NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588515 |
2mvj   |
25270 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 13.455 2.782 1.124
2 H2 MET 1 HT2 MET 1 11.757 2.765 1.151
3 H3 MET 1 HT3 MET 1 12.626 3.064 2.579
4 HA MET 1 HA MET 1 13.527 5.109 1.569
5 HB2 MET 1 HB2 MET 1 12.184 5.916 -0.482
6 HB3 MET 1 HB1 MET 1 13.321 4.603 -0.778
7 HG2 MET 1 HG2 MET 1 11.555 2.953 -0.779
8 HG3 MET 1 HG1 MET 1 10.379 4.111 -0.162
9 HE1 MET 1 HE1 MET 1 12.226 3.908 -4.351
10 HE2 MET 1 HE2 MET 1 12.836 3.204 -2.857
11 HE3 MET 1 HE3 MET 1 13.075 4.922 -3.180
12 H LYS 2 HN LYS 2 11.674 7.013 0.989
13 HA LYS 2 HA LYS 2 10.233 7.295 3.439
14 HB2 LYS 2 HB2 LYS 2 10.051 8.854 0.829
15 HB3 LYS 2 HB1 LYS 2 9.327 9.355 2.361
16 HG2 LYS 2 HG2 LYS 2 11.583 9.368 3.411
17 HG3 LYS 2 HG1 LYS 2 12.292 8.918 1.858
18 HD2 LYS 2 HD2 LYS 2 11.370 11.000 0.850
19 HD3 LYS 2 HD1 LYS 2 10.715 11.453 2.425
20 HE2 LYS 2 HE2 LYS 2 13.651 11.046 1.759
21 HE3 LYS 2 HE1 LYS 2 12.856 12.593 2.062
22 HZ1 LYS 2 HZ1 LYS 2 12.215 11.611 4.284
23 HZ2 LYS 2 HZ2 LYS 2 13.858 11.995 4.079
24 HZ3 LYS 2 HZ3 LYS 2 13.337 10.381 3.968
25 H PHE 3 HN PHE 3 9.549 5.651 0.562
26 HA PHE 3 HA PHE 3 7.735 4.536 -0.245
27 HB2 PHE 3 HB2 PHE 3 6.430 5.111 2.439
28 HB3 PHE 3 HB1 PHE 3 5.937 3.899 1.268
29 HD1 PHE 3 HD2 PHE 3 7.723 2.157 0.509
30 HD2 PHE 3 HD1 PHE 3 8.055 4.469 4.135
31 HE1 PHE 3 HE2 PHE 3 9.332 0.514 1.422
32 HE2 PHE 3 HE1 PHE 3 9.668 2.810 5.030
33 HZ PHE 3 HZ PHE 3 10.297 0.834 3.678
34 H TYR 4 HN TYR 4 7.593 7.765 0.721
35 HA TYR 4 HA TYR 4 4.943 8.415 -0.233
36 HB2 TYR 4 HB2 TYR 4 5.625 9.932 1.432
37 HB3 TYR 4 HB1 TYR 4 7.315 9.821 0.975
38 HD1 TYR 4 HD1 TYR 4 8.188 11.056 -0.993
39 HD2 TYR 4 HD2 TYR 4 4.182 11.668 0.443
40 HE1 TYR 4 HE1 TYR 4 8.066 13.177 -2.252
41 HE2 TYR 4 HE2 TYR 4 4.061 13.800 -0.829
42 HH TYR 4 HH TYR 4 5.479 15.438 -1.804
43 H THR 5 HN THR 5 7.943 7.678 -1.547
44 HA THR 5 HA THR 5 8.060 9.328 -3.838
45 HB THR 5 HB THR 5 9.101 6.493 -3.531
46 HG1 THR 5 HG1 THR 5 10.811 8.550 -3.072
47 HG21 THR 5 HG21 THR 5 10.844 7.267 -5.086
48 HG22 THR 5 HG22 THR 5 10.071 8.848 -5.171
49 HG23 THR 5 HG23 THR 5 9.248 7.428 -5.817
50 H ILE 6 HN ILE 6 6.629 6.101 -3.281
51 HA ILE 6 HA ILE 6 5.655 5.715 -5.937
52 HB ILE 6 HB ILE 6 4.784 4.544 -3.261
53 HG12 ILE 6 HG12 ILE 6 5.885 2.470 -4.186
54 HG13 ILE 6 HG11 ILE 6 6.390 3.404 -5.587
55 HG21 ILE 6 HG21 ILE 6 2.814 4.365 -4.684
56 HG22 ILE 6 HG22 ILE 6 3.586 2.785 -4.697
57 HG23 ILE 6 HG23 ILE 6 3.796 3.876 -6.067
58 HD11 ILE 6 HD11 ILE 6 7.169 4.376 -2.836
59 HD12 ILE 6 HD12 ILE 6 7.968 4.594 -4.393
60 HD13 ILE 6 HD13 ILE 6 8.044 3.040 -3.582
61 H LYS 7 HN LYS 7 4.249 7.055 -2.977
62 HA LYS 7 HA LYS 7 1.638 7.493 -3.846
63 HB2 LYS 7 HB2 LYS 7 2.351 7.714 -1.504
64 HB3 LYS 7 HB1 LYS 7 3.312 9.130 -1.916
65 HG2 LYS 7 HG2 LYS 7 1.287 10.371 -2.551
66 HG3 LYS 7 HG1 LYS 7 0.306 8.943 -2.254
67 HD2 LYS 7 HD2 LYS 7 0.942 9.001 0.134
68 HD3 LYS 7 HD1 LYS 7 1.965 10.404 -0.177
69 HE2 LYS 7 HE2 LYS 7 0.005 11.710 -0.880
70 HE3 LYS 7 HE1 LYS 7 -1.039 10.307 -0.631
71 HZ1 LYS 7 HZ1 LYS 7 -0.115 12.185 1.268
72 HZ2 LYS 7 HZ2 LYS 7 0.410 10.628 1.703
73 HZ3 LYS 7 HZ3 LYS 7 -1.243 10.935 1.466
74 H LEU 8 HN LEU 8 4.411 9.728 -3.966
75 HA LEU 8 HA LEU 8 3.011 11.842 -5.152
76 HB2 LEU 8 HB2 LEU 8 5.308 11.918 -4.002
77 HB3 LEU 8 HB1 LEU 8 5.982 11.341 -5.514
78 HG LEU 8 HG LEU 8 4.878 13.333 -6.669
79 HD11 LEU 8 HD11 LEU 8 3.174 14.183 -5.304
80 HD12 LEU 8 HD12 LEU 8 4.455 15.319 -4.933
81 HD13 LEU 8 HD13 LEU 8 4.101 14.001 -3.816
82 HD21 LEU 8 HD21 LEU 8 6.878 13.989 -4.486
83 HD22 LEU 8 HD22 LEU 8 6.581 14.952 -5.933
84 HD23 LEU 8 HD23 LEU 8 7.273 13.338 -6.077
85 H ALA 9 HN ALA 9 4.910 9.224 -6.533
86 HA ALA 9 HA ALA 9 4.890 9.991 -9.195
87 HB1 ALA 9 HB1 ALA 9 4.664 7.185 -8.085
88 HB2 ALA 9 HB2 ALA 9 6.166 8.055 -8.389
89 HB3 ALA 9 HB3 ALA 9 5.130 7.586 -9.737
90 H LYS 10 HN LYS 10 2.451 8.200 -7.363
91 HA LYS 10 HA LYS 10 0.605 7.802 -9.510
92 HB2 LYS 10 HB2 LYS 10 0.293 7.869 -6.488
93 HB3 LYS 10 HB1 LYS 10 -1.035 7.482 -7.569
94 HG2 LYS 10 HG2 LYS 10 0.252 5.584 -8.491
95 HG3 LYS 10 HG1 LYS 10 1.594 5.970 -7.413
96 HD2 LYS 10 HD2 LYS 10 0.185 5.553 -5.449
97 HD3 LYS 10 HD1 LYS 10 -1.212 5.254 -6.481
98 HE2 LYS 10 HE2 LYS 10 -0.102 3.297 -7.460
99 HE3 LYS 10 HE1 LYS 10 1.341 3.608 -6.491
100 HZ1 LYS 10 HZ1 LYS 10 0.072 1.993 -5.343
101 HZ2 LYS 10 HZ2 LYS 10 -1.366 2.880 -5.526
102 HZ3 LYS 10 HZ3 LYS 10 -0.137 3.451 -4.503
103 H PHE 11 HN PHE 11 0.925 10.283 -7.013
104 HA PHE 11 HA PHE 11 -1.368 11.800 -7.548
105 HB2 PHE 11 HB2 PHE 11 0.147 12.113 -5.610
106 HB3 PHE 11 HB1 PHE 11 1.371 12.753 -6.672
107 HD1 PHE 11 HD1 PHE 11 -2.252 13.300 -5.830
108 HD2 PHE 11 HD2 PHE 11 1.516 15.135 -6.870
109 HE1 PHE 11 HE1 PHE 11 -3.248 15.542 -5.518
110 HE2 PHE 11 HE2 PHE 11 0.498 17.368 -6.560
111 HZ PHE 11 HZ PHE 11 -1.881 17.575 -5.885
112 H LEU 12 HN LEU 12 1.922 12.152 -8.830
113 HA LEU 12 HA LEU 12 1.315 14.229 -10.698
114 HB2 LEU 12 HB2 LEU 12 3.521 12.139 -10.762
115 HB3 LEU 12 HB1 LEU 12 3.471 13.589 -11.765
116 HG LEU 12 HG LEU 12 3.597 13.554 -8.729
117 HD11 LEU 12 HD11 LEU 12 5.916 14.396 -9.054
118 HD12 LEU 12 HD12 LEU 12 5.734 14.158 -10.794
119 HD13 LEU 12 HD13 LEU 12 5.683 12.774 -9.700
120 HD21 LEU 12 HD21 LEU 12 2.550 15.598 -9.206
121 HD22 LEU 12 HD22 LEU 12 3.421 15.825 -10.724
122 HD23 LEU 12 HD23 LEU 12 4.241 16.066 -9.180
123 H GLY 13 HN GLY 13 1.432 10.692 -10.951
124 HA2 GLY 13 HA2 GLY 13 0.948 10.544 -13.735
125 HA3 GLY 13 HA1 GLY 13 0.678 9.267 -12.586
126 H GLY 14 HN GLY 14 -1.063 11.438 -11.163
127 HA2 GLY 14 HA2 GLY 14 -3.595 10.629 -12.439
128 HA3 GLY 14 HA1 GLY 14 -3.401 11.491 -10.909
129 H ILE 15 HN ILE 15 -1.729 13.517 -11.625
130 HA ILE 15 HA ILE 15 -3.493 15.415 -12.838
131 HB ILE 15 HB ILE 15 -0.565 15.661 -12.065
132 HG12 ILE 15 HG12 ILE 15 -3.033 16.603 -10.526
133 HG13 ILE 15 HG11 ILE 15 -2.235 15.071 -10.198
134 HG21 ILE 15 HG21 ILE 15 -1.137 17.460 -13.619
135 HG22 ILE 15 HG22 ILE 15 -1.115 18.148 -12.005
136 HG23 ILE 15 HG23 ILE 15 -2.655 17.769 -12.775
137 HD11 ILE 15 HD11 ILE 15 -1.471 16.908 -8.702
138 HD12 ILE 15 HD12 ILE 15 -0.833 17.758 -10.098
139 HD13 ILE 15 HD13 ILE 15 -0.161 16.193 -9.636
140 H VAL 16 HN VAL 16 -0.543 13.702 -13.907
141 HA VAL 16 HA VAL 16 -0.003 15.189 -16.169
142 HB VAL 16 HB VAL 16 1.312 13.191 -15.170
143 HG11 VAL 16 HG11 VAL 16 0.931 10.991 -16.092
144 HG12 VAL 16 HG12 VAL 16 -0.359 11.576 -17.135
145 HG13 VAL 16 HG13 VAL 16 -0.575 11.562 -15.390
146 HG21 VAL 16 HG21 VAL 16 2.073 14.385 -17.194
147 HG22 VAL 16 HG22 VAL 16 1.016 13.389 -18.195
148 HG23 VAL 16 HG23 VAL 16 2.385 12.657 -17.354
149 H ARG 17 HN ARG 17 -2.318 12.547 -15.800
150 HA ARG 17 HA ARG 17 -3.248 12.495 -18.487
151 HB2 ARG 17 HB2 ARG 17 -3.590 10.600 -16.991
152 HB3 ARG 17 HB1 ARG 17 -4.480 11.608 -15.859
153 HG2 ARG 17 HG2 ARG 17 -5.966 10.162 -17.241
154 HG3 ARG 17 HG1 ARG 17 -6.327 11.865 -17.450
155 HD2 ARG 17 HD2 ARG 17 -5.251 11.909 -19.611
156 HD3 ARG 17 HD1 ARG 17 -4.514 10.323 -19.351
157 HE ARG 17 HE ARG 17 -7.235 9.886 -19.153
158 HH11 ARG 17 HH21 ARG 17 -5.069 11.203 -21.530
159 HH12 ARG 17 HH22 ARG 17 -6.056 10.742 -22.876
160 HH21 ARG 17 HH11 ARG 17 -8.531 9.302 -20.929
161 HH22 ARG 17 HH12 ARG 17 -8.015 9.692 -22.535
162 H ALA 18 HN ALA 18 -4.260 14.216 -15.540
163 HA ALA 18 HA ALA 18 -6.642 15.330 -16.496
164 HB1 ALA 18 HB1 ALA 18 -5.916 15.371 -14.117
165 HB2 ALA 18 HB2 ALA 18 -6.453 16.949 -14.695
166 HB3 ALA 18 HB3 ALA 18 -4.735 16.612 -14.528
167 H MET 19 HN MET 19 -3.314 16.519 -16.770
168 HA MET 19 HA MET 19 -3.855 19.054 -17.859
169 HB2 MET 19 HB2 MET 19 -1.523 17.123 -18.022
170 HB3 MET 19 HB1 MET 19 -1.479 18.690 -18.787
171 HG2 MET 19 HG2 MET 19 -1.876 19.782 -16.600
172 HG3 MET 19 HG1 MET 19 -1.944 18.197 -15.840
173 HE1 MET 19 HE1 MET 19 1.689 20.425 -17.500
174 HE2 MET 19 HE2 MET 19 -0.013 20.745 -17.800
175 HE3 MET 19 HE3 MET 19 0.812 19.480 -18.706
176 H LEU 20 HN LEU 20 -2.908 16.036 -19.469
177 HA LEU 20 HA LEU 20 -3.294 16.949 -22.131
178 HB2 LEU 20 HB2 LEU 20 -3.342 14.178 -20.927
179 HB3 LEU 20 HB1 LEU 20 -3.361 14.474 -22.650
180 HG LEU 20 HG LEU 20 -1.164 15.427 -20.769
181 HD11 LEU 20 HD11 LEU 20 -1.258 12.989 -22.587
182 HD12 LEU 20 HD12 LEU 20 -1.162 12.995 -20.826
183 HD13 LEU 20 HD13 LEU 20 0.198 13.580 -21.783
184 HD21 LEU 20 HD21 LEU 20 -1.002 16.828 -22.657
185 HD22 LEU 20 HD22 LEU 20 -1.552 15.584 -23.778
186 HD23 LEU 20 HD23 LEU 20 0.076 15.519 -23.109
187 H GLY 21 HN GLY 21 -5.302 15.322 -19.806
188 HA2 GLY 21 HA2 GLY 21 -7.554 14.787 -21.435
189 HA3 GLY 21 HA1 GLY 21 -7.578 14.936 -19.677
190 H SER 22 HN SER 22 -6.383 17.655 -19.855
191 HA SER 22 HA SER 22 -8.771 19.186 -19.815
192 HB2 SER 22 HB2 SER 22 -6.454 19.676 -18.719
193 HB3 SER 22 HB1 SER 22 -6.039 20.416 -20.260
194 HG SER 22 HG SER 22 -7.635 21.329 -18.271
195 H PHE 23 HN PHE 23 -6.231 18.732 -22.231
196 HA PHE 23 HA PHE 23 -7.640 20.368 -24.242
197 HB2 PHE 23 HB2 PHE 23 -5.146 20.532 -23.947
198 HB3 PHE 23 HB1 PHE 23 -5.007 18.848 -24.444
199 HD1 PHE 23 HD2 PHE 23 -5.557 18.154 -26.779
200 HD2 PHE 23 HD1 PHE 23 -5.718 22.290 -25.589
201 HE1 PHE 23 HE2 PHE 23 -5.639 18.843 -29.158
202 HE2 PHE 23 HE1 PHE 23 -5.794 22.966 -27.970
203 HZ PHE 23 HZ PHE 23 -5.759 21.248 -29.752
204 H ARG 24 HN ARG 24 -9.068 19.429 -25.539
205 HA ARG 24 HA ARG 24 -9.172 16.490 -25.864
206 HB2 ARG 24 HB2 ARG 24 -11.153 18.654 -26.661
207 HB3 ARG 24 HB1 ARG 24 -11.418 16.912 -26.774
208 HG2 ARG 24 HG2 ARG 24 -11.131 16.705 -24.326
209 HG3 ARG 24 HG1 ARG 24 -10.871 18.445 -24.207
210 HD2 ARG 24 HD2 ARG 24 -13.401 17.153 -25.290
211 HD3 ARG 24 HD1 ARG 24 -13.218 17.789 -23.656
212 HE ARG 24 HE ARG 24 -12.506 19.803 -25.511
213 HH11 ARG 24 HH21 ARG 24 -15.268 18.039 -24.352
214 HH12 ARG 24 HH22 ARG 24 -16.390 19.305 -24.715
215 HH21 ARG 24 HH11 ARG 24 -13.980 21.443 -25.995
216 HH22 ARG 24 HH12 ARG 24 -15.664 21.227 -25.652
217 H LYS 25 HN LYS 25 -8.934 15.478 -27.809
218 HA LYS 25 HA LYS 25 -7.396 16.697 -29.846
219 HB2 LYS 25 HB2 LYS 25 -7.452 14.248 -29.339
220 HB3 LYS 25 HB1 LYS 25 -9.075 14.168 -30.017
221 HG2 LYS 25 HG2 LYS 25 -8.222 14.917 -32.209
222 HG3 LYS 25 HG1 LYS 25 -6.598 15.063 -31.534
223 HD2 LYS 25 HD2 LYS 25 -6.588 12.642 -31.033
224 HD3 LYS 25 HD1 LYS 25 -8.211 12.492 -31.711
225 HE2 LYS 25 HE2 LYS 25 -6.572 11.817 -33.398
226 HE3 LYS 25 HE1 LYS 25 -7.309 13.339 -33.905
227 HZ1 LYS 25 HZ1 LYS 25 -5.422 14.537 -33.098
228 HZ2 LYS 25 HZ2 LYS 25 -4.854 13.283 -34.097
229 HZ3 LYS 25 HZ3 LYS 25 -4.756 13.141 -32.407
230 H ASP 26 HN ASP 26 -10.862 16.063 -29.511
231 HA ASP 26 HA ASP 26 -11.560 18.184 -31.319
232 HB2 ASP 26 HB2 ASP 26 -10.929 16.423 -32.959
233 HB3 ASP 26 HB1 ASP 26 -12.124 15.345 -32.244
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 13.320 7.344 -4.488
2 H2 MET 1 HT2 MET 1 13.628 5.791 -3.872
3 H3 MET 1 HT3 MET 1 13.400 7.099 -2.812
4 HA MET 1 HA MET 1 11.099 7.329 -3.771
5 HB2 MET 1 HB2 MET 1 11.916 4.599 -4.843
6 HB3 MET 1 HB1 MET 1 10.261 5.191 -4.812
7 HG2 MET 1 HG2 MET 1 10.882 7.084 -6.257
8 HG3 MET 1 HG1 MET 1 12.561 6.550 -6.252
9 HE1 MET 1 HE1 MET 1 9.237 6.427 -8.033
10 HE2 MET 1 HE2 MET 1 8.917 5.186 -6.827
11 HE3 MET 1 HE3 MET 1 9.010 4.745 -8.527
12 H LYS 2 HN LYS 2 11.554 7.456 -1.395
13 HA LYS 2 HA LYS 2 11.744 5.239 0.301
14 HB2 LYS 2 HB2 LYS 2 12.148 7.588 0.959
15 HB3 LYS 2 HB1 LYS 2 10.422 7.913 0.842
16 HG2 LYS 2 HG2 LYS 2 9.955 6.298 2.637
17 HG3 LYS 2 HG1 LYS 2 11.659 5.846 2.706
18 HD2 LYS 2 HD2 LYS 2 12.235 8.165 3.367
19 HD3 LYS 2 HD1 LYS 2 10.527 8.601 3.308
20 HE2 LYS 2 HE2 LYS 2 10.035 6.949 5.069
21 HE3 LYS 2 HE1 LYS 2 11.738 6.490 5.127
22 HZ1 LYS 2 HZ1 LYS 2 10.981 9.310 5.472
23 HZ2 LYS 2 HZ2 LYS 2 12.335 8.477 6.075
24 HZ3 LYS 2 HZ3 LYS 2 10.805 8.239 6.776
25 H PHE 3 HN PHE 3 8.780 7.208 0.252
26 HA PHE 3 HA PHE 3 7.035 4.969 -0.356
27 HB2 PHE 3 HB2 PHE 3 7.593 4.460 1.971
28 HB3 PHE 3 HB1 PHE 3 7.128 6.086 2.456
29 HD1 PHE 3 HD2 PHE 3 5.848 2.872 1.044
30 HD2 PHE 3 HD1 PHE 3 4.772 6.667 2.769
31 HE1 PHE 3 HE2 PHE 3 3.495 2.123 1.246
32 HE2 PHE 3 HE1 PHE 3 2.425 5.909 2.964
33 HZ PHE 3 HZ PHE 3 1.784 3.639 2.204
34 H TYR 4 HN TYR 4 7.234 8.199 1.186
35 HA TYR 4 HA TYR 4 4.601 9.003 0.476
36 HB2 TYR 4 HB2 TYR 4 5.296 11.247 1.076
37 HB3 TYR 4 HB1 TYR 4 6.019 10.122 2.219
38 HD1 TYR 4 HD2 TYR 4 8.462 9.591 2.118
39 HD2 TYR 4 HD1 TYR 4 6.689 12.473 -0.541
40 HE1 TYR 4 HE2 TYR 4 10.716 10.443 1.526
41 HE2 TYR 4 HE1 TYR 4 8.939 13.316 -1.127
42 HH TYR 4 HH TYR 4 11.175 12.794 -1.046
43 H THR 5 HN THR 5 7.600 8.856 -1.205
44 HA THR 5 HA THR 5 7.103 10.623 -3.354
45 HB THR 5 HB THR 5 8.780 8.092 -3.237
46 HG1 THR 5 HG1 THR 5 10.096 9.277 -2.148
47 HG21 THR 5 HG21 THR 5 8.488 8.723 -5.563
48 HG22 THR 5 HG22 THR 5 10.084 9.271 -5.056
49 HG23 THR 5 HG23 THR 5 8.761 10.426 -5.185
50 H ILE 6 HN ILE 6 6.445 7.179 -2.860
51 HA ILE 6 HA ILE 6 5.386 6.620 -5.433
52 HB ILE 6 HB ILE 6 4.988 5.259 -2.732
53 HG12 ILE 6 HG12 ILE 6 6.447 3.506 -3.761
54 HG13 ILE 6 HG11 ILE 6 6.586 4.488 -5.210
55 HG21 ILE 6 HG21 ILE 6 2.998 4.670 -4.012
56 HG22 ILE 6 HG22 ILE 6 4.093 3.301 -4.150
57 HG23 ILE 6 HG23 ILE 6 3.941 4.443 -5.485
58 HD11 ILE 6 HD11 ILE 6 8.007 6.007 -4.205
59 HD12 ILE 6 HD12 ILE 6 8.453 4.537 -3.347
60 HD13 ILE 6 HD13 ILE 6 7.397 5.704 -2.581
61 H LYS 7 HN LYS 7 3.889 7.647 -2.376
62 HA LYS 7 HA LYS 7 1.202 7.537 -3.171
63 HB2 LYS 7 HB2 LYS 7 1.944 7.881 -0.841
64 HB3 LYS 7 HB1 LYS 7 2.557 9.474 -1.267
65 HG2 LYS 7 HG2 LYS 7 0.285 10.233 -1.837
66 HG3 LYS 7 HG1 LYS 7 -0.339 8.623 -1.506
67 HD2 LYS 7 HD2 LYS 7 0.371 8.834 0.852
68 HD3 LYS 7 HD1 LYS 7 1.017 10.439 0.512
69 HE2 LYS 7 HE2 LYS 7 -1.232 11.225 -0.120
70 HE3 LYS 7 HE1 LYS 7 -1.890 9.617 0.200
71 HZ1 LYS 7 HZ1 LYS 7 -1.148 9.828 2.501
72 HZ2 LYS 7 HZ2 LYS 7 -2.233 11.065 2.083
73 HZ3 LYS 7 HZ3 LYS 7 -0.569 11.391 2.184
74 H LEU 8 HN LEU 8 3.479 10.241 -3.254
75 HA LEU 8 HA LEU 8 1.733 12.069 -4.501
76 HB2 LEU 8 HB2 LEU 8 3.941 12.508 -3.194
77 HB3 LEU 8 HB1 LEU 8 4.760 12.178 -4.706
78 HG LEU 8 HG LEU 8 3.289 13.979 -5.781
79 HD11 LEU 8 HD11 LEU 8 2.455 14.380 -2.881
80 HD12 LEU 8 HD12 LEU 8 1.445 14.344 -4.324
81 HD13 LEU 8 HD13 LEU 8 2.451 15.738 -4.003
82 HD21 LEU 8 HD21 LEU 8 5.124 14.864 -3.530
83 HD22 LEU 8 HD22 LEU 8 4.645 15.850 -4.911
84 HD23 LEU 8 HD23 LEU 8 5.637 14.413 -5.157
85 H ALA 9 HN ALA 9 4.149 9.831 -5.721
86 HA ALA 9 HA ALA 9 4.241 10.634 -8.364
87 HB1 ALA 9 HB1 ALA 9 5.735 8.909 -7.437
88 HB2 ALA 9 HB2 ALA 9 4.955 8.344 -8.912
89 HB3 ALA 9 HB3 ALA 9 4.377 7.788 -7.341
90 H LYS 10 HN LYS 10 1.954 8.409 -6.809
91 HA LYS 10 HA LYS 10 0.459 7.744 -9.147
92 HB2 LYS 10 HB2 LYS 10 -0.204 7.732 -6.188
93 HB3 LYS 10 HB1 LYS 10 -1.324 7.142 -7.400
94 HG2 LYS 10 HG2 LYS 10 0.477 5.529 -8.179
95 HG3 LYS 10 HG1 LYS 10 1.444 6.034 -6.799
96 HD2 LYS 10 HD2 LYS 10 -1.347 4.829 -6.593
97 HD3 LYS 10 HD1 LYS 10 0.141 3.913 -6.402
98 HE2 LYS 10 HE2 LYS 10 0.757 5.537 -4.510
99 HE3 LYS 10 HE1 LYS 10 -0.910 6.111 -4.591
100 HZ1 LYS 10 HZ1 LYS 10 -0.253 4.158 -3.025
101 HZ2 LYS 10 HZ2 LYS 10 -0.411 3.228 -4.437
102 HZ3 LYS 10 HZ3 LYS 10 -1.730 4.131 -3.860
103 H PHE 11 HN PHE 11 0.065 10.218 -6.655
104 HA PHE 11 HA PHE 11 -2.351 11.362 -7.524
105 HB2 PHE 11 HB2 PHE 11 -1.257 11.873 -5.379
106 HB3 PHE 11 HB1 PHE 11 0.044 12.680 -6.214
107 HD1 PHE 11 HD1 PHE 11 -3.715 12.731 -6.035
108 HD2 PHE 11 HD2 PHE 11 -0.107 15.075 -6.415
109 HE1 PHE 11 HE1 PHE 11 -5.047 14.814 -5.965
110 HE2 PHE 11 HE2 PHE 11 -1.461 17.144 -6.345
111 HZ PHE 11 HZ PHE 11 -3.926 17.016 -6.119
112 H LEU 12 HN LEU 12 0.992 12.137 -8.312
113 HA LEU 12 HA LEU 12 0.462 14.164 -10.262
114 HB2 LEU 12 HB2 LEU 12 2.838 12.326 -9.852
115 HB3 LEU 12 HB1 LEU 12 2.842 13.684 -10.973
116 HG LEU 12 HG LEU 12 2.293 13.987 -7.989
117 HD11 LEU 12 HD11 LEU 12 4.621 14.790 -7.785
118 HD12 LEU 12 HD12 LEU 12 4.900 14.412 -9.484
119 HD13 LEU 12 HD13 LEU 12 4.575 13.116 -8.334
120 HD21 LEU 12 HD21 LEU 12 1.444 15.923 -9.075
121 HD22 LEU 12 HD22 LEU 12 2.769 15.978 -10.235
122 HD23 LEU 12 HD23 LEU 12 3.044 16.414 -8.552
123 H GLY 13 HN GLY 13 0.954 10.668 -10.415
124 HA2 GLY 13 HA2 GLY 13 0.978 10.414 -13.229
125 HA3 GLY 13 HA1 GLY 13 0.612 9.143 -12.099
126 H GLY 14 HN GLY 14 -1.559 11.047 -11.021
127 HA2 GLY 14 HA2 GLY 14 -3.725 10.047 -12.726
128 HA3 GLY 14 HA1 GLY 14 -3.887 10.959 -11.223
129 H ILE 15 HN ILE 15 -2.301 13.086 -11.676
130 HA ILE 15 HA ILE 15 -3.939 14.841 -13.214
131 HB ILE 15 HB ILE 15 -1.237 15.199 -11.861
132 HG12 ILE 15 HG12 ILE 15 -3.999 16.146 -10.953
133 HG13 ILE 15 HG11 ILE 15 -3.284 14.628 -10.417
134 HG21 ILE 15 HG21 ILE 15 -1.818 17.692 -11.980
135 HG22 ILE 15 HG22 ILE 15 -3.108 17.268 -13.101
136 HG23 ILE 15 HG23 ILE 15 -1.427 16.968 -13.534
137 HD11 ILE 15 HD11 ILE 15 -1.390 15.801 -9.443
138 HD12 ILE 15 HD12 ILE 15 -2.893 16.474 -8.811
139 HD13 ILE 15 HD13 ILE 15 -1.992 17.347 -10.043
140 H VAL 16 HN VAL 16 -0.703 13.407 -13.715
141 HA VAL 16 HA VAL 16 0.089 14.937 -15.858
142 HB VAL 16 HB VAL 16 1.394 13.075 -14.605
143 HG11 VAL 16 HG11 VAL 16 1.426 10.857 -15.557
144 HG12 VAL 16 HG12 VAL 16 0.316 11.315 -16.844
145 HG13 VAL 16 HG13 VAL 16 -0.241 11.263 -15.180
146 HG21 VAL 16 HG21 VAL 16 1.648 13.272 -17.633
147 HG22 VAL 16 HG22 VAL 16 2.908 12.686 -16.543
148 HG23 VAL 16 HG23 VAL 16 2.387 14.368 -16.465
149 H ARG 17 HN ARG 17 -1.945 12.048 -15.903
150 HA ARG 17 HA ARG 17 -2.302 11.937 -18.717
151 HB2 ARG 17 HB2 ARG 17 -2.688 10.021 -17.190
152 HB3 ARG 17 HB1 ARG 17 -4.029 10.883 -16.457
153 HG2 ARG 17 HG2 ARG 17 -4.908 9.271 -18.039
154 HG3 ARG 17 HG1 ARG 17 -5.208 10.877 -18.678
155 HD2 ARG 17 HD2 ARG 17 -4.340 9.170 -20.370
156 HD3 ARG 17 HD1 ARG 17 -3.414 10.659 -20.295
157 HE ARG 17 HE ARG 17 -2.356 8.655 -18.525
158 HH11 ARG 17 HH21 ARG 17 -2.511 9.678 -21.840
159 HH12 ARG 17 HH22 ARG 17 -1.024 8.909 -22.285
160 HH21 ARG 17 HH11 ARG 17 -0.417 7.644 -19.115
161 HH22 ARG 17 HH12 ARG 17 0.159 7.759 -20.744
162 H ALA 18 HN ALA 18 -4.025 13.484 -16.042
163 HA ALA 18 HA ALA 18 -6.315 14.326 -17.425
164 HB1 ALA 18 HB1 ALA 18 -6.707 15.832 -15.590
165 HB2 ALA 18 HB2 ALA 18 -5.000 15.840 -15.153
166 HB3 ALA 18 HB3 ALA 18 -5.960 14.381 -14.919
167 H MET 19 HN MET 19 -3.159 15.866 -17.013
168 HA MET 19 HA MET 19 -3.722 18.360 -18.174
169 HB2 MET 19 HB2 MET 19 -1.243 16.657 -17.821
170 HB3 MET 19 HB1 MET 19 -1.161 18.205 -18.616
171 HG2 MET 19 HG2 MET 19 -2.063 19.312 -16.610
172 HG3 MET 19 HG1 MET 19 -2.234 17.747 -15.823
173 HE1 MET 19 HE1 MET 19 1.050 19.045 -18.055
174 HE2 MET 19 HE2 MET 19 1.578 20.099 -16.751
175 HE3 MET 19 HE3 MET 19 -0.026 20.308 -17.439
176 H LEU 20 HN LEU 20 -2.289 15.440 -19.557
177 HA LEU 20 HA LEU 20 -2.006 16.365 -22.208
178 HB2 LEU 20 HB2 LEU 20 -2.414 13.582 -21.110
179 HB3 LEU 20 HB1 LEU 20 -1.950 13.906 -22.761
180 HG LEU 20 HG LEU 20 -0.349 14.768 -20.322
181 HD11 LEU 20 HD11 LEU 20 -0.386 12.328 -20.491
182 HD12 LEU 20 HD12 LEU 20 1.207 12.928 -20.946
183 HD13 LEU 20 HD13 LEU 20 0.071 12.409 -22.192
184 HD21 LEU 20 HD21 LEU 20 1.494 14.909 -22.212
185 HD22 LEU 20 HD22 LEU 20 0.342 16.217 -22.047
186 HD23 LEU 20 HD23 LEU 20 0.119 15.014 -23.312
187 H GLY 21 HN GLY 21 -4.564 14.654 -20.553
188 HA2 GLY 21 HA2 GLY 21 -6.298 14.286 -22.791
189 HA3 GLY 21 HA1 GLY 21 -6.772 14.228 -21.093
190 H SER 22 HN SER 22 -5.761 16.848 -20.485
191 HA SER 22 HA SER 22 -8.095 18.415 -21.147
192 HB2 SER 22 HB2 SER 22 -6.972 18.624 -18.965
193 HB3 SER 22 HB1 SER 22 -5.529 19.240 -19.761
194 HG SER 22 HG SER 22 -8.099 20.396 -19.566
195 H PHE 23 HN PHE 23 -4.843 18.153 -22.406
196 HA PHE 23 HA PHE 23 -4.605 20.644 -23.671
197 HB2 PHE 23 HB2 PHE 23 -2.752 19.005 -23.415
198 HB3 PHE 23 HB1 PHE 23 -3.513 17.973 -24.623
199 HD1 PHE 23 HD1 PHE 23 -1.804 21.229 -24.062
200 HD2 PHE 23 HD2 PHE 23 -3.467 18.571 -27.011
201 HE1 PHE 23 HE1 PHE 23 -0.742 22.556 -25.865
202 HE2 PHE 23 HE2 PHE 23 -2.398 19.902 -28.805
203 HZ PHE 23 HZ PHE 23 -1.036 21.893 -28.234
204 H ARG 24 HN ARG 24 -5.941 17.579 -24.923
205 HA ARG 24 HA ARG 24 -7.003 18.980 -27.322
206 HB2 ARG 24 HB2 ARG 24 -7.297 16.714 -28.240
207 HB3 ARG 24 HB1 ARG 24 -5.628 17.004 -27.757
208 HG2 ARG 24 HG2 ARG 24 -6.054 15.794 -25.621
209 HG3 ARG 24 HG1 ARG 24 -7.701 15.458 -26.150
210 HD2 ARG 24 HD2 ARG 24 -6.833 14.244 -28.116
211 HD3 ARG 24 HD1 ARG 24 -5.184 14.554 -27.572
212 HE ARG 24 HE ARG 24 -6.518 13.321 -25.449
213 HH11 ARG 24 HH21 ARG 24 -5.595 12.595 -28.720
214 HH12 ARG 24 HH22 ARG 24 -5.442 10.894 -28.435
215 HH21 ARG 24 HH11 ARG 24 -6.314 11.098 -25.088
216 HH22 ARG 24 HH12 ARG 24 -5.849 10.048 -26.385
217 H LYS 25 HN LYS 25 -9.156 19.108 -27.738
218 HA LYS 25 HA LYS 25 -11.022 18.943 -25.605
219 HB2 LYS 25 HB2 LYS 25 -11.438 19.130 -28.609
220 HB3 LYS 25 HB1 LYS 25 -12.714 19.339 -27.412
221 HG2 LYS 25 HG2 LYS 25 -11.539 21.267 -26.438
222 HG3 LYS 25 HG1 LYS 25 -10.180 21.017 -27.527
223 HD2 LYS 25 HD2 LYS 25 -11.413 22.790 -28.549
224 HD3 LYS 25 HD1 LYS 25 -11.873 21.368 -29.476
225 HE2 LYS 25 HE2 LYS 25 -13.833 22.783 -28.914
226 HE3 LYS 25 HE1 LYS 25 -13.974 21.195 -28.175
227 HZ1 LYS 25 HZ1 LYS 25 -14.502 23.056 -26.661
228 HZ2 LYS 25 HZ2 LYS 25 -12.894 23.587 -26.792
229 HZ3 LYS 25 HZ3 LYS 25 -13.238 22.078 -26.094
230 H ASP 26 HN ASP 26 -10.329 16.829 -28.368
231 HA ASP 26 HA ASP 26 -12.415 14.964 -27.942
232 HB2 ASP 26 HB2 ASP 26 -11.097 15.155 -30.042
233 HB3 ASP 26 HB1 ASP 26 -9.693 14.498 -29.209
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 13.295 2.228 -0.078
2 H2 MET 1 HT2 MET 1 11.685 1.914 0.360
3 H3 MET 1 HT3 MET 1 12.623 2.991 1.279
4 HA MET 1 HA MET 1 12.829 4.326 -0.885
5 HB2 MET 1 HB2 MET 1 10.349 2.636 -1.379
6 HB3 MET 1 HB1 MET 1 10.832 4.021 -2.350
7 HG2 MET 1 HG2 MET 1 12.513 1.517 -1.968
8 HG3 MET 1 HG1 MET 1 11.503 1.826 -3.372
9 HE1 MET 1 HE1 MET 1 12.012 4.935 -4.258
10 HE2 MET 1 HE2 MET 1 11.836 3.414 -5.129
11 HE3 MET 1 HE3 MET 1 13.240 4.430 -5.421
12 H LYS 2 HN LYS 2 11.929 6.312 -0.514
13 HA LYS 2 HA LYS 2 10.493 6.761 1.912
14 HB2 LYS 2 HB2 LYS 2 11.047 8.588 -0.457
15 HB3 LYS 2 HB1 LYS 2 10.384 9.129 1.087
16 HG2 LYS 2 HG2 LYS 2 12.401 8.302 2.250
17 HG3 LYS 2 HG1 LYS 2 13.072 7.761 0.711
18 HD2 LYS 2 HD2 LYS 2 13.045 10.083 -0.129
19 HD3 LYS 2 HD1 LYS 2 12.367 10.634 1.404
20 HE2 LYS 2 HE2 LYS 2 14.375 9.824 2.590
21 HE3 LYS 2 HE1 LYS 2 15.057 9.267 1.061
22 HZ1 LYS 2 HZ1 LYS 2 15.960 11.296 1.002
23 HZ2 LYS 2 HZ2 LYS 2 14.870 11.941 2.134
24 HZ3 LYS 2 HZ3 LYS 2 14.426 11.815 0.499
25 H PHE 3 HN PHE 3 8.343 7.094 2.278
26 HA PHE 3 HA PHE 3 6.409 6.086 0.464
27 HB2 PHE 3 HB2 PHE 3 6.009 7.883 2.875
28 HB3 PHE 3 HB1 PHE 3 4.754 6.948 2.064
29 HD1 PHE 3 HD2 PHE 3 4.870 4.421 2.044
30 HD2 PHE 3 HD1 PHE 3 7.539 6.795 4.448
31 HE1 PHE 3 HE2 PHE 3 5.444 2.423 3.392
32 HE2 PHE 3 HE1 PHE 3 8.107 4.791 5.787
33 HZ PHE 3 HZ PHE 3 7.060 2.607 5.261
34 H TYR 4 HN TYR 4 7.864 9.170 0.901
35 HA TYR 4 HA TYR 4 5.926 10.873 -0.208
36 HB2 TYR 4 HB2 TYR 4 7.651 11.982 0.954
37 HB3 TYR 4 HB1 TYR 4 8.897 10.938 0.290
38 HD1 TYR 4 HD2 TYR 4 9.693 11.235 -2.038
39 HD2 TYR 4 HD1 TYR 4 6.991 14.041 -0.223
40 HE1 TYR 4 HE2 TYR 4 10.240 12.899 -3.795
41 HE2 TYR 4 HE1 TYR 4 7.534 15.704 -1.984
42 HH TYR 4 HH TYR 4 9.703 14.881 -4.682
43 H THR 5 HN THR 5 8.548 8.995 -1.702
44 HA THR 5 HA THR 5 8.264 9.996 -4.317
45 HB THR 5 HB THR 5 9.155 7.202 -3.516
46 HG1 THR 5 HG1 THR 5 11.021 8.065 -2.974
47 HG21 THR 5 HG21 THR 5 8.869 7.491 -5.941
48 HG22 THR 5 HG22 THR 5 10.581 7.413 -5.538
49 HG23 THR 5 HG23 THR 5 9.832 8.967 -5.893
50 H ILE 6 HN ILE 6 6.772 7.116 -2.790
51 HA ILE 6 HA ILE 6 5.306 6.311 -5.104
52 HB ILE 6 HB ILE 6 4.822 5.735 -2.145
53 HG12 ILE 6 HG12 ILE 6 5.606 3.328 -3.122
54 HG13 ILE 6 HG11 ILE 6 6.384 4.307 -4.354
55 HG21 ILE 6 HG21 ILE 6 3.383 3.814 -3.046
56 HG22 ILE 6 HG22 ILE 6 3.445 4.606 -4.618
57 HG23 ILE 6 HG23 ILE 6 2.685 5.418 -3.251
58 HD11 ILE 6 HD11 ILE 6 6.808 4.564 -1.359
59 HD12 ILE 6 HD12 ILE 6 7.636 5.506 -2.593
60 HD13 ILE 6 HD13 ILE 6 7.904 3.773 -2.486
61 H LYS 7 HN LYS 7 4.537 8.336 -2.303
62 HA LYS 7 HA LYS 7 1.831 8.820 -2.861
63 HB2 LYS 7 HB2 LYS 7 2.911 9.382 -0.726
64 HB3 LYS 7 HB1 LYS 7 3.888 10.605 -1.529
65 HG2 LYS 7 HG2 LYS 7 1.881 11.910 -2.083
66 HG3 LYS 7 HG1 LYS 7 0.860 10.650 -1.405
67 HD2 LYS 7 HD2 LYS 7 1.867 11.031 0.820
68 HD3 LYS 7 HD1 LYS 7 2.908 12.278 0.132
69 HE2 LYS 7 HE2 LYS 7 0.926 13.598 -0.507
70 HE3 LYS 7 HE1 LYS 7 -0.129 12.350 0.164
71 HZ1 LYS 7 HZ1 LYS 7 1.222 14.450 1.499
72 HZ2 LYS 7 HZ2 LYS 7 1.703 12.952 2.140
73 HZ3 LYS 7 HZ3 LYS 7 0.058 13.375 2.104
74 H LEU 8 HN LEU 8 4.690 10.771 -3.739
75 HA LEU 8 HA LEU 8 3.224 12.693 -5.198
76 HB2 LEU 8 HB2 LEU 8 5.623 12.897 -4.270
77 HB3 LEU 8 HB1 LEU 8 6.143 12.013 -5.693
78 HG LEU 8 HG LEU 8 4.980 13.781 -7.119
79 HD11 LEU 8 HD11 LEU 8 4.771 16.084 -5.763
80 HD12 LEU 8 HD12 LEU 8 4.465 15.013 -4.398
81 HD13 LEU 8 HD13 LEU 8 3.428 14.956 -5.819
82 HD21 LEU 8 HD21 LEU 8 6.776 15.449 -6.861
83 HD22 LEU 8 HD22 LEU 8 7.420 13.811 -6.748
84 HD23 LEU 8 HD23 LEU 8 7.189 14.770 -5.285
85 H ALA 9 HN ALA 9 4.934 9.765 -6.119
86 HA ALA 9 HA ALA 9 4.734 9.942 -8.878
87 HB1 ALA 9 HB1 ALA 9 4.470 7.451 -7.171
88 HB2 ALA 9 HB2 ALA 9 5.984 8.144 -7.757
89 HB3 ALA 9 HB3 ALA 9 4.826 7.466 -8.900
90 H LYS 10 HN LYS 10 2.421 8.793 -6.509
91 HA LYS 10 HA LYS 10 0.362 8.006 -8.316
92 HB2 LYS 10 HB2 LYS 10 0.725 7.385 -5.834
93 HB3 LYS 10 HB1 LYS 10 -0.030 8.918 -5.433
94 HG2 LYS 10 HG2 LYS 10 -2.061 8.249 -6.670
95 HG3 LYS 10 HG1 LYS 10 -1.308 6.718 -7.106
96 HD2 LYS 10 HD2 LYS 10 -1.828 7.623 -4.244
97 HD3 LYS 10 HD1 LYS 10 -2.869 6.529 -5.144
98 HE2 LYS 10 HE2 LYS 10 -0.716 5.050 -5.439
99 HE3 LYS 10 HE1 LYS 10 -0.068 6.002 -4.099
100 HZ1 LYS 10 HZ1 LYS 10 -2.635 4.518 -4.057
101 HZ2 LYS 10 HZ2 LYS 10 -1.962 5.396 -2.769
102 HZ3 LYS 10 HZ3 LYS 10 -1.187 3.997 -3.344
103 H PHE 11 HN PHE 11 1.116 11.012 -6.589
104 HA PHE 11 HA PHE 11 -1.222 12.460 -7.212
105 HB2 PHE 11 HB2 PHE 11 0.504 13.121 -5.543
106 HB3 PHE 11 HB1 PHE 11 1.606 13.490 -6.844
107 HD1 PHE 11 HD2 PHE 11 -1.918 14.286 -5.776
108 HD2 PHE 11 HD1 PHE 11 1.728 15.786 -7.540
109 HE1 PHE 11 HE2 PHE 11 -2.890 16.557 -5.882
110 HE2 PHE 11 HE1 PHE 11 0.734 18.050 -7.633
111 HZ PHE 11 HZ PHE 11 -1.569 18.438 -6.805
112 H LEU 12 HN LEU 12 1.938 12.372 -8.836
113 HA LEU 12 HA LEU 12 1.134 13.941 -11.105
114 HB2 LEU 12 HB2 LEU 12 3.390 11.906 -10.952
115 HB3 LEU 12 HB1 LEU 12 3.230 13.219 -12.120
116 HG LEU 12 HG LEU 12 3.593 13.564 -9.124
117 HD11 LEU 12 HD11 LEU 12 5.616 12.696 -10.225
118 HD12 LEU 12 HD12 LEU 12 5.856 14.367 -9.719
119 HD13 LEU 12 HD13 LEU 12 5.534 13.997 -11.413
120 HD21 LEU 12 HD21 LEU 12 2.409 15.490 -9.873
121 HD22 LEU 12 HD22 LEU 12 3.315 15.571 -11.383
122 HD23 LEU 12 HD23 LEU 12 4.091 15.993 -9.856
123 H GLY 13 HN GLY 13 1.318 10.476 -10.451
124 HA2 GLY 13 HA2 GLY 13 0.745 9.556 -13.041
125 HA3 GLY 13 HA1 GLY 13 0.494 8.660 -11.579
126 H GLY 14 HN GLY 14 -1.299 11.101 -10.789
127 HA2 GLY 14 HA2 GLY 14 -3.800 9.969 -11.908
128 HA3 GLY 14 HA1 GLY 14 -3.658 11.108 -10.565
129 H ILE 15 HN ILE 15 -2.014 12.999 -11.616
130 HA ILE 15 HA ILE 15 -3.791 14.590 -13.210
131 HB ILE 15 HB ILE 15 -0.908 15.056 -12.378
132 HG12 ILE 15 HG12 ILE 15 -3.457 16.151 -11.093
133 HG13 ILE 15 HG11 ILE 15 -2.640 14.715 -10.495
134 HG21 ILE 15 HG21 ILE 15 -3.030 16.953 -13.476
135 HG22 ILE 15 HG22 ILE 15 -1.483 16.558 -14.220
136 HG23 ILE 15 HG23 ILE 15 -1.524 17.499 -12.741
137 HD11 ILE 15 HD11 ILE 15 -0.580 16.004 -10.142
138 HD12 ILE 15 HD12 ILE 15 -1.931 16.703 -9.250
139 HD13 ILE 15 HD13 ILE 15 -1.381 17.457 -10.743
140 H VAL 16 HN VAL 16 -0.942 12.588 -13.891
141 HA VAL 16 HA VAL 16 -0.201 13.731 -16.328
142 HB VAL 16 HB VAL 16 1.052 11.885 -15.100
143 HG11 VAL 16 HG11 VAL 16 -0.980 10.410 -14.836
144 HG12 VAL 16 HG12 VAL 16 0.454 9.577 -15.420
145 HG13 VAL 16 HG13 VAL 16 -0.841 9.982 -16.535
146 HG21 VAL 16 HG21 VAL 16 1.658 12.555 -17.412
147 HG22 VAL 16 HG22 VAL 16 0.494 11.394 -18.053
148 HG23 VAL 16 HG23 VAL 16 1.911 10.825 -17.167
149 H ARG 17 HN ARG 17 -2.632 11.303 -15.598
150 HA ARG 17 HA ARG 17 -3.504 10.803 -18.254
151 HB2 ARG 17 HB2 ARG 17 -3.885 9.560 -15.876
152 HB3 ARG 17 HB1 ARG 17 -5.370 10.493 -15.880
153 HG2 ARG 17 HG2 ARG 17 -4.460 8.533 -18.029
154 HG3 ARG 17 HG1 ARG 17 -5.735 8.265 -16.846
155 HD2 ARG 17 HD2 ARG 17 -6.947 10.277 -17.829
156 HD3 ARG 17 HD1 ARG 17 -5.741 10.270 -19.114
157 HE ARG 17 HE ARG 17 -6.788 8.434 -20.047
158 HH11 ARG 17 HH21 ARG 17 -7.801 8.819 -16.748
159 HH12 ARG 17 HH22 ARG 17 -9.009 7.579 -16.835
160 HH21 ARG 17 HH11 ARG 17 -8.369 6.815 -20.155
161 HH22 ARG 17 HH12 ARG 17 -9.329 6.447 -18.761
162 H ALA 18 HN ALA 18 -4.520 13.038 -15.686
163 HA ALA 18 HA ALA 18 -6.826 14.074 -16.874
164 HB1 ALA 18 HB1 ALA 18 -6.098 14.472 -14.515
165 HB2 ALA 18 HB2 ALA 18 -6.606 15.942 -15.348
166 HB3 ALA 18 HB3 ALA 18 -4.892 15.607 -15.118
167 H MET 19 HN MET 19 -3.440 15.060 -17.263
168 HA MET 19 HA MET 19 -3.839 17.411 -18.735
169 HB2 MET 19 HB2 MET 19 -1.629 15.346 -18.573
170 HB3 MET 19 HB1 MET 19 -1.479 16.752 -19.593
171 HG2 MET 19 HG2 MET 19 -1.806 18.223 -17.632
172 HG3 MET 19 HG1 MET 19 -1.975 16.798 -16.609
173 HE1 MET 19 HE1 MET 19 1.469 18.412 -15.695
174 HE2 MET 19 HE2 MET 19 -0.258 18.359 -15.354
175 HE3 MET 19 HE3 MET 19 0.348 19.402 -16.638
176 H LEU 20 HN LEU 20 -3.074 14.140 -19.879
177 HA LEU 20 HA LEU 20 -3.387 14.665 -22.649
178 HB2 LEU 20 HB2 LEU 20 -3.694 12.102 -21.072
179 HB3 LEU 20 HB1 LEU 20 -3.605 12.168 -22.815
180 HG LEU 20 HG LEU 20 -1.430 13.139 -20.923
181 HD11 LEU 20 HD11 LEU 20 -0.192 11.110 -21.633
182 HD12 LEU 20 HD12 LEU 20 -1.589 10.593 -22.577
183 HD13 LEU 20 HD13 LEU 20 -1.700 10.691 -20.819
184 HD21 LEU 20 HD21 LEU 20 -1.077 14.342 -22.923
185 HD22 LEU 20 HD22 LEU 20 -1.637 13.025 -23.949
186 HD23 LEU 20 HD23 LEU 20 -0.061 12.933 -23.168
187 H GLY 21 HN GLY 21 -5.532 13.490 -20.160
188 HA2 GLY 21 HA2 GLY 21 -7.812 12.981 -21.792
189 HA3 GLY 21 HA1 GLY 21 -7.827 13.243 -20.049
190 H SER 22 HN SER 22 -6.434 15.822 -20.356
191 HA SER 22 HA SER 22 -8.793 17.516 -20.756
192 HB2 SER 22 HB2 SER 22 -5.989 18.045 -19.748
193 HB3 SER 22 HB1 SER 22 -7.190 19.322 -19.950
194 HG SER 22 HG SER 22 -6.945 17.448 -18.006
195 H PHE 23 HN PHE 23 -6.129 16.455 -22.631
196 HA PHE 23 HA PHE 23 -5.850 18.807 -24.295
197 HB2 PHE 23 HB2 PHE 23 -4.022 17.164 -23.988
198 HB3 PHE 23 HB1 PHE 23 -5.000 15.944 -24.794
199 HD1 PHE 23 HD2 PHE 23 -3.721 19.446 -25.306
200 HD2 PHE 23 HD1 PHE 23 -4.731 15.704 -27.188
201 HE1 PHE 23 HE2 PHE 23 -2.901 20.305 -27.476
202 HE2 PHE 23 HE1 PHE 23 -3.908 16.578 -29.351
203 HZ PHE 23 HZ PHE 23 -2.994 18.876 -29.497
204 H ARG 24 HN ARG 24 -8.490 18.311 -24.105
205 HA ARG 24 HA ARG 24 -9.712 16.667 -26.003
206 HB2 ARG 24 HB2 ARG 24 -11.630 18.286 -25.846
207 HB3 ARG 24 HB1 ARG 24 -11.016 17.768 -24.275
208 HG2 ARG 24 HG2 ARG 24 -9.689 19.834 -24.084
209 HG3 ARG 24 HG1 ARG 24 -10.257 20.369 -25.662
210 HD2 ARG 24 HD2 ARG 24 -12.032 19.812 -23.263
211 HD3 ARG 24 HD1 ARG 24 -11.541 21.416 -23.804
212 HE ARG 24 HE ARG 24 -13.549 19.698 -25.024
213 HH11 ARG 24 HH21 ARG 24 -11.362 22.356 -25.482
214 HH12 ARG 24 HH22 ARG 24 -12.246 23.026 -26.812
215 HH21 ARG 24 HH11 ARG 24 -14.700 20.578 -26.766
216 HH22 ARG 24 HH12 ARG 24 -14.132 22.021 -27.538
217 H LYS 25 HN LYS 25 -11.208 18.036 -27.744
218 HA LYS 25 HA LYS 25 -9.437 18.582 -29.908
219 HB2 LYS 25 HB2 LYS 25 -12.402 19.151 -29.572
220 HB3 LYS 25 HB1 LYS 25 -11.526 19.270 -31.100
221 HG2 LYS 25 HG2 LYS 25 -10.922 16.880 -30.948
222 HG3 LYS 25 HG1 LYS 25 -11.789 16.754 -29.417
223 HD2 LYS 25 HD2 LYS 25 -13.893 17.404 -30.564
224 HD3 LYS 25 HD1 LYS 25 -13.020 17.495 -32.094
225 HE2 LYS 25 HE2 LYS 25 -13.306 15.008 -30.376
226 HE3 LYS 25 HE1 LYS 25 -14.187 15.330 -31.869
227 HZ1 LYS 25 HZ1 LYS 25 -11.575 15.734 -32.533
228 HZ2 LYS 25 HZ2 LYS 25 -12.494 14.352 -32.894
229 HZ3 LYS 25 HZ3 LYS 25 -11.513 14.385 -31.508
230 H ASP 26 HN ASP 26 -8.813 20.515 -30.831
231 HA ASP 26 HA ASP 26 -8.449 22.758 -29.174
232 HB2 ASP 26 HB2 ASP 26 -7.682 23.901 -31.215
233 HB3 ASP 26 HB1 ASP 26 -7.017 22.274 -31.111
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 15.230 4.415 -2.342
2 H2 MET 1 HT2 MET 1 14.256 4.982 -1.070
3 H3 MET 1 HT3 MET 1 15.591 5.893 -1.594
4 HA MET 1 HA MET 1 14.539 6.752 -3.351
5 HB2 MET 1 HB2 MET 1 12.757 5.475 -4.608
6 HB3 MET 1 HB1 MET 1 14.326 4.679 -4.570
7 HG2 MET 1 HG2 MET 1 12.742 2.943 -4.116
8 HG3 MET 1 HG1 MET 1 13.426 3.335 -2.548
9 HE1 MET 1 HE1 MET 1 10.733 4.240 -5.095
10 HE2 MET 1 HE2 MET 1 9.242 4.244 -4.170
11 HE3 MET 1 HE3 MET 1 10.111 2.735 -4.412
12 H LYS 2 HN LYS 2 13.464 5.902 -0.411
13 HA LYS 2 HA LYS 2 11.885 6.648 1.048
14 HB2 LYS 2 HB2 LYS 2 11.718 8.923 -0.951
15 HB3 LYS 2 HB1 LYS 2 11.056 8.950 0.683
16 HG2 LYS 2 HG2 LYS 2 13.304 8.600 1.625
17 HG3 LYS 2 HG1 LYS 2 13.985 8.545 -0.002
18 HD2 LYS 2 HD2 LYS 2 13.215 10.854 -0.412
19 HD3 LYS 2 HD1 LYS 2 12.526 10.920 1.209
20 HE2 LYS 2 HE2 LYS 2 14.786 10.570 2.171
21 HE3 LYS 2 HE1 LYS 2 15.461 10.533 0.541
22 HZ1 LYS 2 HZ1 LYS 2 14.972 12.765 2.105
23 HZ2 LYS 2 HZ2 LYS 2 13.821 12.806 0.856
24 HZ3 LYS 2 HZ3 LYS 2 15.477 12.730 0.486
25 H PHE 3 HN PHE 3 9.738 6.497 1.539
26 HA PHE 3 HA PHE 3 8.026 5.166 -0.346
27 HB2 PHE 3 HB2 PHE 3 7.359 6.275 2.403
28 HB3 PHE 3 HB1 PHE 3 6.405 5.113 1.481
29 HD1 PHE 3 HD1 PHE 3 7.474 2.874 0.814
30 HD2 PHE 3 HD2 PHE 3 9.216 5.485 3.766
31 HE1 PHE 3 HE1 PHE 3 8.852 1.002 1.671
32 HE2 PHE 3 HE2 PHE 3 10.586 3.603 4.610
33 HZ PHE 3 HZ PHE 3 10.405 1.367 3.566
34 H TYR 4 HN TYR 4 8.178 8.501 0.896
35 HA TYR 4 HA TYR 4 5.669 9.401 0.155
36 HB2 TYR 4 HB2 TYR 4 6.460 11.506 0.696
37 HB3 TYR 4 HB1 TYR 4 7.885 10.624 1.214
38 HD1 TYR 4 HD1 TYR 4 6.379 12.470 -1.677
39 HD2 TYR 4 HD2 TYR 4 10.018 11.034 0.106
40 HE1 TYR 4 HE1 TYR 4 7.700 13.745 -3.334
41 HE2 TYR 4 HE2 TYR 4 11.334 12.311 -1.557
42 HH TYR 4 HH TYR 4 10.508 13.245 -4.225
43 H THR 5 HN THR 5 8.080 8.241 -1.887
44 HA THR 5 HA THR 5 7.608 9.631 -4.295
45 HB THR 5 HB THR 5 8.488 6.764 -3.813
46 HG1 THR 5 HG1 THR 5 10.008 7.965 -2.931
47 HG21 THR 5 HG21 THR 5 7.846 7.012 -6.153
48 HG22 THR 5 HG22 THR 5 9.603 7.051 -6.054
49 HG23 THR 5 HG23 THR 5 8.704 8.550 -6.267
50 H ILE 6 HN ILE 6 6.124 6.673 -2.928
51 HA ILE 6 HA ILE 6 4.399 6.153 -5.128
52 HB ILE 6 HB ILE 6 4.213 5.347 -2.195
53 HG12 ILE 6 HG12 ILE 6 4.835 3.095 -3.120
54 HG13 ILE 6 HG11 ILE 6 4.975 3.815 -4.716
55 HG21 ILE 6 HG21 ILE 6 2.505 3.635 -3.012
56 HG22 ILE 6 HG22 ILE 6 2.435 4.524 -4.534
57 HG23 ILE 6 HG23 ILE 6 1.914 5.294 -3.038
58 HD11 ILE 6 HD11 ILE 6 6.917 4.974 -4.159
59 HD12 ILE 6 HD12 ILE 6 7.113 3.463 -3.287
60 HD13 ILE 6 HD13 ILE 6 6.607 4.910 -2.421
61 H LYS 7 HN LYS 7 3.979 8.009 -2.123
62 HA LYS 7 HA LYS 7 1.275 8.665 -2.401
63 HB2 LYS 7 HB2 LYS 7 2.531 9.128 -0.355
64 HB3 LYS 7 HB1 LYS 7 3.549 10.285 -1.203
65 HG2 LYS 7 HG2 LYS 7 1.633 11.770 -1.582
66 HG3 LYS 7 HG1 LYS 7 0.546 10.576 -0.882
67 HD2 LYS 7 HD2 LYS 7 1.690 10.799 1.291
68 HD3 LYS 7 HD1 LYS 7 2.808 11.971 0.590
69 HE2 LYS 7 HE2 LYS 7 0.919 13.481 0.086
70 HE3 LYS 7 HE1 LYS 7 -0.207 12.305 0.770
71 HZ1 LYS 7 HZ1 LYS 7 0.753 14.262 2.200
72 HZ2 LYS 7 HZ2 LYS 7 2.042 13.179 2.429
73 HZ3 LYS 7 HZ3 LYS 7 0.465 12.737 2.880
74 H LEU 8 HN LEU 8 4.125 10.461 -3.544
75 HA LEU 8 HA LEU 8 2.658 12.507 -4.833
76 HB2 LEU 8 HB2 LEU 8 5.196 12.450 -4.177
77 HB3 LEU 8 HB1 LEU 8 5.430 11.608 -5.698
78 HG LEU 8 HG LEU 8 4.028 13.633 -6.735
79 HD11 LEU 8 HD11 LEU 8 4.424 15.787 -5.543
80 HD12 LEU 8 HD12 LEU 8 5.121 14.902 -4.188
81 HD13 LEU 8 HD13 LEU 8 3.418 14.710 -4.580
82 HD21 LEU 8 HD21 LEU 8 6.894 14.038 -5.806
83 HD22 LEU 8 HD22 LEU 8 6.098 14.919 -7.112
84 HD23 LEU 8 HD23 LEU 8 6.396 13.190 -7.273
85 H ALA 9 HN ALA 9 4.016 9.461 -5.933
86 HA ALA 9 HA ALA 9 3.618 9.719 -8.646
87 HB1 ALA 9 HB1 ALA 9 3.590 7.266 -8.755
88 HB2 ALA 9 HB2 ALA 9 3.279 7.190 -7.022
89 HB3 ALA 9 HB3 ALA 9 4.814 7.824 -7.614
90 H LYS 10 HN LYS 10 1.308 8.684 -6.177
91 HA LYS 10 HA LYS 10 -0.854 8.073 -7.953
92 HB2 LYS 10 HB2 LYS 10 -0.711 8.801 -5.013
93 HB3 LYS 10 HB1 LYS 10 -2.224 8.391 -5.800
94 HG2 LYS 10 HG2 LYS 10 -1.145 6.179 -6.504
95 HG3 LYS 10 HG1 LYS 10 0.206 6.585 -5.449
96 HD2 LYS 10 HD2 LYS 10 -2.692 6.332 -4.546
97 HD3 LYS 10 HD1 LYS 10 -1.473 5.076 -4.364
98 HE2 LYS 10 HE2 LYS 10 -0.094 6.728 -3.011
99 HE3 LYS 10 HE1 LYS 10 -1.495 7.800 -3.021
100 HZ1 LYS 10 HZ1 LYS 10 -2.767 5.821 -2.138
101 HZ2 LYS 10 HZ2 LYS 10 -1.679 6.575 -1.074
102 HZ3 LYS 10 HZ3 LYS 10 -1.258 5.111 -1.825
103 H PHE 11 HN PHE 11 0.067 10.973 -6.152
104 HA PHE 11 HA PHE 11 -2.121 12.612 -6.798
105 HB2 PHE 11 HB2 PHE 11 -0.382 13.187 -5.149
106 HB3 PHE 11 HB1 PHE 11 0.789 13.382 -6.428
107 HD1 PHE 11 HD1 PHE 11 -2.630 14.589 -5.431
108 HD2 PHE 11 HD2 PHE 11 1.129 15.609 -7.300
109 HE1 PHE 11 HE1 PHE 11 -3.357 16.950 -5.637
110 HE2 PHE 11 HE2 PHE 11 0.379 17.956 -7.498
111 HZ PHE 11 HZ PHE 11 -1.855 18.629 -6.672
112 H LEU 12 HN LEU 12 0.988 12.210 -8.421
113 HA LEU 12 HA LEU 12 0.399 13.825 -10.716
114 HB2 LEU 12 HB2 LEU 12 2.387 11.553 -10.357
115 HB3 LEU 12 HB1 LEU 12 2.394 12.708 -11.689
116 HG LEU 12 HG LEU 12 2.702 13.458 -8.760
117 HD11 LEU 12 HD11 LEU 12 4.627 12.151 -9.530
118 HD12 LEU 12 HD12 LEU 12 5.093 13.839 -9.317
119 HD13 LEU 12 HD13 LEU 12 4.801 13.201 -10.936
120 HD21 LEU 12 HD21 LEU 12 1.908 15.413 -9.799
121 HD22 LEU 12 HD22 LEU 12 2.747 15.088 -11.315
122 HD23 LEU 12 HD23 LEU 12 3.647 15.628 -9.900
123 H GLY 13 HN GLY 13 0.116 10.422 -9.916
124 HA2 GLY 13 HA2 GLY 13 -0.489 9.379 -12.435
125 HA3 GLY 13 HA1 GLY 13 -0.952 8.669 -10.919
126 H GLY 14 HN GLY 14 -2.351 11.398 -10.431
127 HA2 GLY 14 HA2 GLY 14 -4.959 10.611 -11.612
128 HA3 GLY 14 HA1 GLY 14 -4.688 11.811 -10.343
129 H ILE 15 HN ILE 15 -2.722 13.325 -11.395
130 HA ILE 15 HA ILE 15 -4.093 15.090 -13.188
131 HB ILE 15 HB ILE 15 -1.205 15.066 -12.238
132 HG12 ILE 15 HG12 ILE 15 -3.559 16.641 -11.086
133 HG13 ILE 15 HG11 ILE 15 -3.010 15.114 -10.406
134 HG21 ILE 15 HG21 ILE 15 -2.920 17.264 -13.473
135 HG22 ILE 15 HG22 ILE 15 -1.457 16.559 -14.158
136 HG23 ILE 15 HG23 ILE 15 -1.355 17.555 -12.716
137 HD11 ILE 15 HD11 ILE 15 -0.755 16.075 -10.071
138 HD12 ILE 15 HD12 ILE 15 -1.999 16.957 -9.189
139 HD13 ILE 15 HD13 ILE 15 -1.340 17.623 -10.681
140 H VAL 16 HN VAL 16 -1.626 12.577 -13.577
141 HA VAL 16 HA VAL 16 -0.571 13.377 -16.024
142 HB VAL 16 HB VAL 16 0.229 11.418 -14.605
143 HG11 VAL 16 HG11 VAL 16 -1.901 9.805 -16.069
144 HG12 VAL 16 HG12 VAL 16 -2.091 10.386 -14.424
145 HG13 VAL 16 HG13 VAL 16 -0.800 9.257 -14.810
146 HG21 VAL 16 HG21 VAL 16 1.087 11.798 -16.900
147 HG22 VAL 16 HG22 VAL 16 -0.250 10.854 -17.559
148 HG23 VAL 16 HG23 VAL 16 0.972 10.071 -16.555
149 H ARG 17 HN ARG 17 -3.471 11.514 -15.296
150 HA ARG 17 HA ARG 17 -4.292 11.012 -17.964
151 HB2 ARG 17 HB2 ARG 17 -5.065 10.014 -15.600
152 HB3 ARG 17 HB1 ARG 17 -6.263 11.296 -15.666
153 HG2 ARG 17 HG2 ARG 17 -5.869 9.033 -17.675
154 HG3 ARG 17 HG1 ARG 17 -7.238 9.274 -16.600
155 HD2 ARG 17 HD2 ARG 17 -7.603 11.524 -17.834
156 HD3 ARG 17 HD1 ARG 17 -6.482 10.900 -19.045
157 HE ARG 17 HE ARG 17 -9.218 10.084 -18.649
158 HH11 ARG 17 HH21 ARG 17 -6.078 9.060 -19.705
159 HH12 ARG 17 HH22 ARG 17 -6.680 7.810 -20.741
160 HH21 ARG 17 HH11 ARG 17 -10.012 8.450 -20.001
161 HH22 ARG 17 HH12 ARG 17 -8.916 7.479 -20.926
162 H ALA 18 HN ALA 18 -4.950 13.604 -15.621
163 HA ALA 18 HA ALA 18 -6.908 15.005 -17.038
164 HB1 ALA 18 HB1 ALA 18 -6.251 15.428 -14.659
165 HB2 ALA 18 HB2 ALA 18 -6.388 16.900 -15.621
166 HB3 ALA 18 HB3 ALA 18 -4.801 16.239 -15.242
167 H MET 19 HN MET 19 -3.373 15.197 -17.269
168 HA MET 19 HA MET 19 -3.175 17.464 -18.912
169 HB2 MET 19 HB2 MET 19 -1.459 15.011 -18.473
170 HB3 MET 19 HB1 MET 19 -0.965 16.294 -19.543
171 HG2 MET 19 HG2 MET 19 -1.104 17.912 -17.670
172 HG3 MET 19 HG1 MET 19 -1.620 16.607 -16.605
173 HE1 MET 19 HE1 MET 19 0.988 18.710 -16.572
174 HE2 MET 19 HE2 MET 19 2.113 17.672 -15.702
175 HE3 MET 19 HE3 MET 19 0.426 17.746 -15.201
176 H LEU 20 HN LEU 20 -3.033 14.019 -19.828
177 HA LEU 20 HA LEU 20 -3.049 14.451 -22.632
178 HB2 LEU 20 HB2 LEU 20 -3.695 12.108 -20.834
179 HB3 LEU 20 HB1 LEU 20 -4.068 11.986 -22.550
180 HG LEU 20 HG LEU 20 -1.705 12.432 -23.116
181 HD11 LEU 20 HD11 LEU 20 -1.022 13.857 -21.265
182 HD12 LEU 20 HD12 LEU 20 0.001 12.425 -21.249
183 HD13 LEU 20 HD13 LEU 20 -1.329 12.568 -20.105
184 HD21 LEU 20 HD21 LEU 20 -2.031 10.249 -21.025
185 HD22 LEU 20 HD22 LEU 20 -0.765 10.314 -22.251
186 HD23 LEU 20 HD23 LEU 20 -2.447 10.096 -22.734
187 H GLY 21 HN GLY 21 -5.615 13.926 -20.279
188 HA2 GLY 21 HA2 GLY 21 -7.800 13.849 -22.107
189 HA3 GLY 21 HA1 GLY 21 -7.908 14.231 -20.388
190 H SER 22 HN SER 22 -5.984 16.407 -20.588
191 HA SER 22 HA SER 22 -7.822 18.537 -21.410
192 HB2 SER 22 HB2 SER 22 -5.136 18.535 -20.007
193 HB3 SER 22 HB1 SER 22 -6.034 20.006 -20.393
194 HG SER 22 HG SER 22 -6.645 19.413 -18.365
195 H PHE 23 HN PHE 23 -4.849 17.042 -22.524
196 HA PHE 23 HA PHE 23 -3.910 19.079 -24.217
197 HB2 PHE 23 HB2 PHE 23 -2.621 17.035 -23.581
198 HB3 PHE 23 HB1 PHE 23 -3.657 16.077 -24.635
199 HD1 PHE 23 HD1 PHE 23 -1.163 18.851 -24.556
200 HD2 PHE 23 HD2 PHE 23 -3.348 16.127 -27.070
201 HE1 PHE 23 HE1 PHE 23 0.247 19.496 -26.488
202 HE2 PHE 23 HE2 PHE 23 -1.933 16.780 -28.998
203 HZ PHE 23 HZ PHE 23 -0.138 18.464 -28.706
204 H ARG 24 HN ARG 24 -6.143 16.375 -24.899
205 HA ARG 24 HA ARG 24 -6.504 16.965 -27.657
206 HB2 ARG 24 HB2 ARG 24 -8.298 15.529 -25.668
207 HB3 ARG 24 HB1 ARG 24 -8.567 15.543 -27.413
208 HG2 ARG 24 HG2 ARG 24 -6.350 14.500 -27.763
209 HG3 ARG 24 HG1 ARG 24 -6.082 14.483 -26.019
210 HD2 ARG 24 HD2 ARG 24 -8.080 13.035 -25.740
211 HD3 ARG 24 HD1 ARG 24 -8.308 13.034 -27.490
212 HE ARG 24 HE ARG 24 -5.666 12.174 -26.755
213 HH11 ARG 24 HH21 ARG 24 -8.980 11.155 -26.950
214 HH12 ARG 24 HH22 ARG 24 -8.589 9.481 -27.160
215 HH21 ARG 24 HH11 ARG 24 -5.161 9.995 -27.037
216 HH22 ARG 24 HH12 ARG 24 -6.424 8.825 -27.228
217 H LYS 25 HN LYS 25 -6.659 19.322 -27.478
218 HA LYS 25 HA LYS 25 -8.822 20.663 -26.235
219 HB2 LYS 25 HB2 LYS 25 -6.722 21.752 -27.012
220 HB3 LYS 25 HB1 LYS 25 -7.223 21.501 -28.682
221 HG2 LYS 25 HG2 LYS 25 -9.229 22.904 -28.301
222 HG3 LYS 25 HG1 LYS 25 -8.756 23.121 -26.616
223 HD2 LYS 25 HD2 LYS 25 -6.657 24.217 -27.354
224 HD3 LYS 25 HD1 LYS 25 -7.152 24.012 -29.035
225 HE2 LYS 25 HE2 LYS 25 -8.664 25.609 -26.941
226 HE3 LYS 25 HE1 LYS 25 -7.685 26.286 -28.243
227 HZ1 LYS 25 HZ1 LYS 25 -9.905 26.300 -28.992
228 HZ2 LYS 25 HZ2 LYS 25 -10.176 24.699 -28.489
229 HZ3 LYS 25 HZ3 LYS 25 -9.149 25.018 -29.804
230 H ASP 26 HN ASP 26 -8.366 19.317 -29.471
231 HA ASP 26 HA ASP 26 -9.801 18.883 -31.199
232 HB2 ASP 26 HB2 ASP 26 -10.811 17.437 -29.444
233 HB3 ASP 26 HB1 ASP 26 -11.877 18.761 -28.987
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 14.682 3.856 -1.991
2 H2 MET 1 HT2 MET 1 14.279 4.684 -0.563
3 H3 MET 1 HT3 MET 1 14.776 5.549 -1.938
4 HA MET 1 HA MET 1 12.772 5.539 -2.854
5 HB2 MET 1 HB2 MET 1 13.086 3.063 -3.288
6 HB3 MET 1 HB1 MET 1 12.318 2.740 -1.737
7 HG2 MET 1 HG2 MET 1 10.623 2.522 -3.454
8 HG3 MET 1 HG1 MET 1 10.282 4.016 -2.585
9 HE1 MET 1 HE1 MET 1 9.829 2.835 -6.026
10 HE2 MET 1 HE2 MET 1 9.328 4.479 -6.407
11 HE3 MET 1 HE3 MET 1 8.817 3.741 -4.892
12 H LYS 2 HN LYS 2 12.172 7.190 -1.461
13 HA LYS 2 HA LYS 2 11.279 6.785 1.234
14 HB2 LYS 2 HB2 LYS 2 10.705 9.121 -0.624
15 HB3 LYS 2 HB1 LYS 2 10.583 9.125 1.131
16 HG2 LYS 2 HG2 LYS 2 13.196 8.610 -0.349
17 HG3 LYS 2 HG1 LYS 2 12.690 10.211 0.171
18 HD2 LYS 2 HD2 LYS 2 12.616 9.389 2.534
19 HD3 LYS 2 HD1 LYS 2 13.215 7.825 1.990
20 HE2 LYS 2 HE2 LYS 2 15.261 8.860 1.131
21 HE3 LYS 2 HE1 LYS 2 14.674 10.455 1.602
22 HZ1 LYS 2 HZ1 LYS 2 15.594 10.099 3.565
23 HZ2 LYS 2 HZ2 LYS 2 15.963 8.485 3.183
24 HZ3 LYS 2 HZ3 LYS 2 14.450 8.881 3.850
25 H PHE 3 HN PHE 3 9.166 6.925 2.053
26 HA PHE 3 HA PHE 3 7.213 5.455 0.621
27 HB2 PHE 3 HB2 PHE 3 6.876 7.194 3.086
28 HB3 PHE 3 HB1 PHE 3 5.741 5.966 2.525
29 HD1 PHE 3 HD1 PHE 3 6.334 3.544 2.609
30 HD2 PHE 3 HD2 PHE 3 8.996 6.547 4.161
31 HE1 PHE 3 HE1 PHE 3 7.620 1.794 3.804
32 HE2 PHE 3 HE2 PHE 3 10.274 4.792 5.354
33 HZ PHE 3 HZ PHE 3 9.586 2.418 5.178
34 H TYR 4 HN TYR 4 7.483 8.962 1.303
35 HA TYR 4 HA TYR 4 4.957 9.660 0.265
36 HB2 TYR 4 HB2 TYR 4 5.705 11.952 0.278
37 HB3 TYR 4 HB1 TYR 4 6.351 11.145 1.701
38 HD1 TYR 4 HD2 TYR 4 7.196 12.361 -1.727
39 HD2 TYR 4 HD1 TYR 4 8.769 10.927 2.017
40 HE1 TYR 4 HE2 TYR 4 9.475 13.043 -2.417
41 HE2 TYR 4 HE1 TYR 4 11.041 11.615 1.317
42 HH TYR 4 HH TYR 4 11.685 13.714 -1.043
43 H THR 5 HN THR 5 7.794 8.677 -1.350
44 HA THR 5 HA THR 5 7.482 10.020 -3.822
45 HB THR 5 HB THR 5 8.651 7.251 -3.399
46 HG1 THR 5 HG1 THR 5 9.350 9.382 -2.188
47 HG21 THR 5 HG21 THR 5 8.360 7.914 -5.760
48 HG22 THR 5 HG22 THR 5 10.066 7.866 -5.321
49 HG23 THR 5 HG23 THR 5 9.231 9.414 -5.442
50 H ILE 6 HN ILE 6 6.202 6.892 -2.633
51 HA ILE 6 HA ILE 6 4.887 6.143 -5.043
52 HB ILE 6 HB ILE 6 4.261 5.418 -2.144
53 HG12 ILE 6 HG12 ILE 6 5.288 3.202 -2.834
54 HG13 ILE 6 HG11 ILE 6 5.721 3.933 -4.375
55 HG21 ILE 6 HG21 ILE 6 2.207 5.052 -3.414
56 HG22 ILE 6 HG22 ILE 6 2.960 3.482 -3.181
57 HG23 ILE 6 HG23 ILE 6 3.105 4.303 -4.735
58 HD11 ILE 6 HD11 ILE 6 7.474 3.818 -2.427
59 HD12 ILE 6 HD12 ILE 6 6.647 5.247 -1.815
60 HD13 ILE 6 HD13 ILE 6 7.368 5.251 -3.427
61 H LYS 7 HN LYS 7 3.856 7.945 -2.175
62 HA LYS 7 HA LYS 7 1.168 8.358 -2.866
63 HB2 LYS 7 HB2 LYS 7 2.064 8.765 -0.624
64 HB3 LYS 7 HB1 LYS 7 3.074 10.067 -1.240
65 HG2 LYS 7 HG2 LYS 7 1.080 11.387 -1.823
66 HG3 LYS 7 HG1 LYS 7 0.043 10.062 -1.314
67 HD2 LYS 7 HD2 LYS 7 0.913 10.274 0.992
68 HD3 LYS 7 HD1 LYS 7 1.968 11.586 0.469
69 HE2 LYS 7 HE2 LYS 7 0.006 12.929 -0.177
70 HE3 LYS 7 HE1 LYS 7 -1.065 11.618 0.327
71 HZ1 LYS 7 HZ1 LYS 7 0.534 11.992 2.484
72 HZ2 LYS 7 HZ2 LYS 7 -1.038 12.608 2.304
73 HZ3 LYS 7 HZ3 LYS 7 0.305 13.574 1.918
74 H LEU 8 HN LEU 8 3.982 10.493 -3.397
75 HA LEU 8 HA LEU 8 2.484 12.470 -4.763
76 HB2 LEU 8 HB2 LEU 8 4.742 12.804 -3.650
77 HB3 LEU 8 HB1 LEU 8 5.471 11.972 -5.011
78 HG LEU 8 HG LEU 8 4.415 13.694 -6.551
79 HD11 LEU 8 HD11 LEU 8 3.502 14.872 -3.907
80 HD12 LEU 8 HD12 LEU 8 2.617 14.715 -5.422
81 HD13 LEU 8 HD13 LEU 8 3.850 15.948 -5.264
82 HD21 LEU 8 HD21 LEU 8 6.762 13.876 -5.884
83 HD22 LEU 8 HD22 LEU 8 6.297 14.757 -4.428
84 HD23 LEU 8 HD23 LEU 8 6.037 15.478 -6.018
85 H ALA 9 HN ALA 9 4.415 9.738 -5.785
86 HA ALA 9 HA ALA 9 4.397 10.151 -8.542
87 HB1 ALA 9 HB1 ALA 9 5.784 8.405 -7.578
88 HB2 ALA 9 HB2 ALA 9 4.664 7.645 -8.709
89 HB3 ALA 9 HB3 ALA 9 4.362 7.558 -6.973
90 H LYS 10 HN LYS 10 2.037 8.637 -6.425
91 HA LYS 10 HA LYS 10 0.184 7.807 -8.447
92 HB2 LYS 10 HB2 LYS 10 0.441 7.070 -5.932
93 HB3 LYS 10 HB1 LYS 10 -0.556 8.461 -5.568
94 HG2 LYS 10 HG2 LYS 10 -2.220 6.797 -5.788
95 HG3 LYS 10 HG1 LYS 10 -2.177 7.423 -7.430
96 HD2 LYS 10 HD2 LYS 10 -2.060 5.080 -7.810
97 HD3 LYS 10 HD1 LYS 10 -0.358 5.519 -7.845
98 HE2 LYS 10 HE2 LYS 10 -0.731 3.501 -6.472
99 HE3 LYS 10 HE1 LYS 10 -0.133 4.815 -5.467
100 HZ1 LYS 10 HZ1 LYS 10 -2.916 5.005 -5.568
101 HZ2 LYS 10 HZ2 LYS 10 -1.941 4.631 -4.228
102 HZ3 LYS 10 HZ3 LYS 10 -2.537 3.388 -5.225
103 H PHE 11 HN PHE 11 0.559 10.694 -6.440
104 HA PHE 11 HA PHE 11 -1.843 12.007 -7.138
105 HB2 PHE 11 HB2 PHE 11 -0.318 12.644 -5.267
106 HB3 PHE 11 HB1 PHE 11 0.855 13.205 -6.431
107 HD1 PHE 11 HD1 PHE 11 -2.798 13.637 -5.627
108 HD2 PHE 11 HD2 PHE 11 0.848 15.557 -6.932
109 HE1 PHE 11 HE1 PHE 11 -3.947 15.825 -5.646
110 HE2 PHE 11 HE2 PHE 11 -0.330 17.737 -6.946
111 HZ PHE 11 HZ PHE 11 -2.720 17.871 -6.304
112 H LEU 12 HN LEU 12 1.429 12.256 -8.427
113 HA LEU 12 HA LEU 12 0.813 13.978 -10.626
114 HB2 LEU 12 HB2 LEU 12 3.106 12.034 -10.207
115 HB3 LEU 12 HB1 LEU 12 3.056 13.270 -11.462
116 HG LEU 12 HG LEU 12 2.931 13.856 -8.479
117 HD11 LEU 12 HD11 LEU 12 5.268 14.023 -10.414
118 HD12 LEU 12 HD12 LEU 12 5.107 12.906 -9.059
119 HD13 LEU 12 HD13 LEU 12 5.291 14.633 -8.758
120 HD21 LEU 12 HD21 LEU 12 3.047 15.641 -10.931
121 HD22 LEU 12 HD22 LEU 12 3.630 16.207 -9.367
122 HD23 LEU 12 HD23 LEU 12 1.955 15.727 -9.549
123 H GLY 13 HN GLY 13 1.050 10.482 -10.222
124 HA2 GLY 13 HA2 GLY 13 0.837 9.754 -12.931
125 HA3 GLY 13 HA1 GLY 13 0.460 8.734 -11.580
126 H GLY 14 HN GLY 14 -1.483 11.062 -10.825
127 HA2 GLY 14 HA2 GLY 14 -3.822 9.953 -12.271
128 HA3 GLY 14 HA1 GLY 14 -3.853 10.998 -10.848
129 H ILE 15 HN ILE 15 -2.169 13.003 -11.596
130 HA ILE 15 HA ILE 15 -3.829 14.654 -13.251
131 HB ILE 15 HB ILE 15 -1.042 15.123 -12.137
132 HG12 ILE 15 HG12 ILE 15 -3.710 16.079 -10.991
133 HG13 ILE 15 HG11 ILE 15 -2.918 14.613 -10.435
134 HG21 ILE 15 HG21 ILE 15 -1.624 17.547 -12.385
135 HG22 ILE 15 HG22 ILE 15 -3.114 17.084 -13.202
136 HG23 ILE 15 HG23 ILE 15 -1.555 16.723 -13.936
137 HD11 ILE 15 HD11 ILE 15 -1.716 17.392 -10.362
138 HD12 ILE 15 HD12 ILE 15 -0.906 15.914 -9.838
139 HD13 ILE 15 HD13 ILE 15 -2.336 16.488 -8.983
140 H VAL 16 HN VAL 16 -0.829 12.809 -13.755
141 HA VAL 16 HA VAL 16 0.076 14.087 -16.056
142 HB VAL 16 HB VAL 16 1.249 12.200 -14.795
143 HG11 VAL 16 HG11 VAL 16 -0.412 10.346 -16.549
144 HG12 VAL 16 HG12 VAL 16 -0.755 10.660 -14.856
145 HG13 VAL 16 HG13 VAL 16 0.763 9.903 -15.316
146 HG21 VAL 16 HG21 VAL 16 2.108 13.027 -16.953
147 HG22 VAL 16 HG22 VAL 16 1.028 11.935 -17.821
148 HG23 VAL 16 HG23 VAL 16 2.343 11.283 -16.839
149 H ARG 17 HN ARG 17 -2.352 11.587 -15.663
150 HA ARG 17 HA ARG 17 -2.955 11.185 -18.408
151 HB2 ARG 17 HB2 ARG 17 -3.557 9.861 -16.095
152 HB3 ARG 17 HB1 ARG 17 -5.062 10.739 -16.280
153 HG2 ARG 17 HG2 ARG 17 -3.808 8.876 -18.336
154 HG3 ARG 17 HG1 ARG 17 -5.195 8.510 -17.317
155 HD2 ARG 17 HD2 ARG 17 -6.424 10.423 -18.386
156 HD3 ARG 17 HD1 ARG 17 -5.055 10.630 -19.478
157 HE ARG 17 HE ARG 17 -6.031 7.931 -19.499
158 HH11 ARG 17 HH21 ARG 17 -6.635 11.140 -20.677
159 HH12 ARG 17 HH22 ARG 17 -7.446 10.606 -22.112
160 HH21 ARG 17 HH11 ARG 17 -7.071 7.234 -21.388
161 HH22 ARG 17 HH12 ARG 17 -7.688 8.394 -22.517
162 H ALA 18 HN ALA 18 -4.251 13.294 -15.857
163 HA ALA 18 HA ALA 18 -6.459 14.336 -17.201
164 HB1 ALA 18 HB1 ALA 18 -6.002 14.683 -14.789
165 HB2 ALA 18 HB2 ALA 18 -6.390 16.186 -15.625
166 HB3 ALA 18 HB3 ALA 18 -4.721 15.815 -15.214
167 H MET 19 HN MET 19 -3.056 15.350 -17.358
168 HA MET 19 HA MET 19 -3.384 17.770 -18.732
169 HB2 MET 19 HB2 MET 19 -1.184 15.688 -18.740
170 HB3 MET 19 HB1 MET 19 -1.033 17.240 -19.518
171 HG2 MET 19 HG2 MET 19 -1.428 18.375 -17.352
172 HG3 MET 19 HG1 MET 19 -1.568 16.801 -16.575
173 HE1 MET 19 HE1 MET 19 0.416 19.343 -16.034
174 HE2 MET 19 HE2 MET 19 1.881 18.505 -15.527
175 HE3 MET 19 HE3 MET 19 0.315 17.957 -14.939
176 H LEU 20 HN LEU 20 -2.559 14.566 -20.035
177 HA LEU 20 HA LEU 20 -2.804 15.263 -22.774
178 HB2 LEU 20 HB2 LEU 20 -2.873 12.650 -21.243
179 HB3 LEU 20 HB1 LEU 20 -3.220 12.660 -22.967
180 HG LEU 20 HG LEU 20 -1.019 13.674 -23.431
181 HD11 LEU 20 HD11 LEU 20 -0.679 13.557 -20.410
182 HD12 LEU 20 HD12 LEU 20 -0.631 14.993 -21.436
183 HD13 LEU 20 HD13 LEU 20 0.661 13.805 -21.531
184 HD21 LEU 20 HD21 LEU 20 0.374 11.727 -22.797
185 HD22 LEU 20 HD22 LEU 20 -1.220 11.205 -23.341
186 HD23 LEU 20 HD23 LEU 20 -0.845 11.240 -21.617
187 H GLY 21 HN GLY 21 -5.045 13.993 -20.398
188 HA2 GLY 21 HA2 GLY 21 -7.264 13.514 -22.101
189 HA3 GLY 21 HA1 GLY 21 -7.345 13.813 -20.365
190 H SER 22 HN SER 22 -6.017 16.339 -20.477
191 HA SER 22 HA SER 22 -8.284 18.071 -21.075
192 HB2 SER 22 HB2 SER 22 -6.932 18.386 -19.040
193 HB3 SER 22 HB1 SER 22 -5.510 18.712 -20.028
194 HG SER 22 HG SER 22 -6.694 20.475 -20.935
195 H PHE 23 HN PHE 23 -5.266 17.188 -22.567
196 HA PHE 23 HA PHE 23 -4.832 19.455 -24.186
197 HB2 PHE 23 HB2 PHE 23 -3.154 17.651 -23.821
198 HB3 PHE 23 HB1 PHE 23 -4.132 16.561 -24.797
199 HD1 PHE 23 HD2 PHE 23 -2.229 19.786 -24.875
200 HD2 PHE 23 HD1 PHE 23 -4.030 16.659 -27.232
201 HE1 PHE 23 HE2 PHE 23 -1.189 20.716 -26.920
202 HE2 PHE 23 HE1 PHE 23 -2.985 17.602 -29.269
203 HZ PHE 23 HZ PHE 23 -1.566 19.628 -29.115
204 H ARG 24 HN ARG 24 -6.708 16.493 -24.755
205 HA ARG 24 HA ARG 24 -7.383 16.936 -27.443
206 HB2 ARG 24 HB2 ARG 24 -8.960 15.540 -25.260
207 HB3 ARG 24 HB1 ARG 24 -9.290 15.392 -26.987
208 HG2 ARG 24 HG2 ARG 24 -7.045 14.444 -27.353
209 HG3 ARG 24 HG1 ARG 24 -6.678 14.622 -25.637
210 HD2 ARG 24 HD2 ARG 24 -7.357 12.314 -26.112
211 HD3 ARG 24 HD1 ARG 24 -8.558 13.097 -25.086
212 HE ARG 24 HE ARG 24 -9.270 13.415 -27.820
213 HH11 ARG 24 HH21 ARG 24 -9.088 11.047 -25.287
214 HH12 ARG 24 HH22 ARG 24 -10.350 10.055 -25.938
215 HH21 ARG 24 HH11 ARG 24 -10.934 12.116 -28.663
216 HH22 ARG 24 HH12 ARG 24 -11.378 10.650 -27.855
217 H LYS 25 HN LYS 25 -8.028 19.009 -27.935
218 HA LYS 25 HA LYS 25 -10.646 19.945 -26.830
219 HB2 LYS 25 HB2 LYS 25 -8.228 21.611 -27.625
220 HB3 LYS 25 HB1 LYS 25 -9.820 22.271 -27.244
221 HG2 LYS 25 HG2 LYS 25 -9.679 21.255 -24.976
222 HG3 LYS 25 HG1 LYS 25 -8.063 20.657 -25.360
223 HD2 LYS 25 HD2 LYS 25 -7.271 22.965 -25.708
224 HD3 LYS 25 HD1 LYS 25 -8.886 23.582 -25.356
225 HE2 LYS 25 HE2 LYS 25 -8.754 22.593 -23.082
226 HE3 LYS 25 HE1 LYS 25 -7.121 22.026 -23.436
227 HZ1 LYS 25 HZ1 LYS 25 -6.841 24.043 -22.328
228 HZ2 LYS 25 HZ2 LYS 25 -8.085 24.809 -23.193
229 HZ3 LYS 25 HZ3 LYS 25 -6.617 24.438 -23.962
230 H ASP 26 HN ASP 26 -12.011 19.370 -28.438
231 HA ASP 26 HA ASP 26 -11.326 19.390 -31.231
232 HB2 ASP 26 HB2 ASP 26 -14.027 19.247 -29.849
233 HB3 ASP 26 HB1 ASP 26 -13.739 18.926 -31.560
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 12.654 2.858 -1.184
2 H2 MET 1 HT2 MET 1 14.067 3.177 -2.073
3 H3 MET 1 HT3 MET 1 12.556 3.684 -2.661
4 HA MET 1 HA MET 1 14.191 4.811 -0.499
5 HB2 MET 1 HB2 MET 1 12.512 5.951 -2.763
6 HB3 MET 1 HB1 MET 1 13.431 6.927 -1.621
7 HG2 MET 1 HG2 MET 1 15.518 5.757 -2.339
8 HG3 MET 1 HG1 MET 1 14.584 4.881 -3.547
9 HE1 MET 1 HE1 MET 1 12.537 7.272 -4.822
10 HE2 MET 1 HE2 MET 1 13.323 5.797 -5.369
11 HE3 MET 1 HE3 MET 1 13.638 7.315 -6.199
12 H LYS 2 HN LYS 2 12.403 7.021 -0.095
13 HA LYS 2 HA LYS 2 10.828 6.028 2.033
14 HB2 LYS 2 HB2 LYS 2 10.702 8.683 0.562
15 HB3 LYS 2 HB1 LYS 2 9.888 8.345 2.092
16 HG2 LYS 2 HG2 LYS 2 12.077 7.850 3.142
17 HG3 LYS 2 HG1 LYS 2 12.886 8.213 1.617
18 HD2 LYS 2 HD2 LYS 2 12.028 10.521 1.693
19 HD3 LYS 2 HD1 LYS 2 11.183 10.171 3.200
20 HE2 LYS 2 HE2 LYS 2 13.314 11.310 3.662
21 HE3 LYS 2 HE1 LYS 2 13.360 9.659 4.285
22 HZ1 LYS 2 HZ1 LYS 2 14.218 9.820 1.564
23 HZ2 LYS 2 HZ2 LYS 2 15.005 9.138 2.907
24 HZ3 LYS 2 HZ3 LYS 2 15.163 10.797 2.578
25 H PHE 3 HN PHE 3 8.631 5.722 2.252
26 HA PHE 3 HA PHE 3 7.203 4.688 0.031
27 HB2 PHE 3 HB2 PHE 3 5.298 4.550 1.613
28 HB3 PHE 3 HB1 PHE 3 6.784 3.904 2.306
29 HD1 PHE 3 HD2 PHE 3 8.007 5.140 4.079
30 HD2 PHE 3 HD1 PHE 3 4.352 6.694 2.421
31 HE1 PHE 3 HE2 PHE 3 7.843 6.756 5.948
32 HE2 PHE 3 HE1 PHE 3 4.198 8.310 4.295
33 HZ PHE 3 HZ PHE 3 5.941 8.340 6.057
34 H TYR 4 HN TYR 4 7.391 7.869 1.455
35 HA TYR 4 HA TYR 4 5.017 9.011 0.496
36 HB2 TYR 4 HB2 TYR 4 5.940 10.699 1.773
37 HB3 TYR 4 HB1 TYR 4 7.516 9.934 1.705
38 HD1 TYR 4 HD2 TYR 4 5.287 12.432 0.094
39 HD2 TYR 4 HD1 TYR 4 9.200 10.645 0.063
40 HE1 TYR 4 HE2 TYR 4 6.103 14.237 -1.398
41 HE2 TYR 4 HE1 TYR 4 10.009 12.452 -1.431
42 HH TYR 4 HH TYR 4 9.155 15.023 -1.838
43 H THR 5 HN THR 5 7.792 7.941 -1.187
44 HA THR 5 HA THR 5 7.690 9.556 -3.500
45 HB THR 5 HB THR 5 8.588 6.667 -3.263
46 HG1 THR 5 HG1 THR 5 10.551 7.521 -2.719
47 HG21 THR 5 HG21 THR 5 9.297 8.871 -5.229
48 HG22 THR 5 HG22 THR 5 8.412 7.390 -5.597
49 HG23 THR 5 HG23 THR 5 10.106 7.311 -5.132
50 H ILE 6 HN ILE 6 6.134 6.431 -2.723
51 HA ILE 6 HA ILE 6 4.846 6.104 -5.243
52 HB ILE 6 HB ILE 6 4.185 4.976 -2.490
53 HG12 ILE 6 HG12 ILE 6 5.056 2.851 -3.514
54 HG13 ILE 6 HG11 ILE 6 5.437 3.744 -4.980
55 HG21 ILE 6 HG21 ILE 6 2.076 4.951 -3.722
56 HG22 ILE 6 HG22 ILE 6 2.728 3.319 -3.781
57 HG23 ILE 6 HG23 ILE 6 2.886 4.380 -5.182
58 HD11 ILE 6 HD11 ILE 6 7.301 3.292 -3.209
59 HD12 ILE 6 HD12 ILE 6 6.600 4.662 -2.353
60 HD13 ILE 6 HD13 ILE 6 7.214 4.856 -3.999
61 H LYS 7 HN LYS 7 3.831 7.595 -2.178
62 HA LYS 7 HA LYS 7 1.188 8.199 -2.863
63 HB2 LYS 7 HB2 LYS 7 2.105 8.468 -0.592
64 HB3 LYS 7 HB1 LYS 7 3.121 9.795 -1.149
65 HG2 LYS 7 HG2 LYS 7 1.144 11.149 -1.679
66 HG3 LYS 7 HG1 LYS 7 0.090 9.804 -1.267
67 HD2 LYS 7 HD2 LYS 7 0.913 9.889 1.069
68 HD3 LYS 7 HD1 LYS 7 1.971 11.234 0.639
69 HE2 LYS 7 HE2 LYS 7 0.015 12.597 0.024
70 HE3 LYS 7 HE1 LYS 7 -1.059 11.252 0.420
71 HZ1 LYS 7 HZ1 LYS 7 -1.094 12.413 2.365
72 HZ2 LYS 7 HZ2 LYS 7 0.500 12.977 2.206
73 HZ3 LYS 7 HZ3 LYS 7 0.206 11.373 2.683
74 H LEU 8 HN LEU 8 4.089 10.219 -3.260
75 HA LEU 8 HA LEU 8 2.743 12.338 -4.565
76 HB2 LEU 8 HB2 LEU 8 5.081 12.333 -3.414
77 HB3 LEU 8 HB1 LEU 8 5.690 11.709 -4.933
78 HG LEU 8 HG LEU 8 4.544 13.729 -6.079
79 HD11 LEU 8 HD11 LEU 8 3.026 14.621 -4.467
80 HD12 LEU 8 HD12 LEU 8 4.346 15.768 -4.443
81 HD13 LEU 8 HD13 LEU 8 4.212 14.562 -3.166
82 HD21 LEU 8 HD21 LEU 8 6.987 13.613 -5.728
83 HD22 LEU 8 HD22 LEU 8 6.794 14.321 -4.123
84 HD23 LEU 8 HD23 LEU 8 6.392 15.264 -5.560
85 H ALA 9 HN ALA 9 4.509 9.530 -5.725
86 HA ALA 9 HA ALA 9 4.616 10.103 -8.418
87 HB1 ALA 9 HB1 ALA 9 5.682 8.121 -7.391
88 HB2 ALA 9 HB2 ALA 9 4.738 7.686 -8.817
89 HB3 ALA 9 HB3 ALA 9 4.093 7.376 -7.205
90 H LYS 10 HN LYS 10 1.975 8.578 -6.624
91 HA LYS 10 HA LYS 10 0.214 8.155 -8.812
92 HB2 LYS 10 HB2 LYS 10 -0.311 8.585 -5.856
93 HB3 LYS 10 HB1 LYS 10 -1.509 7.995 -6.992
94 HG2 LYS 10 HG2 LYS 10 1.146 6.544 -6.653
95 HG3 LYS 10 HG1 LYS 10 -0.193 6.228 -5.559
96 HD2 LYS 10 HD2 LYS 10 -1.602 5.574 -7.501
97 HD3 LYS 10 HD1 LYS 10 -0.240 5.854 -8.580
98 HE2 LYS 10 HE2 LYS 10 -0.203 3.880 -6.271
99 HE3 LYS 10 HE1 LYS 10 -0.477 3.443 -7.959
100 HZ1 LYS 10 HZ1 LYS 10 1.840 3.170 -7.295
101 HZ2 LYS 10 HZ2 LYS 10 1.935 4.823 -6.915
102 HZ3 LYS 10 HZ3 LYS 10 1.680 4.331 -8.522
103 H PHE 11 HN PHE 11 0.584 10.799 -6.502
104 HA PHE 11 HA PHE 11 -1.578 12.408 -7.275
105 HB2 PHE 11 HB2 PHE 11 -0.191 12.809 -5.278
106 HB3 PHE 11 HB1 PHE 11 1.160 13.252 -6.286
107 HD1 PHE 11 HD2 PHE 11 -2.431 14.142 -5.676
108 HD2 PHE 11 HD1 PHE 11 1.465 15.584 -6.846
109 HE1 PHE 11 HE2 PHE 11 -3.288 16.464 -5.703
110 HE2 PHE 11 HE1 PHE 11 0.591 17.898 -6.856
111 HZ PHE 11 HZ PHE 11 -1.780 18.339 -6.290
112 H LEU 12 HN LEU 12 1.786 12.427 -8.386
113 HA LEU 12 HA LEU 12 1.445 14.387 -10.445
114 HB2 LEU 12 HB2 LEU 12 3.478 12.138 -10.207
115 HB3 LEU 12 HB1 LEU 12 3.600 13.499 -11.323
116 HG LEU 12 HG LEU 12 3.538 13.726 -8.294
117 HD11 LEU 12 HD11 LEU 12 5.934 14.308 -8.502
118 HD12 LEU 12 HD12 LEU 12 5.849 14.004 -10.237
119 HD13 LEU 12 HD13 LEU 12 5.611 12.680 -9.096
120 HD21 LEU 12 HD21 LEU 12 4.439 16.117 -8.918
121 HD22 LEU 12 HD22 LEU 12 2.719 15.801 -9.023
122 HD23 LEU 12 HD23 LEU 12 3.700 15.804 -10.490
123 H GLY 13 HN GLY 13 1.299 10.857 -10.377
124 HA2 GLY 13 HA2 GLY 13 0.946 10.467 -13.151
125 HA3 GLY 13 HA1 GLY 13 0.524 9.330 -11.905
126 H GLY 14 HN GLY 14 -1.154 11.688 -10.757
127 HA2 GLY 14 HA2 GLY 14 -3.657 10.926 -12.082
128 HA3 GLY 14 HA1 GLY 14 -3.477 11.964 -10.665
129 H ILE 15 HN ILE 15 -1.653 13.784 -11.544
130 HA ILE 15 HA ILE 15 -3.247 15.595 -13.089
131 HB ILE 15 HB ILE 15 -0.343 15.826 -12.213
132 HG12 ILE 15 HG12 ILE 15 -2.833 16.962 -10.847
133 HG13 ILE 15 HG11 ILE 15 -2.065 15.465 -10.338
134 HG21 ILE 15 HG21 ILE 15 -2.370 17.912 -13.129
135 HG22 ILE 15 HG22 ILE 15 -0.895 17.455 -13.977
136 HG23 ILE 15 HG23 ILE 15 -0.796 18.299 -12.440
137 HD11 ILE 15 HD11 ILE 15 -0.671 18.152 -10.461
138 HD12 ILE 15 HD12 ILE 15 0.030 16.635 -9.897
139 HD13 ILE 15 HD13 ILE 15 -1.291 17.386 -9.003
140 H VAL 16 HN VAL 16 -0.314 13.647 -13.727
141 HA VAL 16 HA VAL 16 0.347 14.794 -16.171
142 HB VAL 16 HB VAL 16 1.573 12.916 -14.781
143 HG11 VAL 16 HG11 VAL 16 1.285 10.639 -15.525
144 HG12 VAL 16 HG12 VAL 16 0.131 11.110 -16.766
145 HG13 VAL 16 HG13 VAL 16 -0.299 11.254 -15.069
146 HG21 VAL 16 HG21 VAL 16 1.566 12.869 -17.825
147 HG22 VAL 16 HG22 VAL 16 2.847 12.198 -16.810
148 HG23 VAL 16 HG23 VAL 16 2.539 13.933 -16.809
149 H ARG 17 HN ARG 17 -1.931 12.199 -15.466
150 HA ARG 17 HA ARG 17 -2.776 11.709 -18.123
151 HB2 ARG 17 HB2 ARG 17 -3.116 10.101 -16.296
152 HB3 ARG 17 HB1 ARG 17 -4.163 11.243 -15.467
153 HG2 ARG 17 HG2 ARG 17 -5.487 9.538 -16.623
154 HG3 ARG 17 HG1 ARG 17 -5.798 11.110 -17.334
155 HD2 ARG 17 HD2 ARG 17 -4.465 10.579 -19.279
156 HD3 ARG 17 HD1 ARG 17 -3.765 9.161 -18.494
157 HE ARG 17 HE ARG 17 -6.571 8.858 -18.608
158 HH11 ARG 17 HH21 ARG 17 -3.781 8.982 -20.672
159 HH12 ARG 17 HH22 ARG 17 -4.481 7.983 -21.902
160 HH21 ARG 17 HH11 ARG 17 -7.482 7.550 -20.223
161 HH22 ARG 17 HH12 ARG 17 -6.571 7.174 -21.647
162 H ALA 18 HN ALA 18 -3.837 13.929 -15.570
163 HA ALA 18 HA ALA 18 -6.254 14.778 -16.681
164 HB1 ALA 18 HB1 ALA 18 -4.347 16.543 -15.116
165 HB2 ALA 18 HB2 ALA 18 -5.418 15.356 -14.380
166 HB3 ALA 18 HB3 ALA 18 -6.092 16.727 -15.261
167 H MET 19 HN MET 19 -2.959 15.978 -17.267
168 HA MET 19 HA MET 19 -3.553 18.176 -18.892
169 HB2 MET 19 HB2 MET 19 -1.214 16.258 -18.784
170 HB3 MET 19 HB1 MET 19 -1.211 17.710 -19.747
171 HG2 MET 19 HG2 MET 19 -1.582 19.066 -17.696
172 HG3 MET 19 HG1 MET 19 -1.550 17.585 -16.739
173 HE1 MET 19 HE1 MET 19 1.815 19.631 -16.120
174 HE2 MET 19 HE2 MET 19 0.328 19.048 -15.378
175 HE3 MET 19 HE3 MET 19 0.254 20.304 -16.611
176 H LEU 20 HN LEU 20 -2.583 14.889 -19.818
177 HA LEU 20 HA LEU 20 -3.036 15.191 -22.607
178 HB2 LEU 20 HB2 LEU 20 -2.730 12.849 -20.724
179 HB3 LEU 20 HB1 LEU 20 -3.269 12.538 -22.368
180 HG LEU 20 HG LEU 20 -1.245 13.638 -23.257
181 HD11 LEU 20 HD11 LEU 20 0.609 14.230 -21.640
182 HD12 LEU 20 HD12 LEU 20 -0.550 14.040 -20.325
183 HD13 LEU 20 HD13 LEU 20 -0.792 15.294 -21.544
184 HD21 LEU 20 HD21 LEU 20 -0.637 11.549 -21.134
185 HD22 LEU 20 HD22 LEU 20 0.401 11.941 -22.506
186 HD23 LEU 20 HD23 LEU 20 -1.184 11.215 -22.777
187 H GLY 21 HN GLY 21 -5.051 14.183 -19.928
188 HA2 GLY 21 HA2 GLY 21 -7.318 13.310 -21.410
189 HA3 GLY 21 HA1 GLY 21 -7.337 13.865 -19.735
190 H SER 22 HN SER 22 -6.178 16.423 -20.292
191 HA SER 22 HA SER 22 -8.547 17.924 -20.905
192 HB2 SER 22 HB2 SER 22 -6.634 18.620 -19.346
193 HB3 SER 22 HB1 SER 22 -5.728 19.044 -20.790
194 HG SER 22 HG SER 22 -8.332 19.989 -20.149
195 H PHE 23 HN PHE 23 -5.570 17.143 -22.627
196 HA PHE 23 HA PHE 23 -5.974 18.785 -24.897
197 HB2 PHE 23 HB2 PHE 23 -3.816 17.705 -24.213
198 HB3 PHE 23 HB1 PHE 23 -4.479 16.157 -24.713
199 HD1 PHE 23 HD2 PHE 23 -3.577 19.572 -25.930
200 HD2 PHE 23 HD1 PHE 23 -4.506 15.527 -27.077
201 HE1 PHE 23 HE2 PHE 23 -2.896 20.068 -28.260
202 HE2 PHE 23 HE1 PHE 23 -3.824 16.033 -29.401
203 HZ PHE 23 HZ PHE 23 -3.019 18.302 -29.994
204 H ARG 24 HN ARG 24 -8.206 18.457 -25.314
205 HA ARG 24 HA ARG 24 -8.966 15.935 -26.723
206 HB2 ARG 24 HB2 ARG 24 -10.696 18.061 -25.410
207 HB3 ARG 24 HB1 ARG 24 -11.301 16.634 -26.253
208 HG2 ARG 24 HG2 ARG 24 -10.127 15.175 -24.646
209 HG3 ARG 24 HG1 ARG 24 -9.508 16.597 -23.807
210 HD2 ARG 24 HD2 ARG 24 -11.814 17.311 -23.299
211 HD3 ARG 24 HD1 ARG 24 -12.443 15.891 -24.135
212 HE ARG 24 HE ARG 24 -11.329 15.977 -21.472
213 HH11 ARG 24 HH21 ARG 24 -11.780 13.997 -24.289
214 HH12 ARG 24 HH22 ARG 24 -11.698 12.504 -23.415
215 HH21 ARG 24 HH11 ARG 24 -11.219 14.023 -20.335
216 HH22 ARG 24 HH12 ARG 24 -11.380 12.518 -21.179
217 H LYS 25 HN LYS 25 -10.128 16.107 -28.669
218 HA LYS 25 HA LYS 25 -9.237 18.126 -30.468
219 HB2 LYS 25 HB2 LYS 25 -11.545 16.169 -30.752
220 HB3 LYS 25 HB1 LYS 25 -10.792 17.059 -32.073
221 HG2 LYS 25 HG2 LYS 25 -9.233 15.125 -30.300
222 HG3 LYS 25 HG1 LYS 25 -10.038 14.615 -31.781
223 HD2 LYS 25 HD2 LYS 25 -8.672 16.310 -33.049
224 HD3 LYS 25 HD1 LYS 25 -7.799 16.671 -31.564
225 HE2 LYS 25 HE2 LYS 25 -7.935 13.934 -32.856
226 HE3 LYS 25 HE1 LYS 25 -6.570 15.044 -32.960
227 HZ1 LYS 25 HZ1 LYS 25 -6.385 14.982 -30.549
228 HZ2 LYS 25 HZ2 LYS 25 -6.230 13.427 -31.216
229 HZ3 LYS 25 HZ3 LYS 25 -7.679 13.889 -30.460
230 H ASP 26 HN ASP 26 -10.315 19.874 -31.365
231 HA ASP 26 HA ASP 26 -12.055 21.338 -29.709
232 HB2 ASP 26 HB2 ASP 26 -11.545 21.609 -32.686
233 HB3 ASP 26 HB1 ASP 26 -12.331 22.828 -31.683
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 11.901 2.026 -1.100
2 H2 MET 1 HT2 MET 1 13.451 1.938 -1.792
3 H3 MET 1 HT3 MET 1 12.093 2.197 -2.777
4 HA MET 1 HA MET 1 13.660 4.078 -1.278
5 HB2 MET 1 HB2 MET 1 11.591 4.248 -3.504
6 HB3 MET 1 HB1 MET 1 12.535 5.622 -2.932
7 HG2 MET 1 HG2 MET 1 14.619 4.498 -3.571
8 HG3 MET 1 HG1 MET 1 13.727 3.058 -4.046
9 HE1 MET 1 HE1 MET 1 14.323 6.734 -4.459
10 HE2 MET 1 HE2 MET 1 12.654 6.996 -4.958
11 HE3 MET 1 HE3 MET 1 13.950 7.115 -6.144
12 H LYS 2 HN LYS 2 12.161 6.273 -1.073
13 HA LYS 2 HA LYS 2 10.628 5.843 1.312
14 HB2 LYS 2 HB2 LYS 2 10.965 8.293 -0.463
15 HB3 LYS 2 HB1 LYS 2 10.153 8.307 1.105
16 HG2 LYS 2 HG2 LYS 2 12.226 7.497 2.189
17 HG3 LYS 2 HG1 LYS 2 13.039 7.498 0.624
18 HD2 LYS 2 HD2 LYS 2 12.692 9.926 0.412
19 HD3 LYS 2 HD1 LYS 2 11.830 9.948 1.952
20 HE2 LYS 2 HE2 LYS 2 13.854 9.195 3.120
21 HE3 LYS 2 HE1 LYS 2 14.727 9.096 1.591
22 HZ1 LYS 2 HZ1 LYS 2 13.935 11.561 1.395
23 HZ2 LYS 2 HZ2 LYS 2 15.324 11.165 2.289
24 HZ3 LYS 2 HZ3 LYS 2 13.852 11.462 3.086
25 H PHE 3 HN PHE 3 8.449 5.878 1.639
26 HA PHE 3 HA PHE 3 6.717 4.997 -0.437
27 HB2 PHE 3 HB2 PHE 3 6.025 6.163 2.284
28 HB3 PHE 3 HB1 PHE 3 4.938 5.236 1.248
29 HD1 PHE 3 HD2 PHE 3 5.407 2.813 0.752
30 HD2 PHE 3 HD1 PHE 3 7.752 5.024 3.606
31 HE1 PHE 3 HE2 PHE 3 6.294 0.693 1.673
32 HE2 PHE 3 HE1 PHE 3 8.632 2.896 4.520
33 HZ PHE 3 HZ PHE 3 7.907 0.733 3.552
34 H TYR 4 HN TYR 4 7.698 8.098 0.660
35 HA TYR 4 HA TYR 4 5.498 9.666 -0.115
36 HB2 TYR 4 HB2 TYR 4 6.974 10.775 1.328
37 HB3 TYR 4 HB1 TYR 4 8.396 10.092 0.559
38 HD1 TYR 4 HD1 TYR 4 9.337 11.072 -1.481
39 HD2 TYR 4 HD2 TYR 4 5.925 12.841 0.443
40 HE1 TYR 4 HE1 TYR 4 9.683 13.153 -2.782
41 HE2 TYR 4 HE2 TYR 4 6.272 14.926 -0.861
42 HH TYR 4 HH TYR 4 8.165 16.076 -2.009
43 H THR 5 HN THR 5 8.312 8.501 -1.915
44 HA THR 5 HA THR 5 7.982 10.047 -4.232
45 HB THR 5 HB THR 5 9.079 7.224 -4.026
46 HG1 THR 5 HG1 THR 5 11.026 8.279 -3.622
47 HG21 THR 5 HG21 THR 5 10.491 7.967 -5.948
48 HG22 THR 5 HG22 THR 5 9.574 9.471 -6.012
49 HG23 THR 5 HG23 THR 5 8.777 7.935 -6.354
50 H ILE 6 HN ILE 6 6.696 6.788 -3.466
51 HA ILE 6 HA ILE 6 5.330 6.473 -5.950
52 HB ILE 6 HB ILE 6 4.684 5.135 -3.295
53 HG12 ILE 6 HG12 ILE 6 6.087 3.240 -4.833
54 HG13 ILE 6 HG11 ILE 6 6.949 4.713 -5.248
55 HG21 ILE 6 HG21 ILE 6 3.748 3.344 -4.794
56 HG22 ILE 6 HG22 ILE 6 3.999 4.413 -6.174
57 HG23 ILE 6 HG23 ILE 6 2.867 4.866 -4.898
58 HD11 ILE 6 HD11 ILE 6 7.991 3.635 -3.322
59 HD12 ILE 6 HD12 ILE 6 6.455 3.644 -2.456
60 HD13 ILE 6 HD13 ILE 6 7.269 5.160 -2.821
61 H LYS 7 HN LYS 7 4.363 7.654 -2.754
62 HA LYS 7 HA LYS 7 1.625 7.997 -3.234
63 HB2 LYS 7 HB2 LYS 7 2.697 8.122 -1.006
64 HB3 LYS 7 HB1 LYS 7 3.459 9.641 -1.471
65 HG2 LYS 7 HG2 LYS 7 1.311 10.763 -1.645
66 HG3 LYS 7 HG1 LYS 7 0.446 9.244 -1.496
67 HD2 LYS 7 HD2 LYS 7 0.312 10.403 0.638
68 HD3 LYS 7 HD1 LYS 7 1.366 9.007 0.844
69 HE2 LYS 7 HE2 LYS 7 3.342 10.415 0.787
70 HE3 LYS 7 HE1 LYS 7 2.400 11.813 0.268
71 HZ1 LYS 7 HZ1 LYS 7 2.226 12.295 2.402
72 HZ2 LYS 7 HZ2 LYS 7 2.824 10.784 2.894
73 HZ3 LYS 7 HZ3 LYS 7 1.172 10.976 2.552
74 H LEU 8 HN LEU 8 4.289 10.335 -3.613
75 HA LEU 8 HA LEU 8 2.666 12.450 -4.563
76 HB2 LEU 8 HB2 LEU 8 5.018 12.697 -3.655
77 HB3 LEU 8 HB1 LEU 8 5.619 11.995 -5.146
78 HG LEU 8 HG LEU 8 4.520 13.850 -6.436
79 HD11 LEU 8 HD11 LEU 8 2.748 14.746 -5.204
80 HD12 LEU 8 HD12 LEU 8 3.971 15.957 -4.880
81 HD13 LEU 8 HD13 LEU 8 3.624 14.715 -3.677
82 HD21 LEU 8 HD21 LEU 8 6.435 14.751 -4.264
83 HD22 LEU 8 HD22 LEU 8 6.125 15.608 -5.774
84 HD23 LEU 8 HD23 LEU 8 6.886 14.018 -5.804
85 H ALA 9 HN ALA 9 4.543 9.923 -6.123
86 HA ALA 9 HA ALA 9 4.236 10.681 -8.780
87 HB1 ALA 9 HB1 ALA 9 4.285 7.864 -7.672
88 HB2 ALA 9 HB2 ALA 9 5.701 8.827 -8.095
89 HB3 ALA 9 HB3 ALA 9 4.580 8.306 -9.352
90 H LYS 10 HN LYS 10 2.076 8.973 -6.625
91 HA LYS 10 HA LYS 10 0.066 8.278 -8.529
92 HB2 LYS 10 HB2 LYS 10 0.522 7.377 -6.108
93 HB3 LYS 10 HB1 LYS 10 -0.417 8.750 -5.564
94 HG2 LYS 10 HG2 LYS 10 -2.106 7.108 -5.728
95 HG3 LYS 10 HG1 LYS 10 -2.230 7.872 -7.304
96 HD2 LYS 10 HD2 LYS 10 -2.213 5.563 -7.868
97 HD3 LYS 10 HD1 LYS 10 -0.525 5.991 -8.089
98 HE2 LYS 10 HE2 LYS 10 -0.769 3.863 -6.844
99 HE3 LYS 10 HE1 LYS 10 0.008 5.083 -5.842
100 HZ1 LYS 10 HZ1 LYS 10 -2.224 3.644 -5.205
101 HZ2 LYS 10 HZ2 LYS 10 -2.840 5.169 -5.633
102 HZ3 LYS 10 HZ3 LYS 10 -1.671 5.036 -4.407
103 H PHE 11 HN PHE 11 0.548 11.023 -6.335
104 HA PHE 11 HA PHE 11 -1.868 12.401 -6.857
105 HB2 PHE 11 HB2 PHE 11 -0.374 12.962 -4.994
106 HB3 PHE 11 HB1 PHE 11 0.878 13.442 -6.101
107 HD1 PHE 11 HD2 PHE 11 -2.729 14.157 -5.353
108 HD2 PHE 11 HD1 PHE 11 1.057 15.791 -6.644
109 HE1 PHE 11 HE2 PHE 11 -3.704 16.431 -5.369
110 HE2 PHE 11 HE1 PHE 11 0.059 18.056 -6.644
111 HZ PHE 11 HZ PHE 11 -2.314 18.377 -6.008
112 H LEU 12 HN LEU 12 1.357 12.631 -8.269
113 HA LEU 12 HA LEU 12 0.743 14.552 -10.289
114 HB2 LEU 12 HB2 LEU 12 2.890 12.411 -10.188
115 HB3 LEU 12 HB1 LEU 12 2.864 13.739 -11.345
116 HG LEU 12 HG LEU 12 2.989 14.104 -8.325
117 HD11 LEU 12 HD11 LEU 12 5.199 14.268 -10.399
118 HD12 LEU 12 HD12 LEU 12 5.032 13.025 -9.157
119 HD13 LEU 12 HD13 LEU 12 5.371 14.693 -8.695
120 HD21 LEU 12 HD21 LEU 12 2.093 16.122 -9.216
121 HD22 LEU 12 HD22 LEU 12 3.118 16.060 -10.648
122 HD23 LEU 12 HD23 LEU 12 3.810 16.455 -9.078
123 H GLY 13 HN GLY 13 0.734 11.024 -10.194
124 HA2 GLY 13 HA2 GLY 13 0.246 10.527 -12.911
125 HA3 GLY 13 HA1 GLY 13 -0.170 9.454 -11.600
126 H GLY 14 HN GLY 14 -1.851 11.686 -10.409
127 HA2 GLY 14 HA2 GLY 14 -4.354 10.976 -11.719
128 HA3 GLY 14 HA1 GLY 14 -4.148 12.061 -10.342
129 H ILE 15 HN ILE 15 -2.336 13.825 -11.291
130 HA ILE 15 HA ILE 15 -3.919 15.637 -12.835
131 HB ILE 15 HB ILE 15 -0.997 15.817 -12.000
132 HG12 ILE 15 HG12 ILE 15 -3.437 16.970 -10.557
133 HG13 ILE 15 HG11 ILE 15 -2.674 15.458 -10.086
134 HG21 ILE 15 HG21 ILE 15 -1.364 18.276 -12.196
135 HG22 ILE 15 HG22 ILE 15 -3.000 17.978 -12.774
136 HG23 ILE 15 HG23 ILE 15 -1.615 17.477 -13.740
137 HD11 ILE 15 HD11 ILE 15 -1.828 17.326 -8.740
138 HD12 ILE 15 HD12 ILE 15 -1.276 18.140 -10.197
139 HD13 ILE 15 HD13 ILE 15 -0.543 16.610 -9.712
140 H VAL 16 HN VAL 16 -1.006 13.685 -13.509
141 HA VAL 16 HA VAL 16 -0.339 14.833 -15.944
142 HB VAL 16 HB VAL 16 0.853 12.944 -14.512
143 HG11 VAL 16 HG11 VAL 16 0.633 10.678 -15.322
144 HG12 VAL 16 HG12 VAL 16 -0.504 11.167 -16.576
145 HG13 VAL 16 HG13 VAL 16 -0.963 11.264 -14.886
146 HG21 VAL 16 HG21 VAL 16 2.234 12.280 -16.462
147 HG22 VAL 16 HG22 VAL 16 1.889 14.008 -16.488
148 HG23 VAL 16 HG23 VAL 16 0.998 12.917 -17.551
149 H ARG 17 HN ARG 17 -2.557 12.128 -15.332
150 HA ARG 17 HA ARG 17 -3.354 11.720 -17.998
151 HB2 ARG 17 HB2 ARG 17 -3.750 10.076 -16.232
152 HB3 ARG 17 HB1 ARG 17 -4.773 11.220 -15.377
153 HG2 ARG 17 HG2 ARG 17 -6.088 9.507 -16.616
154 HG3 ARG 17 HG1 ARG 17 -6.460 11.132 -17.155
155 HD2 ARG 17 HD2 ARG 17 -5.192 10.844 -19.185
156 HD3 ARG 17 HD1 ARG 17 -4.418 9.375 -18.582
157 HE ARG 17 HE ARG 17 -6.983 9.583 -19.861
158 HH11 ARG 17 HH21 ARG 17 -5.178 7.825 -17.466
159 HH12 ARG 17 HH22 ARG 17 -6.128 6.385 -17.619
160 HH21 ARG 17 HH11 ARG 17 -8.201 7.702 -20.068
161 HH22 ARG 17 HH12 ARG 17 -7.846 6.315 -19.093
162 H ALA 18 HN ALA 18 -4.518 13.883 -15.432
163 HA ALA 18 HA ALA 18 -6.854 14.785 -16.711
164 HB1 ALA 18 HB1 ALA 18 -5.121 16.445 -14.856
165 HB2 ALA 18 HB2 ALA 18 -6.228 15.195 -14.299
166 HB3 ALA 18 HB3 ALA 18 -6.854 16.612 -15.141
167 H MET 19 HN MET 19 -3.514 15.969 -16.836
168 HA MET 19 HA MET 19 -3.954 18.241 -18.455
169 HB2 MET 19 HB2 MET 19 -1.575 16.471 -17.841
170 HB3 MET 19 HB1 MET 19 -1.435 17.850 -18.901
171 HG2 MET 19 HG2 MET 19 -2.258 19.328 -17.080
172 HG3 MET 19 HG1 MET 19 -2.384 17.924 -16.029
173 HE1 MET 19 HE1 MET 19 0.275 19.555 -18.544
174 HE2 MET 19 HE2 MET 19 1.383 20.179 -17.330
175 HE3 MET 19 HE3 MET 19 -0.289 20.727 -17.346
176 H LEU 20 HN LEU 20 -2.646 15.031 -19.271
177 HA LEU 20 HA LEU 20 -2.593 15.427 -22.080
178 HB2 LEU 20 HB2 LEU 20 -2.527 13.001 -20.282
179 HB3 LEU 20 HB1 LEU 20 -2.716 12.756 -22.008
180 HG LEU 20 HG LEU 20 -0.366 12.535 -21.330
181 HD11 LEU 20 HD11 LEU 20 -1.065 13.671 -23.586
182 HD12 LEU 20 HD12 LEU 20 0.614 13.719 -23.069
183 HD13 LEU 20 HD13 LEU 20 -0.398 15.139 -22.863
184 HD21 LEU 20 HD21 LEU 20 0.910 14.479 -20.484
185 HD22 LEU 20 HD22 LEU 20 -0.358 13.987 -19.377
186 HD23 LEU 20 HD23 LEU 20 -0.581 15.408 -20.388
187 H GLY 21 HN GLY 21 -4.970 14.167 -19.868
188 HA2 GLY 21 HA2 GLY 21 -6.890 13.275 -21.767
189 HA3 GLY 21 HA1 GLY 21 -7.217 13.692 -20.084
190 H SER 22 HN SER 22 -6.059 16.356 -20.394
191 HA SER 22 HA SER 22 -8.440 17.755 -21.385
192 HB2 SER 22 HB2 SER 22 -5.984 18.624 -19.842
193 HB3 SER 22 HB1 SER 22 -7.247 19.747 -20.361
194 HG SER 22 HG SER 22 -8.701 18.130 -19.294
195 H PHE 23 HN PHE 23 -5.318 16.926 -22.542
196 HA PHE 23 HA PHE 23 -4.729 19.160 -24.178
197 HB2 PHE 23 HB2 PHE 23 -3.090 17.380 -23.647
198 HB3 PHE 23 HB1 PHE 23 -4.008 16.247 -24.629
199 HD1 PHE 23 HD2 PHE 23 -1.882 19.288 -24.711
200 HD2 PHE 23 HD1 PHE 23 -3.966 16.373 -27.091
201 HE1 PHE 23 HE2 PHE 23 -0.699 20.088 -26.734
202 HE2 PHE 23 HE1 PHE 23 -2.779 17.181 -29.111
203 HZ PHE 23 HZ PHE 23 -1.148 19.038 -28.933
204 H ARG 24 HN ARG 24 -6.577 16.199 -24.774
205 HA ARG 24 HA ARG 24 -7.067 16.171 -27.435
206 HB2 ARG 24 HB2 ARG 24 -9.116 15.783 -25.233
207 HB3 ARG 24 HB1 ARG 24 -9.312 15.224 -26.895
208 HG2 ARG 24 HG2 ARG 24 -7.284 13.820 -26.658
209 HG3 ARG 24 HG1 ARG 24 -7.100 14.372 -24.994
210 HD2 ARG 24 HD2 ARG 24 -9.330 13.424 -24.448
211 HD3 ARG 24 HD1 ARG 24 -9.471 12.830 -26.102
212 HE ARG 24 HE ARG 24 -7.895 11.675 -23.967
213 HH11 ARG 24 HH21 ARG 24 -8.209 12.037 -27.407
214 HH12 ARG 24 HH22 ARG 24 -7.283 10.619 -27.775
215 HH21 ARG 24 HH11 ARG 24 -6.682 9.825 -24.453
216 HH22 ARG 24 HH12 ARG 24 -6.429 9.363 -26.103
217 H LYS 25 HN LYS 25 -7.322 17.972 -28.670
218 HA LYS 25 HA LYS 25 -8.788 20.295 -27.952
219 HB2 LYS 25 HB2 LYS 25 -7.008 20.227 -29.684
220 HB3 LYS 25 HB1 LYS 25 -8.068 19.273 -30.721
221 HG2 LYS 25 HG2 LYS 25 -9.700 21.119 -30.791
222 HG3 LYS 25 HG1 LYS 25 -8.701 22.064 -29.685
223 HD2 LYS 25 HD2 LYS 25 -6.871 22.071 -31.350
224 HD3 LYS 25 HD1 LYS 25 -7.872 21.128 -32.456
225 HE2 LYS 25 HE2 LYS 25 -9.541 22.955 -32.496
226 HE3 LYS 25 HE1 LYS 25 -8.532 23.897 -31.398
227 HZ1 LYS 25 HZ1 LYS 25 -8.374 24.173 -33.995
228 HZ2 LYS 25 HZ2 LYS 25 -7.300 22.867 -33.841
229 HZ3 LYS 25 HZ3 LYS 25 -7.004 24.317 -33.007
230 H ASP 26 HN ASP 26 -9.610 17.459 -29.940
231 HA ASP 26 HA ASP 26 -12.326 18.353 -30.452
232 HB2 ASP 26 HB2 ASP 26 -10.957 15.672 -30.868
233 HB3 ASP 26 HB1 ASP 26 -12.585 16.061 -31.422
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 12.204 1.880 -2.055
2 H2 MET 1 HT2 MET 1 11.964 1.746 -3.732
3 H3 MET 1 HT3 MET 1 10.662 2.136 -2.712
4 HA MET 1 HA MET 1 13.058 3.844 -3.117
5 HB2 MET 1 HB2 MET 1 10.237 4.038 -4.230
6 HB3 MET 1 HB1 MET 1 11.460 5.296 -4.390
7 HG2 MET 1 HG2 MET 1 12.934 3.686 -5.583
8 HG3 MET 1 HG1 MET 1 11.669 2.467 -5.474
9 HE1 MET 1 HE1 MET 1 8.953 3.473 -7.819
10 HE2 MET 1 HE2 MET 1 8.841 4.203 -6.223
11 HE3 MET 1 HE3 MET 1 9.458 2.563 -6.392
12 H LYS 2 HN LYS 2 12.099 6.204 -2.567
13 HA LYS 2 HA LYS 2 11.574 6.192 0.250
14 HB2 LYS 2 HB2 LYS 2 11.277 8.522 -1.694
15 HB3 LYS 2 HB1 LYS 2 11.523 8.621 0.048
16 HG2 LYS 2 HG2 LYS 2 13.531 7.457 -1.919
17 HG3 LYS 2 HG1 LYS 2 13.599 9.090 -1.269
18 HD2 LYS 2 HD2 LYS 2 13.764 8.105 1.044
19 HD3 LYS 2 HD1 LYS 2 13.844 6.503 0.319
20 HE2 LYS 2 HE2 LYS 2 15.866 7.137 -0.925
21 HE3 LYS 2 HE1 LYS 2 15.803 8.747 -0.208
22 HZ1 LYS 2 HZ1 LYS 2 17.154 6.692 0.839
23 HZ2 LYS 2 HZ2 LYS 2 15.681 6.557 1.676
24 HZ3 LYS 2 HZ3 LYS 2 16.572 8.002 1.746
25 H PHE 3 HN PHE 3 9.701 6.557 1.369
26 HA PHE 3 HA PHE 3 7.247 5.757 0.266
27 HB2 PHE 3 HB2 PHE 3 6.254 6.572 2.373
28 HB3 PHE 3 HB1 PHE 3 7.720 5.639 2.667
29 HD1 PHE 3 HD2 PHE 3 6.251 9.043 2.659
30 HD2 PHE 3 HD1 PHE 3 9.799 6.738 3.438
31 HE1 PHE 3 HE2 PHE 3 7.268 10.990 3.804
32 HE2 PHE 3 HE1 PHE 3 10.813 8.693 4.577
33 HZ PHE 3 HZ PHE 3 9.548 10.817 4.761
34 H TYR 4 HN TYR 4 8.770 8.870 0.497
35 HA TYR 4 HA TYR 4 6.551 10.548 0.027
36 HB2 TYR 4 HB2 TYR 4 8.462 11.658 0.862
37 HB3 TYR 4 HB1 TYR 4 9.557 10.737 -0.156
38 HD1 TYR 4 HD1 TYR 4 9.738 11.231 -2.591
39 HD2 TYR 4 HD2 TYR 4 7.539 13.792 0.072
40 HE1 TYR 4 HE1 TYR 4 9.838 13.060 -4.265
41 HE2 TYR 4 HE2 TYR 4 7.637 15.619 -1.604
42 HH TYR 4 HH TYR 4 9.475 15.254 -4.618
43 H THR 5 HN THR 5 8.719 8.773 -2.115
44 HA THR 5 HA THR 5 7.968 9.956 -4.547
45 HB THR 5 HB THR 5 8.836 7.080 -4.109
46 HG1 THR 5 HG1 THR 5 10.112 8.968 -3.223
47 HG21 THR 5 HG21 THR 5 9.093 8.956 -6.482
48 HG22 THR 5 HG22 THR 5 8.058 7.531 -6.398
49 HG23 THR 5 HG23 THR 5 9.810 7.349 -6.377
50 H ILE 6 HN ILE 6 6.569 7.131 -2.837
51 HA ILE 6 HA ILE 6 4.691 6.453 -4.860
52 HB ILE 6 HB ILE 6 4.657 5.951 -1.855
53 HG12 ILE 6 HG12 ILE 6 5.164 3.589 -2.587
54 HG13 ILE 6 HG11 ILE 6 5.255 4.156 -4.249
55 HG21 ILE 6 HG21 ILE 6 2.717 4.985 -3.998
56 HG22 ILE 6 HG22 ILE 6 2.322 5.864 -2.521
57 HG23 ILE 6 HG23 ILE 6 2.872 4.196 -2.427
58 HD11 ILE 6 HD11 ILE 6 7.004 5.418 -2.140
59 HD12 ILE 6 HD12 ILE 6 7.248 5.297 -3.882
60 HD13 ILE 6 HD13 ILE 6 7.447 3.879 -2.871
61 H LYS 7 HN LYS 7 4.509 8.608 -2.049
62 HA LYS 7 HA LYS 7 1.799 9.324 -2.266
63 HB2 LYS 7 HB2 LYS 7 3.176 9.836 -0.301
64 HB3 LYS 7 HB1 LYS 7 4.173 10.925 -1.258
65 HG2 LYS 7 HG2 LYS 7 2.260 12.423 -1.624
66 HG3 LYS 7 HG1 LYS 7 1.199 11.300 -0.786
67 HD2 LYS 7 HD2 LYS 7 2.457 11.639 1.302
68 HD3 LYS 7 HD1 LYS 7 3.589 12.700 0.463
69 HE2 LYS 7 HE2 LYS 7 1.919 14.033 1.680
70 HE3 LYS 7 HE1 LYS 7 1.729 14.256 -0.061
71 HZ1 LYS 7 HZ1 LYS 7 -0.229 13.516 1.675
72 HZ2 LYS 7 HZ2 LYS 7 0.213 12.044 0.953
73 HZ3 LYS 7 HZ3 LYS 7 -0.287 13.351 -0.011
74 H LEU 8 HN LEU 8 4.683 10.962 -3.581
75 HA LEU 8 HA LEU 8 3.223 12.973 -4.940
76 HB2 LEU 8 HB2 LEU 8 5.735 12.950 -4.289
77 HB3 LEU 8 HB1 LEU 8 5.988 12.006 -5.744
78 HG LEU 8 HG LEU 8 4.682 13.937 -6.984
79 HD11 LEU 8 HD11 LEU 8 3.833 15.199 -5.066
80 HD12 LEU 8 HD12 LEU 8 5.019 16.199 -5.880
81 HD13 LEU 8 HD13 LEU 8 5.452 15.355 -4.394
82 HD21 LEU 8 HD21 LEU 8 6.754 15.254 -7.268
83 HD22 LEU 8 HD22 LEU 8 7.093 13.525 -7.293
84 HD23 LEU 8 HD23 LEU 8 7.450 14.470 -5.848
85 H ALA 9 HN ALA 9 4.546 9.875 -5.924
86 HA ALA 9 HA ALA 9 4.051 10.013 -8.651
87 HB1 ALA 9 HB1 ALA 9 5.322 8.169 -7.628
88 HB2 ALA 9 HB2 ALA 9 4.016 7.545 -8.632
89 HB3 ALA 9 HB3 ALA 9 3.842 7.566 -6.875
90 H LYS 10 HN LYS 10 1.931 9.179 -5.992
91 HA LYS 10 HA LYS 10 -0.324 8.371 -7.556
92 HB2 LYS 10 HB2 LYS 10 0.290 7.953 -5.030
93 HB3 LYS 10 HB1 LYS 10 -0.497 9.486 -4.728
94 HG2 LYS 10 HG2 LYS 10 -2.593 8.657 -5.680
95 HG3 LYS 10 HG1 LYS 10 -1.829 7.144 -6.163
96 HD2 LYS 10 HD2 LYS 10 -1.861 7.995 -3.233
97 HD3 LYS 10 HD1 LYS 10 -3.235 7.157 -3.939
98 HE2 LYS 10 HE2 LYS 10 -0.384 6.071 -3.871
99 HE3 LYS 10 HE1 LYS 10 -1.712 5.568 -2.833
100 HZ1 LYS 10 HZ1 LYS 10 -1.227 4.974 -5.631
101 HZ2 LYS 10 HZ2 LYS 10 -2.843 5.287 -5.210
102 HZ3 LYS 10 HZ3 LYS 10 -1.985 4.042 -4.436
103 H PHE 11 HN PHE 11 0.710 11.424 -6.086
104 HA PHE 11 HA PHE 11 -1.588 12.971 -6.653
105 HB2 PHE 11 HB2 PHE 11 0.204 13.679 -5.126
106 HB3 PHE 11 HB1 PHE 11 1.335 13.757 -6.450
107 HD1 PHE 11 HD1 PHE 11 -2.051 15.090 -5.493
108 HD2 PHE 11 HD2 PHE 11 1.716 15.919 -7.439
109 HE1 PHE 11 HE1 PHE 11 -2.748 17.434 -5.870
110 HE2 PHE 11 HE2 PHE 11 0.994 18.257 -7.808
111 HZ PHE 11 HZ PHE 11 -1.229 19.016 -7.023
112 H LEU 12 HN LEU 12 1.447 12.529 -8.391
113 HA LEU 12 HA LEU 12 0.722 13.995 -10.748
114 HB2 LEU 12 HB2 LEU 12 2.795 11.810 -10.340
115 HB3 LEU 12 HB1 LEU 12 2.712 12.879 -11.740
116 HG LEU 12 HG LEU 12 3.138 13.805 -8.874
117 HD11 LEU 12 HD11 LEU 12 5.475 14.250 -9.600
118 HD12 LEU 12 HD12 LEU 12 5.115 13.507 -11.159
119 HD13 LEU 12 HD13 LEU 12 5.068 12.535 -9.688
120 HD21 LEU 12 HD21 LEU 12 2.200 15.667 -9.972
121 HD22 LEU 12 HD22 LEU 12 2.981 15.296 -11.510
122 HD23 LEU 12 HD23 LEU 12 3.920 15.948 -10.168
123 H GLY 13 HN GLY 13 0.603 10.609 -9.809
124 HA2 GLY 13 HA2 GLY 13 -0.080 9.482 -12.278
125 HA3 GLY 13 HA1 GLY 13 -0.424 8.780 -10.725
126 H GLY 14 HN GLY 14 -1.960 11.425 -10.186
127 HA2 GLY 14 HA2 GLY 14 -4.560 10.453 -11.213
128 HA3 GLY 14 HA1 GLY 14 -4.302 11.702 -9.994
129 H ILE 15 HN ILE 15 -2.484 13.301 -11.207
130 HA ILE 15 HA ILE 15 -4.078 14.907 -12.969
131 HB ILE 15 HB ILE 15 -1.171 15.153 -12.128
132 HG12 ILE 15 HG12 ILE 15 -3.623 16.568 -10.976
133 HG13 ILE 15 HG11 ILE 15 -2.916 15.133 -10.247
134 HG21 ILE 15 HG21 ILE 15 -3.083 17.148 -13.423
135 HG22 ILE 15 HG22 ILE 15 -1.571 16.543 -14.096
136 HG23 ILE 15 HG23 ILE 15 -1.542 17.606 -12.702
137 HD11 ILE 15 HD11 ILE 15 -1.470 17.751 -10.707
138 HD12 ILE 15 HD12 ILE 15 -0.765 16.297 -10.000
139 HD13 ILE 15 HD13 ILE 15 -2.065 17.145 -9.163
140 H VAL 16 HN VAL 16 -1.465 12.570 -13.425
141 HA VAL 16 HA VAL 16 -0.521 13.397 -15.901
142 HB VAL 16 HB VAL 16 0.410 11.499 -14.505
143 HG11 VAL 16 HG11 VAL 16 -0.529 9.289 -14.644
144 HG12 VAL 16 HG12 VAL 16 -1.714 9.782 -15.846
145 HG13 VAL 16 HG13 VAL 16 -1.835 10.379 -14.197
146 HG21 VAL 16 HG21 VAL 16 1.209 11.855 -16.806
147 HG22 VAL 16 HG22 VAL 16 -0.129 10.898 -17.443
148 HG23 VAL 16 HG23 VAL 16 1.122 10.126 -16.467
149 H ARG 17 HN ARG 17 -3.337 11.404 -15.142
150 HA ARG 17 HA ARG 17 -4.155 10.903 -17.822
151 HB2 ARG 17 HB2 ARG 17 -4.814 9.520 -15.859
152 HB3 ARG 17 HB1 ARG 17 -5.718 10.884 -15.222
153 HG2 ARG 17 HG2 ARG 17 -7.379 9.538 -16.266
154 HG3 ARG 17 HG1 ARG 17 -7.086 10.793 -17.452
155 HD2 ARG 17 HD2 ARG 17 -7.197 8.587 -18.527
156 HD3 ARG 17 HD1 ARG 17 -5.584 9.253 -18.693
157 HE ARG 17 HE ARG 17 -4.772 7.527 -17.363
158 HH11 ARG 17 HH21 ARG 17 -8.218 7.778 -17.025
159 HH12 ARG 17 HH22 ARG 17 -8.368 6.317 -16.105
160 HH21 ARG 17 HH11 ARG 17 -4.972 5.621 -16.156
161 HH22 ARG 17 HH12 ARG 17 -6.531 5.100 -15.613
162 H ALA 18 HN ALA 18 -4.931 13.355 -15.390
163 HA ALA 18 HA ALA 18 -7.077 14.599 -16.661
164 HB1 ALA 18 HB1 ALA 18 -6.624 16.513 -15.241
165 HB2 ALA 18 HB2 ALA 18 -4.972 15.966 -14.968
166 HB3 ALA 18 HB3 ALA 18 -6.324 15.038 -14.324
167 H MET 19 HN MET 19 -3.596 15.098 -17.095
168 HA MET 19 HA MET 19 -3.669 17.403 -18.689
169 HB2 MET 19 HB2 MET 19 -1.778 15.048 -18.475
170 HB3 MET 19 HB1 MET 19 -1.437 16.426 -19.490
171 HG2 MET 19 HG2 MET 19 -1.508 17.925 -17.545
172 HG3 MET 19 HG1 MET 19 -1.982 16.583 -16.514
173 HE1 MET 19 HE1 MET 19 0.497 18.029 -18.923
174 HE2 MET 19 HE2 MET 19 1.014 16.418 -19.418
175 HE3 MET 19 HE3 MET 19 2.083 17.416 -18.439
176 H LEU 20 HN LEU 20 -3.312 14.016 -19.701
177 HA LEU 20 HA LEU 20 -3.625 14.484 -22.484
178 HB2 LEU 20 HB2 LEU 20 -3.813 12.061 -20.681
179 HB3 LEU 20 HB1 LEU 20 -4.293 11.911 -22.368
180 HG LEU 20 HG LEU 20 -2.054 12.690 -23.083
181 HD11 LEU 20 HD11 LEU 20 -1.421 14.141 -21.246
182 HD12 LEU 20 HD12 LEU 20 -0.236 12.845 -21.326
183 HD13 LEU 20 HD13 LEU 20 -1.499 12.807 -20.094
184 HD21 LEU 20 HD21 LEU 20 -0.787 10.690 -22.357
185 HD22 LEU 20 HD22 LEU 20 -2.455 10.268 -22.742
186 HD23 LEU 20 HD23 LEU 20 -1.951 10.423 -21.059
187 H GLY 21 HN GLY 21 -5.846 13.665 -19.898
188 HA2 GLY 21 HA2 GLY 21 -8.185 13.287 -21.481
189 HA3 GLY 21 HA1 GLY 21 -8.150 13.663 -19.760
190 H SER 22 HN SER 22 -6.546 16.076 -20.188
191 HA SER 22 HA SER 22 -8.735 17.945 -20.832
192 HB2 SER 22 HB2 SER 22 -7.488 18.297 -18.757
193 HB3 SER 22 HB1 SER 22 -5.976 18.396 -19.659
194 HG SER 22 HG SER 22 -7.330 20.403 -19.067
195 H PHE 23 HN PHE 23 -5.896 16.659 -22.303
196 HA PHE 23 HA PHE 23 -5.060 18.832 -23.889
197 HB2 PHE 23 HB2 PHE 23 -3.735 16.784 -23.629
198 HB3 PHE 23 HB1 PHE 23 -4.965 15.861 -24.482
199 HD1 PHE 23 HD2 PHE 23 -2.591 18.738 -24.861
200 HD2 PHE 23 HD1 PHE 23 -4.936 15.760 -26.908
201 HE1 PHE 23 HE2 PHE 23 -1.534 19.368 -27.012
202 HE2 PHE 23 HE1 PHE 23 -3.872 16.399 -29.048
203 HZ PHE 23 HZ PHE 23 -2.173 18.201 -29.103
204 H ARG 24 HN ARG 24 -7.376 16.211 -24.651
205 HA ARG 24 HA ARG 24 -8.897 15.971 -26.371
206 HB2 ARG 24 HB2 ARG 24 -9.249 18.899 -25.656
207 HB3 ARG 24 HB1 ARG 24 -10.401 17.964 -26.613
208 HG2 ARG 24 HG2 ARG 24 -10.704 16.394 -24.733
209 HG3 ARG 24 HG1 ARG 24 -9.538 17.307 -23.774
210 HD2 ARG 24 HD2 ARG 24 -11.810 17.961 -23.143
211 HD3 ARG 24 HD1 ARG 24 -11.000 19.313 -23.932
212 HE ARG 24 HE ARG 24 -12.419 17.802 -25.869
213 HH11 ARG 24 HH21 ARG 24 -12.942 19.924 -23.167
214 HH12 ARG 24 HH22 ARG 24 -14.441 20.542 -23.777
215 HH21 ARG 24 HH11 ARG 24 -14.380 18.613 -26.655
216 HH22 ARG 24 HH12 ARG 24 -15.256 19.796 -25.743
217 H LYS 25 HN LYS 25 -9.812 17.597 -28.386
218 HA LYS 25 HA LYS 25 -7.399 17.995 -30.102
219 HB2 LYS 25 HB2 LYS 25 -9.005 16.181 -30.766
220 HB3 LYS 25 HB1 LYS 25 -10.263 17.402 -30.950
221 HG2 LYS 25 HG2 LYS 25 -8.932 18.547 -32.683
222 HG3 LYS 25 HG1 LYS 25 -7.623 17.386 -32.464
223 HD2 LYS 25 HD2 LYS 25 -9.140 15.554 -33.167
224 HD3 LYS 25 HD1 LYS 25 -10.434 16.728 -33.407
225 HE2 LYS 25 HE2 LYS 25 -9.092 17.881 -35.121
226 HE3 LYS 25 HE1 LYS 25 -7.773 16.738 -34.867
227 HZ1 LYS 25 HZ1 LYS 25 -9.097 16.097 -36.761
228 HZ2 LYS 25 HZ2 LYS 25 -10.507 16.065 -35.812
229 HZ3 LYS 25 HZ3 LYS 25 -9.261 14.945 -35.528
230 H ASP 26 HN ASP 26 -7.043 19.964 -30.965
231 HA ASP 26 HA ASP 26 -8.414 22.262 -30.050
232 HB2 ASP 26 HB2 ASP 26 -6.575 21.914 -32.439
233 HB3 ASP 26 HB1 ASP 26 -7.056 23.465 -31.754
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 12.298 2.500 -2.775
2 H2 MET 1 HT2 MET 1 10.855 3.273 -3.232
3 H3 MET 1 HT3 MET 1 11.045 2.689 -1.647
4 HA MET 1 HA MET 1 13.111 4.297 -1.679
5 HB2 MET 1 HB2 MET 1 11.112 5.482 -3.644
6 HB3 MET 1 HB1 MET 1 12.473 6.357 -2.946
7 HG2 MET 1 HG2 MET 1 14.044 4.749 -3.961
8 HG3 MET 1 HG1 MET 1 12.693 3.847 -4.636
9 HE1 MET 1 HE1 MET 1 14.712 6.995 -4.464
10 HE2 MET 1 HE2 MET 1 13.254 7.978 -4.567
11 HE3 MET 1 HE3 MET 1 14.357 7.907 -5.934
12 H LYS 2 HN LYS 2 12.026 6.840 -1.189
13 HA LYS 2 HA LYS 2 10.776 6.455 1.323
14 HB2 LYS 2 HB2 LYS 2 12.175 8.440 0.654
15 HB3 LYS 2 HB1 LYS 2 10.834 9.003 -0.342
16 HG2 LYS 2 HG2 LYS 2 9.389 9.118 1.657
17 HG3 LYS 2 HG1 LYS 2 10.704 8.516 2.658
18 HD2 LYS 2 HD2 LYS 2 12.065 10.497 2.061
19 HD3 LYS 2 HD1 LYS 2 10.740 11.106 1.070
20 HE2 LYS 2 HE2 LYS 2 9.289 11.191 3.080
21 HE3 LYS 2 HE1 LYS 2 10.631 10.605 4.062
22 HZ1 LYS 2 HZ1 LYS 2 11.039 12.780 4.327
23 HZ2 LYS 2 HZ2 LYS 2 10.168 13.233 2.940
24 HZ3 LYS 2 HZ3 LYS 2 11.764 12.666 2.798
25 H PHE 3 HN PHE 3 8.641 6.644 1.960
26 HA PHE 3 HA PHE 3 6.619 5.784 0.255
27 HB2 PHE 3 HB2 PHE 3 5.055 6.431 2.055
28 HB3 PHE 3 HB1 PHE 3 6.470 5.590 2.684
29 HD1 PHE 3 HD1 PHE 3 4.828 8.912 2.343
30 HD2 PHE 3 HD2 PHE 3 8.141 6.762 4.056
31 HE1 PHE 3 HE1 PHE 3 5.355 10.859 3.783
32 HE2 PHE 3 HE2 PHE 3 8.651 8.709 5.498
33 HZ PHE 3 HZ PHE 3 7.262 10.755 5.362
34 H TYR 4 HN TYR 4 7.727 9.039 0.851
35 HA TYR 4 HA TYR 4 5.478 10.464 -0.088
36 HB2 TYR 4 HB2 TYR 4 6.906 11.929 1.028
37 HB3 TYR 4 HB1 TYR 4 8.337 11.032 0.561
38 HD1 TYR 4 HD2 TYR 4 9.407 11.390 -1.650
39 HD2 TYR 4 HD1 TYR 4 6.102 13.814 -0.343
40 HE1 TYR 4 HE2 TYR 4 9.932 13.064 -3.411
41 HE2 TYR 4 HE1 TYR 4 6.631 15.482 -2.101
42 HH TYR 4 HH TYR 4 8.253 14.985 -4.676
43 H THR 5 HN THR 5 8.231 9.016 -1.765
44 HA THR 5 HA THR 5 7.868 10.223 -4.275
45 HB THR 5 HB THR 5 8.902 7.415 -3.730
46 HG1 THR 5 HG1 THR 5 9.831 9.888 -3.070
47 HG21 THR 5 HG21 THR 5 10.281 7.846 -5.737
48 HG22 THR 5 HG22 THR 5 9.506 9.416 -5.931
49 HG23 THR 5 HG23 THR 5 8.565 7.940 -6.126
50 H ILE 6 HN ILE 6 6.587 7.090 -3.075
51 HA ILE 6 HA ILE 6 5.162 6.477 -5.459
52 HB ILE 6 HB ILE 6 4.548 5.502 -2.644
53 HG12 ILE 6 HG12 ILE 6 5.964 3.438 -3.969
54 HG13 ILE 6 HG11 ILE 6 6.823 4.871 -4.513
55 HG21 ILE 6 HG21 ILE 6 2.715 4.988 -4.143
56 HG22 ILE 6 HG22 ILE 6 3.637 3.506 -3.920
57 HG23 ILE 6 HG23 ILE 6 3.821 4.435 -5.404
58 HD11 ILE 6 HD11 ILE 6 6.289 4.079 -1.636
59 HD12 ILE 6 HD12 ILE 6 7.104 5.555 -2.141
60 HD13 ILE 6 HD13 ILE 6 7.838 3.990 -2.476
61 H LYS 7 HN LYS 7 4.225 8.057 -2.430
62 HA LYS 7 HA LYS 7 1.481 8.344 -2.945
63 HB2 LYS 7 HB2 LYS 7 2.474 8.718 -0.741
64 HB3 LYS 7 HB1 LYS 7 3.378 10.100 -1.352
65 HG2 LYS 7 HG2 LYS 7 1.306 11.344 -1.758
66 HG3 LYS 7 HG1 LYS 7 0.346 9.935 -1.328
67 HD2 LYS 7 HD2 LYS 7 1.260 10.023 0.972
68 HD3 LYS 7 HD1 LYS 7 2.222 11.433 0.530
69 HE2 LYS 7 HE2 LYS 7 0.171 12.698 0.030
70 HE3 LYS 7 HE1 LYS 7 -0.810 11.287 0.435
71 HZ1 LYS 7 HZ1 LYS 7 0.746 11.532 2.608
72 HZ2 LYS 7 HZ2 LYS 7 -0.821 12.174 2.473
73 HZ3 LYS 7 HZ3 LYS 7 0.532 13.158 2.178
74 H LEU 8 HN LEU 8 4.142 10.638 -3.557
75 HA LEU 8 HA LEU 8 2.500 12.585 -4.789
76 HB2 LEU 8 HB2 LEU 8 4.881 12.876 -3.815
77 HB3 LEU 8 HB1 LEU 8 5.469 12.232 -5.337
78 HG LEU 8 HG LEU 8 4.158 14.058 -6.531
79 HD11 LEU 8 HD11 LEU 8 3.494 14.848 -3.685
80 HD12 LEU 8 HD12 LEU 8 2.502 14.932 -5.139
81 HD13 LEU 8 HD13 LEU 8 3.744 16.137 -4.866
82 HD21 LEU 8 HD21 LEU 8 5.792 15.841 -6.015
83 HD22 LEU 8 HD22 LEU 8 6.576 14.266 -6.138
84 HD23 LEU 8 HD23 LEU 8 6.265 14.975 -4.554
85 H ALA 9 HN ALA 9 4.465 9.943 -6.024
86 HA ALA 9 HA ALA 9 4.241 10.440 -8.747
87 HB1 ALA 9 HB1 ALA 9 4.278 7.755 -7.348
88 HB2 ALA 9 HB2 ALA 9 5.694 8.673 -7.860
89 HB3 ALA 9 HB3 ALA 9 4.596 8.005 -9.065
90 H LYS 10 HN LYS 10 2.006 8.883 -6.524
91 HA LYS 10 HA LYS 10 0.086 8.023 -8.456
92 HB2 LYS 10 HB2 LYS 10 0.420 7.325 -5.943
93 HB3 LYS 10 HB1 LYS 10 -0.549 8.733 -5.565
94 HG2 LYS 10 HG2 LYS 10 -2.236 7.082 -5.692
95 HG3 LYS 10 HG1 LYS 10 -2.258 7.698 -7.335
96 HD2 LYS 10 HD2 LYS 10 -2.243 5.318 -7.597
97 HD3 LYS 10 HD1 LYS 10 -0.580 5.786 -7.910
98 HE2 LYS 10 HE2 LYS 10 0.148 4.977 -5.748
99 HE3 LYS 10 HE1 LYS 10 -1.512 4.861 -5.161
100 HZ1 LYS 10 HZ1 LYS 10 0.000 3.025 -6.764
101 HZ2 LYS 10 HZ2 LYS 10 -1.548 3.339 -7.390
102 HZ3 LYS 10 HZ3 LYS 10 -1.371 2.754 -5.804
103 H PHE 11 HN PHE 11 0.432 10.937 -6.461
104 HA PHE 11 HA PHE 11 -1.964 12.238 -7.203
105 HB2 PHE 11 HB2 PHE 11 -0.528 12.941 -5.329
106 HB3 PHE 11 HB1 PHE 11 0.736 13.392 -6.442
107 HD1 PHE 11 HD2 PHE 11 -2.917 14.038 -5.826
108 HD2 PHE 11 HD1 PHE 11 0.856 15.702 -7.113
109 HE1 PHE 11 HE2 PHE 11 -3.956 16.279 -6.015
110 HE2 PHE 11 HE1 PHE 11 -0.201 17.930 -7.292
111 HZ PHE 11 HZ PHE 11 -2.600 18.222 -6.742
112 H LEU 12 HN LEU 12 1.309 12.394 -8.491
113 HA LEU 12 HA LEU 12 0.769 14.138 -10.686
114 HB2 LEU 12 HB2 LEU 12 2.945 12.066 -10.278
115 HB3 LEU 12 HB1 LEU 12 2.959 13.274 -11.560
116 HG LEU 12 HG LEU 12 2.872 13.966 -8.594
117 HD11 LEU 12 HD11 LEU 12 4.982 12.810 -9.153
118 HD12 LEU 12 HD12 LEU 12 5.270 14.516 -8.812
119 HD13 LEU 12 HD13 LEU 12 5.252 13.941 -10.479
120 HD21 LEU 12 HD21 LEU 12 3.761 16.219 -9.546
121 HD22 LEU 12 HD22 LEU 12 2.062 15.864 -9.779
122 HD23 LEU 12 HD23 LEU 12 3.194 15.640 -11.113
123 H GLY 13 HN GLY 13 0.792 10.631 -10.297
124 HA2 GLY 13 HA2 GLY 13 0.488 9.923 -13.003
125 HA3 GLY 13 HA1 GLY 13 0.032 8.931 -11.645
126 H GLY 14 HN GLY 14 -1.778 11.227 -10.738
127 HA2 GLY 14 HA2 GLY 14 -4.168 10.338 -12.169
128 HA3 GLY 14 HA1 GLY 14 -4.099 11.488 -10.832
129 H ILE 15 HN ILE 15 -2.240 13.251 -11.750
130 HA ILE 15 HA ILE 15 -3.754 14.950 -13.480
131 HB ILE 15 HB ILE 15 -0.912 15.225 -12.444
132 HG12 ILE 15 HG12 ILE 15 -3.466 16.458 -11.301
133 HG13 ILE 15 HG11 ILE 15 -2.772 14.970 -10.674
134 HG21 ILE 15 HG21 ILE 15 -1.304 16.770 -14.312
135 HG22 ILE 15 HG22 ILE 15 -1.338 17.691 -12.816
136 HG23 ILE 15 HG23 ILE 15 -2.849 17.266 -13.619
137 HD11 ILE 15 HD11 ILE 15 -1.317 17.623 -10.819
138 HD12 ILE 15 HD12 ILE 15 -0.682 16.119 -10.153
139 HD13 ILE 15 HD13 ILE 15 -2.043 16.924 -9.374
140 H VAL 16 HN VAL 16 -0.793 12.989 -13.887
141 HA VAL 16 HA VAL 16 0.016 14.029 -16.316
142 HB VAL 16 HB VAL 16 1.168 12.233 -14.798
143 HG11 VAL 16 HG11 VAL 16 -0.709 10.571 -15.063
144 HG12 VAL 16 HG12 VAL 16 0.885 9.913 -15.395
145 HG13 VAL 16 HG13 VAL 16 -0.200 10.309 -16.722
146 HG21 VAL 16 HG21 VAL 16 2.206 13.118 -16.863
147 HG22 VAL 16 HG22 VAL 16 1.290 11.961 -17.829
148 HG23 VAL 16 HG23 VAL 16 2.527 11.391 -16.707
149 H ARG 17 HN ARG 17 -2.330 11.522 -15.652
150 HA ARG 17 HA ARG 17 -3.035 10.892 -18.320
151 HB2 ARG 17 HB2 ARG 17 -3.528 9.399 -16.445
152 HB3 ARG 17 HB1 ARG 17 -4.524 10.635 -15.691
153 HG2 ARG 17 HG2 ARG 17 -5.920 8.938 -16.775
154 HG3 ARG 17 HG1 ARG 17 -6.143 10.480 -17.575
155 HD2 ARG 17 HD2 ARG 17 -4.784 9.778 -19.460
156 HD3 ARG 17 HD1 ARG 17 -4.212 8.357 -18.586
157 HE ARG 17 HE ARG 17 -6.198 7.271 -19.111
158 HH11 ARG 17 HH21 ARG 17 -6.476 10.670 -19.759
159 HH12 ARG 17 HH22 ARG 17 -8.013 10.534 -20.542
160 HH21 ARG 17 HH11 ARG 17 -8.213 7.094 -20.132
161 HH22 ARG 17 HH12 ARG 17 -8.998 8.508 -20.755
162 H ALA 18 HN ALA 18 -4.202 13.260 -15.948
163 HA ALA 18 HA ALA 18 -6.498 14.105 -17.317
164 HB1 ALA 18 HB1 ALA 18 -4.757 15.833 -15.537
165 HB2 ALA 18 HB2 ALA 18 -5.928 14.661 -14.938
166 HB3 ALA 18 HB3 ALA 18 -6.472 16.049 -15.882
167 H MET 19 HN MET 19 -3.142 15.255 -17.532
168 HA MET 19 HA MET 19 -3.587 17.464 -19.207
169 HB2 MET 19 HB2 MET 19 -1.237 15.625 -18.681
170 HB3 MET 19 HB1 MET 19 -1.116 16.927 -19.832
171 HG2 MET 19 HG2 MET 19 -1.914 18.491 -17.909
172 HG3 MET 19 HG1 MET 19 -1.578 17.131 -16.839
173 HE1 MET 19 HE1 MET 19 0.604 16.374 -16.093
174 HE2 MET 19 HE2 MET 19 2.168 16.738 -16.812
175 HE3 MET 19 HE3 MET 19 1.016 15.743 -17.696
176 H LEU 20 HN LEU 20 -2.685 14.132 -19.971
177 HA LEU 20 HA LEU 20 -2.632 14.413 -22.790
178 HB2 LEU 20 HB2 LEU 20 -3.272 12.027 -21.049
179 HB3 LEU 20 HB1 LEU 20 -3.042 11.914 -22.777
180 HG LEU 20 HG LEU 20 -0.960 12.923 -20.800
181 HD11 LEU 20 HD11 LEU 20 -1.180 10.250 -22.230
182 HD12 LEU 20 HD12 LEU 20 -1.405 10.522 -20.502
183 HD13 LEU 20 HD13 LEU 20 0.182 10.759 -21.232
184 HD21 LEU 20 HD21 LEU 20 -0.317 13.910 -22.828
185 HD22 LEU 20 HD22 LEU 20 -0.967 12.606 -23.815
186 HD23 LEU 20 HD23 LEU 20 0.543 12.383 -22.937
187 H GLY 21 HN GLY 21 -5.147 13.645 -20.509
188 HA2 GLY 21 HA2 GLY 21 -7.239 13.125 -22.389
189 HA3 GLY 21 HA1 GLY 21 -7.449 13.517 -20.683
190 H SER 22 HN SER 22 -5.832 16.002 -21.024
191 HA SER 22 HA SER 22 -8.025 17.792 -21.618
192 HB2 SER 22 HB2 SER 22 -6.626 19.513 -20.791
193 HB3 SER 22 HB1 SER 22 -6.058 18.097 -19.912
194 HG SER 22 HG SER 22 -4.380 19.380 -20.879
195 H PHE 23 HN PHE 23 -5.429 16.422 -23.427
196 HA PHE 23 HA PHE 23 -5.027 18.389 -25.400
197 HB2 PHE 23 HB2 PHE 23 -3.587 16.384 -25.079
198 HB3 PHE 23 HB1 PHE 23 -4.880 15.369 -25.708
199 HD1 PHE 23 HD2 PHE 23 -2.759 18.345 -26.578
200 HD2 PHE 23 HD1 PHE 23 -5.034 15.019 -28.104
201 HE1 PHE 23 HE2 PHE 23 -1.961 18.838 -28.870
202 HE2 PHE 23 HE1 PHE 23 -4.229 15.525 -30.388
203 HZ PHE 23 HZ PHE 23 -2.693 17.429 -30.773
204 H ARG 24 HN ARG 24 -7.317 15.670 -25.267
205 HA ARG 24 HA ARG 24 -8.492 16.006 -27.803
206 HB2 ARG 24 HB2 ARG 24 -9.677 14.936 -25.221
207 HB3 ARG 24 HB1 ARG 24 -10.408 14.737 -26.814
208 HG2 ARG 24 HG2 ARG 24 -8.416 13.520 -27.598
209 HG3 ARG 24 HG1 ARG 24 -7.650 13.734 -26.023
210 HD2 ARG 24 HD2 ARG 24 -10.285 12.276 -26.447
211 HD3 ARG 24 HD1 ARG 24 -8.721 11.480 -26.300
212 HE ARG 24 HE ARG 24 -9.025 13.166 -24.077
213 HH11 ARG 24 HH21 ARG 24 -10.503 10.349 -25.476
214 HH12 ARG 24 HH22 ARG 24 -10.956 9.668 -23.948
215 HH21 ARG 24 HH11 ARG 24 -9.623 12.271 -22.087
216 HH22 ARG 24 HH12 ARG 24 -10.461 10.755 -22.034
217 H LYS 25 HN LYS 25 -9.175 18.001 -28.425
218 HA LYS 25 HA LYS 25 -10.345 19.980 -28.488
219 HB2 LYS 25 HB2 LYS 25 -12.281 18.296 -26.859
220 HB3 LYS 25 HB1 LYS 25 -12.685 19.849 -27.593
221 HG2 LYS 25 HG2 LYS 25 -12.148 18.942 -29.825
222 HG3 LYS 25 HG1 LYS 25 -11.744 17.385 -29.101
223 HD2 LYS 25 HD2 LYS 25 -14.047 17.154 -28.263
224 HD3 LYS 25 HD1 LYS 25 -14.467 18.731 -28.935
225 HE2 LYS 25 HE2 LYS 25 -15.220 16.973 -30.461
226 HE3 LYS 25 HE1 LYS 25 -13.898 17.866 -31.216
227 HZ1 LYS 25 HZ1 LYS 25 -12.533 16.100 -31.111
228 HZ2 LYS 25 HZ2 LYS 25 -13.980 15.214 -31.011
229 HZ3 LYS 25 HZ3 LYS 25 -13.113 15.590 -29.599
230 H ASP 26 HN ASP 26 -8.909 21.275 -27.320
231 HA ASP 26 HA ASP 26 -8.635 21.432 -24.541
232 HB2 ASP 26 HB2 ASP 26 -8.372 23.653 -26.587
233 HB3 ASP 26 HB1 ASP 26 -7.722 23.692 -24.949
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 11.914 3.452 0.359
2 H2 MET 1 HT2 MET 1 13.597 3.424 0.578
3 H3 MET 1 HT3 MET 1 12.932 3.119 -0.954
4 HA MET 1 HA MET 1 13.745 5.564 0.115
5 HB2 MET 1 HB2 MET 1 12.217 4.870 -2.419
6 HB3 MET 1 HB1 MET 1 13.094 6.371 -2.138
7 HG2 MET 1 HG2 MET 1 15.194 5.070 -1.846
8 HG3 MET 1 HG1 MET 1 14.310 3.591 -2.212
9 HE1 MET 1 HE1 MET 1 12.324 4.530 -4.846
10 HE2 MET 1 HE2 MET 1 13.090 3.078 -4.210
11 HE3 MET 1 HE3 MET 1 13.489 3.638 -5.828
12 H LYS 2 HN LYS 2 11.569 4.620 1.701
13 HA LYS 2 HA LYS 2 9.625 5.315 2.691
14 HB2 LYS 2 HB2 LYS 2 10.438 7.937 1.390
15 HB3 LYS 2 HB1 LYS 2 9.150 7.784 2.582
16 HG2 LYS 2 HG2 LYS 2 10.770 6.887 4.219
17 HG3 LYS 2 HG1 LYS 2 12.062 7.042 3.029
18 HD2 LYS 2 HD2 LYS 2 11.657 9.489 2.920
19 HD3 LYS 2 HD1 LYS 2 10.387 9.323 4.133
20 HE2 LYS 2 HE2 LYS 2 13.305 8.586 4.555
21 HE3 LYS 2 HE1 LYS 2 12.528 10.057 5.147
22 HZ1 LYS 2 HZ1 LYS 2 11.938 8.906 6.924
23 HZ2 LYS 2 HZ2 LYS 2 12.490 7.447 6.254
24 HZ3 LYS 2 HZ3 LYS 2 10.906 7.979 5.948
25 H PHE 3 HN PHE 3 7.400 6.086 2.308
26 HA PHE 3 HA PHE 3 6.376 5.077 -0.218
27 HB2 PHE 3 HB2 PHE 3 4.960 6.335 2.158
28 HB3 PHE 3 HB1 PHE 3 4.173 5.509 0.812
29 HD1 PHE 3 HD1 PHE 3 4.371 3.052 0.531
30 HD2 PHE 3 HD2 PHE 3 6.262 5.054 3.837
31 HE1 PHE 3 HE1 PHE 3 4.748 0.872 1.642
32 HE2 PHE 3 HE2 PHE 3 6.631 2.868 4.944
33 HZ PHE 3 HZ PHE 3 5.875 0.779 3.848
34 H TYR 4 HN TYR 4 7.728 7.919 0.634
35 HA TYR 4 HA TYR 4 5.959 9.899 -0.327
36 HB2 TYR 4 HB2 TYR 4 7.631 11.056 0.753
37 HB3 TYR 4 HB1 TYR 4 8.731 9.700 0.632
38 HD1 TYR 4 HD2 TYR 4 7.365 12.623 -1.278
39 HD2 TYR 4 HD1 TYR 4 10.576 9.780 -0.915
40 HE1 TYR 4 HE2 TYR 4 8.687 13.888 -2.949
41 HE2 TYR 4 HE1 TYR 4 11.888 11.050 -2.588
42 HH TYR 4 HH TYR 4 11.003 12.815 -4.661
43 H THR 5 HN THR 5 8.490 8.009 -1.984
44 HA THR 5 HA THR 5 8.362 9.295 -4.477
45 HB THR 5 HB THR 5 9.409 7.237 -5.323
46 HG1 THR 5 HG1 THR 5 9.633 5.488 -3.905
47 HG21 THR 5 HG21 THR 5 10.408 7.988 -2.569
48 HG22 THR 5 HG22 THR 5 10.779 8.869 -4.050
49 HG23 THR 5 HG23 THR 5 11.360 7.218 -3.837
50 H ILE 6 HN ILE 6 6.723 6.326 -3.371
51 HA ILE 6 HA ILE 6 5.248 5.901 -5.755
52 HB ILE 6 HB ILE 6 4.540 4.963 -2.949
53 HG12 ILE 6 HG12 ILE 6 5.657 2.743 -4.207
54 HG13 ILE 6 HG11 ILE 6 6.638 4.013 -4.917
55 HG21 ILE 6 HG21 ILE 6 2.639 4.703 -4.431
56 HG22 ILE 6 HG22 ILE 6 3.372 3.113 -4.243
57 HG23 ILE 6 HG23 ILE 6 3.653 4.038 -5.713
58 HD11 ILE 6 HD11 ILE 6 7.123 4.806 -2.549
59 HD12 ILE 6 HD12 ILE 6 7.762 3.217 -2.943
60 HD13 ILE 6 HD13 ILE 6 6.297 3.362 -1.975
61 H LYS 7 HN LYS 7 4.521 7.563 -2.730
62 HA LYS 7 HA LYS 7 1.811 8.141 -3.195
63 HB2 LYS 7 HB2 LYS 7 2.879 8.440 -1.014
64 HB3 LYS 7 HB1 LYS 7 3.917 9.702 -1.665
65 HG2 LYS 7 HG2 LYS 7 1.995 11.166 -2.050
66 HG3 LYS 7 HG1 LYS 7 0.888 9.885 -1.578
67 HD2 LYS 7 HD2 LYS 7 1.863 9.900 0.700
68 HD3 LYS 7 HD1 LYS 7 2.967 11.187 0.214
69 HE2 LYS 7 HE2 LYS 7 1.044 12.659 -0.274
70 HE3 LYS 7 HE1 LYS 7 -0.064 11.371 0.213
71 HZ1 LYS 7 HZ1 LYS 7 1.662 13.061 1.852
72 HZ2 LYS 7 HZ2 LYS 7 1.466 11.447 2.347
73 HZ3 LYS 7 HZ3 LYS 7 0.111 12.455 2.178
74 H LEU 8 HN LEU 8 4.690 10.118 -3.882
75 HA LEU 8 HA LEU 8 3.266 12.227 -5.099
76 HB2 LEU 8 HB2 LEU 8 5.666 12.241 -4.152
77 HB3 LEU 8 HB1 LEU 8 6.161 11.536 -5.682
78 HG LEU 8 HG LEU 8 5.050 13.515 -6.855
79 HD11 LEU 8 HD11 LEU 8 4.662 14.432 -3.983
80 HD12 LEU 8 HD12 LEU 8 3.533 14.518 -5.333
81 HD13 LEU 8 HD13 LEU 8 4.887 15.625 -5.261
82 HD21 LEU 8 HD21 LEU 8 6.904 15.078 -6.365
83 HD22 LEU 8 HD22 LEU 8 7.479 13.419 -6.518
84 HD23 LEU 8 HD23 LEU 8 7.294 14.143 -4.923
85 H ALA 9 HN ALA 9 4.862 9.378 -6.337
86 HA ALA 9 HA ALA 9 4.777 9.883 -9.049
87 HB1 ALA 9 HB1 ALA 9 5.936 7.947 -8.085
88 HB2 ALA 9 HB2 ALA 9 4.837 7.439 -9.369
89 HB3 ALA 9 HB3 ALA 9 4.382 7.214 -7.678
90 H LYS 10 HN LYS 10 2.283 8.289 -7.068
91 HA LYS 10 HA LYS 10 0.385 7.942 -9.165
92 HB2 LYS 10 HB2 LYS 10 0.132 8.080 -6.141
93 HB3 LYS 10 HB1 LYS 10 -1.239 7.753 -7.187
94 HG2 LYS 10 HG2 LYS 10 -0.065 5.773 -8.108
95 HG3 LYS 10 HG1 LYS 10 1.305 6.095 -7.043
96 HD2 LYS 10 HD2 LYS 10 -0.149 5.806 -5.073
97 HD3 LYS 10 HD1 LYS 10 -1.534 5.513 -6.124
98 HE2 LYS 10 HE2 LYS 10 -0.387 3.528 -7.067
99 HE3 LYS 10 HE1 LYS 10 0.977 3.812 -5.987
100 HZ1 LYS 10 HZ1 LYS 10 -1.229 2.321 -5.422
101 HZ2 LYS 10 HZ2 LYS 10 -1.528 3.780 -4.607
102 HZ3 LYS 10 HZ3 LYS 10 -0.108 2.904 -4.291
103 H PHE 11 HN PHE 11 0.887 10.481 -6.765
104 HA PHE 11 HA PHE 11 -1.369 12.058 -7.239
105 HB2 PHE 11 HB2 PHE 11 0.210 12.398 -5.390
106 HB3 PHE 11 HB1 PHE 11 1.444 12.903 -6.513
107 HD1 PHE 11 HD2 PHE 11 -2.076 13.736 -5.508
108 HD2 PHE 11 HD1 PHE 11 1.703 15.263 -6.939
109 HE1 PHE 11 HE2 PHE 11 -2.930 16.051 -5.312
110 HE2 PHE 11 HE1 PHE 11 0.826 17.572 -6.737
111 HZ PHE 11 HZ PHE 11 -1.481 17.966 -5.925
112 H LEU 12 HN LEU 12 1.862 12.308 -8.697
113 HA LEU 12 HA LEU 12 1.179 14.343 -10.587
114 HB2 LEU 12 HB2 LEU 12 3.377 12.246 -10.676
115 HB3 LEU 12 HB1 LEU 12 3.293 13.662 -11.725
116 HG LEU 12 HG LEU 12 3.514 13.743 -8.699
117 HD11 LEU 12 HD11 LEU 12 5.596 14.239 -10.847
118 HD12 LEU 12 HD12 LEU 12 5.567 12.899 -9.703
119 HD13 LEU 12 HD13 LEU 12 5.835 14.543 -9.125
120 HD21 LEU 12 HD21 LEU 12 2.492 15.773 -9.203
121 HD22 LEU 12 HD22 LEU 12 3.271 15.922 -10.777
122 HD23 LEU 12 HD23 LEU 12 4.184 16.225 -9.300
123 H GLY 13 HN GLY 13 1.258 10.810 -10.742
124 HA2 GLY 13 HA2 GLY 13 0.728 10.545 -13.492
125 HA3 GLY 13 HA1 GLY 13 0.410 9.333 -12.282
126 H GLY 14 HN GLY 14 -1.364 11.407 -10.868
127 HA2 GLY 14 HA2 GLY 14 -3.850 10.670 -12.215
128 HA3 GLY 14 HA1 GLY 14 -3.686 11.614 -10.733
129 H ILE 15 HN ILE 15 -1.956 13.550 -11.513
130 HA ILE 15 HA ILE 15 -3.632 15.442 -12.833
131 HB ILE 15 HB ILE 15 -0.702 15.609 -12.048
132 HG12 ILE 15 HG12 ILE 15 -3.122 16.676 -10.519
133 HG13 ILE 15 HG11 ILE 15 -2.408 15.112 -10.170
134 HG21 ILE 15 HG21 ILE 15 -1.259 17.391 -13.645
135 HG22 ILE 15 HG22 ILE 15 -1.140 18.097 -12.041
136 HG23 ILE 15 HG23 ILE 15 -2.726 17.780 -12.746
137 HD11 ILE 15 HD11 ILE 15 -1.531 16.893 -8.692
138 HD12 ILE 15 HD12 ILE 15 -0.888 17.735 -10.097
139 HD13 ILE 15 HD13 ILE 15 -0.264 16.144 -9.660
140 H VAL 16 HN VAL 16 -0.667 13.675 -13.784
141 HA VAL 16 HA VAL 16 -0.153 15.059 -16.123
142 HB VAL 16 HB VAL 16 1.205 13.124 -14.953
143 HG11 VAL 16 HG11 VAL 16 -0.609 11.405 -15.376
144 HG12 VAL 16 HG12 VAL 16 1.000 10.912 -15.878
145 HG13 VAL 16 HG13 VAL 16 -0.175 11.437 -17.080
146 HG21 VAL 16 HG21 VAL 16 1.092 13.429 -17.982
147 HG22 VAL 16 HG22 VAL 16 2.425 12.660 -17.114
148 HG23 VAL 16 HG23 VAL 16 2.083 14.373 -16.869
149 H ARG 17 HN ARG 17 -2.303 12.306 -15.623
150 HA ARG 17 HA ARG 17 -3.189 12.063 -18.304
151 HB2 ARG 17 HB2 ARG 17 -3.410 10.251 -16.660
152 HB3 ARG 17 HB1 ARG 17 -4.475 11.249 -15.680
153 HG2 ARG 17 HG2 ARG 17 -5.797 9.647 -16.954
154 HG3 ARG 17 HG1 ARG 17 -6.147 11.255 -17.557
155 HD2 ARG 17 HD2 ARG 17 -4.759 10.880 -19.523
156 HD3 ARG 17 HD1 ARG 17 -4.123 9.383 -18.846
157 HE ARG 17 HE ARG 17 -6.064 8.298 -19.528
158 HH11 ARG 17 HH21 ARG 17 -6.505 11.738 -19.637
159 HH12 ARG 17 HH22 ARG 17 -8.021 11.657 -20.471
160 HH21 ARG 17 HH11 ARG 17 -8.053 8.193 -20.626
161 HH22 ARG 17 HH12 ARG 17 -8.895 9.651 -21.026
162 H ALA 18 HN ALA 18 -4.269 13.922 -15.492
163 HA ALA 18 HA ALA 18 -6.734 14.813 -16.498
164 HB1 ALA 18 HB1 ALA 18 -5.912 15.025 -14.114
165 HB2 ALA 18 HB2 ALA 18 -6.700 16.466 -14.755
166 HB3 ALA 18 HB3 ALA 18 -4.944 16.401 -14.636
167 H MET 19 HN MET 19 -3.469 16.121 -16.875
168 HA MET 19 HA MET 19 -4.122 18.574 -18.093
169 HB2 MET 19 HB2 MET 19 -1.719 16.732 -18.091
170 HB3 MET 19 HB1 MET 19 -1.711 18.197 -19.037
171 HG2 MET 19 HG2 MET 19 -2.144 19.524 -17.003
172 HG3 MET 19 HG1 MET 19 -2.195 18.041 -16.052
173 HE1 MET 19 HE1 MET 19 1.137 20.023 -15.185
174 HE2 MET 19 HE2 MET 19 -0.447 19.527 -14.598
175 HE3 MET 19 HE3 MET 19 -0.326 20.764 -15.845
176 H LEU 20 HN LEU 20 -3.144 15.478 -19.530
177 HA LEU 20 HA LEU 20 -3.591 16.261 -22.236
178 HB2 LEU 20 HB2 LEU 20 -3.241 13.636 -20.786
179 HB3 LEU 20 HB1 LEU 20 -3.814 13.602 -22.446
180 HG LEU 20 HG LEU 20 -1.820 14.844 -23.187
181 HD11 LEU 20 HD11 LEU 20 -1.044 14.769 -20.251
182 HD12 LEU 20 HD12 LEU 20 -1.341 16.204 -21.234
183 HD13 LEU 20 HD13 LEU 20 0.067 15.197 -21.551
184 HD21 LEU 20 HD21 LEU 20 -1.103 12.463 -21.440
185 HD22 LEU 20 HD22 LEU 20 -0.161 13.067 -22.801
186 HD23 LEU 20 HD23 LEU 20 -1.752 12.361 -23.077
187 H GLY 21 HN GLY 21 -5.582 14.754 -19.765
188 HA2 GLY 21 HA2 GLY 21 -7.849 14.188 -21.404
189 HA3 GLY 21 HA1 GLY 21 -7.863 14.348 -19.647
190 H SER 22 HN SER 22 -6.750 16.979 -19.595
191 HA SER 22 HA SER 22 -9.134 18.550 -19.851
192 HB2 SER 22 HB2 SER 22 -7.418 19.121 -18.186
193 HB3 SER 22 HB1 SER 22 -6.262 19.450 -19.466
194 HG SER 22 HG SER 22 -8.676 20.804 -18.875
195 H PHE 23 HN PHE 23 -6.189 18.152 -21.751
196 HA PHE 23 HA PHE 23 -6.806 20.138 -23.726
197 HB2 PHE 23 HB2 PHE 23 -4.507 19.235 -23.254
198 HB3 PHE 23 HB1 PHE 23 -5.007 17.704 -23.961
199 HD1 PHE 23 HD2 PHE 23 -4.513 21.331 -24.679
200 HD2 PHE 23 HD1 PHE 23 -5.124 17.429 -26.392
201 HE1 PHE 23 HE2 PHE 23 -4.003 22.233 -26.925
202 HE2 PHE 23 HE1 PHE 23 -4.614 18.345 -28.640
203 HZ PHE 23 HZ PHE 23 -4.053 20.742 -28.906
204 H ARG 24 HN ARG 24 -8.798 19.829 -24.585
205 HA ARG 24 HA ARG 24 -10.036 17.414 -25.268
206 HB2 ARG 24 HB2 ARG 24 -11.513 18.845 -26.728
207 HB3 ARG 24 HB1 ARG 24 -11.346 19.445 -25.080
208 HG2 ARG 24 HG2 ARG 24 -9.629 21.055 -25.812
209 HG3 ARG 24 HG1 ARG 24 -9.760 20.456 -27.465
210 HD2 ARG 24 HD2 ARG 24 -12.097 21.644 -25.929
211 HD3 ARG 24 HD1 ARG 24 -11.081 22.561 -27.040
212 HE ARG 24 HE ARG 24 -11.978 20.292 -28.416
213 HH11 ARG 24 HH21 ARG 24 -13.283 23.144 -26.917
214 HH12 ARG 24 HH22 ARG 24 -14.599 23.288 -28.034
215 HH21 ARG 24 HH11 ARG 24 -13.711 20.482 -29.865
216 HH22 ARG 24 HH12 ARG 24 -14.841 21.787 -29.698
217 H LYS 25 HN LYS 25 -10.106 16.173 -27.094
218 HA LYS 25 HA LYS 25 -7.859 16.267 -28.895
219 HB2 LYS 25 HB2 LYS 25 -8.911 14.279 -29.913
220 HB3 LYS 25 HB1 LYS 25 -8.811 14.132 -28.160
221 HG2 LYS 25 HG2 LYS 25 -11.189 14.873 -27.986
222 HG3 LYS 25 HG1 LYS 25 -11.284 14.935 -29.748
223 HD2 LYS 25 HD2 LYS 25 -10.673 12.494 -29.817
224 HD3 LYS 25 HD1 LYS 25 -10.740 12.466 -28.053
225 HE2 LYS 25 HE2 LYS 25 -13.036 13.188 -29.902
226 HE3 LYS 25 HE1 LYS 25 -12.864 11.674 -29.016
227 HZ1 LYS 25 HZ1 LYS 25 -12.774 13.072 -26.953
228 HZ2 LYS 25 HZ2 LYS 25 -14.277 13.040 -27.744
229 HZ3 LYS 25 HZ3 LYS 25 -13.257 14.389 -27.905
230 H ASP 26 HN ASP 26 -7.836 16.733 -31.086
231 HA ASP 26 HA ASP 26 -8.353 17.941 -32.970
232 HB2 ASP 26 HB2 ASP 26 -11.143 16.926 -32.356
233 HB3 ASP 26 HB1 ASP 26 -10.595 17.563 -33.904
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