Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
497492 | 2l63 RC | 17296 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H1 HIS 1 2.219 -10.730 -11.635
2 HA HIS 1 HA HIS 1 0.246 -10.927 -10.167
3 HB2 HIS 1 HB2 HIS 1 0.124 -12.765 -12.644
4 HB3 HIS 1 HB3 HIS 1 -1.322 -12.222 -11.752
5 HD1 HIS 1 HD1 HIS 1 -1.565 -9.538 -11.576
6 HD2 HIS 1 HD2 HIS 1 0.940 -11.074 -14.582
7 HE1 HIS 1 HE1 HIS 1 -1.289 -7.666 -13.255
8 H ALA 2 H ALA 2 -1.316 -12.491 -9.109
9 HA ALA 2 HA ALA 2 -0.041 -15.160 -8.509
10 HB1 ALA 2 HB1 ALA 2 0.248 -13.567 -6.587
11 HB2 ALA 2 HB2 ALA 2 -1.502 -13.216 -6.616
12 HB3 ALA 2 HB3 ALA 2 -0.926 -14.852 -6.169
13 H ASP 3 H ASP 3 -1.840 -16.741 -7.646
14 HA ASP 3 HA ASP 3 -4.536 -16.019 -8.595
15 HB2 ASP 3 HB2 ASP 3 -3.296 -16.656 -10.697
16 HB3 ASP 3 HB3 ASP 3 -2.892 -18.230 -9.975
17 H GLY 4 H GLY 4 -6.022 -17.102 -7.178
18 HA2 GLY 4 HA2 GLY 4 -6.540 -19.460 -6.438
19 HA3 GLY 4 HA3 GLY 4 -4.944 -19.471 -5.643
20 H SER 5 H SER 5 -7.154 -19.841 -3.978
21 HA SER 5 HA SER 5 -8.339 -17.380 -3.157
22 HB2 SER 5 HB2 SER 5 -9.455 -19.468 -2.590
23 HB3 SER 5 HB3 SER 5 -8.079 -20.018 -1.607
24 HG SER 5 HG SER 5 -9.656 -17.708 -0.975
25 H PHE 6 H PHE 6 -5.862 -19.309 -1.221
26 HA PHE 6 HA PHE 6 -5.223 -16.819 0.212
27 HB2 PHE 6 HB2 PHE 6 -3.678 -18.177 1.553
28 HB3 PHE 6 HB3 PHE 6 -5.296 -18.899 1.498
29 HD1 PHE 6 HD2 PHE 6 -1.830 -19.113 0.047
30 HD2 PHE 6 HD1 PHE 6 -5.574 -21.159 0.617
31 HE1 PHE 6 HE2 PHE 6 -0.852 -21.176 -0.894
32 HE2 PHE 6 HE1 PHE 6 -4.581 -23.225 -0.296
33 HZ PHE 6 HZ PHE 6 -2.222 -23.239 -1.068
34 H SER 7 H SER 7 -3.815 -18.732 -2.553
35 HA SER 7 HA SER 7 -1.228 -17.719 -2.415
36 HB2 SER 7 HB2 SER 7 -2.963 -18.152 -4.897
37 HB3 SER 7 HB3 SER 7 -1.206 -17.849 -4.974
38 HG SER 7 HG SER 7 -0.976 -19.850 -3.688
39 H ASP 8 H ASP 8 -4.243 -16.067 -3.746
40 HA ASP 8 HA ASP 8 -2.857 -13.754 -4.643
41 HB2 ASP 8 HB2 ASP 8 -5.720 -14.084 -3.574
42 HB3 ASP 8 HB3 ASP 8 -5.059 -12.509 -4.084
43 H GLU 9 H GLU 9 -3.985 -14.651 -1.290
44 HA GLU 9 HA GLU 9 -3.241 -12.064 -0.282
45 HB2 GLU 9 HB2 GLU 9 -3.639 -14.711 1.226
46 HB3 GLU 9 HB3 GLU 9 -3.366 -13.145 2.021
47 HG2 GLU 9 HG2 GLU 9 -5.419 -12.190 0.974
48 HG3 GLU 9 HG3 GLU 9 -5.756 -13.743 0.166
49 H MET 10 H MET 10 -1.022 -14.353 -1.553
50 HA MET 10 HA MET 10 0.968 -14.247 0.456
51 HB2 MET 10 HB2 MET 10 1.262 -14.209 -2.593
52 HB3 MET 10 HB3 MET 10 2.629 -14.458 -1.489
53 HG2 MET 10 HG2 MET 10 0.299 -16.365 -1.033
54 HG3 MET 10 HG3 MET 10 1.166 -16.546 -2.580
55 HE1 MET 10 HE1 MET 10 3.092 -17.342 1.559
56 HE2 MET 10 HE2 MET 10 2.878 -15.627 1.092
57 HE3 MET 10 HE3 MET 10 1.439 -16.689 1.323
58 H ASN 11 H ASN 11 0.070 -11.806 -2.141
59 HA ASN 11 HA ASN 11 2.243 -10.049 -1.214
60 HB2 ASN 11 HB2 ASN 11 -0.018 -9.542 -3.223
61 HB3 ASN 11 HB3 ASN 11 1.320 -8.418 -2.859
62 HD21 ASN 11 HD21 ASN 11 1.569 -8.719 -5.348
63 HD22 ASN 11 HD22 ASN 11 2.630 -9.993 -5.822
64 H THR 12 H THR 12 -0.652 -10.764 0.424
65 HA THR 12 HA THR 12 -1.613 -8.202 1.018
66 HB THR 12 HB THR 12 -1.293 -10.585 2.938
67 HG1 THR 12 HG1 THR 12 -3.474 -9.922 1.191
68 HG21 THR 12 HG21 THR 12 -3.213 -8.169 3.052
69 HG22 THR 12 HG22 THR 12 -1.896 -8.509 4.217
70 HG23 THR 12 HG23 THR 12 -3.296 -9.608 4.105
71 H ILE 13 H ILE 13 1.472 -9.802 2.017
72 HA ILE 13 HA ILE 13 2.179 -8.273 4.205
73 HB ILE 13 HB ILE 13 4.036 -8.772 1.794
74 HG12 ILE 13 HG12 ILE 13 3.365 -10.995 2.499
75 HG13 ILE 13 HG13 ILE 13 4.988 -10.689 3.100
76 HG21 ILE 13 HG21 ILE 13 4.975 -7.007 3.233
77 HG22 ILE 13 HG22 ILE 13 4.699 -7.982 4.694
78 HG23 ILE 13 HG23 ILE 13 5.905 -8.493 3.481
79 HD11 ILE 13 HD11 ILE 13 4.011 -10.190 5.412
80 HD12 ILE 13 HD12 ILE 13 2.388 -10.593 4.769
81 HD13 ILE 13 HD13 ILE 13 3.662 -11.834 4.822
82 H LEU 14 H LEU 14 2.357 -7.231 0.696
83 HA LEU 14 HA LEU 14 3.358 -4.640 1.494
84 HB2 LEU 14 HB2 LEU 14 1.995 -5.345 -1.156
85 HB3 LEU 14 HB3 LEU 14 2.969 -3.898 -0.799
86 HG LEU 14 HG LEU 14 3.980 -6.810 -1.013
87 HD11 LEU 14 HD11 LEU 14 3.566 -5.588 -3.175
88 HD12 LEU 14 HD12 LEU 14 5.297 -5.929 -2.921
89 HD13 LEU 14 HD13 LEU 14 4.664 -4.284 -2.636
90 HD21 LEU 14 HD21 LEU 14 5.536 -4.307 -0.119
91 HD22 LEU 14 HD22 LEU 14 6.298 -5.842 -0.623
92 HD23 LEU 14 HD23 LEU 14 5.288 -5.808 0.831
93 H ASP 15 H ASP 15 0.017 -5.962 0.893
94 HA ASP 15 HA ASP 15 -1.320 -3.589 0.574
95 HB2 ASP 15 HB2 ASP 15 -2.440 -5.833 0.615
96 HB3 ASP 15 HB3 ASP 15 -2.266 -5.877 2.394
97 H ASN 16 H ASN 16 -0.070 -4.881 3.777
98 HA ASN 16 HA ASN 16 -1.465 -2.881 5.304
99 HB2 ASN 16 HB2 ASN 16 0.920 -4.678 5.962
100 HB3 ASN 16 HB3 ASN 16 0.576 -3.260 6.969
101 HD21 ASN 16 HD21 ASN 16 -1.637 -5.792 5.398
102 HD22 ASN 16 HD22 ASN 16 -2.431 -6.126 6.889
103 H LEU 17 H LEU 17 2.146 -2.950 4.646
104 HA LEU 17 HA LEU 17 2.424 -0.260 5.400
105 HB2 LEU 17 HB2 LEU 17 4.657 -0.283 4.366
106 HB3 LEU 17 HB3 LEU 17 4.306 -1.789 5.230
107 HG LEU 17 HG LEU 17 3.536 -2.614 2.748
108 HD11 LEU 17 HD11 LEU 17 5.721 -0.559 2.068
109 HD12 LEU 17 HD12 LEU 17 4.008 -0.366 1.622
110 HD13 LEU 17 HD13 LEU 17 4.950 -1.710 0.940
111 HD21 LEU 17 HD21 LEU 17 5.822 -3.582 2.414
112 HD22 LEU 17 HD22 LEU 17 5.274 -3.751 4.100
113 HD23 LEU 17 HD23 LEU 17 6.458 -2.479 3.670
114 H ALA 18 H ALA 18 1.353 -1.550 2.209
115 HA ALA 18 HA ALA 18 1.882 0.912 0.825
116 HB1 ALA 18 HB1 ALA 18 0.431 0.000 -0.972
117 HB2 ALA 18 HB2 ALA 18 1.605 -1.227 -0.407
118 HB3 ALA 18 HB3 ALA 18 -0.108 -1.321 0.104
119 H ALA 19 H ALA 19 -1.084 -0.524 2.437
120 HA ALA 19 HA ALA 19 -2.944 1.384 1.659
121 HB1 ALA 19 HB1 ALA 19 -3.562 -0.562 3.110
122 HB2 ALA 19 HB2 ALA 19 -2.654 0.144 4.480
123 HB3 ALA 19 HB3 ALA 19 -4.114 0.967 3.856
124 H ARG 20 H ARG 20 -0.495 1.617 4.358
125 HA ARG 20 HA ARG 20 -1.476 4.308 5.038
126 HB2 ARG 20 HB2 ARG 20 1.079 2.898 6.007
127 HB3 ARG 20 HB3 ARG 20 0.304 4.342 6.706
128 HG2 ARG 20 HG2 ARG 20 -0.764 1.432 6.742
129 HG3 ARG 20 HG3 ARG 20 -0.255 2.439 8.113
130 HD2 ARG 20 HD2 ARG 20 -2.177 4.015 7.589
131 HD3 ARG 20 HD3 ARG 20 -2.737 2.834 6.344
132 HE ARG 20 HE ARG 20 -2.440 1.423 8.780
133 HH11 ARG 20 HH12 ARG 20 -4.516 3.997 7.335
134 HH12 ARG 20 HH11 ARG 20 -5.893 3.535 8.327
135 HH21 ARG 20 HH22 ARG 20 -4.264 0.916 10.001
136 HH22 ARG 20 HH21 ARG 20 -5.761 1.833 9.803
137 H ASP 21 H ASP 21 1.321 2.901 3.141
138 HA ASP 21 HA ASP 21 2.727 5.307 2.857
139 HB2 ASP 21 HB2 ASP 21 3.474 3.121 1.793
140 HB3 ASP 21 HB3 ASP 21 2.169 3.295 0.584
141 H PHE 22 H PHE 22 -0.350 4.191 1.223
142 HA PHE 22 HA PHE 22 -0.204 6.429 -0.587
143 HB2 PHE 22 HB2 PHE 22 -1.594 4.009 -0.754
144 HB3 PHE 22 HB3 PHE 22 -2.895 5.160 -0.421
145 HD1 PHE 22 HD1 PHE 22 0.295 4.792 -2.427
146 HD2 PHE 22 HD2 PHE 22 -3.771 6.199 -2.464
147 HE1 PHE 22 HE1 PHE 22 0.579 5.549 -4.763
148 HE2 PHE 22 HE2 PHE 22 -3.515 6.845 -4.839
149 HZ PHE 22 HZ PHE 22 -1.327 6.575 -5.977
150 H ILE 23 H ILE 23 -2.508 5.602 2.154
151 HA ILE 23 HA ILE 23 -3.830 8.099 2.029
152 HB ILE 23 HB ILE 23 -3.290 6.202 4.363
153 HG12 ILE 23 HG12 ILE 23 -4.945 5.566 2.502
154 HG13 ILE 23 HG13 ILE 23 -5.575 5.508 4.160
155 HG21 ILE 23 HG21 ILE 23 -4.818 8.851 4.548
156 HG22 ILE 23 HG22 ILE 23 -4.973 7.520 5.737
157 HG23 ILE 23 HG23 ILE 23 -3.409 8.332 5.507
158 HD11 ILE 23 HD11 ILE 23 -7.222 6.486 2.546
159 HD12 ILE 23 HD12 ILE 23 -6.821 7.631 3.842
160 HD13 ILE 23 HD13 ILE 23 -6.133 7.850 2.210
161 H ASN 24 H ASN 24 -0.798 7.234 3.857
162 HA ASN 24 HA ASN 24 -0.630 9.914 4.907
163 HB2 ASN 24 HB2 ASN 24 0.413 7.822 5.951
164 HB3 ASN 24 HB3 ASN 24 1.683 7.912 4.708
165 HD21 ASN 24 HD21 ASN 24 3.306 9.689 4.968
166 HD22 ASN 24 HD22 ASN 24 3.288 10.724 6.347
167 H TRP 25 H TRP 25 0.613 8.346 1.871
168 HA TRP 25 HA TRP 25 2.529 10.153 1.101
169 HB2 TRP 25 HB2 TRP 25 2.348 8.844 -0.780
170 HB3 TRP 25 HB3 TRP 25 0.640 8.530 -0.483
171 HD1 TRP 25 HD1 TRP 25 2.627 11.565 -1.848
172 HE1 TRP 25 HE1 TRP 25 1.241 12.612 -3.681
173 HE3 TRP 25 HE3 TRP 25 -1.502 8.402 -1.759
174 HZ2 TRP 25 HZ2 TRP 25 -1.189 12.292 -4.905
175 HZ3 TRP 25 HZ3 TRP 25 -3.420 8.986 -3.236
176 HH2 TRP 25 HH2 TRP 25 -3.240 10.854 -4.845
177 H LEU 26 H LEU 26 -1.057 10.619 0.863
178 HA LEU 26 HA LEU 26 -1.039 13.078 -0.441
179 HB2 LEU 26 HB2 LEU 26 -2.858 12.188 1.856
180 HB3 LEU 26 HB3 LEU 26 -3.171 13.638 0.882
181 HG LEU 26 HG LEU 26 -3.012 10.810 -0.368
182 HD11 LEU 26 HD11 LEU 26 -4.872 10.877 1.288
183 HD12 LEU 26 HD12 LEU 26 -5.496 10.833 -0.379
184 HD13 LEU 26 HD13 LEU 26 -5.497 12.373 0.530
185 HD21 LEU 26 HD21 LEU 26 -4.240 11.889 -2.264
186 HD22 LEU 26 HD22 LEU 26 -2.657 12.652 -2.035
187 HD23 LEU 26 HD23 LEU 26 -4.129 13.471 -1.449
188 H ILE 27 H ILE 27 -0.705 12.528 3.165
189 HA ILE 27 HA ILE 27 -0.368 15.310 3.678
190 HB ILE 27 HB ILE 27 0.106 12.814 5.284
191 HG12 ILE 27 HG12 ILE 27 -1.891 14.387 5.468
192 HG13 ILE 27 HG13 ILE 27 -1.101 13.934 6.994
193 HG21 ILE 27 HG21 ILE 27 1.874 15.231 5.902
194 HG22 ILE 27 HG22 ILE 27 1.491 13.915 7.050
195 HG23 ILE 27 HG23 ILE 27 2.386 13.556 5.562
196 HD11 ILE 27 HD11 ILE 27 -0.572 16.642 5.583
197 HD12 ILE 27 HD12 ILE 27 -1.729 16.378 6.908
198 HD13 ILE 27 HD13 ILE 27 0.007 16.133 7.188
199 H GLN 28 H GLN 28 2.137 12.741 2.992
200 HA GLN 28 HA GLN 28 4.185 14.867 3.164
201 HB2 GLN 28 HB2 GLN 28 5.840 13.130 2.971
202 HB3 GLN 28 HB3 GLN 28 4.671 12.761 4.251
203 HG2 GLN 28 HG2 GLN 28 3.711 10.962 2.958
204 HG3 GLN 28 HG3 GLN 28 4.380 11.589 1.429
205 HE21 GLN 28 HE21 GLN 28 5.724 10.560 4.720
206 HE22 GLN 28 HE22 GLN 28 6.983 9.618 4.017
207 H THR 29 H THR 29 2.406 15.540 1.047
208 HA THR 29 HA THR 29 3.971 14.782 -1.391
209 HB THR 29 HB THR 29 1.189 16.061 -1.121
210 HG1 THR 29 HG1 THR 29 1.339 13.736 -0.688
211 HG21 THR 29 HG21 THR 29 1.088 15.719 -3.590
212 HG22 THR 29 HG22 THR 29 2.796 15.194 -3.607
213 HG23 THR 29 HG23 THR 29 2.378 16.883 -3.178
214 H LYS 30 H LYS 30 2.342 17.782 0.056
215 HA LYS 30 HA LYS 30 4.156 19.384 -1.582
216 HB2 LYS 30 HB2 LYS 30 1.774 20.024 -1.201
217 HB3 LYS 30 HB3 LYS 30 2.089 20.198 0.537
218 HG2 LYS 30 HG2 LYS 30 2.034 22.405 -0.594
219 HG3 LYS 30 HG3 LYS 30 3.602 22.090 0.171
220 HD2 LYS 30 HD2 LYS 30 3.804 23.213 -2.053
221 HD3 LYS 30 HD3 LYS 30 4.687 21.682 -1.982
222 HE2 LYS 30 HE2 LYS 30 3.572 21.956 -4.154
223 HE3 LYS 30 HE3 LYS 30 2.883 20.553 -3.324
224 HZ1 LYS 30 HZ1 LYS 30 1.175 21.962 -4.421
225 HZ2 LYS 30 HZ2 LYS 30 1.615 23.314 -3.420
226 HZ3 LYS 30 HZ3 LYS 30 0.893 21.885 -2.721
227 H ILE 31 H ILE 31 3.716 18.659 1.986
228 HA ILE 31 HA ILE 31 5.793 20.433 2.702
229 HB ILE 31 HB ILE 31 4.136 19.649 4.330
230 HG12 ILE 31 HG12 ILE 31 7.065 19.137 5.166
231 HG13 ILE 31 HG13 ILE 31 6.274 20.729 5.043
232 HG21 ILE 31 HG21 ILE 31 4.231 17.466 5.454
233 HG22 ILE 31 HG22 ILE 31 4.138 17.169 3.721
234 HG23 ILE 31 HG23 ILE 31 5.704 17.008 4.563
235 HD11 ILE 31 HD11 ILE 31 6.293 20.123 7.388
236 HD12 ILE 31 HD12 ILE 31 4.601 19.983 6.833
237 HD13 ILE 31 HD13 ILE 31 5.598 18.516 7.080
238 H THR 32 H THR 32 5.988 16.796 2.061
239 HA THR 32 HA THR 32 8.949 17.087 2.352
240 HB THR 32 HB THR 32 7.344 14.540 1.968
241 HG1 THR 32 HG1 THR 32 7.506 14.486 4.358
242 HG21 THR 32 HG21 THR 32 9.361 13.443 2.954
243 HG22 THR 32 HG22 THR 32 10.162 15.030 3.121
244 HG23 THR 32 HG23 THR 32 9.824 14.361 1.495
245 H ASP 33 H ASP 33 6.471 15.675 -0.012
246 HA ASP 33 HA ASP 33 6.669 15.283 -2.267
247 HB2 ASP 33 HB2 ASP 33 7.289 17.855 -2.107
248 HB3 ASP 33 HB3 ASP 33 8.953 17.333 -2.424
Start of MODEL 2
1 H1 HIS 1 H1 HIS 1 0.603 -20.262 -8.777
2 HA HIS 1 HA HIS 1 -0.389 -18.822 -7.021
3 HB2 HIS 1 HB2 HIS 1 2.244 -17.302 -7.500
4 HB3 HIS 1 HB3 HIS 1 0.910 -16.688 -6.485
5 HD1 HIS 1 HD1 HIS 1 0.696 -17.719 -4.163
6 HD2 HIS 1 HD2 HIS 1 3.557 -19.594 -6.606
7 HE1 HIS 1 HE1 HIS 1 1.964 -19.288 -2.642
8 H ALA 2 H ALA 2 -1.853 -18.883 -8.978
9 HA ALA 2 HA ALA 2 -1.502 -16.454 -10.742
10 HB1 ALA 2 HB1 ALA 2 -2.267 -19.322 -11.550
11 HB2 ALA 2 HB2 ALA 2 -2.262 -17.886 -12.620
12 HB3 ALA 2 HB3 ALA 2 -0.730 -18.492 -11.921
13 H ASP 3 H ASP 3 -3.049 -15.383 -9.213
14 HA ASP 3 HA ASP 3 -5.204 -14.747 -8.657
15 HB2 ASP 3 HB2 ASP 3 -5.220 -14.498 -11.147
16 HB3 ASP 3 HB3 ASP 3 -5.899 -16.135 -11.314
17 H GLY 4 H GLY 4 -4.637 -16.561 -6.924
18 HA2 GLY 4 HA2 GLY 4 -6.892 -18.575 -7.017
19 HA3 GLY 4 HA3 GLY 4 -5.346 -18.829 -6.185
20 H SER 5 H SER 5 -7.444 -19.153 -4.528
21 HA SER 5 HA SER 5 -8.594 -16.702 -3.587
22 HB2 SER 5 HB2 SER 5 -9.795 -18.775 -3.194
23 HB3 SER 5 HB3 SER 5 -8.470 -19.438 -2.216
24 HG SER 5 HG SER 5 -9.993 -17.110 -1.487
25 H PHE 6 H PHE 6 -6.281 -18.834 -1.642
26 HA PHE 6 HA PHE 6 -5.429 -16.382 -0.229
27 HB2 PHE 6 HB2 PHE 6 -4.878 -19.354 0.195
28 HB3 PHE 6 HB3 PHE 6 -3.728 -18.143 0.785
29 HD1 PHE 6 HD1 PHE 6 -7.489 -17.727 0.670
30 HD2 PHE 6 HD2 PHE 6 -4.032 -18.415 3.138
31 HE1 PHE 6 HE1 PHE 6 -8.781 -17.087 2.669
32 HE2 PHE 6 HE2 PHE 6 -5.340 -17.814 5.135
33 HZ PHE 6 HZ PHE 6 -7.710 -17.111 4.908
34 H SER 7 H SER 7 -4.194 -18.439 -2.955
35 HA SER 7 HA SER 7 -1.514 -17.652 -2.781
36 HB2 SER 7 HB2 SER 7 -3.256 -17.986 -5.299
37 HB3 SER 7 HB3 SER 7 -1.519 -17.618 -5.342
38 HG SER 7 HG SER 7 -2.622 -19.971 -4.103
39 H ASP 8 H ASP 8 -4.402 -15.756 -4.066
40 HA ASP 8 HA ASP 8 -2.803 -13.582 -4.971
41 HB2 ASP 8 HB2 ASP 8 -5.223 -13.773 -5.536
42 HB3 ASP 8 HB3 ASP 8 -5.656 -13.467 -3.830
43 H GLU 9 H GLU 9 -4.268 -14.284 -1.662
44 HA GLU 9 HA GLU 9 -3.194 -11.846 -0.587
45 HB2 GLU 9 HB2 GLU 9 -4.045 -14.395 0.910
46 HB3 GLU 9 HB3 GLU 9 -3.496 -12.908 1.701
47 HG2 GLU 9 HG2 GLU 9 -5.789 -12.577 1.827
48 HG3 GLU 9 HG3 GLU 9 -5.408 -11.663 0.359
49 H MET 10 H MET 10 -1.250 -14.480 -1.713
50 HA MET 10 HA MET 10 0.583 -14.625 0.375
51 HB2 MET 10 HB2 MET 10 2.289 -15.286 -1.181
52 HB3 MET 10 HB3 MET 10 0.744 -15.930 -1.780
53 HG2 MET 10 HG2 MET 10 1.909 -15.085 -3.719
54 HG3 MET 10 HG3 MET 10 0.699 -13.814 -3.371
55 HE1 MET 10 HE1 MET 10 3.811 -11.753 -4.653
56 HE2 MET 10 HE2 MET 10 3.591 -13.460 -5.162
57 HE3 MET 10 HE3 MET 10 2.171 -12.371 -5.034
58 H ASN 11 H ASN 11 -0.040 -11.867 -1.892
59 HA ASN 11 HA ASN 11 2.407 -10.529 -0.912
60 HB2 ASN 11 HB2 ASN 11 1.498 -10.597 -3.362
61 HB3 ASN 11 HB3 ASN 11 0.356 -9.341 -2.834
62 HD21 ASN 11 HD21 ASN 11 2.210 -8.840 -4.924
63 HD22 ASN 11 HD22 ASN 11 3.431 -7.767 -4.351
64 H THR 12 H THR 12 -0.613 -10.900 0.553
65 HA THR 12 HA THR 12 -1.358 -8.249 1.133
66 HB THR 12 HB THR 12 -1.525 -10.738 2.929
67 HG1 THR 12 HG1 THR 12 -3.405 -9.727 1.004
68 HG21 THR 12 HG21 THR 12 -2.041 -8.678 4.269
69 HG22 THR 12 HG22 THR 12 -3.526 -9.612 3.943
70 HG23 THR 12 HG23 THR 12 -3.187 -8.134 3.004
71 H ILE 13 H ILE 13 1.424 -10.181 2.338
72 HA ILE 13 HA ILE 13 2.019 -8.868 4.695
73 HB ILE 13 HB ILE 13 4.065 -9.402 2.457
74 HG12 ILE 13 HG12 ILE 13 3.128 -11.581 2.917
75 HG13 ILE 13 HG13 ILE 13 4.676 -11.487 3.746
76 HG21 ILE 13 HG21 ILE 13 5.763 -9.425 4.342
77 HG22 ILE 13 HG22 ILE 13 5.006 -7.841 4.111
78 HG23 ILE 13 HG23 ILE 13 4.486 -8.877 5.462
79 HD11 ILE 13 HD11 ILE 13 1.900 -11.229 5.063
80 HD12 ILE 13 HD12 ILE 13 3.038 -12.586 5.199
81 HD13 ILE 13 HD13 ILE 13 3.449 -11.018 5.937
82 H LEU 14 H LEU 14 2.606 -7.609 1.311
83 HA LEU 14 HA LEU 14 3.689 -5.124 2.414
84 HB2 LEU 14 HB2 LEU 14 2.765 -5.726 -0.438
85 HB3 LEU 14 HB3 LEU 14 3.700 -4.305 0.092
86 HG LEU 14 HG LEU 14 4.684 -7.236 0.130
87 HD11 LEU 14 HD11 LEU 14 6.238 -6.498 -1.655
88 HD12 LEU 14 HD12 LEU 14 5.590 -4.834 -1.575
89 HD13 LEU 14 HD13 LEU 14 4.561 -6.170 -2.159
90 HD21 LEU 14 HD21 LEU 14 6.941 -6.223 0.725
91 HD22 LEU 14 HD22 LEU 14 5.766 -6.083 2.041
92 HD23 LEU 14 HD23 LEU 14 6.128 -4.661 1.014
93 H ASP 15 H ASP 15 0.371 -6.210 1.433
94 HA ASP 15 HA ASP 15 -0.750 -3.757 0.930
95 HB2 ASP 15 HB2 ASP 15 -2.105 -5.854 0.891
96 HB3 ASP 15 HB3 ASP 15 -2.020 -5.945 2.672
97 H ASN 16 H ASN 16 -0.069 -5.090 4.276
98 HA ASN 16 HA ASN 16 -1.355 -2.966 5.671
99 HB2 ASN 16 HB2 ASN 16 0.976 -4.812 6.418
100 HB3 ASN 16 HB3 ASN 16 0.681 -3.362 7.389
101 HD21 ASN 16 HD21 ASN 16 -1.716 -5.771 5.894
102 HD22 ASN 16 HD22 ASN 16 -2.481 -6.041 7.410
103 H LEU 17 H LEU 17 1.893 -3.124 4.092
104 HA LEU 17 HA LEU 17 2.688 -0.579 5.281
105 HB2 LEU 17 HB2 LEU 17 4.000 -1.832 2.816
106 HB3 LEU 17 HB3 LEU 17 4.687 -0.694 3.996
107 HG LEU 17 HG LEU 17 4.064 -3.702 4.403
108 HD11 LEU 17 HD11 LEU 17 6.714 -2.164 4.545
109 HD12 LEU 17 HD12 LEU 17 6.159 -3.124 3.144
110 HD13 LEU 17 HD13 LEU 17 6.482 -3.930 4.702
111 HD21 LEU 17 HD21 LEU 17 3.454 -2.575 6.529
112 HD22 LEU 17 HD22 LEU 17 5.016 -1.695 6.526
113 HD23 LEU 17 HD23 LEU 17 4.977 -3.475 6.708
114 H ALA 18 H ALA 18 1.683 -1.710 1.940
115 HA ALA 18 HA ALA 18 1.833 0.791 0.718
116 HB1 ALA 18 HB1 ALA 18 0.183 -0.078 -0.953
117 HB2 ALA 18 HB2 ALA 18 1.406 -1.321 -0.558
118 HB3 ALA 18 HB3 ALA 18 -0.236 -1.421 0.150
119 H ALA 19 H ALA 19 -0.841 -0.639 2.729
120 HA ALA 19 HA ALA 19 -2.882 1.109 2.122
121 HB1 ALA 19 HB1 ALA 19 -2.133 0.096 4.944
122 HB2 ALA 19 HB2 ALA 19 -3.704 0.812 4.483
123 HB3 ALA 19 HB3 ALA 19 -3.183 -0.741 3.765
124 H ARG 20 H ARG 20 -0.183 1.653 4.526
125 HA ARG 20 HA ARG 20 -1.128 4.427 4.879
126 HB2 ARG 20 HB2 ARG 20 0.811 2.663 6.378
127 HB3 ARG 20 HB3 ARG 20 1.331 4.343 6.178
128 HG2 ARG 20 HG2 ARG 20 0.084 4.148 8.286
129 HG3 ARG 20 HG3 ARG 20 -0.753 5.192 7.140
130 HD2 ARG 20 HD2 ARG 20 -2.508 3.916 8.017
131 HD3 ARG 20 HD3 ARG 20 -2.163 3.032 6.501
132 HE ARG 20 HE ARG 20 -0.638 1.896 8.659
133 HH11 ARG 20 HH12 ARG 20 -4.052 2.184 7.524
134 HH12 ARG 20 HH11 ARG 20 -4.529 0.729 8.389
135 HH21 ARG 20 HH22 ARG 20 -1.363 0.065 9.748
136 HH22 ARG 20 HH21 ARG 20 -3.046 -0.449 9.619
137 H ASP 21 H ASP 21 1.319 2.823 2.788
138 HA ASP 21 HA ASP 21 2.893 5.081 2.340
139 HB2 ASP 21 HB2 ASP 21 3.316 2.916 1.154
140 HB3 ASP 21 HB3 ASP 21 1.866 3.178 0.149
141 H PHE 22 H PHE 22 -0.335 4.255 0.760
142 HA PHE 22 HA PHE 22 -0.221 6.730 -0.714
143 HB2 PHE 22 HB2 PHE 22 -2.244 6.201 -1.736
144 HB3 PHE 22 HB3 PHE 22 -1.517 4.616 -1.443
145 HD1 PHE 22 HD2 PHE 22 -4.047 7.123 -0.295
146 HD2 PHE 22 HD1 PHE 22 -2.670 3.067 0.148
147 HE1 PHE 22 HE2 PHE 22 -6.122 6.553 0.913
148 HE2 PHE 22 HE1 PHE 22 -4.765 2.500 1.347
149 HZ PHE 22 HZ PHE 22 -6.473 4.245 1.764
150 H ILE 23 H ILE 23 -1.927 5.625 2.322
151 HA ILE 23 HA ILE 23 -3.493 7.965 2.468
152 HB ILE 23 HB ILE 23 -3.224 5.674 4.165
153 HG12 ILE 23 HG12 ILE 23 -5.351 6.656 3.405
154 HG13 ILE 23 HG13 ILE 23 -5.322 6.281 5.139
155 HG21 ILE 23 HG21 ILE 23 -3.136 6.530 6.466
156 HG22 ILE 23 HG22 ILE 23 -1.614 6.832 5.593
157 HG23 ILE 23 HG23 ILE 23 -2.749 8.172 5.879
158 HD11 ILE 23 HD11 ILE 23 -6.463 8.452 4.621
159 HD12 ILE 23 HD12 ILE 23 -5.094 8.659 5.740
160 HD13 ILE 23 HD13 ILE 23 -4.923 9.128 4.022
161 H ASN 24 H ASN 24 -0.121 7.368 3.615
162 HA ASN 24 HA ASN 24 -0.008 10.110 4.706
163 HB2 ASN 24 HB2 ASN 24 1.748 7.703 4.982
164 HB3 ASN 24 HB3 ASN 24 2.658 9.170 4.665
165 HD21 ASN 24 HD21 ASN 24 0.200 7.745 6.939
166 HD22 ASN 24 HD22 ASN 24 0.600 8.815 8.229
167 H TRP 25 H TRP 25 0.114 9.003 1.478
168 HA TRP 25 HA TRP 25 2.177 10.924 0.685
169 HB2 TRP 25 HB2 TRP 25 2.124 9.618 -1.175
170 HB3 TRP 25 HB3 TRP 25 0.534 8.963 -0.801
171 HD1 TRP 25 HD1 TRP 25 1.921 12.311 -2.252
172 HE1 TRP 25 HE1 TRP 25 0.279 13.125 -3.983
173 HE3 TRP 25 HE3 TRP 25 -1.762 8.688 -1.729
174 HZ2 TRP 25 HZ2 TRP 25 -2.138 12.412 -5.071
175 HZ3 TRP 25 HZ3 TRP 25 -3.755 8.853 -3.217
176 HH2 TRP 25 HH2 TRP 25 -3.930 10.672 -4.885
177 H LEU 26 H LEU 26 -1.453 10.814 0.864
178 HA LEU 26 HA LEU 26 -1.948 13.168 -0.511
179 HB2 LEU 26 HB2 LEU 26 -3.365 12.221 2.045
180 HB3 LEU 26 HB3 LEU 26 -3.991 13.494 0.972
181 HG LEU 26 HG LEU 26 -3.615 10.546 0.120
182 HD11 LEU 26 HD11 LEU 26 -6.088 10.400 0.255
183 HD12 LEU 26 HD12 LEU 26 -6.175 12.082 0.848
184 HD13 LEU 26 HD13 LEU 26 -5.405 10.816 1.845
185 HD21 LEU 26 HD21 LEU 26 -3.465 12.071 -1.859
186 HD22 LEU 26 HD22 LEU 26 -4.949 12.913 -1.340
187 HD23 LEU 26 HD23 LEU 26 -5.013 11.210 -1.865
188 H ILE 27 H ILE 27 -1.023 12.884 2.992
189 HA ILE 27 HA ILE 27 -1.325 15.692 3.418
190 HB ILE 27 HB ILE 27 -0.066 15.506 5.483
191 HG12 ILE 27 HG12 ILE 27 0.647 12.960 6.110
192 HG13 ILE 27 HG13 ILE 27 0.892 12.856 4.365
193 HG21 ILE 27 HG21 ILE 27 -1.532 13.950 6.672
194 HG22 ILE 27 HG22 ILE 27 -2.464 14.766 5.397
195 HG23 ILE 27 HG23 ILE 27 -1.932 13.077 5.174
196 HD11 ILE 27 HD11 ILE 27 2.238 14.793 6.351
197 HD12 ILE 27 HD12 ILE 27 3.014 13.448 5.469
198 HD13 ILE 27 HD13 ILE 27 2.487 14.908 4.596
199 H GLN 28 H GLN 28 1.467 13.797 2.088
200 HA GLN 28 HA GLN 28 3.033 16.329 2.091
201 HB2 GLN 28 HB2 GLN 28 4.977 14.969 1.403
202 HB3 GLN 28 HB3 GLN 28 4.302 14.404 2.938
203 HG2 GLN 28 HG2 GLN 28 3.431 12.438 1.919
204 HG3 GLN 28 HG3 GLN 28 3.497 13.119 0.265
205 HE21 GLN 28 HE21 GLN 28 4.651 11.066 -0.354
206 HE22 GLN 28 HE22 GLN 28 6.323 10.922 0.029
207 H THR 29 H THR 29 0.643 16.129 0.244
208 HA THR 29 HA THR 29 1.710 15.462 -2.343
209 HB THR 29 HB THR 29 -0.672 17.240 -1.601
210 HG1 THR 29 HG1 THR 29 -1.759 15.186 -2.101
211 HG21 THR 29 HG21 THR 29 0.066 15.954 -4.309
212 HG22 THR 29 HG22 THR 29 0.177 17.706 -3.957
213 HG23 THR 29 HG23 THR 29 -1.409 16.891 -3.955
214 H LYS 30 H LYS 30 1.059 18.705 -0.732
215 HA LYS 30 HA LYS 30 2.153 20.132 -2.853
216 HB2 LYS 30 HB2 LYS 30 2.195 22.092 -1.552
217 HB3 LYS 30 HB3 LYS 30 0.755 21.201 -1.036
218 HG2 LYS 30 HG2 LYS 30 3.448 21.362 0.484
219 HG3 LYS 30 HG3 LYS 30 2.043 22.392 0.790
220 HD2 LYS 30 HD2 LYS 30 2.092 19.351 1.319
221 HD3 LYS 30 HD3 LYS 30 2.276 20.657 2.496
222 HE2 LYS 30 HE2 LYS 30 -0.049 21.502 1.838
223 HE3 LYS 30 HE3 LYS 30 -0.246 20.031 0.854
224 HZ1 LYS 30 HZ1 LYS 30 0.249 20.130 3.848
225 HZ2 LYS 30 HZ2 LYS 30 0.188 18.664 2.911
226 HZ3 LYS 30 HZ3 LYS 30 -1.221 19.670 3.054
227 H ILE 31 H ILE 31 3.878 18.743 -0.022
228 HA ILE 31 HA ILE 31 6.277 20.246 -0.690
229 HB ILE 31 HB ILE 31 5.635 19.695 1.665
230 HG12 ILE 31 HG12 ILE 31 8.446 18.825 0.745
231 HG13 ILE 31 HG13 ILE 31 7.904 20.488 1.093
232 HG21 ILE 31 HG21 ILE 31 6.063 17.473 2.640
233 HG22 ILE 31 HG22 ILE 31 5.022 17.266 1.241
234 HG23 ILE 31 HG23 ILE 31 6.754 16.878 1.102
235 HD11 ILE 31 HD11 ILE 31 9.157 19.725 3.033
236 HD12 ILE 31 HD12 ILE 31 7.438 19.763 3.512
237 HD13 ILE 31 HD13 ILE 31 8.244 18.208 3.142
238 H THR 32 H THR 32 5.151 16.780 -1.136
239 HA THR 32 HA THR 32 7.758 16.243 -2.479
240 HB THR 32 HB THR 32 5.573 14.268 -1.646
241 HG1 THR 32 HG1 THR 32 8.043 14.898 -0.364
242 HG21 THR 32 HG21 THR 32 6.939 13.466 -3.598
243 HG22 THR 32 HG22 THR 32 7.314 12.563 -2.104
244 HG23 THR 32 HG23 THR 32 8.437 13.820 -2.690
245 H ASP 33 H ASP 33 4.215 15.440 -3.154
246 HA ASP 33 HA ASP 33 4.316 16.697 -5.735
247 HB2 ASP 33 HB2 ASP 33 5.821 14.788 -6.366
248 HB3 ASP 33 HB3 ASP 33 4.696 13.635 -5.612
Start of MODEL 3
1 H1 HIS 1 H1 HIS 1 4.945 -18.498 -10.938
2 HA HIS 1 HA HIS 1 4.033 -16.261 -9.202
3 HB2 HIS 1 HB2 HIS 1 3.328 -16.812 -12.156
4 HB3 HIS 1 HB3 HIS 1 2.426 -15.680 -11.120
5 HD1 HIS 1 HD1 HIS 1 3.123 -13.420 -11.772
6 HD2 HIS 1 HD2 HIS 1 6.376 -16.086 -11.622
7 HE1 HIS 1 HE1 HIS 1 5.174 -12.031 -12.251
8 H ALA 2 H ALA 2 1.675 -16.343 -8.607
9 HA ALA 2 HA ALA 2 0.154 -18.698 -9.411
10 HB1 ALA 2 HB1 ALA 2 -0.069 -19.624 -7.063
11 HB2 ALA 2 HB2 ALA 2 1.623 -19.724 -7.624
12 HB3 ALA 2 HB3 ALA 2 1.138 -18.435 -6.488
13 H ASP 3 H ASP 3 -2.110 -18.628 -8.449
14 HA ASP 3 HA ASP 3 -2.730 -16.281 -6.864
15 HB2 ASP 3 HB2 ASP 3 -2.631 -15.871 -9.687
16 HB3 ASP 3 HB3 ASP 3 -4.359 -16.104 -9.379
17 H GLY 4 H GLY 4 -4.679 -16.698 -5.684
18 HA2 GLY 4 HA2 GLY 4 -6.764 -18.416 -6.526
19 HA3 GLY 4 HA3 GLY 4 -5.507 -19.419 -5.734
20 H SER 5 H SER 5 -6.851 -19.881 -3.773
21 HA SER 5 HA SER 5 -8.256 -17.742 -2.483
22 HB2 SER 5 HB2 SER 5 -8.977 -20.013 -2.090
23 HB3 SER 5 HB3 SER 5 -7.418 -20.469 -1.358
24 HG SER 5 HG SER 5 -9.003 -19.817 0.293
25 H PHE 6 H PHE 6 -5.304 -19.487 -1.108
26 HA PHE 6 HA PHE 6 -4.687 -16.971 0.317
27 HB2 PHE 6 HB2 PHE 6 -3.737 -19.837 0.625
28 HB3 PHE 6 HB3 PHE 6 -2.578 -18.564 0.993
29 HD1 PHE 6 HD2 PHE 6 -5.985 -19.836 1.903
30 HD2 PHE 6 HD1 PHE 6 -2.830 -17.084 2.891
31 HE1 PHE 6 HE2 PHE 6 -7.017 -19.432 4.118
32 HE2 PHE 6 HE1 PHE 6 -3.854 -16.698 5.101
33 HZ PHE 6 HZ PHE 6 -5.949 -17.874 5.726
34 H SER 7 H SER 7 -3.406 -18.865 -2.516
35 HA SER 7 HA SER 7 -0.923 -17.584 -2.654
36 HB2 SER 7 HB2 SER 7 -2.772 -18.473 -4.955
37 HB3 SER 7 HB3 SER 7 -1.124 -17.831 -5.194
38 HG SER 7 HG SER 7 -1.672 -20.180 -3.644
39 H ASP 8 H ASP 8 -4.198 -16.194 -3.429
40 HA ASP 8 HA ASP 8 -3.002 -13.870 -4.717
41 HB2 ASP 8 HB2 ASP 8 -5.386 -14.456 -5.180
42 HB3 ASP 8 HB3 ASP 8 -5.800 -14.172 -3.468
43 H GLU 9 H GLU 9 -4.273 -14.707 -1.380
44 HA GLU 9 HA GLU 9 -3.655 -12.112 -0.325
45 HB2 GLU 9 HB2 GLU 9 -3.940 -14.821 1.094
46 HB3 GLU 9 HB3 GLU 9 -3.754 -13.291 1.966
47 HG2 GLU 9 HG2 GLU 9 -6.084 -13.768 -0.005
48 HG3 GLU 9 HG3 GLU 9 -6.176 -14.070 1.746
49 H MET 10 H MET 10 -1.392 -14.592 -1.368
50 HA MET 10 HA MET 10 0.469 -14.406 0.701
51 HB2 MET 10 HB2 MET 10 0.652 -15.977 -1.177
52 HB3 MET 10 HB3 MET 10 1.013 -14.651 -2.314
53 HG2 MET 10 HG2 MET 10 2.749 -15.245 0.182
54 HG3 MET 10 HG3 MET 10 3.025 -16.074 -1.370
55 HE1 MET 10 HE1 MET 10 4.495 -13.470 -3.736
56 HE2 MET 10 HE2 MET 10 4.644 -15.162 -3.165
57 HE3 MET 10 HE3 MET 10 3.061 -14.546 -3.744
58 H ASN 11 H ASN 11 -0.072 -12.026 -2.051
59 HA ASN 11 HA ASN 11 2.132 -10.366 -1.042
60 HB2 ASN 11 HB2 ASN 11 0.020 -9.851 -3.204
61 HB3 ASN 11 HB3 ASN 11 1.222 -8.646 -2.690
62 HD21 ASN 11 HD21 ASN 11 2.430 -8.588 -4.714
63 HD22 ASN 11 HD22 ASN 11 3.351 -9.952 -5.213
64 H THR 12 H THR 12 -0.979 -10.827 0.372
65 HA THR 12 HA THR 12 -1.776 -8.249 0.935
66 HB THR 12 HB THR 12 -1.640 -10.598 2.916
67 HG1 THR 12 HG1 THR 12 -3.715 -9.883 1.065
68 HG21 THR 12 HG21 THR 12 -3.653 -9.518 3.976
69 HG22 THR 12 HG22 THR 12 -3.459 -8.102 2.906
70 HG23 THR 12 HG23 THR 12 -2.212 -8.479 4.134
71 H ILE 13 H ILE 13 1.183 -9.934 2.167
72 HA ILE 13 HA ILE 13 1.826 -8.377 4.343
73 HB ILE 13 HB ILE 13 3.791 -8.991 2.042
74 HG12 ILE 13 HG12 ILE 13 3.030 -11.171 2.754
75 HG13 ILE 13 HG13 ILE 13 4.606 -10.896 3.481
76 HG21 ILE 13 HG21 ILE 13 4.340 -8.147 4.949
77 HG22 ILE 13 HG22 ILE 13 5.583 -8.722 3.803
78 HG23 ILE 13 HG23 ILE 13 4.712 -7.215 3.478
79 HD11 ILE 13 HD11 ILE 13 3.437 -10.279 5.685
80 HD12 ILE 13 HD12 ILE 13 1.876 -10.701 4.916
81 HD13 ILE 13 HD13 ILE 13 3.130 -11.943 5.128
82 H LEU 14 H LEU 14 2.292 -7.395 0.838
83 HA LEU 14 HA LEU 14 3.314 -4.830 1.681
84 HB2 LEU 14 HB2 LEU 14 2.115 -5.554 -1.044
85 HB3 LEU 14 HB3 LEU 14 3.067 -4.099 -0.663
86 HG LEU 14 HG LEU 14 4.113 -7.009 -0.685
87 HD11 LEU 14 HD11 LEU 14 5.504 -6.218 -2.584
88 HD12 LEU 14 HD12 LEU 14 4.819 -4.575 -2.436
89 HD13 LEU 14 HD13 LEU 14 3.778 -5.940 -2.939
90 HD21 LEU 14 HD21 LEU 14 6.398 -5.961 -0.266
91 HD22 LEU 14 HD22 LEU 14 5.323 -5.885 1.138
92 HD23 LEU 14 HD23 LEU 14 5.574 -4.425 0.126
93 H ASP 15 H ASP 15 -0.022 -6.042 0.868
94 HA ASP 15 HA ASP 15 -1.252 -3.631 0.454
95 HB2 ASP 15 HB2 ASP 15 -2.452 -5.839 0.459
96 HB3 ASP 15 HB3 ASP 15 -2.400 -5.847 2.247
97 H ASN 16 H ASN 16 -0.207 -4.912 3.736
98 HA ASN 16 HA ASN 16 -1.614 -2.835 5.153
99 HB2 ASN 16 HB2 ASN 16 0.658 -4.709 5.973
100 HB3 ASN 16 HB3 ASN 16 0.312 -3.261 6.935
101 HD21 ASN 16 HD21 ASN 16 -1.916 -5.723 5.276
102 HD22 ASN 16 HD22 ASN 16 -2.804 -6.000 6.724
103 H LEU 17 H LEU 17 2.027 -3.040 4.685
104 HA LEU 17 HA LEU 17 2.335 -0.345 5.433
105 HB2 LEU 17 HB2 LEU 17 4.626 -0.440 4.571
106 HB3 LEU 17 HB3 LEU 17 4.175 -1.934 5.410
107 HG LEU 17 HG LEU 17 3.580 -2.762 2.888
108 HD11 LEU 17 HD11 LEU 17 5.127 -1.882 1.177
109 HD12 LEU 17 HD12 LEU 17 5.833 -0.738 2.351
110 HD13 LEU 17 HD13 LEU 17 4.161 -0.522 1.784
111 HD21 LEU 17 HD21 LEU 17 5.211 -3.906 4.363
112 HD22 LEU 17 HD22 LEU 17 6.432 -2.648 4.013
113 HD23 LEU 17 HD23 LEU 17 5.877 -3.750 2.720
114 H ALA 18 H ALA 18 1.501 -1.669 2.187
115 HA ALA 18 HA ALA 18 2.102 0.784 0.810
116 HB1 ALA 18 HB1 ALA 18 0.145 -1.456 0.005
117 HB2 ALA 18 HB2 ALA 18 0.761 -0.157 -1.057
118 HB3 ALA 18 HB3 ALA 18 1.886 -1.389 -0.408
119 H ALA 19 H ALA 19 -0.918 -0.617 2.354
120 HA ALA 19 HA ALA 19 -2.728 1.261 1.439
121 HB1 ALA 19 HB1 ALA 19 -3.995 0.981 3.598
122 HB2 ALA 19 HB2 ALA 19 -3.464 -0.592 2.940
123 HB3 ALA 19 HB3 ALA 19 -2.591 0.144 4.318
124 H ARG 20 H ARG 20 -0.321 1.534 4.166
125 HA ARG 20 HA ARG 20 -1.275 4.250 4.772
126 HB2 ARG 20 HB2 ARG 20 1.218 2.853 5.867
127 HB3 ARG 20 HB3 ARG 20 0.388 4.293 6.513
128 HG2 ARG 20 HG2 ARG 20 -0.620 1.365 6.526
129 HG3 ARG 20 HG3 ARG 20 -0.237 2.405 7.912
130 HD2 ARG 20 HD2 ARG 20 -2.178 3.897 7.281
131 HD3 ARG 20 HD3 ARG 20 -2.588 2.739 5.957
132 HE ARG 20 HE ARG 20 -2.445 1.258 8.365
133 HH11 ARG 20 HH12 ARG 20 -4.492 3.788 6.802
134 HH12 ARG 20 HH11 ARG 20 -5.941 3.210 7.614
135 HH21 ARG 20 HH22 ARG 20 -4.361 0.603 9.351
136 HH22 ARG 20 HH21 ARG 20 -5.875 1.452 9.027
137 H ASP 21 H ASP 21 1.434 2.791 2.820
138 HA ASP 21 HA ASP 21 3.024 5.062 2.655
139 HB2 ASP 21 HB2 ASP 21 3.578 2.949 1.433
140 HB3 ASP 21 HB3 ASP 21 2.243 3.246 0.288
141 H PHE 22 H PHE 22 -0.027 4.333 0.705
142 HA PHE 22 HA PHE 22 0.239 6.884 -0.611
143 HB2 PHE 22 HB2 PHE 22 -1.658 6.414 -1.878
144 HB3 PHE 22 HB3 PHE 22 -0.969 4.813 -1.577
145 HD1 PHE 22 HD1 PHE 22 -3.571 7.309 -0.542
146 HD2 PHE 22 HD2 PHE 22 -2.341 3.188 -0.284
147 HE1 PHE 22 HE1 PHE 22 -5.763 6.717 0.432
148 HE2 PHE 22 HE2 PHE 22 -4.577 2.593 0.620
149 HZ PHE 22 HZ PHE 22 -6.263 4.358 1.034
150 H ILE 23 H ILE 23 -1.784 5.597 2.162
151 HA ILE 23 HA ILE 23 -3.365 7.916 2.317
152 HB ILE 23 HB ILE 23 -3.212 5.545 3.904
153 HG12 ILE 23 HG12 ILE 23 -5.255 6.538 3.033
154 HG13 ILE 23 HG13 ILE 23 -5.363 6.078 4.741
155 HG21 ILE 23 HG21 ILE 23 -2.880 7.941 5.797
156 HG22 ILE 23 HG22 ILE 23 -3.317 6.276 6.254
157 HG23 ILE 23 HG23 ILE 23 -1.713 6.617 5.563
158 HD11 ILE 23 HD11 ILE 23 -4.923 8.995 3.790
159 HD12 ILE 23 HD12 ILE 23 -6.490 8.279 4.243
160 HD13 ILE 23 HD13 ILE 23 -5.210 8.449 5.466
161 H ASN 24 H ASN 24 -0.069 7.307 3.625
162 HA ASN 24 HA ASN 24 -0.100 9.971 4.935
163 HB2 ASN 24 HB2 ASN 24 1.460 7.473 5.355
164 HB3 ASN 24 HB3 ASN 24 2.536 8.836 5.121
165 HD21 ASN 24 HD21 ASN 24 2.488 10.607 6.761
166 HD22 ASN 24 HD22 ASN 24 1.672 10.353 8.257
167 H TRP 25 H TRP 25 0.254 9.132 1.701
168 HA TRP 25 HA TRP 25 2.454 11.039 1.234
169 HB2 TRP 25 HB2 TRP 25 2.618 9.816 -0.679
170 HB3 TRP 25 HB3 TRP 25 1.014 9.113 -0.488
171 HD1 TRP 25 HD1 TRP 25 2.473 12.530 -1.679
172 HE1 TRP 25 HE1 TRP 25 1.005 13.380 -3.546
173 HE3 TRP 25 HE3 TRP 25 -1.195 8.858 -1.643
174 HZ2 TRP 25 HZ2 TRP 25 -1.270 12.668 -4.908
175 HZ3 TRP 25 HZ3 TRP 25 -3.021 9.035 -3.333
176 HH2 TRP 25 HH2 TRP 25 -3.044 10.899 -4.964
177 H LEU 26 H LEU 26 -1.186 10.887 0.955
178 HA LEU 26 HA LEU 26 -1.552 13.313 -0.331
179 HB2 LEU 26 HB2 LEU 26 -3.227 12.221 2.008
180 HB3 LEU 26 HB3 LEU 26 -3.750 13.541 0.937
181 HG LEU 26 HG LEU 26 -3.256 10.630 -0.004
182 HD11 LEU 26 HD11 LEU 26 -5.889 12.121 0.513
183 HD12 LEU 26 HD12 LEU 26 -5.217 10.813 1.531
184 HD13 LEU 26 HD13 LEU 26 -5.718 10.467 -0.143
185 HD21 LEU 26 HD21 LEU 26 -4.446 13.056 -1.492
186 HD22 LEU 26 HD22 LEU 26 -4.427 11.375 -2.094
187 HD23 LEU 26 HD23 LEU 26 -2.901 12.251 -1.879
188 H ILE 27 H ILE 27 -1.038 12.807 3.234
189 HA ILE 27 HA ILE 27 -1.395 15.573 3.823
190 HB ILE 27 HB ILE 27 -0.298 15.237 5.973
191 HG12 ILE 27 HG12 ILE 27 0.349 12.625 6.451
192 HG13 ILE 27 HG13 ILE 27 0.760 12.674 4.734
193 HG21 ILE 27 HG21 ILE 27 -2.683 14.538 5.646
194 HG22 ILE 27 HG22 ILE 27 -2.147 12.863 5.330
195 HG23 ILE 27 HG23 ILE 27 -1.860 13.609 6.922
196 HD11 ILE 27 HD11 ILE 27 2.303 14.713 5.303
197 HD12 ILE 27 HD12 ILE 27 1.903 14.417 7.008
198 HD13 ILE 27 HD13 ILE 27 2.766 13.170 6.065
199 H GLN 28 H GLN 28 1.545 13.810 2.647
200 HA GLN 28 HA GLN 28 3.047 16.363 2.985
201 HB2 GLN 28 HB2 GLN 28 5.095 15.074 2.411
202 HB3 GLN 28 HB3 GLN 28 4.287 14.433 3.848
203 HG2 GLN 28 HG2 GLN 28 3.551 12.500 2.667
204 HG3 GLN 28 HG3 GLN 28 3.735 13.261 1.058
205 HE21 GLN 28 HE21 GLN 28 5.313 11.836 0.062
206 HE22 GLN 28 HE22 GLN 28 6.822 11.479 0.812
207 H THR 29 H THR 29 0.873 16.171 0.838
208 HA THR 29 HA THR 29 2.252 15.666 -1.613
209 HB THR 29 HB THR 29 -0.173 17.469 -1.125
210 HG1 THR 29 HG1 THR 29 -1.229 15.441 -1.813
211 HG21 THR 29 HG21 THR 29 0.947 17.986 -3.337
212 HG22 THR 29 HG22 THR 29 -0.582 17.109 -3.601
213 HG23 THR 29 HG23 THR 29 0.974 16.239 -3.730
214 H LYS 30 H LYS 30 1.609 18.839 0.197
215 HA LYS 30 HA LYS 30 3.050 20.253 -1.845
216 HB2 LYS 30 HB2 LYS 30 1.832 21.074 0.767
217 HB3 LYS 30 HB3 LYS 30 3.342 21.922 0.430
218 HG2 LYS 30 HG2 LYS 30 0.967 21.802 -1.505
219 HG3 LYS 30 HG3 LYS 30 1.358 23.148 -0.420
220 HD2 LYS 30 HD2 LYS 30 2.771 24.051 -2.009
221 HD3 LYS 30 HD3 LYS 30 3.809 22.628 -1.877
222 HE2 LYS 30 HE2 LYS 30 2.208 21.492 -3.638
223 HE3 LYS 30 HE3 LYS 30 1.505 23.112 -3.846
224 HZ1 LYS 30 HZ1 LYS 30 3.798 23.946 -4.420
225 HZ2 LYS 30 HZ2 LYS 30 3.270 22.678 -5.499
226 HZ3 LYS 30 HZ3 LYS 30 4.419 22.323 -4.249
227 H ILE 31 H ILE 31 4.122 19.417 1.541
228 HA ILE 31 HA ILE 31 6.621 20.522 1.158
229 HB ILE 31 HB ILE 31 5.712 19.737 3.370
230 HG12 ILE 31 HG12 ILE 31 7.842 18.988 4.418
231 HG13 ILE 31 HG13 ILE 31 8.579 18.740 2.815
232 HG21 ILE 31 HG21 ILE 31 5.933 17.392 4.090
233 HG22 ILE 31 HG22 ILE 31 5.040 17.447 2.552
234 HG23 ILE 31 HG23 ILE 31 6.758 16.953 2.568
235 HD11 ILE 31 HD11 ILE 31 7.489 21.463 3.818
236 HD12 ILE 31 HD12 ILE 31 9.188 20.940 3.994
237 HD13 ILE 31 HD13 ILE 31 8.508 21.190 2.370
238 H THR 32 H THR 32 5.601 17.161 0.144
239 HA THR 32 HA THR 32 8.389 16.772 -0.884
240 HB THR 32 HB THR 32 6.181 14.689 -0.439
241 HG1 THR 32 HG1 THR 32 8.500 15.254 1.124
242 HG21 THR 32 HG21 THR 32 8.036 13.066 -0.838
243 HG22 THR 32 HG22 THR 32 9.147 14.401 -1.249
244 HG23 THR 32 HG23 THR 32 7.740 14.049 -2.298
245 H ASP 33 H ASP 33 4.921 16.074 -1.961
246 HA ASP 33 HA ASP 33 4.005 16.200 -4.063
247 HB2 ASP 33 HB2 ASP 33 5.107 18.620 -3.795
248 HB3 ASP 33 HB3 ASP 33 6.269 18.039 -5.006
Start of MODEL 4
1 H1 HIS 1 H1 HIS 1 0.157 -14.075 -11.713
2 HA HIS 1 HA HIS 1 2.352 -13.806 -10.567
3 HB2 HIS 1 HB2 HIS 1 2.751 -11.629 -9.382
4 HB3 HIS 1 HB3 HIS 1 2.595 -11.460 -11.148
5 HD1 HIS 1 HD1 HIS 1 0.843 -10.586 -7.975
6 HD2 HIS 1 HD2 HIS 1 0.371 -10.195 -12.134
7 HE1 HIS 1 HE1 HIS 1 -1.006 -8.893 -8.293
8 H ALA 2 H ALA 2 1.062 -15.622 -9.605
9 HA ALA 2 HA ALA 2 0.112 -16.647 -7.770
10 HB1 ALA 2 HB1 ALA 2 2.013 -15.530 -6.620
11 HB2 ALA 2 HB2 ALA 2 0.991 -14.113 -6.258
12 HB3 ALA 2 HB3 ALA 2 0.580 -15.704 -5.568
13 H ASP 3 H ASP 3 -1.986 -16.375 -9.044
14 HA ASP 3 HA ASP 3 -3.867 -14.640 -7.453
15 HB2 ASP 3 HB2 ASP 3 -4.063 -15.751 -10.310
16 HB3 ASP 3 HB3 ASP 3 -5.474 -15.161 -9.400
17 H GLY 4 H GLY 4 -5.890 -15.675 -6.745
18 HA2 GLY 4 HA2 GLY 4 -6.985 -18.006 -6.760
19 HA3 GLY 4 HA3 GLY 4 -5.421 -18.580 -6.114
20 H SER 5 H SER 5 -7.146 -19.156 -4.229
21 HA SER 5 HA SER 5 -8.207 -16.938 -2.769
22 HB2 SER 5 HB2 SER 5 -9.206 -19.131 -2.426
23 HB3 SER 5 HB3 SER 5 -7.678 -19.808 -1.818
24 HG SER 5 HG SER 5 -9.123 -17.714 -0.493
25 H PHE 6 H PHE 6 -5.425 -19.105 -1.668
26 HA PHE 6 HA PHE 6 -4.543 -16.903 0.066
27 HB2 PHE 6 HB2 PHE 6 -3.698 -19.790 -0.243
28 HB3 PHE 6 HB3 PHE 6 -2.394 -18.649 0.079
29 HD1 PHE 6 HD2 PHE 6 -5.948 -19.243 1.240
30 HD2 PHE 6 HD1 PHE 6 -1.920 -18.238 2.374
31 HE1 PHE 6 HE2 PHE 6 -6.644 -19.085 3.611
32 HE2 PHE 6 HE1 PHE 6 -2.618 -18.094 4.731
33 HZ PHE 6 HZ PHE 6 -4.983 -18.503 5.360
34 H SER 7 H SER 7 -3.374 -18.504 -3.005
35 HA SER 7 HA SER 7 -1.023 -17.171 -3.369
36 HB2 SER 7 HB2 SER 7 -3.246 -17.630 -5.397
37 HB3 SER 7 HB3 SER 7 -1.589 -17.176 -5.882
38 HG SER 7 HG SER 7 -0.907 -19.203 -4.831
39 H ASP 8 H ASP 8 -4.320 -15.658 -4.091
40 HA ASP 8 HA ASP 8 -3.144 -13.182 -4.925
41 HB2 ASP 8 HB2 ASP 8 -5.542 -13.622 -5.367
42 HB3 ASP 8 HB3 ASP 8 -5.886 -13.655 -3.614
43 H GLU 9 H GLU 9 -4.376 -14.343 -1.671
44 HA GLU 9 HA GLU 9 -3.534 -11.861 -0.418
45 HB2 GLU 9 HB2 GLU 9 -4.328 -14.553 0.809
46 HB3 GLU 9 HB3 GLU 9 -3.979 -13.102 1.774
47 HG2 GLU 9 HG2 GLU 9 -5.834 -11.846 0.745
48 HG3 GLU 9 HG3 GLU 9 -6.188 -13.194 -0.367
49 H MET 10 H MET 10 -1.494 -14.332 -1.645
50 HA MET 10 HA MET 10 0.254 -14.645 0.547
51 HB2 MET 10 HB2 MET 10 0.326 -15.812 -1.793
52 HB3 MET 10 HB3 MET 10 1.238 -14.388 -2.354
53 HG2 MET 10 HG2 MET 10 1.990 -16.394 -0.106
54 HG3 MET 10 HG3 MET 10 2.750 -16.269 -1.710
55 HE1 MET 10 HE1 MET 10 4.148 -14.144 2.003
56 HE2 MET 10 HE2 MET 10 2.452 -14.712 1.896
57 HE3 MET 10 HE3 MET 10 3.802 -15.871 1.668
58 H ASN 11 H ASN 11 -0.039 -12.041 -2.006
59 HA ASN 11 HA ASN 11 2.221 -10.566 -0.894
60 HB2 ASN 11 HB2 ASN 11 0.074 -9.646 -2.877
61 HB3 ASN 11 HB3 ASN 11 1.636 -8.839 -2.558
62 HD21 ASN 11 HD21 ASN 11 1.412 -9.314 -5.149
63 HD22 ASN 11 HD22 ASN 11 2.253 -10.740 -5.635
64 H THR 12 H THR 12 -0.855 -10.955 0.564
65 HA THR 12 HA THR 12 -1.559 -8.326 1.195
66 HB THR 12 HB THR 12 -1.624 -10.789 3.036
67 HG1 THR 12 HG1 THR 12 -3.605 -9.831 1.195
68 HG21 THR 12 HG21 THR 12 -3.278 -8.176 3.139
69 HG22 THR 12 HG22 THR 12 -2.087 -8.709 4.366
70 HG23 THR 12 HG23 THR 12 -3.589 -9.638 4.115
71 H ILE 13 H ILE 13 1.233 -10.273 2.389
72 HA ILE 13 HA ILE 13 1.923 -8.928 4.687
73 HB ILE 13 HB ILE 13 3.907 -9.468 2.391
74 HG12 ILE 13 HG12 ILE 13 3.002 -11.650 2.830
75 HG13 ILE 13 HG13 ILE 13 4.540 -11.566 3.672
76 HG21 ILE 13 HG21 ILE 13 4.888 -7.923 4.042
77 HG22 ILE 13 HG22 ILE 13 4.408 -8.986 5.390
78 HG23 ILE 13 HG23 ILE 13 5.652 -9.511 4.222
79 HD11 ILE 13 HD11 ILE 13 2.890 -12.672 5.109
80 HD12 ILE 13 HD12 ILE 13 3.285 -11.103 5.859
81 HD13 ILE 13 HD13 ILE 13 1.747 -11.316 4.967
82 H LEU 14 H LEU 14 2.410 -7.701 1.289
83 HA LEU 14 HA LEU 14 3.591 -5.232 2.310
84 HB2 LEU 14 HB2 LEU 14 2.499 -5.936 -0.463
85 HB3 LEU 14 HB3 LEU 14 3.415 -4.458 -0.090
86 HG LEU 14 HG LEU 14 4.574 -7.301 0.288
87 HD11 LEU 14 HD11 LEU 14 4.952 -5.361 -2.072
88 HD12 LEU 14 HD12 LEU 14 4.055 -6.909 -2.116
89 HD13 LEU 14 HD13 LEU 14 5.815 -6.910 -1.841
90 HD21 LEU 14 HD21 LEU 14 5.923 -4.525 0.260
91 HD22 LEU 14 HD22 LEU 14 6.784 -6.089 0.299
92 HD23 LEU 14 HD23 LEU 14 5.785 -5.605 1.680
93 H ASP 15 H ASP 15 0.214 -6.242 1.444
94 HA ASP 15 HA ASP 15 -0.903 -3.787 0.993
95 HB2 ASP 15 HB2 ASP 15 -2.255 -5.904 1.068
96 HB3 ASP 15 HB3 ASP 15 -2.135 -5.914 2.848
97 H ASN 16 H ASN 16 -0.097 -5.103 4.321
98 HA ASN 16 HA ASN 16 -1.297 -2.959 5.745
99 HB2 ASN 16 HB2 ASN 16 1.049 -4.821 6.415
100 HB3 ASN 16 HB3 ASN 16 0.816 -3.359 7.384
101 HD21 ASN 16 HD21 ASN 16 -1.682 -5.746 6.017
102 HD22 ASN 16 HD22 ASN 16 -2.382 -5.994 7.569
103 H LEU 17 H LEU 17 1.940 -3.165 4.108
104 HA LEU 17 HA LEU 17 2.738 -0.603 5.225
105 HB2 LEU 17 HB2 LEU 17 3.981 -1.806 2.697
106 HB3 LEU 17 HB3 LEU 17 4.686 -0.677 3.872
107 HG LEU 17 HG LEU 17 4.174 -3.707 4.191
108 HD11 LEU 17 HD11 LEU 17 6.256 -2.969 2.992
109 HD12 LEU 17 HD12 LEU 17 6.602 -3.832 4.514
110 HD13 LEU 17 HD13 LEU 17 6.739 -2.050 4.449
111 HD21 LEU 17 HD21 LEU 17 3.495 -2.724 6.376
112 HD22 LEU 17 HD22 LEU 17 4.990 -1.739 6.419
113 HD23 LEU 17 HD23 LEU 17 5.074 -3.524 6.530
114 H ALA 18 H ALA 18 1.621 -1.747 1.927
115 HA ALA 18 HA ALA 18 1.762 0.741 0.679
116 HB1 ALA 18 HB1 ALA 18 -0.349 -1.450 0.191
117 HB2 ALA 18 HB2 ALA 18 0.052 -0.121 -0.937
118 HB3 ALA 18 HB3 ALA 18 1.275 -1.374 -0.563
119 H ALA 19 H ALA 19 -0.890 -0.639 2.759
120 HA ALA 19 HA ALA 19 -2.919 1.145 2.194
121 HB1 ALA 19 HB1 ALA 19 -3.684 0.864 4.568
122 HB2 ALA 19 HB2 ALA 19 -3.196 -0.702 3.851
123 HB3 ALA 19 HB3 ALA 19 -2.106 0.133 4.997
124 H ARG 20 H ARG 20 -0.127 1.666 4.491
125 HA ARG 20 HA ARG 20 -1.053 4.428 4.934
126 HB2 ARG 20 HB2 ARG 20 1.038 2.671 6.235
127 HB3 ARG 20 HB3 ARG 20 1.451 4.385 6.102
128 HG2 ARG 20 HG2 ARG 20 0.339 3.952 8.242
129 HG3 ARG 20 HG3 ARG 20 -0.581 5.087 7.242
130 HD2 ARG 20 HD2 ARG 20 -2.458 3.739 7.645
131 HD3 ARG 20 HD3 ARG 20 -1.740 2.587 6.552
132 HE ARG 20 HE ARG 20 -1.269 1.180 8.301
133 HH11 ARG 20 HH12 ARG 20 -1.686 4.516 9.630
134 HH12 ARG 20 HH11 ARG 20 -1.623 3.930 11.285
135 HH21 ARG 20 HH22 ARG 20 -1.193 0.549 10.458
136 HH22 ARG 20 HH21 ARG 20 -1.344 1.742 11.751
137 H ASP 21 H ASP 21 1.354 2.824 2.756
138 HA ASP 21 HA ASP 21 2.916 5.060 2.239
139 HB2 ASP 21 HB2 ASP 21 3.286 2.887 1.053
140 HB3 ASP 21 HB3 ASP 21 1.797 3.142 0.104
141 H PHE 22 H PHE 22 -0.375 4.269 0.777
142 HA PHE 22 HA PHE 22 -0.286 6.737 -0.716
143 HB2 PHE 22 HB2 PHE 22 -2.357 6.227 -1.651
144 HB3 PHE 22 HB3 PHE 22 -1.632 4.634 -1.381
145 HD1 PHE 22 HD2 PHE 22 -4.074 7.181 -0.119
146 HD2 PHE 22 HD1 PHE 22 -2.750 3.095 0.235
147 HE1 PHE 22 HE2 PHE 22 -6.107 6.634 1.177
148 HE2 PHE 22 HE1 PHE 22 -4.813 2.550 1.501
149 HZ PHE 22 HZ PHE 22 -6.470 4.320 2.006
150 H ILE 23 H ILE 23 -1.849 5.667 2.411
151 HA ILE 23 HA ILE 23 -3.409 7.999 2.612
152 HB ILE 23 HB ILE 23 -3.027 5.741 4.331
153 HG12 ILE 23 HG12 ILE 23 -5.186 6.681 3.652
154 HG13 ILE 23 HG13 ILE 23 -5.080 6.337 5.389
155 HG21 ILE 23 HG21 ILE 23 -1.356 6.926 5.699
156 HG22 ILE 23 HG22 ILE 23 -2.490 8.272 5.976
157 HG23 ILE 23 HG23 ILE 23 -2.856 6.646 6.614
158 HD11 ILE 23 HD11 ILE 23 -4.852 8.736 5.938
159 HD12 ILE 23 HD12 ILE 23 -4.768 9.176 4.208
160 HD13 ILE 23 HD13 ILE 23 -6.269 8.496 4.889
161 H ASN 24 H ASN 24 0.015 7.441 3.665
162 HA ASN 24 HA ASN 24 0.152 10.247 4.610
163 HB2 ASN 24 HB2 ASN 24 2.188 7.955 4.572
164 HB3 ASN 24 HB3 ASN 24 2.648 9.608 5.003
165 HD21 ASN 24 HD21 ASN 24 2.109 6.872 6.707
166 HD22 ASN 24 HD22 ASN 24 1.369 7.590 8.088
167 H TRP 25 H TRP 25 0.123 9.058 1.453
168 HA TRP 25 HA TRP 25 2.168 10.991 0.544
169 HB2 TRP 25 HB2 TRP 25 2.078 9.611 -1.277
170 HB3 TRP 25 HB3 TRP 25 0.499 8.960 -0.842
171 HD1 TRP 25 HD1 TRP 25 1.826 12.299 -2.377
172 HE1 TRP 25 HE1 TRP 25 0.126 13.088 -4.065
173 HE3 TRP 25 HE3 TRP 25 -1.818 8.666 -1.702
174 HZ2 TRP 25 HZ2 TRP 25 -2.320 12.353 -5.070
175 HZ3 TRP 25 HZ3 TRP 25 -3.854 8.794 -3.138
176 HH2 TRP 25 HH2 TRP 25 -4.095 10.601 -4.814
177 H LEU 26 H LEU 26 -1.466 10.752 0.824
178 HA LEU 26 HA LEU 26 -2.116 13.100 -0.452
179 HB2 LEU 26 HB2 LEU 26 -3.323 12.149 2.198
180 HB3 LEU 26 HB3 LEU 26 -4.028 13.408 1.157
181 HG LEU 26 HG LEU 26 -3.718 10.436 0.374
182 HD11 LEU 26 HD11 LEU 26 -6.224 12.087 1.041
183 HD12 LEU 26 HD12 LEU 26 -5.474 10.862 2.107
184 HD13 LEU 26 HD13 LEU 26 -6.187 10.369 0.549
185 HD21 LEU 26 HD21 LEU 26 -3.554 11.829 -1.691
186 HD22 LEU 26 HD22 LEU 26 -4.972 12.788 -1.186
187 HD23 LEU 26 HD23 LEU 26 -5.148 11.065 -1.621
188 H ILE 27 H ILE 27 -0.886 12.807 2.963
189 HA ILE 27 HA ILE 27 -1.195 15.625 3.403
190 HB ILE 27 HB ILE 27 0.132 15.442 5.417
191 HG12 ILE 27 HG12 ILE 27 0.878 12.890 6.015
192 HG13 ILE 27 HG13 ILE 27 1.078 12.801 4.263
193 HG21 ILE 27 HG21 ILE 27 -2.263 14.694 5.418
194 HG22 ILE 27 HG22 ILE 27 -1.730 13.005 5.174
195 HG23 ILE 27 HG23 ILE 27 -1.279 13.881 6.659
196 HD11 ILE 27 HD11 ILE 27 3.223 13.413 5.304
197 HD12 ILE 27 HD12 ILE 27 2.649 14.880 4.470
198 HD13 ILE 27 HD13 ILE 27 2.459 14.735 6.231
199 H GLN 28 H GLN 28 1.581 13.733 1.981
200 HA GLN 28 HA GLN 28 3.096 16.299 1.961
201 HB2 GLN 28 HB2 GLN 28 5.079 15.012 1.275
202 HB3 GLN 28 HB3 GLN 28 4.432 14.416 2.810
203 HG2 GLN 28 HG2 GLN 28 3.583 12.431 1.798
204 HG3 GLN 28 HG3 GLN 28 3.668 13.085 0.139
205 HE21 GLN 28 HE21 GLN 28 4.744 10.835 -0.131
206 HE22 GLN 28 HE22 GLN 28 6.448 10.782 0.137
207 H THR 29 H THR 29 0.763 16.167 0.146
208 HA THR 29 HA THR 29 1.807 15.356 -2.439
209 HB THR 29 HB THR 29 -0.633 17.072 -1.748
210 HG1 THR 29 HG1 THR 29 -0.656 14.724 -1.252
211 HG21 THR 29 HG21 THR 29 -1.301 16.643 -4.130
212 HG22 THR 29 HG22 THR 29 0.306 15.929 -4.457
213 HG23 THR 29 HG23 THR 29 0.159 17.668 -4.050
214 H LYS 30 H LYS 30 1.255 18.636 -0.844
215 HA LYS 30 HA LYS 30 2.331 19.957 -3.141
216 HB2 LYS 30 HB2 LYS 30 0.803 21.056 -1.498
217 HB3 LYS 30 HB3 LYS 30 2.073 20.985 -0.259
218 HG2 LYS 30 HG2 LYS 30 1.909 23.241 -1.238
219 HG3 LYS 30 HG3 LYS 30 3.515 22.529 -1.535
220 HD2 LYS 30 HD2 LYS 30 2.614 23.820 -3.482
221 HD3 LYS 30 HD3 LYS 30 2.976 22.136 -3.911
222 HE2 LYS 30 HE2 LYS 30 0.559 21.559 -3.866
223 HE3 LYS 30 HE3 LYS 30 0.146 23.157 -3.185
224 HZ1 LYS 30 HZ1 LYS 30 1.410 22.709 -5.913
225 HZ2 LYS 30 HZ2 LYS 30 0.880 24.236 -5.259
226 HZ3 LYS 30 HZ3 LYS 30 -0.282 22.997 -5.629
227 H ILE 31 H ILE 31 3.851 19.117 0.095
228 HA ILE 31 HA ILE 31 6.275 20.392 -0.639
229 HB ILE 31 HB ILE 31 5.619 19.867 1.731
230 HG12 ILE 31 HG12 ILE 31 7.951 19.221 2.556
231 HG13 ILE 31 HG13 ILE 31 8.443 18.992 0.861
232 HG21 ILE 31 HG21 ILE 31 6.053 17.653 2.719
233 HG22 ILE 31 HG22 ILE 31 4.978 17.444 1.324
234 HG23 ILE 31 HG23 ILE 31 6.710 17.042 1.180
235 HD11 ILE 31 HD11 ILE 31 9.092 21.237 1.859
236 HD12 ILE 31 HD12 ILE 31 8.039 21.458 0.444
237 HD13 ILE 31 HD13 ILE 31 7.367 21.627 2.094
238 H THR 32 H THR 32 5.240 16.894 -1.038
239 HA THR 32 HA THR 32 7.883 16.425 -2.391
240 HB THR 32 HB THR 32 5.931 14.396 -1.204
241 HG1 THR 32 HG1 THR 32 7.695 14.298 0.382
242 HG21 THR 32 HG21 THR 32 8.735 14.041 -2.431
243 HG22 THR 32 HG22 THR 32 7.205 13.471 -3.170
244 HG23 THR 32 HG23 THR 32 7.770 12.765 -1.630
245 H ASP 33 H ASP 33 4.344 15.424 -2.741
246 HA ASP 33 HA ASP 33 3.098 15.170 -4.652
247 HB2 ASP 33 HB2 ASP 33 4.321 17.470 -5.294
248 HB3 ASP 33 HB3 ASP 33 5.236 16.453 -6.427
Start of MODEL 5
1 H1 HIS 1 H1 HIS 1 -4.981 -14.691 -14.158
2 HA HIS 1 HA HIS 1 -2.918 -15.527 -15.258
3 HB2 HIS 1 HB2 HIS 1 -2.024 -12.639 -14.681
4 HB3 HIS 1 HB3 HIS 1 -0.912 -13.976 -15.087
5 HD1 HIS 1 HD1 HIS 1 -0.206 -12.995 -17.280
6 HD2 HIS 1 HD2 HIS 1 -4.361 -13.604 -16.989
7 HE1 HIS 1 HE1 HIS 1 -1.115 -12.712 -19.620
8 H ALA 2 H ALA 2 -2.373 -17.048 -13.562
9 HA ALA 2 HA ALA 2 -1.692 -17.802 -11.482
10 HB1 ALA 2 HB1 ALA 2 0.195 -16.576 -10.482
11 HB2 ALA 2 HB2 ALA 2 0.375 -16.663 -12.261
12 HB3 ALA 2 HB3 ALA 2 -0.141 -15.139 -11.488
13 H ASP 3 H ASP 3 -4.124 -17.456 -10.957
14 HA ASP 3 HA ASP 3 -4.353 -15.443 -8.716
15 HB2 ASP 3 HB2 ASP 3 -6.520 -16.756 -10.474
16 HB3 ASP 3 HB3 ASP 3 -6.818 -15.633 -9.122
17 H GLY 4 H GLY 4 -5.852 -16.253 -6.893
18 HA2 GLY 4 HA2 GLY 4 -6.474 -19.017 -6.673
19 HA3 GLY 4 HA3 GLY 4 -4.900 -18.738 -5.870
20 H SER 5 H SER 5 -7.121 -19.597 -4.282
21 HA SER 5 HA SER 5 -8.633 -17.337 -3.349
22 HB2 SER 5 HB2 SER 5 -9.531 -19.580 -3.019
23 HB3 SER 5 HB3 SER 5 -8.168 -20.048 -1.979
24 HG SER 5 HG SER 5 -10.019 -17.974 -1.305
25 H PHE 6 H PHE 6 -6.013 -19.188 -1.533
26 HA PHE 6 HA PHE 6 -5.553 -16.701 0.034
27 HB2 PHE 6 HB2 PHE 6 -4.247 -18.052 1.557
28 HB3 PHE 6 HB3 PHE 6 -5.813 -18.834 1.267
29 HD1 PHE 6 HD1 PHE 6 -2.164 -18.912 0.413
30 HD2 PHE 6 HD2 PHE 6 -5.886 -21.069 0.236
31 HE1 PHE 6 HE1 PHE 6 -0.967 -20.920 -0.385
32 HE2 PHE 6 HE2 PHE 6 -4.681 -23.075 -0.551
33 HZ PHE 6 HZ PHE 6 -2.221 -23.006 -0.874
34 H SER 7 H SER 7 -3.853 -18.777 -2.479
35 HA SER 7 HA SER 7 -1.313 -17.657 -2.115
36 HB2 SER 7 HB2 SER 7 -2.715 -18.410 -4.750
37 HB3 SER 7 HB3 SER 7 -0.976 -18.036 -4.623
38 HG SER 7 HG SER 7 -0.851 -19.895 -3.141
39 H ASP 8 H ASP 8 -4.267 -16.168 -3.706
40 HA ASP 8 HA ASP 8 -2.879 -13.927 -4.764
41 HB2 ASP 8 HB2 ASP 8 -5.294 -14.266 -5.229
42 HB3 ASP 8 HB3 ASP 8 -5.692 -14.016 -3.506
43 H GLU 9 H GLU 9 -4.173 -14.573 -1.396
44 HA GLU 9 HA GLU 9 -3.341 -11.989 -0.458
45 HB2 GLU 9 HB2 GLU 9 -3.957 -14.559 1.125
46 HB3 GLU 9 HB3 GLU 9 -3.630 -12.977 1.871
47 HG2 GLU 9 HG2 GLU 9 -5.583 -11.968 0.702
48 HG3 GLU 9 HG3 GLU 9 -5.956 -13.535 -0.073
49 H MET 10 H MET 10 -1.238 -14.582 -1.406
50 HA MET 10 HA MET 10 0.701 -14.520 0.584
51 HB2 MET 10 HB2 MET 10 0.845 -15.823 -1.629
52 HB3 MET 10 HB3 MET 10 1.209 -14.285 -2.436
53 HG2 MET 10 HG2 MET 10 3.436 -14.848 -2.065
54 HG3 MET 10 HG3 MET 10 3.183 -14.377 -0.370
55 HE1 MET 10 HE1 MET 10 1.214 -16.980 0.657
56 HE2 MET 10 HE2 MET 10 2.568 -17.968 1.284
57 HE3 MET 10 HE3 MET 10 2.559 -16.197 1.561
58 H ASN 11 H ASN 11 0.013 -12.004 -1.996
59 HA ASN 11 HA ASN 11 2.260 -10.363 -1.006
60 HB2 ASN 11 HB2 ASN 11 0.134 -9.764 -3.128
61 HB3 ASN 11 HB3 ASN 11 1.618 -8.819 -2.824
62 HD21 ASN 11 HD21 ASN 11 1.481 -9.569 -5.378
63 HD22 ASN 11 HD22 ASN 11 2.478 -10.940 -5.695
64 H THR 12 H THR 12 -0.673 -10.846 0.549
65 HA THR 12 HA THR 12 -1.597 -8.206 0.912
66 HB THR 12 HB THR 12 -1.515 -10.524 2.936
67 HG1 THR 12 HG1 THR 12 -3.543 -9.828 1.029
68 HG21 THR 12 HG21 THR 12 -2.099 -8.381 4.108
69 HG22 THR 12 HG22 THR 12 -3.538 -9.425 3.945
70 HG23 THR 12 HG23 THR 12 -3.329 -8.027 2.853
71 H ILE 13 H ILE 13 1.328 -9.885 2.210
72 HA ILE 13 HA ILE 13 1.949 -8.318 4.390
73 HB ILE 13 HB ILE 13 3.939 -8.958 2.118
74 HG12 ILE 13 HG12 ILE 13 3.147 -11.137 2.816
75 HG13 ILE 13 HG13 ILE 13 4.719 -10.872 3.554
76 HG21 ILE 13 HG21 ILE 13 5.707 -8.711 3.907
77 HG22 ILE 13 HG22 ILE 13 4.858 -7.196 3.567
78 HG23 ILE 13 HG23 ILE 13 4.454 -8.122 5.033
79 HD11 ILE 13 HD11 ILE 13 1.981 -10.647 4.971
80 HD12 ILE 13 HD12 ILE 13 3.208 -11.917 5.181
81 HD13 ILE 13 HD13 ILE 13 3.547 -10.263 5.751
82 H LEU 14 H LEU 14 2.406 -7.402 0.891
83 HA LEU 14 HA LEU 14 3.489 -4.829 1.596
84 HB2 LEU 14 HB2 LEU 14 2.156 -5.820 -0.975
85 HB3 LEU 14 HB3 LEU 14 2.940 -4.234 -0.846
86 HG LEU 14 HG LEU 14 4.519 -6.793 -0.167
87 HD11 LEU 14 HD11 LEU 14 4.215 -5.535 -2.958
88 HD12 LEU 14 HD12 LEU 14 3.624 -7.148 -2.459
89 HD13 LEU 14 HD13 LEU 14 5.374 -6.825 -2.520
90 HD21 LEU 14 HD21 LEU 14 6.491 -5.391 -0.766
91 HD22 LEU 14 HD22 LEU 14 5.550 -4.584 0.503
92 HD23 LEU 14 HD23 LEU 14 5.421 -4.025 -1.185
93 H ASP 15 H ASP 15 0.092 -5.998 0.850
94 HA ASP 15 HA ASP 15 -1.124 -3.587 0.474
95 HB2 ASP 15 HB2 ASP 15 -2.346 -5.784 0.499
96 HB3 ASP 15 HB3 ASP 15 -2.286 -5.782 2.283
97 H ASN 16 H ASN 16 -0.098 -4.857 3.767
98 HA ASN 16 HA ASN 16 -1.551 -2.799 5.165
99 HB2 ASN 16 HB2 ASN 16 0.710 -4.668 6.026
100 HB3 ASN 16 HB3 ASN 16 0.338 -3.226 6.987
101 HD21 ASN 16 HD21 ASN 16 -1.834 -5.695 5.264
102 HD22 ASN 16 HD22 ASN 16 -2.751 -5.988 6.691
103 H LEU 17 H LEU 17 2.095 -2.992 4.813
104 HA LEU 17 HA LEU 17 2.407 -0.287 5.502
105 HB2 LEU 17 HB2 LEU 17 4.710 -0.423 4.634
106 HB3 LEU 17 HB3 LEU 17 4.244 -1.882 5.522
107 HG LEU 17 HG LEU 17 3.640 -2.798 3.027
108 HD11 LEU 17 HD11 LEU 17 5.909 -0.808 2.423
109 HD12 LEU 17 HD12 LEU 17 4.241 -0.593 1.847
110 HD13 LEU 17 HD13 LEU 17 5.193 -1.982 1.286
111 HD21 LEU 17 HD21 LEU 17 5.256 -3.902 4.546
112 HD22 LEU 17 HD22 LEU 17 6.487 -2.668 4.148
113 HD23 LEU 17 HD23 LEU 17 5.920 -3.815 2.900
114 H ALA 18 H ALA 18 1.542 -1.658 2.297
115 HA ALA 18 HA ALA 18 2.226 0.735 0.856
116 HB1 ALA 18 HB1 ALA 18 0.237 -1.487 0.093
117 HB2 ALA 18 HB2 ALA 18 0.923 -0.253 -0.998
118 HB3 ALA 18 HB3 ALA 18 1.992 -1.485 -0.274
119 H ALA 19 H ALA 19 -0.848 -0.504 2.418
120 HA ALA 19 HA ALA 19 -2.592 1.436 1.420
121 HB1 ALA 19 HB1 ALA 19 -3.373 -0.388 2.956
122 HB2 ALA 19 HB2 ALA 19 -2.497 0.365 4.322
123 HB3 ALA 19 HB3 ALA 19 -3.878 1.213 3.570
124 H ARG 20 H ARG 20 -0.229 1.673 4.201
125 HA ARG 20 HA ARG 20 -1.041 4.440 4.714
126 HB2 ARG 20 HB2 ARG 20 1.447 2.973 5.749
127 HB3 ARG 20 HB3 ARG 20 0.757 4.500 6.352
128 HG2 ARG 20 HG2 ARG 20 -0.446 1.662 6.620
129 HG3 ARG 20 HG3 ARG 20 0.104 2.767 7.898
130 HD2 ARG 20 HD2 ARG 20 -1.769 4.369 7.190
131 HD3 ARG 20 HD3 ARG 20 -2.366 3.063 6.094
132 HE ARG 20 HE ARG 20 -2.095 1.980 8.715
133 HH11 ARG 20 HH12 ARG 20 -4.120 4.360 6.908
134 HH12 ARG 20 HH11 ARG 20 -5.505 4.074 7.954
135 HH21 ARG 20 HH22 ARG 20 -3.923 1.699 9.998
136 HH22 ARG 20 HH21 ARG 20 -5.402 2.605 9.666
137 H ASP 21 H ASP 21 1.577 2.842 2.753
138 HA ASP 21 HA ASP 21 3.183 5.083 2.404
139 HB2 ASP 21 HB2 ASP 21 3.649 2.893 1.260
140 HB3 ASP 21 HB3 ASP 21 2.274 3.174 0.155
141 H PHE 22 H PHE 22 -0.063 4.360 0.862
142 HA PHE 22 HA PHE 22 0.187 6.806 -0.730
143 HB2 PHE 22 HB2 PHE 22 -2.429 5.293 -0.527
144 HB3 PHE 22 HB3 PHE 22 -1.751 6.175 -1.903
145 HD1 PHE 22 HD1 PHE 22 0.850 5.155 -2.457
146 HD2 PHE 22 HD2 PHE 22 -2.490 2.953 -0.859
147 HE1 PHE 22 HE1 PHE 22 1.789 3.056 -3.364
148 HE2 PHE 22 HE2 PHE 22 -1.568 0.871 -1.806
149 HZ PHE 22 HZ PHE 22 0.528 0.931 -3.142
150 H ILE 23 H ILE 23 -2.068 5.570 1.905
151 HA ILE 23 HA ILE 23 -3.561 7.963 2.033
152 HB ILE 23 HB ILE 23 -2.959 5.778 4.082
153 HG12 ILE 23 HG12 ILE 23 -4.587 5.424 2.132
154 HG13 ILE 23 HG13 ILE 23 -5.197 5.044 3.757
155 HG21 ILE 23 HG21 ILE 23 -4.548 8.306 4.720
156 HG22 ILE 23 HG22 ILE 23 -4.651 6.785 5.662
157 HG23 ILE 23 HG23 ILE 23 -3.113 7.670 5.570
158 HD11 ILE 23 HD11 ILE 23 -6.898 6.243 2.351
159 HD12 ILE 23 HD12 ILE 23 -6.523 7.135 3.840
160 HD13 ILE 23 HD13 ILE 23 -5.859 7.685 2.277
161 H ASN 24 H ASN 24 -0.497 7.104 3.795
162 HA ASN 24 HA ASN 24 -0.587 9.771 5.033
163 HB2 ASN 24 HB2 ASN 24 0.537 7.322 5.896
164 HB3 ASN 24 HB3 ASN 24 1.954 8.223 5.332
165 HD21 ASN 24 HD21 ASN 24 2.678 8.224 7.664
166 HD22 ASN 24 HD22 ASN 24 1.862 9.213 8.816
167 H TRP 25 H TRP 25 0.189 8.960 1.887
168 HA TRP 25 HA TRP 25 2.403 10.908 1.707
169 HB2 TRP 25 HB2 TRP 25 2.827 9.576 -0.119
170 HB3 TRP 25 HB3 TRP 25 1.179 8.957 -0.209
171 HD1 TRP 25 HD1 TRP 25 2.972 12.284 -1.150
172 HE1 TRP 25 HE1 TRP 25 1.875 13.174 -3.236
173 HE3 TRP 25 HE3 TRP 25 -0.826 8.778 -1.720
174 HZ2 TRP 25 HZ2 TRP 25 -0.193 12.578 -4.931
175 HZ3 TRP 25 HZ3 TRP 25 -2.313 9.012 -3.701
176 HH2 TRP 25 HH2 TRP 25 -2.004 10.883 -5.292
177 H LEU 26 H LEU 26 -1.151 10.663 0.901
178 HA LEU 26 HA LEU 26 -1.461 13.051 -0.435
179 HB2 LEU 26 HB2 LEU 26 -3.310 11.999 1.763
180 HB3 LEU 26 HB3 LEU 26 -3.745 13.283 0.612
181 HG LEU 26 HG LEU 26 -3.149 10.349 -0.180
182 HD11 LEU 26 HD11 LEU 26 -5.808 11.884 -0.066
183 HD12 LEU 26 HD12 LEU 26 -5.295 10.621 1.089
184 HD13 LEU 26 HD13 LEU 26 -5.581 10.201 -0.618
185 HD21 LEU 26 HD21 LEU 26 -4.092 12.726 -1.897
186 HD22 LEU 26 HD22 LEU 26 -4.051 11.022 -2.427
187 HD23 LEU 26 HD23 LEU 26 -2.538 11.867 -2.071
188 H ILE 27 H ILE 27 -1.185 12.642 3.159
189 HA ILE 27 HA ILE 27 -1.629 15.440 3.629
190 HB ILE 27 HB ILE 27 -0.885 15.114 5.918
191 HG12 ILE 27 HG12 ILE 27 -0.314 12.492 6.495
192 HG13 ILE 27 HG13 ILE 27 0.388 12.562 4.876
193 HG21 ILE 27 HG21 ILE 27 -2.610 12.723 5.037
194 HG22 ILE 27 HG22 ILE 27 -2.569 13.495 6.642
195 HG23 ILE 27 HG23 ILE 27 -3.191 14.401 5.242
196 HD11 ILE 27 HD11 ILE 27 1.100 14.299 7.319
197 HD12 ILE 27 HD12 ILE 27 2.127 13.077 6.519
198 HD13 ILE 27 HD13 ILE 27 1.761 14.621 5.700
199 H GLN 28 H GLN 28 1.420 13.639 2.862
200 HA GLN 28 HA GLN 28 2.901 16.199 3.372
201 HB2 GLN 28 HB2 GLN 28 4.986 14.855 3.302
202 HB3 GLN 28 HB3 GLN 28 3.912 14.333 4.605
203 HG2 GLN 28 HG2 GLN 28 3.320 12.321 3.423
204 HG3 GLN 28 HG3 GLN 28 3.904 12.944 1.853
205 HE21 GLN 28 HE21 GLN 28 5.092 10.804 1.750
206 HE22 GLN 28 HE22 GLN 28 6.579 10.676 2.614
207 H THR 29 H THR 29 1.211 16.083 0.995
208 HA THR 29 HA THR 29 3.033 15.336 -1.205
209 HB THR 29 HB THR 29 0.260 16.627 -1.192
210 HG1 THR 29 HG1 THR 29 0.514 14.290 -0.710
211 HG21 THR 29 HG21 THR 29 2.055 15.797 -3.564
212 HG22 THR 29 HG22 THR 29 1.503 17.460 -3.202
213 HG23 THR 29 HG23 THR 29 0.319 16.206 -3.670
214 H LYS 30 H LYS 30 1.494 18.472 -0.050
215 HA LYS 30 HA LYS 30 3.365 19.918 -1.757
216 HB2 LYS 30 HB2 LYS 30 1.016 20.633 -1.488
217 HB3 LYS 30 HB3 LYS 30 1.274 20.901 0.251
218 HG2 LYS 30 HG2 LYS 30 1.275 23.031 -1.031
219 HG3 LYS 30 HG3 LYS 30 2.792 22.768 -0.157
220 HD2 LYS 30 HD2 LYS 30 3.158 23.746 -2.414
221 HD3 LYS 30 HD3 LYS 30 3.995 22.199 -2.232
222 HE2 LYS 30 HE2 LYS 30 2.998 22.409 -4.465
223 HE3 LYS 30 HE3 LYS 30 2.245 21.051 -3.610
224 HZ1 LYS 30 HZ1 LYS 30 1.024 23.831 -3.837
225 HZ2 LYS 30 HZ2 LYS 30 0.243 22.410 -3.183
226 HZ3 LYS 30 HZ3 LYS 30 0.634 22.488 -4.864
227 H ILE 31 H ILE 31 3.397 18.878 1.706
228 HA ILE 31 HA ILE 31 4.974 21.002 2.614
229 HB ILE 31 HB ILE 31 3.977 19.135 4.079
230 HG12 ILE 31 HG12 ILE 31 6.012 19.103 5.722
231 HG13 ILE 31 HG13 ILE 31 6.864 20.096 4.522
232 HG21 ILE 31 HG21 ILE 31 5.249 17.108 4.506
233 HG22 ILE 31 HG22 ILE 31 4.991 17.211 2.745
234 HG23 ILE 31 HG23 ILE 31 6.580 17.633 3.445
235 HD11 ILE 31 HD11 ILE 31 5.015 21.867 4.792
236 HD12 ILE 31 HD12 ILE 31 4.210 20.785 5.963
237 HD13 ILE 31 HD13 ILE 31 5.814 21.473 6.332
238 H THR 32 H THR 32 5.972 18.005 0.783
239 HA THR 32 HA THR 32 8.786 19.016 0.853
240 HB THR 32 HB THR 32 7.704 16.281 0.003
241 HG1 THR 32 HG1 THR 32 8.584 15.717 2.130
242 HG21 THR 32 HG21 THR 32 10.127 15.615 0.112
243 HG22 THR 32 HG22 THR 32 10.585 17.290 0.532
244 HG23 THR 32 HG23 THR 32 9.918 16.920 -1.088
245 H ASP 33 H ASP 33 6.316 17.608 -1.532
246 HA ASP 33 HA ASP 33 6.199 17.883 -3.815
247 HB2 ASP 33 HB2 ASP 33 5.521 20.171 -3.037
248 HB3 ASP 33 HB3 ASP 33 7.211 20.716 -3.146
Start of MODEL 6
1 H1 HIS 1 H1 HIS 1 4.479 -18.162 -8.908
2 HA HIS 1 HA HIS 1 2.906 -15.852 -9.928
3 HB2 HIS 1 HB2 HIS 1 2.629 -18.832 -10.686
4 HB3 HIS 1 HB3 HIS 1 1.443 -17.567 -11.097
5 HD1 HIS 1 HD1 HIS 1 1.825 -17.837 -13.571
6 HD2 HIS 1 HD2 HIS 1 5.304 -16.759 -11.455
7 HE1 HIS 1 HE1 HIS 1 3.516 -17.132 -15.310
8 H ALA 2 H ALA 2 0.541 -15.855 -9.205
9 HA ALA 2 HA ALA 2 -0.172 -17.646 -6.991
10 HB1 ALA 2 HB1 ALA 2 0.768 -14.750 -6.449
11 HB2 ALA 2 HB2 ALA 2 -0.076 -15.793 -5.268
12 HB3 ALA 2 HB3 ALA 2 1.548 -16.239 -5.848
13 H ASP 3 H ASP 3 -2.042 -17.764 -8.589
14 HA ASP 3 HA ASP 3 -3.916 -15.432 -8.143
15 HB2 ASP 3 HB2 ASP 3 -3.567 -17.161 -10.669
16 HB3 ASP 3 HB3 ASP 3 -4.747 -15.841 -10.440
17 H GLY 4 H GLY 4 -4.053 -17.055 -6.156
18 HA2 GLY 4 HA2 GLY 4 -6.325 -18.938 -6.803
19 HA3 GLY 4 HA3 GLY 4 -4.985 -19.384 -5.712
20 H SER 5 H SER 5 -7.158 -19.615 -4.291
21 HA SER 5 HA SER 5 -8.473 -17.179 -3.568
22 HB2 SER 5 HB2 SER 5 -9.605 -19.294 -3.196
23 HB3 SER 5 HB3 SER 5 -8.362 -19.839 -2.040
24 HG SER 5 HG SER 5 -10.200 -18.804 -0.933
25 H PHE 6 H PHE 6 -6.209 -19.145 -1.418
26 HA PHE 6 HA PHE 6 -5.658 -16.657 0.070
27 HB2 PHE 6 HB2 PHE 6 -4.367 -18.017 1.603
28 HB3 PHE 6 HB3 PHE 6 -5.915 -18.830 1.290
29 HD1 PHE 6 HD1 PHE 6 -2.246 -18.817 0.503
30 HD2 PHE 6 HD2 PHE 6 -5.912 -21.060 0.227
31 HE1 PHE 6 HE1 PHE 6 -0.988 -20.777 -0.317
32 HE2 PHE 6 HE2 PHE 6 -4.646 -23.019 -0.584
33 HZ PHE 6 HZ PHE 6 -2.183 -22.884 -0.868
34 H SER 7 H SER 7 -4.034 -18.758 -2.438
35 HA SER 7 HA SER 7 -1.426 -17.808 -2.019
36 HB2 SER 7 HB2 SER 7 -2.784 -18.558 -4.669
37 HB3 SER 7 HB3 SER 7 -1.047 -18.185 -4.500
38 HG SER 7 HG SER 7 -2.318 -20.347 -3.118
39 H ASP 8 H ASP 8 -4.225 -16.168 -3.745
40 HA ASP 8 HA ASP 8 -2.585 -14.077 -4.768
41 HB2 ASP 8 HB2 ASP 8 -4.989 -14.418 -5.457
42 HB3 ASP 8 HB3 ASP 8 -5.522 -13.838 -3.854
43 H GLU 9 H GLU 9 -4.179 -14.532 -1.509
44 HA GLU 9 HA GLU 9 -3.368 -11.940 -0.565
45 HB2 GLU 9 HB2 GLU 9 -4.042 -14.499 1.005
46 HB3 GLU 9 HB3 GLU 9 -3.720 -12.933 1.776
47 HG2 GLU 9 HG2 GLU 9 -5.632 -11.872 0.620
48 HG3 GLU 9 HG3 GLU 9 -5.989 -13.379 -0.263
49 H MET 10 H MET 10 -1.272 -14.616 -1.358
50 HA MET 10 HA MET 10 0.636 -14.454 0.659
51 HB2 MET 10 HB2 MET 10 0.787 -15.889 -1.424
52 HB3 MET 10 HB3 MET 10 1.166 -14.441 -2.376
53 HG2 MET 10 HG2 MET 10 3.414 -14.674 -1.834
54 HG3 MET 10 HG3 MET 10 3.059 -14.583 -0.094
55 HE1 MET 10 HE1 MET 10 2.907 -16.655 1.532
56 HE2 MET 10 HE2 MET 10 1.362 -17.048 0.708
57 HE3 MET 10 HE3 MET 10 2.598 -18.321 0.949
58 H ASN 11 H ASN 11 -0.144 -12.013 -1.932
59 HA ASN 11 HA ASN 11 2.211 -10.406 -1.231
60 HB2 ASN 11 HB2 ASN 11 -0.167 -9.616 -2.990
61 HB3 ASN 11 HB3 ASN 11 1.444 -8.868 -2.963
62 HD21 ASN 11 HD21 ASN 11 -0.462 -11.547 -4.368
63 HD22 ASN 11 HD22 ASN 11 0.865 -12.268 -5.194
64 H THR 12 H THR 12 -0.770 -10.783 0.461
65 HA THR 12 HA THR 12 -1.553 -8.153 0.917
66 HB THR 12 HB THR 12 -1.488 -10.481 2.924
67 HG1 THR 12 HG1 THR 12 -3.504 -9.781 1.003
68 HG21 THR 12 HG21 THR 12 -3.306 -7.987 2.836
69 HG22 THR 12 HG22 THR 12 -2.082 -8.338 4.097
70 HG23 THR 12 HG23 THR 12 -3.516 -9.384 3.927
71 H ILE 13 H ILE 13 1.373 -9.850 2.194
72 HA ILE 13 HA ILE 13 1.974 -8.292 4.398
73 HB ILE 13 HB ILE 13 3.976 -8.928 2.135
74 HG12 ILE 13 HG12 ILE 13 3.187 -11.104 2.841
75 HG13 ILE 13 HG13 ILE 13 4.754 -10.835 3.592
76 HG21 ILE 13 HG21 ILE 13 4.483 -8.077 5.047
77 HG22 ILE 13 HG22 ILE 13 5.742 -8.668 3.927
78 HG23 ILE 13 HG23 ILE 13 4.890 -7.157 3.577
79 HD11 ILE 13 HD11 ILE 13 3.238 -11.867 5.218
80 HD12 ILE 13 HD12 ILE 13 3.551 -10.202 5.773
81 HD13 ILE 13 HD13 ILE 13 1.999 -10.615 4.978
82 H LEU 14 H LEU 14 2.426 -7.363 0.902
83 HA LEU 14 HA LEU 14 3.510 -4.793 1.635
84 HB2 LEU 14 HB2 LEU 14 2.224 -5.764 -0.964
85 HB3 LEU 14 HB3 LEU 14 3.034 -4.192 -0.813
86 HG LEU 14 HG LEU 14 4.556 -6.780 -0.108
87 HD11 LEU 14 HD11 LEU 14 3.715 -7.118 -2.425
88 HD12 LEU 14 HD12 LEU 14 5.472 -6.815 -2.433
89 HD13 LEU 14 HD13 LEU 14 4.340 -5.508 -2.895
90 HD21 LEU 14 HD21 LEU 14 6.568 -5.420 -0.611
91 HD22 LEU 14 HD22 LEU 14 5.587 -4.554 0.585
92 HD23 LEU 14 HD23 LEU 14 5.555 -4.042 -1.121
93 H ASP 15 H ASP 15 0.123 -5.966 0.863
94 HA ASP 15 HA ASP 15 -1.087 -3.545 0.491
95 HB2 ASP 15 HB2 ASP 15 -2.335 -5.722 0.480
96 HB3 ASP 15 HB3 ASP 15 -2.236 -5.774 2.264
97 H ASN 16 H ASN 16 -0.055 -4.830 3.776
98 HA ASN 16 HA ASN 16 -1.516 -2.777 5.181
99 HB2 ASN 16 HB2 ASN 16 0.742 -4.653 6.040
100 HB3 ASN 16 HB3 ASN 16 0.376 -3.209 7.002
101 HD21 ASN 16 HD21 ASN 16 -1.808 -5.664 5.273
102 HD22 ASN 16 HD22 ASN 16 -2.728 -5.956 6.700
103 H LEU 17 H LEU 17 2.132 -2.974 4.812
104 HA LEU 17 HA LEU 17 2.441 -0.270 5.522
105 HB2 LEU 17 HB2 LEU 17 4.743 -0.395 4.663
106 HB3 LEU 17 HB3 LEU 17 4.273 -1.864 5.532
107 HG LEU 17 HG LEU 17 3.686 -2.746 3.018
108 HD11 LEU 17 HD11 LEU 17 4.287 -0.513 1.885
109 HD12 LEU 17 HD12 LEU 17 5.225 -1.898 1.289
110 HD13 LEU 17 HD13 LEU 17 5.957 -0.751 2.446
111 HD21 LEU 17 HD21 LEU 17 5.299 -3.868 4.518
112 HD22 LEU 17 HD22 LEU 17 6.527 -2.617 4.161
113 HD23 LEU 17 HD23 LEU 17 5.987 -3.742 2.884
114 H ALA 18 H ALA 18 1.583 -1.637 2.311
115 HA ALA 18 HA ALA 18 2.269 0.762 0.881
116 HB1 ALA 18 HB1 ALA 18 0.311 -1.473 0.083
117 HB2 ALA 18 HB2 ALA 18 1.008 -0.232 -0.996
118 HB3 ALA 18 HB3 ALA 18 2.074 -1.459 -0.253
119 H ALA 19 H ALA 19 -0.802 -0.504 2.426
120 HA ALA 19 HA ALA 19 -2.567 1.400 1.402
121 HB1 ALA 19 HB1 ALA 19 -3.340 -0.399 2.969
122 HB2 ALA 19 HB2 ALA 19 -2.459 0.372 4.322
123 HB3 ALA 19 HB3 ALA 19 -3.845 1.210 3.566
124 H ARG 20 H ARG 20 -0.225 1.706 4.206
125 HA ARG 20 HA ARG 20 -1.044 4.478 4.609
126 HB2 ARG 20 HB2 ARG 20 1.415 3.017 5.733
127 HB3 ARG 20 HB3 ARG 20 0.802 4.614 6.234
128 HG2 ARG 20 HG2 ARG 20 -0.587 1.887 6.664
129 HG3 ARG 20 HG3 ARG 20 0.082 2.983 7.881
130 HD2 ARG 20 HD2 ARG 20 -1.781 4.734 6.873
131 HD3 ARG 20 HD3 ARG 20 -2.464 3.259 6.212
132 HE ARG 20 HE ARG 20 -3.192 2.628 8.314
133 HH11 ARG 20 HH12 ARG 20 -0.643 5.174 8.725
134 HH12 ARG 20 HH11 ARG 20 -1.015 5.348 10.431
135 HH21 ARG 20 HH22 ARG 20 -3.550 2.929 10.510
136 HH22 ARG 20 HH21 ARG 20 -2.604 4.104 11.426
137 H ASP 21 H ASP 21 1.642 2.853 2.758
138 HA ASP 21 HA ASP 21 3.231 5.076 2.367
139 HB2 ASP 21 HB2 ASP 21 3.714 2.902 1.218
140 HB3 ASP 21 HB3 ASP 21 2.300 3.146 0.150
141 H PHE 22 H PHE 22 -0.020 4.377 0.841
142 HA PHE 22 HA PHE 22 0.239 6.827 -0.750
143 HB2 PHE 22 HB2 PHE 22 -2.381 5.332 -0.590
144 HB3 PHE 22 HB3 PHE 22 -1.659 6.191 -1.955
145 HD1 PHE 22 HD1 PHE 22 0.949 5.132 -2.426
146 HD2 PHE 22 HD2 PHE 22 -2.462 2.987 -0.901
147 HE1 PHE 22 HE1 PHE 22 1.865 3.019 -3.324
148 HE2 PHE 22 HE2 PHE 22 -1.555 0.889 -1.830
149 HZ PHE 22 HZ PHE 22 0.561 0.917 -3.136
150 H ILE 23 H ILE 23 -2.083 5.552 1.810
151 HA ILE 23 HA ILE 23 -3.582 7.922 1.956
152 HB ILE 23 HB ILE 23 -2.979 5.733 3.997
153 HG12 ILE 23 HG12 ILE 23 -4.557 5.347 2.017
154 HG13 ILE 23 HG13 ILE 23 -5.189 4.947 3.628
155 HG21 ILE 23 HG21 ILE 23 -4.639 8.218 4.622
156 HG22 ILE 23 HG22 ILE 23 -4.720 6.688 5.552
157 HG23 ILE 23 HG23 ILE 23 -3.203 7.613 5.492
158 HD11 ILE 23 HD11 ILE 23 -6.565 7.008 3.690
159 HD12 ILE 23 HD12 ILE 23 -5.885 7.572 2.139
160 HD13 ILE 23 HD13 ILE 23 -6.893 6.107 2.195
161 H ASN 24 H ASN 24 -0.601 7.065 3.848
162 HA ASN 24 HA ASN 24 -0.743 9.558 5.242
163 HB2 ASN 24 HB2 ASN 24 0.850 7.254 5.633
164 HB3 ASN 24 HB3 ASN 24 2.023 8.466 5.103
165 HD21 ASN 24 HD21 ASN 24 2.897 9.411 7.112
166 HD22 ASN 24 HD22 ASN 24 1.941 9.654 8.525
167 H TRP 25 H TRP 25 0.839 8.566 2.138
168 HA TRP 25 HA TRP 25 2.433 10.815 1.776
169 HB2 TRP 25 HB2 TRP 25 2.818 9.465 -0.052
170 HB3 TRP 25 HB3 TRP 25 1.136 8.931 -0.153
171 HD1 TRP 25 HD1 TRP 25 3.039 12.206 -1.051
172 HE1 TRP 25 HE1 TRP 25 1.981 13.131 -3.147
173 HE3 TRP 25 HE3 TRP 25 -0.845 8.798 -1.667
174 HZ2 TRP 25 HZ2 TRP 25 -0.075 12.577 -4.873
175 HZ3 TRP 25 HZ3 TRP 25 -2.285 9.054 -3.677
176 HH2 TRP 25 HH2 TRP 25 -1.910 10.916 -5.266
177 H LEU 26 H LEU 26 -1.136 10.550 1.039
178 HA LEU 26 HA LEU 26 -1.354 12.941 -0.351
179 HB2 LEU 26 HB2 LEU 26 -3.333 11.856 1.729
180 HB3 LEU 26 HB3 LEU 26 -3.723 13.178 0.603
181 HG LEU 26 HG LEU 26 -3.058 10.295 -0.290
182 HD11 LEU 26 HD11 LEU 26 -5.751 11.771 -0.141
183 HD12 LEU 26 HD12 LEU 26 -5.233 10.454 0.951
184 HD13 LEU 26 HD13 LEU 26 -5.488 10.124 -0.781
185 HD21 LEU 26 HD21 LEU 26 -3.945 11.068 -2.519
186 HD22 LEU 26 HD22 LEU 26 -2.467 11.949 -2.091
187 HD23 LEU 26 HD23 LEU 26 -4.055 12.738 -1.900
188 H ILE 27 H ILE 27 -0.889 12.652 3.232
189 HA ILE 27 HA ILE 27 -1.735 15.428 3.604
190 HB ILE 27 HB ILE 27 -0.116 13.668 5.522
191 HG12 ILE 27 HG12 ILE 27 -2.234 13.719 6.917
192 HG13 ILE 27 HG13 ILE 27 -3.111 14.475 5.562
193 HG21 ILE 27 HG21 ILE 27 -0.620 15.481 7.207
194 HG22 ILE 27 HG22 ILE 27 0.356 16.116 5.871
195 HG23 ILE 27 HG23 ILE 27 -1.401 16.443 5.920
196 HD11 ILE 27 HD11 ILE 27 -3.424 11.920 5.904
197 HD12 ILE 27 HD12 ILE 27 -2.952 12.378 4.258
198 HD13 ILE 27 HD13 ILE 27 -1.725 11.727 5.401
199 H GLN 28 H GLN 28 1.431 13.584 3.409
200 HA GLN 28 HA GLN 28 2.909 16.104 3.621
201 HB2 GLN 28 HB2 GLN 28 4.903 14.746 3.527
202 HB3 GLN 28 HB3 GLN 28 3.786 14.119 4.741
203 HG2 GLN 28 HG2 GLN 28 3.350 12.145 3.517
204 HG3 GLN 28 HG3 GLN 28 3.674 12.900 1.933
205 HE21 GLN 28 HE21 GLN 28 6.032 13.574 1.457
206 HE22 GLN 28 HE22 GLN 28 7.236 12.488 2.047
207 H THR 29 H THR 29 1.183 16.172 1.246
208 HA THR 29 HA THR 29 3.163 15.911 -0.974
209 HB THR 29 HB THR 29 0.133 16.386 -0.982
210 HG1 THR 29 HG1 THR 29 0.842 14.186 -0.395
211 HG21 THR 29 HG21 THR 29 2.124 15.880 -3.291
212 HG22 THR 29 HG22 THR 29 1.204 17.391 -3.016
213 HG23 THR 29 HG23 THR 29 0.344 15.884 -3.438
214 H LYS 30 H LYS 30 0.872 18.320 0.562
215 HA LYS 30 HA LYS 30 2.305 20.514 -0.925
216 HB2 LYS 30 HB2 LYS 30 0.181 21.856 -0.391
217 HB3 LYS 30 HB3 LYS 30 0.050 20.588 -1.619
218 HG2 LYS 30 HG2 LYS 30 -1.934 20.660 -0.142
219 HG3 LYS 30 HG3 LYS 30 -1.149 19.083 -0.170
220 HD2 LYS 30 HD2 LYS 30 0.031 19.888 2.118
221 HD3 LYS 30 HD3 LYS 30 -1.198 21.165 2.097
222 HE2 LYS 30 HE2 LYS 30 -1.601 18.094 2.103
223 HE3 LYS 30 HE3 LYS 30 -1.821 19.182 3.492
224 HZ1 LYS 30 HZ1 LYS 30 -3.530 19.114 0.972
225 HZ2 LYS 30 HZ2 LYS 30 -3.677 20.309 2.245
226 HZ3 LYS 30 HZ3 LYS 30 -3.979 18.622 2.563
227 H ILE 31 H ILE 31 3.451 19.226 1.433
228 HA ILE 31 HA ILE 31 3.779 21.718 2.916
229 HB ILE 31 HB ILE 31 1.829 20.883 4.064
230 HG12 ILE 31 HG12 ILE 31 4.387 20.533 5.756
231 HG13 ILE 31 HG13 ILE 31 3.570 22.071 5.380
232 HG21 ILE 31 HG21 ILE 31 1.587 18.731 5.153
233 HG22 ILE 31 HG22 ILE 31 2.159 18.409 3.509
234 HG23 ILE 31 HG23 ILE 31 3.298 18.323 4.892
235 HD11 ILE 31 HD11 ILE 31 1.494 21.215 6.613
236 HD12 ILE 31 HD12 ILE 31 2.453 19.797 7.140
237 HD13 ILE 31 HD13 ILE 31 2.938 21.433 7.643
238 H THR 32 H THR 32 4.705 18.099 3.006
239 HA THR 32 HA THR 32 7.403 19.016 3.756
240 HB THR 32 HB THR 32 6.589 16.182 2.993
241 HG1 THR 32 HG1 THR 32 6.161 17.415 5.549
242 HG21 THR 32 HG21 THR 32 9.025 16.625 3.339
243 HG22 THR 32 HG22 THR 32 8.356 15.531 4.590
244 HG23 THR 32 HG23 THR 32 8.677 17.245 4.984
245 H ASP 33 H ASP 33 5.724 17.257 0.944
246 HA ASP 33 HA ASP 33 8.227 17.066 -0.471
247 HB2 ASP 33 HB2 ASP 33 6.239 15.512 -0.821
248 HB3 ASP 33 HB3 ASP 33 5.400 16.849 -1.657
Start of MODEL 7
1 H1 HIS 1 H1 HIS 1 5.097 -24.869 -8.098
2 HA HIS 1 HA HIS 1 3.087 -23.989 -9.204
3 HB2 HIS 1 HB2 HIS 1 3.581 -26.512 -9.386
4 HB3 HIS 1 HB3 HIS 1 2.493 -26.768 -8.005
5 HD1 HIS 1 HD1 HIS 1 2.533 -25.869 -11.620
6 HD2 HIS 1 HD2 HIS 1 -0.226 -26.410 -8.495
7 HE1 HIS 1 HE1 HIS 1 0.267 -25.993 -12.728
8 H ALA 2 H ALA 2 0.708 -23.446 -8.915
9 HA ALA 2 HA ALA 2 0.229 -22.545 -6.181
10 HB1 ALA 2 HB1 ALA 2 -0.527 -21.174 -8.081
11 HB2 ALA 2 HB2 ALA 2 -1.622 -22.475 -8.631
12 HB3 ALA 2 HB3 ALA 2 -1.912 -21.664 -7.062
13 H ASP 3 H ASP 3 0.039 -24.481 -4.805
14 HA ASP 3 HA ASP 3 -2.134 -26.415 -5.601
15 HB2 ASP 3 HB2 ASP 3 0.198 -26.733 -3.632
16 HB3 ASP 3 HB3 ASP 3 -1.003 -27.978 -4.067
17 H GLY 4 H GLY 4 -3.500 -24.312 -4.812
18 HA2 GLY 4 HA2 GLY 4 -5.210 -24.844 -2.991
19 HA3 GLY 4 HA3 GLY 4 -3.879 -24.609 -1.831
20 H SER 5 H SER 5 -5.625 -22.992 -1.065
21 HA SER 5 HA SER 5 -5.772 -20.501 -2.628
22 HB2 SER 5 HB2 SER 5 -7.643 -21.311 -1.137
23 HB3 SER 5 HB3 SER 5 -6.578 -21.061 0.287
24 HG SER 5 HG SER 5 -7.919 -19.149 -0.193
25 H PHE 6 H PHE 6 -5.363 -18.557 -0.537
26 HA PHE 6 HA PHE 6 -3.699 -17.379 0.471
27 HB2 PHE 6 HB2 PHE 6 -3.217 -19.933 1.424
28 HB3 PHE 6 HB3 PHE 6 -1.672 -19.608 0.623
29 HD1 PHE 6 HD1 PHE 6 -4.218 -18.259 3.032
30 HD2 PHE 6 HD2 PHE 6 -0.103 -18.061 1.785
31 HE1 PHE 6 HE1 PHE 6 -3.656 -17.013 5.093
32 HE2 PHE 6 HE2 PHE 6 0.456 -16.819 3.854
33 HZ PHE 6 HZ PHE 6 -1.311 -16.313 5.523
34 H SER 7 H SER 7 -3.777 -18.170 -2.647
35 HA SER 7 HA SER 7 -0.971 -17.456 -3.287
36 HB2 SER 7 HB2 SER 7 -3.372 -18.084 -5.109
37 HB3 SER 7 HB3 SER 7 -1.729 -17.648 -5.649
38 HG SER 7 HG SER 7 -2.324 -19.957 -4.040
39 H ASP 8 H ASP 8 -4.400 -16.143 -3.869
40 HA ASP 8 HA ASP 8 -3.418 -13.617 -4.749
41 HB2 ASP 8 HB2 ASP 8 -5.648 -12.712 -4.235
42 HB3 ASP 8 HB3 ASP 8 -5.815 -14.301 -5.029
43 H GLU 9 H GLU 9 -3.990 -14.987 -1.416
44 HA GLU 9 HA GLU 9 -3.677 -12.337 -0.219
45 HB2 GLU 9 HB2 GLU 9 -3.668 -15.081 1.136
46 HB3 GLU 9 HB3 GLU 9 -3.740 -13.504 1.961
47 HG2 GLU 9 HG2 GLU 9 -5.933 -12.987 0.896
48 HG3 GLU 9 HG3 GLU 9 -5.885 -14.524 -0.007
49 H MET 10 H MET 10 -1.296 -14.657 -1.450
50 HA MET 10 HA MET 10 0.607 -14.383 0.594
51 HB2 MET 10 HB2 MET 10 2.336 -15.000 -0.946
52 HB3 MET 10 HB3 MET 10 0.865 -15.862 -1.457
53 HG2 MET 10 HG2 MET 10 1.887 -15.064 -3.485
54 HG3 MET 10 HG3 MET 10 0.575 -13.882 -3.199
55 HE1 MET 10 HE1 MET 10 1.775 -12.488 -5.035
56 HE2 MET 10 HE2 MET 10 3.339 -11.645 -4.800
57 HE3 MET 10 HE3 MET 10 3.309 -13.406 -5.144
58 H ASN 11 H ASN 11 -0.446 -11.999 -1.914
59 HA ASN 11 HA ASN 11 1.895 -10.322 -1.306
60 HB2 ASN 11 HB2 ASN 11 0.732 -10.721 -3.633
61 HB3 ASN 11 HB3 ASN 11 -0.456 -9.516 -3.080
62 HD21 ASN 11 HD21 ASN 11 0.710 -8.775 -5.338
63 HD22 ASN 11 HD22 ASN 11 2.057 -7.723 -5.114
64 H THR 12 H THR 12 -0.852 -10.857 0.549
65 HA THR 12 HA THR 12 -1.799 -8.221 0.971
66 HB THR 12 HB THR 12 -1.548 -10.516 3.000
67 HG1 THR 12 HG1 THR 12 -3.663 -9.981 1.136
68 HG21 THR 12 HG21 THR 12 -3.476 -8.097 2.914
69 HG22 THR 12 HG22 THR 12 -2.207 -8.385 4.144
70 HG23 THR 12 HG23 THR 12 -3.607 -9.483 4.032
71 H ILE 13 H ILE 13 1.306 -9.775 1.907
72 HA ILE 13 HA ILE 13 1.947 -8.268 4.150
73 HB ILE 13 HB ILE 13 3.861 -8.845 1.813
74 HG12 ILE 13 HG12 ILE 13 3.101 -11.014 2.605
75 HG13 ILE 13 HG13 ILE 13 4.742 -10.727 3.190
76 HG21 ILE 13 HG21 ILE 13 4.784 -7.040 3.194
77 HG22 ILE 13 HG22 ILE 13 4.452 -7.940 4.695
78 HG23 ILE 13 HG23 ILE 13 5.688 -8.525 3.546
79 HD11 ILE 13 HD11 ILE 13 2.158 -10.521 4.860
80 HD12 ILE 13 HD12 ILE 13 3.410 -11.783 4.954
81 HD13 ILE 13 HD13 ILE 13 3.797 -10.123 5.476
82 H LEU 14 H LEU 14 2.436 -7.196 0.641
83 HA LEU 14 HA LEU 14 3.284 -4.649 1.626
84 HB2 LEU 14 HB2 LEU 14 3.414 -3.798 -0.588
85 HB3 LEU 14 HB3 LEU 14 4.049 -5.459 -0.518
86 HG LEU 14 HG LEU 14 1.764 -6.219 -1.507
87 HD11 LEU 14 HD11 LEU 14 1.516 -3.203 -2.123
88 HD12 LEU 14 HD12 LEU 14 0.350 -4.186 -1.197
89 HD13 LEU 14 HD13 LEU 14 0.568 -4.489 -2.920
90 HD21 LEU 14 HD21 LEU 14 3.897 -6.126 -2.837
91 HD22 LEU 14 HD22 LEU 14 3.619 -4.393 -3.178
92 HD23 LEU 14 HD23 LEU 14 2.515 -5.628 -3.845
93 H ASP 15 H ASP 15 0.011 -5.956 1.003
94 HA ASP 15 HA ASP 15 -1.293 -3.530 0.512
95 HB2 ASP 15 HB2 ASP 15 -2.401 -5.786 0.469
96 HB3 ASP 15 HB3 ASP 15 -2.383 -5.805 2.260
97 H ASN 16 H ASN 16 -0.128 -4.846 3.718
98 HA ASN 16 HA ASN 16 -1.573 -2.848 5.230
99 HB2 ASN 16 HB2 ASN 16 0.783 -4.655 5.941
100 HB3 ASN 16 HB3 ASN 16 0.380 -3.253 6.957
101 HD21 ASN 16 HD21 ASN 16 -1.734 -5.790 5.248
102 HD22 ASN 16 HD22 ASN 16 -2.592 -6.145 6.699
103 H LEU 17 H LEU 17 2.042 -2.964 4.555
104 HA LEU 17 HA LEU 17 2.352 -0.290 5.391
105 HB2 LEU 17 HB2 LEU 17 4.588 -0.319 4.393
106 HB3 LEU 17 HB3 LEU 17 4.216 -1.867 5.178
107 HG LEU 17 HG LEU 17 3.459 -2.543 2.656
108 HD11 LEU 17 HD11 LEU 17 3.980 -0.253 1.651
109 HD12 LEU 17 HD12 LEU 17 4.913 -1.575 0.914
110 HD13 LEU 17 HD13 LEU 17 5.686 -0.490 2.105
111 HD21 LEU 17 HD21 LEU 17 5.731 -3.530 2.289
112 HD22 LEU 17 HD22 LEU 17 5.170 -3.770 3.963
113 HD23 LEU 17 HD23 LEU 17 6.384 -2.504 3.603
114 H ALA 18 H ALA 18 1.300 -1.528 2.161
115 HA ALA 18 HA ALA 18 1.858 0.975 0.831
116 HB1 ALA 18 HB1 ALA 18 -0.096 -1.252 0.012
117 HB2 ALA 18 HB2 ALA 18 0.461 0.099 -1.021
118 HB3 ALA 18 HB3 ALA 18 1.632 -1.134 -0.459
119 H ALA 19 H ALA 19 -1.118 -0.521 2.354
120 HA ALA 19 HA ALA 19 -2.970 1.389 1.569
121 HB1 ALA 19 HB1 ALA 19 -3.640 -0.577 2.952
122 HB2 ALA 19 HB2 ALA 19 -2.754 0.075 4.363
123 HB3 ALA 19 HB3 ALA 19 -4.191 0.934 3.733
124 H ARG 20 H ARG 20 -0.650 1.560 4.397
125 HA ARG 20 HA ARG 20 -1.663 4.245 4.988
126 HB2 ARG 20 HB2 ARG 20 -0.231 2.310 6.576
127 HB3 ARG 20 HB3 ARG 20 0.912 3.638 6.313
128 HG2 ARG 20 HG2 ARG 20 -0.285 4.185 8.344
129 HG3 ARG 20 HG3 ARG 20 -0.948 5.252 7.086
130 HD2 ARG 20 HD2 ARG 20 -2.822 4.392 8.377
131 HD3 ARG 20 HD3 ARG 20 -2.869 3.539 6.801
132 HE ARG 20 HE ARG 20 -1.357 2.001 8.729
133 HH11 ARG 20 HH12 ARG 20 -4.747 2.986 7.983
134 HH12 ARG 20 HH11 ARG 20 -5.402 1.540 8.740
135 HH21 ARG 20 HH22 ARG 20 -2.296 0.199 9.683
136 HH22 ARG 20 HH21 ARG 20 -4.050 -0.002 9.693
137 H ASP 21 H ASP 21 1.214 2.901 3.221
138 HA ASP 21 HA ASP 21 2.631 5.305 3.045
139 HB2 ASP 21 HB2 ASP 21 3.403 3.178 1.903
140 HB3 ASP 21 HB3 ASP 21 2.097 3.378 0.701
141 H PHE 22 H PHE 22 -0.392 4.258 1.308
142 HA PHE 22 HA PHE 22 -0.279 6.555 -0.417
143 HB2 PHE 22 HB2 PHE 22 -1.810 4.161 -0.503
144 HB3 PHE 22 HB3 PHE 22 -3.007 5.437 -0.223
145 HD1 PHE 22 HD1 PHE 22 0.208 4.900 -2.170
146 HD2 PHE 22 HD2 PHE 22 -3.876 6.251 -2.346
147 HE1 PHE 22 HE1 PHE 22 0.535 5.580 -4.524
148 HE2 PHE 22 HE2 PHE 22 -3.589 6.769 -4.747
149 HZ PHE 22 HZ PHE 22 -1.368 6.508 -5.824
150 H ILE 23 H ILE 23 -2.335 5.797 2.526
151 HA ILE 23 HA ILE 23 -3.608 8.358 2.412
152 HB ILE 23 HB ILE 23 -3.156 6.393 4.697
153 HG12 ILE 23 HG12 ILE 23 -4.853 5.910 2.819
154 HG13 ILE 23 HG13 ILE 23 -5.482 5.851 4.483
155 HG21 ILE 23 HG21 ILE 23 -4.515 9.132 4.938
156 HG22 ILE 23 HG22 ILE 23 -4.742 7.787 6.101
157 HG23 ILE 23 HG23 ILE 23 -3.129 8.504 5.870
158 HD11 ILE 23 HD11 ILE 23 -6.592 8.046 4.222
159 HD12 ILE 23 HD12 ILE 23 -5.906 8.260 2.586
160 HD13 ILE 23 HD13 ILE 23 -7.073 6.956 2.902
161 H ASN 24 H ASN 24 -0.601 7.341 4.207
162 HA ASN 24 HA ASN 24 -0.146 10.163 4.920
163 HB2 ASN 24 HB2 ASN 24 1.378 7.580 5.495
164 HB3 ASN 24 HB3 ASN 24 2.208 9.126 5.661
165 HD21 ASN 24 HD21 ASN 24 0.872 7.012 7.758
166 HD22 ASN 24 HD22 ASN 24 0.253 8.160 8.885
167 H TRP 25 H TRP 25 0.101 8.856 1.856
168 HA TRP 25 HA TRP 25 2.601 10.306 1.234
169 HB2 TRP 25 HB2 TRP 25 2.501 8.825 -0.517
170 HB3 TRP 25 HB3 TRP 25 0.761 8.596 -0.353
171 HD1 TRP 25 HD1 TRP 25 2.988 11.484 -1.721
172 HE1 TRP 25 HE1 TRP 25 1.809 12.434 -3.741
173 HE3 TRP 25 HE3 TRP 25 -1.316 8.564 -1.685
174 HZ2 TRP 25 HZ2 TRP 25 -0.482 12.056 -5.190
175 HZ3 TRP 25 HZ3 TRP 25 -3.030 9.042 -3.425
176 HH2 TRP 25 HH2 TRP 25 -2.587 10.696 -5.209
177 H LEU 26 H LEU 26 -1.005 10.752 0.821
178 HA LEU 26 HA LEU 26 -0.935 13.072 -0.667
179 HB2 LEU 26 HB2 LEU 26 -2.802 12.501 1.692
180 HB3 LEU 26 HB3 LEU 26 -3.049 13.821 0.519
181 HG LEU 26 HG LEU 26 -3.070 10.820 -0.216
182 HD11 LEU 26 HD11 LEU 26 -5.020 11.481 1.212
183 HD12 LEU 26 HD12 LEU 26 -5.527 11.114 -0.456
184 HD13 LEU 26 HD13 LEU 26 -5.399 12.813 0.081
185 HD21 LEU 26 HD21 LEU 26 -3.722 13.317 -1.909
186 HD22 LEU 26 HD22 LEU 26 -4.051 11.631 -2.398
187 HD23 LEU 26 HD23 LEU 26 -2.378 12.176 -2.194
188 H ILE 27 H ILE 27 -0.487 12.838 2.929
189 HA ILE 27 HA ILE 27 -0.341 15.683 3.213
190 HB ILE 27 HB ILE 27 0.556 15.394 5.447
191 HG12 ILE 27 HG12 ILE 27 0.685 12.795 6.237
192 HG13 ILE 27 HG13 ILE 27 1.182 12.560 4.557
193 HG21 ILE 27 HG21 ILE 27 -1.325 14.193 6.446
194 HG22 ILE 27 HG22 ILE 27 -1.900 15.092 5.022
195 HG23 ILE 27 HG23 ILE 27 -1.663 13.323 4.930
196 HD11 ILE 27 HD11 ILE 27 3.176 12.840 5.970
197 HD12 ILE 27 HD12 ILE 27 3.042 14.332 5.003
198 HD13 ILE 27 HD13 ILE 27 2.516 14.330 6.701
199 H GLN 28 H GLN 28 2.252 13.260 2.402
200 HA GLN 28 HA GLN 28 4.205 15.512 2.545
201 HB2 GLN 28 HB2 GLN 28 5.982 13.801 2.261
202 HB3 GLN 28 HB3 GLN 28 5.000 13.533 3.710
203 HG2 GLN 28 HG2 GLN 28 3.979 11.604 2.751
204 HG3 GLN 28 HG3 GLN 28 4.351 12.085 1.078
205 HE21 GLN 28 HE21 GLN 28 6.250 11.439 4.186
206 HE22 GLN 28 HE22 GLN 28 7.418 10.454 3.387
207 H THR 29 H THR 29 2.288 15.809 0.415
208 HA THR 29 HA THR 29 3.546 14.673 -1.986
209 HB THR 29 HB THR 29 1.250 16.661 -1.612
210 HG1 THR 29 HG1 THR 29 0.947 14.308 -1.273
211 HG21 THR 29 HG21 THR 29 2.447 17.305 -3.709
212 HG22 THR 29 HG22 THR 29 0.915 16.461 -4.073
213 HG23 THR 29 HG23 THR 29 2.467 15.590 -4.227
214 H LYS 30 H LYS 30 3.051 18.107 -0.800
215 HA LYS 30 HA LYS 30 4.772 19.235 -2.614
216 HB2 LYS 30 HB2 LYS 30 4.991 21.181 -1.261
217 HB3 LYS 30 HB3 LYS 30 3.329 20.593 -1.062
218 HG2 LYS 30 HG2 LYS 30 5.651 20.215 0.945
219 HG3 LYS 30 HG3 LYS 30 4.445 21.501 1.036
220 HD2 LYS 30 HD2 LYS 30 3.852 18.504 1.395
221 HD3 LYS 30 HD3 LYS 30 3.996 19.727 2.664
222 HE2 LYS 30 HE2 LYS 30 1.781 19.628 0.527
223 HE3 LYS 30 HE3 LYS 30 1.649 19.183 2.238
224 HZ1 LYS 30 HZ1 LYS 30 2.112 21.967 1.137
225 HZ2 LYS 30 HZ2 LYS 30 2.236 21.558 2.836
226 HZ3 LYS 30 HZ3 LYS 30 0.732 21.372 1.979
227 H ILE 31 H ILE 31 5.743 17.588 0.444
228 HA ILE 31 HA ILE 31 8.465 18.625 0.137
229 HB ILE 31 HB ILE 31 7.356 18.401 2.379
230 HG12 ILE 31 HG12 ILE 31 10.077 17.001 1.982
231 HG13 ILE 31 HG13 ILE 31 9.795 18.756 2.156
232 HG21 ILE 31 HG21 ILE 31 6.399 16.078 1.986
233 HG22 ILE 31 HG22 ILE 31 8.038 15.401 2.180
234 HG23 ILE 31 HG23 ILE 31 7.220 16.240 3.533
235 HD11 ILE 31 HD11 ILE 31 8.842 18.306 4.494
236 HD12 ILE 31 HD12 ILE 31 9.408 16.611 4.338
237 HD13 ILE 31 HD13 ILE 31 10.581 17.943 4.302
238 H THR 32 H THR 32 6.781 15.374 -0.286
239 HA THR 32 HA THR 32 9.427 14.327 -1.220
240 HB THR 32 HB THR 32 6.923 12.733 -0.517
241 HG1 THR 32 HG1 THR 32 9.249 13.222 1.062
242 HG21 THR 32 HG21 THR 32 8.449 11.599 -2.168
243 HG22 THR 32 HG22 THR 32 8.491 10.804 -0.567
244 HG23 THR 32 HG23 THR 32 9.833 11.870 -1.066
245 H ASP 33 H ASP 33 5.897 13.834 -2.268
246 HA ASP 33 HA ASP 33 6.437 14.971 -4.818
247 HB2 ASP 33 HB2 ASP 33 7.656 12.408 -4.596
248 HB3 ASP 33 HB3 ASP 33 6.089 12.001 -5.301
Start of MODEL 8
1 H1 HIS 1 H1 HIS 1 6.821 -23.969 -0.891
2 HA HIS 1 HA HIS 1 5.015 -24.139 -2.552
3 HB2 HIS 1 HB2 HIS 1 6.905 -26.393 -2.026
4 HB3 HIS 1 HB3 HIS 1 5.421 -26.958 -2.818
5 HD1 HIS 1 HD1 HIS 1 7.888 -24.098 -3.325
6 HD2 HIS 1 HD2 HIS 1 5.440 -26.784 -5.437
7 HE1 HIS 1 HE1 HIS 1 8.343 -23.653 -5.774
8 H ALA 2 H ALA 2 2.718 -24.275 -2.397
9 HA ALA 2 HA ALA 2 1.578 -26.780 -1.417
10 HB1 ALA 2 HB1 ALA 2 1.049 -24.170 0.138
11 HB2 ALA 2 HB2 ALA 2 0.147 -25.705 0.345
12 HB3 ALA 2 HB3 ALA 2 1.881 -25.618 0.777
13 H ASP 3 H ASP 3 -0.226 -27.103 -2.878
14 HA ASP 3 HA ASP 3 -0.927 -24.783 -4.537
15 HB2 ASP 3 HB2 ASP 3 -0.721 -27.341 -5.238
16 HB3 ASP 3 HB3 ASP 3 -2.396 -27.457 -4.648
17 H GLY 4 H GLY 4 -3.521 -24.438 -4.855
18 HA2 GLY 4 HA2 GLY 4 -5.680 -24.598 -3.773
19 HA3 GLY 4 HA3 GLY 4 -4.891 -24.749 -2.193
20 H SER 5 H SER 5 -6.136 -22.860 -1.405
21 HA SER 5 HA SER 5 -5.965 -20.354 -2.919
22 HB2 SER 5 HB2 SER 5 -7.988 -21.056 -1.573
23 HB3 SER 5 HB3 SER 5 -7.012 -20.876 -0.078
24 HG SER 5 HG SER 5 -8.206 -18.874 -0.651
25 H PHE 6 H PHE 6 -5.600 -18.457 -0.767
26 HA PHE 6 HA PHE 6 -3.925 -17.354 0.317
27 HB2 PHE 6 HB2 PHE 6 -3.633 -19.875 1.317
28 HB3 PHE 6 HB3 PHE 6 -2.056 -19.731 0.520
29 HD1 PHE 6 HD2 PHE 6 -4.464 -18.066 2.881
30 HD2 PHE 6 HD1 PHE 6 -0.348 -18.327 1.647
31 HE1 PHE 6 HE2 PHE 6 -3.779 -16.822 4.906
32 HE2 PHE 6 HE1 PHE 6 0.332 -17.090 3.680
33 HZ PHE 6 HZ PHE 6 -1.376 -16.355 5.325
34 H SER 7 H SER 7 -3.976 -18.034 -2.790
35 HA SER 7 HA SER 7 -1.120 -17.410 -3.360
36 HB2 SER 7 HB2 SER 7 -3.539 -17.923 -5.196
37 HB3 SER 7 HB3 SER 7 -1.928 -17.421 -5.770
38 HG SER 7 HG SER 7 -1.118 -19.431 -4.800
39 H ASP 8 H ASP 8 -4.497 -15.959 -3.970
40 HA ASP 8 HA ASP 8 -3.410 -13.476 -4.796
41 HB2 ASP 8 HB2 ASP 8 -5.580 -12.464 -4.267
42 HB3 ASP 8 HB3 ASP 8 -5.832 -14.033 -5.079
43 H GLU 9 H GLU 9 -4.192 -14.760 -1.445
44 HA GLU 9 HA GLU 9 -3.544 -12.140 -0.314
45 HB2 GLU 9 HB2 GLU 9 -4.086 -14.803 1.121
46 HB3 GLU 9 HB3 GLU 9 -3.885 -13.213 1.883
47 HG2 GLU 9 HG2 GLU 9 -5.866 -12.437 0.246
48 HG3 GLU 9 HG3 GLU 9 -6.207 -14.180 0.134
49 H MET 10 H MET 10 -1.377 -14.606 -1.464
50 HA MET 10 HA MET 10 0.461 -14.537 0.666
51 HB2 MET 10 HB2 MET 10 2.204 -15.184 -0.840
52 HB3 MET 10 HB3 MET 10 0.706 -15.954 -1.416
53 HG2 MET 10 HG2 MET 10 1.819 -15.157 -3.401
54 HG3 MET 10 HG3 MET 10 0.556 -13.924 -3.118
55 HE1 MET 10 HE1 MET 10 3.475 -11.792 -4.590
56 HE2 MET 10 HE2 MET 10 3.326 -13.538 -4.981
57 HE3 MET 10 HE3 MET 10 1.858 -12.515 -4.867
58 H ASN 11 H ASN 11 -0.400 -12.018 -1.802
59 HA ASN 11 HA ASN 11 2.000 -10.479 -1.102
60 HB2 ASN 11 HB2 ASN 11 0.839 -10.726 -3.451
61 HB3 ASN 11 HB3 ASN 11 -0.324 -9.524 -2.844
62 HD21 ASN 11 HD21 ASN 11 0.542 -8.221 -4.764
63 HD22 ASN 11 HD22 ASN 11 2.056 -7.416 -4.614
64 H THR 12 H THR 12 -1.002 -10.841 0.538
65 HA THR 12 HA THR 12 -1.771 -8.212 1.009
66 HB THR 12 HB THR 12 -1.746 -10.564 2.987
67 HG1 THR 12 HG1 THR 12 -3.927 -10.785 2.014
68 HG21 THR 12 HG21 THR 12 -3.691 -9.402 4.063
69 HG22 THR 12 HG22 THR 12 -3.503 -8.018 2.952
70 HG23 THR 12 HG23 THR 12 -2.239 -8.379 4.175
71 H ILE 13 H ILE 13 1.143 -9.943 2.244
72 HA ILE 13 HA ILE 13 1.830 -8.383 4.412
73 HB ILE 13 HB ILE 13 3.751 -9.071 2.100
74 HG12 ILE 13 HG12 ILE 13 2.930 -11.214 2.891
75 HG13 ILE 13 HG13 ILE 13 4.553 -10.966 3.522
76 HG21 ILE 13 HG21 ILE 13 4.358 -8.154 4.981
77 HG22 ILE 13 HG22 ILE 13 5.569 -8.811 3.843
78 HG23 ILE 13 HG23 ILE 13 4.738 -7.291 3.469
79 HD11 ILE 13 HD11 ILE 13 3.549 -10.299 5.781
80 HD12 ILE 13 HD12 ILE 13 1.926 -10.661 5.114
81 HD13 ILE 13 HD13 ILE 13 3.139 -11.953 5.263
82 H LEU 14 H LEU 14 2.256 -7.443 0.902
83 HA LEU 14 HA LEU 14 3.315 -4.876 1.664
84 HB2 LEU 14 HB2 LEU 14 1.979 -5.722 -0.969
85 HB3 LEU 14 HB3 LEU 14 2.848 -4.187 -0.721
86 HG LEU 14 HG LEU 14 4.150 -6.982 -0.544
87 HD11 LEU 14 HD11 LEU 14 5.204 -6.424 -2.711
88 HD12 LEU 14 HD12 LEU 14 4.410 -4.819 -2.722
89 HD13 LEU 14 HD13 LEU 14 3.435 -6.299 -2.878
90 HD21 LEU 14 HD21 LEU 14 6.331 -5.668 -0.601
91 HD22 LEU 14 HD22 LEU 14 5.434 -5.402 0.900
92 HD23 LEU 14 HD23 LEU 14 5.404 -4.160 -0.388
93 H ASP 15 H ASP 15 -0.061 -6.053 0.897
94 HA ASP 15 HA ASP 15 -1.268 -3.643 0.529
95 HB2 ASP 15 HB2 ASP 15 -2.519 -5.808 0.527
96 HB3 ASP 15 HB3 ASP 15 -2.418 -5.863 2.311
97 H ASN 16 H ASN 16 -0.199 -4.891 3.810
98 HA ASN 16 HA ASN 16 -1.640 -2.807 5.209
99 HB2 ASN 16 HB2 ASN 16 0.617 -4.680 6.065
100 HB3 ASN 16 HB3 ASN 16 0.253 -3.229 7.020
101 HD21 ASN 16 HD21 ASN 16 -1.932 -5.705 5.343
102 HD22 ASN 16 HD22 ASN 16 -2.851 -5.977 6.775
103 H LEU 17 H LEU 17 2.003 -3.024 4.859
104 HA LEU 17 HA LEU 17 2.339 -0.321 5.491
105 HB2 LEU 17 HB2 LEU 17 4.614 -0.451 4.579
106 HB3 LEU 17 HB3 LEU 17 4.175 -1.891 5.513
107 HG LEU 17 HG LEU 17 3.540 -2.898 3.077
108 HD11 LEU 17 HD11 LEU 17 5.042 -2.138 1.273
109 HD12 LEU 17 HD12 LEU 17 5.772 -0.905 2.340
110 HD13 LEU 17 HD13 LEU 17 4.084 -0.737 1.798
111 HD21 LEU 17 HD21 LEU 17 5.201 -3.912 4.594
112 HD22 LEU 17 HD22 LEU 17 6.411 -2.677 4.125
113 HD23 LEU 17 HD23 LEU 17 5.836 -3.879 2.932
114 H ALA 18 H ALA 18 1.472 -1.711 2.280
115 HA ALA 18 HA ALA 18 2.080 0.702 0.849
116 HB1 ALA 18 HB1 ALA 18 0.699 -0.252 -0.972
117 HB2 ALA 18 HB2 ALA 18 1.813 -1.493 -0.322
118 HB3 ALA 18 HB3 ALA 18 0.079 -1.524 0.120
119 H ALA 19 H ALA 19 -0.936 -0.600 2.488
120 HA ALA 19 HA ALA 19 -2.719 1.299 1.528
121 HB1 ALA 19 HB1 ALA 19 -2.621 0.202 4.405
122 HB2 ALA 19 HB2 ALA 19 -4.000 1.064 3.661
123 HB3 ALA 19 HB3 ALA 19 -3.491 -0.525 3.021
124 H ARG 20 H ARG 20 -0.412 1.561 4.345
125 HA ARG 20 HA ARG 20 -1.240 4.321 4.827
126 HB2 ARG 20 HB2 ARG 20 0.721 2.451 6.150
127 HB3 ARG 20 HB3 ARG 20 1.165 4.164 6.172
128 HG2 ARG 20 HG2 ARG 20 -0.113 3.587 8.181
129 HG3 ARG 20 HG3 ARG 20 -0.924 4.835 7.217
130 HD2 ARG 20 HD2 ARG 20 -2.861 3.537 7.053
131 HD3 ARG 20 HD3 ARG 20 -1.938 2.216 6.362
132 HE ARG 20 HE ARG 20 -1.988 1.089 8.342
133 HH11 ARG 20 HH12 ARG 20 -2.469 4.594 9.076
134 HH12 ARG 20 HH11 ARG 20 -2.720 4.266 10.783
135 HH21 ARG 20 HH22 ARG 20 -2.329 0.791 10.542
136 HH22 ARG 20 HH21 ARG 20 -2.650 2.167 11.598
137 H ASP 21 H ASP 21 1.413 2.769 2.860
138 HA ASP 21 HA ASP 21 3.035 4.994 2.642
139 HB2 ASP 21 HB2 ASP 21 3.575 2.876 1.438
140 HB3 ASP 21 HB3 ASP 21 2.206 3.138 0.322
141 H PHE 22 H PHE 22 -0.033 4.311 0.706
142 HA PHE 22 HA PHE 22 0.283 6.854 -0.628
143 HB2 PHE 22 HB2 PHE 22 -1.641 6.407 -1.886
144 HB3 PHE 22 HB3 PHE 22 -0.956 4.803 -1.592
145 HD1 PHE 22 HD2 PHE 22 -3.538 7.308 -0.539
146 HD2 PHE 22 HD1 PHE 22 -2.321 3.183 -0.284
147 HE1 PHE 22 HE2 PHE 22 -5.733 6.723 0.431
148 HE2 PHE 22 HE1 PHE 22 -4.556 2.596 0.630
149 HZ PHE 22 HZ PHE 22 -6.239 4.366 1.039
150 H ILE 23 H ILE 23 -1.764 5.612 2.140
151 HA ILE 23 HA ILE 23 -3.323 7.920 2.284
152 HB ILE 23 HB ILE 23 -3.117 5.606 3.941
153 HG12 ILE 23 HG12 ILE 23 -5.187 6.530 3.016
154 HG13 ILE 23 HG13 ILE 23 -5.302 6.118 4.736
155 HG21 ILE 23 HG21 ILE 23 -1.675 6.761 5.573
156 HG22 ILE 23 HG22 ILE 23 -2.856 8.086 5.740
157 HG23 ILE 23 HG23 ILE 23 -3.283 6.434 6.264
158 HD11 ILE 23 HD11 ILE 23 -6.466 8.276 4.160
159 HD12 ILE 23 HD12 ILE 23 -5.206 8.505 5.396
160 HD13 ILE 23 HD13 ILE 23 -4.907 9.014 3.708
161 H ASN 24 H ASN 24 -0.046 7.348 3.735
162 HA ASN 24 HA ASN 24 -0.105 10.020 4.937
163 HB2 ASN 24 HB2 ASN 24 1.983 7.805 4.898
164 HB3 ASN 24 HB3 ASN 24 2.486 9.458 5.263
165 HD21 ASN 24 HD21 ASN 24 0.769 6.677 6.687
166 HD22 ASN 24 HD22 ASN 24 0.439 7.483 8.177
167 H TRP 25 H TRP 25 0.505 9.015 1.642
168 HA TRP 25 HA TRP 25 2.456 11.166 1.206
169 HB2 TRP 25 HB2 TRP 25 2.777 9.899 -0.678
170 HB3 TRP 25 HB3 TRP 25 1.215 9.094 -0.543
171 HD1 TRP 25 HD1 TRP 25 2.612 12.466 -1.866
172 HE1 TRP 25 HE1 TRP 25 1.130 13.235 -3.759
173 HE3 TRP 25 HE3 TRP 25 -1.059 8.817 -1.632
174 HZ2 TRP 25 HZ2 TRP 25 -1.169 12.489 -5.046
175 HZ3 TRP 25 HZ3 TRP 25 -2.901 8.924 -3.310
176 HH2 TRP 25 HH2 TRP 25 -2.949 10.728 -5.006
177 H LEU 26 H LEU 26 -1.165 10.893 1.143
178 HA LEU 26 HA LEU 26 -1.560 13.268 -0.351
179 HB2 LEU 26 HB2 LEU 26 -3.261 12.234 1.994
180 HB3 LEU 26 HB3 LEU 26 -3.772 13.499 0.848
181 HG LEU 26 HG LEU 26 -3.202 10.556 0.075
182 HD11 LEU 26 HD11 LEU 26 -5.233 10.806 1.519
183 HD12 LEU 26 HD12 LEU 26 -5.662 10.353 -0.151
184 HD13 LEU 26 HD13 LEU 26 -5.881 12.041 0.398
185 HD21 LEU 26 HD21 LEU 26 -2.796 12.053 -1.876
186 HD22 LEU 26 HD22 LEU 26 -4.350 12.887 -1.586
187 HD23 LEU 26 HD23 LEU 26 -4.323 11.176 -2.098
188 H ILE 27 H ILE 27 -1.053 12.880 3.245
189 HA ILE 27 HA ILE 27 -1.319 15.687 3.722
190 HB ILE 27 HB ILE 27 0.062 15.406 5.768
191 HG12 ILE 27 HG12 ILE 27 0.096 12.381 5.293
192 HG13 ILE 27 HG13 ILE 27 1.421 13.397 4.685
193 HG21 ILE 27 HG21 ILE 27 -1.591 13.950 6.994
194 HG22 ILE 27 HG22 ILE 27 -2.380 15.096 5.883
195 HG23 ILE 27 HG23 ILE 27 -2.232 13.374 5.430
196 HD11 ILE 27 HD11 ILE 27 2.042 12.429 6.839
197 HD12 ILE 27 HD12 ILE 27 1.962 14.211 6.936
198 HD13 ILE 27 HD13 ILE 27 0.650 13.213 7.641
199 H GLN 28 H GLN 28 1.461 13.841 2.294
200 HA GLN 28 HA GLN 28 3.147 16.241 2.739
201 HB2 GLN 28 HB2 GLN 28 3.917 13.551 1.450
202 HB3 GLN 28 HB3 GLN 28 5.007 14.870 1.931
203 HG2 GLN 28 HG2 GLN 28 3.944 14.540 4.349
204 HG3 GLN 28 HG3 GLN 28 3.481 12.940 3.719
205 HE21 GLN 28 HE21 GLN 28 6.020 14.426 5.446
206 HE22 GLN 28 HE22 GLN 28 7.242 13.296 5.009
207 H THR 29 H THR 29 0.805 16.583 0.890
208 HA THR 29 HA THR 29 1.974 16.422 -1.774
209 HB THR 29 HB THR 29 -0.518 17.912 -0.785
210 HG1 THR 29 HG1 THR 29 -0.261 15.365 -2.067
211 HG21 THR 29 HG21 THR 29 0.349 18.926 -2.906
212 HG22 THR 29 HG22 THR 29 -1.133 17.971 -3.217
213 HG23 THR 29 HG23 THR 29 0.468 17.300 -3.653
214 H LYS 30 H LYS 30 1.127 19.187 0.517
215 HA LYS 30 HA LYS 30 2.241 21.108 -1.118
216 HB2 LYS 30 HB2 LYS 30 2.308 22.670 0.631
217 HB3 LYS 30 HB3 LYS 30 0.870 21.671 0.895
218 HG2 LYS 30 HG2 LYS 30 3.570 21.417 2.405
219 HG3 LYS 30 HG3 LYS 30 2.194 22.358 2.980
220 HD2 LYS 30 HD2 LYS 30 2.157 19.273 2.701
221 HD3 LYS 30 HD3 LYS 30 2.395 20.231 4.171
222 HE2 LYS 30 HE2 LYS 30 0.079 21.292 3.746
223 HE3 LYS 30 HE3 LYS 30 -0.161 20.073 2.463
224 HZ1 LYS 30 HZ1 LYS 30 -1.137 19.295 4.537
225 HZ2 LYS 30 HZ2 LYS 30 0.339 19.534 5.401
226 HZ3 LYS 30 HZ3 LYS 30 0.247 18.296 4.166
227 H ILE 31 H ILE 31 3.985 18.991 1.230
228 HA ILE 31 HA ILE 31 6.368 20.654 0.992
229 HB ILE 31 HB ILE 31 5.669 19.539 3.132
230 HG12 ILE 31 HG12 ILE 31 8.530 19.020 2.108
231 HG13 ILE 31 HG13 ILE 31 7.904 20.530 2.826
232 HG21 ILE 31 HG21 ILE 31 5.170 17.236 2.101
233 HG22 ILE 31 HG22 ILE 31 6.929 16.981 1.975
234 HG23 ILE 31 HG23 ILE 31 6.142 17.190 3.570
235 HD11 ILE 31 HD11 ILE 31 7.431 19.240 4.993
236 HD12 ILE 31 HD12 ILE 31 8.297 17.840 4.283
237 HD13 ILE 31 HD13 ILE 31 9.161 19.367 4.563
238 H THR 32 H THR 32 5.321 17.358 -0.262
239 HA THR 32 HA THR 32 7.936 17.232 -1.699
240 HB THR 32 HB THR 32 5.829 15.032 -1.344
241 HG1 THR 32 HG1 THR 32 8.198 15.500 0.186
242 HG21 THR 32 HG21 THR 32 7.680 13.531 -2.029
243 HG22 THR 32 HG22 THR 32 8.769 14.930 -2.264
244 HG23 THR 32 HG23 THR 32 7.344 14.715 -3.329
245 H ASP 33 H ASP 33 4.354 16.624 -2.338
246 HA ASP 33 HA ASP 33 3.124 16.996 -4.230
247 HB2 ASP 33 HB2 ASP 33 4.594 19.371 -3.776
248 HB3 ASP 33 HB3 ASP 33 4.980 19.018 -5.468
Start of MODEL 9
1 H1 HIS 1 H1 HIS 1 2.069 -16.990 -12.253
2 HA HIS 1 HA HIS 1 1.521 -17.934 -10.033
3 HB2 HIS 1 HB2 HIS 1 3.456 -16.634 -9.076
4 HB3 HIS 1 HB3 HIS 1 2.452 -15.169 -8.996
5 HD1 HIS 1 HD1 HIS 1 3.635 -16.423 -6.511
6 HD2 HIS 1 HD2 HIS 1 -0.189 -17.391 -7.985
7 HE1 HIS 1 HE1 HIS 1 2.354 -17.373 -4.551
8 H ALA 2 H ALA 2 -0.611 -17.889 -11.140
9 HA ALA 2 HA ALA 2 -2.065 -15.259 -10.936
10 HB1 ALA 2 HB1 ALA 2 -2.203 -17.416 -13.139
11 HB2 ALA 2 HB2 ALA 2 -3.164 -15.910 -13.081
12 HB3 ALA 2 HB3 ALA 2 -1.385 -15.834 -13.283
13 H ASP 3 H ASP 3 -4.407 -15.438 -10.609
14 HA ASP 3 HA ASP 3 -6.257 -16.295 -9.593
15 HB2 ASP 3 HB2 ASP 3 -6.165 -17.753 -11.656
16 HB3 ASP 3 HB3 ASP 3 -5.326 -19.005 -10.710
17 H GLY 4 H GLY 4 -7.122 -17.639 -7.727
18 HA2 GLY 4 HA2 GLY 4 -6.189 -19.459 -6.197
19 HA3 GLY 4 HA3 GLY 4 -4.871 -18.314 -5.855
20 H SER 5 H SER 5 -7.383 -19.346 -4.134
21 HA SER 5 HA SER 5 -8.693 -16.795 -3.601
22 HB2 SER 5 HB2 SER 5 -9.921 -18.872 -3.152
23 HB3 SER 5 HB3 SER 5 -8.695 -19.402 -1.970
24 HG SER 5 HG SER 5 -10.496 -18.233 -0.926
25 H PHE 6 H PHE 6 -6.418 -18.881 -1.575
26 HA PHE 6 HA PHE 6 -5.705 -16.413 -0.097
27 HB2 PHE 6 HB2 PHE 6 -4.665 -17.792 1.540
28 HB3 PHE 6 HB3 PHE 6 -6.205 -18.571 1.131
29 HD1 PHE 6 HD1 PHE 6 -2.491 -18.660 0.663
30 HD2 PHE 6 HD2 PHE 6 -6.169 -20.818 0.060
31 HE1 PHE 6 HE1 PHE 6 -1.208 -20.667 0.015
32 HE2 PHE 6 HE2 PHE 6 -4.877 -22.826 -0.580
33 HZ PHE 6 HZ PHE 6 -2.396 -22.757 -0.612
34 H SER 7 H SER 7 -4.199 -18.701 -2.542
35 HA SER 7 HA SER 7 -1.555 -17.883 -2.037
36 HB2 SER 7 HB2 SER 7 -2.790 -18.637 -4.739
37 HB3 SER 7 HB3 SER 7 -1.042 -18.453 -4.408
38 HG SER 7 HG SER 7 -1.752 -20.699 -4.084
39 H ASP 8 H ASP 8 -4.198 -16.195 -3.963
40 HA ASP 8 HA ASP 8 -2.458 -14.120 -4.911
41 HB2 ASP 8 HB2 ASP 8 -5.436 -13.961 -4.134
42 HB3 ASP 8 HB3 ASP 8 -4.524 -12.685 -4.989
43 H GLU 9 H GLU 9 -4.180 -14.612 -1.740
44 HA GLU 9 HA GLU 9 -3.455 -12.019 -0.740
45 HB2 GLU 9 HB2 GLU 9 -4.116 -14.566 0.846
46 HB3 GLU 9 HB3 GLU 9 -3.969 -12.941 1.540
47 HG2 GLU 9 HG2 GLU 9 -5.901 -12.116 0.270
48 HG3 GLU 9 HG3 GLU 9 -6.027 -13.630 -0.654
49 H MET 10 H MET 10 -1.291 -14.702 -1.435
50 HA MET 10 HA MET 10 0.384 -14.580 0.770
51 HB2 MET 10 HB2 MET 10 2.211 -15.341 -0.620
52 HB3 MET 10 HB3 MET 10 0.715 -16.092 -1.215
53 HG2 MET 10 HG2 MET 10 1.919 -15.414 -3.190
54 HG3 MET 10 HG3 MET 10 0.702 -14.123 -3.021
55 HE1 MET 10 HE1 MET 10 3.614 -14.028 -4.752
56 HE2 MET 10 HE2 MET 10 2.221 -12.899 -4.796
57 HE3 MET 10 HE3 MET 10 3.869 -12.275 -4.459
58 H ASN 11 H ASN 11 -0.076 -12.084 -1.830
59 HA ASN 11 HA ASN 11 2.346 -10.689 -0.899
60 HB2 ASN 11 HB2 ASN 11 1.472 -10.942 -3.371
61 HB3 ASN 11 HB3 ASN 11 0.350 -9.628 -2.956
62 HD21 ASN 11 HD21 ASN 11 1.871 -8.980 -5.012
63 HD22 ASN 11 HD22 ASN 11 3.279 -8.081 -4.593
64 H THR 12 H THR 12 -0.636 -10.920 0.601
65 HA THR 12 HA THR 12 -1.381 -8.206 0.883
66 HB THR 12 HB THR 12 -1.635 -10.509 2.907
67 HG1 THR 12 HG1 THR 12 -3.411 -9.760 0.779
68 HG21 THR 12 HG21 THR 12 -3.301 -7.926 2.599
69 HG22 THR 12 HG22 THR 12 -2.232 -8.321 3.981
70 HG23 THR 12 HG23 THR 12 -3.696 -9.292 3.677
71 H ILE 13 H ILE 13 1.421 -10.018 2.218
72 HA ILE 13 HA ILE 13 1.899 -8.570 4.529
73 HB ILE 13 HB ILE 13 4.046 -9.301 2.449
74 HG12 ILE 13 HG12 ILE 13 3.036 -11.419 3.067
75 HG13 ILE 13 HG13 ILE 13 4.568 -11.259 3.920
76 HG21 ILE 13 HG21 ILE 13 4.334 -8.501 5.409
77 HG22 ILE 13 HG22 ILE 13 5.649 -9.157 4.394
78 HG23 ILE 13 HG23 ILE 13 4.919 -7.593 3.993
79 HD11 ILE 13 HD11 ILE 13 1.753 -10.874 5.133
80 HD12 ILE 13 HD12 ILE 13 2.883 -12.216 5.421
81 HD13 ILE 13 HD13 ILE 13 3.278 -10.588 6.031
82 H LEU 14 H LEU 14 2.901 -7.532 1.129
83 HA LEU 14 HA LEU 14 3.813 -5.044 2.226
84 HB2 LEU 14 HB2 LEU 14 4.306 -4.249 0.053
85 HB3 LEU 14 HB3 LEU 14 4.772 -5.955 0.208
86 HG LEU 14 HG LEU 14 2.565 -6.510 -1.089
87 HD11 LEU 14 HD11 LEU 14 2.722 -3.491 -1.744
88 HD12 LEU 14 HD12 LEU 14 1.354 -4.303 -0.950
89 HD13 LEU 14 HD13 LEU 14 1.733 -4.684 -2.626
90 HD21 LEU 14 HD21 LEU 14 4.801 -4.914 -2.478
91 HD22 LEU 14 HD22 LEU 14 3.669 -6.022 -3.297
92 HD23 LEU 14 HD23 LEU 14 4.848 -6.664 -2.127
93 H ASP 15 H ASP 15 0.564 -6.128 1.105
94 HA ASP 15 HA ASP 15 -0.480 -3.608 0.509
95 HB2 ASP 15 HB2 ASP 15 -1.770 -5.730 0.187
96 HB3 ASP 15 HB3 ASP 15 -1.957 -5.870 1.959
97 H ASN 16 H ASN 16 -0.058 -5.117 3.811
98 HA ASN 16 HA ASN 16 -1.512 -3.084 5.202
99 HB2 ASN 16 HB2 ASN 16 0.795 -4.929 6.052
100 HB3 ASN 16 HB3 ASN 16 0.351 -3.550 7.069
101 HD21 ASN 16 HD21 ASN 16 -1.804 -5.941 5.205
102 HD22 ASN 16 HD22 ASN 16 -2.690 -6.334 6.624
103 H LEU 17 H LEU 17 1.848 -3.128 3.854
104 HA LEU 17 HA LEU 17 2.512 -0.653 5.256
105 HB2 LEU 17 HB2 LEU 17 4.055 -1.711 2.837
106 HB3 LEU 17 HB3 LEU 17 4.618 -0.679 4.167
107 HG LEU 17 HG LEU 17 4.008 -3.710 4.252
108 HD11 LEU 17 HD11 LEU 17 6.389 -3.945 4.767
109 HD12 LEU 17 HD12 LEU 17 6.602 -2.170 4.771
110 HD13 LEU 17 HD13 LEU 17 6.199 -3.023 3.252
111 HD21 LEU 17 HD21 LEU 17 4.684 -3.687 6.655
112 HD22 LEU 17 HD22 LEU 17 3.183 -2.768 6.419
113 HD23 LEU 17 HD23 LEU 17 4.732 -1.900 6.634
114 H ALA 18 H ALA 18 1.830 -1.607 1.784
115 HA ALA 18 HA ALA 18 2.064 0.950 0.711
116 HB1 ALA 18 HB1 ALA 18 1.785 -1.101 -0.705
117 HB2 ALA 18 HB2 ALA 18 0.088 -1.251 -0.160
118 HB3 ALA 18 HB3 ALA 18 0.588 0.151 -1.152
119 H ALA 19 H ALA 19 -0.787 -0.603 2.355
120 HA ALA 19 HA ALA 19 -2.768 1.161 1.662
121 HB1 ALA 19 HB1 ALA 19 -2.267 0.013 4.483
122 HB2 ALA 19 HB2 ALA 19 -3.802 0.746 3.930
123 HB3 ALA 19 HB3 ALA 19 -3.207 -0.759 3.172
124 H ARG 20 H ARG 20 -0.284 1.618 4.308
125 HA ARG 20 HA ARG 20 -1.323 4.333 4.796
126 HB2 ARG 20 HB2 ARG 20 0.560 2.516 6.267
127 HB3 ARG 20 HB3 ARG 20 1.128 4.188 6.161
128 HG2 ARG 20 HG2 ARG 20 -0.200 3.894 8.190
129 HG3 ARG 20 HG3 ARG 20 -0.990 5.039 7.099
130 HD2 ARG 20 HD2 ARG 20 -2.931 3.749 7.528
131 HD3 ARG 20 HD3 ARG 20 -2.273 2.699 6.305
132 HE ARG 20 HE ARG 20 -1.815 1.084 7.874
133 HH11 ARG 20 HH12 ARG 20 -2.183 4.246 9.593
134 HH12 ARG 20 HH11 ARG 20 -2.162 3.462 11.165
135 HH21 ARG 20 HH22 ARG 20 -1.790 0.198 9.942
136 HH22 ARG 20 HH21 ARG 20 -1.939 1.229 11.365
137 H ASP 21 H ASP 21 1.398 2.904 2.869
138 HA ASP 21 HA ASP 21 2.928 5.191 2.621
139 HB2 ASP 21 HB2 ASP 21 3.485 3.083 1.382
140 HB3 ASP 21 HB3 ASP 21 2.111 3.362 0.278
141 H PHE 22 H PHE 22 -0.159 4.405 0.759
142 HA PHE 22 HA PHE 22 0.053 6.915 -0.612
143 HB2 PHE 22 HB2 PHE 22 -1.907 6.463 -1.778
144 HB3 PHE 22 HB3 PHE 22 -1.177 4.873 -1.515
145 HD1 PHE 22 HD1 PHE 22 -3.795 7.305 -0.389
146 HD2 PHE 22 HD2 PHE 22 -2.443 3.223 -0.139
147 HE1 PHE 22 HE1 PHE 22 -5.955 6.654 0.616
148 HE2 PHE 22 HE2 PHE 22 -4.626 2.572 0.840
149 HZ PHE 22 HZ PHE 22 -6.367 4.287 1.256
150 H ILE 23 H ILE 23 -1.913 5.681 2.225
151 HA ILE 23 HA ILE 23 -3.540 7.921 2.346
152 HB ILE 23 HB ILE 23 -3.285 5.643 4.012
153 HG12 ILE 23 HG12 ILE 23 -5.375 6.543 3.176
154 HG13 ILE 23 HG13 ILE 23 -5.424 6.150 4.905
155 HG21 ILE 23 HG21 ILE 23 -1.787 6.799 5.602
156 HG22 ILE 23 HG22 ILE 23 -2.966 8.114 5.819
157 HG23 ILE 23 HG23 ILE 23 -3.360 6.460 6.354
158 HD11 ILE 23 HD11 ILE 23 -5.315 8.548 5.527
159 HD12 ILE 23 HD12 ILE 23 -5.095 9.029 3.821
160 HD13 ILE 23 HD13 ILE 23 -6.627 8.293 4.355
161 H ASN 24 H ASN 24 -0.246 7.561 3.862
162 HA ASN 24 HA ASN 24 -0.429 10.241 5.009
163 HB2 ASN 24 HB2 ASN 24 1.970 8.360 4.599
164 HB3 ASN 24 HB3 ASN 24 2.088 10.001 5.290
165 HD21 ASN 24 HD21 ASN 24 3.031 8.541 7.145
166 HD22 ASN 24 HD22 ASN 24 1.866 8.055 8.323
167 H TRP 25 H TRP 25 0.845 8.879 1.864
168 HA TRP 25 HA TRP 25 2.321 11.030 1.045
169 HB2 TRP 25 HB2 TRP 25 2.347 9.585 -0.744
170 HB3 TRP 25 HB3 TRP 25 0.673 9.093 -0.485
171 HD1 TRP 25 HD1 TRP 25 2.435 12.198 -2.007
172 HE1 TRP 25 HE1 TRP 25 0.967 13.044 -3.884
173 HE3 TRP 25 HE3 TRP 25 -1.578 8.942 -1.520
174 HZ2 TRP 25 HZ2 TRP 25 -1.465 12.517 -5.033
175 HZ3 TRP 25 HZ3 TRP 25 -3.451 9.172 -3.141
176 HH2 TRP 25 HH2 TRP 25 -3.401 10.934 -4.878
177 H LEU 26 H LEU 26 -1.306 10.867 1.057
178 HA LEU 26 HA LEU 26 -1.748 13.272 -0.315
179 HB2 LEU 26 HB2 LEU 26 -3.310 12.186 2.096
180 HB3 LEU 26 HB3 LEU 26 -3.883 13.515 1.063
181 HG LEU 26 HG LEU 26 -3.397 10.632 0.046
182 HD11 LEU 26 HD11 LEU 26 -6.030 12.062 0.730
183 HD12 LEU 26 HD12 LEU 26 -5.291 10.742 1.682
184 HD13 LEU 26 HD13 LEU 26 -5.873 10.426 0.029
185 HD21 LEU 26 HD21 LEU 26 -4.698 13.074 -1.317
186 HD22 LEU 26 HD22 LEU 26 -4.714 11.410 -1.959
187 HD23 LEU 26 HD23 LEU 26 -3.179 12.284 -1.819
188 H ILE 27 H ILE 27 -1.083 12.876 3.274
189 HA ILE 27 HA ILE 27 -1.314 15.687 3.740
190 HB ILE 27 HB ILE 27 0.207 13.500 5.232
191 HG12 ILE 27 HG12 ILE 27 -2.357 13.694 5.373
192 HG13 ILE 27 HG13 ILE 27 -1.472 13.675 6.916
193 HG21 ILE 27 HG21 ILE 27 1.649 15.410 5.596
194 HG22 ILE 27 HG22 ILE 27 0.266 16.492 5.896
195 HG23 ILE 27 HG23 ILE 27 0.673 15.195 7.064
196 HD11 ILE 27 HD11 ILE 27 -2.559 16.267 5.618
197 HD12 ILE 27 HD12 ILE 27 -3.340 15.341 6.918
198 HD13 ILE 27 HD13 ILE 27 -1.771 16.118 7.212
199 H GLN 28 H GLN 28 1.658 13.670 2.969
200 HA GLN 28 HA GLN 28 3.228 16.159 2.901
201 HB2 GLN 28 HB2 GLN 28 5.148 14.774 2.314
202 HB3 GLN 28 HB3 GLN 28 4.338 14.205 3.786
203 HG2 GLN 28 HG2 GLN 28 3.554 12.215 2.712
204 HG3 GLN 28 HG3 GLN 28 3.644 12.938 1.084
205 HE21 GLN 28 HE21 GLN 28 5.825 11.919 3.843
206 HE22 GLN 28 HE22 GLN 28 7.114 11.453 2.794
207 H THR 29 H THR 29 1.302 16.833 1.160
208 HA THR 29 HA THR 29 2.571 16.404 -1.535
209 HB THR 29 HB THR 29 -0.400 16.776 -0.860
210 HG1 THR 29 HG1 THR 29 1.001 14.458 -1.717
211 HG21 THR 29 HG21 THR 29 0.228 17.828 -3.071
212 HG22 THR 29 HG22 THR 29 -0.732 16.340 -3.306
213 HG23 THR 29 HG23 THR 29 1.035 16.309 -3.560
214 H LYS 30 H LYS 30 0.280 18.753 0.188
215 HA LYS 30 HA LYS 30 1.437 20.865 -1.460
216 HB2 LYS 30 HB2 LYS 30 -0.992 20.784 -0.834
217 HB3 LYS 30 HB3 LYS 30 -0.561 20.976 0.876
218 HG2 LYS 30 HG2 LYS 30 -1.336 23.109 -0.103
219 HG3 LYS 30 HG3 LYS 30 0.332 23.228 0.492
220 HD2 LYS 30 HD2 LYS 30 -0.029 24.434 -1.675
221 HD3 LYS 30 HD3 LYS 30 1.256 23.218 -1.770
222 HE2 LYS 30 HE2 LYS 30 -0.115 23.229 -3.811
223 HE3 LYS 30 HE3 LYS 30 -0.272 21.661 -3.004
224 HZ1 LYS 30 HZ1 LYS 30 -2.294 23.931 -2.824
225 HZ2 LYS 30 HZ2 LYS 30 -2.497 22.334 -2.146
226 HZ3 LYS 30 HZ3 LYS 30 -2.429 22.549 -3.856
227 H ILE 31 H ILE 31 1.506 19.880 2.076
228 HA ILE 31 HA ILE 31 3.167 22.066 2.763
229 HB ILE 31 HB ILE 31 1.894 20.777 4.441
230 HG12 ILE 31 HG12 ILE 31 4.912 20.988 5.036
231 HG13 ILE 31 HG13 ILE 31 3.751 22.337 5.073
232 HG21 ILE 31 HG21 ILE 31 4.120 18.642 4.342
233 HG22 ILE 31 HG22 ILE 31 2.661 18.624 5.363
234 HG23 ILE 31 HG23 ILE 31 2.507 18.412 3.621
235 HD11 ILE 31 HD11 ILE 31 4.114 21.634 7.362
236 HD12 ILE 31 HD12 ILE 31 2.457 21.142 6.912
237 HD13 ILE 31 HD13 ILE 31 3.774 19.930 6.992
238 H THR 32 H THR 32 4.077 18.648 1.738
239 HA THR 32 HA THR 32 6.926 19.404 2.089
240 HB THR 32 HB THR 32 5.677 16.787 1.151
241 HG1 THR 32 HG1 THR 32 6.568 17.539 3.775
242 HG21 THR 32 HG21 THR 32 7.899 15.796 1.758
243 HG22 THR 32 HG22 THR 32 8.538 17.428 2.106
244 HG23 THR 32 HG23 THR 32 8.069 16.986 0.438
245 H ASP 33 H ASP 33 4.730 18.162 -0.619
246 HA ASP 33 HA ASP 33 5.060 18.246 -2.907
247 HB2 ASP 33 HB2 ASP 33 4.595 20.694 -2.331
248 HB3 ASP 33 HB3 ASP 33 6.349 20.975 -2.231
Start of MODEL 10
1 H1 HIS 1 H1 HIS 1 -5.868 -11.725 -15.343
2 HA HIS 1 HA HIS 1 -7.336 -13.676 -15.533
3 HB2 HIS 1 HB2 HIS 1 -4.394 -14.169 -16.283
4 HB3 HIS 1 HB3 HIS 1 -5.649 -15.399 -16.573
5 HD1 HIS 1 HD1 HIS 1 -4.777 -11.887 -17.652
6 HD2 HIS 1 HD2 HIS 1 -7.340 -15.084 -18.594
7 HE1 HIS 1 HE1 HIS 1 -5.855 -11.277 -19.859
8 H ALA 2 H ALA 2 -8.171 -15.371 -14.191
9 HA ALA 2 HA ALA 2 -8.208 -16.962 -12.515
10 HB1 ALA 2 HB1 ALA 2 -7.047 -18.103 -14.402
11 HB2 ALA 2 HB2 ALA 2 -5.461 -17.580 -13.764
12 HB3 ALA 2 HB3 ALA 2 -6.480 -18.705 -12.813
13 H ASP 3 H ASP 3 -8.009 -14.900 -11.011
14 HA ASP 3 HA ASP 3 -5.507 -14.865 -9.465
15 HB2 ASP 3 HB2 ASP 3 -8.291 -13.690 -8.873
16 HB3 ASP 3 HB3 ASP 3 -6.859 -13.482 -7.844
17 H GLY 4 H GLY 4 -5.119 -16.170 -7.529
18 HA2 GLY 4 HA2 GLY 4 -7.130 -18.289 -7.005
19 HA3 GLY 4 HA3 GLY 4 -5.500 -18.158 -6.316
20 H SER 5 H SER 5 -7.555 -18.723 -4.523
21 HA SER 5 HA SER 5 -8.661 -16.235 -3.475
22 HB2 SER 5 HB2 SER 5 -9.979 -18.232 -3.154
23 HB3 SER 5 HB3 SER 5 -8.669 -19.065 -2.298
24 HG SER 5 HG SER 5 -9.959 -16.699 -1.315
25 H PHE 6 H PHE 6 -6.515 -18.575 -1.588
26 HA PHE 6 HA PHE 6 -5.397 -16.246 -0.219
27 HB2 PHE 6 HB2 PHE 6 -4.949 -19.259 0.049
28 HB3 PHE 6 HB3 PHE 6 -3.704 -18.152 0.627
29 HD1 PHE 6 HD1 PHE 6 -7.330 -19.017 1.047
30 HD2 PHE 6 HD2 PHE 6 -4.011 -16.731 2.551
31 HE1 PHE 6 HE1 PHE 6 -8.581 -18.556 3.135
32 HE2 PHE 6 HE2 PHE 6 -5.254 -16.291 4.637
33 HZ PHE 6 HZ PHE 6 -7.542 -17.205 4.938
34 H SER 7 H SER 7 -4.437 -18.271 -3.048
35 HA SER 7 HA SER 7 -1.747 -17.790 -2.980
36 HB2 SER 7 HB2 SER 7 -3.398 -18.780 -5.033
37 HB3 SER 7 HB3 SER 7 -2.730 -17.308 -5.771
38 HG SER 7 HG SER 7 -0.603 -18.267 -5.162
39 H ASP 8 H ASP 8 -4.337 -15.493 -4.161
40 HA ASP 8 HA ASP 8 -2.444 -13.417 -4.793
41 HB2 ASP 8 HB2 ASP 8 -5.451 -13.279 -4.155
42 HB3 ASP 8 HB3 ASP 8 -4.458 -11.858 -4.578
43 H GLU 9 H GLU 9 -4.328 -14.141 -1.691
44 HA GLU 9 HA GLU 9 -3.327 -11.769 -0.480
45 HB2 GLU 9 HB2 GLU 9 -4.244 -14.354 0.918
46 HB3 GLU 9 HB3 GLU 9 -3.718 -12.896 1.781
47 HG2 GLU 9 HG2 GLU 9 -6.069 -12.723 1.780
48 HG3 GLU 9 HG3 GLU 9 -5.525 -11.545 0.567
49 H MET 10 H MET 10 -1.388 -14.521 -1.430
50 HA MET 10 HA MET 10 0.410 -14.530 0.749
51 HB2 MET 10 HB2 MET 10 1.029 -14.801 -2.249
52 HB3 MET 10 HB3 MET 10 2.213 -15.108 -0.963
53 HG2 MET 10 HG2 MET 10 -0.435 -16.666 -1.284
54 HG3 MET 10 HG3 MET 10 1.167 -17.258 -1.781
55 HE1 MET 10 HE1 MET 10 2.867 -18.069 1.644
56 HE2 MET 10 HE2 MET 10 3.037 -17.987 -0.139
57 HE3 MET 10 HE3 MET 10 3.120 -16.485 0.849
58 H ASN 11 H ASN 11 -0.035 -12.040 -1.878
59 HA ASN 11 HA ASN 11 2.325 -10.573 -0.802
60 HB2 ASN 11 HB2 ASN 11 0.389 -9.807 -3.047
61 HB3 ASN 11 HB3 ASN 11 1.941 -9.019 -2.671
62 HD21 ASN 11 HD21 ASN 11 3.988 -10.507 -2.767
63 HD22 ASN 11 HD22 ASN 11 3.971 -11.737 -3.978
64 H THR 12 H THR 12 -0.352 -10.977 0.874
65 HA THR 12 HA THR 12 -1.295 -8.235 1.079
66 HB THR 12 HB THR 12 -1.573 -10.617 2.999
67 HG1 THR 12 HG1 THR 12 -3.369 -9.646 0.980
68 HG21 THR 12 HG21 THR 12 -3.574 -9.381 3.884
69 HG22 THR 12 HG22 THR 12 -3.139 -7.958 2.903
70 HG23 THR 12 HG23 THR 12 -2.066 -8.497 4.233
71 H ILE 13 H ILE 13 1.567 -10.033 2.279
72 HA ILE 13 HA ILE 13 1.984 -8.694 4.689
73 HB ILE 13 HB ILE 13 4.149 -9.374 2.609
74 HG12 ILE 13 HG12 ILE 13 3.104 -11.498 3.157
75 HG13 ILE 13 HG13 ILE 13 4.640 -11.385 4.008
76 HG21 ILE 13 HG21 ILE 13 5.020 -7.719 4.206
77 HG22 ILE 13 HG22 ILE 13 4.415 -8.661 5.591
78 HG23 ILE 13 HG23 ILE 13 5.736 -9.301 4.571
79 HD11 ILE 13 HD11 ILE 13 3.366 -10.768 6.146
80 HD12 ILE 13 HD12 ILE 13 1.834 -11.004 5.247
81 HD13 ILE 13 HD13 ILE 13 2.948 -12.370 5.485
82 H LEU 14 H LEU 14 3.042 -7.581 1.343
83 HA LEU 14 HA LEU 14 3.933 -5.097 2.473
84 HB2 LEU 14 HB2 LEU 14 4.409 -4.309 0.268
85 HB3 LEU 14 HB3 LEU 14 4.859 -6.018 0.418
86 HG LEU 14 HG LEU 14 2.470 -6.466 -0.740
87 HD11 LEU 14 HD11 LEU 14 3.023 -3.573 -1.683
88 HD12 LEU 14 HD12 LEU 14 1.634 -4.048 -0.683
89 HD13 LEU 14 HD13 LEU 14 1.774 -4.667 -2.334
90 HD21 LEU 14 HD21 LEU 14 3.539 -6.310 -3.004
91 HD22 LEU 14 HD22 LEU 14 4.654 -7.017 -1.810
92 HD23 LEU 14 HD23 LEU 14 4.847 -5.309 -2.306
93 H ASP 15 H ASP 15 0.699 -6.192 1.213
94 HA ASP 15 HA ASP 15 -0.393 -3.691 0.700
95 HB2 ASP 15 HB2 ASP 15 -1.678 -5.817 0.394
96 HB3 ASP 15 HB3 ASP 15 -1.837 -5.967 2.168
97 H ASN 16 H ASN 16 0.097 -5.287 3.945
98 HA ASN 16 HA ASN 16 -1.356 -3.401 5.454
99 HB2 ASN 16 HB2 ASN 16 1.364 -4.531 6.349
100 HB3 ASN 16 HB3 ASN 16 0.012 -4.038 7.396
101 HD21 ASN 16 HD21 ASN 16 -2.231 -5.425 6.448
102 HD22 ASN 16 HD22 ASN 16 -1.898 -7.116 6.423
103 H LEU 17 H LEU 17 1.981 -3.210 4.088
104 HA LEU 17 HA LEU 17 2.531 -0.684 5.449
105 HB2 LEU 17 HB2 LEU 17 4.014 -1.772 2.987
106 HB3 LEU 17 HB3 LEU 17 4.583 -0.596 4.193
107 HG LEU 17 HG LEU 17 4.172 -3.645 4.584
108 HD11 LEU 17 HD11 LEU 17 6.605 -3.690 4.923
109 HD12 LEU 17 HD12 LEU 17 6.700 -1.916 4.718
110 HD13 LEU 17 HD13 LEU 17 6.228 -2.956 3.341
111 HD21 LEU 17 HD21 LEU 17 4.959 -1.551 6.701
112 HD22 LEU 17 HD22 LEU 17 5.067 -3.324 6.908
113 HD23 LEU 17 HD23 LEU 17 3.476 -2.558 6.706
114 H ALA 18 H ALA 18 1.685 -1.717 2.031
115 HA ALA 18 HA ALA 18 1.879 0.818 0.915
116 HB1 ALA 18 HB1 ALA 18 -0.177 -1.339 0.139
117 HB2 ALA 18 HB2 ALA 18 0.348 0.028 -0.887
118 HB3 ALA 18 HB3 ALA 18 1.514 -1.261 -0.453
119 H ALA 19 H ALA 19 -0.884 -0.670 2.749
120 HA ALA 19 HA ALA 19 -2.913 1.055 2.143
121 HB1 ALA 19 HB1 ALA 19 -3.747 0.760 4.514
122 HB2 ALA 19 HB2 ALA 19 -3.185 -0.784 3.804
123 HB3 ALA 19 HB3 ALA 19 -2.156 0.084 4.979
124 H ARG 20 H ARG 20 -0.206 1.672 4.493
125 HA ARG 20 HA ARG 20 -1.176 4.433 4.933
126 HB2 ARG 20 HB2 ARG 20 0.998 2.714 6.164
127 HB3 ARG 20 HB3 ARG 20 1.248 4.460 6.167
128 HG2 ARG 20 HG2 ARG 20 0.106 3.512 8.235
129 HG3 ARG 20 HG3 ARG 20 -0.680 4.922 7.508
130 HD2 ARG 20 HD2 ARG 20 -2.580 3.765 6.844
131 HD3 ARG 20 HD3 ARG 20 -1.792 2.231 6.565
132 HE ARG 20 HE ARG 20 -2.974 3.196 9.051
133 HH11 ARG 20 HH12 ARG 20 -0.359 1.039 7.767
134 HH12 ARG 20 HH11 ARG 20 -0.436 0.007 9.186
135 HH21 ARG 20 HH22 ARG 20 -2.944 1.823 10.829
136 HH22 ARG 20 HH21 ARG 20 -1.845 0.443 10.887
137 H ASP 21 H ASP 21 1.380 2.832 2.872
138 HA ASP 21 HA ASP 21 2.896 5.095 2.383
139 HB2 ASP 21 HB2 ASP 21 3.359 2.924 1.222
140 HB3 ASP 21 HB3 ASP 21 1.902 3.146 0.212
141 H PHE 22 H PHE 22 -0.331 4.234 0.819
142 HA PHE 22 HA PHE 22 -0.225 6.690 -0.689
143 HB2 PHE 22 HB2 PHE 22 -2.243 6.131 -1.717
144 HB3 PHE 22 HB3 PHE 22 -1.487 4.563 -1.400
145 HD1 PHE 22 HD1 PHE 22 -4.036 7.061 -0.256
146 HD2 PHE 22 HD2 PHE 22 -2.656 3.000 0.159
147 HE1 PHE 22 HE1 PHE 22 -6.121 6.474 0.931
148 HE2 PHE 22 HE2 PHE 22 -4.774 2.412 1.306
149 HZ PHE 22 HZ PHE 22 -6.485 4.150 1.735
150 H ILE 23 H ILE 23 -1.920 5.597 2.376
151 HA ILE 23 HA ILE 23 -3.512 7.914 2.504
152 HB ILE 23 HB ILE 23 -3.189 5.660 4.236
153 HG12 ILE 23 HG12 ILE 23 -5.307 6.547 3.434
154 HG13 ILE 23 HG13 ILE 23 -5.289 6.205 5.174
155 HG21 ILE 23 HG21 ILE 23 -3.174 6.598 6.532
156 HG22 ILE 23 HG22 ILE 23 -1.618 6.868 5.718
157 HG23 ILE 23 HG23 ILE 23 -2.772 8.214 5.896
158 HD11 ILE 23 HD11 ILE 23 -4.986 9.057 4.001
159 HD12 ILE 23 HD12 ILE 23 -6.503 8.342 4.605
160 HD13 ILE 23 HD13 ILE 23 -5.148 8.619 5.725
161 H ASN 24 H ASN 24 -0.142 7.387 3.746
162 HA ASN 24 HA ASN 24 -0.067 10.183 4.692
163 HB2 ASN 24 HB2 ASN 24 1.945 7.874 4.798
164 HB3 ASN 24 HB3 ASN 24 2.493 9.528 5.043
165 HD21 ASN 24 HD21 ASN 24 0.841 6.888 6.717
166 HD22 ASN 24 HD22 ASN 24 0.548 7.808 8.145
167 H TRP 25 H TRP 25 0.009 9.046 1.507
168 HA TRP 25 HA TRP 25 2.116 10.966 0.720
169 HB2 TRP 25 HB2 TRP 25 2.146 9.595 -1.109
170 HB3 TRP 25 HB3 TRP 25 0.563 8.907 -0.748
171 HD1 TRP 25 HD1 TRP 25 1.911 12.230 -2.280
172 HE1 TRP 25 HE1 TRP 25 0.286 12.964 -4.065
173 HE3 TRP 25 HE3 TRP 25 -1.725 8.568 -1.711
174 HZ2 TRP 25 HZ2 TRP 25 -2.113 12.199 -5.154
175 HZ3 TRP 25 HZ3 TRP 25 -3.694 8.652 -3.240
176 HH2 TRP 25 HH2 TRP 25 -3.882 10.434 -4.949
177 H LEU 26 H LEU 26 -1.525 10.746 0.787
178 HA LEU 26 HA LEU 26 -2.117 13.081 -0.561
179 HB2 LEU 26 HB2 LEU 26 -3.428 12.182 2.059
180 HB3 LEU 26 HB3 LEU 26 -4.099 13.398 0.945
181 HG LEU 26 HG LEU 26 -3.734 10.394 0.284
182 HD11 LEU 26 HD11 LEU 26 -6.278 12.048 0.761
183 HD12 LEU 26 HD12 LEU 26 -5.580 10.873 1.915
184 HD13 LEU 26 HD13 LEU 26 -6.204 10.314 0.343
185 HD21 LEU 26 HD21 LEU 26 -5.046 10.926 -1.799
186 HD22 LEU 26 HD22 LEU 26 -3.459 11.712 -1.814
187 HD23 LEU 26 HD23 LEU 26 -4.916 12.668 -1.425
188 H ILE 27 H ILE 27 -1.025 12.829 2.898
189 HA ILE 27 HA ILE 27 -1.318 15.661 3.293
190 HB ILE 27 HB ILE 27 -0.101 15.462 5.376
191 HG12 ILE 27 HG12 ILE 27 0.559 12.878 5.998
192 HG13 ILE 27 HG13 ILE 27 0.874 12.819 4.259
193 HG21 ILE 27 HG21 ILE 27 -2.509 14.755 5.266
194 HG22 ILE 27 HG22 ILE 27 -1.997 13.058 5.045
195 HG23 ILE 27 HG23 ILE 27 -1.602 13.923 6.552
196 HD11 ILE 27 HD11 ILE 27 2.432 14.879 4.594
197 HD12 ILE 27 HD12 ILE 27 2.151 14.692 6.341
198 HD13 ILE 27 HD13 ILE 27 2.954 13.386 5.422
199 H GLN 28 H GLN 28 1.468 13.731 1.983
200 HA GLN 28 HA GLN 28 3.023 16.295 1.965
201 HB2 GLN 28 HB2 GLN 28 5.042 14.929 1.518
202 HB3 GLN 28 HB3 GLN 28 4.304 14.521 3.070
203 HG2 GLN 28 HG2 GLN 28 3.465 12.439 2.247
204 HG3 GLN 28 HG3 GLN 28 3.663 12.880 0.536
205 HE21 GLN 28 HE21 GLN 28 6.014 13.257 -0.247
206 HE22 GLN 28 HE22 GLN 28 7.204 12.227 0.462
207 H THR 29 H THR 29 0.883 16.147 0.061
208 HA THR 29 HA THR 29 2.149 15.241 -2.459
209 HB THR 29 HB THR 29 -0.531 16.621 -1.911
210 HG1 THR 29 HG1 THR 29 -0.250 14.307 -1.341
211 HG21 THR 29 HG21 THR 29 -1.022 16.066 -4.306
212 HG22 THR 29 HG22 THR 29 0.679 15.572 -4.550
213 HG23 THR 29 HG23 THR 29 0.284 17.280 -4.183
214 H LYS 30 H LYS 30 0.953 18.445 -1.100
215 HA LYS 30 HA LYS 30 2.322 19.809 -3.264
216 HB2 LYS 30 HB2 LYS 30 0.171 20.607 -2.283
217 HB3 LYS 30 HB3 LYS 30 0.981 20.893 -0.726
218 HG2 LYS 30 HG2 LYS 30 0.640 23.000 -1.990
219 HG3 LYS 30 HG3 LYS 30 2.361 22.693 -1.670
220 HD2 LYS 30 HD2 LYS 30 1.924 23.623 -3.937
221 HD3 LYS 30 HD3 LYS 30 2.749 22.056 -4.036
222 HE2 LYS 30 HE2 LYS 30 0.638 20.921 -4.680
223 HE3 LYS 30 HE3 LYS 30 -0.302 22.405 -4.365
224 HZ1 LYS 30 HZ1 LYS 30 0.842 23.532 -6.216
225 HZ2 LYS 30 HZ2 LYS 30 0.166 22.040 -6.783
226 HZ3 LYS 30 HZ3 LYS 30 1.878 22.154 -6.472
227 H ILE 31 H ILE 31 3.195 18.995 0.163
228 HA ILE 31 HA ILE 31 5.074 21.015 0.485
229 HB ILE 31 HB ILE 31 4.357 19.335 2.272
230 HG12 ILE 31 HG12 ILE 31 6.562 19.211 3.482
231 HG13 ILE 31 HG13 ILE 31 7.389 19.835 2.035
232 HG21 ILE 31 HG21 ILE 31 4.862 17.267 0.834
233 HG22 ILE 31 HG22 ILE 31 6.593 17.545 1.140
234 HG23 ILE 31 HG23 ILE 31 5.499 17.202 2.502
235 HD11 ILE 31 HD11 ILE 31 6.904 21.582 3.827
236 HD12 ILE 31 HD12 ILE 31 6.159 22.019 2.276
237 HD13 ILE 31 HD13 ILE 31 5.156 21.326 3.586
238 H THR 32 H THR 32 5.424 17.927 -1.376
239 HA THR 32 HA THR 32 8.136 18.900 -2.246
240 HB THR 32 HB THR 32 7.159 16.016 -1.875
241 HG1 THR 32 HG1 THR 32 9.082 17.511 -0.379
242 HG21 THR 32 HG21 THR 32 8.748 16.212 -3.823
243 HG22 THR 32 HG22 THR 32 9.532 15.416 -2.431
244 HG23 THR 32 HG23 THR 32 9.897 17.125 -2.803
245 H ASP 33 H ASP 33 5.349 16.716 -3.374
246 HA ASP 33 HA ASP 33 4.384 16.600 -5.451
247 HB2 ASP 33 HB2 ASP 33 4.130 19.128 -4.909
248 HB3 ASP 33 HB3 ASP 33 5.486 19.417 -6.024