HB2 ARG 18 2HB ARG 18 11.654 3.918 -3.188
146 HB3 ARG 18 3HB ARG 18 10.355 3.586 -2.050
147 HG2 ARG 18 2HG ARG 18 10.670 5.854 -1.801
148 HG3 ARG 18 3HG ARG 18 11.644 5.194 -0.485
149 HD2 ARG 18 2HD ARG 18 13.657 5.459 -1.769
150 HD3 ARG 18 3HD ARG 18 12.735 5.936 -3.194
151 HE ARG 18 HE ARG 18 13.491 7.602 -0.995
152 HH11 ARG 18 1HH1 ARG 18 11.103 7.111 -3.480
153 HH12 ARG 18 2HH1 ARG 18 10.625 8.776 -3.531
154 HH21 ARG 18 1HH2 ARG 18 12.871 9.796 -1.054
155 HH22 ARG 18 2HH2 ARG 18 11.632 10.302 -2.152
156 H TYR 19 H TYR 19 11.768 1.388 -3.482
157 HA TYR 19 HA TYR 19 9.745 -0.275 -2.563
158 HB2 TYR 19 2HB TYR 19 10.181 -0.135 -4.914
159 HB3 TYR 19 3HB TYR 19 11.828 -0.719 -4.704
160 HD1 TYR 19 HD2 TYR 19 8.278 -1.685 -4.728
161 HD2 TYR 19 HD1 TYR 19 12.295 -3.066 -4.491
162 HE1 TYR 19 HE2 TYR 19 7.504 -3.986 -5.117
163 HE2 TYR 19 HE1 TYR 19 11.532 -5.371 -4.881
164 HH TYR 19 HH TYR 19 9.595 -6.717 -4.749
165 H ARG 20 H ARG 20 13.252 -0.760 -2.512
166 HA ARG 20 HA ARG 20 13.207 -3.390 -1.494
167 HB2 ARG 20 2HB ARG 20 15.286 -1.213 -1.496
168 HB3 ARG 20 3HB ARG 20 15.581 -2.762 -0.716
169 HG2 ARG 20 2HG ARG 20 15.701 -3.894 -2.690
170 HG3 ARG 20 3HG ARG 20 14.619 -2.777 -3.523
171 HD2 ARG 20 2HD ARG 20 16.720 -2.362 -4.464
172 HD3 ARG 20 3HD ARG 20 16.500 -1.064 -3.292
173 HE ARG 20 HE ARG 20 17.827 -3.090 -1.965
174 HH11 ARG 20 1HH1 ARG 20 18.394 -1.042 -4.722
175 HH12 ARG 20 2HH1 ARG 20 20.116 -1.046 -4.535
176 HH21 ARG 20 1HH2 ARG 20 20.093 -3.104 -1.708
177 HH22 ARG 20 2HH2 ARG 20 21.082 -2.221 -2.821
178 H HIS 21 H HIS 21 13.056 -0.243 0.035
179 HA HIS 21 HA HIS 21 13.559 -1.124 2.687
180 HB2 HIS 21 2HB HIS 21 12.411 1.354 1.459
181 HB3 HIS 21 3HB HIS 21 12.253 1.101 3.195
182 HD1 HIS 21 HD1 HIS 21 14.972 0.017 3.933
183 HD2 HIS 21 HD2 HIS 21 14.435 3.137 1.242
184 HE1 HIS 21 HE1 HIS 21 17.150 1.275 3.918
185 H TYR 22 H TYR 22 10.501 -0.066 1.177
186 HA TYR 22 HA TYR 22 8.820 -0.897 3.236
187 HB2 TYR 22 2HB TYR 22 8.119 -0.846 0.296
188 HB3 TYR 22 3HB TYR 22 7.007 -0.702 1.652
189 HD1 TYR 22 HD1 TYR 22 8.124 1.259 3.387
190 HD2 TYR 22 HD2 TYR 22 8.217 1.143 -0.865
191 HE1 TYR 22 HE1 TYR 22 8.369 3.706 3.331
192 HE2 TYR 22 HE2 TYR 22 8.463 3.589 -0.933
193 HH TYR 22 HH TYR 22 7.741 5.560 0.874
194 H ALA 23 H ALA 23 10.351 -2.709 0.704
195 HA ALA 23 HA ALA 23 8.668 -5.030 0.982
196 HB1 ALA 23 1HB ALA 23 11.180 -4.437 -0.542
197 HB2 ALA 23 2HB ALA 23 10.548 -6.080 -0.423
198 HB3 ALA 23 3HB ALA 23 9.568 -4.810 -1.155
199 H ALA 24 H ALA 24 11.410 -3.761 2.589
200 HA ALA 24 HA ALA 24 12.324 -6.319 3.602
201 HB1 ALA 24 1HB ALA 24 14.121 -5.183 4.536
202 HB2 ALA 24 2HB ALA 24 13.777 -4.254 3.076
203 HB3 ALA 24 3HB ALA 24 13.231 -3.663 4.646
204 H PHE 25 H PHE 25 10.073 -3.893 4.481
205 HA PHE 25 HA PHE 25 9.915 -4.957 7.221
206 HB2 PHE 25 2HB PHE 25 8.822 -2.340 6.170
207 HB3 PHE 25 3HB PHE 25 8.809 -2.879 7.845
208 HD1 PHE 25 HD1 PHE 25 11.098 -3.332 8.935
209 HD2 PHE 25 HD2 PHE 25 10.575 -1.057 5.376
210 HE1 PHE 25 HE1 PHE 25 13.289 -2.271 9.295
211 HE2 PHE 25 HE2 PHE 25 12.765 0.007 5.730
212 HZ PHE 25 HZ PHE 25 14.126 -0.600 7.691
213 H GLU 26 H GLU 26 7.774 -3.605 4.705
214 HA GLU 26 HA GLU 26 5.439 -4.831 5.762
215 HB2 GLU 26 2HB GLU 26 5.748 -3.928 2.909
216 HB3 GLU 26 3HB GLU 26 4.297 -3.941 3.900
217 HG2 GLU 26 2HG GLU 26 6.609 -2.046 3.981
218 HG3 GLU 26 3HG GLU 26 4.893 -1.698 3.781
219 H ARG 27 H ARG 27 7.652 -5.656 3.128
220 HA ARG 27 HA ARG 27 6.244 -8.217 2.801
221 HB2 ARG 27 2HB ARG 27 8.342 -7.152 0.927
222 HB3 ARG 27 3HB ARG 27 7.090 -8.345 0.609
223 HG2 ARG 27 2HG ARG 27 6.715 -5.384 0.991
224 HG3 ARG 27 3HG ARG 27 6.526 -6.302 -0.505
225 HD2 ARG 27 2HD ARG 27 4.663 -7.537 0.496
226 HD3 ARG 27 3HD ARG 27 4.853 -6.614 1.986
227 HE ARG 27 HE ARG 27 4.414 -5.016 -0.378
228 HH11 ARG 27 1HH1 ARG 27 2.949 -6.708 2.289
229 HH12 ARG 27 2HH1 ARG 27 1.485 -5.783 2.241
230 HH21 ARG 27 1HH2 ARG 27 2.491 -3.791 -0.451
231 HH22 ARG 27 2HH2 ARG 27 1.225 -4.125 0.681
232 H ALA 28 H ALA 28 8.152 -7.548 4.953
233 HA ALA 28 HA ALA 28 10.695 -8.562 4.601
234 HB1 ALA 28 1HB ALA 28 9.882 -7.448 6.650
235 HB2 ALA 28 2HB ALA 28 8.987 -8.912 7.062
236 HB3 ALA 28 3HB ALA 28 10.749 -8.948 6.983
237 H THR 29 H THR 29 8.146 -10.452 6.217
238 HA THR 29 HA THR 29 9.406 -12.927 5.861
239 HB THR 29 HB THR 29 7.541 -12.413 7.489
240 HG1 THR 29 HG1 THR 29 7.801 -14.522 7.527
241 HG21 THR 29 3HG2 THR 29 6.038 -11.390 5.762
242 HG22 THR 29 1HG2 THR 29 5.264 -12.609 6.774
243 HG23 THR 29 2HG2 THR 29 5.758 -13.012 5.130
244 H PHE 30 H PHE 30 7.218 -11.127 3.809
245 HA PHE 30 HA PHE 30 7.624 -13.137 1.709
246 HB2 PHE 30 2HB PHE 30 5.387 -13.332 1.181
247 HB3 PHE 30 3HB PHE 30 5.285 -13.139 2.928
248 HD1 PHE 30 HD2 PHE 30 5.471 -10.382 3.467
249 HD2 PHE 30 HD1 PHE 30 3.648 -12.288 0.126
250 HE1 PHE 30 HE2 PHE 30 3.997 -8.436 3.166
251 HE2 PHE 30 HE1 PHE 30 2.172 -10.343 -0.182
252 HZ PHE 30 HZ PHE 30 2.344 -8.415 1.340
Start of MODEL 14
1 H1 TYR 1 H TYR 1 2.377 -5.317 -3.326
2 HA TYR 1 HA TYR 1 0.686 -3.497 -3.645
3 HB2 TYR 1 2HB TYR 1 2.030 -1.713 -2.396
4 HB3 TYR 1 3HB TYR 1 1.875 -3.285 -1.620
5 HD1 TYR 1 HD2 TYR 1 4.168 -0.967 -3.290
6 HD2 TYR 1 HD1 TYR 1 3.795 -4.747 -1.373
7 HE1 TYR 1 HE2 TYR 1 6.617 -1.112 -3.111
8 HE2 TYR 1 HE1 TYR 1 6.242 -4.902 -1.188
9 HH TYR 1 HH TYR 1 8.332 -2.233 -2.190
10 H ALA 2 H ALA 2 2.135 -3.893 -6.197
11 HA ALA 2 HA ALA 2 2.304 -1.064 -7.007
12 HB1 ALA 2 1HB ALA 2 3.993 -3.382 -7.918
13 HB2 ALA 2 2HB ALA 2 3.916 -1.843 -8.777
14 HB3 ALA 2 3HB ALA 2 4.520 -1.899 -7.121
15 H GLU 3 H GLU 3 1.110 -0.456 -8.726
16 HA GLU 3 HA GLU 3 -0.146 -2.551 -10.362
17 HB2 GLU 3 2HB GLU 3 -1.481 -0.294 -8.900
18 HB3 GLU 3 3HB GLU 3 -2.193 -0.951 -10.367
19 HG2 GLU 3 2HG GLU 3 -2.247 -3.173 -9.331
20 HG3 GLU 3 3HG GLU 3 -1.578 -2.485 -7.852
21 H LYS 4 H LYS 4 0.054 1.005 -10.117
22 HA LYS 4 HA LYS 4 0.537 1.087 -13.020
23 HB2 LYS 4 2HB LYS 4 -1.488 2.283 -12.007
24 HB3 LYS 4 3HB LYS 4 -0.333 3.415 -11.316
25 HG2 LYS 4 2HG LYS 4 -0.921 4.497 -13.246
26 HG3 LYS 4 3HG LYS 4 0.511 3.612 -13.778
27 HD2 LYS 4 2HD LYS 4 -0.964 3.122 -15.474
28 HD3 LYS 4 3HD LYS 4 -1.236 1.757 -14.388
29 HE2 LYS 4 2HE LYS 4 -3.164 2.936 -13.420
30 HE3 LYS 4 3HE LYS 4 -2.899 4.270 -14.541
31 HZ1 LYS 4 3HZ LYS 4 -3.967 3.185 -16.137
32 HZ2 LYS 4 1HZ LYS 4 -4.446 2.049 -14.978
33 HZ3 LYS 4 2HZ LYS 4 -3.059 1.777 -15.906
34 H VAL 5 H VAL 5 1.805 1.916 -9.904
35 HA VAL 5 HA VAL 5 3.644 3.890 -10.478
36 HB VAL 5 HB VAL 5 5.000 3.016 -8.618
37 HG11 VAL 5 1HG1 VAL 5 2.279 2.642 -7.558
38 HG12 VAL 5 2HG1 VAL 5 3.544 3.774 -7.073
39 HG13 VAL 5 3HG1 VAL 5 2.540 4.121 -8.482
40 HG21 VAL 5 3HG2 VAL 5 5.024 0.724 -8.700
41 HG22 VAL 5 1HG2 VAL 5 3.830 0.982 -7.428
42 HG23 VAL 5 2HG2 VAL 5 3.304 0.609 -9.070
43 H ALA 6 H ALA 6 3.789 0.466 -11.198
44 HA ALA 6 HA ALA 6 6.533 0.683 -12.162
45 HB1 ALA 6 1HB ALA 6 4.661 -1.634 -11.779
46 HB2 ALA 6 2HB ALA 6 6.191 -1.794 -12.642
47 HB3 ALA 6 3HB ALA 6 6.181 -1.296 -10.950
48 H GLN 7 H GLN 7 3.281 0.593 -13.350
49 HA GLN 7 HA GLN 7 3.940 -0.143 -16.036
50 HB2 GLN 7 2HB GLN 7 1.722 -0.608 -15.278
51 HB3 GLN 7 3HB GLN 7 1.472 1.063 -14.790
52 HG2 GLN 7 2HG GLN 7 0.331 0.346 -16.911
53 HG3 GLN 7 3HG GLN 7 1.321 1.801 -17.018
54 HE21 GLN 7 1HE2 GLN 7 1.874 1.749 -19.118
55 HE22 GLN 7 2HE2 GLN 7 2.778 0.478 -19.862
56 H GLU 8 H GLU 8 3.842 2.812 -14.230
57 HA GLU 8 HA GLU 8 3.602 4.625 -16.384
58 HB2 GLU 8 2HB GLU 8 4.761 4.900 -13.614
59 HB3 GLU 8 3HB GLU 8 4.690 6.243 -14.746
60 HG2 GLU 8 2HG GLU 8 2.186 4.746 -14.223
61 HG3 GLU 8 3HG GLU 8 2.799 5.803 -12.953
62 H LYS 9 H LYS 9 6.264 2.806 -15.103
63 HA LYS 9 HA LYS 9 8.032 4.061 -17.096
64 HB2 LYS 9 2HB LYS 9 8.537 3.419 -14.222
65 HB3 LYS 9 3HB LYS 9 9.869 3.287 -15.363
66 HG2 LYS 9 2HG LYS 9 8.255 5.779 -15.380
67 HG3 LYS 9 3HG LYS 9 9.383 5.516 -14.048
68 HD2 LYS 9 2HD LYS 9 11.075 4.954 -15.940
69 HD3 LYS 9 3HD LYS 9 9.940 5.826 -16.973
70 HE2 LYS 9 2HE LYS 9 10.141 7.797 -15.585
71 HE3 LYS 9 3HE LYS 9 11.178 6.930 -14.454
72 HZ1 LYS 9 3HZ LYS 9 12.916 7.517 -15.667
73 HZ2 LYS 9 1HZ LYS 9 11.917 8.325 -16.768
74 HZ3 LYS 9 2HZ LYS 9 12.290 6.693 -17.006
75 H GLY 10 H GLY 10 8.364 1.284 -14.893
76 HA2 GLY 10 2HA GLY 10 7.861 -0.790 -16.625
77 HA3 GLY 10 3HA GLY 10 9.526 -0.329 -16.951
78 H PHE 11 H PHE 11 10.378 -2.268 -16.205
79 HA PHE 11 HA PHE 11 9.783 -3.221 -13.555
80 HB2 PHE 11 2HB PHE 11 10.291 -4.870 -15.222
81 HB3 PHE 11 3HB PHE 11 11.808 -4.074 -15.627
82 HD1 PHE 11 HD2 PHE 11 10.052 -6.015 -13.027
83 HD2 PHE 11 HD1 PHE 11 13.785 -4.520 -14.422
84 HE1 PHE 11 HE2 PHE 11 11.225 -7.437 -11.399
85 HE2 PHE 11 HE1 PHE 11 14.965 -5.941 -12.796
86 HZ PHE 11 HZ PHE 11 13.685 -7.401 -11.281
87 H LEU 12 H LEU 12 12.504 -1.607 -15.145
88 HA LEU 12 HA LEU 12 14.348 -1.649 -13.080
89 HB2 LEU 12 2HB LEU 12 13.818 0.477 -15.146
90 HB3 LEU 12 3HB LEU 12 15.226 0.467 -14.086
91 HG LEU 12 HG LEU 12 15.522 -1.953 -15.163
92 HD11 LEU 12 1HD1 LEU 12 14.993 -1.246 -17.726
93 HD12 LEU 12 2HD1 LEU 12 13.603 -0.557 -16.889
94 HD13 LEU 12 3HD1 LEU 12 13.958 -2.278 -16.738
95 HD21 LEU 12 3HD2 LEU 12 16.425 0.125 -17.015
96 HD22 LEU 12 1HD2 LEU 12 17.354 -1.042 -16.073
97 HD23 LEU 12 2HD2 LEU 12 16.799 0.454 -15.322
98 H TYR 13 H TYR 13 11.640 0.546 -13.617
99 HA TYR 13 HA TYR 13 12.169 2.496 -11.738
100 HB2 TYR 13 2HB TYR 13 10.302 2.751 -13.216
101 HB3 TYR 13 3HB TYR 13 9.535 1.293 -12.596
102 HD1 TYR 13 HD2 TYR 13 8.440 1.302 -10.400
103 HD2 TYR 13 HD1 TYR 13 10.143 4.843 -12.032
104 HE1 TYR 13 HE2 TYR 13 7.190 2.650 -8.766
105 HE2 TYR 13 HE1 TYR 13 8.899 6.201 -10.401
106 HH TYR 13 HH TYR 13 6.782 4.683 -7.983
107 H ARG 14 H ARG 14 10.414 -0.561 -11.245
108 HA ARG 14 HA ARG 14 9.839 -0.262 -8.543
109 HB2 ARG 14 2HB ARG 14 9.272 -2.154 -10.340
110 HB3 ARG 14 3HB ARG 14 10.594 -2.969 -9.517
111 HG2 ARG 14 2HG ARG 14 9.445 -2.882 -7.428
112 HG3 ARG 14 3HG ARG 14 8.191 -1.840 -8.105
113 HD2 ARG 14 2HD ARG 14 8.636 -4.425 -9.466
114 HD3 ARG 14 3HD ARG 14 7.932 -4.501 -7.852
115 HE ARG 14 HE ARG 14 6.509 -2.582 -9.253
116 HH11 ARG 14 1HH1 ARG 14 7.141 -5.998 -9.481
117 HH12 ARG 14 2HH1 ARG 14 5.626 -6.360 -10.242
118 HH21 ARG 14 1HH2 ARG 14 4.512 -3.046 -10.253
119 HH22 ARG 14 2HH2 ARG 14 4.132 -4.679 -10.681
120 H LEU 15 H LEU 15 12.833 -1.013 -10.118
121 HA LEU 15 HA LEU 15 14.142 -2.083 -7.804
122 HB2 LEU 15 2HB LEU 15 15.470 -0.896 -10.226
123 HB3 LEU 15 3HB LEU 15 16.118 -2.100 -9.114
124 HG LEU 15 HG LEU 15 13.873 -2.541 -11.083
125 HD11 LEU 15 1HD1 LEU 15 15.490 -3.990 -12.225
126 HD12 LEU 15 2HD1 LEU 15 16.737 -3.483 -11.086
127 HD13 LEU 15 3HD1 LEU 15 16.020 -2.308 -12.188
128 HD21 LEU 15 3HD2 LEU 15 15.296 -4.557 -9.353
129 HD22 LEU 15 1HD2 LEU 15 13.911 -4.829 -10.411
130 HD23 LEU 15 2HD2 LEU 15 13.730 -3.849 -8.955
131 H THR 16 H THR 16 13.351 -0.228 -6.438
132 HA THR 16 HA THR 16 15.358 1.929 -6.478
133 HB THR 16 HB THR 16 13.530 3.341 -5.348
134 HG1 THR 16 HG1 THR 16 11.456 2.675 -5.606
135 HG21 THR 16 3HG2 THR 16 14.000 4.200 -7.398
136 HG22 THR 16 1HG2 THR 16 12.392 3.578 -7.766
137 HG23 THR 16 2HG2 THR 16 13.821 2.645 -8.211
138 H SER 17 H SER 17 15.757 2.917 -4.360
139 HA SER 17 HA SER 17 16.276 0.980 -2.386
140 HB2 SER 17 2HB SER 17 17.318 3.373 -2.835
141 HB3 SER 17 3HB SER 17 16.115 3.871 -1.645
142 HG SER 17 HG SER 17 17.989 3.339 -0.561
143 H ARG 18 H ARG 18 13.612 3.195 -2.872
144 HA ARG 18 HA ARG 18 12.467 2.903 -0.284
145 HB2 ARG 18 2HB ARG 18 11.580 4.028 -2.900
146 HB3 ARG 18 3HB ARG 18 10.351 3.669 -1.694
147 HG2 ARG 18 2HG ARG 18 10.985 5.966 -1.496
148 HG3 ARG 18 3HG ARG 18 11.581 5.092 -0.084
149 HD2 ARG 18 2HD ARG 18 13.802 5.062 -0.942
150 HD3 ARG 18 3HD ARG 18 13.266 5.654 -2.514
151 HE ARG 18 HE ARG 18 13.269 7.790 -1.678
152 HH11 ARG 18 1HH1 ARG 18 13.490 5.518 0.951
153 HH12 ARG 18 2HH1 ARG 18 13.814 6.731 2.144
154 HH21 ARG 18 1HH2 ARG 18 13.695 9.397 -0.116
155 HH22 ARG 18 2HH2 ARG 18 13.930 8.937 1.536
156 H TYR 19 H TYR 19 11.614 1.511 -3.452
157 HA TYR 19 HA TYR 19 9.504 -0.086 -2.668
158 HB2 TYR 19 2HB TYR 19 9.998 0.160 -4.998
159 HB3 TYR 19 3HB TYR 19 11.600 -0.541 -4.795
160 HD1 TYR 19 HD2 TYR 19 7.977 -1.349 -4.587
161 HD2 TYR 19 HD1 TYR 19 11.932 -2.844 -5.065
162 HE1 TYR 19 HE2 TYR 19 7.067 -3.570 -5.126
163 HE2 TYR 19 HE1 TYR 19 11.033 -5.068 -5.606
164 HH TYR 19 HH TYR 19 7.600 -5.602 -6.052
165 H ARG 20 H ARG 20 12.932 -1.042 -2.891
166 HA ARG 20 HA ARG 20 12.662 -3.630 -1.909
167 HB2 ARG 20 2HB ARG 20 15.001 -1.743 -1.576
168 HB3 ARG 20 3HB ARG 20 15.058 -3.485 -1.345
169 HG2 ARG 20 2HG ARG 20 14.566 -3.853 -3.678
170 HG3 ARG 20 3HG ARG 20 14.365 -2.119 -3.936
171 HD2 ARG 20 2HD ARG 20 16.928 -3.156 -2.811
172 HD3 ARG 20 3HD ARG 20 16.620 -3.296 -4.541
173 HE ARG 20 HE ARG 20 16.108 -0.658 -3.689
174 HH11 ARG 20 1HH1 ARG 20 18.740 -2.864 -4.260
175 HH12 ARG 20 2HH1 ARG 20 19.880 -1.613 -4.631
176 HH21 ARG 20 1HH2 ARG 20 17.600 0.998 -4.174
177 HH22 ARG 20 2HH2 ARG 20 19.231 0.583 -4.580
178 H HIS 21 H HIS 21 12.620 -0.587 -0.250
179 HA HIS 21 HA HIS 21 13.070 -1.730 2.363
180 HB2 HIS 21 2HB HIS 21 13.543 0.718 1.460
181 HB3 HIS 21 3HB HIS 21 11.892 0.990 2.009
182 HD1 HIS 21 HD1 HIS 21 11.672 -0.247 4.640
183 HD2 HIS 21 HD2 HIS 21 15.226 1.513 3.403
184 HE1 HIS 21 HE1 HIS 21 12.930 0.282 6.752
185 H TYR 22 H TYR 22 10.373 -1.019 0.314
186 HA TYR 22 HA TYR 22 8.391 -1.027 2.382
187 HB2 TYR 22 2HB TYR 22 8.363 -1.009 -0.605
188 HB3 TYR 22 3HB TYR 22 6.893 -1.472 0.246
189 HD1 TYR 22 HD1 TYR 22 6.066 0.173 2.084
190 HD2 TYR 22 HD2 TYR 22 8.804 1.239 -0.993
191 HE1 TYR 22 HE1 TYR 22 5.504 2.544 2.413
192 HE2 TYR 22 HE2 TYR 22 8.250 3.613 -0.672
193 HH TYR 22 HH TYR 22 5.962 4.845 0.356
194 H ALA 23 H ALA 23 9.261 -3.349 -0.180
195 HA ALA 23 HA ALA 23 7.541 -5.402 0.643
196 HB1 ALA 23 1HB ALA 23 8.403 -6.548 -1.080
197 HB2 ALA 23 2HB ALA 23 9.227 -5.035 -1.460
198 HB3 ALA 23 3HB ALA 23 10.065 -6.292 -0.550
199 H ALA 24 H ALA 24 10.698 -4.439 1.773
200 HA ALA 24 HA ALA 24 11.227 -6.847 3.234
201 HB1 ALA 24 1HB ALA 24 12.522 -4.211 3.823
202 HB2 ALA 24 2HB ALA 24 13.200 -5.835 3.935
203 HB3 ALA 24 3HB ALA 24 12.913 -5.107 2.355
204 H PHE 25 H PHE 25 9.047 -4.399 3.707
205 HA PHE 25 HA PHE 25 8.944 -4.946 6.598
206 HB2 PHE 25 2HB PHE 25 8.709 -2.318 5.161
207 HB3 PHE 25 3HB PHE 25 7.922 -2.558 6.718
208 HD1 PHE 25 HD1 PHE 25 11.256 -3.171 5.152
209 HD2 PHE 25 HD2 PHE 25 9.077 -1.870 8.569
210 HE1 PHE 25 HE1 PHE 25 13.370 -2.644 6.295
211 HE2 PHE 25 HE2 PHE 25 11.187 -1.340 9.717
212 HZ PHE 25 HZ PHE 25 13.338 -1.726 8.580
213 H GLU 26 H GLU 26 7.454 -5.378 3.731
214 HA GLU 26 HA GLU 26 4.782 -5.413 4.974
215 HB2 GLU 26 2HB GLU 26 5.677 -4.324 2.382
216 HB3 GLU 26 3HB GLU 26 4.211 -5.292 2.318
217 HG2 GLU 26 2HG GLU 26 4.504 -3.105 4.334
218 HG3 GLU 26 3HG GLU 26 4.025 -2.749 2.676
219 H ARG 27 H ARG 27 7.040 -6.956 2.766
220 HA ARG 27 HA ARG 27 5.595 -9.479 3.146
221 HB2 ARG 27 2HB ARG 27 5.784 -10.066 0.814
222 HB3 ARG 27 3HB ARG 27 4.955 -8.521 0.945
223 HG2 ARG 27 2HG ARG 27 6.484 -7.505 -0.298
224 HG3 ARG 27 3HG ARG 27 7.804 -8.157 0.676
225 HD2 ARG 27 2HD ARG 27 7.455 -10.334 -0.588
226 HD3 ARG 27 3HD ARG 27 6.436 -9.409 -1.690
227 HE ARG 27 HE ARG 27 8.325 -8.538 -2.627
228 HH11 ARG 27 1HH1 ARG 27 9.122 -9.833 0.504
229 HH12 ARG 27 2HH1 ARG 27 10.827 -9.581 0.319
230 HH21 ARG 27 1HH2 ARG 27 10.567 -8.201 -2.883
231 HH22 ARG 27 2HH2 ARG 27 11.647 -8.652 -1.607
232 H ALA 28 H ALA 28 7.976 -8.444 4.392
233 HA ALA 28 HA ALA 28 10.278 -9.632 3.183
234 HB1 ALA 28 1HB ALA 28 10.706 -9.266 5.960
235 HB2 ALA 28 2HB ALA 28 11.293 -8.281 4.619
236 HB3 ALA 28 3HB ALA 28 9.746 -7.906 5.377
237 H THR 29 H THR 29 8.905 -10.365 6.386
238 HA THR 29 HA THR 29 9.659 -13.174 5.976
239 HB THR 29 HB THR 29 10.531 -11.859 7.988
240 HG1 THR 29 HG1 THR 29 10.644 -13.744 9.030
241 HG21 THR 29 3HG2 THR 29 8.283 -10.830 8.482
242 HG22 THR 29 1HG2 THR 29 9.095 -11.559 9.867
243 HG23 THR 29 2HG2 THR 29 7.772 -12.412 9.071
244 H PHE 30 H PHE 30 6.965 -11.058 6.568
245 HA PHE 30 HA PHE 30 5.174 -13.381 6.803
246 HB2 PHE 30 2HB PHE 30 3.513 -11.485 7.504
247 HB3 PHE 30 3HB PHE 30 4.706 -12.071 8.659
248 HD1 PHE 30 HD2 PHE 30 4.828 -9.621 5.845
249 HD2 PHE 30 HD1 PHE 30 5.456 -10.365 9.989
250 HE1 PHE 30 HE2 PHE 30 5.676 -7.328 6.125
251 HE2 PHE 30 HE1 PHE 30 6.304 -8.073 10.276
252 HZ PHE 30 HZ PHE 30 6.416 -6.552 8.342
Start of MODEL 15
1 H1 TYR 1 H TYR 1 0.548 -5.665 -4.407
2 HA TYR 1 HA TYR 1 1.314 -3.208 -2.979
3 HB2 TYR 1 2HB TYR 1 3.245 -4.755 -3.777
4 HB3 TYR 1 3HB TYR 1 2.841 -4.162 -5.384
5 HD1 TYR 1 HD2 TYR 1 3.501 -2.810 -1.959
6 HD2 TYR 1 HD1 TYR 1 3.997 -2.324 -6.157
7 HE1 TYR 1 HE2 TYR 1 4.875 -0.809 -1.560
8 HE2 TYR 1 HE1 TYR 1 5.373 -0.323 -5.769
9 HH TYR 1 HH TYR 1 5.427 1.458 -3.486
10 H ALA 2 H ALA 2 1.510 -1.314 -4.480
11 HA ALA 2 HA ALA 2 -0.862 -1.163 -6.103
12 HB1 ALA 2 1HB ALA 2 0.446 0.648 -4.582
13 HB2 ALA 2 2HB ALA 2 1.033 1.085 -6.187
14 HB3 ALA 2 3HB ALA 2 -0.699 1.068 -5.856
15 H GLU 3 H GLU 3 -0.846 -2.001 -8.087
16 HA GLU 3 HA GLU 3 1.433 -2.498 -9.639
17 HB2 GLU 3 2HB GLU 3 -1.502 -2.377 -10.231
18 HB3 GLU 3 3HB GLU 3 -0.354 -2.555 -11.549
19 HG2 GLU 3 2HG GLU 3 -0.984 -4.732 -11.030
20 HG3 GLU 3 3HG GLU 3 0.582 -4.532 -10.245
21 H LYS 4 H LYS 4 -0.638 0.305 -9.388
22 HA LYS 4 HA LYS 4 -0.040 1.670 -11.713
23 HB2 LYS 4 2HB LYS 4 -0.608 2.628 -8.918
24 HB3 LYS 4 3HB LYS 4 -0.318 3.761 -10.231
25 HG2 LYS 4 2HG LYS 4 -2.258 3.149 -11.355
26 HG3 LYS 4 3HG LYS 4 -2.394 1.620 -10.485
27 HD2 LYS 4 2HD LYS 4 -4.054 2.985 -9.547
28 HD3 LYS 4 3HD LYS 4 -2.724 3.048 -8.389
29 HE2 LYS 4 2HE LYS 4 -2.847 5.101 -10.543
30 HE3 LYS 4 3HE LYS 4 -3.962 5.237 -9.184
31 HZ1 LYS 4 3HZ LYS 4 -1.676 4.802 -7.902
32 HZ2 LYS 4 1HZ LYS 4 -2.247 6.349 -8.280
33 HZ3 LYS 4 2HZ LYS 4 -1.085 5.613 -9.263
34 H VAL 5 H VAL 5 1.928 1.175 -8.874
35 HA VAL 5 HA VAL 5 4.083 2.736 -10.145
36 HB VAL 5 HB VAL 5 3.799 2.217 -7.185
37 HG11 VAL 5 1HG1 VAL 5 6.059 2.605 -7.651
38 HG12 VAL 5 2HG1 VAL 5 5.692 3.836 -8.861
39 HG13 VAL 5 3HG1 VAL 5 5.443 4.178 -7.148
40 HG21 VAL 5 3HG2 VAL 5 3.430 4.882 -7.448
41 HG22 VAL 5 1HG2 VAL 5 2.635 4.299 -8.910
42 HG23 VAL 5 2HG2 VAL 5 2.116 3.712 -7.331
43 H ALA 6 H ALA 6 4.546 0.704 -11.286
44 HA ALA 6 HA ALA 6 6.509 -0.838 -9.812
45 HB1 ALA 6 1HB ALA 6 5.203 -2.894 -11.072
46 HB2 ALA 6 2HB ALA 6 5.094 -2.506 -9.354
47 HB3 ALA 6 3HB ALA 6 3.874 -1.900 -10.474
48 H GLN 7 H GLN 7 4.729 -1.488 -12.821
49 HA GLN 7 HA GLN 7 7.290 -1.343 -14.259
50 HB2 GLN 7 2HB GLN 7 6.430 -2.894 -15.833
51 HB3 GLN 7 3HB GLN 7 5.999 -3.519 -14.246
52 HG2 GLN 7 2HG GLN 7 3.738 -2.633 -14.510
53 HG3 GLN 7 3HG GLN 7 4.170 -2.011 -16.102
54 HE21 GLN 7 1HE2 GLN 7 4.726 -3.543 -17.752
55 HE22 GLN 7 2HE2 GLN 7 4.059 -5.136 -17.710
56 H GLU 8 H GLU 8 4.281 0.181 -13.870
57 HA GLU 8 HA GLU 8 3.666 1.180 -16.366
58 HB2 GLU 8 2HB GLU 8 3.330 2.247 -13.592
59 HB3 GLU 8 3HB GLU 8 2.933 3.277 -14.960
60 HG2 GLU 8 2HG GLU 8 1.531 1.232 -15.744
61 HG3 GLU 8 3HG GLU 8 1.632 0.755 -14.050
62 H LYS 9 H LYS 9 6.253 2.081 -14.214
63 HA LYS 9 HA LYS 9 6.996 4.322 -15.955
64 HB2 LYS 9 2HB LYS 9 6.865 4.413 -13.341
65 HB3 LYS 9 3HB LYS 9 8.438 3.630 -13.421
66 HG2 LYS 9 2HG LYS 9 9.477 5.481 -14.206
67 HG3 LYS 9 3HG LYS 9 8.057 6.038 -15.094
68 HD2 LYS 9 2HD LYS 9 7.137 6.300 -12.592
69 HD3 LYS 9 3HD LYS 9 8.861 6.524 -12.286
70 HE2 LYS 9 2HE LYS 9 8.107 8.684 -12.698
71 HE3 LYS 9 3HE LYS 9 8.768 8.185 -14.254
72 HZ1 LYS 9 3HZ LYS 9 6.027 7.477 -14.040
73 HZ2 LYS 9 1HZ LYS 9 6.794 8.441 -15.199
74 HZ3 LYS 9 2HZ LYS 9 6.232 9.133 -13.762
75 H GLY 10 H GLY 10 8.038 1.167 -14.875
76 HA2 GLY 10 2HA GLY 10 9.471 0.287 -16.910
77 HA3 GLY 10 3HA GLY 10 10.609 1.444 -16.237
78 H PHE 11 H PHE 11 11.462 -1.073 -16.391
79 HA PHE 11 HA PHE 11 10.865 -2.623 -14.062
80 HB2 PHE 11 2HB PHE 11 11.623 -3.689 -16.133
81 HB3 PHE 11 3HB PHE 11 13.160 -2.838 -16.021
82 HD1 PHE 11 HD1 PHE 11 11.016 -5.074 -13.940
83 HD2 PHE 11 HD2 PHE 11 14.946 -3.990 -15.165
84 HE1 PHE 11 HE1 PHE 11 11.939 -6.927 -12.610
85 HE2 PHE 11 HE2 PHE 11 15.874 -5.842 -13.838
86 HZ PHE 11 HZ PHE 11 14.371 -7.314 -12.558
87 H LEU 12 H LEU 12 13.820 -0.913 -15.100
88 HA LEU 12 HA LEU 12 15.296 -1.206 -12.787
89 HB2 LEU 12 2HB LEU 12 15.275 1.286 -14.475
90 HB3 LEU 12 3HB LEU 12 16.605 0.658 -13.503
91 HG LEU 12 HG LEU 12 15.521 -0.499 -16.068
92 HD11 LEU 12 1HD1 LEU 12 18.310 0.446 -15.496
93 HD12 LEU 12 2HD1 LEU 12 17.057 1.541 -16.081
94 HD13 LEU 12 3HD1 LEU 12 17.538 0.151 -17.054
95 HD21 LEU 12 3HD2 LEU 12 16.112 -2.296 -14.535
96 HD22 LEU 12 1HD2 LEU 12 17.686 -1.554 -14.251
97 HD23 LEU 12 2HD2 LEU 12 17.284 -2.184 -15.849
98 H TYR 13 H TYR 13 12.737 1.088 -13.502
99 HA TYR 13 HA TYR 13 13.067 2.923 -11.465
100 HB2 TYR 13 2HB TYR 13 11.389 3.307 -13.123
101 HB3 TYR 13 3HB TYR 13 10.547 1.818 -12.709
102 HD1 TYR 13 HD1 TYR 13 11.439 5.176 -11.394
103 HD2 TYR 13 HD2 TYR 13 8.844 1.818 -11.094
104 HE1 TYR 13 HE1 TYR 13 10.010 6.428 -9.833
105 HE2 TYR 13 HE2 TYR 13 7.407 3.061 -9.533
106 HH TYR 13 HH TYR 13 7.772 6.436 -8.987
107 H ARG 14 H ARG 14 11.087 -0.043 -11.354
108 HA ARG 14 HA ARG 14 10.267 0.097 -8.722
109 HB2 ARG 14 2HB ARG 14 9.944 -1.703 -10.728
110 HB3 ARG 14 3HB ARG 14 11.014 -2.601 -9.659
111 HG2 ARG 14 2HG ARG 14 9.453 -2.768 -8.004
112 HG3 ARG 14 3HG ARG 14 8.636 -1.276 -8.473
113 HD2 ARG 14 2HD ARG 14 7.109 -2.858 -9.152
114 HD3 ARG 14 3HD ARG 14 8.041 -2.619 -10.630
115 HE ARG 14 HE ARG 14 9.011 -4.747 -8.947
116 HH11 ARG 14 1HH1 ARG 14 6.839 -3.870 -11.522
117 HH12 ARG 14 2HH1 ARG 14 6.741 -5.477 -12.162
118 HH21 ARG 14 1HH2 ARG 14 8.890 -6.867 -9.780
119 HH22 ARG 14 2HH2 ARG 14 7.907 -7.181 -11.170
120 H LEU 15 H LEU 15 13.373 -0.816 -10.017
121 HA LEU 15 HA LEU 15 14.358 -1.963 -7.579
122 HB2 LEU 15 2HB LEU 15 16.035 -0.918 -9.840
123 HB3 LEU 15 3HB LEU 15 16.425 -2.194 -8.688
124 HG LEU 15 HG LEU 15 14.342 -2.395 -10.862
125 HD11 LEU 15 1HD1 LEU 15 15.876 -3.746 -12.066
126 HD12 LEU 15 2HD1 LEU 15 17.028 -3.744 -10.732
127 HD13 LEU 15 3HD1 LEU 15 16.727 -2.261 -11.637
128 HD21 LEU 15 3HD2 LEU 15 13.913 -3.755 -8.832
129 HD22 LEU 15 1HD2 LEU 15 15.482 -4.528 -9.062
130 HD23 LEU 15 2HD2 LEU 15 14.217 -4.723 -10.276
131 H THR 16 H THR 16 13.557 0.006 -6.349
132 HA THR 16 HA THR 16 15.762 1.949 -6.155
133 HB THR 16 HB THR 16 13.954 3.587 -5.338
134 HG1 THR 16 HG1 THR 16 11.887 3.105 -6.415
135 HG21 THR 16 3HG2 THR 16 14.920 4.223 -7.330
136 HG22 THR 16 1HG2 THR 16 13.250 3.982 -7.838
137 HG23 THR 16 2HG2 THR 16 14.456 2.735 -8.155
138 H SER 17 H SER 17 16.022 2.919 -4.032
139 HA SER 17 HA SER 17 16.090 1.065 -1.964
140 HB2 SER 17 2HB SER 17 17.246 3.430 -2.279
141 HB3 SER 17 3HB SER 17 15.891 3.969 -1.288
142 HG SER 17 HG SER 17 17.711 1.897 -0.610
143 H ARG 18 H ARG 18 13.709 3.598 -2.645
144 HA ARG 18 HA ARG 18 12.148 3.324 -0.349
145 HB2 ARG 18 2HB ARG 18 11.633 4.309 -3.124
146 HB3 ARG 18 3HB ARG 18 10.268 4.081 -2.039
147 HG2 ARG 18 2HG ARG 18 10.838 6.316 -1.767
148 HG3 ARG 18 3HG ARG 18 11.587 5.518 -0.382
149 HD2 ARG 18 2HD ARG 18 13.133 7.102 -1.365
150 HD3 ARG 18 3HD ARG 18 13.723 5.457 -1.596
151 HE ARG 18 HE ARG 18 12.250 6.163 -3.856
152 HH11 ARG 18 1HH1 ARG 18 15.189 7.091 -2.236
153 HH12 ARG 18 2HH1 ARG 18 15.982 7.603 -3.689
154 HH21 ARG 18 1HH2 ARG 18 13.283 6.834 -5.775
155 HH22 ARG 18 2HH2 ARG 18 14.896 7.458 -5.701
156 H TYR 19 H TYR 19 11.518 1.914 -3.569
157 HA TYR 19 HA TYR 19 9.376 0.303 -2.816
158 HB2 TYR 19 2HB TYR 19 9.805 0.673 -5.142
159 HB3 TYR 19 3HB TYR 19 11.416 -0.027 -5.019
160 HD1 TYR 19 HD2 TYR 19 7.814 -0.774 -5.101
161 HD2 TYR 19 HD1 TYR 19 11.744 -2.405 -5.075
162 HE1 TYR 19 HE2 TYR 19 6.901 -2.969 -5.731
163 HE2 TYR 19 HE1 TYR 19 10.842 -4.604 -5.706
164 HH TYR 19 HH TYR 19 8.070 -5.636 -5.319
165 H ARG 20 H ARG 20 12.807 -0.603 -3.156
166 HA ARG 20 HA ARG 20 12.590 -3.247 -2.330
167 HB2 ARG 20 2HB ARG 20 14.858 -1.274 -2.071
168 HB3 ARG 20 3HB ARG 20 15.015 -2.969 -1.628
169 HG2 ARG 20 2HG ARG 20 14.059 -3.290 -4.089
170 HG3 ARG 20 3HG ARG 20 14.821 -1.712 -4.298
171 HD2 ARG 20 2HD ARG 20 16.358 -3.518 -4.873
172 HD3 ARG 20 3HD ARG 20 16.932 -2.614 -3.473
173 HE ARG 20 HE ARG 20 15.397 -4.919 -2.750
174 HH11 ARG 20 1HH1 ARG 20 18.554 -3.806 -3.705
175 HH12 ARG 20 2HH1 ARG 20 19.390 -5.122 -2.948
176 HH21 ARG 20 1HH2 ARG 20 16.485 -6.655 -1.750
177 HH22 ARG 20 2HH2 ARG 20 18.212 -6.742 -1.837
178 H HIS 21 H HIS 21 12.491 -0.319 -0.484
179 HA HIS 21 HA HIS 21 12.913 -1.682 2.047
180 HB2 HIS 21 2HB HIS 21 12.552 1.166 1.203
181 HB3 HIS 21 3HB HIS 21 12.246 0.726 2.881
182 HD1 HIS 21 HD1 HIS 21 14.950 -1.177 1.270
183 HD2 HIS 21 HD2 HIS 21 14.565 2.322 3.476
184 HE1 HIS 21 HE1 HIS 21 17.279 -0.594 2.017
185 H TYR 22 H TYR 22 10.300 -0.609 0.046
186 HA TYR 22 HA TYR 22 8.299 -0.619 2.094
187 HB2 TYR 22 2HB TYR 22 8.229 -0.514 -0.910
188 HB3 TYR 22 3HB TYR 22 6.748 -0.702 0.022
189 HD1 TYR 22 HD2 TYR 22 7.056 1.048 2.275
190 HD2 TYR 22 HD1 TYR 22 8.324 1.638 -1.743
191 HE1 TYR 22 HE2 TYR 22 6.949 3.483 2.605
192 HE2 TYR 22 HE1 TYR 22 8.222 4.074 -1.424
193 HH TYR 22 HH TYR 22 6.647 5.533 1.104
194 H ALA 23 H ALA 23 8.979 -2.805 -0.642
195 HA ALA 23 HA ALA 23 7.117 -4.778 0.053
196 HB1 ALA 23 1HB ALA 23 9.470 -5.880 -1.222
197 HB2 ALA 23 2HB ALA 23 7.820 -5.733 -1.830
198 HB3 ALA 23 3HB ALA 23 8.944 -4.385 -1.996
199 H ALA 24 H ALA 24 10.344 -4.139 1.211
200 HA ALA 24 HA ALA 24 10.676 -6.688 2.494
201 HB1 ALA 24 1HB ALA 24 12.512 -5.090 1.670
202 HB2 ALA 24 2HB ALA 24 12.240 -4.226 3.184
203 HB3 ALA 24 3HB ALA 24 12.752 -5.913 3.211
204 H PHE 25 H PHE 25 8.707 -4.138 3.155
205 HA PHE 25 HA PHE 25 8.622 -4.829 6.012
206 HB2 PHE 25 2HB PHE 25 8.657 -2.102 4.756
207 HB3 PHE 25 3HB PHE 25 7.858 -2.357 6.304
208 HD1 PHE 25 HD2 PHE 25 11.101 -3.153 4.637
209 HD2 PHE 25 HD1 PHE 25 9.088 -1.991 8.202
210 HE1 PHE 25 HE2 PHE 25 13.266 -2.934 5.784
211 HE2 PHE 25 HE1 PHE 25 11.250 -1.770 9.355
212 HZ PHE 25 HZ PHE 25 13.343 -2.243 8.146
213 H GLU 26 H GLU 26 7.054 -5.003 3.192
214 HA GLU 26 HA GLU 26 4.411 -4.781 4.474
215 HB2 GLU 26 2HB GLU 26 5.375 -3.724 1.884
216 HB3 GLU 26 3HB GLU 26 3.788 -4.479 1.861
217 HG2 GLU 26 2HG GLU 26 4.491 -2.385 3.883
218 HG3 GLU 26 3HG GLU 26 3.925 -1.961 2.268
219 H ARG 27 H ARG 27 6.453 -6.464 2.158
220 HA ARG 27 HA ARG 27 4.706 -8.811 2.425
221 HB2 ARG 27 2HB ARG 27 5.183 -9.344 0.023
222 HB3 ARG 27 3HB ARG 27 4.169 -7.928 0.267
223 HG2 ARG 27 2HG ARG 27 5.582 -7.094 -1.295
224 HG3 ARG 27 3HG ARG 27 6.509 -6.693 0.152
225 HD2 ARG 27 2HD ARG 27 7.920 -7.712 -1.568
226 HD3 ARG 27 3HD ARG 27 7.838 -8.713 -0.119
227 HE ARG 27 HE ARG 27 5.898 -9.454 -2.088
228 HH11 ARG 27 1HH1 ARG 27 9.224 -9.802 -1.120
229 HH12 ARG 27 2HH1 ARG 27 9.434 -11.324 -1.919
230 HH21 ARG 27 1HH2 ARG 27 6.162 -11.459 -3.144
231 HH22 ARG 27 2HH2 ARG 27 7.692 -12.266 -3.071
232 H ALA 28 H ALA 28 7.372 -7.842 3.525
233 HA ALA 28 HA ALA 28 9.467 -9.365 2.455
234 HB1 ALA 28 1HB ALA 28 10.513 -8.073 3.929
235 HB2 ALA 28 2HB ALA 28 9.013 -7.747 4.798
236 HB3 ALA 28 3HB ALA 28 9.967 -9.178 5.191
237 H THR 29 H THR 29 8.044 -10.051 5.637
238 HA THR 29 HA THR 29 8.423 -12.913 5.105
239 HB THR 29 HB THR 29 9.454 -11.795 7.160
240 HG1 THR 29 HG1 THR 29 9.497 -13.820 7.741
241 HG21 THR 29 3HG2 THR 29 6.671 -12.067 8.278
242 HG22 THR 29 1HG2 THR 29 7.312 -10.535 7.686
243 HG23 THR 29 2HG2 THR 29 8.089 -11.350 9.043
244 H PHE 30 H PHE 30 6.009 -10.509 5.800
245 HA PHE 30 HA PHE 30 3.949 -12.604 5.949
246 HB2 PHE 30 2HB PHE 30 2.534 -10.551 6.747
247 HB3 PHE 30 3HB PHE 30 3.646 -11.334 7.865
248 HD1 PHE 30 HD2 PHE 30 4.075 -8.792 5.166
249 HD2 PHE 30 HD1 PHE 30 4.599 -9.796 9.269
250 HE1 PHE 30 HE2 PHE 30 5.202 -6.638 5.546
251 HE2 PHE 30 HE1 PHE 30 5.725 -7.643 9.656
252 HZ PHE 30 HZ PHE 30 6.029 -6.061 7.793
Start of MODEL 16
1 H1 TYR 1 H TYR 1 -0.917 -4.373 -4.459
2 HA TYR 1 HA TYR 1 0.872 -3.017 -3.039
3 HB2 TYR 1 2HB TYR 1 1.213 -5.213 -4.295
4 HB3 TYR 1 3HB TYR 1 1.735 -4.233 -5.661
5 HD1 TYR 1 HD2 TYR 1 3.647 -2.517 -5.150
6 HD2 TYR 1 HD1 TYR 1 2.784 -5.917 -2.743
7 HE1 TYR 1 HE2 TYR 1 5.924 -2.432 -4.225
8 HE2 TYR 1 HE1 TYR 1 5.058 -5.841 -1.810
9 HH TYR 1 HH TYR 1 7.395 -4.856 -2.735
10 H ALA 2 H ALA 2 0.934 -2.657 -6.588
11 HA ALA 2 HA ALA 2 2.089 0.017 -6.226
12 HB1 ALA 2 1HB ALA 2 3.129 -1.854 -7.703
13 HB2 ALA 2 2HB ALA 2 1.909 -1.353 -8.875
14 HB3 ALA 2 3HB ALA 2 3.100 -0.191 -8.290
15 H GLU 3 H GLU 3 1.279 1.814 -7.375
16 HA GLU 3 HA GLU 3 -1.516 1.510 -8.259
17 HB2 GLU 3 2HB GLU 3 -0.312 4.031 -7.123
18 HB3 GLU 3 3HB GLU 3 -2.012 3.674 -7.392
19 HG2 GLU 3 2HG GLU 3 -1.650 1.770 -5.694
20 HG3 GLU 3 3HG GLU 3 -0.189 2.653 -5.255
21 H LYS 4 H LYS 4 -0.210 1.010 -10.314
22 HA LYS 4 HA LYS 4 0.430 1.597 -12.418
23 HB2 LYS 4 2HB LYS 4 -1.288 3.950 -11.648
24 HB3 LYS 4 3HB LYS 4 -0.560 3.813 -13.243
25 HG2 LYS 4 2HG LYS 4 -2.602 2.894 -13.654
26 HG3 LYS 4 3HG LYS 4 -1.702 1.445 -13.200
27 HD2 LYS 4 2HD LYS 4 -2.725 1.296 -11.136
28 HD3 LYS 4 3HD LYS 4 -3.120 3.016 -11.092
29 HE2 LYS 4 2HE LYS 4 -4.384 1.049 -12.993
30 HE3 LYS 4 3HE LYS 4 -5.076 1.485 -11.431
31 HZ1 LYS 4 3HZ LYS 4 -4.368 3.660 -13.250
32 HZ2 LYS 4 1HZ LYS 4 -5.652 3.541 -12.154
33 HZ3 LYS 4 2HZ LYS 4 -5.730 2.735 -13.639
34 H VAL 5 H VAL 5 2.277 2.157 -10.322
35 HA VAL 5 HA VAL 5 3.618 4.566 -11.365
36 HB VAL 5 HB VAL 5 3.035 4.728 -8.978
37 HG11 VAL 5 1HG1 VAL 5 3.999 3.286 -7.329
38 HG12 VAL 5 2HG1 VAL 5 3.185 2.278 -8.527
39 HG13 VAL 5 3HG1 VAL 5 4.942 2.434 -8.552
40 HG21 VAL 5 3HG2 VAL 5 5.371 5.198 -8.145
41 HG22 VAL 5 1HG2 VAL 5 5.957 4.552 -9.677
42 HG23 VAL 5 2HG2 VAL 5 4.928 5.984 -9.660
43 H ALA 6 H ALA 6 3.936 1.175 -10.597
44 HA ALA 6 HA ALA 6 6.764 1.145 -11.288
45 HB1 ALA 6 1HB ALA 6 5.120 -0.436 -9.650
46 HB2 ALA 6 2HB ALA 6 5.652 -1.477 -10.971
47 HB3 ALA 6 3HB ALA 6 6.841 -0.641 -9.973
48 H GLN 7 H GLN 7 3.913 -0.727 -12.351
49 HA GLN 7 HA GLN 7 5.011 -1.821 -14.636
50 HB2 GLN 7 2HB GLN 7 2.801 -2.302 -15.349
51 HB3 GLN 7 3HB GLN 7 2.768 -2.349 -13.591
52 HG2 GLN 7 2HG GLN 7 1.795 -0.126 -13.530
53 HG3 GLN 7 3HG GLN 7 1.871 -0.031 -15.288
54 HE21 GLN 7 1HE2 GLN 7 0.736 -2.379 -12.875
55 HE22 GLN 7 2HE2 GLN 7 -0.802 -2.651 -13.615
56 H GLU 8 H GLU 8 3.744 1.392 -14.111
57 HA GLU 8 HA GLU 8 3.607 2.123 -16.866
58 HB2 GLU 8 2HB GLU 8 2.521 3.204 -14.704
59 HB3 GLU 8 3HB GLU 8 3.988 4.173 -14.732
60 HG2 GLU 8 2HG GLU 8 3.404 4.674 -17.164
61 HG3 GLU 8 3HG GLU 8 1.811 4.020 -16.785
62 H LYS 9 H LYS 9 5.899 2.945 -14.264
63 HA LYS 9 HA LYS 9 7.706 4.402 -15.793
64 HB2 LYS 9 2HB LYS 9 8.009 2.758 -13.295
65 HB3 LYS 9 3HB LYS 9 9.400 3.547 -14.026
66 HG2 LYS 9 2HG LYS 9 6.938 5.125 -13.421
67 HG3 LYS 9 3HG LYS 9 8.086 4.737 -12.137
68 HD2 LYS 9 2HD LYS 9 9.872 5.819 -13.360
69 HD3 LYS 9 3HD LYS 9 8.796 6.115 -14.727
70 HE2 LYS 9 2HE LYS 9 8.105 7.156 -12.008
71 HE3 LYS 9 3HE LYS 9 9.266 8.017 -13.017
72 HZ1 LYS 9 3HZ LYS 9 6.868 8.727 -13.201
73 HZ2 LYS 9 1HZ LYS 9 6.576 7.263 -13.997
74 HZ3 LYS 9 2HZ LYS 9 7.653 8.386 -14.660
75 H GLY 10 H GLY 10 8.390 1.099 -14.638
76 HA2 GLY 10 2HA GLY 10 8.790 -0.207 -17.008
77 HA3 GLY 10 3HA GLY 10 10.289 0.673 -16.749
78 H PHE 11 H PHE 11 11.552 -1.146 -16.463
79 HA PHE 11 HA PHE 11 10.850 -2.973 -14.290
80 HB2 PHE 11 2HB PHE 11 11.553 -3.919 -16.475
81 HB3 PHE 11 3HB PHE 11 13.122 -3.144 -16.280
82 HD1 PHE 11 HD1 PHE 11 10.845 -5.381 -14.344
83 HD2 PHE 11 HD2 PHE 11 14.833 -4.451 -15.505
84 HE1 PHE 11 HE1 PHE 11 11.659 -7.351 -13.115
85 HE2 PHE 11 HE2 PHE 11 15.653 -6.420 -14.279
86 HZ PHE 11 HZ PHE 11 14.066 -7.873 -13.082
87 H LEU 12 H LEU 12 13.762 -1.234 -15.402
88 HA LEU 12 HA LEU 12 15.316 -1.571 -13.145
89 HB2 LEU 12 2HB LEU 12 15.241 0.930 -14.818
90 HB3 LEU 12 3HB LEU 12 16.596 0.320 -13.871
91 HG LEU 12 HG LEU 12 15.464 -0.915 -16.381
92 HD11 LEU 12 1HD1 LEU 12 18.185 -0.322 -16.640
93 HD12 LEU 12 2HD1 LEU 12 17.451 1.103 -15.906
94 HD13 LEU 12 3HD1 LEU 12 16.829 0.479 -17.434
95 HD21 LEU 12 3HD2 LEU 12 16.208 -2.701 -15.017
96 HD22 LEU 12 1HD2 LEU 12 17.642 -1.810 -14.508
97 HD23 LEU 12 2HD2 LEU 12 17.505 -2.384 -16.170
98 H TYR 13 H TYR 13 12.712 0.699 -13.723
99 HA TYR 13 HA TYR 13 13.114 2.537 -11.703
100 HB2 TYR 13 2HB TYR 13 11.344 2.876 -13.282
101 HB3 TYR 13 3HB TYR 13 10.544 1.385 -12.796
102 HD1 TYR 13 HD2 TYR 13 11.529 4.740 -11.517
103 HD2 TYR 13 HD1 TYR 13 8.884 1.427 -11.156
104 HE1 TYR 13 HE2 TYR 13 10.181 6.000 -9.892
105 HE2 TYR 13 HE1 TYR 13 7.528 2.679 -9.531
106 HH TYR 13 HH TYR 13 7.679 4.518 -8.036
107 H ARG 14 H ARG 14 11.322 -0.534 -11.505
108 HA ARG 14 HA ARG 14 10.595 -0.392 -8.825
109 HB2 ARG 14 2HB ARG 14 10.991 -2.603 -10.780
110 HB3 ARG 14 3HB ARG 14 10.861 -3.033 -9.079
111 HG2 ARG 14 2HG ARG 14 8.671 -2.429 -8.947
112 HG3 ARG 14 3HG ARG 14 8.820 -1.197 -10.202
113 HD2 ARG 14 2HD ARG 14 8.598 -2.726 -11.916
114 HD3 ARG 14 3HD ARG 14 9.149 -4.074 -10.922
115 HE ARG 14 HE ARG 14 6.798 -3.313 -9.775
116 HH11 ARG 14 1HH1 ARG 14 7.766 -4.250 -12.986
117 HH12 ARG 14 2HH1 ARG 14 6.226 -4.931 -13.392
118 HH21 ARG 14 1HH2 ARG 14 4.766 -4.207 -10.299
119 HH22 ARG 14 2HH2 ARG 14 4.520 -4.905 -11.864
120 H LEU 15 H LEU 15 13.664 -1.089 -10.276
121 HA LEU 15 HA LEU 15 14.814 -2.275 -7.919
122 HB2 LEU 15 2HB LEU 15 16.247 -1.146 -10.314
123 HB3 LEU 15 3HB LEU 15 16.874 -2.300 -9.139
124 HG LEU 15 HG LEU 15 14.698 -2.827 -11.162
125 HD11 LEU 15 1HD1 LEU 15 16.320 -4.280 -12.221
126 HD12 LEU 15 2HD1 LEU 15 17.524 -3.864 -11.002
127 HD13 LEU 15 3HD1 LEU 15 16.949 -2.635 -12.128
128 HD21 LEU 15 3HD2 LEU 15 16.031 -4.773 -9.289
129 HD22 LEU 15 1HD2 LEU 15 14.681 -5.078 -10.383
130 HD23 LEU 15 2HD2 LEU 15 14.459 -4.033 -8.980
131 H THR 16 H THR 16 13.823 -0.170 -6.832
132 HA THR 16 HA THR 16 16.040 1.759 -6.592
133 HB THR 16 HB THR 16 14.120 3.325 -5.747
134 HG1 THR 16 HG1 THR 16 12.623 1.382 -6.129
135 HG21 THR 16 3HG2 THR 16 15.472 3.795 -7.710
136 HG22 THR 16 1HG2 THR 16 13.778 4.146 -8.052
137 HG23 THR 16 2HG2 THR 16 14.514 2.667 -8.669
138 H SER 17 H SER 17 16.332 2.715 -4.490
139 HA SER 17 HA SER 17 16.426 0.916 -2.399
140 HB2 SER 17 2HB SER 17 17.481 3.324 -2.726
141 HB3 SER 17 3HB SER 17 16.094 3.816 -1.753
142 HG SER 17 HG SER 17 18.216 3.109 -0.708
143 H ARG 18 H ARG 18 13.983 3.422 -3.013
144 HA ARG 18 HA ARG 18 12.414 3.096 -0.764
145 HB2 ARG 18 2HB ARG 18 11.888 3.996 -3.555
146 HB3 ARG 18 3HB ARG 18 10.501 3.667 -2.524
147 HG2 ARG 18 2HG ARG 18 11.109 6.020 -2.469
148 HG3 ARG 18 3HG ARG 18 11.321 5.270 -0.886
149 HD2 ARG 18 2HD ARG 18 13.722 5.050 -1.320
150 HD3 ARG 18 3HD ARG 18 13.504 5.807 -2.897
151 HE ARG 18 HE ARG 18 12.476 7.570 -1.032
152 HH11 ARG 18 1HH1 ARG 18 15.552 6.108 -1.756
153 HH12 ARG 18 2HH1 ARG 18 16.476 7.441 -1.148
154 HH21 ARG 18 1HH2 ARG 18 13.683 9.332 -0.228
155 HH22 ARG 18 2HH2 ARG 18 15.412 9.274 -0.278
156 H TYR 19 H TYR 19 12.107 1.404 -3.882
157 HA TYR 19 HA TYR 19 9.928 -0.196 -3.274
158 HB2 TYR 19 2HB TYR 19 10.737 -0.108 -5.526
159 HB3 TYR 19 3HB TYR 19 12.313 -0.731 -5.049
160 HD1 TYR 19 HD1 TYR 19 8.731 -1.638 -5.372
161 HD2 TYR 19 HD2 TYR 19 12.726 -3.050 -4.988
162 HE1 TYR 19 HE1 TYR 19 7.962 -3.925 -5.851
163 HE2 TYR 19 HE2 TYR 19 11.969 -5.341 -5.467
164 HH TYR 19 HH TYR 19 10.227 -6.570 -6.293
165 H ARG 20 H ARG 20 13.380 -0.868 -2.768
166 HA ARG 20 HA ARG 20 13.209 -3.444 -1.785
167 HB2 ARG 20 2HB ARG 20 15.089 -1.326 -0.736
168 HB3 ARG 20 3HB ARG 20 15.343 -3.066 -0.736
169 HG2 ARG 20 2HG ARG 20 15.032 -2.711 -3.354
170 HG3 ARG 20 3HG ARG 20 15.627 -1.104 -2.929
171 HD2 ARG 20 2HD ARG 20 17.011 -3.603 -2.006
172 HD3 ARG 20 3HD ARG 20 17.349 -2.884 -3.579
173 HE ARG 20 HE ARG 20 17.603 -0.842 -1.750
174 HH11 ARG 20 1HH1 ARG 20 19.084 -3.944 -2.301
175 HH12 ARG 20 2HH1 ARG 20 20.612 -3.480 -1.629
176 HH21 ARG 20 1HH2 ARG 20 19.610 -0.219 -0.862
177 HH22 ARG 20 2HH2 ARG 20 20.909 -1.361 -0.810
178 H HIS 21 H HIS 21 13.045 -0.402 0.055
179 HA HIS 21 HA HIS 21 12.730 -1.486 2.595
180 HB2 HIS 21 2HB HIS 21 11.855 1.102 1.348
181 HB3 HIS 21 3HB HIS 21 11.404 0.717 3.007
182 HD1 HIS 21 HD1 HIS 21 14.746 -0.414 1.871
183 HD2 HIS 21 HD2 HIS 21 13.093 2.834 3.867
184 HE1 HIS 21 HE1 HIS 21 16.691 0.807 2.896
185 H TYR 22 H TYR 22 10.223 -0.549 0.251
186 HA TYR 22 HA TYR 22 7.971 -1.129 1.732
187 HB2 TYR 22 2HB TYR 22 8.550 -1.274 -1.211
188 HB3 TYR 22 3HB TYR 22 6.974 -1.753 -0.589
189 HD1 TYR 22 HD1 TYR 22 5.833 0.010 1.007
190 HD2 TYR 22 HD2 TYR 22 8.880 0.933 -1.816
191 HE1 TYR 22 HE1 TYR 22 5.115 2.362 1.011
192 HE2 TYR 22 HE2 TYR 22 8.172 3.288 -1.819
193 HH TYR 22 HH TYR 22 5.699 4.466 -1.202
194 H ALA 23 H ALA 23 9.733 -3.339 -0.437
195 HA ALA 23 HA ALA 23 8.161 -5.610 0.131
196 HB1 ALA 23 1HB ALA 23 9.697 -6.831 -1.122
197 HB2 ALA 23 2HB ALA 23 9.811 -5.207 -1.802
198 HB3 ALA 23 3HB ALA 23 11.042 -5.781 -0.677
199 H ALA 24 H ALA 24 10.836 -4.130 1.784
200 HA ALA 24 HA ALA 24 11.441 -6.422 3.416
201 HB1 ALA 24 1HB ALA 24 12.390 -3.957 4.542
202 HB2 ALA 24 2HB ALA 24 13.305 -5.296 3.847
203 HB3 ALA 24 3HB ALA 24 12.712 -4.001 2.808
204 H PHE 25 H PHE 25 8.921 -4.271 3.382
205 HA PHE 25 HA PHE 25 8.407 -4.698 6.250
206 HB2 PHE 25 2HB PHE 25 8.016 -2.231 4.583
207 HB3 PHE 25 3HB PHE 25 7.017 -2.512 6.005
208 HD1 PHE 25 HD2 PHE 25 10.634 -2.711 5.093
209 HD2 PHE 25 HD1 PHE 25 7.703 -1.476 7.923
210 HE1 PHE 25 HE2 PHE 25 12.408 -1.777 6.518
211 HE2 PHE 25 HE1 PHE 25 9.473 -0.539 9.352
212 HZ PHE 25 HZ PHE 25 11.830 -0.690 8.651
213 H GLU 26 H GLU 26 7.464 -5.392 3.161
214 HA GLU 26 HA GLU 26 4.686 -5.893 4.011
215 HB2 GLU 26 2HB GLU 26 5.782 -4.831 1.450
216 HB3 GLU 26 3HB GLU 26 4.367 -5.871 1.373
217 HG2 GLU 26 2HG GLU 26 4.337 -3.621 3.306
218 HG3 GLU 26 3HG GLU 26 4.169 -3.250 1.591
219 H ARG 27 H ARG 27 7.558 -7.104 2.471
220 HA ARG 27 HA ARG 27 6.478 -9.810 2.637
221 HB2 ARG 27 2HB ARG 27 7.465 -8.493 0.123
222 HB3 ARG 27 3HB ARG 27 7.591 -10.234 0.335
223 HG2 ARG 27 2HG ARG 27 4.986 -8.789 0.670
224 HG3 ARG 27 3HG ARG 27 5.558 -9.336 -0.907
225 HD2 ARG 27 2HD ARG 27 5.814 -11.630 0.144
226 HD3 ARG 27 3HD ARG 27 4.905 -10.995 1.515
227 HE ARG 27 HE ARG 27 3.518 -10.515 -0.904
228 HH11 ARG 27 1HH1 ARG 27 4.329 -13.054 1.335
229 HH12 ARG 27 2HH1 ARG 27 2.928 -14.004 0.968
230 HH21 ARG 27 1HH2 ARG 27 1.668 -11.756 -1.396
231 HH22 ARG 27 2HH2 ARG 27 1.415 -13.265 -0.586
232 H ALA 28 H ALA 28 8.293 -8.644 4.351
233 HA ALA 28 HA ALA 28 10.965 -9.431 3.525
234 HB1 ALA 28 1HB ALA 28 11.508 -7.763 4.884
235 HB2 ALA 28 2HB ALA 28 9.852 -7.652 5.483
236 HB3 ALA 28 3HB ALA 28 10.993 -8.760 6.246
237 H THR 29 H THR 29 9.291 -10.025 6.603
238 HA THR 29 HA THR 29 10.485 -12.692 6.680
239 HB THR 29 HB THR 29 10.575 -11.035 8.645
240 HG1 THR 29 HG1 THR 29 11.068 -12.823 9.648
241 HG21 THR 29 3HG2 THR 29 8.705 -10.908 10.100
242 HG22 THR 29 1HG2 THR 29 7.823 -12.133 9.189
243 HG23 THR 29 2HG2 THR 29 8.096 -10.538 8.487
244 H PHE 30 H PHE 30 7.435 -11.117 6.266
245 HA PHE 30 HA PHE 30 5.592 -12.975 7.075
246 HB2 PHE 30 2HB PHE 30 5.391 -11.512 4.442
247 HB3 PHE 30 3HB PHE 30 4.073 -12.038 5.483
248 HD1 PHE 30 HD2 PHE 30 4.185 -11.039 7.940
249 HD2 PHE 30 HD1 PHE 30 5.989 -9.302 4.498
250 HE1 PHE 30 HE2 PHE 30 4.188 -8.845 9.053
251 HE2 PHE 30 HE1 PHE 30 5.997 -7.105 5.607
252 HZ PHE 30 HZ PHE 30 5.094 -6.874 7.887
Start of MODEL 17
1 H1 TYR 1 H TYR 1 -0.857 -1.296 -2.819
2 HA TYR 1 HA TYR 1 1.691 -1.356 -3.470
3 HB2 TYR 1 2HB TYR 1 0.785 -3.140 -2.148
4 HB3 TYR 1 3HB TYR 1 -0.149 -3.752 -3.510
5 HD1 TYR 1 HD1 TYR 1 3.173 -3.563 -1.980
6 HD2 TYR 1 HD2 TYR 1 0.916 -5.049 -5.267
7 HE1 TYR 1 HE1 TYR 1 5.028 -5.068 -2.565
8 HE2 TYR 1 HE2 TYR 1 2.765 -6.559 -5.861
9 HH TYR 1 HH TYR 1 4.849 -7.633 -4.262
10 H ALA 2 H ALA 2 -0.871 -2.088 -5.730
11 HA ALA 2 HA ALA 2 1.095 -2.021 -7.906
12 HB1 ALA 2 1HB ALA 2 -1.141 -4.038 -7.810
13 HB2 ALA 2 2HB ALA 2 0.133 -3.904 -9.023
14 HB3 ALA 2 3HB ALA 2 0.531 -4.392 -7.376
15 H GLU 3 H GLU 3 0.428 0.053 -8.455
16 HA GLU 3 HA GLU 3 -1.879 0.197 -10.135
17 HB2 GLU 3 2HB GLU 3 -2.866 0.489 -7.847
18 HB3 GLU 3 3HB GLU 3 -1.894 1.943 -7.670
19 HG2 GLU 3 2HG GLU 3 -3.033 2.756 -9.802
20 HG3 GLU 3 3HG GLU 3 -4.178 1.440 -9.542
21 H LYS 4 H LYS 4 0.625 1.949 -8.366
22 HA LYS 4 HA LYS 4 1.383 3.324 -10.803
23 HB2 LYS 4 2HB LYS 4 0.263 4.733 -8.400
24 HB3 LYS 4 3HB LYS 4 1.445 5.532 -9.429
25 HG2 LYS 4 2HG LYS 4 -0.135 4.942 -11.362
26 HG3 LYS 4 3HG LYS 4 -1.333 4.641 -10.101
27 HD2 LYS 4 2HD LYS 4 -1.723 6.861 -10.620
28 HD3 LYS 4 3HD LYS 4 -0.630 6.993 -9.241
29 HE2 LYS 4 2HE LYS 4 0.190 8.516 -10.836
30 HE3 LYS 4 3HE LYS 4 1.255 7.115 -10.938
31 HZ1 LYS 4 3HZ LYS 4 0.547 8.008 -13.120
32 HZ2 LYS 4 1HZ LYS 4 -1.048 7.580 -12.751
33 HZ3 LYS 4 2HZ LYS 4 0.137 6.382 -12.896
34 H VAL 5 H VAL 5 2.480 1.359 -8.846
35 HA VAL 5 HA VAL 5 5.140 2.344 -8.778
36 HB VAL 5 HB VAL 5 4.192 3.588 -6.836
37 HG11 VAL 5 1HG1 VAL 5 4.023 0.933 -5.440
38 HG12 VAL 5 2HG1 VAL 5 3.434 2.504 -4.893
39 HG13 VAL 5 3HG1 VAL 5 2.627 1.673 -6.223
40 HG21 VAL 5 3HG2 VAL 5 6.613 2.586 -7.096
41 HG22 VAL 5 1HG2 VAL 5 6.113 3.381 -5.604
42 HG23 VAL 5 2HG2 VAL 5 6.121 1.621 -5.705
43 H ALA 6 H ALA 6 6.658 0.754 -8.141
44 HA ALA 6 HA ALA 6 7.474 -1.358 -7.912
45 HB1 ALA 6 1HB ALA 6 6.384 -2.872 -6.426
46 HB2 ALA 6 2HB ALA 6 6.164 -1.243 -5.786
47 HB3 ALA 6 3HB ALA 6 4.838 -2.046 -6.627
48 H GLN 7 H GLN 7 7.577 -1.860 -10.087
49 HA GLN 7 HA GLN 7 7.165 -3.061 -11.975
50 HB2 GLN 7 2HB GLN 7 6.745 -4.854 -10.211
51 HB3 GLN 7 3HB GLN 7 5.031 -4.529 -10.433
52 HG2 GLN 7 2HG GLN 7 5.077 -5.275 -12.668
53 HG3 GLN 7 3HG GLN 7 6.839 -5.277 -12.708
54 HE21 GLN 7 1HE2 GLN 7 4.121 -6.748 -10.976
55 HE22 GLN 7 2HE2 GLN 7 4.847 -8.306 -10.807
56 H GLU 8 H GLU 8 5.395 -0.724 -10.991
57 HA GLU 8 HA GLU 8 3.340 -1.061 -13.073
58 HB2 GLU 8 2HB GLU 8 3.039 0.137 -10.322
59 HB3 GLU 8 3HB GLU 8 1.897 0.455 -11.620
60 HG2 GLU 8 2HG GLU 8 2.449 -2.382 -11.199
61 HG3 GLU 8 3HG GLU 8 1.714 -1.576 -9.814
62 H LYS 9 H LYS 9 6.059 0.246 -12.920
63 HA LYS 9 HA LYS 9 5.219 2.805 -14.068
64 HB2 LYS 9 2HB LYS 9 6.974 2.416 -11.705
65 HB3 LYS 9 3HB LYS 9 7.480 3.628 -12.875
66 HG2 LYS 9 2HG LYS 9 5.088 4.538 -12.662
67 HG3 LYS 9 3HG LYS 9 5.000 3.553 -11.200
68 HD2 LYS 9 2HD LYS 9 6.449 4.876 -10.059
69 HD3 LYS 9 3HD LYS 9 7.392 5.268 -11.499
70 HE2 LYS 9 2HE LYS 9 4.615 6.319 -11.279
71 HE3 LYS 9 3HE LYS 9 5.880 7.072 -10.310
72 HZ1 LYS 9 3HZ LYS 9 5.505 7.077 -13.203
73 HZ2 LYS 9 1HZ LYS 9 7.099 7.021 -12.640
74 HZ3 LYS 9 2HZ LYS 9 6.087 8.297 -12.185
75 H GLY 10 H GLY 10 7.844 0.480 -13.553
76 HA2 GLY 10 2HA GLY 10 8.518 0.165 -16.215
77 HA3 GLY 10 3HA GLY 10 9.503 1.499 -15.633
78 H PHE 11 H PHE 11 10.409 -1.071 -16.578
79 HA PHE 11 HA PHE 11 11.065 -2.863 -14.549
80 HB2 PHE 11 2HB PHE 11 11.374 -3.080 -17.103
81 HB3 PHE 11 3HB PHE 11 12.919 -2.276 -16.845
82 HD1 PHE 11 HD1 PHE 11 14.316 -3.351 -14.820
83 HD2 PHE 11 HD2 PHE 11 11.397 -5.364 -17.174
84 HE1 PHE 11 HE1 PHE 11 15.344 -5.511 -14.242
85 HE2 PHE 11 HE2 PHE 11 12.419 -7.527 -16.599
86 HZ PHE 11 HZ PHE 11 14.395 -7.602 -15.131
87 H LEU 12 H LEU 12 13.219 -0.392 -15.963
88 HA LEU 12 HA LEU 12 15.265 -0.627 -14.091
89 HB2 LEU 12 2HB LEU 12 14.463 1.909 -15.501
90 HB3 LEU 12 3HB LEU 12 16.058 1.495 -14.876
91 HG LEU 12 HG LEU 12 14.867 -0.232 -16.991
92 HD11 LEU 12 1HD1 LEU 12 16.194 1.440 -18.554
93 HD12 LEU 12 2HD1 LEU 12 15.696 2.599 -17.322
94 HD13 LEU 12 3HD1 LEU 12 14.482 1.662 -18.193
95 HD21 LEU 12 3HD2 LEU 12 17.567 0.520 -15.979
96 HD22 LEU 12 1HD2 LEU 12 17.397 -0.006 -17.654
97 HD23 LEU 12 2HD2 LEU 12 16.898 -1.073 -16.341
98 H TYR 13 H TYR 13 12.351 1.360 -14.043
99 HA TYR 13 HA TYR 13 12.886 3.023 -11.909
100 HB2 TYR 13 2HB TYR 13 10.877 3.343 -13.160
101 HB3 TYR 13 3HB TYR 13 10.299 1.727 -12.770
102 HD1 TYR 13 HD2 TYR 13 9.391 1.234 -10.549
103 HD2 TYR 13 HD1 TYR 13 10.650 5.162 -11.592
104 HE1 TYR 13 HE2 TYR 13 8.174 2.133 -8.609
105 HE2 TYR 13 HE1 TYR 13 9.438 6.071 -9.654
106 HH TYR 13 HH TYR 13 8.446 5.499 -7.668
107 H ARG 14 H ARG 14 11.432 -0.225 -11.799
108 HA ARG 14 HA ARG 14 11.043 -0.450 -9.076
109 HB2 ARG 14 2HB ARG 14 10.695 -2.113 -11.180
110 HB3 ARG 14 3HB ARG 14 12.091 -2.867 -10.422
111 HG2 ARG 14 2HG ARG 14 10.683 -2.698 -8.250
112 HG3 ARG 14 3HG ARG 14 9.324 -2.513 -9.360
113 HD2 ARG 14 2HD ARG 14 10.499 -4.625 -10.491
114 HD3 ARG 14 3HD ARG 14 11.049 -4.864 -8.833
115 HE ARG 14 HE ARG 14 8.268 -4.362 -8.879
116 HH11 ARG 14 1HH1 ARG 14 10.614 -6.822 -9.628
117 HH12 ARG 14 2HH1 ARG 14 9.515 -8.135 -9.363
118 HH21 ARG 14 1HH2 ARG 14 6.812 -6.082 -8.526
119 HH22 ARG 14 2HH2 ARG 14 7.352 -7.713 -8.737
120 H LEU 15 H LEU 15 14.005 -0.764 -10.920
121 HA LEU 15 HA LEU 15 15.553 -1.839 -8.767
122 HB2 LEU 15 2HB LEU 15 16.659 -0.373 -11.141
123 HB3 LEU 15 3HB LEU 15 17.412 -1.655 -10.195
124 HG LEU 15 HG LEU 15 15.048 -2.033 -12.032
125 HD11 LEU 15 1HD1 LEU 15 16.707 -3.223 -13.461
126 HD12 LEU 15 2HD1 LEU 15 17.984 -2.564 -12.440
127 HD13 LEU 15 3HD1 LEU 15 16.949 -1.479 -13.368
128 HD21 LEU 15 3HD2 LEU 15 16.807 -4.021 -10.599
129 HD22 LEU 15 1HD2 LEU 15 15.512 -4.411 -11.730
130 HD23 LEU 15 2HD2 LEU 15 15.135 -3.635 -10.192
131 H THR 16 H THR 16 14.839 -0.244 -7.152
132 HA THR 16 HA THR 16 16.706 2.006 -7.081
133 HB THR 16 HB THR 16 14.888 3.478 -6.142
134 HG1 THR 16 HG1 THR 16 12.874 2.771 -6.110
135 HG21 THR 16 3HG2 THR 16 14.769 2.534 -9.000
136 HG22 THR 16 1HG2 THR 16 15.612 3.941 -8.352
137 HG23 THR 16 2HG2 THR 16 13.849 3.920 -8.414
138 H SER 17 H SER 17 16.249 3.165 -4.783
139 HA SER 17 HA SER 17 16.857 1.114 -2.847
140 HB2 SER 17 2HB SER 17 17.869 3.536 -3.100
141 HB3 SER 17 3HB SER 17 16.496 3.988 -2.091
142 HG SER 17 HG SER 17 17.868 3.439 -0.568
143 H ARG 18 H ARG 18 14.207 3.305 -3.553
144 HA ARG 18 HA ARG 18 12.764 2.919 -1.154
145 HB2 ARG 18 2HB ARG 18 12.163 4.004 -3.858
146 HB3 ARG 18 3HB ARG 18 10.797 3.541 -2.852
147 HG2 ARG 18 2HG ARG 18 11.166 5.841 -2.479
148 HG3 ARG 18 3HG ARG 18 11.768 4.999 -1.049
149 HD2 ARG 18 2HD ARG 18 14.038 5.205 -1.823
150 HD3 ARG 18 3HD ARG 18 13.493 5.888 -3.355
151 HE ARG 18 HE ARG 18 12.523 7.518 -1.319
152 HH11 ARG 18 1HH1 ARG 18 15.590 6.547 -2.650
153 HH12 ARG 18 2HH1 ARG 18 16.389 8.025 -2.228
154 HH21 ARG 18 1HH2 ARG 18 13.564 9.469 -0.758
155 HH22 ARG 18 2HH2 ARG 18 15.236 9.686 -1.151
156 H TYR 19 H TYR 19 12.643 1.305 -4.305
157 HA TYR 19 HA TYR 19 10.439 -0.314 -3.945
158 HB2 TYR 19 2HB TYR 19 11.501 -0.265 -6.080
159 HB3 TYR 19 3HB TYR 19 13.027 -0.830 -5.411
160 HD1 TYR 19 HD2 TYR 19 9.489 -2.043 -5.243
161 HD2 TYR 19 HD1 TYR 19 13.548 -2.947 -6.146
162 HE1 TYR 19 HE2 TYR 19 8.852 -4.361 -5.760
163 HE2 TYR 19 HE1 TYR 19 12.922 -5.268 -6.666
164 HH TYR 19 HH TYR 19 9.858 -6.563 -5.887
165 H ARG 20 H ARG 20 13.797 -0.942 -2.977
166 HA ARG 20 HA ARG 20 13.373 -3.514 -1.929
167 HB2 ARG 20 2HB ARG 20 15.422 -1.553 -0.906
168 HB3 ARG 20 3HB ARG 20 15.520 -3.308 -0.921
169 HG2 ARG 20 2HG ARG 20 15.288 -2.911 -3.537
170 HG3 ARG 20 3HG ARG 20 16.004 -1.360 -3.094
171 HD2 ARG 20 2HD ARG 20 17.122 -4.119 -2.669
172 HD3 ARG 20 3HD ARG 20 17.807 -2.799 -3.617
173 HE ARG 20 HE ARG 20 17.642 -1.860 -1.035
174 HH11 ARG 20 1HH1 ARG 20 19.206 -4.506 -2.668
175 HH12 ARG 20 2HH1 ARG 20 20.543 -4.567 -1.567
176 HH21 ARG 20 1HH2 ARG 20 19.397 -1.930 0.422
177 HH22 ARG 20 2HH2 ARG 20 20.650 -3.102 0.190
178 H HIS 21 H HIS 21 12.731 -0.356 -0.653
179 HA HIS 21 HA HIS 21 12.458 -1.242 2.079
180 HB2 HIS 21 2HB HIS 21 12.150 1.338 0.621
181 HB3 HIS 21 3HB HIS 21 11.296 1.157 2.151
182 HD1 HIS 21 HD1 HIS 21 13.281 -0.204 3.915
183 HD2 HIS 21 HD2 HIS 21 14.379 2.745 1.202
184 HE1 HIS 21 HE1 HIS 21 15.458 0.720 4.770
185 H TYR 22 H TYR 22 10.200 0.015 -0.380
186 HA TYR 22 HA TYR 22 7.836 -0.345 0.996
187 HB2 TYR 22 2HB TYR 22 8.412 -0.586 -1.958
188 HB3 TYR 22 3HB TYR 22 6.784 -0.598 -1.290
189 HD1 TYR 22 HD2 TYR 22 6.971 1.467 0.795
190 HD2 TYR 22 HD1 TYR 22 8.570 1.408 -3.147
191 HE1 TYR 22 HE2 TYR 22 6.931 3.926 0.749
192 HE2 TYR 22 HE1 TYR 22 8.536 3.867 -3.204
193 HH TYR 22 HH TYR 22 7.472 5.719 -2.140
194 H ALA 23 H ALA 23 9.337 -2.647 -1.276
195 HA ALA 23 HA ALA 23 7.512 -4.730 -0.915
196 HB1 ALA 23 1HB ALA 23 9.807 -4.324 -2.412
197 HB2 ALA 23 2HB ALA 23 10.206 -5.693 -1.373
198 HB3 ALA 23 3HB ALA 23 8.787 -5.764 -2.419
199 H ALA 24 H ALA 24 10.224 -3.707 1.024
200 HA ALA 24 HA ALA 24 10.350 -6.110 2.594
201 HB1 ALA 24 1HB ALA 24 11.687 -4.390 4.116
202 HB2 ALA 24 2HB ALA 24 12.388 -5.106 2.663
203 HB3 ALA 24 3HB ALA 24 11.713 -3.478 2.606
204 H PHE 25 H PHE 25 8.104 -3.713 2.427
205 HA PHE 25 HA PHE 25 7.256 -4.192 5.201
206 HB2 PHE 25 2HB PHE 25 7.463 -1.576 3.743
207 HB3 PHE 25 3HB PHE 25 6.274 -1.787 5.024
208 HD1 PHE 25 HD1 PHE 25 9.904 -2.399 4.411
209 HD2 PHE 25 HD2 PHE 25 6.882 -1.170 7.146
210 HE1 PHE 25 HE1 PHE 25 11.632 -1.895 6.088
211 HE2 PHE 25 HE2 PHE 25 8.606 -0.663 8.827
212 HZ PHE 25 HZ PHE 25 10.984 -1.024 8.299
213 H GLU 26 H GLU 26 6.573 -4.724 2.088
214 HA GLU 26 HA GLU 26 3.665 -4.652 2.557
215 HB2 GLU 26 2HB GLU 26 5.248 -3.652 0.285
216 HB3 GLU 26 3HB GLU 26 3.857 -4.628 -0.165
217 HG2 GLU 26 2HG GLU 26 3.672 -2.300 1.721
218 HG3 GLU 26 3HG GLU 26 3.483 -2.142 -0.024
219 H ARG 27 H ARG 27 6.392 -6.309 1.079
220 HA ARG 27 HA ARG 27 4.804 -8.781 1.081
221 HB2 ARG 27 2HB ARG 27 5.979 -9.449 -1.029
222 HB3 ARG 27 3HB ARG 27 4.847 -8.117 -1.217
223 HG2 ARG 27 2HG ARG 27 6.589 -7.279 -2.400
224 HG3 ARG 27 3HG ARG 27 7.036 -6.687 -0.799
225 HD2 ARG 27 2HD ARG 27 8.943 -7.701 -1.950
226 HD3 ARG 27 3HD ARG 27 8.517 -8.592 -0.489
227 HE ARG 27 HE ARG 27 8.028 -10.408 -1.788
228 HH11 ARG 27 1HH1 ARG 27 8.147 -7.573 -3.804
229 HH12 ARG 27 2HH1 ARG 27 8.007 -8.460 -5.285
230 HH21 ARG 27 1HH2 ARG 27 7.843 -11.588 -3.731
231 HH22 ARG 27 2HH2 ARG 27 7.833 -10.744 -5.243
232 H ALA 28 H ALA 28 6.979 -7.483 2.772
233 HA ALA 28 HA ALA 28 9.388 -8.882 2.485
234 HB1 ALA 28 1HB ALA 28 9.075 -8.445 5.219
235 HB2 ALA 28 2HB ALA 28 9.879 -7.390 4.056
236 HB3 ALA 28 3HB ALA 28 8.175 -7.143 4.439
237 H THR 29 H THR 29 7.166 -9.457 5.196
238 HA THR 29 HA THR 29 7.875 -12.303 5.074
239 HB THR 29 HB THR 29 8.202 -10.942 7.215
240 HG1 THR 29 HG1 THR 29 7.359 -12.751 8.477
241 HG21 THR 29 3HG2 THR 29 5.239 -11.384 7.531
242 HG22 THR 29 1HG2 THR 29 5.923 -9.847 7.005
243 HG23 THR 29 2HG2 THR 29 6.328 -10.494 8.595
244 H PHE 30 H PHE 30 5.207 -10.088 4.833
245 HA PHE 30 HA PHE 30 3.336 -12.348 4.611
246 HB2 PHE 30 2HB PHE 30 1.617 -10.382 4.782
247 HB3 PHE 30 3HB PHE 30 2.417 -10.972 6.235
248 HD1 PHE 30 HD1 PHE 30 3.417 -8.611 3.523
249 HD2 PHE 30 HD2 PHE 30 2.827 -9.250 7.689
250 HE1 PHE 30 HE1 PHE 30 4.240 -6.338 3.985
251 HE2 PHE 30 HE2 PHE 30 3.647 -6.979 8.158
252 HZ PHE 30 HZ PHE 30 4.355 -5.519 6.304
Start of MODEL 18
1 H1 TYR 1 H TYR 1 1.449 -5.593 -2.164
2 HA TYR 1 HA TYR 1 0.060 -3.915 -3.215
3 HB2 TYR 1 2HB TYR 1 1.105 -1.805 -2.337
4 HB3 TYR 1 3HB TYR 1 0.984 -3.106 -1.158
5 HD1 TYR 1 HD1 TYR 1 2.997 -4.301 -0.415
6 HD2 TYR 1 HD2 TYR 1 3.244 -1.010 -3.101
7 HE1 TYR 1 HE1 TYR 1 5.407 -4.118 0.039
8 HE2 TYR 1 HE2 TYR 1 5.655 -0.819 -2.655
9 HH TYR 1 HH TYR 1 7.485 -2.122 -1.839
10 H ALA 2 H ALA 2 1.677 -5.046 -5.305
11 HA ALA 2 HA ALA 2 2.461 -2.628 -6.794
12 HB1 ALA 2 1HB ALA 2 4.152 -3.761 -7.786
13 HB2 ALA 2 2HB ALA 2 4.039 -4.732 -6.318
14 HB3 ALA 2 3HB ALA 2 3.267 -5.287 -7.803
15 H GLU 3 H GLU 3 0.562 -2.028 -7.743
16 HA GLU 3 HA GLU 3 -0.665 -3.998 -9.559
17 HB2 GLU 3 2HB GLU 3 -2.210 -3.556 -7.758
18 HB3 GLU 3 3HB GLU 3 -2.011 -1.821 -7.955
19 HG2 GLU 3 2HG GLU 3 -3.092 -1.897 -10.108
20 HG3 GLU 3 3HG GLU 3 -3.200 -3.655 -10.023
21 H LYS 4 H LYS 4 -0.647 -0.471 -9.006
22 HA LYS 4 HA LYS 4 -0.091 -0.121 -11.877
23 HB2 LYS 4 2HB LYS 4 -2.478 0.469 -10.917
24 HB3 LYS 4 3HB LYS 4 -1.662 1.930 -10.374
25 HG2 LYS 4 2HG LYS 4 -0.853 2.075 -12.839
26 HG3 LYS 4 3HG LYS 4 -2.208 0.988 -13.151
27 HD2 LYS 4 2HD LYS 4 -2.698 3.410 -11.495
28 HD3 LYS 4 3HD LYS 4 -2.489 3.618 -13.235
29 HE2 LYS 4 2HE LYS 4 -4.746 3.288 -13.156
30 HE3 LYS 4 3HE LYS 4 -4.210 1.617 -13.324
31 HZ1 LYS 4 3HZ LYS 4 -4.882 1.108 -11.259
32 HZ2 LYS 4 1HZ LYS 4 -5.872 2.471 -11.417
33 HZ3 LYS 4 2HZ LYS 4 -4.396 2.588 -10.601
34 H VAL 5 H VAL 5 1.791 -0.226 -9.694
35 HA VAL 5 HA VAL 5 2.764 2.558 -9.709
36 HB VAL 5 HB VAL 5 2.213 1.721 -7.447
37 HG11 VAL 5 1HG1 VAL 5 3.145 -0.669 -8.263
38 HG12 VAL 5 2HG1 VAL 5 4.553 -0.073 -7.382
39 HG13 VAL 5 3HG1 VAL 5 2.993 -0.207 -6.568
40 HG21 VAL 5 3HG2 VAL 5 4.142 3.331 -8.030
41 HG22 VAL 5 1HG2 VAL 5 4.093 2.625 -6.414
42 HG23 VAL 5 2HG2 VAL 5 5.194 1.974 -7.628
43 H ALA 6 H ALA 6 3.527 -0.799 -10.266
44 HA ALA 6 HA ALA 6 6.322 -0.206 -10.838
45 HB1 ALA 6 1HB ALA 6 4.734 -2.637 -10.354
46 HB2 ALA 6 2HB ALA 6 6.046 -2.802 -11.521
47 HB3 ALA 6 3HB ALA 6 6.388 -2.245 -9.883
48 H GLN 7 H GLN 7 3.341 -1.006 -12.510
49 HA GLN 7 HA GLN 7 4.486 -1.503 -15.052
50 HB2 GLN 7 2HB GLN 7 2.260 -1.410 -15.908
51 HB3 GLN 7 3HB GLN 7 2.174 -2.164 -14.321
52 HG2 GLN 7 2HG GLN 7 1.408 -0.079 -13.346
53 HG3 GLN 7 3HG GLN 7 1.547 0.720 -14.912
54 HE21 GLN 7 1HE2 GLN 7 -0.464 1.165 -15.499
55 HE22 GLN 7 2HE2 GLN 7 -1.768 0.034 -15.559
56 H GLU 8 H GLU 8 3.680 1.395 -13.330
57 HA GLU 8 HA GLU 8 3.343 3.239 -15.356
58 HB2 GLU 8 2HB GLU 8 4.488 3.396 -12.599
59 HB3 GLU 8 3HB GLU 8 4.631 4.793 -13.657
60 HG2 GLU 8 2HG GLU 8 2.004 3.450 -13.112
61 HG3 GLU 8 3HG GLU 8 2.645 4.737 -12.092
62 H LYS 9 H LYS 9 6.257 1.658 -14.279
63 HA LYS 9 HA LYS 9 7.748 3.077 -16.386
64 HB2 LYS 9 2HB LYS 9 8.539 2.433 -13.571
65 HB3 LYS 9 3HB LYS 9 9.775 2.504 -14.820
66 HG2 LYS 9 2HG LYS 9 9.847 4.652 -14.086
67 HG3 LYS 9 3HG LYS 9 8.622 4.816 -15.347
68 HD2 LYS 9 2HD LYS 9 6.856 4.708 -13.727
69 HD3 LYS 9 3HD LYS 9 7.997 4.315 -12.439
70 HE2 LYS 9 2HE LYS 9 9.089 6.532 -12.861
71 HE3 LYS 9 3HE LYS 9 7.757 6.909 -13.953
72 HZ1 LYS 9 3HZ LYS 9 7.669 7.631 -11.470
73 HZ2 LYS 9 1HZ LYS 9 7.150 6.041 -11.215
74 HZ3 LYS 9 2HZ LYS 9 6.272 7.064 -12.237
75 H GLY 10 H GLY 10 8.497 0.330 -14.248
76 HA2 GLY 10 2HA GLY 10 8.075 -1.759 -16.001
77 HA3 GLY 10 3HA GLY 10 9.681 -1.153 -16.378
78 H PHE 11 H PHE 11 11.063 -2.602 -15.577
79 HA PHE 11 HA PHE 11 10.567 -3.716 -12.912
80 HB2 PHE 11 2HB PHE 11 10.991 -5.330 -14.714
81 HB3 PHE 11 3HB PHE 11 12.542 -4.564 -15.041
82 HD1 PHE 11 HD1 PHE 11 10.664 -6.129 -12.226
83 HD2 PHE 11 HD2 PHE 11 14.430 -5.469 -14.096
84 HE1 PHE 11 HE1 PHE 11 11.737 -7.614 -10.582
85 HE2 PHE 11 HE2 PHE 11 15.508 -6.953 -12.457
86 HZ PHE 11 HZ PHE 11 14.162 -8.028 -10.697
87 H LEU 12 H LEU 12 13.251 -2.350 -14.816
88 HA LEU 12 HA LEU 12 15.143 -2.146 -12.818
89 HB2 LEU 12 2HB LEU 12 14.697 -0.095 -14.977
90 HB3 LEU 12 3HB LEU 12 16.206 -0.451 -14.140
91 HG LEU 12 HG LEU 12 14.780 -2.325 -16.028
92 HD11 LEU 12 1HD1 LEU 12 17.391 -0.955 -16.549
93 HD12 LEU 12 2HD1 LEU 12 15.861 -0.181 -16.958
94 HD13 LEU 12 3HD1 LEU 12 16.289 -1.728 -17.689
95 HD21 LEU 12 3HD2 LEU 12 17.241 -3.299 -15.881
96 HD22 LEU 12 1HD2 LEU 12 15.978 -3.776 -14.746
97 HD23 LEU 12 2HD2 LEU 12 17.168 -2.561 -14.280
98 H TYR 13 H TYR 13 12.457 0.011 -13.551
99 HA TYR 13 HA TYR 13 13.129 2.178 -11.948
100 HB2 TYR 13 2HB TYR 13 11.272 2.354 -13.450
101 HB3 TYR 13 3HB TYR 13 10.430 1.024 -12.663
102 HD1 TYR 13 HD1 TYR 13 11.447 4.552 -12.324
103 HD2 TYR 13 HD2 TYR 13 9.129 1.381 -10.689
104 HE1 TYR 13 HE1 TYR 13 10.284 6.160 -10.870
105 HE2 TYR 13 HE2 TYR 13 7.959 2.980 -9.231
106 HH TYR 13 HH TYR 13 8.222 5.153 -8.298
107 H ARG 14 H ARG 14 11.215 -0.700 -11.096
108 HA ARG 14 HA ARG 14 10.627 -0.072 -8.468
109 HB2 ARG 14 2HB ARG 14 11.243 -2.784 -9.654
110 HB3 ARG 14 3HB ARG 14 10.480 -2.522 -8.091
111 HG2 ARG 14 2HG ARG 14 8.549 -1.568 -9.106
112 HG3 ARG 14 3HG ARG 14 9.332 -1.530 -10.687
113 HD2 ARG 14 2HD ARG 14 8.105 -3.432 -10.936
114 HD3 ARG 14 3HD ARG 14 9.559 -4.128 -10.221
115 HE ARG 14 HE ARG 14 7.576 -3.357 -8.289
116 HH11 ARG 14 1HH1 ARG 14 8.659 -5.878 -10.432
117 HH12 ARG 14 2HH1 ARG 14 7.900 -7.149 -9.532
118 HH21 ARG 14 1HH2 ARG 14 6.573 -5.021 -7.095
119 HH22 ARG 14 2HH2 ARG 14 6.713 -6.660 -7.634
120 H LEU 15 H LEU 15 13.624 -1.177 -9.864
121 HA LEU 15 HA LEU 15 14.885 -1.943 -7.435
122 HB2 LEU 15 2HB LEU 15 16.231 -0.999 -9.956
123 HB3 LEU 15 3HB LEU 15 16.913 -2.026 -8.696
124 HG LEU 15 HG LEU 15 14.747 -2.779 -10.656
125 HD11 LEU 15 1HD1 LEU 15 16.438 -4.408 -11.429
126 HD12 LEU 15 2HD1 LEU 15 17.614 -3.656 -10.350
127 HD13 LEU 15 3HD1 LEU 15 16.923 -2.731 -11.683
128 HD21 LEU 15 3HD2 LEU 15 14.801 -4.976 -9.657
129 HD22 LEU 15 1HD2 LEU 15 14.404 -3.779 -8.423
130 HD23 LEU 15 2HD2 LEU 15 16.030 -4.456 -8.503
131 H THR 16 H THR 16 14.427 -0.208 -6.006
132 HA THR 16 HA THR 16 16.382 1.941 -6.188
133 HB THR 16 HB THR 16 14.659 3.653 -5.554
134 HG1 THR 16 HG1 THR 16 12.722 1.904 -6.632
135 HG21 THR 16 3HG2 THR 16 14.439 2.309 -8.246
136 HG22 THR 16 1HG2 THR 16 15.491 3.653 -7.803
137 HG23 THR 16 2HG2 THR 16 13.744 3.886 -7.874
138 H SER 17 H SER 17 16.617 3.123 -4.150
139 HA SER 17 HA SER 17 16.799 1.422 -1.944
140 HB2 SER 17 2HB SER 17 17.939 3.739 -2.464
141 HB3 SER 17 3HB SER 17 16.579 4.383 -1.545
142 HG SER 17 HG SER 17 17.969 3.970 0.028
143 H ARG 18 H ARG 18 14.463 4.034 -2.581
144 HA ARG 18 HA ARG 18 12.945 3.794 -0.272
145 HB2 ARG 18 2HB ARG 18 12.382 4.767 -3.039
146 HB3 ARG 18 3HB ARG 18 11.034 4.569 -1.926
147 HG2 ARG 18 2HG ARG 18 11.759 6.832 -1.815
148 HG3 ARG 18 3HG ARG 18 12.240 6.037 -0.315
149 HD2 ARG 18 2HD ARG 18 14.489 5.968 -0.934
150 HD3 ARG 18 3HD ARG 18 14.122 6.222 -2.640
151 HE ARG 18 HE ARG 18 13.280 8.472 -1.202
152 HH11 ARG 18 1HH1 ARG 18 16.219 6.844 -2.116
153 HH12 ARG 18 2HH1 ARG 18 17.174 8.289 -2.115
154 HH21 ARG 18 1HH2 ARG 18 14.528 10.382 -1.198
155 HH22 ARG 18 2HH2 ARG 18 16.211 10.301 -1.592
156 H TYR 19 H TYR 19 12.352 2.255 -3.433
157 HA TYR 19 HA TYR 19 10.107 0.785 -2.761
158 HB2 TYR 19 2HB TYR 19 10.799 0.910 -5.051
159 HB3 TYR 19 3HB TYR 19 12.346 0.153 -4.688
160 HD1 TYR 19 HD1 TYR 19 8.734 -0.434 -5.088
161 HD2 TYR 19 HD2 TYR 19 12.545 -2.231 -4.490
162 HE1 TYR 19 HE1 TYR 19 7.771 -2.637 -5.610
163 HE2 TYR 19 HE2 TYR 19 11.593 -4.438 -5.011
164 HH TYR 19 HH TYR 19 9.258 -5.506 -4.905
165 H ARG 20 H ARG 20 13.508 -0.268 -2.615
166 HA ARG 20 HA ARG 20 13.050 -2.812 -1.565
167 HB2 ARG 20 2HB ARG 20 15.404 -0.942 -1.350
168 HB3 ARG 20 3HB ARG 20 15.424 -2.558 -0.656
169 HG2 ARG 20 2HG ARG 20 14.674 -3.219 -3.108
170 HG3 ARG 20 3HG ARG 20 15.499 -1.707 -3.492
171 HD2 ARG 20 2HD ARG 20 17.024 -3.598 -3.663
172 HD3 ARG 20 3HD ARG 20 17.509 -2.514 -2.360
173 HE ARG 20 HE ARG 20 17.170 -4.219 -0.880
174 HH11 ARG 20 1HH1 ARG 20 15.511 -4.963 -3.848
175 HH12 ARG 20 2HH1 ARG 20 15.070 -6.563 -3.354
176 HH21 ARG 20 1HH2 ARG 20 16.596 -6.325 -0.217
177 HH22 ARG 20 2HH2 ARG 20 15.687 -7.337 -1.288
178 H HIS 21 H HIS 21 13.341 0.312 0.024
179 HA HIS 21 HA HIS 21 13.430 -0.722 2.678
180 HB2 HIS 21 2HB HIS 21 14.162 1.603 1.845
181 HB3 HIS 21 3HB HIS 21 12.457 2.032 1.946
182 HD1 HIS 21 HD1 HIS 21 14.945 0.351 4.301
183 HD2 HIS 21 HD2 HIS 21 11.938 3.218 4.304
184 HE1 HIS 21 HE1 HIS 21 14.826 1.198 6.666
185 H TYR 22 H TYR 22 10.893 0.010 0.433
186 HA TYR 22 HA TYR 22 8.812 0.030 2.438
187 HB2 TYR 22 2HB TYR 22 8.833 0.198 -0.565
188 HB3 TYR 22 3HB TYR 22 7.329 -0.013 0.325
189 HD1 TYR 22 HD2 TYR 22 7.563 1.701 2.612
190 HD2 TYR 22 HD1 TYR 22 8.947 2.363 -1.357
191 HE1 TYR 22 HE2 TYR 22 7.437 4.130 2.979
192 HE2 TYR 22 HE1 TYR 22 8.826 4.794 -1.000
193 HH TYR 22 HH TYR 22 7.207 6.295 0.905
194 H ALA 23 H ALA 23 9.931 -2.152 -0.122
195 HA ALA 23 HA ALA 23 7.980 -4.162 0.396
196 HB1 ALA 23 1HB ALA 23 10.626 -4.665 -0.928
197 HB2 ALA 23 2HB ALA 23 9.074 -5.453 -1.219
198 HB3 ALA 23 3HB ALA 23 9.331 -3.789 -1.745
199 H ALA 24 H ALA 24 11.061 -3.368 1.761
200 HA ALA 24 HA ALA 24 11.300 -5.955 3.090
201 HB1 ALA 24 1HB ALA 24 13.313 -4.950 2.128
202 HB2 ALA 24 2HB ALA 24 13.123 -3.554 3.190
203 HB3 ALA 24 3HB ALA 24 13.458 -5.144 3.875
204 H PHE 25 H PHE 25 9.259 -3.712 3.653
205 HA PHE 25 HA PHE 25 9.541 -3.855 6.564
206 HB2 PHE 25 2HB PHE 25 9.380 -1.376 4.912
207 HB3 PHE 25 3HB PHE 25 8.538 -1.399 6.458
208 HD1 PHE 25 HD2 PHE 25 11.872 -2.175 4.986
209 HD2 PHE 25 HD1 PHE 25 9.679 -0.777 8.355
210 HE1 PHE 25 HE2 PHE 25 13.982 -1.649 6.137
211 HE2 PHE 25 HE1 PHE 25 11.786 -0.247 9.511
212 HZ PHE 25 HZ PHE 25 13.941 -0.685 8.402
213 H GLU 26 H GLU 26 7.401 -2.664 3.971
214 HA GLU 26 HA GLU 26 4.997 -2.769 5.316
215 HB2 GLU 26 2HB GLU 26 5.773 -3.040 2.449
216 HB3 GLU 26 3HB GLU 26 4.118 -3.422 2.900
217 HG2 GLU 26 2HG GLU 26 5.117 -0.897 3.991
218 HG3 GLU 26 3HG GLU 26 5.024 -0.954 2.232
219 H ARG 27 H ARG 27 6.532 -5.365 3.430
220 HA ARG 27 HA ARG 27 4.903 -7.297 4.937
221 HB2 ARG 27 2HB ARG 27 5.274 -7.035 1.993
222 HB3 ARG 27 3HB ARG 27 5.197 -8.658 2.666
223 HG2 ARG 27 2HG ARG 27 3.006 -8.419 3.345
224 HG3 ARG 27 3HG ARG 27 3.102 -6.657 3.380
225 HD2 ARG 27 2HD ARG 27 1.842 -7.040 1.480
226 HD3 ARG 27 3HD ARG 27 3.471 -6.881 0.822
227 HE ARG 27 HE ARG 27 3.085 -9.572 1.335
228 HH11 ARG 27 1HH1 ARG 27 1.661 -7.110 -0.673
229 HH12 ARG 27 2HH1 ARG 27 1.178 -8.218 -1.914
230 HH21 ARG 27 1HH2 ARG 27 2.454 -11.041 -0.292
231 HH22 ARG 27 2HH2 ARG 27 1.628 -10.454 -1.696
232 H ALA 28 H ALA 28 7.867 -6.662 3.138
233 HA ALA 28 HA ALA 28 9.962 -7.540 3.278
234 HB1 ALA 28 1HB ALA 28 10.310 -8.873 5.561
235 HB2 ALA 28 2HB ALA 28 10.280 -7.111 5.483
236 HB3 ALA 28 3HB ALA 28 8.837 -7.997 5.978
237 H THR 29 H THR 29 7.530 -9.180 2.379
238 HA THR 29 HA THR 29 8.465 -11.900 2.819
239 HB THR 29 HB THR 29 6.185 -11.111 1.018
240 HG1 THR 29 HG1 THR 29 5.768 -11.773 3.722
241 HG21 THR 29 3HG2 THR 29 7.274 -13.584 2.112
242 HG22 THR 29 1HG2 THR 29 6.173 -13.337 0.758
243 HG23 THR 29 2HG2 THR 29 5.544 -13.407 2.404
244 H PHE 30 H PHE 30 9.693 -9.637 1.023
245 HA PHE 30 HA PHE 30 10.113 -11.380 -1.316
246 HB2 PHE 30 2HB PHE 30 10.488 -8.421 -1.523
247 HB3 PHE 30 3HB PHE 30 10.051 -9.583 -2.771
248 HD1 PHE 30 HD1 PHE 30 8.808 -7.545 0.010
249 HD2 PHE 30 HD2 PHE 30 7.767 -10.208 -3.143
250 HE1 PHE 30 HE1 PHE 30 6.441 -6.926 0.273
251 HE2 PHE 30 HE2 PHE 30 5.399 -9.594 -2.885
252 HZ PHE 30 HZ PHE 30 4.733 -7.950 -1.176
Start of MODEL 19
1 H1 TYR 1 H TYR 1 -0.361 -5.630 -3.287
2 HA TYR 1 HA TYR 1 1.143 -3.588 -2.028
3 HB2 TYR 1 2HB TYR 1 2.062 -5.810 -2.642
4 HB3 TYR 1 3HB TYR 1 1.955 -5.361 -4.341
5 HD1 TYR 1 HD2 TYR 1 3.467 -4.190 -1.135
6 HD2 TYR 1 HD1 TYR 1 3.799 -4.408 -5.371
7 HE1 TYR 1 HE2 TYR 1 5.709 -3.186 -1.005
8 HE2 TYR 1 HE1 TYR 1 6.042 -3.406 -5.253
9 HH TYR 1 HH TYR 1 7.280 -1.860 -3.559
10 H ALA 2 H ALA 2 2.382 -1.907 -3.030
11 HA ALA 2 HA ALA 2 0.929 -0.215 -4.687
12 HB1 ALA 2 1HB ALA 2 2.731 1.224 -4.611
13 HB2 ALA 2 2HB ALA 2 2.996 0.236 -3.174
14 HB3 ALA 2 3HB ALA 2 3.913 -0.084 -4.646
15 H GLU 3 H GLU 3 0.224 -0.920 -6.629
16 HA GLU 3 HA GLU 3 2.049 -2.304 -8.429
17 HB2 GLU 3 2HB GLU 3 -0.383 -2.982 -8.055
18 HB3 GLU 3 3HB GLU 3 -0.817 -1.557 -8.989
19 HG2 GLU 3 2HG GLU 3 0.156 -2.403 -10.944
20 HG3 GLU 3 3HG GLU 3 1.045 -3.644 -10.064
21 H LYS 4 H LYS 4 0.626 0.819 -7.962
22 HA LYS 4 HA LYS 4 0.889 1.857 -10.562
23 HB2 LYS 4 2HB LYS 4 0.870 4.081 -9.433
24 HB3 LYS 4 3HB LYS 4 -0.445 3.023 -8.937
25 HG2 LYS 4 2HG LYS 4 0.570 2.577 -6.853
26 HG3 LYS 4 3HG LYS 4 2.102 3.288 -7.366
27 HD2 LYS 4 2HD LYS 4 1.168 5.483 -7.370
28 HD3 LYS 4 3HD LYS 4 -0.465 4.852 -7.146
29 HE2 LYS 4 2HE LYS 4 -0.046 4.247 -4.923
30 HE3 LYS 4 3HE LYS 4 1.702 4.342 -5.133
31 HZ1 LYS 4 3HZ LYS 4 -0.243 6.535 -4.825
32 HZ2 LYS 4 1HZ LYS 4 1.241 6.814 -5.588
33 HZ3 LYS 4 2HZ LYS 4 1.203 6.267 -3.988
34 H VAL 5 H VAL 5 3.204 1.269 -8.054
35 HA VAL 5 HA VAL 5 5.284 2.547 -9.708
36 HB VAL 5 HB VAL 5 6.599 2.854 -7.627
37 HG11 VAL 5 1HG1 VAL 5 4.532 4.396 -8.610
38 HG12 VAL 5 2HG1 VAL 5 4.207 4.322 -6.877
39 HG13 VAL 5 3HG1 VAL 5 5.763 4.915 -7.459
40 HG21 VAL 5 3HG2 VAL 5 5.088 1.028 -6.468
41 HG22 VAL 5 1HG2 VAL 5 5.845 2.319 -5.535
42 HG23 VAL 5 2HG2 VAL 5 4.147 2.442 -5.993
43 H ALA 6 H ALA 6 4.542 -0.030 -10.262
44 HA ALA 6 HA ALA 6 6.898 -1.531 -9.345
45 HB1 ALA 6 1HB ALA 6 4.113 -2.209 -8.935
46 HB2 ALA 6 2HB ALA 6 4.977 -3.473 -9.813
47 HB3 ALA 6 3HB ALA 6 5.565 -2.931 -8.241
48 H GLN 7 H GLN 7 4.189 -1.816 -11.656
49 HA GLN 7 HA GLN 7 6.165 -2.529 -13.721
50 HB2 GLN 7 2HB GLN 7 4.355 -3.791 -14.829
51 HB3 GLN 7 3HB GLN 7 4.711 -4.406 -13.221
52 HG2 GLN 7 2HG GLN 7 2.771 -3.137 -12.356
53 HG3 GLN 7 3HG GLN 7 2.389 -2.665 -14.011
54 HE21 GLN 7 1HE2 GLN 7 0.342 -3.707 -13.585
55 HE22 GLN 7 2HE2 GLN 7 0.204 -5.419 -13.773
56 H GLU 8 H GLU 8 3.507 -0.491 -12.839
57 HA GLU 8 HA GLU 8 2.619 0.453 -15.276
58 HB2 GLU 8 2HB GLU 8 2.843 1.660 -12.553
59 HB3 GLU 8 3HB GLU 8 2.406 2.701 -13.901
60 HG2 GLU 8 2HG GLU 8 0.942 0.220 -13.032
61 HG3 GLU 8 3HG GLU 8 0.435 1.884 -12.749
62 H LYS 9 H LYS 9 5.606 1.122 -13.610
63 HA LYS 9 HA LYS 9 6.311 3.241 -15.489
64 HB2 LYS 9 2HB LYS 9 6.807 3.102 -12.883
65 HB3 LYS 9 3HB LYS 9 8.227 2.227 -13.440
66 HG2 LYS 9 2HG LYS 9 9.013 4.381 -13.333
67 HG3 LYS 9 3HG LYS 9 8.529 4.265 -15.027
68 HD2 LYS 9 2HD LYS 9 7.497 6.225 -14.527
69 HD3 LYS 9 3HD LYS 9 6.222 5.127 -13.992
70 HE2 LYS 9 2HE LYS 9 6.735 5.424 -11.748
71 HE3 LYS 9 3HE LYS 9 8.370 5.986 -12.094
72 HZ1 LYS 9 3HZ LYS 9 6.160 7.545 -11.595
73 HZ2 LYS 9 1HZ LYS 9 6.430 7.705 -13.258
74 HZ3 LYS 9 2HZ LYS 9 7.664 8.073 -12.161
75 H GLY 10 H GLY 10 7.989 0.345 -14.235
76 HA2 GLY 10 2HA GLY 10 8.457 -0.855 -16.716
77 HA3 GLY 10 3HA GLY 10 9.819 0.203 -16.380
78 H PHE 11 H PHE 11 11.150 -1.692 -16.353
79 HA PHE 11 HA PHE 11 10.735 -3.544 -14.135
80 HB2 PHE 11 2HB PHE 11 11.316 -4.476 -16.335
81 HB3 PHE 11 3HB PHE 11 12.817 -3.556 -16.331
82 HD1 PHE 11 HD1 PHE 11 10.993 -5.968 -14.143
83 HD2 PHE 11 HD2 PHE 11 14.724 -4.668 -15.725
84 HE1 PHE 11 HE1 PHE 11 12.123 -7.829 -12.997
85 HE2 PHE 11 HE2 PHE 11 15.860 -6.528 -14.583
86 HZ PHE 11 HZ PHE 11 14.560 -8.112 -13.217
87 H LEU 12 H LEU 12 13.535 -1.761 -15.447
88 HA LEU 12 HA LEU 12 15.197 -1.988 -13.256
89 HB2 LEU 12 2HB LEU 12 15.032 0.481 -14.963
90 HB3 LEU 12 3HB LEU 12 16.443 -0.167 -14.131
91 HG LEU 12 HG LEU 12 15.084 -1.327 -16.562
92 HD11 LEU 12 1HD1 LEU 12 16.910 -0.619 -17.792
93 HD12 LEU 12 2HD1 LEU 12 17.931 -0.433 -16.366
94 HD13 LEU 12 3HD1 LEU 12 16.648 0.733 -16.689
95 HD21 LEU 12 3HD2 LEU 12 17.435 -2.360 -14.977
96 HD22 LEU 12 1HD2 LEU 12 16.886 -2.994 -16.529
97 HD23 LEU 12 2HD2 LEU 12 15.847 -3.117 -15.109
98 H TYR 13 H TYR 13 12.552 0.248 -13.804
99 HA TYR 13 HA TYR 13 13.023 2.153 -11.864
100 HB2 TYR 13 2HB TYR 13 11.188 2.433 -13.376
101 HB3 TYR 13 3HB TYR 13 10.420 0.952 -12.814
102 HD1 TYR 13 HD2 TYR 13 11.329 4.400 -11.796
103 HD2 TYR 13 HD1 TYR 13 8.926 0.982 -10.991
104 HE1 TYR 13 HE2 TYR 13 10.037 5.701 -10.156
105 HE2 TYR 13 HE1 TYR 13 7.627 2.274 -9.350
106 HH TYR 13 HH TYR 13 8.530 5.568 -8.475
107 H ARG 14 H ARG 14 11.220 -0.897 -11.483
108 HA ARG 14 HA ARG 14 10.625 -0.670 -8.782
109 HB2 ARG 14 2HB ARG 14 10.142 -2.536 -10.691
110 HB3 ARG 14 3HB ARG 14 11.336 -3.379 -9.715
111 HG2 ARG 14 2HG ARG 14 9.976 -3.374 -7.825
112 HG3 ARG 14 3HG ARG 14 8.947 -2.088 -8.457
113 HD2 ARG 14 2HD ARG 14 7.670 -3.518 -9.634
114 HD3 ARG 14 3HD ARG 14 9.048 -4.507 -10.114
115 HE ARG 14 HE ARG 14 8.771 -5.124 -7.511
116 HH11 ARG 14 1HH1 ARG 14 6.504 -4.994 -10.150
117 HH12 ARG 14 2HH1 ARG 14 5.487 -6.243 -9.509
118 HH21 ARG 14 1HH2 ARG 14 7.441 -6.769 -6.657
119 HH22 ARG 14 2HH2 ARG 14 6.021 -7.251 -7.522
120 H LEU 15 H LEU 15 13.624 -1.429 -10.343
121 HA LEU 15 HA LEU 15 14.865 -2.489 -7.958
122 HB2 LEU 15 2HB LEU 15 16.240 -1.612 -10.484
123 HB3 LEU 15 3HB LEU 15 16.825 -2.748 -9.271
124 HG LEU 15 HG LEU 15 14.472 -3.256 -11.089
125 HD11 LEU 15 1HD1 LEU 15 17.260 -4.376 -11.299
126 HD12 LEU 15 2HD1 LEU 15 16.648 -3.050 -12.288
127 HD13 LEU 15 3HD1 LEU 15 15.907 -4.646 -12.397
128 HD21 LEU 15 3HD2 LEU 15 14.462 -4.459 -8.928
129 HD22 LEU 15 1HD2 LEU 15 16.043 -5.132 -9.327
130 HD23 LEU 15 2HD2 LEU 15 14.639 -5.534 -10.316
131 H THR 16 H THR 16 13.954 -0.213 -7.087
132 HA THR 16 HA THR 16 16.200 1.692 -7.197
133 HB THR 16 HB THR 16 14.439 3.327 -6.252
134 HG1 THR 16 HG1 THR 16 12.338 2.769 -6.521
135 HG21 THR 16 3HG2 THR 16 13.397 3.354 -8.747
136 HG22 THR 16 1HG2 THR 16 14.834 2.366 -9.013
137 HG23 THR 16 2HG2 THR 16 14.991 3.990 -8.343
138 H SER 17 H SER 17 16.087 3.146 -5.082
139 HA SER 17 HA SER 17 16.691 1.361 -2.919
140 HB2 SER 17 2HB SER 17 17.788 3.663 -3.555
141 HB3 SER 17 3HB SER 17 16.495 4.331 -2.561
142 HG SER 17 HG SER 17 18.383 3.904 -1.340
143 H ARG 18 H ARG 18 14.045 3.471 -3.789
144 HA ARG 18 HA ARG 18 12.773 3.491 -1.247
145 HB2 ARG 18 2HB ARG 18 11.396 3.853 -3.904
146 HB3 ARG 18 3HB ARG 18 10.928 4.515 -2.344
147 HG2 ARG 18 2HG ARG 18 13.332 5.297 -3.979
148 HG3 ARG 18 3HG ARG 18 11.869 6.249 -3.722
149 HD2 ARG 18 2HD ARG 18 13.907 5.447 -1.650
150 HD3 ARG 18 3HD ARG 18 13.613 7.069 -2.277
151 HE ARG 18 HE ARG 18 11.213 6.324 -1.243
152 HH11 ARG 18 1HH1 ARG 18 14.459 6.468 0.006
153 HH12 ARG 18 2HH1 ARG 18 13.958 6.786 1.634
154 HH21 ARG 18 1HH2 ARG 18 10.540 6.742 0.896
155 HH22 ARG 18 2HH2 ARG 18 11.728 6.941 2.139
156 H TYR 19 H TYR 19 12.392 1.511 -4.157
157 HA TYR 19 HA TYR 19 10.150 0.050 -3.421
158 HB2 TYR 19 2HB TYR 19 11.001 -0.139 -5.651
159 HB3 TYR 19 3HB TYR 19 12.552 -0.740 -5.074
160 HD1 TYR 19 HD2 TYR 19 8.927 -1.609 -5.134
161 HD2 TYR 19 HD1 TYR 19 12.933 -3.033 -4.975
162 HE1 TYR 19 HE2 TYR 19 8.110 -3.917 -5.364
163 HE2 TYR 19 HE1 TYR 19 12.127 -5.345 -5.205
164 HH TYR 19 HH TYR 19 9.606 -6.487 -4.567
165 H ARG 20 H ARG 20 13.433 -0.181 -2.306
166 HA ARG 20 HA ARG 20 13.201 -2.784 -1.151
167 HB2 ARG 20 2HB ARG 20 15.167 -0.634 -0.366
168 HB3 ARG 20 3HB ARG 20 15.348 -2.374 -0.186
169 HG2 ARG 20 2HG ARG 20 15.013 -2.199 -2.855
170 HG3 ARG 20 3HG ARG 20 15.800 -0.654 -2.525
171 HD2 ARG 20 2HD ARG 20 16.897 -3.178 -1.356
172 HD3 ARG 20 3HD ARG 20 17.241 -2.761 -3.035
173 HE ARG 20 HE ARG 20 17.780 -0.608 -1.230
174 HH11 ARG 20 1HH1 ARG 20 19.049 -3.561 -2.568
175 HH12 ARG 20 2HH1 ARG 20 20.705 -3.114 -2.322
176 HH21 ARG 20 1HH2 ARG 20 19.956 -0.008 -0.901
177 HH22 ARG 20 2HH2 ARG 20 21.219 -1.094 -1.372
178 H HIS 21 H HIS 21 12.496 0.460 -0.109
179 HA HIS 21 HA HIS 21 12.190 -0.316 2.672
180 HB2 HIS 21 2HB HIS 21 12.046 2.254 1.152
181 HB3 HIS 21 3HB HIS 21 11.250 2.153 2.720
182 HD1 HIS 21 HD1 HIS 21 13.155 0.788 4.492
183 HD2 HIS 21 HD2 HIS 21 14.446 3.410 1.540
184 HE1 HIS 21 HE1 HIS 21 15.439 1.548 5.220
185 H TYR 22 H TYR 22 10.240 0.116 -0.159
186 HA TYR 22 HA TYR 22 7.745 0.233 1.295
187 HB2 TYR 22 2HB TYR 22 8.410 0.039 -1.643
188 HB3 TYR 22 3HB TYR 22 6.758 0.026 -1.035
189 HD1 TYR 22 HD2 TYR 22 6.616 2.038 0.960
190 HD2 TYR 22 HD1 TYR 22 8.896 2.062 -2.632
191 HE1 TYR 22 HE2 TYR 22 6.597 4.498 0.971
192 HE2 TYR 22 HE1 TYR 22 8.884 4.521 -2.631
193 HH TYR 22 HH TYR 22 8.208 6.359 -1.593
194 H ALA 23 H ALA 23 9.481 -2.126 -0.703
195 HA ALA 23 HA ALA 23 7.497 -4.157 -0.469
196 HB1 ALA 23 1HB ALA 23 9.376 -3.889 -2.228
197 HB2 ALA 23 2HB ALA 23 10.373 -4.743 -1.049
198 HB3 ALA 23 3HB ALA 23 8.922 -5.508 -1.697
199 H ALA 24 H ALA 24 10.152 -3.121 1.500
200 HA ALA 24 HA ALA 24 10.106 -5.564 3.096
201 HB1 ALA 24 1HB ALA 24 12.275 -4.580 2.543
202 HB2 ALA 24 2HB ALA 24 11.817 -3.097 3.381
203 HB3 ALA 24 3HB ALA 24 12.001 -4.599 4.286
204 H PHE 25 H PHE 25 7.954 -3.362 2.939
205 HA PHE 25 HA PHE 25 7.539 -3.224 5.834
206 HB2 PHE 25 2HB PHE 25 7.734 -0.917 3.953
207 HB3 PHE 25 3HB PHE 25 6.548 -0.830 5.251
208 HD1 PHE 25 HD1 PHE 25 10.149 -1.606 4.690
209 HD2 PHE 25 HD2 PHE 25 7.195 0.009 7.294
210 HE1 PHE 25 HE1 PHE 25 11.916 -0.894 6.247
211 HE2 PHE 25 HE2 PHE 25 8.957 0.725 8.855
212 HZ PHE 25 HZ PHE 25 11.321 0.275 8.332
213 H GLU 26 H GLU 26 6.056 -2.361 2.707
214 HA GLU 26 HA GLU 26 3.403 -2.438 3.453
215 HB2 GLU 26 2HB GLU 26 4.843 -2.941 0.889
216 HB3 GLU 26 3HB GLU 26 3.134 -3.343 0.975
217 HG2 GLU 26 2HG GLU 26 3.821 -0.689 2.009
218 HG3 GLU 26 3HG GLU 26 4.122 -0.918 0.288
219 H ARG 27 H ARG 27 5.374 -5.134 2.223
220 HA ARG 27 HA ARG 27 3.468 -6.982 3.493
221 HB2 ARG 27 2HB ARG 27 4.532 -6.977 0.711
222 HB3 ARG 27 3HB ARG 27 4.318 -8.532 1.503
223 HG2 ARG 27 2HG ARG 27 2.124 -6.489 1.333
224 HG3 ARG 27 3HG ARG 27 2.396 -7.711 0.089
225 HD2 ARG 27 2HD ARG 27 1.855 -8.253 3.007
226 HD3 ARG 27 3HD ARG 27 0.684 -8.410 1.698
227 HE ARG 27 HE ARG 27 2.860 -9.995 1.032
228 HH11 ARG 27 1HH1 ARG 27 0.447 -9.834 3.536
229 HH12 ARG 27 2HH1 ARG 27 0.448 -11.542 3.828
230 HH21 ARG 27 1HH2 ARG 27 2.870 -12.245 1.407
231 HH22 ARG 27 2HH2 ARG 27 1.827 -12.912 2.617
232 H ALA 28 H ALA 28 6.767 -6.386 2.409
233 HA ALA 28 HA ALA 28 8.781 -7.166 3.126
234 HB1 ALA 28 1HB ALA 28 8.524 -6.520 5.291
235 HB2 ALA 28 2HB ALA 28 7.045 -7.456 5.513
236 HB3 ALA 28 3HB ALA 28 8.613 -8.264 5.538
237 H THR 29 H THR 29 6.671 -8.975 1.828
238 HA THR 29 HA THR 29 7.516 -11.607 2.736
239 HB THR 29 HB THR 29 5.735 -11.069 0.369
240 HG1 THR 29 HG1 THR 29 4.963 -11.238 3.111
241 HG21 THR 29 3HG2 THR 29 5.827 -13.308 0.326
242 HG22 THR 29 1HG2 THR 29 4.810 -13.258 1.765
243 HG23 THR 29 2HG2 THR 29 6.561 -13.392 1.928
244 H PHE 30 H PHE 30 9.103 -9.460 1.080
245 HA PHE 30 HA PHE 30 10.115 -11.383 -0.909
246 HB2 PHE 30 2HB PHE 30 10.476 -8.441 -1.297
247 HB3 PHE 30 3HB PHE 30 10.382 -9.724 -2.500
248 HD1 PHE 30 HD1 PHE 30 8.453 -7.505 -0.311
249 HD2 PHE 30 HD2 PHE 30 8.273 -10.474 -3.356
250 HE1 PHE 30 HE1 PHE 30 6.083 -6.966 -0.692
251 HE2 PHE 30 HE2 PHE 30 5.903 -9.938 -3.743
252 HZ PHE 30 HZ PHE 30 4.806 -8.181 -2.411
Start of MODEL 20
1 H1 TYR 1 H TYR 1 5.944 -6.717 -8.067
2 HA TYR 1 HA TYR 1 3.954 -7.779 -6.279
3 HB2 TYR 1 2HB TYR 1 5.918 -6.303 -5.613
4 HB3 TYR 1 3HB TYR 1 5.022 -4.957 -6.310
5 HD1 TYR 1 HD2 TYR 1 2.897 -4.221 -5.285
6 HD2 TYR 1 HD1 TYR 1 5.304 -7.239 -3.496
7 HE1 TYR 1 HE2 TYR 1 1.682 -3.926 -3.167
8 HE2 TYR 1 HE1 TYR 1 4.095 -6.954 -1.373
9 HH TYR 1 HH TYR 1 1.191 -5.302 -1.121
10 H ALA 2 H ALA 2 4.096 -4.731 -8.132
11 HA ALA 2 HA ALA 2 1.287 -5.074 -8.860
12 HB1 ALA 2 1HB ALA 2 2.289 -3.114 -6.942
13 HB2 ALA 2 2HB ALA 2 1.333 -2.407 -8.245
14 HB3 ALA 2 3HB ALA 2 0.643 -3.679 -7.236
15 H GLU 3 H GLU 3 0.599 -3.632 -10.583
16 HA GLU 3 HA GLU 3 2.865 -2.836 -12.283
17 HB2 GLU 3 2HB GLU 3 0.144 -3.927 -12.882
18 HB3 GLU 3 3HB GLU 3 0.946 -2.918 -14.078
19 HG2 GLU 3 2HG GLU 3 2.830 -4.443 -14.139
20 HG3 GLU 3 3HG GLU 3 2.086 -5.438 -12.889
21 H LYS 4 H LYS 4 -0.144 -1.779 -10.863
22 HA LYS 4 HA LYS 4 -0.647 0.546 -12.276
23 HB2 LYS 4 2HB LYS 4 -1.064 -0.123 -9.365
24 HB3 LYS 4 3HB LYS 4 -1.626 1.384 -10.078
25 HG2 LYS 4 2HG LYS 4 -3.135 0.256 -11.505
26 HG3 LYS 4 3HG LYS 4 -2.409 -1.313 -11.148
27 HD2 LYS 4 2HD LYS 4 -4.393 -1.255 -9.887
28 HD3 LYS 4 3HD LYS 4 -3.106 -0.901 -8.731
29 HE2 LYS 4 2HE LYS 4 -4.571 1.304 -10.137
30 HE3 LYS 4 3HE LYS 4 -5.246 0.543 -8.697
31 HZ1 LYS 4 3HZ LYS 4 -4.001 1.935 -7.527
32 HZ2 LYS 4 1HZ LYS 4 -3.173 2.475 -8.900
33 HZ3 LYS 4 2HZ LYS 4 -2.630 1.106 -8.069
34 H VAL 5 H VAL 5 1.830 -0.126 -9.928
35 HA VAL 5 HA VAL 5 2.626 2.699 -9.879
36 HB VAL 5 HB VAL 5 3.723 0.439 -8.204
37 HG11 VAL 5 1HG1 VAL 5 5.247 2.308 -8.403
38 HG12 VAL 5 2HG1 VAL 5 3.963 3.437 -7.967
39 HG13 VAL 5 3HG1 VAL 5 4.556 2.273 -6.781
40 HG21 VAL 5 3HG2 VAL 5 1.281 2.040 -7.941
41 HG22 VAL 5 1HG2 VAL 5 1.712 0.495 -7.208
42 HG23 VAL 5 2HG2 VAL 5 2.290 2.001 -6.496
43 H ALA 6 H ALA 6 3.534 -0.400 -11.100
44 HA ALA 6 HA ALA 6 6.227 0.506 -11.784
45 HB1 ALA 6 1HB ALA 6 5.276 -1.939 -11.001
46 HB2 ALA 6 2HB ALA 6 5.428 -2.131 -12.748
47 HB3 ALA 6 3HB ALA 6 6.827 -1.647 -11.789
48 H GLN 7 H GLN 7 3.716 1.558 -13.033
49 HA GLN 7 HA GLN 7 4.242 0.778 -15.823
50 HB2 GLN 7 2HB GLN 7 1.995 1.484 -16.357
51 HB3 GLN 7 3HB GLN 7 1.937 0.354 -15.010
52 HG2 GLN 7 2HG GLN 7 1.640 2.176 -13.450
53 HG3 GLN 7 3HG GLN 7 1.796 3.349 -14.756
54 HE21 GLN 7 1HE2 GLN 7 -0.317 3.989 -13.780
55 HE22 GLN 7 2HE2 GLN 7 -1.741 3.241 -14.411
56 H GLU 8 H GLU 8 4.242 3.369 -13.545
57 HA GLU 8 HA GLU 8 4.111 5.563 -15.298
58 HB2 GLU 8 2HB GLU 8 5.200 5.148 -12.539
59 HB3 GLU 8 3HB GLU 8 5.521 6.659 -13.378
60 HG2 GLU 8 2HG GLU 8 2.802 5.515 -12.782
61 HG3 GLU 8 3HG GLU 8 3.584 6.840 -11.921
62 H LYS 9 H LYS 9 6.655 3.339 -14.551
63 HA LYS 9 HA LYS 9 8.376 4.695 -16.491
64 HB2 LYS 9 2HB LYS 9 9.041 4.106 -13.637
65 HB3 LYS 9 3HB LYS 9 10.312 3.977 -14.846
66 HG2 LYS 9 2HG LYS 9 8.679 6.444 -14.869
67 HG3 LYS 9 3HG LYS 9 9.803 6.226 -13.526
68 HD2 LYS 9 2HD LYS 9 11.458 5.588 -15.491
69 HD3 LYS 9 3HD LYS 9 10.347 6.590 -16.429
70 HE2 LYS 9 2HE LYS 9 10.823 8.496 -15.184
71 HE3 LYS 9 3HE LYS 9 11.454 7.569 -13.824
72 HZ1 LYS 9 3HZ LYS 9 13.004 7.021 -16.102
73 HZ2 LYS 9 1HZ LYS 9 13.479 7.763 -14.657
74 HZ3 LYS 9 2HZ LYS 9 12.880 8.700 -15.932
75 H GLY 10 H GLY 10 7.799 1.815 -14.508
76 HA2 GLY 10 2HA GLY 10 7.560 -0.230 -15.999
77 HA3 GLY 10 3HA GLY 10 9.160 0.210 -16.578
78 H PHE 11 H PHE 11 9.585 -2.052 -15.865
79 HA PHE 11 HA PHE 11 9.585 -2.716 -13.108
80 HB2 PHE 11 2HB PHE 11 9.584 -4.432 -14.860
81 HB3 PHE 11 3HB PHE 11 11.181 -3.909 -15.385
82 HD1 PHE 11 HD1 PHE 11 9.422 -5.108 -12.325
83 HD2 PHE 11 HD2 PHE 11 13.022 -5.035 -14.595
84 HE1 PHE 11 HE1 PHE 11 10.452 -6.679 -10.735
85 HE2 PHE 11 HE2 PHE 11 14.057 -6.607 -13.010
86 HZ PHE 11 HZ PHE 11 12.772 -7.431 -11.077
87 H LEU 12 H LEU 12 12.077 -1.498 -15.307
88 HA LEU 12 HA LEU 12 14.302 -1.657 -13.689
89 HB2 LEU 12 2HB LEU 12 13.623 0.632 -15.528
90 HB3 LEU 12 3HB LEU 12 15.232 0.168 -14.979
91 HG LEU 12 HG LEU 12 13.605 -1.796 -16.530
92 HD11 LEU 12 1HD1 LEU 12 15.303 0.277 -17.884
93 HD12 LEU 12 2HD1 LEU 12 13.561 0.469 -17.686
94 HD13 LEU 12 3HD1 LEU 12 14.199 -0.891 -18.612
95 HD21 LEU 12 3HD2 LEU 12 15.552 -2.809 -15.925
96 HD22 LEU 12 1HD2 LEU 12 16.454 -1.294 -15.865
97 HD23 LEU 12 2HD2 LEU 12 16.092 -2.044 -17.420
98 H TYR 13 H TYR 13 11.620 0.566 -13.521
99 HA TYR 13 HA TYR 13 12.838 2.482 -11.819
100 HB2 TYR 13 2HB TYR 13 10.936 3.284 -12.896
101 HB3 TYR 13 3HB TYR 13 10.012 1.822 -12.572
102 HD1 TYR 13 HD1 TYR 13 11.148 5.027 -11.209
103 HD2 TYR 13 HD2 TYR 13 8.884 1.506 -10.447
104 HE1 TYR 13 HE1 TYR 13 10.115 6.120 -9.264
105 HE2 TYR 13 HE2 TYR 13 7.843 2.591 -8.500
106 HH TYR 13 HH TYR 13 7.484 4.626 -7.499
107 H ARG 14 H ARG 14 10.878 -0.401 -11.226
108 HA ARG 14 HA ARG 14 10.511 -0.114 -8.477
109 HB2 ARG 14 2HB ARG 14 10.888 -2.699 -10.000
110 HB3 ARG 14 3HB ARG 14 10.112 -2.517 -8.433
111 HG2 ARG 14 2HG ARG 14 9.120 -1.319 -11.011
112 HG3 ARG 14 3HG ARG 14 8.496 -2.787 -10.254
113 HD2 ARG 14 2HD ARG 14 8.486 -0.809 -8.261
114 HD3 ARG 14 3HD ARG 14 7.850 -0.041 -9.716
115 HE ARG 14 HE ARG 14 6.542 -2.449 -9.529
116 HH11 ARG 14 1HH1 ARG 14 6.911 0.372 -7.522
117 HH12 ARG 14 2HH1 ARG 14 5.359 0.202 -6.772
118 HH21 ARG 14 1HH2 ARG 14 4.496 -2.684 -8.548
119 HH22 ARG 14 2HH2 ARG 14 3.987 -1.537 -7.355
120 H LEU 15 H LEU 15 13.316 -1.025 -10.294
121 HA LEU 15 HA LEU 15 14.721 -2.258 -8.127
122 HB2 LEU 15 2HB LEU 15 15.919 -1.055 -10.610
123 HB3 LEU 15 3HB LEU 15 16.604 -2.312 -9.582
124 HG LEU 15 HG LEU 15 14.128 -2.661 -11.269
125 HD11 LEU 15 1HD1 LEU 15 16.947 -3.573 -11.828
126 HD12 LEU 15 2HD1 LEU 15 16.117 -2.255 -12.655
127 HD13 LEU 15 3HD1 LEU 15 15.519 -3.906 -12.809
128 HD21 LEU 15 3HD2 LEU 15 15.858 -4.605 -9.745
129 HD22 LEU 15 1HD2 LEU 15 14.559 -5.057 -10.848
130 HD23 LEU 15 2HD2 LEU 15 14.192 -4.156 -9.376
131 H THR 16 H THR 16 14.208 -0.471 -6.595
132 HA THR 16 HA THR 16 16.402 1.476 -6.617
133 HB THR 16 HB THR 16 14.885 3.234 -5.739
134 HG1 THR 16 HG1 THR 16 12.793 2.851 -5.478
135 HG21 THR 16 3HG2 THR 16 14.444 2.077 -8.471
136 HG22 THR 16 1HG2 THR 16 15.359 3.511 -8.007
137 HG23 THR 16 2HG2 THR 16 13.596 3.536 -7.959
138 H SER 17 H SER 17 16.275 2.708 -4.357
139 HA SER 17 HA SER 17 16.701 0.677 -2.386
140 HB2 SER 17 2HB SER 17 17.927 2.954 -2.677
141 HB3 SER 17 3HB SER 17 16.576 3.614 -1.755
142 HG SER 17 HG SER 17 17.456 2.833 -0.025
143 H ARG 18 H ARG 18 14.331 3.285 -2.807
144 HA ARG 18 HA ARG 18 12.903 2.929 -0.444
145 HB2 ARG 18 2HB ARG 18 12.143 3.968 -3.158
146 HB3 ARG 18 3HB ARG 18 10.943 3.837 -1.880
147 HG2 ARG 18 2HG ARG 18 11.704 6.043 -1.774
148 HG3 ARG 18 3HG ARG 18 12.538 5.215 -0.458
149 HD2 ARG 18 2HD ARG 18 14.567 5.161 -1.627
150 HD3 ARG 18 3HD ARG 18 13.786 5.503 -3.170
151 HE ARG 18 HE ARG 18 13.359 7.666 -1.436
152 HH11 ARG 18 1HH1 ARG 18 15.931 6.115 -3.198
153 HH12 ARG 18 2HH1 ARG 18 16.861 7.566 -3.374
154 HH21 ARG 18 1HH2 ARG 18 14.575 9.583 -1.661
155 HH22 ARG 18 2HH2 ARG 18 16.090 9.538 -2.499
156 H TYR 19 H TYR 19 12.397 1.435 -3.628
157 HA TYR 19 HA TYR 19 10.106 -0.012 -3.106
158 HB2 TYR 19 2HB TYR 19 10.975 0.060 -5.335
159 HB3 TYR 19 3HB TYR 19 12.485 -0.696 -4.838
160 HD1 TYR 19 HD1 TYR 19 8.813 -1.385 -4.905
161 HD2 TYR 19 HD2 TYR 19 12.752 -2.968 -5.185
162 HE1 TYR 19 HE1 TYR 19 7.880 -3.593 -5.457
163 HE2 TYR 19 HE2 TYR 19 11.830 -5.180 -5.739
164 HH TYR 19 HH TYR 19 9.660 -6.065 -6.766
165 H ARG 20 H ARG 20 13.397 -0.653 -2.118
166 HA ARG 20 HA ARG 20 12.985 -3.347 -1.302
167 HB2 ARG 20 2HB ARG 20 15.071 -1.469 -0.201
168 HB3 ARG 20 3HB ARG 20 15.148 -3.222 -0.319
169 HG2 ARG 20 2HG ARG 20 14.802 -2.479 -2.928
170 HG3 ARG 20 3HG ARG 20 15.807 -1.177 -2.288
171 HD2 ARG 20 2HD ARG 20 16.972 -3.428 -1.228
172 HD3 ARG 20 3HD ARG 20 16.468 -3.967 -2.830
173 HE ARG 20 HE ARG 20 18.107 -2.660 -3.736
174 HH11 ARG 20 1HH1 ARG 20 17.504 -1.608 -0.472
175 HH12 ARG 20 2HH1 ARG 20 18.827 -0.490 -0.450
176 HH21 ARG 20 1HH2 ARG 20 19.851 -1.191 -3.719
177 HH22 ARG 20 2HH2 ARG 20 20.161 -0.252 -2.297
178 H HIS 21 H HIS 21 13.076 -0.262 0.464
179 HA HIS 21 HA HIS 21 12.613 -1.317 3.021
180 HB2 HIS 21 2HB HIS 21 11.881 1.401 1.914
181 HB3 HIS 21 3HB HIS 21 11.901 0.977 3.623
182 HD1 HIS 21 HD1 HIS 21 14.358 0.210 4.534
183 HD2 HIS 21 HD2 HIS 21 14.244 2.351 0.975
184 HE1 HIS 21 HE1 HIS 21 16.691 1.086 4.202
185 H TYR 22 H TYR 22 10.458 -0.606 0.380
186 HA TYR 22 HA TYR 22 8.041 -0.599 1.869
187 HB2 TYR 22 2HB TYR 22 8.726 -0.891 -1.036
188 HB3 TYR 22 3HB TYR 22 7.079 -1.186 -0.488
189 HD1 TYR 22 HD2 TYR 22 6.102 0.733 1.074
190 HD2 TYR 22 HD1 TYR 22 9.274 1.245 -1.715
191 HE1 TYR 22 HE2 TYR 22 5.641 3.147 1.002
192 HE2 TYR 22 HE1 TYR 22 8.822 3.661 -1.794
193 HH TYR 22 HH TYR 22 7.231 5.255 -1.290
194 H ALA 23 H ALA 23 9.492 -3.084 -0.239
195 HA ALA 23 HA ALA 23 7.642 -5.108 0.341
196 HB1 ALA 23 1HB ALA 23 8.854 -6.335 -1.085
197 HB2 ALA 23 2HB ALA 23 9.774 -4.853 -1.350
198 HB3 ALA 23 3HB ALA 23 10.354 -6.056 -0.198
199 H ALA 24 H ALA 24 10.469 -3.997 2.057
200 HA ALA 24 HA ALA 24 10.683 -6.282 3.773
201 HB1 ALA 24 1HB ALA 24 11.863 -3.966 4.951
202 HB2 ALA 24 2HB ALA 24 12.651 -5.370 4.231
203 HB3 ALA 24 3HB ALA 24 12.226 -3.986 3.225
204 H PHE 25 H PHE 25 8.432 -3.859 3.576
205 HA PHE 25 HA PHE 25 7.696 -4.208 6.404
206 HB2 PHE 25 2HB PHE 25 7.769 -1.689 4.769
207 HB3 PHE 25 3HB PHE 25 6.661 -1.840 6.129
208 HD1 PHE 25 HD1 PHE 25 10.261 -2.482 5.374
209 HD2 PHE 25 HD2 PHE 25 7.377 -1.010 8.137
210 HE1 PHE 25 HE1 PHE 25 12.070 -1.835 6.911
211 HE2 PHE 25 HE2 PHE 25 9.181 -0.360 9.679
212 HZ PHE 25 HZ PHE 25 11.531 -0.771 9.066
213 H GLU 26 H GLU 26 6.880 -4.868 3.318
214 HA GLU 26 HA GLU 26 4.000 -4.871 3.939
215 HB2 GLU 26 2HB GLU 26 5.443 -3.966 1.525
216 HB3 GLU 26 3HB GLU 26 4.009 -4.940 1.231
217 HG2 GLU 26 2HG GLU 26 3.903 -2.606 3.094
218 HG3 GLU 26 3HG GLU 26 3.794 -2.374 1.350
219 H ARG 27 H ARG 27 6.697 -6.516 2.398
220 HA ARG 27 HA ARG 27 5.213 -9.035 2.628
221 HB2 ARG 27 2HB ARG 27 5.928 -9.778 0.447
222 HB3 ARG 27 3HB ARG 27 5.082 -8.246 0.277
223 HG2 ARG 27 2HG ARG 27 6.848 -7.283 -0.657
224 HG3 ARG 27 3HG ARG 27 7.918 -7.843 0.629
225 HD2 ARG 27 2HD ARG 27 7.629 -10.150 -0.633
226 HD3 ARG 27 3HD ARG 27 7.276 -9.086 -1.995
227 HE ARG 27 HE ARG 27 9.624 -8.200 -0.752
228 HH11 ARG 27 1HH1 ARG 27 8.452 -10.896 -2.616
229 HH12 ARG 27 2HH1 ARG 27 9.998 -11.255 -3.311
230 HH21 ARG 27 1HH2 ARG 27 11.665 -8.663 -1.660
231 HH22 ARG 27 2HH2 ARG 27 11.825 -9.985 -2.766
232 H ALA 28 H ALA 28 7.250 -7.868 4.298
233 HA ALA 28 HA ALA 28 9.766 -9.105 3.725
234 HB1 ALA 28 1HB ALA 28 10.440 -7.624 5.228
235 HB2 ALA 28 2HB ALA 28 8.763 -7.217 5.598
236 HB3 ALA 28 3HB ALA 28 9.574 -8.507 6.486
237 H THR 29 H THR 29 7.725 -9.596 6.600
238 HA THR 29 HA THR 29 8.534 -12.420 6.591
239 HB THR 29 HB THR 29 8.974 -10.939 8.628
240 HG1 THR 29 HG1 THR 29 8.362 -12.692 10.033
241 HG21 THR 29 3HG2 THR 29 6.069 -11.451 9.218
242 HG22 THR 29 1HG2 THR 29 6.631 -9.937 8.512
243 HG23 THR 29 2HG2 THR 29 7.204 -10.434 10.104
244 H PHE 30 H PHE 30 5.791 -10.292 6.430
245 HA PHE 30 HA PHE 30 3.976 -12.607 6.470
246 HB2 PHE 30 2HB PHE 30 2.213 -10.689 6.660
247 HB3 PHE 30 3HB PHE 30 3.146 -11.152 8.080
248 HD1 PHE 30 HD2 PHE 30 3.784 -8.931 5.146
249 HD2 PHE 30 HD1 PHE 30 3.661 -9.343 9.381
250 HE1 PHE 30 HE2 PHE 30 4.554 -6.607 5.391
251 HE2 PHE 30 HE1 PHE 30 4.430 -7.019 9.633
252 HZ PHE 30 HZ PHE 30 4.879 -5.648 7.637