Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586822 | 2mr9 RC | 25066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -18.150 0.044 -2.962
2 H2 GLY 1 2HT GLY 1 -18.733 1.577 -2.535
3 H3 GLY 1 3HT GLY 1 -18.098 0.550 -1.348
4 HA2 GLY 1 1HA GLY 1 -16.556 1.702 -3.604
5 HA3 GLY 1 2HA GLY 1 -16.545 2.327 -1.958
6 H SER 2 H SER 2 -15.478 -0.206 -4.084
7 HA SER 2 HA SER 2 -14.209 -1.726 -1.997
8 HB2 SER 2 2HB SER 2 -13.208 -2.959 -3.993
9 HB3 SER 2 1HB SER 2 -14.969 -2.986 -3.863
10 HG SER 2 HG SER 2 -13.314 -1.673 -5.698
11 H ALA 3 H ALA 3 -12.988 0.010 -1.076
12 HA ALA 3 HA ALA 3 -10.614 0.771 -2.639
13 HB1 ALA 3 1HB ALA 3 -11.818 2.124 -0.220
14 HB2 ALA 3 2HB ALA 3 -11.954 2.672 -1.893
15 HB3 ALA 3 3HB ALA 3 -10.382 2.660 -1.094
16 H THR 4 H THR 4 -9.439 -1.099 -2.224
17 HA THR 4 HA THR 4 -9.001 -2.087 0.393
18 HB THR 4 HB THR 4 -7.069 -2.657 -1.767
19 HG1 THR 4 1HG THR 4 -9.099 -2.682 -2.843
20 HG21 THR 4 3HG2 THR 4 -7.239 -4.937 -0.895
21 HG22 THR 4 1HG2 THR 4 -8.513 -4.427 0.211
22 HG23 THR 4 2HG2 THR 4 -6.877 -3.795 0.401
23 H PHE 5 H PHE 5 -7.734 0.266 -1.439
24 HA PHE 5 HA PHE 5 -5.404 0.612 0.216
25 HB2 PHE 5 2HB PHE 5 -5.752 1.697 -2.498
26 HB3 PHE 5 1HB PHE 5 -4.296 1.374 -1.641
27 HD1 PHE 5 1HD PHE 5 -4.171 -0.753 -0.882
28 HD2 PHE 5 2HD PHE 5 -6.514 0.084 -4.169
29 HE1 PHE 5 1HE PHE 5 -4.109 -3.001 -1.415
30 HE2 PHE 5 2HE PHE 5 -6.432 -2.337 -4.813
31 HZ PHE 5 HZ PHE 5 -5.143 -3.878 -3.269
32 HA PRO 6 HA PRO 6 -7.757 4.080 1.557
33 HB2 PRO 6 2HB PRO 6 -6.742 4.100 4.017
34 HB3 PRO 6 1HB PRO 6 -7.872 2.892 3.450
35 HG2 PRO 6 2HG PRO 6 -5.076 2.621 3.974
36 HG3 PRO 6 1HG PRO 6 -6.361 1.421 3.988
37 HD2 PRO 6 2HD PRO 6 -4.499 1.997 1.928
38 HD3 PRO 6 1HD PRO 6 -5.752 0.769 1.913
39 H GLU 7 H GLU 7 -7.284 6.037 0.904
40 HA GLU 7 HA GLU 7 -4.972 6.836 -0.219
41 HB2 GLU 7 2HB GLU 7 -6.926 8.672 1.157
42 HB3 GLU 7 1HB GLU 7 -5.827 9.090 -0.144
43 HG2 GLU 7 2HG GLU 7 -6.981 7.572 -1.645
44 HG3 GLU 7 1HG GLU 7 -8.083 7.121 -0.345
45 H GLN 8 H GLN 8 -5.912 7.648 3.130
46 HA GLN 8 HA GLN 8 -3.818 9.139 3.996
47 HB2 GLN 8 2HB GLN 8 -5.545 8.535 5.529
48 HB3 GLN 8 1HB GLN 8 -5.171 6.830 5.358
49 HG2 GLN 8 2HG GLN 8 -3.101 7.092 6.512
50 HG3 GLN 8 1HG GLN 8 -3.305 8.832 6.548
51 HE21 GLN 8 1HE2 GLN 8 -5.924 6.595 7.137
52 HE22 GLN 8 2HE2 GLN 8 -6.097 6.949 8.817
53 H THR 9 H THR 9 -3.806 5.610 4.149
54 HA THR 9 HA THR 9 -1.141 5.400 4.841
55 HB THR 9 HB THR 9 -1.435 3.063 4.678
56 HG1 THR 9 1HG THR 9 -3.630 3.770 3.058
57 HG21 THR 9 3HG2 THR 9 -2.507 4.077 6.598
58 HG22 THR 9 1HG2 THR 9 -3.482 2.724 6.025
59 HG23 THR 9 2HG2 THR 9 -3.960 4.379 5.646
60 H ILE 10 H ILE 10 -2.775 5.457 1.870
61 HA ILE 10 HA ILE 10 -0.952 4.254 0.160
62 HB ILE 10 HB ILE 10 -2.910 6.473 -0.295
63 HG12 ILE 10 2HG1 ILE 10 -2.940 3.554 -1.048
64 HG13 ILE 10 1HG1 ILE 10 -3.850 4.284 0.270
65 HG21 ILE 10 1HG2 ILE 10 -1.306 4.943 -2.323
66 HG22 ILE 10 2HG2 ILE 10 -1.098 6.643 -1.905
67 HG23 ILE 10 3HG2 ILE 10 -2.587 6.098 -2.677
68 HD11 ILE 10 3HD1 ILE 10 -4.151 4.919 -2.635
69 HD12 ILE 10 1HD1 ILE 10 -5.058 5.648 -1.312
70 HD13 ILE 10 2HD1 ILE 10 -5.239 3.929 -1.662
71 H LYS 11 H LYS 11 -1.480 7.546 1.102
72 HA LYS 11 HA LYS 11 0.798 8.543 -0.187
73 HB2 LYS 11 2HB LYS 11 -0.773 9.806 2.021
74 HB3 LYS 11 1HB LYS 11 0.120 10.628 0.735
75 HG2 LYS 11 2HG LYS 11 -1.478 9.259 -0.815
76 HG3 LYS 11 1HG LYS 11 -2.463 9.143 0.633
77 HD2 LYS 11 2HD LYS 11 -2.551 11.573 0.813
78 HD3 LYS 11 1HD LYS 11 -1.579 11.718 -0.656
79 HE2 LYS 11 2HE LYS 11 -3.290 10.620 -1.950
80 HE3 LYS 11 1HE LYS 11 -4.232 10.294 -0.500
81 HZ1 LYS 11 3HZ LYS 11 -4.670 12.610 -0.235
82 HZ2 LYS 11 1HZ LYS 11 -5.056 12.180 -1.828
83 HZ3 LYS 11 2HZ LYS 11 -3.622 13.021 -1.506
84 H GLN 12 H GLN 12 0.199 7.119 2.959
85 HA GLN 12 HA GLN 12 2.592 7.975 4.157
86 HB2 GLN 12 2HB GLN 12 0.502 5.909 4.587
87 HB3 GLN 12 1HB GLN 12 1.971 5.822 5.487
88 HG2 GLN 12 2HG GLN 12 -0.006 8.059 5.471
89 HG3 GLN 12 1HG GLN 12 0.346 6.961 6.803
90 HE21 GLN 12 1HE2 GLN 12 1.456 9.676 4.956
91 HE22 GLN 12 2HE2 GLN 12 2.682 10.187 6.061
92 H LEU 13 H LEU 13 1.761 5.427 1.967
93 HA LEU 13 HA LEU 13 4.204 3.975 2.432
94 HB2 LEU 13 2HB LEU 13 1.976 3.493 0.475
95 HB3 LEU 13 1HB LEU 13 3.296 2.406 0.814
96 HG LEU 13 HG LEU 13 1.173 3.260 2.721
97 HD11 LEU 13 1HD1 LEU 13 0.378 1.627 1.107
98 HD12 LEU 13 2HD1 LEU 13 0.516 0.893 2.705
99 HD13 LEU 13 3HD1 LEU 13 1.743 0.575 1.480
100 HD21 LEU 13 3HD2 LEU 13 3.495 1.411 3.173
101 HD22 LEU 13 1HD2 LEU 13 2.176 1.702 4.306
102 HD23 LEU 13 2HD2 LEU 13 3.274 3.014 3.878
103 H MET 14 H MET 14 2.535 5.695 -0.177
104 HA MET 14 HA MET 14 4.623 6.066 -1.937
105 HB2 MET 14 2HB MET 14 2.408 7.875 -1.003
106 HB3 MET 14 1HB MET 14 3.446 8.232 -2.373
107 HG2 MET 14 2HG MET 14 1.184 6.476 -2.196
108 HG3 MET 14 1HG MET 14 2.008 7.153 -3.563
109 HE1 MET 14 3HE MET 14 2.145 2.936 -2.235
110 HE2 MET 14 1HE MET 14 0.806 4.076 -2.381
111 HE3 MET 14 2HE MET 14 1.951 4.225 -1.047
112 H ASP 15 H ASP 15 3.939 7.462 1.119
113 HA ASP 15 HA ASP 15 5.810 9.517 1.247
114 HB2 ASP 15 2HB ASP 15 3.938 8.912 2.892
115 HB3 ASP 15 1HB ASP 15 5.067 7.744 3.555
116 H LEU 16 H LEU 16 6.188 5.956 1.738
117 HA LEU 16 HA LEU 16 8.868 6.259 2.675
118 HB2 LEU 16 2HB LEU 16 7.769 3.868 1.251
119 HB3 LEU 16 1HB LEU 16 8.963 3.935 2.521
120 HG LEU 16 HG LEU 16 6.087 4.598 2.892
121 HD11 LEU 16 1HD1 LEU 16 7.533 2.054 3.437
122 HD12 LEU 16 2HD1 LEU 16 6.181 2.340 2.336
123 HD13 LEU 16 3HD1 LEU 16 5.939 2.460 4.076
124 HD21 LEU 16 3HD2 LEU 16 8.276 4.123 4.898
125 HD22 LEU 16 1HD2 LEU 16 6.583 4.430 5.280
126 HD23 LEU 16 2HD2 LEU 16 7.555 5.686 4.511
127 H GLY 17 H GLY 17 7.427 6.751 -0.315
128 HA2 GLY 17 2HA GLY 17 8.780 7.802 -2.027
129 HA3 GLY 17 1HA GLY 17 10.054 6.652 -1.650
130 H PHE 18 H PHE 18 6.808 5.437 -1.782
131 HA PHE 18 HA PHE 18 7.630 3.849 -4.077
132 HB2 PHE 18 2HB PHE 18 5.470 3.538 -2.021
133 HB3 PHE 18 1HB PHE 18 5.810 2.356 -3.255
134 HD1 PHE 18 2HD PHE 18 8.688 2.246 -3.408
135 HD2 PHE 18 1HD PHE 18 6.084 2.739 -0.179
136 HE1 PHE 18 2HE PHE 18 10.405 1.338 -1.882
137 HE2 PHE 18 1HE PHE 18 7.686 1.905 1.320
138 HZ PHE 18 HZ PHE 18 9.858 1.188 0.521
139 HA PRO 19 HA PRO 19 4.299 5.367 -6.704
140 HB2 PRO 19 2HB PRO 19 3.801 3.282 -8.197
141 HB3 PRO 19 1HB PRO 19 5.455 3.901 -8.164
142 HG2 PRO 19 2HG PRO 19 4.309 1.688 -6.527
143 HG3 PRO 19 1HG PRO 19 5.671 1.673 -7.647
144 HD2 PRO 19 2HD PRO 19 6.054 2.083 -4.989
145 HD3 PRO 19 1HD PRO 19 7.052 2.898 -6.222
146 H ARG 20 H ARG 20 2.089 4.990 -7.182
147 HA ARG 20 HA ARG 20 0.543 4.311 -4.900
148 HB2 ARG 20 2HB ARG 20 -0.201 6.040 -6.419
149 HB3 ARG 20 1HB ARG 20 -0.231 4.908 -7.757
150 HG2 ARG 20 2HG ARG 20 -2.078 3.813 -6.976
151 HG3 ARG 20 1HG ARG 20 -1.878 4.429 -5.345
152 HD2 ARG 20 2HD ARG 20 -2.248 6.734 -6.433
153 HD3 ARG 20 1HD ARG 20 -2.928 5.816 -7.775
154 HE ARG 20 HE ARG 20 -4.188 4.851 -5.535
155 HH11 ARG 20 1HH1 ARG 20 -3.900 7.969 -7.118
156 HH12 ARG 20 2HH1 ARG 20 -5.424 8.549 -6.507
157 HH21 ARG 20 1HH2 ARG 20 -6.160 5.621 -4.709
158 HH22 ARG 20 2HH2 ARG 20 -6.694 7.237 -5.105
159 H ASP 21 H ASP 21 1.366 2.902 -7.884
160 HA ASP 21 HA ASP 21 -0.128 0.586 -8.028
161 HB2 ASP 21 2HB ASP 21 1.330 1.197 -9.815
162 HB3 ASP 21 1HB ASP 21 2.742 1.159 -8.768
163 H ALA 22 H ALA 22 2.589 1.335 -5.924
164 HA ALA 22 HA ALA 22 3.079 -1.342 -5.083
165 HB1 ALA 22 1HB ALA 22 4.793 0.395 -4.928
166 HB2 ALA 22 2HB ALA 22 4.481 -0.350 -3.359
167 HB3 ALA 22 3HB ALA 22 3.820 1.243 -3.727
168 H VAL 23 H VAL 23 1.036 1.301 -3.851
169 HA VAL 23 HA VAL 23 0.343 0.054 -1.416
170 HB VAL 23 HB VAL 23 -0.159 2.489 -2.526
171 HG11 VAL 23 1HG1 VAL 23 -1.925 1.756 -3.923
172 HG12 VAL 23 2HG1 VAL 23 -2.615 2.733 -2.618
173 HG13 VAL 23 3HG1 VAL 23 -2.732 0.970 -2.567
174 HG21 VAL 23 3HG2 VAL 23 -0.563 2.941 -0.410
175 HG22 VAL 23 1HG2 VAL 23 -0.594 1.200 -0.094
176 HG23 VAL 23 2HG2 VAL 23 -2.103 2.038 -0.489
177 H VAL 24 H VAL 24 -0.984 0.062 -4.562
178 HA VAL 24 HA VAL 24 -3.161 -1.540 -3.861
179 HB VAL 24 HB VAL 24 -1.982 -0.727 -6.485
180 HG11 VAL 24 1HG1 VAL 24 -4.011 -1.691 -7.555
181 HG12 VAL 24 2HG1 VAL 24 -4.453 -2.415 -6.005
182 HG13 VAL 24 3HG1 VAL 24 -2.984 -2.933 -6.833
183 HG21 VAL 24 3HG2 VAL 24 -4.352 0.375 -6.471
184 HG22 VAL 24 1HG2 VAL 24 -3.040 1.063 -5.503
185 HG23 VAL 24 2HG2 VAL 24 -4.266 0.053 -4.727
186 H LYS 25 H LYS 25 -0.082 -2.453 -5.441
187 HA LYS 25 HA LYS 25 -0.847 -5.146 -5.761
188 HB2 LYS 25 2HB LYS 25 1.821 -3.779 -5.531
189 HB3 LYS 25 1HB LYS 25 1.713 -5.530 -5.639
190 HG2 LYS 25 2HG LYS 25 0.743 -5.428 -7.795
191 HG3 LYS 25 1HG LYS 25 0.476 -3.687 -7.666
192 HD2 LYS 25 2HD LYS 25 2.863 -3.295 -7.662
193 HD3 LYS 25 1HD LYS 25 3.177 -5.032 -7.702
194 HE2 LYS 25 2HE LYS 25 2.307 -5.236 -9.890
195 HE3 LYS 25 1HE LYS 25 1.597 -3.623 -9.838
196 HZ1 LYS 25 3HZ LYS 25 3.912 -2.755 -9.669
197 HZ2 LYS 25 1HZ LYS 25 3.549 -3.505 -11.145
198 HZ3 LYS 25 2HZ LYS 25 4.480 -4.325 -9.992
199 H ALA 26 H ALA 26 0.566 -3.372 -3.050
200 HA ALA 26 HA ALA 26 1.206 -5.868 -1.742
201 HB1 ALA 26 1HB ALA 26 2.212 -4.462 -0.021
202 HB2 ALA 26 2HB ALA 26 1.573 -3.024 -0.821
203 HB3 ALA 26 3HB ALA 26 2.787 -4.016 -1.628
204 H LEU 27 H LEU 27 -1.083 -3.190 -1.378
205 HA LEU 27 HA LEU 27 -1.998 -4.292 1.089
206 HB2 LEU 27 2HB LEU 27 -3.187 -2.194 -0.700
207 HB3 LEU 27 1HB LEU 27 -3.826 -2.622 0.863
208 HG LEU 27 HG LEU 27 -2.389 -0.504 0.524
209 HD11 LEU 27 1HD1 LEU 27 -1.848 -2.385 2.769
210 HD12 LEU 27 2HD1 LEU 27 -3.218 -1.283 2.657
211 HD13 LEU 27 3HD1 LEU 27 -1.581 -0.644 2.805
212 HD21 LEU 27 3HD2 LEU 27 -0.052 -0.765 0.899
213 HD22 LEU 27 1HD2 LEU 27 -0.593 -1.568 -0.584
214 HD23 LEU 27 2HD2 LEU 27 -0.271 -2.522 0.862
215 H LYS 28 H LYS 28 -2.841 -4.544 -2.325
216 HA LYS 28 HA LYS 28 -5.251 -5.854 -2.070
217 HB2 LYS 28 2HB LYS 28 -3.468 -5.357 -4.133
218 HB3 LYS 28 1HB LYS 28 -3.630 -7.101 -4.125
219 HG2 LYS 28 2HG LYS 28 -5.340 -5.122 -5.219
220 HG3 LYS 28 1HG LYS 28 -5.497 -6.878 -5.298
221 HD2 LYS 28 2HD LYS 28 -6.697 -6.844 -3.159
222 HD3 LYS 28 1HD LYS 28 -6.509 -5.092 -3.108
223 HE2 LYS 28 2HE LYS 28 -7.804 -4.889 -5.176
224 HE3 LYS 28 1HE LYS 28 -7.997 -6.639 -5.219
225 HZ1 LYS 28 3HZ LYS 28 -8.992 -4.888 -3.034
226 HZ2 LYS 28 1HZ LYS 28 -9.256 -6.555 -3.194
227 HZ3 LYS 28 2HZ LYS 28 -9.942 -5.473 -4.308
228 H GLN 29 H GLN 29 -1.927 -7.283 -1.916
229 HA GLN 29 HA GLN 29 -3.055 -9.902 -1.621
230 HB2 GLN 29 2HB GLN 29 -0.762 -10.547 -1.247
231 HB3 GLN 29 1HB GLN 29 -0.918 -9.520 -2.621
232 HG2 GLN 29 2HG GLN 29 -0.257 -7.650 -1.011
233 HG3 GLN 29 1HG GLN 29 0.345 -8.982 -0.035
234 HE21 GLN 29 1HE2 GLN 29 1.725 -6.823 -1.496
235 HE22 GLN 29 2HE2 GLN 29 2.844 -7.612 -2.537
236 H THR 30 H THR 30 -2.078 -7.394 0.519
237 HA THR 30 HA THR 30 -2.354 -9.021 2.911
238 HB THR 30 HB THR 30 -1.829 -6.879 4.056
239 HG1 THR 30 1HG THR 30 -1.199 -5.782 1.557
240 HG21 THR 30 3HG2 THR 30 0.499 -6.745 3.312
241 HG22 THR 30 1HG2 THR 30 0.081 -7.628 1.841
242 HG23 THR 30 2HG2 THR 30 -0.024 -8.428 3.413
243 H ASN 31 H ASN 31 -4.459 -7.582 0.917
244 HA ASN 31 HA ASN 31 -6.410 -6.489 0.929
245 HB2 ASN 31 2HB ASN 31 -6.704 -8.036 3.510
246 HB3 ASN 31 1HB ASN 31 -8.012 -7.083 2.815
247 HD21 ASN 31 1HD2 ASN 31 -6.164 -9.977 2.633
248 HD22 ASN 31 2HD2 ASN 31 -7.061 -10.723 1.345
249 H GLY 32 H GLY 32 -4.592 -4.675 1.422
250 HA2 GLY 32 2HA GLY 32 -4.754 -2.481 1.860
251 HA3 GLY 32 1HA GLY 32 -6.327 -2.770 2.576
252 H ASN 33 H ASN 33 -3.994 -4.628 4.377
253 HA ASN 33 HA ASN 33 -4.195 -2.602 6.371
254 HB2 ASN 33 2HB ASN 33 -3.466 -4.207 7.920
255 HB3 ASN 33 1HB ASN 33 -4.631 -4.960 6.883
256 HD21 ASN 33 1HD2 ASN 33 -2.288 -5.079 4.876
257 HD22 ASN 33 2HD2 ASN 33 -1.484 -6.526 5.363
258 H ALA 34 H ALA 34 -2.898 -1.043 6.612
259 HA ALA 34 HA ALA 34 -1.103 -0.419 4.664
260 HB1 ALA 34 1HB ALA 34 -0.541 1.535 5.929
261 HB2 ALA 34 2HB ALA 34 -1.120 0.782 7.414
262 HB3 ALA 34 3HB ALA 34 -2.258 1.184 6.127
263 H GLU 35 H GLU 35 -0.004 -1.013 8.029
264 HA GLU 35 HA GLU 35 2.573 -0.664 7.473
265 HB2 GLU 35 2HB GLU 35 1.100 -1.951 9.644
266 HB3 GLU 35 1HB GLU 35 2.840 -2.031 9.617
267 HG2 GLU 35 2HG GLU 35 1.321 0.489 9.387
268 HG3 GLU 35 1HG GLU 35 1.807 -0.202 10.908
269 H PHE 36 H PHE 36 0.704 -3.447 7.471
270 HA PHE 36 HA PHE 36 2.712 -5.385 7.191
271 HB2 PHE 36 2HB PHE 36 -0.238 -5.217 6.808
272 HB3 PHE 36 1HB PHE 36 0.577 -6.642 6.205
273 HD1 PHE 36 1HD PHE 36 0.816 -4.478 9.180
274 HD2 PHE 36 2HD PHE 36 0.435 -8.446 7.722
275 HE1 PHE 36 1HE PHE 36 0.832 -5.260 11.410
276 HE2 PHE 36 2HE PHE 36 0.443 -9.283 10.046
277 HZ PHE 36 HZ PHE 36 0.644 -7.682 11.918
278 H ALA 37 H ALA 37 0.652 -3.691 4.892
279 HA ALA 37 HA ALA 37 1.607 -5.187 2.675
280 HB1 ALA 37 1HB ALA 37 0.300 -3.655 1.397
281 HB2 ALA 37 2HB ALA 37 0.141 -2.599 2.800
282 HB3 ALA 37 3HB ALA 37 -0.590 -4.202 2.815
283 H ALA 38 H ALA 38 2.436 -2.091 4.109
284 HA ALA 38 HA ALA 38 4.221 -1.131 2.236
285 HB1 ALA 38 1HB ALA 38 3.593 0.102 4.248
286 HB2 ALA 38 2HB ALA 38 5.344 -0.018 4.089
287 HB3 ALA 38 3HB ALA 38 4.490 -1.049 5.238
288 H SER 39 H SER 39 4.618 -3.553 4.747
289 HA SER 39 HA SER 39 7.429 -3.883 4.334
290 HB2 SER 39 2HB SER 39 5.413 -5.636 5.758
291 HB3 SER 39 1HB SER 39 7.167 -5.803 5.865
292 HG SER 39 HG SER 39 7.120 -3.542 6.646
293 H LEU 40 H LEU 40 4.531 -4.968 2.942
294 HA LEU 40 HA LEU 40 5.601 -7.288 1.682
295 HB2 LEU 40 2HB LEU 40 3.072 -6.148 2.199
296 HB3 LEU 40 1HB LEU 40 3.273 -6.118 0.494
297 HG LEU 40 HG LEU 40 2.132 -8.146 1.012
298 HD11 LEU 40 1HD1 LEU 40 5.042 -8.763 0.541
299 HD12 LEU 40 2HD1 LEU 40 3.834 -8.414 -0.695
300 HD13 LEU 40 3HD1 LEU 40 3.703 -9.879 0.277
301 HD21 LEU 40 3HD2 LEU 40 3.007 -9.775 2.613
302 HD22 LEU 40 1HD2 LEU 40 2.668 -8.227 3.386
303 HD23 LEU 40 2HD2 LEU 40 4.330 -8.678 3.006
304 H LEU 41 H LEU 41 4.744 -3.902 0.823
305 HA LEU 41 HA LEU 41 5.298 -4.307 -1.910
306 HB2 LEU 41 2HB LEU 41 4.842 -2.046 -2.212
307 HB3 LEU 41 1HB LEU 41 3.791 -2.606 -0.930
308 HG LEU 41 HG LEU 41 5.422 -1.586 0.687
309 HD11 LEU 41 1HD1 LEU 41 7.264 -1.518 -0.863
310 HD12 LEU 41 2HD1 LEU 41 6.932 0.048 -0.115
311 HD13 LEU 41 3HD1 LEU 41 6.432 -0.263 -1.781
312 HD21 LEU 41 3HD2 LEU 41 4.517 0.648 0.350
313 HD22 LEU 41 1HD2 LEU 41 3.292 -0.601 0.136
314 HD23 LEU 41 2HD2 LEU 41 4.007 0.182 -1.273
315 H PHE 42 H PHE 42 7.101 -3.613 0.842
316 HA PHE 42 HA PHE 42 9.399 -2.433 0.037
317 HB2 PHE 42 2HB PHE 42 8.539 -4.047 2.239
318 HB3 PHE 42 1HB PHE 42 10.193 -4.464 1.801
319 HD1 PHE 42 1HD PHE 42 7.921 -1.780 2.399
320 HD2 PHE 42 2HD PHE 42 11.956 -3.021 2.506
321 HE1 PHE 42 1HE PHE 42 8.525 0.320 3.413
322 HE2 PHE 42 2HE PHE 42 12.604 -0.888 3.574
323 HZ PHE 42 HZ PHE 42 10.868 0.812 4.036
324 H GLN 43 H GLN 43 8.195 -5.646 -0.714
325 HA GLN 43 HA GLN 43 10.660 -6.944 -1.177
326 HB2 GLN 43 2HB GLN 43 9.434 -8.754 -1.710
327 HB3 GLN 43 1HB GLN 43 8.078 -7.784 -1.167
328 HG2 GLN 43 2HG GLN 43 8.835 -7.441 -3.993
329 HG3 GLN 43 1HG GLN 43 8.216 -9.030 -3.564
330 HE21 GLN 43 1HE2 GLN 43 6.310 -8.348 -1.678
331 HE22 GLN 43 2HE2 GLN 43 5.076 -7.397 -2.418
332 H SER 44 H SER 44 8.916 -4.715 -3.064
333 HA SER 44 HA SER 44 10.784 -5.139 -5.300
334 HB2 SER 44 2HB SER 44 7.945 -4.083 -5.409
335 HB3 SER 44 1HB SER 44 9.043 -4.170 -6.784
336 HG SER 44 HG SER 44 7.831 -6.267 -5.333
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -10.614 7.041 -1.119
2 H2 GLY 1 2HT GLY 1 -11.675 6.592 0.127
3 H3 GLY 1 3HT GLY 1 -11.934 8.031 -0.723
4 HA2 GLY 1 1HA GLY 1 -13.491 6.373 -1.460
5 HA3 GLY 1 2HA GLY 1 -12.370 6.784 -2.750
6 H SER 2 H SER 2 -11.761 4.720 0.069
7 HA SER 2 HA SER 2 -12.087 2.236 -1.207
8 HB2 SER 2 2HB SER 2 -10.173 2.984 -2.588
9 HB3 SER 2 1HB SER 2 -9.223 3.242 -1.126
10 HG SER 2 HG SER 2 -10.356 0.725 -1.809
11 H ALA 3 H ALA 3 -11.437 0.485 0.153
12 HA ALA 3 HA ALA 3 -10.847 1.314 2.918
13 HB1 ALA 3 1HB ALA 3 -12.159 -1.209 1.903
14 HB2 ALA 3 2HB ALA 3 -12.968 0.152 2.680
15 HB3 ALA 3 3HB ALA 3 -11.831 -0.838 3.595
16 H THR 4 H THR 4 -9.758 -0.507 0.217
17 HA THR 4 HA THR 4 -7.763 -1.937 1.690
18 HB THR 4 HB THR 4 -7.169 -2.646 -0.757
19 HG1 THR 4 1HG THR 4 -9.271 -2.642 -1.923
20 HG21 THR 4 3HG2 THR 4 -9.642 -3.608 0.688
21 HG22 THR 4 1HG2 THR 4 -7.996 -4.181 0.959
22 HG23 THR 4 2HG2 THR 4 -8.791 -4.484 -0.586
23 H PHE 5 H PHE 5 -7.917 0.282 -0.758
24 HA PHE 5 HA PHE 5 -5.083 1.027 -0.554
25 HB2 PHE 5 2HB PHE 5 -6.964 1.319 -2.757
26 HB3 PHE 5 1HB PHE 5 -5.213 1.335 -2.909
27 HD1 PHE 5 1HD PHE 5 -4.590 -0.923 -1.314
28 HD2 PHE 5 2HD PHE 5 -7.670 -0.504 -4.163
29 HE1 PHE 5 1HE PHE 5 -4.609 -3.196 -1.591
30 HE2 PHE 5 2HE PHE 5 -7.677 -2.977 -4.441
31 HZ PHE 5 HZ PHE 5 -6.077 -4.307 -3.043
32 HA PRO 6 HA PRO 6 -8.077 4.873 -0.134
33 HB2 PRO 6 2HB PRO 6 -7.816 5.314 2.516
34 HB3 PRO 6 1HB PRO 6 -9.063 4.316 1.794
35 HG2 PRO 6 2HG PRO 6 -6.554 3.473 3.003
36 HG3 PRO 6 1HG PRO 6 -8.184 2.839 3.197
37 HD2 PRO 6 2HD PRO 6 -6.444 1.663 1.552
38 HD3 PRO 6 1HD PRO 6 -8.139 1.730 1.142
39 H GLU 7 H GLU 7 -7.470 6.951 0.101
40 HA GLU 7 HA GLU 7 -4.971 7.629 -0.739
41 HB2 GLU 7 2HB GLU 7 -6.895 9.393 0.758
42 HB3 GLU 7 1HB GLU 7 -5.615 9.929 -0.308
43 HG2 GLU 7 2HG GLU 7 -7.335 10.060 -1.757
44 HG3 GLU 7 1HG GLU 7 -6.909 8.372 -2.004
45 H GLN 8 H GLN 8 -6.122 7.601 2.620
46 HA GLN 8 HA GLN 8 -3.949 8.759 3.892
47 HB2 GLN 8 2HB GLN 8 -5.092 6.220 4.997
48 HB3 GLN 8 1HB GLN 8 -4.620 7.686 5.842
49 HG2 GLN 8 2HG GLN 8 -6.598 8.659 4.399
50 HG3 GLN 8 1HG GLN 8 -7.144 6.996 4.502
51 HE21 GLN 8 1HE2 GLN 8 -5.912 6.539 7.086
52 HE22 GLN 8 2HE2 GLN 8 -6.893 7.370 8.243
53 H THR 9 H THR 9 -4.426 5.325 3.277
54 HA THR 9 HA THR 9 -1.865 4.568 3.979
55 HB THR 9 HB THR 9 -2.437 2.409 3.025
56 HG1 THR 9 1HG THR 9 -4.225 3.863 1.632
57 HG21 THR 9 3HG2 THR 9 -3.168 2.923 5.281
58 HG22 THR 9 1HG2 THR 9 -4.357 1.910 4.462
59 HG23 THR 9 2HG2 THR 9 -4.645 3.641 4.637
60 H ILE 10 H ILE 10 -3.332 5.440 1.030
61 HA ILE 10 HA ILE 10 -1.440 4.804 -0.860
62 HB ILE 10 HB ILE 10 -3.137 7.297 -0.589
63 HG12 ILE 10 2HG1 ILE 10 -4.265 5.047 -0.971
64 HG13 ILE 10 1HG1 ILE 10 -4.659 6.331 -2.105
65 HG21 ILE 10 1HG2 ILE 10 -1.520 6.401 -2.949
66 HG22 ILE 10 2HG2 ILE 10 -1.208 7.804 -1.932
67 HG23 ILE 10 3HG2 ILE 10 -2.656 7.747 -2.936
68 HD11 ILE 10 3HD1 ILE 10 -4.358 4.255 -3.266
69 HD12 ILE 10 1HD1 ILE 10 -2.757 4.058 -2.555
70 HD13 ILE 10 2HD1 ILE 10 -3.060 5.370 -3.695
71 H LYS 11 H LYS 11 -1.783 7.790 0.978
72 HA LYS 11 HA LYS 11 0.683 8.711 0.016
73 HB2 LYS 11 2HB LYS 11 -1.088 9.783 2.178
74 HB3 LYS 11 1HB LYS 11 0.313 10.629 1.533
75 HG2 LYS 11 2HG LYS 11 -0.670 10.750 -0.632
76 HG3 LYS 11 1HG LYS 11 -2.007 9.701 -0.139
77 HD2 LYS 11 2HD LYS 11 -2.909 11.382 1.263
78 HD3 LYS 11 1HD LYS 11 -1.437 12.355 1.168
79 HE2 LYS 11 2HE LYS 11 -3.351 11.779 -1.093
80 HE3 LYS 11 1HE LYS 11 -3.198 13.306 -0.223
81 HZ1 LYS 11 3HZ LYS 11 -1.142 12.031 -1.951
82 HZ2 LYS 11 1HZ LYS 11 -0.871 13.413 -1.007
83 HZ3 LYS 11 2HZ LYS 11 -1.999 13.460 -2.268
84 H GLN 12 H GLN 12 -0.191 7.006 2.929
85 HA GLN 12 HA GLN 12 2.154 7.525 4.328
86 HB2 GLN 12 2HB GLN 12 -0.055 5.550 4.311
87 HB3 GLN 12 1HB GLN 12 1.387 5.132 5.179
88 HG2 GLN 12 2HG GLN 12 -0.431 7.452 5.644
89 HG3 GLN 12 1HG GLN 12 -0.107 6.100 6.725
90 HE21 GLN 12 1HE2 GLN 12 1.060 9.104 5.461
91 HE22 GLN 12 2HE2 GLN 12 2.332 9.330 6.609
92 H LEU 13 H LEU 13 1.311 5.194 1.860
93 HA LEU 13 HA LEU 13 3.719 3.686 2.352
94 HB2 LEU 13 2HB LEU 13 1.431 3.132 0.490
95 HB3 LEU 13 1HB LEU 13 2.733 2.043 0.898
96 HG LEU 13 HG LEU 13 0.718 3.136 2.796
97 HD11 LEU 13 1HD1 LEU 13 -0.106 0.830 2.940
98 HD12 LEU 13 2HD1 LEU 13 1.054 0.347 1.703
99 HD13 LEU 13 3HD1 LEU 13 -0.244 1.473 1.305
100 HD21 LEU 13 3HD2 LEU 13 1.682 1.565 4.424
101 HD22 LEU 13 1HD2 LEU 13 2.826 2.805 3.912
102 HD23 LEU 13 2HD2 LEU 13 2.947 1.171 3.260
103 H MET 14 H MET 14 2.090 5.557 -0.207
104 HA MET 14 HA MET 14 4.240 5.512 -1.982
105 HB2 MET 14 2HB MET 14 1.995 7.364 -1.356
106 HB3 MET 14 1HB MET 14 3.163 7.727 -2.621
107 HG2 MET 14 2HG MET 14 1.134 6.681 -3.407
108 HG3 MET 14 1HG MET 14 2.560 5.785 -3.797
109 HE1 MET 14 3HE MET 14 3.245 3.798 -1.709
110 HE2 MET 14 1HE MET 14 2.803 3.249 -3.325
111 HE3 MET 14 2HE MET 14 2.094 2.474 -1.906
112 H ASP 15 H ASP 15 3.663 7.161 0.976
113 HA ASP 15 HA ASP 15 5.625 9.162 0.905
114 HB2 ASP 15 2HB ASP 15 3.985 9.115 2.661
115 HB3 ASP 15 1HB ASP 15 4.542 7.541 3.218
116 H LEU 16 H LEU 16 5.851 5.659 1.652
117 HA LEU 16 HA LEU 16 8.429 5.471 2.486
118 HB2 LEU 16 2HB LEU 16 6.382 3.994 0.985
119 HB3 LEU 16 1HB LEU 16 7.981 3.346 0.980
120 HG LEU 16 HG LEU 16 7.945 2.956 3.231
121 HD11 LEU 16 1HD1 LEU 16 7.106 5.048 4.061
122 HD12 LEU 16 2HD1 LEU 16 6.193 3.715 4.774
123 HD13 LEU 16 3HD1 LEU 16 5.503 4.653 3.448
124 HD21 LEU 16 3HD2 LEU 16 5.913 1.632 3.607
125 HD22 LEU 16 1HD2 LEU 16 6.618 1.370 2.011
126 HD23 LEU 16 2HD2 LEU 16 5.206 2.412 2.191
127 H GLY 17 H GLY 17 7.217 6.472 -0.546
128 HA2 GLY 17 2HA GLY 17 8.749 7.521 -2.140
129 HA3 GLY 17 1HA GLY 17 9.876 6.206 -1.810
130 H PHE 18 H PHE 18 6.865 4.991 -1.738
131 HA PHE 18 HA PHE 18 7.274 3.577 -4.211
132 HB2 PHE 18 2HB PHE 18 5.410 3.280 -1.878
133 HB3 PHE 18 1HB PHE 18 5.433 2.162 -3.213
134 HD1 PHE 18 2HD PHE 18 8.169 1.799 -3.896
135 HD2 PHE 18 1HD PHE 18 6.325 2.343 -0.148
136 HE1 PHE 18 2HE PHE 18 10.050 0.644 -2.786
137 HE2 PHE 18 1HE PHE 18 8.107 1.261 0.913
138 HZ PHE 18 HZ PHE 18 9.978 0.411 -0.333
139 HA PRO 19 HA PRO 19 4.007 5.639 -6.459
140 HB2 PRO 19 2HB PRO 19 3.447 3.861 -8.307
141 HB3 PRO 19 1HB PRO 19 5.090 4.495 -8.202
142 HG2 PRO 19 2HG PRO 19 4.027 1.973 -7.022
143 HG3 PRO 19 1HG PRO 19 5.377 2.223 -8.130
144 HD2 PRO 19 2HD PRO 19 5.777 2.084 -5.463
145 HD3 PRO 19 1HD PRO 19 6.742 3.161 -6.492
146 H ARG 20 H ARG 20 1.784 5.339 -7.103
147 HA ARG 20 HA ARG 20 0.108 4.524 -5.007
148 HB2 ARG 20 2HB ARG 20 -0.653 6.187 -6.518
149 HB3 ARG 20 1HB ARG 20 -0.366 5.164 -7.907
150 HG2 ARG 20 2HG ARG 20 -2.164 3.721 -7.280
151 HG3 ARG 20 1HG ARG 20 -2.427 4.658 -5.816
152 HD2 ARG 20 2HD ARG 20 -2.954 6.617 -7.157
153 HD3 ARG 20 1HD ARG 20 -2.680 5.688 -8.627
154 HE ARG 20 HE ARG 20 -4.602 4.322 -7.166
155 HH11 ARG 20 1HH1 ARG 20 -4.256 7.451 -8.714
156 HH12 ARG 20 2HH1 ARG 20 -5.951 7.584 -9.090
157 HH21 ARG 20 1HH2 ARG 20 -6.811 4.507 -7.609
158 HH22 ARG 20 2HH2 ARG 20 -7.422 5.904 -8.445
159 H ASP 21 H ASP 21 0.998 3.077 -8.025
160 HA ASP 21 HA ASP 21 -0.560 0.783 -8.076
161 HB2 ASP 21 2HB ASP 21 0.842 1.450 -9.946
162 HB3 ASP 21 1HB ASP 21 2.295 1.171 -8.994
163 H ALA 22 H ALA 22 2.191 1.539 -6.084
164 HA ALA 22 HA ALA 22 2.742 -1.154 -5.290
165 HB1 ALA 22 1HB ALA 22 4.480 0.566 -5.236
166 HB2 ALA 22 2HB ALA 22 4.249 -0.183 -3.657
167 HB3 ALA 22 3HB ALA 22 3.591 1.422 -3.975
168 H VAL 23 H VAL 23 0.643 1.435 -4.064
169 HA VAL 23 HA VAL 23 0.102 0.215 -1.568
170 HB VAL 23 HB VAL 23 -0.621 2.611 -2.705
171 HG11 VAL 23 1HG1 VAL 23 -3.072 0.907 -2.494
172 HG12 VAL 23 2HG1 VAL 23 -2.413 1.649 -3.954
173 HG13 VAL 23 3HG1 VAL 23 -3.076 2.666 -2.665
174 HG21 VAL 23 3HG2 VAL 23 -1.832 3.029 -0.661
175 HG22 VAL 23 1HG2 VAL 23 -0.349 2.132 -0.331
176 HG23 VAL 23 2HG2 VAL 23 -1.915 1.298 -0.336
177 H VAL 24 H VAL 24 -1.417 0.188 -4.676
178 HA VAL 24 HA VAL 24 -3.449 -1.552 -3.932
179 HB VAL 24 HB VAL 24 -2.320 -0.745 -6.586
180 HG11 VAL 24 1HG1 VAL 24 -4.204 -1.940 -7.664
181 HG12 VAL 24 2HG1 VAL 24 -4.629 -2.649 -6.103
182 HG13 VAL 24 3HG1 VAL 24 -3.092 -3.055 -6.868
183 HG21 VAL 24 3HG2 VAL 24 -4.626 0.251 -6.754
184 HG22 VAL 24 1HG2 VAL 24 -3.613 0.913 -5.469
185 HG23 VAL 24 2HG2 VAL 24 -4.881 -0.249 -5.078
186 H LYS 25 H LYS 25 -0.342 -2.353 -5.555
187 HA LYS 25 HA LYS 25 -0.860 -5.100 -5.773
188 HB2 LYS 25 2HB LYS 25 1.644 -3.478 -5.492
189 HB3 LYS 25 1HB LYS 25 1.728 -5.233 -5.452
190 HG2 LYS 25 2HG LYS 25 0.867 -5.406 -7.653
191 HG3 LYS 25 1HG LYS 25 0.461 -3.686 -7.691
192 HD2 LYS 25 2HD LYS 25 2.718 -3.047 -7.742
193 HD3 LYS 25 1HD LYS 25 3.275 -4.659 -7.286
194 HE2 LYS 25 2HE LYS 25 3.692 -4.261 -9.644
195 HE3 LYS 25 1HE LYS 25 2.487 -5.531 -9.441
196 HZ1 LYS 25 3HZ LYS 25 1.919 -2.687 -10.096
197 HZ2 LYS 25 1HZ LYS 25 0.756 -3.911 -9.916
198 HZ3 LYS 25 2HZ LYS 25 1.875 -3.985 -11.190
199 H ALA 26 H ALA 26 0.252 -3.132 -3.098
200 HA ALA 26 HA ALA 26 1.156 -5.467 -1.633
201 HB1 ALA 26 1HB ALA 26 2.434 -3.368 -1.535
202 HB2 ALA 26 2HB ALA 26 1.907 -3.906 0.060
203 HB3 ALA 26 3HB ALA 26 1.061 -2.586 -0.753
204 H LEU 27 H LEU 27 -1.338 -3.022 -1.368
205 HA LEU 27 HA LEU 27 -2.381 -4.112 1.035
206 HB2 LEU 27 2HB LEU 27 -3.489 -2.203 -0.996
207 HB3 LEU 27 1HB LEU 27 -4.319 -2.614 0.480
208 HG LEU 27 HG LEU 27 -3.017 -0.415 0.284
209 HD11 LEU 27 1HD1 LEU 27 -2.541 -2.230 2.612
210 HD12 LEU 27 2HD1 LEU 27 -3.986 -1.257 2.348
211 HD13 LEU 27 3HD1 LEU 27 -2.433 -0.471 2.642
212 HD21 LEU 27 3HD2 LEU 27 -1.002 -1.314 -0.579
213 HD22 LEU 27 1HD2 LEU 27 -0.781 -2.245 0.896
214 HD23 LEU 27 2HD2 LEU 27 -0.728 -0.479 0.955
215 H LYS 28 H LYS 28 -2.748 -4.662 -2.380
216 HA LYS 28 HA LYS 28 -5.074 -6.149 -2.403
217 HB2 LYS 28 2HB LYS 28 -2.688 -6.058 -4.100
218 HB3 LYS 28 1HB LYS 28 -3.606 -7.558 -4.168
219 HG2 LYS 28 2HG LYS 28 -5.540 -6.471 -4.923
220 HG3 LYS 28 1HG LYS 28 -4.918 -4.873 -4.477
221 HD2 LYS 28 2HD LYS 28 -4.718 -5.091 -6.845
222 HD3 LYS 28 1HD LYS 28 -3.108 -5.216 -6.131
223 HE2 LYS 28 2HE LYS 28 -3.346 -6.892 -7.856
224 HE3 LYS 28 1HE LYS 28 -3.266 -7.678 -6.280
225 HZ1 LYS 28 3HZ LYS 28 -4.991 -8.681 -7.587
226 HZ2 LYS 28 1HZ LYS 28 -5.714 -7.173 -7.884
227 HZ3 LYS 28 2HZ LYS 28 -5.714 -7.817 -6.315
228 H GLN 29 H GLN 29 -1.670 -7.412 -1.811
229 HA GLN 29 HA GLN 29 -2.882 -10.004 -1.406
230 HB2 GLN 29 2HB GLN 29 -0.702 -10.749 -0.990
231 HB3 GLN 29 1HB GLN 29 -0.650 -9.657 -2.322
232 HG2 GLN 29 2HG GLN 29 -0.180 -8.235 0.052
233 HG3 GLN 29 1HG GLN 29 0.882 -9.638 -0.020
234 HE21 GLN 29 1HE2 GLN 29 1.439 -6.803 -0.307
235 HE22 GLN 29 2HE2 GLN 29 2.145 -6.609 -1.860
236 H THR 30 H THR 30 -1.864 -7.411 0.617
237 HA THR 30 HA THR 30 -2.200 -8.869 3.078
238 HB THR 30 HB THR 30 -1.843 -6.633 4.107
239 HG1 THR 30 1HG THR 30 -1.218 -5.669 1.538
240 HG21 THR 30 3HG2 THR 30 0.506 -6.446 3.436
241 HG22 THR 30 1HG2 THR 30 0.176 -7.432 2.011
242 HG23 THR 30 2HG2 THR 30 0.043 -8.138 3.624
243 H ASN 31 H ASN 31 -4.261 -7.488 0.920
244 HA ASN 31 HA ASN 31 -6.381 -6.753 0.861
245 HB2 ASN 31 2HB ASN 31 -6.615 -8.146 3.542
246 HB3 ASN 31 1HB ASN 31 -7.963 -7.625 2.540
247 HD21 ASN 31 1HD2 ASN 31 -6.847 -8.441 0.021
248 HD22 ASN 31 2HD2 ASN 31 -6.842 -10.167 0.006
249 H GLY 32 H GLY 32 -4.796 -4.705 1.438
250 HA2 GLY 32 2HA GLY 32 -5.320 -2.557 1.883
251 HA3 GLY 32 1HA GLY 32 -6.785 -3.091 2.685
252 H ASN 33 H ASN 33 -4.279 -4.688 4.387
253 HA ASN 33 HA ASN 33 -4.398 -2.526 6.276
254 HB2 ASN 33 2HB ASN 33 -3.831 -4.013 7.962
255 HB3 ASN 33 1HB ASN 33 -4.948 -4.856 6.935
256 HD21 ASN 33 1HD2 ASN 33 -2.711 -5.348 5.011
257 HD22 ASN 33 2HD2 ASN 33 -1.881 -6.701 5.699
258 H ALA 34 H ALA 34 -2.944 -1.074 6.529
259 HA ALA 34 HA ALA 34 -1.130 -0.803 4.452
260 HB1 ALA 34 1HB ALA 34 -0.549 1.327 5.404
261 HB2 ALA 34 2HB ALA 34 -1.252 0.855 6.950
262 HB3 ALA 34 3HB ALA 34 -2.288 1.065 5.538
263 H GLU 35 H GLU 35 -0.356 -1.450 7.880
264 HA GLU 35 HA GLU 35 2.250 -1.013 7.694
265 HB2 GLU 35 2HB GLU 35 0.309 -2.135 9.433
266 HB3 GLU 35 1HB GLU 35 1.851 -2.883 9.591
267 HG2 GLU 35 2HG GLU 35 1.882 -1.207 11.119
268 HG3 GLU 35 1HG GLU 35 2.792 -0.589 9.769
269 H PHE 36 H PHE 36 0.445 -3.838 7.477
270 HA PHE 36 HA PHE 36 2.477 -5.685 6.945
271 HB2 PHE 36 2HB PHE 36 -0.485 -5.563 6.713
272 HB3 PHE 36 1HB PHE 36 0.323 -6.894 5.912
273 HD1 PHE 36 1HD PHE 36 0.593 -5.044 9.089
274 HD2 PHE 36 2HD PHE 36 0.426 -8.854 7.223
275 HE1 PHE 36 1HE PHE 36 0.780 -6.052 11.215
276 HE2 PHE 36 2HE PHE 36 0.610 -9.928 9.438
277 HZ PHE 36 HZ PHE 36 0.790 -8.526 11.464
278 H ALA 37 H ALA 37 0.529 -3.615 4.925
279 HA ALA 37 HA ALA 37 1.120 -4.942 2.494
280 HB1 ALA 37 1HB ALA 37 0.179 -2.152 3.052
281 HB2 ALA 37 2HB ALA 37 -0.843 -3.572 2.824
282 HB3 ALA 37 3HB ALA 37 0.135 -2.964 1.488
283 H ALA 38 H ALA 38 2.387 -2.063 4.076
284 HA ALA 38 HA ALA 38 4.239 -1.285 2.160
285 HB1 ALA 38 1HB ALA 38 3.629 0.110 4.065
286 HB2 ALA 38 2HB ALA 38 5.375 -0.120 3.979
287 HB3 ALA 38 3HB ALA 38 4.422 -1.025 5.155
288 H SER 39 H SER 39 4.445 -3.645 4.754
289 HA SER 39 HA SER 39 7.299 -3.882 4.575
290 HB2 SER 39 2HB SER 39 5.266 -5.598 6.030
291 HB3 SER 39 1HB SER 39 7.014 -5.622 6.287
292 HG SER 39 HG SER 39 5.210 -3.485 6.816
293 H LEU 40 H LEU 40 4.479 -5.183 3.234
294 HA LEU 40 HA LEU 40 5.693 -7.549 2.177
295 HB2 LEU 40 2HB LEU 40 3.232 -6.991 2.882
296 HB3 LEU 40 1HB LEU 40 3.132 -6.360 1.268
297 HG LEU 40 HG LEU 40 2.261 -8.577 1.186
298 HD11 LEU 40 1HD1 LEU 40 3.780 -9.806 -0.261
299 HD12 LEU 40 2HD1 LEU 40 5.113 -8.761 0.228
300 HD13 LEU 40 3HD1 LEU 40 3.760 -8.093 -0.686
301 HD21 LEU 40 3HD2 LEU 40 3.101 -9.337 3.325
302 HD22 LEU 40 1HD2 LEU 40 4.734 -9.445 2.669
303 HD23 LEU 40 2HD2 LEU 40 3.469 -10.517 2.067
304 H LEU 41 H LEU 41 4.716 -4.263 1.074
305 HA LEU 41 HA LEU 41 5.249 -4.873 -1.637
306 HB2 LEU 41 2HB LEU 41 4.692 -2.687 -2.129
307 HB3 LEU 41 1HB LEU 41 3.691 -3.136 -0.767
308 HG LEU 41 HG LEU 41 5.350 -1.912 0.683
309 HD11 LEU 41 1HD1 LEU 41 6.717 -0.270 -0.402
310 HD12 LEU 41 2HD1 LEU 41 6.219 -0.900 -1.976
311 HD13 LEU 41 3HD1 LEU 41 7.140 -1.917 -0.867
312 HD21 LEU 41 3HD2 LEU 41 4.380 0.263 0.128
313 HD22 LEU 41 1HD2 LEU 41 3.180 -1.031 0.160
314 HD23 LEU 41 2HD2 LEU 41 3.774 -0.418 -1.385
315 H PHE 42 H PHE 42 7.058 -3.847 1.040
316 HA PHE 42 HA PHE 42 9.294 -2.697 0.030
317 HB2 PHE 42 2HB PHE 42 8.553 -4.088 2.438
318 HB3 PHE 42 1HB PHE 42 10.238 -4.384 2.025
319 HD1 PHE 42 1HD PHE 42 7.707 -1.880 2.270
320 HD2 PHE 42 2HD PHE 42 11.831 -2.710 2.596
321 HE1 PHE 42 1HE PHE 42 8.088 0.377 3.014
322 HE2 PHE 42 2HE PHE 42 12.252 -0.412 3.400
323 HZ PHE 42 HZ PHE 42 10.355 1.160 3.615
324 H GLN 43 H GLN 43 8.221 -5.991 -0.273
325 HA GLN 43 HA GLN 43 9.089 -7.935 -0.795
326 HB2 GLN 43 2HB GLN 43 9.533 -5.886 -2.748
327 HB3 GLN 43 1HB GLN 43 10.715 -7.153 -2.862
328 HG2 GLN 43 2HG GLN 43 8.685 -7.487 -4.272
329 HG3 GLN 43 1HG GLN 43 9.100 -8.790 -3.175
330 HE21 GLN 43 1HE2 GLN 43 6.949 -6.027 -3.509
331 HE22 GLN 43 2HE2 GLN 43 5.666 -6.698 -2.555
332 H SER 44 H SER 44 10.307 -6.859 1.320
333 HA SER 44 HA SER 44 12.106 -6.930 2.687
334 HB2 SER 44 2HB SER 44 12.700 -9.176 0.784
335 HB3 SER 44 1HB SER 44 13.611 -8.915 2.273
336 HG SER 44 HG SER 44 11.581 -9.111 3.400
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -10.322 -4.641 4.806
2 H2 GLY 1 2HT GLY 1 -11.357 -5.955 4.517
3 H3 GLY 1 3HT GLY 1 -10.981 -5.508 6.108
4 HA2 GLY 1 1HA GLY 1 -13.202 -4.779 5.509
5 HA3 GLY 1 2HA GLY 1 -12.136 -3.422 5.848
6 H SER 2 H SER 2 -13.204 -1.936 4.604
7 HA SER 2 HA SER 2 -13.359 -2.499 1.724
8 HB2 SER 2 2HB SER 2 -14.908 -0.491 1.713
9 HB3 SER 2 1HB SER 2 -15.508 -1.907 2.576
10 HG SER 2 HG SER 2 -14.871 0.594 3.513
11 H ALA 3 H ALA 3 -11.658 -0.786 4.087
12 HA ALA 3 HA ALA 3 -10.640 1.207 2.208
13 HB1 ALA 3 1HB ALA 3 -11.136 1.949 4.480
14 HB2 ALA 3 2HB ALA 3 -9.415 2.104 4.131
15 HB3 ALA 3 3HB ALA 3 -9.996 0.768 5.126
16 H THR 4 H THR 4 -9.655 -0.309 0.787
17 HA THR 4 HA THR 4 -7.484 -1.886 1.795
18 HB THR 4 HB THR 4 -7.334 -2.525 -0.711
19 HG1 THR 4 1HG THR 4 -10.063 -2.057 -0.810
20 HG21 THR 4 3HG2 THR 4 -9.683 -3.374 0.985
21 HG22 THR 4 1HG2 THR 4 -8.053 -4.037 1.095
22 HG23 THR 4 2HG2 THR 4 -9.000 -4.266 -0.374
23 H PHE 5 H PHE 5 -7.906 0.241 -0.706
24 HA PHE 5 HA PHE 5 -5.100 1.063 -0.736
25 HB2 PHE 5 2HB PHE 5 -7.125 1.231 -2.815
26 HB3 PHE 5 1HB PHE 5 -5.387 1.232 -3.078
27 HD1 PHE 5 1HD PHE 5 -4.607 -0.971 -1.489
28 HD2 PHE 5 2HD PHE 5 -7.977 -0.629 -4.010
29 HE1 PHE 5 1HE PHE 5 -4.658 -3.252 -1.693
30 HE2 PHE 5 2HE PHE 5 -8.022 -3.105 -4.200
31 HZ PHE 5 HZ PHE 5 -6.290 -4.400 -2.952
32 HA PRO 6 HA PRO 6 -8.123 4.879 -0.382
33 HB2 PRO 6 2HB PRO 6 -7.736 5.489 2.227
34 HB3 PRO 6 1HB PRO 6 -9.021 4.456 1.633
35 HG2 PRO 6 2HG PRO 6 -6.464 3.686 2.780
36 HG3 PRO 6 1HG PRO 6 -8.083 3.058 3.072
37 HD2 PRO 6 2HD PRO 6 -6.387 1.802 1.429
38 HD3 PRO 6 1HD PRO 6 -8.097 1.818 1.091
39 H GLU 7 H GLU 7 -7.431 7.002 -0.330
40 HA GLU 7 HA GLU 7 -4.867 7.324 -1.272
41 HB2 GLU 7 2HB GLU 7 -5.371 9.784 -1.122
42 HB3 GLU 7 1HB GLU 7 -6.482 8.811 -2.069
43 HG2 GLU 7 2HG GLU 7 -7.992 9.993 -0.891
44 HG3 GLU 7 1HG GLU 7 -7.709 8.677 0.245
45 H GLN 8 H GLN 8 -6.069 7.725 1.986
46 HA GLN 8 HA GLN 8 -3.933 9.049 3.155
47 HB2 GLN 8 2HB GLN 8 -4.851 6.739 4.704
48 HB3 GLN 8 1HB GLN 8 -4.868 8.441 5.129
49 HG2 GLN 8 2HG GLN 8 -6.868 8.654 3.634
50 HG3 GLN 8 1HG GLN 8 -6.894 6.903 3.542
51 HE21 GLN 8 1HE2 GLN 8 -5.982 6.606 6.315
52 HE22 GLN 8 2HE2 GLN 8 -7.349 6.965 7.306
53 H THR 9 H THR 9 -4.370 5.533 3.001
54 HA THR 9 HA THR 9 -1.843 4.906 3.910
55 HB THR 9 HB THR 9 -2.389 2.634 3.149
56 HG1 THR 9 1HG THR 9 -4.201 2.240 2.020
57 HG21 THR 9 3HG2 THR 9 -3.075 3.397 5.354
58 HG22 THR 9 1HG2 THR 9 -4.272 2.298 4.670
59 HG23 THR 9 2HG2 THR 9 -4.565 4.037 4.662
60 H ILE 10 H ILE 10 -3.179 5.370 0.823
61 HA ILE 10 HA ILE 10 -1.205 4.435 -0.847
62 HB ILE 10 HB ILE 10 -3.016 6.806 -1.081
63 HG12 ILE 10 2HG1 ILE 10 -2.957 4.123 -2.467
64 HG13 ILE 10 1HG1 ILE 10 -4.021 4.565 -1.137
65 HG21 ILE 10 1HG2 ILE 10 -1.016 7.273 -2.366
66 HG22 ILE 10 2HG2 ILE 10 -2.384 6.944 -3.426
67 HG23 ILE 10 3HG2 ILE 10 -1.152 5.709 -3.168
68 HD11 ILE 10 3HD1 ILE 10 -3.965 5.874 -3.826
69 HD12 ILE 10 1HD1 ILE 10 -5.051 6.258 -2.492
70 HD13 ILE 10 2HD1 ILE 10 -5.144 4.681 -3.278
71 H LYS 11 H LYS 11 -1.600 7.635 0.530
72 HA LYS 11 HA LYS 11 0.850 8.610 -0.371
73 HB2 LYS 11 2HB LYS 11 -0.932 9.585 1.830
74 HB3 LYS 11 1HB LYS 11 0.412 10.493 1.152
75 HG2 LYS 11 2HG LYS 11 -0.646 10.731 -0.919
76 HG3 LYS 11 1HG LYS 11 -1.817 9.449 -0.557
77 HD2 LYS 11 2HD LYS 11 -2.883 10.855 1.100
78 HD3 LYS 11 1HD LYS 11 -1.652 12.101 0.892
79 HE2 LYS 11 2HE LYS 11 -2.378 12.473 -1.391
80 HE3 LYS 11 1HE LYS 11 -3.554 11.166 -1.253
81 HZ1 LYS 11 3HZ LYS 11 -3.584 13.599 0.449
82 HZ2 LYS 11 1HZ LYS 11 -4.782 12.400 0.351
83 HZ3 LYS 11 2HZ LYS 11 -4.497 13.426 -0.967
84 H GLN 12 H GLN 12 -0.033 6.870 2.582
85 HA GLN 12 HA GLN 12 2.293 7.336 3.988
86 HB2 GLN 12 2HB GLN 12 0.041 5.482 3.913
87 HB3 GLN 12 1HB GLN 12 1.500 4.804 4.578
88 HG2 GLN 12 2HG GLN 12 0.378 5.676 6.391
89 HG3 GLN 12 1HG GLN 12 1.608 6.868 6.008
90 HE21 GLN 12 1HE2 GLN 12 1.023 8.841 5.152
91 HE22 GLN 12 2HE2 GLN 12 -0.610 9.400 5.177
92 H LEU 13 H LEU 13 1.579 5.093 1.370
93 HA LEU 13 HA LEU 13 4.105 3.770 1.721
94 HB2 LEU 13 2HB LEU 13 1.911 3.305 -0.273
95 HB3 LEU 13 1HB LEU 13 3.298 2.278 0.006
96 HG LEU 13 HG LEU 13 1.150 2.914 1.969
97 HD11 LEU 13 1HD1 LEU 13 0.606 0.539 1.870
98 HD12 LEU 13 2HD1 LEU 13 1.878 0.298 0.665
99 HD13 LEU 13 3HD1 LEU 13 0.470 1.285 0.274
100 HD21 LEU 13 3HD2 LEU 13 3.622 1.236 2.308
101 HD22 LEU 13 1HD2 LEU 13 2.280 1.298 3.453
102 HD23 LEU 13 2HD2 LEU 13 3.238 2.746 3.136
103 H MET 14 H MET 14 2.426 5.747 -0.701
104 HA MET 14 HA MET 14 4.444 6.385 -2.398
105 HB2 MET 14 2HB MET 14 2.562 8.306 -1.040
106 HB3 MET 14 1HB MET 14 3.439 8.556 -2.538
107 HG2 MET 14 2HG MET 14 2.030 6.208 -2.910
108 HG3 MET 14 1HG MET 14 0.922 7.282 -2.089
109 HE1 MET 14 3HE MET 14 3.472 6.846 -4.292
110 HE2 MET 14 1HE MET 14 3.610 8.344 -5.240
111 HE3 MET 14 2HE MET 14 2.724 6.961 -5.905
112 H ASP 15 H ASP 15 3.966 7.230 0.900
113 HA ASP 15 HA ASP 15 5.812 9.305 1.216
114 HB2 ASP 15 2HB ASP 15 4.036 8.944 2.776
115 HB3 ASP 15 1HB ASP 15 4.630 7.336 3.166
116 H LEU 16 H LEU 16 6.231 5.714 1.707
117 HA LEU 16 HA LEU 16 8.851 5.834 2.563
118 HB2 LEU 16 2HB LEU 16 7.122 3.984 1.058
119 HB3 LEU 16 1HB LEU 16 8.788 3.626 1.278
120 HG LEU 16 HG LEU 16 7.812 2.541 2.946
121 HD11 LEU 16 1HD1 LEU 16 8.429 3.604 5.029
122 HD12 LEU 16 2HD1 LEU 16 8.485 5.159 4.197
123 HD13 LEU 16 3HD1 LEU 16 9.647 3.899 3.785
124 HD21 LEU 16 3HD2 LEU 16 5.609 3.390 2.652
125 HD22 LEU 16 1HD2 LEU 16 6.071 4.876 3.473
126 HD23 LEU 16 2HD2 LEU 16 6.039 3.352 4.362
127 H GLY 17 H GLY 17 7.419 6.441 -0.480
128 HA2 GLY 17 2HA GLY 17 8.826 7.763 -2.060
129 HA3 GLY 17 1HA GLY 17 10.055 6.527 -1.811
130 H PHE 18 H PHE 18 6.899 5.357 -1.774
131 HA PHE 18 HA PHE 18 7.441 3.919 -4.237
132 HB2 PHE 18 2HB PHE 18 5.527 3.496 -1.974
133 HB3 PHE 18 1HB PHE 18 5.650 2.409 -3.333
134 HD1 PHE 18 2HD PHE 18 8.463 2.180 -3.879
135 HD2 PHE 18 1HD PHE 18 6.358 2.588 -0.294
136 HE1 PHE 18 2HE PHE 18 10.333 1.120 -2.658
137 HE2 PHE 18 1HE PHE 18 8.124 1.604 0.915
138 HZ PHE 18 HZ PHE 18 10.119 0.858 -0.217
139 HA PRO 19 HA PRO 19 4.038 5.677 -6.477
140 HB2 PRO 19 2HB PRO 19 3.304 3.664 -8.009
141 HB3 PRO 19 1HB PRO 19 4.946 4.295 -8.119
142 HG2 PRO 19 2HG PRO 19 3.986 1.946 -6.561
143 HG3 PRO 19 1HG PRO 19 5.275 2.065 -7.762
144 HD2 PRO 19 2HD PRO 19 5.802 2.256 -5.106
145 HD3 PRO 19 1HD PRO 19 6.716 3.173 -6.330
146 H ARG 20 H ARG 20 1.828 5.431 -6.965
147 HA ARG 20 HA ARG 20 0.081 4.722 -4.870
148 HB2 ARG 20 2HB ARG 20 -0.646 6.338 -6.445
149 HB3 ARG 20 1HB ARG 20 -0.266 5.305 -7.801
150 HG2 ARG 20 2HG ARG 20 -2.090 3.832 -7.220
151 HG3 ARG 20 1HG ARG 20 -2.470 4.858 -5.844
152 HD2 ARG 20 2HD ARG 20 -2.925 6.722 -7.339
153 HD3 ARG 20 1HD ARG 20 -2.491 5.728 -8.724
154 HE ARG 20 HE ARG 20 -4.634 4.634 -7.150
155 HH11 ARG 20 1HH1 ARG 20 -3.790 6.841 -9.731
156 HH12 ARG 20 2HH1 ARG 20 -5.353 6.752 -10.494
157 HH21 ARG 20 1HH2 ARG 20 -6.700 4.536 -8.113
158 HH22 ARG 20 2HH2 ARG 20 -7.022 5.470 -9.551
159 H ASP 21 H ASP 21 1.050 3.207 -7.830
160 HA ASP 21 HA ASP 21 -0.437 0.863 -7.765
161 HB2 ASP 21 2HB ASP 21 2.404 1.210 -8.749
162 HB3 ASP 21 1HB ASP 21 1.311 -0.099 -9.189
163 H ALA 22 H ALA 22 2.301 1.830 -5.821
164 HA ALA 22 HA ALA 22 3.016 -0.830 -5.016
165 HB1 ALA 22 1HB ALA 22 4.364 0.236 -3.286
166 HB2 ALA 22 2HB ALA 22 3.631 1.794 -3.667
167 HB3 ALA 22 3HB ALA 22 4.641 0.978 -4.861
168 H VAL 23 H VAL 23 0.768 1.618 -3.873
169 HA VAL 23 HA VAL 23 0.119 0.350 -1.434
170 HB VAL 23 HB VAL 23 -0.639 2.719 -2.654
171 HG11 VAL 23 1HG1 VAL 23 -3.038 0.945 -2.425
172 HG12 VAL 23 2HG1 VAL 23 -2.373 1.651 -3.901
173 HG13 VAL 23 3HG1 VAL 23 -3.083 2.694 -2.662
174 HG21 VAL 23 3HG2 VAL 23 -0.532 2.878 -0.411
175 HG22 VAL 23 1HG2 VAL 23 -1.316 1.304 -0.165
176 HG23 VAL 23 2HG2 VAL 23 -2.296 2.704 -0.592
177 H VAL 24 H VAL 24 -1.269 0.303 -4.623
178 HA VAL 24 HA VAL 24 -3.270 -1.507 -3.978
179 HB VAL 24 HB VAL 24 -2.010 -0.697 -6.564
180 HG11 VAL 24 1HG1 VAL 24 -3.829 -1.952 -7.719
181 HG12 VAL 24 2HG1 VAL 24 -4.278 -2.671 -6.168
182 HG13 VAL 24 3HG1 VAL 24 -2.701 -3.021 -6.878
183 HG21 VAL 24 3HG2 VAL 24 -4.298 0.265 -6.877
184 HG22 VAL 24 1HG2 VAL 24 -3.414 0.922 -5.498
185 HG23 VAL 24 2HG2 VAL 24 -4.686 -0.274 -5.238
186 H LYS 25 H LYS 25 -0.069 -2.220 -5.436
187 HA LYS 25 HA LYS 25 -0.603 -4.965 -5.728
188 HB2 LYS 25 2HB LYS 25 1.994 -3.473 -5.381
189 HB3 LYS 25 1HB LYS 25 1.902 -5.194 -5.731
190 HG2 LYS 25 2HG LYS 25 0.812 -4.758 -7.833
191 HG3 LYS 25 1HG LYS 25 0.743 -3.030 -7.469
192 HD2 LYS 25 2HD LYS 25 3.133 -2.886 -7.480
193 HD3 LYS 25 1HD LYS 25 3.285 -4.631 -7.706
194 HE2 LYS 25 2HE LYS 25 1.937 -4.281 -9.852
195 HE3 LYS 25 1HE LYS 25 2.281 -2.564 -9.642
196 HZ1 LYS 25 3HZ LYS 25 3.934 -3.464 -11.063
197 HZ2 LYS 25 1HZ LYS 25 4.239 -4.760 -10.012
198 HZ3 LYS 25 2HZ LYS 25 4.679 -3.187 -9.564
199 H ALA 26 H ALA 26 0.538 -3.057 -2.996
200 HA ALA 26 HA ALA 26 1.397 -5.415 -1.556
201 HB1 ALA 26 1HB ALA 26 2.004 -3.843 0.203
202 HB2 ALA 26 2HB ALA 26 1.222 -2.536 -0.686
203 HB3 ALA 26 3HB ALA 26 2.649 -3.328 -1.355
204 H LEU 27 H LEU 27 -1.196 -3.039 -1.461
205 HA LEU 27 HA LEU 27 -2.324 -4.095 0.926
206 HB2 LEU 27 2HB LEU 27 -3.314 -2.166 -1.144
207 HB3 LEU 27 1HB LEU 27 -4.243 -2.594 0.270
208 HG LEU 27 HG LEU 27 -2.890 -0.413 0.238
209 HD11 LEU 27 1HD1 LEU 27 -3.982 -1.358 2.210
210 HD12 LEU 27 2HD1 LEU 27 -2.456 -0.566 2.610
211 HD13 LEU 27 3HD1 LEU 27 -2.542 -2.326 2.507
212 HD21 LEU 27 3HD2 LEU 27 -0.731 -2.307 0.934
213 HD22 LEU 27 1HD2 LEU 27 -0.645 -0.545 0.982
214 HD23 LEU 27 2HD2 LEU 27 -0.854 -1.382 -0.560
215 H LYS 28 H LYS 28 -2.800 -4.575 -2.539
216 HA LYS 28 HA LYS 28 -4.945 -6.319 -2.345
217 HB2 LYS 28 2HB LYS 28 -2.653 -6.206 -4.238
218 HB3 LYS 28 1HB LYS 28 -3.796 -7.499 -4.368
219 HG2 LYS 28 2HG LYS 28 -4.446 -4.564 -4.537
220 HG3 LYS 28 1HG LYS 28 -4.211 -5.645 -5.928
221 HD2 LYS 28 2HD LYS 28 -6.052 -6.275 -3.740
222 HD3 LYS 28 1HD LYS 28 -6.598 -5.255 -5.073
223 HE2 LYS 28 2HE LYS 28 -5.908 -7.104 -6.617
224 HE3 LYS 28 1HE LYS 28 -5.588 -8.102 -5.198
225 HZ1 LYS 28 3HZ LYS 28 -7.941 -7.791 -4.560
226 HZ2 LYS 28 1HZ LYS 28 -7.751 -8.607 -6.036
227 HZ3 LYS 28 2HZ LYS 28 -8.206 -6.976 -6.026
228 H GLN 29 H GLN 29 -1.438 -6.975 -1.894
229 HA GLN 29 HA GLN 29 -1.782 -9.750 -1.511
230 HB2 GLN 29 2HB GLN 29 0.377 -7.813 -0.759
231 HB3 GLN 29 1HB GLN 29 0.537 -9.535 -0.617
232 HG2 GLN 29 2HG GLN 29 0.309 -9.814 -2.953
233 HG3 GLN 29 1HG GLN 29 -0.096 -8.122 -3.170
234 HE21 GLN 29 1HE2 GLN 29 1.989 -7.096 -1.456
235 HE22 GLN 29 2HE2 GLN 29 3.448 -7.325 -2.302
236 H THR 30 H THR 30 -2.006 -6.988 0.618
237 HA THR 30 HA THR 30 -2.033 -8.683 2.993
238 HB THR 30 HB THR 30 -1.911 -6.494 4.161
239 HG1 THR 30 1HG THR 30 -1.201 -5.212 1.801
240 HG21 THR 30 3HG2 THR 30 0.195 -6.957 2.063
241 HG22 THR 30 1HG2 THR 30 0.116 -7.760 3.634
242 HG23 THR 30 2HG2 THR 30 0.404 -6.020 3.547
243 H ASN 31 H ASN 31 -4.132 -7.202 0.872
244 HA ASN 31 HA ASN 31 -6.314 -6.720 0.789
245 HB2 ASN 31 2HB ASN 31 -6.293 -8.414 3.251
246 HB3 ASN 31 1HB ASN 31 -7.753 -7.529 2.826
247 HD21 ASN 31 1HD2 ASN 31 -5.519 -8.786 0.455
248 HD22 ASN 31 2HD2 ASN 31 -6.572 -9.999 -0.177
249 H GLY 32 H GLY 32 -4.758 -4.642 1.416
250 HA2 GLY 32 2HA GLY 32 -5.315 -2.488 1.806
251 HA3 GLY 32 1HA GLY 32 -6.798 -3.022 2.570
252 H ASN 33 H ASN 33 -4.192 -4.489 4.314
253 HA ASN 33 HA ASN 33 -4.379 -2.282 6.163
254 HB2 ASN 33 2HB ASN 33 -3.817 -3.726 7.891
255 HB3 ASN 33 1HB ASN 33 -4.898 -4.618 6.863
256 HD21 ASN 33 1HD2 ASN 33 -2.592 -5.046 4.985
257 HD22 ASN 33 2HD2 ASN 33 -1.748 -6.374 5.697
258 H ALA 34 H ALA 34 -2.778 -0.973 6.786
259 HA ALA 34 HA ALA 34 -0.974 -0.568 4.628
260 HB1 ALA 34 1HB ALA 34 -1.246 1.076 7.122
261 HB2 ALA 34 2HB ALA 34 -2.290 1.209 5.707
262 HB3 ALA 34 3HB ALA 34 -0.570 1.585 5.575
263 H GLU 35 H GLU 35 -0.271 -1.492 8.013
264 HA GLU 35 HA GLU 35 2.385 -0.949 7.858
265 HB2 GLU 35 2HB GLU 35 0.598 -1.893 9.678
266 HB3 GLU 35 1HB GLU 35 1.745 -3.186 9.493
267 HG2 GLU 35 2HG GLU 35 2.623 -0.417 9.917
268 HG3 GLU 35 1HG GLU 35 2.076 -1.388 11.250
269 H PHE 36 H PHE 36 0.602 -3.748 7.488
270 HA PHE 36 HA PHE 36 2.606 -5.515 6.656
271 HB2 PHE 36 2HB PHE 36 -0.372 -5.383 6.479
272 HB3 PHE 36 1HB PHE 36 0.466 -6.639 5.595
273 HD1 PHE 36 1HD PHE 36 0.794 -5.053 8.916
274 HD2 PHE 36 2HD PHE 36 0.445 -8.682 6.741
275 HE1 PHE 36 1HE PHE 36 0.951 -6.248 10.950
276 HE2 PHE 36 2HE PHE 36 0.600 -9.945 8.857
277 HZ PHE 36 HZ PHE 36 0.857 -8.725 10.990
278 H ALA 37 H ALA 37 0.857 -2.999 5.116
279 HA ALA 37 HA ALA 37 0.981 -3.871 2.438
280 HB1 ALA 37 1HB ALA 37 0.450 -1.553 1.943
281 HB2 ALA 37 2HB ALA 37 0.830 -1.107 3.606
282 HB3 ALA 37 3HB ALA 37 -0.540 -2.165 3.265
283 H ALA 38 H ALA 38 2.885 -1.496 4.197
284 HA ALA 38 HA ALA 38 4.683 -0.872 2.195
285 HB1 ALA 38 1HB ALA 38 6.123 -0.008 3.957
286 HB2 ALA 38 2HB ALA 38 5.157 -0.846 5.168
287 HB3 ALA 38 3HB ALA 38 4.446 0.464 4.227
288 H SER 39 H SER 39 4.668 -3.465 4.588
289 HA SER 39 HA SER 39 7.389 -4.174 4.121
290 HB2 SER 39 2HB SER 39 5.158 -5.738 5.445
291 HB3 SER 39 1HB SER 39 6.887 -6.056 5.599
292 HG SER 39 HG SER 39 5.360 -3.924 6.649
293 H LEU 40 H LEU 40 4.279 -4.860 2.792
294 HA LEU 40 HA LEU 40 5.102 -7.250 1.448
295 HB2 LEU 40 2HB LEU 40 2.733 -5.941 2.286
296 HB3 LEU 40 1HB LEU 40 2.669 -6.110 0.587
297 HG LEU 40 HG LEU 40 1.563 -8.017 1.532
298 HD11 LEU 40 1HD1 LEU 40 4.317 -8.888 0.683
299 HD12 LEU 40 2HD1 LEU 40 2.974 -8.526 -0.402
300 HD13 LEU 40 3HD1 LEU 40 2.864 -9.887 0.712
301 HD21 LEU 40 3HD2 LEU 40 4.066 -8.470 3.152
302 HD22 LEU 40 1HD2 LEU 40 2.623 -9.484 3.149
303 HD23 LEU 40 2HD2 LEU 40 2.540 -7.834 3.769
304 H LEU 41 H LEU 41 4.625 -3.787 0.786
305 HA LEU 41 HA LEU 41 5.095 -4.246 -1.993
306 HB2 LEU 41 2HB LEU 41 4.984 -1.940 -2.287
307 HB3 LEU 41 1HB LEU 41 3.801 -2.366 -1.066
308 HG LEU 41 HG LEU 41 5.467 -1.617 0.641
309 HD11 LEU 41 1HD1 LEU 41 7.393 -1.777 -0.773
310 HD12 LEU 41 2HD1 LEU 41 7.217 -0.157 -0.090
311 HD13 LEU 41 3HD1 LEU 41 6.777 -0.464 -1.774
312 HD21 LEU 41 3HD2 LEU 41 3.536 -0.334 0.041
313 HD22 LEU 41 1HD2 LEU 41 4.378 0.334 -1.355
314 HD23 LEU 41 2HD2 LEU 41 4.916 0.743 0.277
315 H PHE 42 H PHE 42 6.946 -4.006 0.806
316 HA PHE 42 HA PHE 42 9.271 -2.779 -0.067
317 HB2 PHE 42 2HB PHE 42 8.362 -4.007 2.307
318 HB3 PHE 42 1HB PHE 42 9.968 -4.643 1.949
319 HD1 PHE 42 1HD PHE 42 7.948 -1.722 2.223
320 HD2 PHE 42 2HD PHE 42 11.882 -3.242 2.332
321 HE1 PHE 42 1HE PHE 42 8.744 0.449 2.908
322 HE2 PHE 42 2HE PHE 42 12.732 -1.041 3.065
323 HZ PHE 42 HZ PHE 42 11.151 0.835 3.358
324 H GLN 43 H GLN 43 8.087 -5.983 -0.784
325 HA GLN 43 HA GLN 43 10.604 -7.223 -1.241
326 HB2 GLN 43 2HB GLN 43 7.939 -7.654 -2.522
327 HB3 GLN 43 1HB GLN 43 9.320 -8.681 -2.826
328 HG2 GLN 43 2HG GLN 43 8.707 -9.927 -1.099
329 HG3 GLN 43 1HG GLN 43 9.124 -8.575 -0.053
330 HE21 GLN 43 1HE2 GLN 43 6.421 -8.704 -2.315
331 HE22 GLN 43 2HE2 GLN 43 5.194 -8.559 -1.124
332 H SER 44 H SER 44 9.154 -4.641 -2.787
333 HA SER 44 HA SER 44 10.209 -5.026 -5.420
334 HB2 SER 44 2HB SER 44 8.235 -3.573 -4.882
335 HB3 SER 44 1HB SER 44 9.337 -2.439 -4.108
336 HG SER 44 HG SER 44 10.226 -1.944 -6.041
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -16.856 3.972 -0.987
2 H2 GLY 1 2HT GLY 1 -16.507 5.408 -0.149
3 H3 GLY 1 3HT GLY 1 -16.557 3.928 0.678
4 HA2 GLY 1 1HA GLY 1 -14.627 4.481 -1.495
5 HA3 GLY 1 2HA GLY 1 -14.275 4.812 0.195
6 H SER 2 H SER 2 -12.514 3.223 -0.522
7 HA SER 2 HA SER 2 -13.354 0.642 0.558
8 HB2 SER 2 2HB SER 2 -13.168 0.426 -1.945
9 HB3 SER 2 1HB SER 2 -11.470 0.881 -1.807
10 HG SER 2 HG SER 2 -11.448 -1.302 -1.776
11 H ALA 3 H ALA 3 -12.011 -0.044 2.127
12 HA ALA 3 HA ALA 3 -9.911 1.835 2.859
13 HB1 ALA 3 1HB ALA 3 -11.613 1.294 4.507
14 HB2 ALA 3 2HB ALA 3 -10.017 0.781 5.055
15 HB3 ALA 3 3HB ALA 3 -11.160 -0.407 4.429
16 H THR 4 H THR 4 -9.558 -0.250 0.746
17 HA THR 4 HA THR 4 -7.489 -1.913 1.844
18 HB THR 4 HB THR 4 -7.297 -2.603 -0.627
19 HG1 THR 4 1HG THR 4 -9.438 -2.189 -1.644
20 HG21 THR 4 3HG2 THR 4 -9.805 -3.197 0.949
21 HG22 THR 4 1HG2 THR 4 -8.264 -4.036 1.110
22 HG23 THR 4 2HG2 THR 4 -9.179 -4.155 -0.392
23 H PHE 5 H PHE 5 -7.733 0.108 -0.763
24 HA PHE 5 HA PHE 5 -4.935 0.963 -0.689
25 HB2 PHE 5 2HB PHE 5 -6.918 1.110 -2.815
26 HB3 PHE 5 1HB PHE 5 -5.171 1.101 -3.041
27 HD1 PHE 5 1HD PHE 5 -4.484 -1.078 -1.357
28 HD2 PHE 5 2HD PHE 5 -7.706 -0.764 -4.058
29 HE1 PHE 5 1HE PHE 5 -4.532 -3.354 -1.528
30 HE2 PHE 5 2HE PHE 5 -7.753 -3.242 -4.214
31 HZ PHE 5 HZ PHE 5 -6.093 -4.526 -2.851
32 HA PRO 6 HA PRO 6 -7.803 4.874 -0.557
33 HB2 PRO 6 2HB PRO 6 -7.847 5.444 2.055
34 HB3 PRO 6 1HB PRO 6 -9.013 4.389 1.282
35 HG2 PRO 6 2HG PRO 6 -6.634 3.655 2.792
36 HG3 PRO 6 1HG PRO 6 -8.278 3.030 2.873
37 HD2 PRO 6 2HD PRO 6 -6.367 1.767 1.473
38 HD3 PRO 6 1HD PRO 6 -8.032 1.740 0.951
39 H GLU 7 H GLU 7 -7.123 7.003 -0.030
40 HA GLU 7 HA GLU 7 -4.479 7.483 -0.697
41 HB2 GLU 7 2HB GLU 7 -6.614 9.217 0.523
42 HB3 GLU 7 1HB GLU 7 -5.041 9.845 0.075
43 HG2 GLU 7 2HG GLU 7 -6.811 8.417 -1.875
44 HG3 GLU 7 1HG GLU 7 -6.913 10.155 -1.590
45 H GLN 8 H GLN 8 -5.987 7.241 2.466
46 HA GLN 8 HA GLN 8 -4.019 8.245 4.112
47 HB2 GLN 8 2HB GLN 8 -5.067 5.623 4.953
48 HB3 GLN 8 1HB GLN 8 -5.093 7.162 5.799
49 HG2 GLN 8 2HG GLN 8 -6.918 7.832 4.221
50 HG3 GLN 8 1HG GLN 8 -6.980 6.160 3.701
51 HE21 GLN 8 1HE2 GLN 8 -7.556 8.360 6.345
52 HE22 GLN 8 2HE2 GLN 8 -8.518 7.272 7.294
53 H THR 9 H THR 9 -4.319 4.875 3.090
54 HA THR 9 HA THR 9 -1.822 4.137 4.064
55 HB THR 9 HB THR 9 -2.301 1.999 2.946
56 HG1 THR 9 1HG THR 9 -4.216 1.755 1.824
57 HG21 THR 9 3HG2 THR 9 -3.089 2.385 5.217
58 HG22 THR 9 1HG2 THR 9 -4.242 1.403 4.313
59 HG23 THR 9 2HG2 THR 9 -4.561 3.118 4.578
60 H ILE 10 H ILE 10 -3.100 4.932 0.992
61 HA ILE 10 HA ILE 10 -1.041 4.325 -0.711
62 HB ILE 10 HB ILE 10 -2.980 6.601 -0.730
63 HG12 ILE 10 2HG1 ILE 10 -2.731 4.090 -2.384
64 HG13 ILE 10 1HG1 ILE 10 -3.851 4.331 -1.049
65 HG21 ILE 10 1HG2 ILE 10 -2.308 7.036 -3.025
66 HG22 ILE 10 2HG2 ILE 10 -1.023 5.839 -2.878
67 HG23 ILE 10 3HG2 ILE 10 -0.976 7.306 -1.903
68 HD11 ILE 10 3HD1 ILE 10 -4.922 6.119 -2.268
69 HD12 ILE 10 1HD1 ILE 10 -4.951 4.607 -3.171
70 HD13 ILE 10 2HD1 ILE 10 -3.804 5.873 -3.610
71 H LYS 11 H LYS 11 -1.600 7.371 0.963
72 HA LYS 11 HA LYS 11 0.832 8.432 0.061
73 HB2 LYS 11 2HB LYS 11 -1.098 9.360 2.145
74 HB3 LYS 11 1HB LYS 11 0.327 10.282 1.673
75 HG2 LYS 11 2HG LYS 11 -0.466 10.584 -0.518
76 HG3 LYS 11 1HG LYS 11 -1.707 9.334 -0.322
77 HD2 LYS 11 2HD LYS 11 -3.143 10.767 0.679
78 HD3 LYS 11 1HD LYS 11 -1.866 11.576 1.585
79 HE2 LYS 11 2HE LYS 11 -2.985 13.063 -0.034
80 HE3 LYS 11 1HE LYS 11 -1.261 12.885 -0.345
81 HZ1 LYS 11 3HZ LYS 11 -3.347 11.324 -1.780
82 HZ2 LYS 11 1HZ LYS 11 -1.699 11.458 -2.167
83 HZ3 LYS 11 2HZ LYS 11 -2.720 12.795 -2.343
84 H GLN 12 H GLN 12 -0.047 6.631 2.936
85 HA GLN 12 HA GLN 12 2.251 7.137 4.386
86 HB2 GLN 12 2HB GLN 12 0.110 5.089 4.207
87 HB3 GLN 12 1HB GLN 12 1.508 4.755 5.167
88 HG2 GLN 12 2HG GLN 12 1.177 6.750 6.449
89 HG3 GLN 12 1HG GLN 12 -0.201 7.109 5.450
90 HE21 GLN 12 1HE2 GLN 12 -2.084 5.997 5.689
91 HE22 GLN 12 2HE2 GLN 12 -2.416 5.019 7.072
92 H LEU 13 H LEU 13 1.594 4.833 1.777
93 HA LEU 13 HA LEU 13 4.126 3.552 2.168
94 HB2 LEU 13 2HB LEU 13 2.040 3.170 0.050
95 HB3 LEU 13 1HB LEU 13 3.403 2.127 0.374
96 HG LEU 13 HG LEU 13 1.134 2.689 2.215
97 HD11 LEU 13 1HD1 LEU 13 0.660 0.284 1.948
98 HD12 LEU 13 2HD1 LEU 13 1.941 0.199 0.736
99 HD13 LEU 13 3HD1 LEU 13 0.510 1.187 0.440
100 HD21 LEU 13 3HD2 LEU 13 3.506 0.891 2.653
101 HD22 LEU 13 1HD2 LEU 13 2.127 1.073 3.737
102 HD23 LEU 13 2HD2 LEU 13 3.215 2.434 3.457
103 H MET 14 H MET 14 2.504 5.600 -0.223
104 HA MET 14 HA MET 14 4.622 6.114 -1.917
105 HB2 MET 14 2HB MET 14 2.415 7.853 -0.838
106 HB3 MET 14 1HB MET 14 3.490 8.339 -2.134
107 HG2 MET 14 2HG MET 14 1.188 6.627 -2.221
108 HG3 MET 14 1HG MET 14 2.070 7.424 -3.480
109 HE1 MET 14 3HE MET 14 1.907 4.239 -1.270
110 HE2 MET 14 1HE MET 14 2.058 3.086 -2.596
111 HE3 MET 14 2HE MET 14 0.760 4.283 -2.607
112 H ASP 15 H ASP 15 3.878 7.265 1.240
113 HA ASP 15 HA ASP 15 5.802 9.222 1.627
114 HB2 ASP 15 2HB ASP 15 4.020 8.866 3.194
115 HB3 ASP 15 1HB ASP 15 4.564 7.226 3.529
116 H LEU 16 H LEU 16 6.096 5.627 1.863
117 HA LEU 16 HA LEU 16 8.763 5.804 2.860
118 HB2 LEU 16 2HB LEU 16 7.608 3.502 1.352
119 HB3 LEU 16 1HB LEU 16 8.777 3.490 2.646
120 HG LEU 16 HG LEU 16 5.918 4.256 2.983
121 HD11 LEU 16 1HD1 LEU 16 7.267 1.639 3.426
122 HD12 LEU 16 2HD1 LEU 16 5.944 2.025 2.322
123 HD13 LEU 16 3HD1 LEU 16 5.678 2.064 4.062
124 HD21 LEU 16 3HD2 LEU 16 6.370 3.970 5.374
125 HD22 LEU 16 1HD2 LEU 16 7.402 5.214 4.671
126 HD23 LEU 16 2HD2 LEU 16 8.056 3.611 5.006
127 H GLY 17 H GLY 17 7.431 6.450 -0.159
128 HA2 GLY 17 2HA GLY 17 8.856 7.441 -1.832
129 HA3 GLY 17 1HA GLY 17 10.102 6.286 -1.392
130 H PHE 18 H PHE 18 6.758 5.338 -1.842
131 HA PHE 18 HA PHE 18 7.612 3.728 -4.135
132 HB2 PHE 18 2HB PHE 18 5.378 3.427 -2.161
133 HB3 PHE 18 1HB PHE 18 5.710 2.289 -3.429
134 HD1 PHE 18 2HD PHE 18 8.503 1.846 -3.504
135 HD2 PHE 18 1HD PHE 18 5.943 2.724 -0.327
136 HE1 PHE 18 2HE PHE 18 10.091 0.801 -1.918
137 HE2 PHE 18 1HE PHE 18 7.409 1.761 1.214
138 HZ PHE 18 HZ PHE 18 9.485 0.797 0.474
139 HA PRO 19 HA PRO 19 4.286 5.453 -6.693
140 HB2 PRO 19 2HB PRO 19 3.717 3.452 -8.270
141 HB3 PRO 19 1HB PRO 19 5.384 4.032 -8.235
142 HG2 PRO 19 2HG PRO 19 4.211 1.771 -6.687
143 HG3 PRO 19 1HG PRO 19 5.558 1.775 -7.827
144 HD2 PRO 19 2HD PRO 19 5.984 2.061 -5.154
145 HD3 PRO 19 1HD PRO 19 6.985 2.905 -6.364
146 H ARG 20 H ARG 20 2.084 5.093 -7.227
147 HA ARG 20 HA ARG 20 0.441 4.501 -4.995
148 HB2 ARG 20 2HB ARG 20 -0.172 6.213 -6.562
149 HB3 ARG 20 1HB ARG 20 -0.097 5.092 -7.902
150 HG2 ARG 20 2HG ARG 20 -2.013 3.931 -7.131
151 HG3 ARG 20 1HG ARG 20 -2.054 4.906 -5.671
152 HD2 ARG 20 2HD ARG 20 -2.312 6.922 -7.124
153 HD3 ARG 20 1HD ARG 20 -2.480 5.835 -8.498
154 HE ARG 20 HE ARG 20 -4.426 6.276 -6.358
155 HH11 ARG 20 1HH1 ARG 20 -3.486 4.475 -9.219
156 HH12 ARG 20 2HH1 ARG 20 -5.112 4.019 -9.614
157 HH21 ARG 20 1HH2 ARG 20 -6.562 5.687 -6.886
158 HH22 ARG 20 2HH2 ARG 20 -6.871 4.704 -8.290
159 H ASP 21 H ASP 21 1.188 2.962 -7.995
160 HA ASP 21 HA ASP 21 -0.471 0.749 -7.974
161 HB2 ASP 21 2HB ASP 21 2.384 1.036 -8.912
162 HB3 ASP 21 1HB ASP 21 1.442 -0.427 -9.170
163 H ALA 22 H ALA 22 2.406 1.394 -6.081
164 HA ALA 22 HA ALA 22 2.845 -1.268 -5.215
165 HB1 ALA 22 1HB ALA 22 4.605 0.418 -5.175
166 HB2 ALA 22 2HB ALA 22 4.357 -0.292 -3.579
167 HB3 ALA 22 3HB ALA 22 3.724 1.314 -3.938
168 H VAL 23 H VAL 23 0.904 1.409 -3.915
169 HA VAL 23 HA VAL 23 0.247 0.202 -1.469
170 HB VAL 23 HB VAL 23 -0.397 2.598 -2.601
171 HG11 VAL 23 1HG1 VAL 23 -2.917 0.980 -2.507
172 HG12 VAL 23 2HG1 VAL 23 -2.167 1.700 -3.938
173 HG13 VAL 23 3HG1 VAL 23 -2.837 2.739 -2.675
174 HG21 VAL 23 3HG2 VAL 23 -2.106 2.616 -0.587
175 HG22 VAL 23 1HG2 VAL 23 -0.345 2.641 -0.351
176 HG23 VAL 23 2HG2 VAL 23 -1.251 1.122 -0.204
177 H VAL 24 H VAL 24 -1.238 0.184 -4.586
178 HA VAL 24 HA VAL 24 -3.318 -1.524 -3.838
179 HB VAL 24 HB VAL 24 -2.157 -0.722 -6.480
180 HG11 VAL 24 1HG1 VAL 24 -4.504 -2.573 -5.986
181 HG12 VAL 24 2HG1 VAL 24 -3.001 -2.974 -6.820
182 HG13 VAL 24 3HG1 VAL 24 -4.132 -1.827 -7.543
183 HG21 VAL 24 3HG2 VAL 24 -3.394 0.965 -5.316
184 HG22 VAL 24 1HG2 VAL 24 -4.734 -0.147 -5.023
185 HG23 VAL 24 2HG2 VAL 24 -4.378 0.397 -6.667
186 H LYS 25 H LYS 25 -0.197 -2.271 -5.360
187 HA LYS 25 HA LYS 25 -0.713 -5.015 -5.703
188 HB2 LYS 25 2HB LYS 25 1.901 -3.575 -5.221
189 HB3 LYS 25 1HB LYS 25 1.764 -5.255 -5.722
190 HG2 LYS 25 2HG LYS 25 0.822 -4.647 -7.809
191 HG3 LYS 25 1HG LYS 25 0.630 -2.966 -7.304
192 HD2 LYS 25 2HD LYS 25 3.050 -2.728 -7.169
193 HD3 LYS 25 1HD LYS 25 3.253 -4.414 -7.654
194 HE2 LYS 25 2HE LYS 25 1.928 -2.266 -9.312
195 HE3 LYS 25 1HE LYS 25 3.581 -2.839 -9.526
196 HZ1 LYS 25 3HZ LYS 25 2.047 -3.880 -11.082
197 HZ2 LYS 25 1HZ LYS 25 1.131 -4.504 -9.802
198 HZ3 LYS 25 2HZ LYS 25 2.726 -5.031 -10.043
199 H ALA 26 H ALA 26 0.423 -3.120 -2.966
200 HA ALA 26 HA ALA 26 1.308 -5.493 -1.553
201 HB1 ALA 26 1HB ALA 26 1.999 -3.984 0.199
202 HB2 ALA 26 2HB ALA 26 1.152 -2.649 -0.584
203 HB3 ALA 26 3HB ALA 26 2.555 -3.381 -1.363
204 H LEU 27 H LEU 27 -1.203 -3.060 -1.312
205 HA LEU 27 HA LEU 27 -2.268 -4.123 1.091
206 HB2 LEU 27 2HB LEU 27 -3.332 -2.180 -0.938
207 HB3 LEU 27 1HB LEU 27 -4.184 -2.588 0.529
208 HG LEU 27 HG LEU 27 -2.802 -0.409 0.389
209 HD11 LEU 27 1HD1 LEU 27 -3.837 -1.310 2.415
210 HD12 LEU 27 2HD1 LEU 27 -2.284 -0.539 2.746
211 HD13 LEU 27 3HD1 LEU 27 -2.405 -2.298 2.676
212 HD21 LEU 27 3HD2 LEU 27 -0.534 -0.594 1.068
213 HD22 LEU 27 1HD2 LEU 27 -0.821 -1.410 -0.471
214 HD23 LEU 27 2HD2 LEU 27 -0.664 -2.357 1.009
215 H LYS 28 H LYS 28 -2.715 -4.626 -2.342
216 HA LYS 28 HA LYS 28 -4.943 -6.271 -2.296
217 HB2 LYS 28 2HB LYS 28 -2.643 -5.921 -4.025
218 HB3 LYS 28 1HB LYS 28 -3.200 -7.588 -3.988
219 HG2 LYS 28 2HG LYS 28 -5.277 -7.049 -4.861
220 HG3 LYS 28 1HG LYS 28 -5.132 -5.339 -4.409
221 HD2 LYS 28 2HD LYS 28 -3.546 -4.937 -6.091
222 HD3 LYS 28 1HD LYS 28 -3.301 -6.658 -6.400
223 HE2 LYS 28 2HE LYS 28 -4.641 -5.600 -8.159
224 HE3 LYS 28 1HE LYS 28 -5.539 -6.848 -7.302
225 HZ1 LYS 28 3HZ LYS 28 -5.788 -3.923 -6.848
226 HZ2 LYS 28 1HZ LYS 28 -6.651 -5.125 -6.021
227 HZ3 LYS 28 2HZ LYS 28 -6.893 -4.897 -7.680
228 H GLN 29 H GLN 29 -1.477 -7.192 -1.647
229 HA GLN 29 HA GLN 29 -2.275 -9.889 -1.132
230 HB2 GLN 29 2HB GLN 29 0.224 -8.497 -0.256
231 HB3 GLN 29 1HB GLN 29 -0.019 -10.187 -0.550
232 HG2 GLN 29 2HG GLN 29 0.251 -9.996 -2.746
233 HG3 GLN 29 1HG GLN 29 -0.597 -8.447 -2.811
234 HE21 GLN 29 1HE2 GLN 29 0.907 -7.171 -0.855
235 HE22 GLN 29 2HE2 GLN 29 2.437 -6.832 -1.526
236 H THR 30 H THR 30 -1.734 -7.048 0.892
237 HA THR 30 HA THR 30 -2.037 -8.556 3.332
238 HB THR 30 HB THR 30 -1.733 -6.382 4.416
239 HG1 THR 30 1HG THR 30 -1.462 -4.531 3.210
240 HG21 THR 30 3HG2 THR 30 0.239 -6.925 2.210
241 HG22 THR 30 1HG2 THR 30 0.223 -7.697 3.796
242 HG23 THR 30 2HG2 THR 30 0.558 -5.971 3.660
243 H ASN 31 H ASN 31 -4.153 -7.487 1.123
244 HA ASN 31 HA ASN 31 -6.292 -6.808 1.018
245 HB2 ASN 31 2HB ASN 31 -6.332 -8.257 3.665
246 HB3 ASN 31 1HB ASN 31 -7.786 -7.558 2.959
247 HD21 ASN 31 1HD2 ASN 31 -5.411 -10.073 2.731
248 HD22 ASN 31 2HD2 ASN 31 -6.227 -11.014 1.529
249 H GLY 32 H GLY 32 -4.677 -4.725 1.583
250 HA2 GLY 32 2HA GLY 32 -5.198 -2.551 1.915
251 HA3 GLY 32 1HA GLY 32 -6.697 -3.042 2.674
252 H ASN 33 H ASN 33 -3.985 -4.451 4.406
253 HA ASN 33 HA ASN 33 -4.268 -2.243 6.230
254 HB2 ASN 33 2HB ASN 33 -3.831 -3.593 8.001
255 HB3 ASN 33 1HB ASN 33 -4.730 -4.637 6.930
256 HD21 ASN 33 1HD2 ASN 33 -3.493 -5.886 5.523
257 HD22 ASN 33 2HD2 ASN 33 -2.078 -6.693 6.130
258 H ALA 34 H ALA 34 -2.571 -0.981 6.895
259 HA ALA 34 HA ALA 34 -0.799 -0.689 4.699
260 HB1 ALA 34 1HB ALA 34 -0.946 1.000 7.174
261 HB2 ALA 34 2HB ALA 34 -1.973 1.194 5.753
262 HB3 ALA 34 3HB ALA 34 -0.232 1.447 5.624
263 H GLU 35 H GLU 35 -0.173 -1.671 8.053
264 HA GLU 35 HA GLU 35 2.486 -1.097 7.925
265 HB2 GLU 35 2HB GLU 35 0.615 -2.209 9.738
266 HB3 GLU 35 1HB GLU 35 2.139 -3.033 9.816
267 HG2 GLU 35 2HG GLU 35 1.898 -0.098 9.910
268 HG3 GLU 35 1HG GLU 35 1.756 -1.088 11.334
269 H PHE 36 H PHE 36 0.675 -3.895 7.593
270 HA PHE 36 HA PHE 36 2.702 -5.714 6.918
271 HB2 PHE 36 2HB PHE 36 -0.268 -5.541 6.607
272 HB3 PHE 36 1HB PHE 36 0.572 -6.834 5.786
273 HD1 PHE 36 1HD PHE 36 0.982 -5.195 9.069
274 HD2 PHE 36 2HD PHE 36 0.266 -8.837 7.003
275 HE1 PHE 36 1HE PHE 36 0.996 -6.331 11.144
276 HE2 PHE 36 2HE PHE 36 0.273 -10.041 9.160
277 HZ PHE 36 HZ PHE 36 0.637 -8.786 11.258
278 H ALA 37 H ALA 37 0.974 -3.271 5.212
279 HA ALA 37 HA ALA 37 1.368 -4.317 2.597
280 HB1 ALA 37 1HB ALA 37 0.806 -1.525 3.537
281 HB2 ALA 37 2HB ALA 37 -0.412 -2.756 3.201
282 HB3 ALA 37 3HB ALA 37 0.599 -2.133 1.896
283 H ALA 38 H ALA 38 2.902 -1.869 4.526
284 HA ALA 38 HA ALA 38 4.746 -0.922 2.717
285 HB1 ALA 38 1HB ALA 38 4.276 0.148 4.860
286 HB2 ALA 38 2HB ALA 38 6.002 -0.140 4.637
287 HB3 ALA 38 3HB ALA 38 5.061 -1.193 5.692
288 H SER 39 H SER 39 4.923 -3.657 4.960
289 HA SER 39 HA SER 39 7.738 -3.987 4.493
290 HB2 SER 39 2HB SER 39 5.745 -5.791 5.883
291 HB3 SER 39 1HB SER 39 7.500 -5.948 5.961
292 HG SER 39 HG SER 39 7.457 -3.743 6.843
293 H LEU 40 H LEU 40 4.751 -5.089 3.254
294 HA LEU 40 HA LEU 40 5.873 -7.317 1.825
295 HB2 LEU 40 2HB LEU 40 3.543 -6.997 2.829
296 HB3 LEU 40 1HB LEU 40 3.219 -6.051 1.414
297 HG LEU 40 HG LEU 40 3.433 -7.926 -0.035
298 HD11 LEU 40 1HD1 LEU 40 4.234 -10.116 0.734
299 HD12 LEU 40 2HD1 LEU 40 4.546 -9.438 2.331
300 HD13 LEU 40 3HD1 LEU 40 5.467 -8.872 0.939
301 HD21 LEU 40 3HD2 LEU 40 1.860 -9.552 0.887
302 HD22 LEU 40 1HD2 LEU 40 1.344 -7.898 1.224
303 HD23 LEU 40 2HD2 LEU 40 2.091 -8.867 2.495
304 H LEU 41 H LEU 41 4.808 -3.985 1.131
305 HA LEU 41 HA LEU 41 5.147 -4.337 -1.663
306 HB2 LEU 41 2HB LEU 41 4.280 -2.317 -1.856
307 HB3 LEU 41 1HB LEU 41 3.747 -2.667 -0.237
308 HG LEU 41 HG LEU 41 6.145 -1.503 0.212
309 HD11 LEU 41 1HD1 LEU 41 6.260 0.311 -1.329
310 HD12 LEU 41 2HD1 LEU 41 4.745 -0.212 -2.090
311 HD13 LEU 41 3HD1 LEU 41 6.195 -1.217 -2.211
312 HD21 LEU 41 3HD2 LEU 41 3.972 -1.113 1.283
313 HD22 LEU 41 1HD2 LEU 41 3.475 -0.181 -0.125
314 HD23 LEU 41 2HD2 LEU 41 4.814 0.389 0.881
315 H PHE 42 H PHE 42 7.070 -3.531 1.022
316 HA PHE 42 HA PHE 42 9.274 -2.240 0.093
317 HB2 PHE 42 2HB PHE 42 8.598 -3.798 2.367
318 HB3 PHE 42 1HB PHE 42 10.215 -4.256 1.837
319 HD1 PHE 42 1HD PHE 42 8.019 -1.548 2.574
320 HD2 PHE 42 2HD PHE 42 12.046 -2.786 2.308
321 HE1 PHE 42 1HE PHE 42 8.710 0.569 3.490
322 HE2 PHE 42 2HE PHE 42 12.791 -0.636 3.279
323 HZ PHE 42 HZ PHE 42 11.103 1.072 3.877
324 H GLN 43 H GLN 43 8.182 -5.427 -0.675
325 HA GLN 43 HA GLN 43 10.501 -6.765 -1.413
326 HB2 GLN 43 2HB GLN 43 7.749 -6.791 -2.597
327 HB3 GLN 43 1HB GLN 43 9.006 -7.874 -3.152
328 HG2 GLN 43 2HG GLN 43 9.126 -8.986 -1.079
329 HG3 GLN 43 1HG GLN 43 8.171 -7.747 -0.274
330 HE21 GLN 43 1HE2 GLN 43 6.063 -7.523 -2.148
331 HE22 GLN 43 2HE2 GLN 43 5.169 -8.985 -2.123
332 H SER 44 H SER 44 8.879 -4.177 -2.931
333 HA SER 44 HA SER 44 10.959 -4.071 -5.000
334 HB2 SER 44 2HB SER 44 7.998 -3.625 -5.473
335 HB3 SER 44 1HB SER 44 9.271 -3.377 -6.668
336 HG SER 44 HG SER 44 9.791 -5.712 -6.090
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -17.614 -1.957 -1.434
2 H2 GLY 1 2HT GLY 1 -16.267 -2.802 -2.014
3 H3 GLY 1 3HT GLY 1 -17.164 -1.818 -3.061
4 HA2 GLY 1 1HA GLY 1 -15.128 -0.708 -2.467
5 HA3 GLY 1 2HA GLY 1 -16.517 0.146 -1.811
6 H SER 2 H SER 2 -13.505 -0.953 -1.113
7 HA SER 2 HA SER 2 -14.066 -0.968 1.771
8 HB2 SER 2 2HB SER 2 -12.186 -2.640 1.969
9 HB3 SER 2 1HB SER 2 -13.631 -3.257 1.168
10 HG SER 2 HG SER 2 -12.352 -3.741 -0.420
11 H ALA 3 H ALA 3 -12.330 -0.181 3.087
12 HA ALA 3 HA ALA 3 -10.688 1.824 1.809
13 HB1 ALA 3 1HB ALA 3 -11.718 2.275 3.978
14 HB2 ALA 3 2HB ALA 3 -9.959 2.367 4.080
15 HB3 ALA 3 3HB ALA 3 -10.804 0.946 4.694
16 H THR 4 H THR 4 -9.809 -0.185 0.545
17 HA THR 4 HA THR 4 -7.761 -1.635 1.901
18 HB THR 4 HB THR 4 -7.415 -2.363 -0.636
19 HG1 THR 4 1HG THR 4 -10.176 -2.190 -0.700
20 HG21 THR 4 3HG2 THR 4 -8.905 -4.249 -0.188
21 HG22 THR 4 1HG2 THR 4 -9.620 -3.376 1.166
22 HG23 THR 4 2HG2 THR 4 -7.930 -3.873 1.233
23 H PHE 5 H PHE 5 -7.845 0.311 -0.792
24 HA PHE 5 HA PHE 5 -5.017 1.015 -0.654
25 HB2 PHE 5 2HB PHE 5 -6.917 1.219 -2.853
26 HB3 PHE 5 1HB PHE 5 -5.168 1.087 -3.014
27 HD1 PHE 5 1HD PHE 5 -4.594 -1.109 -1.368
28 HD2 PHE 5 2HD PHE 5 -7.889 -0.618 -3.952
29 HE1 PHE 5 1HE PHE 5 -4.798 -3.374 -1.481
30 HE2 PHE 5 2HE PHE 5 -8.108 -3.089 -4.056
31 HZ PHE 5 HZ PHE 5 -6.491 -4.456 -2.735
32 HA PRO 6 HA PRO 6 -7.695 5.086 -0.734
33 HB2 PRO 6 2HB PRO 6 -7.984 5.686 1.844
34 HB3 PRO 6 1HB PRO 6 -9.082 4.619 0.991
35 HG2 PRO 6 2HG PRO 6 -6.839 3.900 2.707
36 HG3 PRO 6 1HG PRO 6 -8.498 3.311 2.687
37 HD2 PRO 6 2HD PRO 6 -6.525 1.967 1.459
38 HD3 PRO 6 1HD PRO 6 -8.151 1.966 0.825
39 H GLU 7 H GLU 7 -6.977 7.229 -0.068
40 HA GLU 7 HA GLU 7 -4.242 7.398 -0.626
41 HB2 GLU 7 2HB GLU 7 -6.335 9.422 0.062
42 HB3 GLU 7 1HB GLU 7 -4.659 9.884 -0.187
43 HG2 GLU 7 2HG GLU 7 -4.715 8.894 -2.420
44 HG3 GLU 7 1HG GLU 7 -6.398 8.444 -2.169
45 H GLN 8 H GLN 8 -5.951 7.458 2.439
46 HA GLN 8 HA GLN 8 -4.008 8.528 4.104
47 HB2 GLN 8 2HB GLN 8 -5.169 5.970 5.029
48 HB3 GLN 8 1HB GLN 8 -5.123 7.531 5.830
49 HG2 GLN 8 2HG GLN 8 -6.894 8.245 4.210
50 HG3 GLN 8 1HG GLN 8 -7.041 6.563 3.749
51 HE21 GLN 8 1HE2 GLN 8 -7.523 8.879 6.313
52 HE22 GLN 8 2HE2 GLN 8 -8.527 7.872 7.299
53 H THR 9 H THR 9 -4.387 5.160 3.164
54 HA THR 9 HA THR 9 -1.931 4.344 4.193
55 HB THR 9 HB THR 9 -2.483 2.200 3.134
56 HG1 THR 9 1HG THR 9 -4.353 1.983 1.966
57 HG21 THR 9 3HG2 THR 9 -4.443 1.714 4.502
58 HG22 THR 9 1HG2 THR 9 -4.739 3.442 4.678
59 HG23 THR 9 2HG2 THR 9 -3.292 2.720 5.381
60 H ILE 10 H ILE 10 -3.122 5.264 1.149
61 HA ILE 10 HA ILE 10 -1.112 4.475 -0.560
62 HB ILE 10 HB ILE 10 -2.989 6.792 -0.601
63 HG12 ILE 10 2HG1 ILE 10 -2.649 4.386 -2.389
64 HG13 ILE 10 1HG1 ILE 10 -3.798 4.505 -1.063
65 HG21 ILE 10 1HG2 ILE 10 -0.947 7.568 -1.652
66 HG22 ILE 10 2HG2 ILE 10 -2.217 7.325 -2.850
67 HG23 ILE 10 3HG2 ILE 10 -0.921 6.141 -2.684
68 HD11 ILE 10 3HD1 ILE 10 -4.866 4.909 -3.183
69 HD12 ILE 10 1HD1 ILE 10 -3.745 6.230 -3.507
70 HD13 ILE 10 2HD1 ILE 10 -4.888 6.351 -2.169
71 H LYS 11 H LYS 11 -1.514 7.546 1.102
72 HA LYS 11 HA LYS 11 0.992 8.456 0.280
73 HB2 LYS 11 2HB LYS 11 -0.717 9.401 2.558
74 HB3 LYS 11 1HB LYS 11 0.639 10.286 1.878
75 HG2 LYS 11 2HG LYS 11 -0.504 10.692 -0.126
76 HG3 LYS 11 1HG LYS 11 -1.718 9.447 0.227
77 HD2 LYS 11 2HD LYS 11 -2.541 10.809 2.095
78 HD3 LYS 11 1HD LYS 11 -1.329 12.037 1.741
79 HE2 LYS 11 2HE LYS 11 -3.460 11.154 -0.196
80 HE3 LYS 11 1HE LYS 11 -3.622 12.544 0.874
81 HZ1 LYS 11 3HZ LYS 11 -1.672 13.528 -0.194
82 HZ2 LYS 11 1HZ LYS 11 -2.910 13.225 -1.312
83 HZ3 LYS 11 2HZ LYS 11 -1.562 12.196 -1.246
84 H GLN 12 H GLN 12 -0.020 6.508 2.987
85 HA GLN 12 HA GLN 12 2.270 6.796 4.521
86 HB2 GLN 12 2HB GLN 12 0.024 4.916 4.182
87 HB3 GLN 12 1HB GLN 12 1.442 4.289 4.967
88 HG2 GLN 12 2HG GLN 12 -0.268 6.584 5.813
89 HG3 GLN 12 1HG GLN 12 0.007 5.063 6.661
90 HE21 GLN 12 1HE2 GLN 12 1.321 8.164 5.841
91 HE22 GLN 12 2HE2 GLN 12 2.639 8.137 6.953
92 H LEU 13 H LEU 13 1.524 4.665 1.796
93 HA LEU 13 HA LEU 13 3.961 3.218 2.136
94 HB2 LEU 13 2HB LEU 13 1.841 3.010 0.026
95 HB3 LEU 13 1HB LEU 13 3.144 1.884 0.302
96 HG LEU 13 HG LEU 13 0.906 2.504 2.158
97 HD11 LEU 13 1HD1 LEU 13 1.622 -0.045 0.716
98 HD12 LEU 13 2HD1 LEU 13 0.292 1.034 0.298
99 HD13 LEU 13 3HD1 LEU 13 0.272 0.165 1.832
100 HD21 LEU 13 3HD2 LEU 13 1.849 0.753 3.610
101 HD22 LEU 13 1HD2 LEU 13 2.896 2.164 3.451
102 HD23 LEU 13 2HD2 LEU 13 3.265 0.688 2.559
103 H MET 14 H MET 14 2.443 5.406 -0.239
104 HA MET 14 HA MET 14 4.647 5.699 -1.901
105 HB2 MET 14 2HB MET 14 2.333 7.385 -1.075
106 HB3 MET 14 1HB MET 14 3.510 7.960 -2.245
107 HG2 MET 14 2HG MET 14 1.571 7.006 -3.264
108 HG3 MET 14 1HG MET 14 3.003 6.129 -3.686
109 HE1 MET 14 3HE MET 14 3.171 3.533 -3.454
110 HE2 MET 14 1HE MET 14 2.368 2.642 -2.162
111 HE3 MET 14 2HE MET 14 3.537 3.906 -1.770
112 H ASP 15 H ASP 15 3.951 6.860 1.243
113 HA ASP 15 HA ASP 15 5.813 8.931 1.538
114 HB2 ASP 15 2HB ASP 15 4.107 8.589 3.172
115 HB3 ASP 15 1HB ASP 15 4.670 6.958 3.526
116 H LEU 16 H LEU 16 6.213 5.353 1.874
117 HA LEU 16 HA LEU 16 8.841 5.347 2.705
118 HB2 LEU 16 2HB LEU 16 7.090 3.656 1.038
119 HB3 LEU 16 1HB LEU 16 8.743 3.250 1.267
120 HG LEU 16 HG LEU 16 7.702 2.056 2.819
121 HD11 LEU 16 1HD1 LEU 16 8.287 2.968 5.007
122 HD12 LEU 16 2HD1 LEU 16 8.457 4.559 4.262
123 HD13 LEU 16 3HD1 LEU 16 9.558 3.255 3.817
124 HD21 LEU 16 3HD2 LEU 16 5.531 3.024 2.545
125 HD22 LEU 16 1HD2 LEU 16 6.027 4.388 3.539
126 HD23 LEU 16 2HD2 LEU 16 5.917 2.777 4.250
127 H GLY 17 H GLY 17 7.428 6.166 -0.341
128 HA2 GLY 17 2HA GLY 17 8.845 7.552 -1.841
129 HA3 GLY 17 1HA GLY 17 10.105 6.348 -1.591
130 H PHE 18 H PHE 18 7.045 5.003 -1.715
131 HA PHE 18 HA PHE 18 7.594 3.764 -4.262
132 HB2 PHE 18 2HB PHE 18 5.513 3.335 -2.161
133 HB3 PHE 18 1HB PHE 18 5.676 2.331 -3.564
134 HD1 PHE 18 2HD PHE 18 8.373 1.658 -3.921
135 HD2 PHE 18 1HD PHE 18 6.210 2.491 -0.452
136 HE1 PHE 18 2HE PHE 18 9.958 0.293 -2.596
137 HE2 PHE 18 1HE PHE 18 7.676 1.198 0.850
138 HZ PHE 18 HZ PHE 18 9.556 0.091 -0.167
139 HA PRO 19 HA PRO 19 4.290 5.706 -6.623
140 HB2 PRO 19 2HB PRO 19 3.759 3.841 -8.366
141 HB3 PRO 19 1HB PRO 19 5.428 4.410 -8.245
142 HG2 PRO 19 2HG PRO 19 4.218 2.045 -6.889
143 HG3 PRO 19 1HG PRO 19 5.578 2.122 -8.008
144 HD2 PRO 19 2HD PRO 19 5.990 2.209 -5.323
145 HD3 PRO 19 1HD PRO 19 6.989 3.158 -6.458
146 H ARG 20 H ARG 20 2.063 5.356 -7.277
147 HA ARG 20 HA ARG 20 0.387 4.670 -5.120
148 HB2 ARG 20 2HB ARG 20 -0.278 6.316 -6.744
149 HB3 ARG 20 1HB ARG 20 -0.150 5.159 -8.048
150 HG2 ARG 20 2HG ARG 20 -2.017 3.952 -7.276
151 HG3 ARG 20 1HG ARG 20 -2.093 4.910 -5.808
152 HD2 ARG 20 2HD ARG 20 -2.441 6.924 -7.276
153 HD3 ARG 20 1HD ARG 20 -2.634 5.807 -8.624
154 HE ARG 20 HE ARG 20 -4.387 5.032 -6.574
155 HH11 ARG 20 1HH1 ARG 20 -3.944 7.651 -8.853
156 HH12 ARG 20 2HH1 ARG 20 -5.637 8.040 -8.934
157 HH21 ARG 20 1HH2 ARG 20 -6.604 5.547 -6.659
158 HH22 ARG 20 2HH2 ARG 20 -7.151 6.854 -7.666
159 H ASP 21 H ASP 21 1.147 3.046 -8.130
160 HA ASP 21 HA ASP 21 -0.561 0.854 -7.963
161 HB2 ASP 21 2HB ASP 21 2.199 1.124 -9.141
162 HB3 ASP 21 1HB ASP 21 1.332 -0.407 -9.191
163 H ALA 22 H ALA 22 2.342 1.555 -6.204
164 HA ALA 22 HA ALA 22 2.835 -1.082 -5.271
165 HB1 ALA 22 1HB ALA 22 4.414 -0.068 -3.756
166 HB2 ALA 22 2HB ALA 22 3.739 1.527 -4.083
167 HB3 ALA 22 3HB ALA 22 4.570 0.643 -5.363
168 H VAL 23 H VAL 23 0.853 1.600 -4.048
169 HA VAL 23 HA VAL 23 0.318 0.509 -1.511
170 HB VAL 23 HB VAL 23 -0.424 2.840 -2.682
171 HG11 VAL 23 1HG1 VAL 23 -2.855 2.933 -2.827
172 HG12 VAL 23 2HG1 VAL 23 -2.932 1.186 -2.566
173 HG13 VAL 23 3HG1 VAL 23 -2.166 1.833 -4.024
174 HG21 VAL 23 3HG2 VAL 23 -1.933 1.583 -0.423
175 HG22 VAL 23 1HG2 VAL 23 -1.646 3.302 -0.703
176 HG23 VAL 23 2HG2 VAL 23 -0.293 2.247 -0.285
177 H VAL 24 H VAL 24 -1.211 0.309 -4.588
178 HA VAL 24 HA VAL 24 -3.280 -1.381 -3.768
179 HB VAL 24 HB VAL 24 -2.088 -0.802 -6.457
180 HG11 VAL 24 1HG1 VAL 24 -4.464 -2.557 -5.776
181 HG12 VAL 24 2HG1 VAL 24 -2.974 -3.062 -6.579
182 HG13 VAL 24 3HG1 VAL 24 -4.091 -1.970 -7.401
183 HG21 VAL 24 3HG2 VAL 24 -4.287 0.337 -6.748
184 HG22 VAL 24 1HG2 VAL 24 -3.302 1.007 -5.444
185 HG23 VAL 24 2HG2 VAL 24 -4.658 -0.054 -5.066
186 H LYS 25 H LYS 25 -0.212 -2.243 -5.415
187 HA LYS 25 HA LYS 25 -0.737 -4.984 -5.504
188 HB2 LYS 25 2HB LYS 25 1.948 -3.642 -5.266
189 HB3 LYS 25 1HB LYS 25 1.671 -5.275 -5.810
190 HG2 LYS 25 2HG LYS 25 0.878 -2.737 -7.178
191 HG3 LYS 25 1HG LYS 25 2.054 -3.931 -7.725
192 HD2 LYS 25 2HD LYS 25 0.047 -5.497 -7.471
193 HD3 LYS 25 1HD LYS 25 -0.907 -4.045 -7.638
194 HE2 LYS 25 2HE LYS 25 1.177 -4.982 -9.610
195 HE3 LYS 25 1HE LYS 25 -0.564 -5.184 -9.803
196 HZ1 LYS 25 3HZ LYS 25 -0.761 -2.733 -9.670
197 HZ2 LYS 25 1HZ LYS 25 0.112 -3.270 -11.020
198 HZ3 LYS 25 2HZ LYS 25 0.931 -2.627 -9.689
199 H ALA 26 H ALA 26 0.658 -2.936 -3.028
200 HA ALA 26 HA ALA 26 1.540 -5.144 -1.405
201 HB1 ALA 26 1HB ALA 26 2.179 -3.507 0.223
202 HB2 ALA 26 2HB ALA 26 1.213 -2.272 -0.587
203 HB3 ALA 26 3HB ALA 26 2.644 -2.931 -1.380
204 H LEU 27 H LEU 27 -1.185 -2.900 -1.338
205 HA LEU 27 HA LEU 27 -2.200 -3.961 1.102
206 HB2 LEU 27 2HB LEU 27 -3.444 -2.266 -0.957
207 HB3 LEU 27 1HB LEU 27 -4.155 -2.649 0.596
208 HG LEU 27 HG LEU 27 -1.492 -1.336 0.288
209 HD11 LEU 27 1HD1 LEU 27 -4.226 -0.256 0.490
210 HD12 LEU 27 2HD1 LEU 27 -3.090 -0.091 -0.848
211 HD13 LEU 27 3HD1 LEU 27 -2.760 0.706 0.696
212 HD21 LEU 27 3HD2 LEU 27 -3.493 -1.426 2.534
213 HD22 LEU 27 1HD2 LEU 27 -1.921 -0.631 2.573
214 HD23 LEU 27 2HD2 LEU 27 -2.019 -2.389 2.457
215 H LYS 28 H LYS 28 -2.906 -4.401 -2.320
216 HA LYS 28 HA LYS 28 -4.826 -6.410 -2.121
217 HB2 LYS 28 2HB LYS 28 -2.576 -6.076 -4.046
218 HB3 LYS 28 1HB LYS 28 -3.609 -7.458 -4.174
219 HG2 LYS 28 2HG LYS 28 -4.438 -4.576 -4.395
220 HG3 LYS 28 1HG LYS 28 -4.196 -5.698 -5.743
221 HD2 LYS 28 2HD LYS 28 -5.981 -6.280 -3.485
222 HD3 LYS 28 1HD LYS 28 -6.576 -5.378 -4.876
223 HE2 LYS 28 2HE LYS 28 -5.905 -7.280 -6.310
224 HE3 LYS 28 1HE LYS 28 -5.400 -8.163 -4.870
225 HZ1 LYS 28 3HZ LYS 28 -7.804 -7.757 -4.099
226 HZ2 LYS 28 1HZ LYS 28 -7.523 -8.952 -5.268
227 HZ3 LYS 28 2HZ LYS 28 -8.126 -7.444 -5.734
228 H GLN 29 H GLN 29 -1.303 -6.653 -1.740
229 HA GLN 29 HA GLN 29 -1.114 -9.414 -1.365
230 HB2 GLN 29 2HB GLN 29 0.492 -7.052 -1.156
231 HB3 GLN 29 1HB GLN 29 0.809 -8.085 0.222
232 HG2 GLN 29 2HG GLN 29 2.094 -9.298 -0.997
233 HG3 GLN 29 1HG GLN 29 0.774 -9.698 -2.081
234 HE21 GLN 29 1HE2 GLN 29 2.354 -6.581 -1.546
235 HE22 GLN 29 2HE2 GLN 29 2.952 -6.406 -3.157
236 H THR 30 H THR 30 -2.093 -6.829 0.754
237 HA THR 30 HA THR 30 -1.875 -8.574 3.102
238 HB THR 30 HB THR 30 -1.712 -6.381 4.298
239 HG1 THR 30 1HG THR 30 -1.014 -5.197 1.864
240 HG21 THR 30 3HG2 THR 30 0.636 -6.025 3.680
241 HG22 THR 30 1HG2 THR 30 0.377 -6.942 2.192
242 HG23 THR 30 2HG2 THR 30 0.264 -7.749 3.760
243 H ASN 31 H ASN 31 -4.132 -7.542 1.079
244 HA ASN 31 HA ASN 31 -6.281 -6.889 1.061
245 HB2 ASN 31 2HB ASN 31 -6.194 -8.439 3.641
246 HB3 ASN 31 1HB ASN 31 -7.687 -7.724 3.040
247 HD21 ASN 31 1HD2 ASN 31 -5.335 -10.214 2.633
248 HD22 ASN 31 2HD2 ASN 31 -6.183 -11.102 1.417
249 H GLY 32 H GLY 32 -4.800 -4.713 1.590
250 HA2 GLY 32 2HA GLY 32 -5.640 -2.602 1.973
251 HA3 GLY 32 1HA GLY 32 -6.840 -3.274 3.055
252 H ASN 33 H ASN 33 -4.219 -4.578 4.576
253 HA ASN 33 HA ASN 33 -4.163 -2.243 6.238
254 HB2 ASN 33 2HB ASN 33 -3.451 -3.614 7.992
255 HB3 ASN 33 1HB ASN 33 -4.708 -4.464 7.154
256 HD21 ASN 33 1HD2 ASN 33 -2.551 -5.110 5.080
257 HD22 ASN 33 2HD2 ASN 33 -1.780 -6.493 5.778
258 H ALA 34 H ALA 34 -2.625 -0.834 6.401
259 HA ALA 34 HA ALA 34 -0.855 -0.828 4.194
260 HB1 ALA 34 1HB ALA 34 -2.087 1.148 4.969
261 HB2 ALA 34 2HB ALA 34 -0.357 1.439 4.787
262 HB3 ALA 34 3HB ALA 34 -1.047 1.203 6.393
263 H GLU 35 H GLU 35 -0.170 -1.199 7.662
264 HA GLU 35 HA GLU 35 2.477 -0.641 7.392
265 HB2 GLU 35 2HB GLU 35 0.684 -1.606 9.432
266 HB3 GLU 35 1HB GLU 35 2.346 -2.070 9.630
267 HG2 GLU 35 2HG GLU 35 1.549 0.712 9.100
268 HG3 GLU 35 1HG GLU 35 1.513 0.042 10.704
269 H PHE 36 H PHE 36 0.658 -3.455 7.506
270 HA PHE 36 HA PHE 36 2.666 -5.357 7.078
271 HB2 PHE 36 2HB PHE 36 -0.292 -5.172 6.792
272 HB3 PHE 36 1HB PHE 36 0.496 -6.566 6.079
273 HD1 PHE 36 1HD PHE 36 0.815 -4.556 9.159
274 HD2 PHE 36 2HD PHE 36 0.465 -8.446 7.503
275 HE1 PHE 36 1HE PHE 36 0.929 -5.454 11.343
276 HE2 PHE 36 2HE PHE 36 0.574 -9.404 9.777
277 HZ PHE 36 HZ PHE 36 0.810 -7.904 11.726
278 H ALA 37 H ALA 37 0.973 -3.157 5.033
279 HA ALA 37 HA ALA 37 1.461 -4.558 2.577
280 HB1 ALA 37 1HB ALA 37 -0.412 -3.006 2.815
281 HB2 ALA 37 2HB ALA 37 0.657 -2.537 1.493
282 HB3 ALA 37 3HB ALA 37 0.725 -1.675 3.030
283 H ALA 38 H ALA 38 2.838 -1.778 4.163
284 HA ALA 38 HA ALA 38 4.783 -1.075 2.352
285 HB1 ALA 38 1HB ALA 38 5.930 -0.008 4.200
286 HB2 ALA 38 2HB ALA 38 4.934 -0.903 5.349
287 HB3 ALA 38 3HB ALA 38 4.194 0.291 4.283
288 H SER 39 H SER 39 4.808 -3.484 4.908
289 HA SER 39 HA SER 39 7.637 -3.848 4.843
290 HB2 SER 39 2HB SER 39 5.451 -5.598 6.011
291 HB3 SER 39 1HB SER 39 7.175 -5.721 6.372
292 HG SER 39 HG SER 39 5.365 -3.640 7.042
293 H LEU 40 H LEU 40 4.845 -5.016 3.275
294 HA LEU 40 HA LEU 40 6.109 -7.321 2.115
295 HB2 LEU 40 2HB LEU 40 3.657 -6.857 2.835
296 HB3 LEU 40 1HB LEU 40 3.537 -6.075 1.293
297 HG LEU 40 HG LEU 40 2.664 -8.275 1.012
298 HD11 LEU 40 1HD1 LEU 40 4.196 -9.381 -0.540
299 HD12 LEU 40 2HD1 LEU 40 5.498 -8.317 -0.005
300 HD13 LEU 40 3HD1 LEU 40 4.095 -7.646 -0.839
301 HD21 LEU 40 3HD2 LEU 40 3.876 -10.290 1.688
302 HD22 LEU 40 1HD2 LEU 40 3.530 -9.237 3.061
303 HD23 LEU 40 2HD2 LEU 40 5.153 -9.286 2.372
304 H LEU 41 H LEU 41 5.015 -4.051 1.009
305 HA LEU 41 HA LEU 41 5.663 -4.694 -1.661
306 HB2 LEU 41 2HB LEU 41 4.751 -2.774 -2.219
307 HB3 LEU 41 1HB LEU 41 3.986 -3.061 -0.670
308 HG LEU 41 HG LEU 41 6.364 -1.661 -0.205
309 HD11 LEU 41 1HD1 LEU 41 6.081 0.183 -1.641
310 HD12 LEU 41 2HD1 LEU 41 4.511 -0.419 -2.194
311 HD13 LEU 41 3HD1 LEU 41 5.997 -1.270 -2.637
312 HD21 LEU 41 3HD2 LEU 41 3.553 -0.672 -0.215
313 HD22 LEU 41 1HD2 LEU 41 4.881 -0.195 0.849
314 HD23 LEU 41 2HD2 LEU 41 4.169 -1.814 0.977
315 H PHE 42 H PHE 42 7.261 -3.538 1.051
316 HA PHE 42 HA PHE 42 9.506 -2.259 0.228
317 HB2 PHE 42 2HB PHE 42 8.687 -3.738 2.521
318 HB3 PHE 42 1HB PHE 42 10.363 -4.132 2.146
319 HD1 PHE 42 1HD PHE 42 7.987 -1.499 2.534
320 HD2 PHE 42 2HD PHE 42 12.066 -2.566 2.737
321 HE1 PHE 42 1HE PHE 42 8.500 0.690 3.402
322 HE2 PHE 42 2HE PHE 42 12.627 -0.341 3.654
323 HZ PHE 42 HZ PHE 42 10.821 1.317 3.995
324 H GLN 43 H GLN 43 8.489 -5.492 -0.528
325 HA GLN 43 HA GLN 43 11.019 -6.689 -0.945
326 HB2 GLN 43 2HB GLN 43 9.869 -8.488 -1.683
327 HB3 GLN 43 1HB GLN 43 8.561 -7.644 -0.892
328 HG2 GLN 43 2HG GLN 43 9.123 -7.637 -3.828
329 HG3 GLN 43 1HG GLN 43 7.914 -8.591 -3.006
330 HE21 GLN 43 1HE2 GLN 43 6.116 -7.533 -2.102
331 HE22 GLN 43 2HE2 GLN 43 5.561 -6.025 -2.738
332 H SER 44 H SER 44 9.655 -4.134 -2.524
333 HA SER 44 HA SER 44 10.819 -4.579 -5.127
334 HB2 SER 44 2HB SER 44 9.708 -2.047 -3.883
335 HB3 SER 44 1HB SER 44 10.127 -2.257 -5.583
336 HG SER 44 HG SER 44 8.344 -4.079 -4.414
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -14.940 -1.042 -1.680
2 H2 GLY 1 2HT GLY 1 -13.865 -0.714 -2.951
3 H3 GLY 1 3HT GLY 1 -14.450 0.552 -1.988
4 HA2 GLY 1 1HA GLY 1 -12.741 -1.664 -1.012
5 HA3 GLY 1 2HA GLY 1 -12.156 -0.058 -1.432
6 H SER 2 H SER 2 -13.048 -1.964 1.080
7 HA SER 2 HA SER 2 -14.522 -0.155 2.695
8 HB2 SER 2 2HB SER 2 -14.422 -2.604 3.106
9 HB3 SER 2 1HB SER 2 -12.726 -2.443 3.557
10 HG SER 2 HG SER 2 -13.316 -1.796 5.456
11 H ALA 3 H ALA 3 -11.110 -1.138 2.800
12 HA ALA 3 HA ALA 3 -10.142 1.512 3.087
13 HB1 ALA 3 1HB ALA 3 -9.244 1.344 5.361
14 HB2 ALA 3 2HB ALA 3 -10.044 -0.214 5.565
15 HB3 ALA 3 3HB ALA 3 -11.005 1.252 5.369
16 H THR 4 H THR 4 -9.490 -0.239 1.242
17 HA THR 4 HA THR 4 -7.245 -1.834 2.068
18 HB THR 4 HB THR 4 -7.290 -2.481 -0.426
19 HG1 THR 4 1HG THR 4 -9.451 -2.174 -1.274
20 HG21 THR 4 3HG2 THR 4 -7.958 -4.001 1.367
21 HG22 THR 4 1HG2 THR 4 -9.053 -4.137 -0.009
22 HG23 THR 4 2HG2 THR 4 -9.550 -3.244 1.430
23 H PHE 5 H PHE 5 -7.857 0.299 -0.388
24 HA PHE 5 HA PHE 5 -5.080 1.183 -0.606
25 HB2 PHE 5 2HB PHE 5 -7.260 1.304 -2.527
26 HB3 PHE 5 1HB PHE 5 -5.547 1.365 -2.922
27 HD1 PHE 5 1HD PHE 5 -4.648 -0.839 -1.336
28 HD2 PHE 5 2HD PHE 5 -8.072 -0.559 -3.787
29 HE1 PHE 5 1HE PHE 5 -4.635 -3.108 -1.574
30 HE2 PHE 5 2HE PHE 5 -8.048 -3.032 -4.015
31 HZ PHE 5 HZ PHE 5 -6.254 -4.292 -2.820
32 HA PRO 6 HA PRO 6 -8.049 4.996 -0.104
33 HB2 PRO 6 2HB PRO 6 -7.764 5.541 2.509
34 HB3 PRO 6 1HB PRO 6 -9.005 4.483 1.862
35 HG2 PRO 6 2HG PRO 6 -6.457 3.756 3.066
36 HG3 PRO 6 1HG PRO 6 -8.070 3.096 3.319
37 HD2 PRO 6 2HD PRO 6 -6.305 1.903 1.684
38 HD3 PRO 6 1HD PRO 6 -8.016 1.852 1.348
39 H GLU 7 H GLU 7 -7.333 7.060 -0.092
40 HA GLU 7 HA GLU 7 -4.727 7.483 -0.904
41 HB2 GLU 7 2HB GLU 7 -6.728 9.485 0.146
42 HB3 GLU 7 1HB GLU 7 -5.316 9.858 -0.828
43 HG2 GLU 7 2HG GLU 7 -6.225 9.006 -2.746
44 HG3 GLU 7 1HG GLU 7 -7.297 7.911 -1.874
45 H GLN 8 H GLN 8 -6.147 7.872 2.300
46 HA GLN 8 HA GLN 8 -4.152 9.285 3.597
47 HB2 GLN 8 2HB GLN 8 -5.224 6.949 5.061
48 HB3 GLN 8 1HB GLN 8 -5.161 8.640 5.541
49 HG2 GLN 8 2HG GLN 8 -6.983 8.919 3.720
50 HG3 GLN 8 1HG GLN 8 -7.203 7.190 3.939
51 HE21 GLN 8 1HE2 GLN 8 -7.489 10.321 5.407
52 HE22 GLN 8 2HE2 GLN 8 -8.468 9.819 6.746
53 H THR 9 H THR 9 -4.441 5.769 3.371
54 HA THR 9 HA THR 9 -1.933 5.254 4.452
55 HB THR 9 HB THR 9 -2.411 2.930 3.733
56 HG1 THR 9 1HG THR 9 -3.999 2.570 2.390
57 HG21 THR 9 3HG2 THR 9 -3.069 3.709 5.942
58 HG22 THR 9 1HG2 THR 9 -4.273 2.593 5.297
59 HG23 THR 9 2HG2 THR 9 -4.576 4.330 5.270
60 H ILE 10 H ILE 10 -3.256 5.508 1.324
61 HA ILE 10 HA ILE 10 -1.257 4.507 -0.272
62 HB ILE 10 HB ILE 10 -3.179 6.756 -0.657
63 HG12 ILE 10 2HG1 ILE 10 -2.873 4.065 -1.983
64 HG13 ILE 10 1HG1 ILE 10 -3.998 4.439 -0.678
65 HG21 ILE 10 1HG2 ILE 10 -1.180 7.336 -1.908
66 HG22 ILE 10 2HG2 ILE 10 -2.501 6.892 -2.986
67 HG23 ILE 10 3HG2 ILE 10 -1.194 5.751 -2.676
68 HD11 ILE 10 3HD1 ILE 10 -3.976 5.710 -3.385
69 HD12 ILE 10 1HD1 ILE 10 -5.106 6.047 -2.076
70 HD13 ILE 10 2HD1 ILE 10 -5.088 4.455 -2.835
71 H LYS 11 H LYS 11 -1.701 7.822 0.838
72 HA LYS 11 HA LYS 11 0.723 8.644 -0.287
73 HB2 LYS 11 2HB LYS 11 -0.979 9.950 1.806
74 HB3 LYS 11 1HB LYS 11 0.343 10.742 0.959
75 HG2 LYS 11 2HG LYS 11 -0.795 10.622 -1.109
76 HG3 LYS 11 1HG LYS 11 -2.001 9.501 -0.452
77 HD2 LYS 11 2HD LYS 11 -2.866 11.812 -0.695
78 HD3 LYS 11 1HD LYS 11 -2.876 11.258 0.980
79 HE2 LYS 11 2HE LYS 11 -0.808 12.484 1.402
80 HE3 LYS 11 1HE LYS 11 -0.777 13.023 -0.276
81 HZ1 LYS 11 3HZ LYS 11 -1.675 14.682 1.297
82 HZ2 LYS 11 1HZ LYS 11 -2.977 13.640 1.624
83 HZ3 LYS 11 2HZ LYS 11 -2.761 14.273 0.062
84 H GLN 12 H GLN 12 -0.070 7.314 2.845
85 HA GLN 12 HA GLN 12 2.323 7.944 4.113
86 HB2 GLN 12 2HB GLN 12 0.074 6.002 4.356
87 HB3 GLN 12 1HB GLN 12 1.485 5.807 5.340
88 HG2 GLN 12 2HG GLN 12 1.232 8.038 6.218
89 HG3 GLN 12 1HG GLN 12 -0.183 8.203 5.213
90 HE21 GLN 12 1HE2 GLN 12 -2.057 7.142 5.715
91 HE22 GLN 12 2HE2 GLN 12 -2.323 6.416 7.254
92 H LEU 13 H LEU 13 1.376 5.379 1.921
93 HA LEU 13 HA LEU 13 3.735 3.830 2.497
94 HB2 LEU 13 2HB LEU 13 1.450 3.343 0.610
95 HB3 LEU 13 1HB LEU 13 2.725 2.214 0.989
96 HG LEU 13 HG LEU 13 0.735 3.320 2.905
97 HD11 LEU 13 1HD1 LEU 13 -0.280 1.693 1.439
98 HD12 LEU 13 2HD1 LEU 13 -0.084 0.994 3.046
99 HD13 LEU 13 3HD1 LEU 13 1.028 0.554 1.751
100 HD21 LEU 13 3HD2 LEU 13 2.801 2.982 4.056
101 HD22 LEU 13 1HD2 LEU 13 2.989 1.375 3.349
102 HD23 LEU 13 2HD2 LEU 13 1.694 1.685 4.509
103 H MET 14 H MET 14 2.202 5.567 -0.190
104 HA MET 14 HA MET 14 4.356 5.482 -1.931
105 HB2 MET 14 2HB MET 14 2.130 7.372 -1.348
106 HB3 MET 14 1HB MET 14 3.303 7.695 -2.620
107 HG2 MET 14 2HG MET 14 1.260 6.652 -3.385
108 HG3 MET 14 1HG MET 14 2.681 5.737 -3.758
109 HE1 MET 14 3HE MET 14 3.369 3.803 -1.648
110 HE2 MET 14 1HE MET 14 2.901 3.206 -3.240
111 HE3 MET 14 2HE MET 14 2.214 2.476 -1.788
112 H ASP 15 H ASP 15 3.802 7.196 0.985
113 HA ASP 15 HA ASP 15 5.757 9.211 0.805
114 HB2 ASP 15 2HB ASP 15 4.055 9.309 2.493
115 HB3 ASP 15 1HB ASP 15 4.579 7.783 3.191
116 H LEU 16 H LEU 16 5.978 5.746 1.666
117 HA LEU 16 HA LEU 16 8.547 5.609 2.570
118 HB2 LEU 16 2HB LEU 16 6.561 4.079 1.030
119 HB3 LEU 16 1HB LEU 16 8.172 3.461 1.082
120 HG LEU 16 HG LEU 16 8.071 3.088 3.336
121 HD11 LEU 16 1HD1 LEU 16 7.167 5.171 4.115
122 HD12 LEU 16 2HD1 LEU 16 6.266 3.825 4.815
123 HD13 LEU 16 3HD1 LEU 16 5.589 4.733 3.462
124 HD21 LEU 16 3HD2 LEU 16 5.387 2.481 2.197
125 HD22 LEU 16 1HD2 LEU 16 6.035 1.750 3.668
126 HD23 LEU 16 2HD2 LEU 16 6.822 1.457 2.116
127 H GLY 17 H GLY 17 7.357 6.548 -0.484
128 HA2 GLY 17 2HA GLY 17 8.899 7.607 -2.081
129 HA3 GLY 17 1HA GLY 17 10.018 6.285 -1.751
130 H PHE 18 H PHE 18 7.034 5.053 -1.635
131 HA PHE 18 HA PHE 18 7.412 3.621 -4.092
132 HB2 PHE 18 2HB PHE 18 5.563 3.368 -1.746
133 HB3 PHE 18 1HB PHE 18 5.544 2.237 -3.075
134 HD1 PHE 18 2HD PHE 18 8.288 1.878 -3.798
135 HD2 PHE 18 1HD PHE 18 6.473 2.398 -0.037
136 HE1 PHE 18 2HE PHE 18 10.180 0.723 -2.710
137 HE2 PHE 18 1HE PHE 18 8.262 1.308 1.006
138 HZ PHE 18 HZ PHE 18 10.131 0.467 -0.259
139 HA PRO 19 HA PRO 19 4.206 5.698 -6.386
140 HB2 PRO 19 2HB PRO 19 3.671 3.916 -8.242
141 HB3 PRO 19 1HB PRO 19 5.318 4.535 -8.100
142 HG2 PRO 19 2HG PRO 19 4.204 2.028 -6.932
143 HG3 PRO 19 1HG PRO 19 5.584 2.260 -8.007
144 HD2 PRO 19 2HD PRO 19 5.913 2.131 -5.333
145 HD3 PRO 19 1HD PRO 19 6.914 3.189 -6.345
146 H ARG 20 H ARG 20 2.010 5.432 -7.075
147 HA ARG 20 HA ARG 20 0.235 4.612 -5.056
148 HB2 ARG 20 2HB ARG 20 -0.370 6.314 -6.648
149 HB3 ARG 20 1HB ARG 20 -0.134 5.218 -7.991
150 HG2 ARG 20 2HG ARG 20 -2.010 3.911 -7.322
151 HG3 ARG 20 1HG ARG 20 -2.236 4.920 -5.905
152 HD2 ARG 20 2HD ARG 20 -2.454 6.868 -7.546
153 HD3 ARG 20 1HD ARG 20 -2.617 5.633 -8.793
154 HE ARG 20 HE ARG 20 -4.481 5.983 -6.528
155 HH11 ARG 20 1HH1 ARG 20 -3.788 4.922 -9.797
156 HH12 ARG 20 2HH1 ARG 20 -5.464 4.704 -10.215
157 HH21 ARG 20 1HH2 ARG 20 -6.664 5.705 -7.067
158 HH22 ARG 20 2HH2 ARG 20 -7.109 5.162 -8.655
159 H ASP 21 H ASP 21 1.239 3.203 -8.050
160 HA ASP 21 HA ASP 21 -0.195 0.872 -8.254
161 HB2 ASP 21 2HB ASP 21 1.319 1.465 -9.981
162 HB3 ASP 21 1HB ASP 21 2.681 1.519 -8.873
163 H ALA 22 H ALA 22 2.425 1.611 -6.039
164 HA ALA 22 HA ALA 22 2.870 -1.086 -5.226
165 HB1 ALA 22 1HB ALA 22 3.667 1.446 -3.807
166 HB2 ALA 22 2HB ALA 22 4.608 0.639 -5.062
167 HB3 ALA 22 3HB ALA 22 4.313 -0.171 -3.524
168 H VAL 23 H VAL 23 0.744 1.517 -4.046
169 HA VAL 23 HA VAL 23 0.120 0.260 -1.588
170 HB VAL 23 HB VAL 23 -0.583 2.675 -2.714
171 HG11 VAL 23 1HG1 VAL 23 -2.385 1.613 -3.952
172 HG12 VAL 23 2HG1 VAL 23 -2.991 2.780 -2.770
173 HG13 VAL 23 3HG1 VAL 23 -3.090 1.045 -2.434
174 HG21 VAL 23 3HG2 VAL 23 -0.295 2.216 -0.357
175 HG22 VAL 23 1HG2 VAL 23 -1.814 1.306 -0.341
176 HG23 VAL 23 2HG2 VAL 23 -1.827 3.042 -0.657
177 H VAL 24 H VAL 24 -1.306 0.262 -4.734
178 HA VAL 24 HA VAL 24 -3.368 -1.473 -3.987
179 HB VAL 24 HB VAL 24 -2.277 -0.580 -6.624
180 HG11 VAL 24 1HG1 VAL 24 -3.025 -2.877 -6.990
181 HG12 VAL 24 2HG1 VAL 24 -4.179 -1.752 -7.714
182 HG13 VAL 24 3HG1 VAL 24 -4.549 -2.533 -6.172
183 HG21 VAL 24 3HG2 VAL 24 -3.569 1.018 -5.422
184 HG22 VAL 24 1HG2 VAL 24 -4.831 -0.169 -5.077
185 HG23 VAL 24 2HG2 VAL 24 -4.586 0.408 -6.731
186 H LYS 25 H LYS 25 -0.248 -2.232 -5.578
187 HA LYS 25 HA LYS 25 -0.797 -4.972 -5.923
188 HB2 LYS 25 2HB LYS 25 1.746 -3.415 -5.542
189 HB3 LYS 25 1HB LYS 25 1.772 -5.168 -5.660
190 HG2 LYS 25 2HG LYS 25 0.920 -5.119 -7.866
191 HG3 LYS 25 1HG LYS 25 0.545 -3.395 -7.750
192 HD2 LYS 25 2HD LYS 25 2.850 -2.823 -7.652
193 HD3 LYS 25 1HD LYS 25 3.324 -4.516 -7.500
194 HE2 LYS 25 2HE LYS 25 2.667 -4.983 -9.736
195 HE3 LYS 25 1HE LYS 25 1.888 -3.407 -9.898
196 HZ1 LYS 25 3HZ LYS 25 4.092 -3.534 -10.971
197 HZ2 LYS 25 1HZ LYS 25 4.797 -3.793 -9.451
198 HZ3 LYS 25 2HZ LYS 25 3.996 -2.335 -9.779
199 H ALA 26 H ALA 26 0.418 -3.124 -3.190
200 HA ALA 26 HA ALA 26 1.191 -5.549 -1.795
201 HB1 ALA 26 1HB ALA 26 1.247 -2.678 -0.874
202 HB2 ALA 26 2HB ALA 26 2.587 -3.550 -1.622
203 HB3 ALA 26 3HB ALA 26 1.983 -4.050 -0.041
204 H LEU 27 H LEU 27 -1.211 -3.002 -1.505
205 HA LEU 27 HA LEU 27 -2.275 -4.053 0.904
206 HB2 LEU 27 2HB LEU 27 -3.289 -2.070 -1.099
207 HB3 LEU 27 1HB LEU 27 -4.147 -2.457 0.368
208 HG LEU 27 HG LEU 27 -2.722 -0.333 0.235
209 HD11 LEU 27 1HD1 LEU 27 -2.337 -2.242 2.503
210 HD12 LEU 27 2HD1 LEU 27 -3.727 -1.180 2.276
211 HD13 LEU 27 3HD1 LEU 27 -2.130 -0.493 2.585
212 HD21 LEU 27 3HD2 LEU 27 -0.432 -0.527 0.871
213 HD22 LEU 27 1HD2 LEU 27 -0.749 -1.341 -0.663
214 HD23 LEU 27 2HD2 LEU 27 -0.572 -2.288 0.812
215 H LYS 28 H LYS 28 -2.813 -4.535 -2.529
216 HA LYS 28 HA LYS 28 -5.148 -6.038 -2.388
217 HB2 LYS 28 2HB LYS 28 -2.888 -5.927 -4.255
218 HB3 LYS 28 1HB LYS 28 -3.831 -7.413 -4.279
219 HG2 LYS 28 2HG LYS 28 -5.806 -6.280 -4.850
220 HG3 LYS 28 1HG LYS 28 -5.109 -4.702 -4.454
221 HD2 LYS 28 2HD LYS 28 -5.157 -4.979 -6.851
222 HD3 LYS 28 1HD LYS 28 -3.492 -5.008 -6.258
223 HE2 LYS 28 2HE LYS 28 -3.449 -7.427 -6.391
224 HE3 LYS 28 1HE LYS 28 -5.139 -7.452 -6.893
225 HZ1 LYS 28 3HZ LYS 28 -3.716 -7.726 -8.789
226 HZ2 LYS 28 1HZ LYS 28 -2.862 -6.306 -8.420
227 HZ3 LYS 28 2HZ LYS 28 -4.487 -6.221 -8.897
228 H GLN 29 H GLN 29 -1.729 -7.191 -1.988
229 HA GLN 29 HA GLN 29 -2.695 -9.860 -1.617
230 HB2 GLN 29 2HB GLN 29 -0.353 -10.355 -1.252
231 HB3 GLN 29 1HB GLN 29 -0.598 -9.407 -2.668
232 HG2 GLN 29 2HG GLN 29 -0.027 -7.423 -1.122
233 HG3 GLN 29 1HG GLN 29 0.715 -8.691 -0.154
234 HE21 GLN 29 1HE2 GLN 29 1.900 -6.478 -1.692
235 HE22 GLN 29 2HE2 GLN 29 3.021 -7.207 -2.776
236 H THR 30 H THR 30 -1.719 -7.253 0.448
237 HA THR 30 HA THR 30 -1.879 -8.825 2.867
238 HB THR 30 HB THR 30 -1.541 -6.618 3.964
239 HG1 THR 30 1HG THR 30 -1.078 -5.558 1.396
240 HG21 THR 30 3HG2 THR 30 0.360 -8.051 3.319
241 HG22 THR 30 1HG2 THR 30 0.767 -6.339 3.192
242 HG23 THR 30 2HG2 THR 30 0.392 -7.268 1.736
243 H ASN 31 H ASN 31 -4.048 -7.268 0.879
244 HA ASN 31 HA ASN 31 -6.205 -6.662 0.971
245 HB2 ASN 31 2HB ASN 31 -6.190 -8.143 3.613
246 HB3 ASN 31 1HB ASN 31 -7.638 -7.555 2.807
247 HD21 ASN 31 1HD2 ASN 31 -6.955 -8.240 0.148
248 HD22 ASN 31 2HD2 ASN 31 -6.933 -9.964 0.028
249 H GLY 32 H GLY 32 -4.580 -4.617 1.481
250 HA2 GLY 32 2HA GLY 32 -5.055 -2.469 1.968
251 HA3 GLY 32 1HA GLY 32 -6.498 -2.999 2.810
252 H ASN 33 H ASN 33 -4.014 -4.649 4.452
253 HA ASN 33 HA ASN 33 -4.159 -2.590 6.427
254 HB2 ASN 33 2HB ASN 33 -3.375 -4.202 7.967
255 HB3 ASN 33 1HB ASN 33 -4.605 -4.926 6.986
256 HD21 ASN 33 1HD2 ASN 33 -2.309 -5.079 4.896
257 HD22 ASN 33 2HD2 ASN 33 -1.542 -6.555 5.346
258 H ALA 34 H ALA 34 -2.851 -0.993 6.490
259 HA ALA 34 HA ALA 34 -1.038 -0.612 4.474
260 HB1 ALA 34 1HB ALA 34 -1.167 0.958 7.029
261 HB2 ALA 34 2HB ALA 34 -2.241 1.172 5.647
262 HB3 ALA 34 3HB ALA 34 -0.517 1.507 5.483
263 H GLU 35 H GLU 35 -0.138 -1.085 7.896
264 HA GLU 35 HA GLU 35 2.492 -0.717 7.609
265 HB2 GLU 35 2HB GLU 35 0.741 -1.342 9.550
266 HB3 GLU 35 1HB GLU 35 1.748 -2.755 9.484
267 HG2 GLU 35 2HG GLU 35 2.959 -0.095 9.576
268 HG3 GLU 35 1HG GLU 35 2.279 -0.777 11.025
269 H PHE 36 H PHE 36 0.661 -3.517 7.566
270 HA PHE 36 HA PHE 36 2.685 -5.402 7.098
271 HB2 PHE 36 2HB PHE 36 -0.290 -5.313 6.890
272 HB3 PHE 36 1HB PHE 36 0.541 -6.709 6.246
273 HD1 PHE 36 1HD PHE 36 0.958 -4.553 9.214
274 HD2 PHE 36 2HD PHE 36 0.436 -8.503 7.755
275 HE1 PHE 36 1HE PHE 36 1.112 -5.354 11.434
276 HE2 PHE 36 2HE PHE 36 0.590 -9.359 10.064
277 HZ PHE 36 HZ PHE 36 0.931 -7.778 11.933
278 H ALA 37 H ALA 37 0.650 -3.491 5.000
279 HA ALA 37 HA ALA 37 1.220 -4.930 2.627
280 HB1 ALA 37 1HB ALA 37 -0.760 -3.573 2.927
281 HB2 ALA 37 2HB ALA 37 0.180 -3.025 1.539
282 HB3 ALA 37 3HB ALA 37 0.243 -2.130 3.056
283 H ALA 38 H ALA 38 2.455 -1.954 4.038
284 HA ALA 38 HA ALA 38 4.231 -1.229 2.041
285 HB1 ALA 38 1HB ALA 38 5.398 0.034 3.792
286 HB2 ALA 38 2HB ALA 38 4.444 -0.808 5.014
287 HB3 ALA 38 3HB ALA 38 3.652 0.261 3.857
288 H SER 39 H SER 39 4.577 -3.454 4.744
289 HA SER 39 HA SER 39 7.422 -3.639 4.465
290 HB2 SER 39 2HB SER 39 5.479 -5.323 6.074
291 HB3 SER 39 1HB SER 39 7.235 -5.310 6.259
292 HG SER 39 HG SER 39 5.332 -3.395 7.015
293 H LEU 40 H LEU 40 4.607 -5.008 3.231
294 HA LEU 40 HA LEU 40 5.798 -7.425 2.255
295 HB2 LEU 40 2HB LEU 40 3.347 -6.839 2.985
296 HB3 LEU 40 1HB LEU 40 3.217 -6.257 1.351
297 HG LEU 40 HG LEU 40 2.324 -8.478 1.384
298 HD11 LEU 40 1HD1 LEU 40 5.131 -8.668 0.304
299 HD12 LEU 40 2HD1 LEU 40 3.725 -8.049 -0.564
300 HD13 LEU 40 3HD1 LEU 40 3.789 -9.745 -0.089
301 HD21 LEU 40 3HD2 LEU 40 3.277 -9.169 3.513
302 HD22 LEU 40 1HD2 LEU 40 4.865 -9.330 2.759
303 HD23 LEU 40 2HD2 LEU 40 3.545 -10.393 2.271
304 H LEU 41 H LEU 41 4.807 -4.189 1.057
305 HA LEU 41 HA LEU 41 5.345 -4.847 -1.632
306 HB2 LEU 41 2HB LEU 41 4.865 -2.645 -2.164
307 HB3 LEU 41 1HB LEU 41 3.824 -3.063 -0.821
308 HG LEU 41 HG LEU 41 5.477 -1.864 0.658
309 HD11 LEU 41 1HD1 LEU 41 6.933 -0.294 -0.373
310 HD12 LEU 41 2HD1 LEU 41 6.410 -0.827 -1.973
311 HD13 LEU 41 3HD1 LEU 41 7.289 -1.935 -0.913
312 HD21 LEU 41 3HD2 LEU 41 3.327 -0.958 0.060
313 HD22 LEU 41 1HD2 LEU 41 3.986 -0.346 -1.458
314 HD23 LEU 41 2HD2 LEU 41 4.548 0.318 0.079
315 H PHE 42 H PHE 42 7.196 -3.856 1.031
316 HA PHE 42 HA PHE 42 9.509 -2.859 -0.001
317 HB2 PHE 42 2HB PHE 42 8.692 -4.223 2.424
318 HB3 PHE 42 1HB PHE 42 10.387 -4.480 2.036
319 HD1 PHE 42 1HD PHE 42 7.823 -1.998 2.147
320 HD2 PHE 42 2HD PHE 42 11.918 -2.800 2.738
321 HE1 PHE 42 1HE PHE 42 8.125 0.258 2.905
322 HE2 PHE 42 2HE PHE 42 12.272 -0.490 3.551
323 HZ PHE 42 HZ PHE 42 10.353 1.069 3.636
324 H GLN 43 H GLN 43 8.144 -5.963 -0.487
325 HA GLN 43 HA GLN 43 10.441 -7.538 -0.826
326 HB2 GLN 43 2HB GLN 43 8.968 -9.172 -1.206
327 HB3 GLN 43 1HB GLN 43 7.722 -7.975 -0.927
328 HG2 GLN 43 2HG GLN 43 8.874 -8.301 -3.649
329 HG3 GLN 43 1HG GLN 43 7.708 -9.477 -3.072
330 HE21 GLN 43 1HE2 GLN 43 6.003 -7.605 -1.675
331 HE22 GLN 43 2HE2 GLN 43 5.222 -6.638 -2.880
332 H SER 44 H SER 44 9.116 -5.100 -2.770
333 HA SER 44 HA SER 44 10.853 -5.896 -5.009
334 HB2 SER 44 2HB SER 44 9.465 -4.277 -6.365
335 HB3 SER 44 1HB SER 44 8.576 -5.678 -5.763
336 HG SER 44 HG SER 44 8.648 -3.333 -4.225
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -15.984 4.459 0.464
2 H2 GLY 1 2HT GLY 1 -14.333 4.093 0.617
3 H3 GLY 1 3HT GLY 1 -15.494 3.009 1.198
4 HA2 GLY 1 1HA GLY 1 -16.278 2.582 -1.038
5 HA3 GLY 1 2HA GLY 1 -15.093 3.730 -1.654
6 H SER 2 H SER 2 -12.921 3.155 -1.727
7 HA SER 2 HA SER 2 -12.409 0.289 -1.543
8 HB2 SER 2 2HB SER 2 -10.211 0.939 -2.614
9 HB3 SER 2 1HB SER 2 -11.640 1.329 -3.572
10 HG SER 2 HG SER 2 -10.283 3.144 -1.857
11 H ALA 3 H ALA 3 -12.283 -0.105 0.654
12 HA ALA 3 HA ALA 3 -10.801 1.629 2.405
13 HB1 ALA 3 1HB ALA 3 -12.846 0.512 3.148
14 HB2 ALA 3 2HB ALA 3 -11.471 0.087 4.166
15 HB3 ALA 3 3HB ALA 3 -12.058 -1.054 2.957
16 H THR 4 H THR 4 -9.794 -0.652 0.271
17 HA THR 4 HA THR 4 -7.732 -1.775 1.911
18 HB THR 4 HB THR 4 -7.069 -2.904 -0.291
19 HG1 THR 4 1HG THR 4 -9.735 -2.338 -1.029
20 HG21 THR 4 3HG2 THR 4 -8.801 -4.599 -0.036
21 HG22 THR 4 1HG2 THR 4 -9.780 -3.481 0.915
22 HG23 THR 4 2HG2 THR 4 -8.236 -4.059 1.545
23 H PHE 5 H PHE 5 -7.999 0.212 -0.708
24 HA PHE 5 HA PHE 5 -5.205 1.057 -0.687
25 HB2 PHE 5 2HB PHE 5 -7.206 1.162 -2.797
26 HB3 PHE 5 1HB PHE 5 -5.467 1.246 -3.044
27 HD1 PHE 5 1HD PHE 5 -4.732 -0.914 -1.307
28 HD2 PHE 5 2HD PHE 5 -7.826 -0.727 -4.166
29 HE1 PHE 5 1HE PHE 5 -4.663 -3.182 -1.493
30 HE2 PHE 5 2HE PHE 5 -7.752 -3.210 -4.332
31 HZ PHE 5 HZ PHE 5 -6.104 -4.418 -2.878
32 HA PRO 6 HA PRO 6 -8.089 4.931 -0.458
33 HB2 PRO 6 2HB PRO 6 -8.053 5.452 2.172
34 HB3 PRO 6 1HB PRO 6 -9.250 4.426 1.406
35 HG2 PRO 6 2HG PRO 6 -6.849 3.633 2.843
36 HG3 PRO 6 1HG PRO 6 -8.496 3.023 2.945
37 HD2 PRO 6 2HD PRO 6 -6.626 1.775 1.476
38 HD3 PRO 6 1HD PRO 6 -8.300 1.776 0.989
39 H GLU 7 H GLU 7 -7.320 7.016 -0.137
40 HA GLU 7 HA GLU 7 -4.636 7.332 -0.773
41 HB2 GLU 7 2HB GLU 7 -6.721 9.286 0.180
42 HB3 GLU 7 1HB GLU 7 -5.121 9.773 -0.342
43 HG2 GLU 7 2HG GLU 7 -5.516 8.909 -2.549
44 HG3 GLU 7 1HG GLU 7 -7.073 8.254 -2.043
45 H GLN 8 H GLN 8 -6.251 7.443 2.348
46 HA GLN 8 HA GLN 8 -4.339 8.541 3.956
47 HB2 GLN 8 2HB GLN 8 -6.600 7.501 4.517
48 HB3 GLN 8 1HB GLN 8 -5.752 5.982 4.671
49 HG2 GLN 8 2HG GLN 8 -5.985 6.874 6.804
50 HG3 GLN 8 1HG GLN 8 -4.337 7.184 6.306
51 HE21 GLN 8 1HE2 GLN 8 -6.351 8.512 8.112
52 HE22 GLN 8 2HE2 GLN 8 -6.252 10.179 7.689
53 H THR 9 H THR 9 -4.539 5.068 3.111
54 HA THR 9 HA THR 9 -2.049 4.484 4.236
55 HB THR 9 HB THR 9 -2.478 2.253 3.153
56 HG1 THR 9 1HG THR 9 -4.415 1.938 2.167
57 HG21 THR 9 3HG2 THR 9 -3.002 2.701 5.492
58 HG22 THR 9 1HG2 THR 9 -4.220 1.651 4.763
59 HG23 THR 9 2HG2 THR 9 -4.562 3.362 5.007
60 H ILE 10 H ILE 10 -3.309 4.908 1.083
61 HA ILE 10 HA ILE 10 -1.225 4.256 -0.538
62 HB ILE 10 HB ILE 10 -3.128 6.564 -0.749
63 HG12 ILE 10 2HG1 ILE 10 -3.025 3.872 -2.112
64 HG13 ILE 10 1HG1 ILE 10 -4.146 4.348 -0.841
65 HG21 ILE 10 1HG2 ILE 10 -2.486 6.697 -3.099
66 HG22 ILE 10 2HG2 ILE 10 -1.222 5.503 -2.810
67 HG23 ILE 10 3HG2 ILE 10 -1.143 7.076 -2.021
68 HD11 ILE 10 3HD1 ILE 10 -3.948 5.601 -3.548
69 HD12 ILE 10 1HD1 ILE 10 -5.087 6.033 -2.278
70 HD13 ILE 10 2HD1 ILE 10 -5.171 4.440 -3.031
71 H LYS 11 H LYS 11 -1.849 7.427 0.873
72 HA LYS 11 HA LYS 11 0.595 8.392 -0.124
73 HB2 LYS 11 2HB LYS 11 -1.274 9.591 1.892
74 HB3 LYS 11 1HB LYS 11 0.089 10.438 1.176
75 HG2 LYS 11 2HG LYS 11 -0.890 10.410 -0.961
76 HG3 LYS 11 1HG LYS 11 -2.091 9.201 -0.473
77 HD2 LYS 11 2HD LYS 11 -3.146 10.826 0.997
78 HD3 LYS 11 1HD LYS 11 -1.909 12.019 0.606
79 HE2 LYS 11 2HE LYS 11 -3.801 10.793 -1.396
80 HE3 LYS 11 1HE LYS 11 -4.053 12.350 -0.613
81 HZ1 LYS 11 3HZ LYS 11 -3.084 12.612 -2.804
82 HZ2 LYS 11 1HZ LYS 11 -1.757 11.648 -2.370
83 HZ3 LYS 11 2HZ LYS 11 -2.002 13.146 -1.612
84 H GLN 12 H GLN 12 -0.294 6.930 2.924
85 HA GLN 12 HA GLN 12 1.983 7.583 4.343
86 HB2 GLN 12 2HB GLN 12 -0.189 5.602 4.352
87 HB3 GLN 12 1HB GLN 12 1.280 5.085 5.135
88 HG2 GLN 12 2HG GLN 12 -0.414 7.456 5.787
89 HG3 GLN 12 1HG GLN 12 -0.089 6.047 6.794
90 HE21 GLN 12 1HE2 GLN 12 1.187 8.989 5.490
91 HE22 GLN 12 2HE2 GLN 12 2.549 9.117 6.538
92 H LEU 13 H LEU 13 1.343 5.065 1.987
93 HA LEU 13 HA LEU 13 3.814 3.734 2.580
94 HB2 LEU 13 2HB LEU 13 1.660 3.087 0.591
95 HB3 LEU 13 1HB LEU 13 2.996 2.059 1.042
96 HG LEU 13 HG LEU 13 0.817 2.998 2.839
97 HD11 LEU 13 1HD1 LEU 13 0.170 0.636 2.937
98 HD12 LEU 13 2HD1 LEU 13 1.446 0.245 1.784
99 HD13 LEU 13 3HD1 LEU 13 0.092 1.259 1.288
100 HD21 LEU 13 3HD2 LEU 13 3.177 1.227 3.426
101 HD22 LEU 13 1HD2 LEU 13 1.816 1.496 4.515
102 HD23 LEU 13 2HD2 LEU 13 2.872 2.839 4.077
103 H MET 14 H MET 14 2.206 5.358 -0.148
104 HA MET 14 HA MET 14 4.391 5.436 -1.852
105 HB2 MET 14 2HB MET 14 2.007 7.131 -1.312
106 HB3 MET 14 1HB MET 14 3.149 7.554 -2.577
107 HG2 MET 14 2HG MET 14 1.239 6.330 -3.372
108 HG3 MET 14 1HG MET 14 2.728 5.501 -3.684
109 HE1 MET 14 3HE MET 14 3.460 3.652 -1.452
110 HE2 MET 14 1HE MET 14 3.106 3.012 -3.057
111 HE3 MET 14 2HE MET 14 2.389 2.259 -1.632
112 H ASP 15 H ASP 15 3.657 7.120 1.041
113 HA ASP 15 HA ASP 15 5.446 9.275 0.905
114 HB2 ASP 15 2HB ASP 15 3.735 9.212 2.572
115 HB3 ASP 15 1HB ASP 15 4.372 7.721 3.259
116 H LEU 16 H LEU 16 5.991 5.827 1.865
117 HA LEU 16 HA LEU 16 8.585 6.097 2.758
118 HB2 LEU 16 2HB LEU 16 6.973 4.095 1.321
119 HB3 LEU 16 1HB LEU 16 8.642 3.812 1.620
120 HG LEU 16 HG LEU 16 7.622 2.801 3.317
121 HD11 LEU 16 1HD1 LEU 16 9.406 4.160 4.173
122 HD12 LEU 16 2HD1 LEU 16 8.103 4.072 5.360
123 HD13 LEU 16 3HD1 LEU 16 8.289 5.514 4.357
124 HD21 LEU 16 3HD2 LEU 16 5.420 3.625 2.893
125 HD22 LEU 16 1HD2 LEU 16 5.844 5.138 3.683
126 HD23 LEU 16 2HD2 LEU 16 5.794 3.640 4.618
127 H GLY 17 H GLY 17 7.246 6.577 -0.329
128 HA2 GLY 17 2HA GLY 17 8.673 7.847 -1.925
129 HA3 GLY 17 1HA GLY 17 9.909 6.631 -1.613
130 H PHE 18 H PHE 18 6.977 5.191 -1.491
131 HA PHE 18 HA PHE 18 7.532 3.706 -3.867
132 HB2 PHE 18 2HB PHE 18 5.496 3.499 -1.688
133 HB3 PHE 18 1HB PHE 18 5.640 2.309 -2.960
134 HD1 PHE 18 2HD PHE 18 8.561 2.136 -3.322
135 HD2 PHE 18 1HD PHE 18 6.149 2.511 0.075
136 HE1 PHE 18 2HE PHE 18 10.318 1.066 -1.948
137 HE2 PHE 18 1HE PHE 18 7.796 1.505 1.423
138 HZ PHE 18 HZ PHE 18 9.891 0.766 0.465
139 HA PRO 19 HA PRO 19 4.404 5.317 -6.568
140 HB2 PRO 19 2HB PRO 19 3.903 3.223 -8.066
141 HB3 PRO 19 1HB PRO 19 5.564 3.813 -7.965
142 HG2 PRO 19 2HG PRO 19 4.311 1.626 -6.372
143 HG3 PRO 19 1HG PRO 19 5.729 1.585 -7.423
144 HD2 PRO 19 2HD PRO 19 5.990 1.998 -4.753
145 HD3 PRO 19 1HD PRO 19 7.045 2.816 -5.937
146 H ARG 20 H ARG 20 2.216 4.873 -7.319
147 HA ARG 20 HA ARG 20 0.433 4.481 -5.127
148 HB2 ARG 20 2HB ARG 20 -0.135 6.044 -6.863
149 HB3 ARG 20 1HB ARG 20 0.071 4.832 -8.108
150 HG2 ARG 20 2HG ARG 20 -1.847 3.643 -7.343
151 HG3 ARG 20 1HG ARG 20 -2.031 4.761 -6.007
152 HD2 ARG 20 2HD ARG 20 -2.246 6.592 -7.736
153 HD3 ARG 20 1HD ARG 20 -2.371 5.311 -8.939
154 HE ARG 20 HE ARG 20 -4.392 6.133 -7.042
155 HH11 ARG 20 1HH1 ARG 20 -3.287 3.598 -9.200
156 HH12 ARG 20 2HH1 ARG 20 -4.843 2.822 -9.290
157 HH21 ARG 20 1HH2 ARG 20 -6.436 5.135 -7.184
158 HH22 ARG 20 2HH2 ARG 20 -6.637 3.700 -8.138
159 H ASP 21 H ASP 21 1.409 2.732 -7.935
160 HA ASP 21 HA ASP 21 -0.240 0.504 -7.864
161 HB2 ASP 21 2HB ASP 21 2.675 0.688 -8.652
162 HB3 ASP 21 1HB ASP 21 1.646 -0.702 -8.977
163 H ALA 22 H ALA 22 2.424 1.377 -5.797
164 HA ALA 22 HA ALA 22 2.934 -1.249 -4.825
165 HB1 ALA 22 1HB ALA 22 4.318 -0.188 -3.149
166 HB2 ALA 22 2HB ALA 22 3.652 1.390 -3.568
167 HB3 ALA 22 3HB ALA 22 4.635 0.508 -4.738
168 H VAL 23 H VAL 23 0.808 1.426 -3.769
169 HA VAL 23 HA VAL 23 0.075 0.186 -1.331
170 HB VAL 23 HB VAL 23 -0.544 2.606 -2.449
171 HG11 VAL 23 1HG1 VAL 23 -3.083 1.004 -2.371
172 HG12 VAL 23 2HG1 VAL 23 -2.283 1.611 -3.827
173 HG13 VAL 23 3HG1 VAL 23 -2.952 2.746 -2.648
174 HG21 VAL 23 3HG2 VAL 23 -1.915 2.951 -0.473
175 HG22 VAL 23 1HG2 VAL 23 -0.423 2.089 -0.090
176 HG23 VAL 23 2HG2 VAL 23 -1.961 1.209 -0.204
177 H VAL 24 H VAL 24 -1.233 0.191 -4.522
178 HA VAL 24 HA VAL 24 -3.375 -1.449 -3.815
179 HB VAL 24 HB VAL 24 -2.160 -0.658 -6.426
180 HG11 VAL 24 1HG1 VAL 24 -2.947 -2.931 -6.799
181 HG12 VAL 24 2HG1 VAL 24 -4.066 -1.799 -7.564
182 HG13 VAL 24 3HG1 VAL 24 -4.487 -2.556 -6.023
183 HG21 VAL 24 3HG2 VAL 24 -4.747 -0.125 -4.982
184 HG22 VAL 24 1HG2 VAL 24 -4.453 0.371 -6.653
185 HG23 VAL 24 2HG2 VAL 24 -3.450 1.013 -5.352
186 H LYS 25 H LYS 25 -0.236 -2.362 -5.244
187 HA LYS 25 HA LYS 25 -0.972 -5.073 -5.555
188 HB2 LYS 25 2HB LYS 25 1.736 -3.786 -5.205
189 HB3 LYS 25 1HB LYS 25 1.499 -5.483 -5.602
190 HG2 LYS 25 2HG LYS 25 0.491 -4.936 -7.689
191 HG3 LYS 25 1HG LYS 25 0.440 -3.223 -7.277
192 HD2 LYS 25 2HD LYS 25 2.269 -3.665 -8.806
193 HD3 LYS 25 1HD LYS 25 2.887 -3.174 -7.227
194 HE2 LYS 25 2HE LYS 25 3.397 -5.459 -6.662
195 HE3 LYS 25 1HE LYS 25 2.629 -6.035 -8.141
196 HZ1 LYS 25 3HZ LYS 25 5.014 -5.999 -8.388
197 HZ2 LYS 25 1HZ LYS 25 5.071 -4.350 -7.987
198 HZ3 LYS 25 2HZ LYS 25 4.315 -4.852 -9.419
199 H ALA 26 H ALA 26 0.340 -3.242 -2.833
200 HA ALA 26 HA ALA 26 0.987 -5.646 -1.385
201 HB1 ALA 26 1HB ALA 26 1.114 -2.745 -0.583
202 HB2 ALA 26 2HB ALA 26 2.447 -3.700 -1.233
203 HB3 ALA 26 3HB ALA 26 1.760 -4.100 0.342
204 H LEU 27 H LEU 27 -1.331 -2.972 -1.209
205 HA LEU 27 HA LEU 27 -2.526 -3.958 1.155
206 HB2 LEU 27 2HB LEU 27 -3.448 -2.017 -0.942
207 HB3 LEU 27 1HB LEU 27 -4.372 -2.366 0.494
208 HG LEU 27 HG LEU 27 -2.930 -0.233 0.378
209 HD11 LEU 27 1HD1 LEU 27 -2.487 -0.323 2.749
210 HD12 LEU 27 2HD1 LEU 27 -2.611 -2.081 2.714
211 HD13 LEU 27 3HD1 LEU 27 -4.034 -1.092 2.396
212 HD21 LEU 27 3HD2 LEU 27 -0.836 -2.214 1.063
213 HD22 LEU 27 1HD2 LEU 27 -0.672 -0.459 1.136
214 HD23 LEU 27 2HD2 LEU 27 -0.938 -1.264 -0.417
215 H LYS 28 H LYS 28 -2.864 -4.550 -2.267
216 HA LYS 28 HA LYS 28 -5.203 -6.044 -2.290
217 HB2 LYS 28 2HB LYS 28 -2.843 -5.867 -3.982
218 HB3 LYS 28 1HB LYS 28 -3.579 -7.465 -3.990
219 HG2 LYS 28 2HG LYS 28 -5.596 -6.664 -4.835
220 HG3 LYS 28 1HG LYS 28 -5.222 -4.998 -4.391
221 HD2 LYS 28 2HD LYS 28 -4.987 -5.254 -6.770
222 HD3 LYS 28 1HD LYS 28 -3.404 -4.999 -6.028
223 HE2 LYS 28 2HE LYS 28 -2.902 -7.350 -6.184
224 HE3 LYS 28 1HE LYS 28 -4.528 -7.696 -6.770
225 HZ1 LYS 28 3HZ LYS 28 -2.529 -6.017 -8.192
226 HZ2 LYS 28 1HZ LYS 28 -4.073 -6.436 -8.755
227 HZ3 LYS 28 2HZ LYS 28 -2.891 -7.633 -8.562
228 H GLN 29 H GLN 29 -1.836 -7.273 -1.637
229 HA GLN 29 HA GLN 29 -2.875 -9.914 -1.393
230 HB2 GLN 29 2HB GLN 29 -0.698 -10.520 -1.232
231 HB3 GLN 29 1HB GLN 29 -0.521 -9.005 -2.051
232 HG2 GLN 29 2HG GLN 29 -0.471 -8.770 0.803
233 HG3 GLN 29 1HG GLN 29 0.778 -9.795 0.171
234 HE21 GLN 29 1HE2 GLN 29 1.044 -8.324 -2.326
235 HE22 GLN 29 2HE2 GLN 29 1.824 -6.839 -1.894
236 H THR 30 H THR 30 -2.001 -7.373 0.809
237 HA THR 30 HA THR 30 -2.389 -8.940 3.188
238 HB THR 30 HB THR 30 -2.042 -6.740 4.310
239 HG1 THR 30 1HG THR 30 -1.325 -5.656 1.820
240 HG21 THR 30 3HG2 THR 30 -0.151 -8.228 3.797
241 HG22 THR 30 1HG2 THR 30 0.316 -6.529 3.674
242 HG23 THR 30 2HG2 THR 30 0.001 -7.466 2.212
243 H ASN 31 H ASN 31 -4.363 -7.285 1.072
244 HA ASN 31 HA ASN 31 -6.486 -6.588 1.019
245 HB2 ASN 31 2HB ASN 31 -6.658 -8.208 3.554
246 HB3 ASN 31 1HB ASN 31 -8.043 -7.334 2.908
247 HD21 ASN 31 1HD2 ASN 31 -5.988 -10.070 2.576
248 HD22 ASN 31 2HD2 ASN 31 -6.842 -10.818 1.273
249 H GLY 32 H GLY 32 -4.831 -4.623 1.600
250 HA2 GLY 32 2HA GLY 32 -5.270 -2.458 1.991
251 HA3 GLY 32 1HA GLY 32 -6.782 -2.917 2.745
252 H ASN 33 H ASN 33 -4.054 -4.429 4.396
253 HA ASN 33 HA ASN 33 -4.382 -2.329 6.336
254 HB2 ASN 33 2HB ASN 33 -3.958 -3.779 8.039
255 HB3 ASN 33 1HB ASN 33 -4.878 -4.737 6.904
256 HD21 ASN 33 1HD2 ASN 33 -3.695 -5.947 5.450
257 HD22 ASN 33 2HD2 ASN 33 -2.278 -6.795 5.986
258 H ALA 34 H ALA 34 -2.790 -1.042 6.979
259 HA ALA 34 HA ALA 34 -1.006 -0.464 4.952
260 HB1 ALA 34 1HB ALA 34 -0.207 1.338 6.334
261 HB2 ALA 34 2HB ALA 34 -0.906 0.580 7.764
262 HB3 ALA 34 3HB ALA 34 -1.957 1.187 6.485
263 H GLU 35 H GLU 35 0.050 -1.438 8.248
264 HA GLU 35 HA GLU 35 2.632 -1.211 7.712
265 HB2 GLU 35 2HB GLU 35 1.224 -2.853 9.722
266 HB3 GLU 35 1HB GLU 35 2.952 -2.641 9.695
267 HG2 GLU 35 2HG GLU 35 0.963 -0.455 9.880
268 HG3 GLU 35 1HG GLU 35 1.837 -1.165 11.207
269 H PHE 36 H PHE 36 0.639 -3.918 7.416
270 HA PHE 36 HA PHE 36 2.601 -5.848 6.834
271 HB2 PHE 36 2HB PHE 36 -0.357 -5.607 6.589
272 HB3 PHE 36 1HB PHE 36 0.422 -6.953 5.789
273 HD1 PHE 36 1HD PHE 36 0.920 -5.176 8.979
274 HD2 PHE 36 2HD PHE 36 0.199 -8.910 7.091
275 HE1 PHE 36 1HE PHE 36 1.018 -6.220 11.097
276 HE2 PHE 36 2HE PHE 36 0.294 -10.021 9.295
277 HZ PHE 36 HZ PHE 36 0.704 -8.672 11.326
278 H ALA 37 H ALA 37 0.622 -3.731 4.863
279 HA ALA 37 HA ALA 37 1.264 -4.998 2.417
280 HB1 ALA 37 1HB ALA 37 0.220 -3.050 1.443
281 HB2 ALA 37 2HB ALA 37 0.264 -2.237 3.008
282 HB3 ALA 37 3HB ALA 37 -0.734 -3.677 2.788
283 H ALA 38 H ALA 38 2.465 -2.132 4.070
284 HA ALA 38 HA ALA 38 4.282 -1.262 2.170
285 HB1 ALA 38 1HB ALA 38 5.424 -0.122 3.992
286 HB2 ALA 38 2HB ALA 38 4.518 -1.074 5.166
287 HB3 ALA 38 3HB ALA 38 3.677 0.067 4.119
288 H SER 39 H SER 39 4.539 -3.744 4.638
289 HA SER 39 HA SER 39 7.391 -3.914 4.424
290 HB2 SER 39 2HB SER 39 5.388 -5.729 5.794
291 HB3 SER 39 1HB SER 39 7.140 -5.790 6.000
292 HG SER 39 HG SER 39 5.291 -3.883 6.917
293 H LEU 40 H LEU 40 4.590 -5.204 2.946
294 HA LEU 40 HA LEU 40 5.888 -7.434 1.742
295 HB2 LEU 40 2HB LEU 40 3.254 -6.400 2.155
296 HB3 LEU 40 1HB LEU 40 3.533 -6.605 0.476
297 HG LEU 40 HG LEU 40 2.482 -8.606 1.364
298 HD11 LEU 40 1HD1 LEU 40 4.112 -10.293 0.651
299 HD12 LEU 40 2HD1 LEU 40 5.378 -9.065 0.668
300 HD13 LEU 40 3HD1 LEU 40 4.034 -8.930 -0.465
301 HD21 LEU 40 3HD2 LEU 40 3.265 -8.361 3.675
302 HD22 LEU 40 1HD2 LEU 40 4.892 -8.812 3.167
303 HD23 LEU 40 2HD2 LEU 40 3.574 -9.978 3.044
304 H LEU 41 H LEU 41 4.796 -4.136 0.887
305 HA LEU 41 HA LEU 41 5.370 -4.491 -1.849
306 HB2 LEU 41 2HB LEU 41 4.767 -2.268 -2.139
307 HB3 LEU 41 1HB LEU 41 3.750 -2.883 -0.853
308 HG LEU 41 HG LEU 41 5.380 -1.791 0.746
309 HD11 LEU 41 1HD1 LEU 41 6.207 -0.461 -1.784
310 HD12 LEU 41 2HD1 LEU 41 7.164 -1.569 -0.799
311 HD13 LEU 41 3HD1 LEU 41 6.692 0.004 -0.152
312 HD21 LEU 41 3HD2 LEU 41 3.169 -0.933 0.305
313 HD22 LEU 41 1HD2 LEU 41 3.767 -0.097 -1.126
314 HD23 LEU 41 2HD2 LEU 41 4.330 0.388 0.475
315 H PHE 42 H PHE 42 7.126 -3.672 0.926
316 HA PHE 42 HA PHE 42 9.411 -2.464 0.108
317 HB2 PHE 42 2HB PHE 42 8.581 -4.051 2.342
318 HB3 PHE 42 1HB PHE 42 10.258 -4.392 1.933
319 HD1 PHE 42 1HD PHE 42 7.844 -1.808 2.420
320 HD2 PHE 42 2HD PHE 42 11.935 -2.834 2.633
321 HE1 PHE 42 1HE PHE 42 8.316 0.346 3.386
322 HE2 PHE 42 2HE PHE 42 12.452 -0.642 3.657
323 HZ PHE 42 HZ PHE 42 10.621 0.977 4.040
324 H GLN 43 H GLN 43 8.244 -5.575 -0.770
325 HA GLN 43 HA GLN 43 10.647 -6.943 -1.327
326 HB2 GLN 43 2HB GLN 43 9.374 -8.534 -2.379
327 HB3 GLN 43 1HB GLN 43 8.127 -7.731 -1.440
328 HG2 GLN 43 2HG GLN 43 8.352 -6.399 -3.942
329 HG3 GLN 43 1HG GLN 43 8.260 -8.134 -4.239
330 HE21 GLN 43 1HE2 GLN 43 6.601 -5.328 -3.156
331 HE22 GLN 43 2HE2 GLN 43 5.045 -6.053 -2.948
332 H SER 44 H SER 44 9.288 -4.243 -2.788
333 HA SER 44 HA SER 44 10.650 -4.558 -5.326
334 HB2 SER 44 2HB SER 44 9.178 -2.149 -4.228
335 HB3 SER 44 1HB SER 44 9.631 -2.433 -5.909
336 HG SER 44 HG SER 44 7.407 -2.946 -5.389
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -12.861 -1.852 -6.494
2 H2 GLY 1 2HT GLY 1 -13.884 -3.117 -6.029
3 H3 GLY 1 3HT GLY 1 -12.329 -3.456 -6.615
4 HA2 GLY 1 1HA GLY 1 -12.404 -3.704 -4.219
5 HA3 GLY 1 2HA GLY 1 -11.335 -2.393 -4.699
6 H SER 2 H SER 2 -12.392 -2.566 -2.134
7 HA SER 2 HA SER 2 -14.257 -0.287 -2.130
8 HB2 SER 2 2HB SER 2 -14.201 -2.584 -0.151
9 HB3 SER 2 1HB SER 2 -15.295 -1.200 -0.103
10 HG SER 2 HG SER 2 -15.467 -3.496 -1.550
11 H ALA 3 H ALA 3 -12.243 0.928 -2.100
12 HA ALA 3 HA ALA 3 -10.537 2.076 -1.140
13 HB1 ALA 3 1HB ALA 3 -12.225 1.736 1.332
14 HB2 ALA 3 2HB ALA 3 -12.400 3.005 0.120
15 HB3 ALA 3 3HB ALA 3 -10.941 2.925 1.108
16 H THR 4 H THR 4 -9.746 -0.417 -1.523
17 HA THR 4 HA THR 4 -8.637 -1.515 0.891
18 HB THR 4 HB THR 4 -7.930 -2.428 -1.862
19 HG1 THR 4 1HG THR 4 -10.129 -3.591 -0.568
20 HG21 THR 4 3HG2 THR 4 -6.783 -3.469 0.061
21 HG22 THR 4 1HG2 THR 4 -7.798 -4.623 -0.805
22 HG23 THR 4 2HG2 THR 4 -8.349 -3.939 0.723
23 H PHE 5 H PHE 5 -7.845 0.609 -1.396
24 HA PHE 5 HA PHE 5 -5.005 0.816 -0.691
25 HB2 PHE 5 2HB PHE 5 -6.368 1.277 -3.235
26 HB3 PHE 5 1HB PHE 5 -4.625 1.153 -3.051
27 HD1 PHE 5 1HD PHE 5 -4.430 -1.017 -1.368
28 HD2 PHE 5 2HD PHE 5 -7.038 -0.575 -4.632
29 HE1 PHE 5 1HE PHE 5 -4.586 -3.312 -1.506
30 HE2 PHE 5 2HE PHE 5 -7.213 -3.058 -4.759
31 HZ PHE 5 HZ PHE 5 -5.931 -4.399 -3.060
32 HA PRO 6 HA PRO 6 -7.683 4.843 -0.686
33 HB2 PRO 6 2HB PRO 6 -7.974 5.229 1.934
34 HB3 PRO 6 1HB PRO 6 -8.994 4.147 1.005
35 HG2 PRO 6 2HG PRO 6 -6.685 3.476 2.649
36 HG3 PRO 6 1HG PRO 6 -8.290 2.755 2.589
37 HD2 PRO 6 2HD PRO 6 -6.221 1.681 1.255
38 HD3 PRO 6 1HD PRO 6 -7.849 1.595 0.623
39 H GLU 7 H GLU 7 -7.215 6.970 0.243
40 HA GLU 7 HA GLU 7 -4.624 7.750 -0.285
41 HB2 GLU 7 2HB GLU 7 -6.445 9.312 1.519
42 HB3 GLU 7 1HB GLU 7 -5.265 9.918 0.382
43 HG2 GLU 7 2HG GLU 7 -7.260 10.362 -0.662
44 HG3 GLU 7 1HG GLU 7 -6.766 8.839 -1.389
45 H GLN 8 H GLN 8 -6.149 7.088 2.849
46 HA GLN 8 HA GLN 8 -4.217 7.820 4.621
47 HB2 GLN 8 2HB GLN 8 -6.231 6.814 5.404
48 HB3 GLN 8 1HB GLN 8 -5.900 5.320 4.543
49 HG2 GLN 8 2HG GLN 8 -3.935 4.978 5.992
50 HG3 GLN 8 1HG GLN 8 -4.422 6.392 6.898
51 HE21 GLN 8 1HE2 GLN 8 -7.305 5.719 6.623
52 HE22 GLN 8 2HE2 GLN 8 -7.565 4.400 7.709
53 H THR 9 H THR 9 -4.332 4.573 3.237
54 HA THR 9 HA THR 9 -1.783 3.840 3.984
55 HB THR 9 HB THR 9 -2.191 1.904 2.511
56 HG1 THR 9 1HG THR 9 -3.575 3.132 1.017
57 HG21 THR 9 3HG2 THR 9 -4.057 0.991 3.810
58 HG22 THR 9 1HG2 THR 9 -4.450 2.620 4.360
59 HG23 THR 9 2HG2 THR 9 -2.927 1.871 4.838
60 H ILE 10 H ILE 10 -3.153 5.123 1.132
61 HA ILE 10 HA ILE 10 -1.171 4.926 -0.732
62 HB ILE 10 HB ILE 10 -3.183 7.075 -0.144
63 HG12 ILE 10 2HG1 ILE 10 -3.896 4.974 -1.240
64 HG13 ILE 10 1HG1 ILE 10 -4.178 6.399 -2.233
65 HG21 ILE 10 1HG2 ILE 10 -1.257 8.268 -0.965
66 HG22 ILE 10 2HG2 ILE 10 -2.541 8.261 -2.172
67 HG23 ILE 10 3HG2 ILE 10 -1.155 7.187 -2.353
68 HD11 ILE 10 3HD1 ILE 10 -3.325 4.558 -3.546
69 HD12 ILE 10 1HD1 ILE 10 -1.903 4.471 -2.507
70 HD13 ILE 10 2HD1 ILE 10 -2.173 5.895 -3.515
71 H LYS 11 H LYS 11 -1.677 7.526 1.586
72 HA LYS 11 HA LYS 11 0.715 8.751 0.794
73 HB2 LYS 11 2HB LYS 11 -0.981 9.225 3.223
74 HB3 LYS 11 1HB LYS 11 0.303 10.292 2.680
75 HG2 LYS 11 2HG LYS 11 -0.893 10.876 0.727
76 HG3 LYS 11 1HG LYS 11 -2.084 9.589 0.998
77 HD2 LYS 11 2HD LYS 11 -2.962 10.712 2.906
78 HD3 LYS 11 1HD LYS 11 -1.621 11.858 2.937
79 HE2 LYS 11 2HE LYS 11 -2.394 12.785 0.797
80 HE3 LYS 11 1HE LYS 11 -3.753 11.660 0.813
81 HZ1 LYS 11 3HZ LYS 11 -4.661 12.700 2.703
82 HZ2 LYS 11 1HZ LYS 11 -4.224 13.964 1.658
83 HZ3 LYS 11 2HZ LYS 11 -3.250 13.599 2.999
84 H GLN 12 H GLN 12 -0.034 6.495 3.362
85 HA GLN 12 HA GLN 12 2.302 6.839 4.794
86 HB2 GLN 12 2HB GLN 12 0.175 4.803 4.391
87 HB3 GLN 12 1HB GLN 12 1.606 4.356 5.260
88 HG2 GLN 12 2HG GLN 12 1.284 6.142 6.822
89 HG3 GLN 12 1HG GLN 12 -0.119 6.623 5.910
90 HE21 GLN 12 1HE2 GLN 12 -1.992 5.468 6.033
91 HE22 GLN 12 2HE2 GLN 12 -2.269 4.286 7.261
92 H LEU 13 H LEU 13 1.559 4.950 1.949
93 HA LEU 13 HA LEU 13 4.060 3.554 2.115
94 HB2 LEU 13 2HB LEU 13 1.840 3.379 0.113
95 HB3 LEU 13 1HB LEU 13 3.203 2.300 0.247
96 HG LEU 13 HG LEU 13 1.074 2.713 2.279
97 HD11 LEU 13 1HD1 LEU 13 0.323 1.412 0.389
98 HD12 LEU 13 2HD1 LEU 13 0.512 0.367 1.798
99 HD13 LEU 13 3HD1 LEU 13 1.733 0.362 0.523
100 HD21 LEU 13 3HD2 LEU 13 2.137 0.911 3.541
101 HD22 LEU 13 1HD2 LEU 13 3.199 2.308 3.369
102 HD23 LEU 13 2HD2 LEU 13 3.453 0.877 2.369
103 H MET 14 H MET 14 2.303 5.755 -0.098
104 HA MET 14 HA MET 14 4.426 6.199 -1.839
105 HB2 MET 14 2HB MET 14 2.050 7.740 -0.898
106 HB3 MET 14 1HB MET 14 3.162 8.391 -2.098
107 HG2 MET 14 2HG MET 14 1.239 7.375 -3.072
108 HG3 MET 14 1HG MET 14 2.688 6.565 -3.556
109 HE1 MET 14 3HE MET 14 3.381 4.358 -1.738
110 HE2 MET 14 1HE MET 14 2.945 3.968 -3.401
111 HE3 MET 14 2HE MET 14 2.254 3.042 -2.069
112 H ASP 15 H ASP 15 3.736 7.247 1.351
113 HA ASP 15 HA ASP 15 5.435 9.408 1.734
114 HB2 ASP 15 2HB ASP 15 3.801 8.245 3.365
115 HB3 ASP 15 1HB ASP 15 5.150 7.183 3.724
116 H LEU 16 H LEU 16 6.140 5.859 1.948
117 HA LEU 16 HA LEU 16 8.831 6.315 2.721
118 HB2 LEU 16 2HB LEU 16 7.766 3.889 1.332
119 HB3 LEU 16 1HB LEU 16 9.062 4.000 2.489
120 HG LEU 16 HG LEU 16 6.204 4.516 3.134
121 HD11 LEU 16 1HD1 LEU 16 6.368 2.276 2.507
122 HD12 LEU 16 2HD1 LEU 16 6.271 2.343 4.265
123 HD13 LEU 16 3HD1 LEU 16 7.822 2.043 3.478
124 HD21 LEU 16 3HD2 LEU 16 8.599 4.112 4.915
125 HD22 LEU 16 1HD2 LEU 16 6.937 4.328 5.464
126 HD23 LEU 16 2HD2 LEU 16 7.768 5.643 4.634
127 H GLY 17 H GLY 17 7.324 6.909 -0.180
128 HA2 GLY 17 2HA GLY 17 8.646 8.005 -1.896
129 HA3 GLY 17 1HA GLY 17 9.903 6.808 -1.614
130 H PHE 18 H PHE 18 6.804 5.495 -1.540
131 HA PHE 18 HA PHE 18 7.411 4.034 -3.974
132 HB2 PHE 18 2HB PHE 18 5.412 3.604 -1.776
133 HB3 PHE 18 1HB PHE 18 5.701 2.470 -3.064
134 HD1 PHE 18 2HD PHE 18 8.554 2.375 -3.393
135 HD2 PHE 18 1HD PHE 18 6.175 2.804 0.030
136 HE1 PHE 18 2HE PHE 18 10.375 1.447 -2.001
137 HE2 PHE 18 1HE PHE 18 7.881 1.953 1.389
138 HZ PHE 18 HZ PHE 18 9.996 1.247 0.431
139 HA PRO 19 HA PRO 19 4.141 5.917 -6.318
140 HB2 PRO 19 2HB PRO 19 3.742 4.126 -8.191
141 HB3 PRO 19 1HB PRO 19 5.362 4.804 -8.002
142 HG2 PRO 19 2HG PRO 19 4.307 2.266 -6.846
143 HG3 PRO 19 1HG PRO 19 5.691 2.531 -7.906
144 HD2 PRO 19 2HD PRO 19 6.005 2.438 -5.230
145 HD3 PRO 19 1HD PRO 19 6.966 3.541 -6.237
146 H ARG 20 H ARG 20 1.964 5.494 -7.066
147 HA ARG 20 HA ARG 20 0.256 4.750 -4.968
148 HB2 ARG 20 2HB ARG 20 -0.521 6.303 -6.572
149 HB3 ARG 20 1HB ARG 20 -0.110 5.263 -7.910
150 HG2 ARG 20 2HG ARG 20 -1.891 3.749 -7.310
151 HG3 ARG 20 1HG ARG 20 -2.312 4.788 -5.956
152 HD2 ARG 20 2HD ARG 20 -2.829 6.604 -7.466
153 HD3 ARG 20 1HD ARG 20 -2.310 5.637 -8.840
154 HE ARG 20 HE ARG 20 -4.550 4.691 -7.194
155 HH11 ARG 20 1HH1 ARG 20 -3.355 6.000 -10.216
156 HH12 ARG 20 2HH1 ARG 20 -4.785 5.590 -11.112
157 HH21 ARG 20 1HH2 ARG 20 -6.450 4.174 -8.362
158 HH22 ARG 20 2HH2 ARG 20 -6.556 4.565 -10.053
159 H ASP 21 H ASP 21 1.214 3.123 -7.904
160 HA ASP 21 HA ASP 21 -0.449 0.885 -7.738
161 HB2 ASP 21 2HB ASP 21 2.284 1.229 -8.964
162 HB3 ASP 21 1HB ASP 21 1.362 -0.266 -9.105
163 H ALA 22 H ALA 22 2.388 1.681 -5.914
164 HA ALA 22 HA ALA 22 2.953 -0.982 -5.039
165 HB1 ALA 22 1HB ALA 22 4.687 0.740 -5.034
166 HB2 ALA 22 2HB ALA 22 4.454 0.051 -3.427
167 HB3 ALA 22 3HB ALA 22 3.791 1.641 -3.810
168 H VAL 23 H VAL 23 0.897 1.662 -3.874
169 HA VAL 23 HA VAL 23 0.255 0.536 -1.372
170 HB VAL 23 HB VAL 23 -0.434 2.852 -2.611
171 HG11 VAL 23 1HG1 VAL 23 -2.883 2.890 -2.794
172 HG12 VAL 23 2HG1 VAL 23 -2.872 1.131 -2.619
173 HG13 VAL 23 3HG1 VAL 23 -2.090 1.881 -4.010
174 HG21 VAL 23 3HG2 VAL 23 -0.410 2.695 -0.276
175 HG22 VAL 23 1HG2 VAL 23 -1.701 1.484 -0.278
176 HG23 VAL 23 2HG2 VAL 23 -2.062 3.149 -0.724
177 H VAL 24 H VAL 24 -1.130 0.313 -4.523
178 HA VAL 24 HA VAL 24 -3.227 -1.377 -3.784
179 HB VAL 24 HB VAL 24 -1.914 -0.797 -6.418
180 HG11 VAL 24 1HG1 VAL 24 -3.862 -1.968 -7.464
181 HG12 VAL 24 2HG1 VAL 24 -4.315 -2.562 -5.862
182 HG13 VAL 24 3HG1 VAL 24 -2.786 -3.058 -6.589
183 HG21 VAL 24 3HG2 VAL 24 -4.545 -0.041 -5.153
184 HG22 VAL 24 1HG2 VAL 24 -4.096 0.337 -6.820
185 HG23 VAL 24 2HG2 VAL 24 -3.169 1.014 -5.481
186 H LYS 25 H LYS 25 -0.032 -2.187 -5.103
187 HA LYS 25 HA LYS 25 -0.517 -4.922 -5.408
188 HB2 LYS 25 2HB LYS 25 2.045 -3.472 -4.712
189 HB3 LYS 25 1HB LYS 25 1.961 -5.164 -5.180
190 HG2 LYS 25 2HG LYS 25 1.222 -4.605 -7.367
191 HG3 LYS 25 1HG LYS 25 1.001 -2.910 -6.920
192 HD2 LYS 25 2HD LYS 25 3.416 -2.726 -6.506
193 HD3 LYS 25 1HD LYS 25 3.620 -4.406 -7.006
194 HE2 LYS 25 2HE LYS 25 2.728 -3.836 -9.223
195 HE3 LYS 25 1HE LYS 25 2.582 -2.153 -8.718
196 HZ1 LYS 25 3HZ LYS 25 5.130 -3.676 -8.807
197 HZ2 LYS 25 1HZ LYS 25 4.957 -2.025 -8.452
198 HZ3 LYS 25 2HZ LYS 25 4.607 -2.600 -10.010
199 H ALA 26 H ALA 26 0.428 -2.988 -2.609
200 HA ALA 26 HA ALA 26 1.276 -5.365 -1.178
201 HB1 ALA 26 1HB ALA 26 1.907 -3.760 0.575
202 HB2 ALA 26 2HB ALA 26 1.184 -2.460 -0.378
203 HB3 ALA 26 3HB ALA 26 2.589 -3.330 -0.994
204 H LEU 27 H LEU 27 -1.319 -3.041 -1.217
205 HA LEU 27 HA LEU 27 -2.438 -4.001 1.218
206 HB2 LEU 27 2HB LEU 27 -3.418 -2.137 -0.915
207 HB3 LEU 27 1HB LEU 27 -4.331 -2.482 0.533
208 HG LEU 27 HG LEU 27 -2.834 -0.326 0.288
209 HD11 LEU 27 1HD1 LEU 27 -2.815 -2.004 2.760
210 HD12 LEU 27 2HD1 LEU 27 -4.135 -0.951 2.253
211 HD13 LEU 27 3HD1 LEU 27 -2.571 -0.260 2.688
212 HD21 LEU 27 3HD2 LEU 27 -0.671 -0.547 1.189
213 HD22 LEU 27 1HD2 LEU 27 -0.862 -1.554 -0.250
214 HD23 LEU 27 2HD2 LEU 27 -0.903 -2.293 1.351
215 H LYS 28 H LYS 28 -2.938 -4.562 -2.244
216 HA LYS 28 HA LYS 28 -5.018 -6.347 -2.117
217 HB2 LYS 28 2HB LYS 28 -2.580 -6.339 -3.834
218 HB3 LYS 28 1HB LYS 28 -3.723 -7.632 -3.980
219 HG2 LYS 28 2HG LYS 28 -4.318 -4.708 -4.382
220 HG3 LYS 28 1HG LYS 28 -4.016 -5.888 -5.676
221 HD2 LYS 28 2HD LYS 28 -5.981 -6.476 -3.602
222 HD3 LYS 28 1HD LYS 28 -6.457 -5.345 -4.865
223 HE2 LYS 28 2HE LYS 28 -5.971 -7.042 -6.549
224 HE3 LYS 28 1HE LYS 28 -5.428 -8.155 -5.294
225 HZ1 LYS 28 3HZ LYS 28 -7.625 -8.245 -4.395
226 HZ2 LYS 28 1HZ LYS 28 -7.727 -8.568 -6.056
227 HZ3 LYS 28 2HZ LYS 28 -8.178 -7.047 -5.458
228 H GLN 29 H GLN 29 -1.562 -6.973 -1.391
229 HA GLN 29 HA GLN 29 -1.762 -9.680 -0.734
230 HB2 GLN 29 2HB GLN 29 -0.042 -7.407 0.025
231 HB3 GLN 29 1HB GLN 29 -0.016 -8.771 1.095
232 HG2 GLN 29 2HG GLN 29 1.772 -9.060 -0.310
233 HG3 GLN 29 1HG GLN 29 0.529 -10.133 -0.949
234 HE21 GLN 29 1HE2 GLN 29 2.157 -7.086 -1.339
235 HE22 GLN 29 2HE2 GLN 29 1.852 -6.920 -3.039
236 H THR 30 H THR 30 -2.213 -6.796 1.208
237 HA THR 30 HA THR 30 -2.621 -8.368 3.612
238 HB THR 30 HB THR 30 -2.243 -6.178 4.690
239 HG1 THR 30 1HG THR 30 -1.398 -5.058 2.286
240 HG21 THR 30 3HG2 THR 30 -0.347 -7.649 4.252
241 HG22 THR 30 1HG2 THR 30 0.127 -5.961 4.034
242 HG23 THR 30 2HG2 THR 30 -0.195 -6.980 2.626
243 H ASN 31 H ASN 31 -4.613 -7.436 1.358
244 HA ASN 31 HA ASN 31 -6.669 -6.564 1.086
245 HB2 ASN 31 2HB ASN 31 -6.928 -7.841 3.808
246 HB3 ASN 31 1HB ASN 31 -8.300 -7.112 2.979
247 HD21 ASN 31 1HD2 ASN 31 -6.021 -9.733 3.004
248 HD22 ASN 31 2HD2 ASN 31 -6.829 -10.705 1.822
249 H GLY 32 H GLY 32 -4.970 -4.575 1.577
250 HA2 GLY 32 2HA GLY 32 -5.255 -2.352 1.825
251 HA3 GLY 32 1HA GLY 32 -6.858 -2.659 2.451
252 H ASN 33 H ASN 33 -3.980 -3.952 4.241
253 HA ASN 33 HA ASN 33 -4.383 -1.682 6.015
254 HB2 ASN 33 2HB ASN 33 -4.134 -2.978 7.858
255 HB3 ASN 33 1HB ASN 33 -4.904 -4.092 6.759
256 HD21 ASN 33 1HD2 ASN 33 -2.547 -4.605 5.258
257 HD22 ASN 33 2HD2 ASN 33 -1.567 -5.638 6.241
258 H ALA 34 H ALA 34 -2.594 -0.597 6.937
259 HA ALA 34 HA ALA 34 -0.782 -0.222 4.771
260 HB1 ALA 34 1HB ALA 34 -0.225 1.871 5.773
261 HB2 ALA 34 2HB ALA 34 -0.958 1.375 7.299
262 HB3 ALA 34 3HB ALA 34 -1.968 1.625 5.875
263 H GLU 35 H GLU 35 -0.201 -1.293 8.108
264 HA GLU 35 HA GLU 35 2.479 -0.830 8.057
265 HB2 GLU 35 2HB GLU 35 0.665 -1.656 9.831
266 HB3 GLU 35 1HB GLU 35 1.562 -3.122 9.569
267 HG2 GLU 35 2HG GLU 35 3.114 -0.737 10.003
268 HG3 GLU 35 1HG GLU 35 2.128 -1.223 11.350
269 H PHE 36 H PHE 36 0.636 -3.553 7.587
270 HA PHE 36 HA PHE 36 2.630 -5.368 6.803
271 HB2 PHE 36 2HB PHE 36 -0.337 -5.195 6.680
272 HB3 PHE 36 1HB PHE 36 0.446 -6.466 5.763
273 HD1 PHE 36 1HD PHE 36 0.796 -4.854 9.060
274 HD2 PHE 36 2HD PHE 36 0.582 -8.516 6.923
275 HE1 PHE 36 1HE PHE 36 1.039 -6.022 11.103
276 HE2 PHE 36 2HE PHE 36 0.821 -9.753 9.047
277 HZ PHE 36 HZ PHE 36 1.052 -8.502 11.165
278 H ALA 37 H ALA 37 0.985 -2.842 5.216
279 HA ALA 37 HA ALA 37 1.206 -3.720 2.543
280 HB1 ALA 37 1HB ALA 37 0.774 -1.377 2.027
281 HB2 ALA 37 2HB ALA 37 1.067 -0.956 3.714
282 HB3 ALA 37 3HB ALA 37 -0.311 -1.970 3.284
283 H ALA 38 H ALA 38 3.108 -1.444 4.420
284 HA ALA 38 HA ALA 38 4.985 -0.820 2.489
285 HB1 ALA 38 1HB ALA 38 5.309 -0.873 5.482
286 HB2 ALA 38 2HB ALA 38 4.714 0.481 4.521
287 HB3 ALA 38 3HB ALA 38 6.383 -0.059 4.346
288 H SER 39 H SER 39 4.865 -3.391 4.882
289 HA SER 39 HA SER 39 7.572 -4.181 4.550
290 HB2 SER 39 2HB SER 39 5.223 -5.681 5.738
291 HB3 SER 39 1HB SER 39 6.928 -6.074 5.969
292 HG SER 39 HG SER 39 7.057 -4.583 7.444
293 H LEU 40 H LEU 40 4.522 -4.805 3.043
294 HA LEU 40 HA LEU 40 5.451 -7.156 1.673
295 HB2 LEU 40 2HB LEU 40 2.990 -6.050 2.321
296 HB3 LEU 40 1HB LEU 40 3.145 -5.757 0.624
297 HG LEU 40 HG LEU 40 2.042 -7.809 0.701
298 HD11 LEU 40 1HD1 LEU 40 4.973 -8.483 0.527
299 HD12 LEU 40 2HD1 LEU 40 3.940 -7.949 -0.801
300 HD13 LEU 40 3HD1 LEU 40 3.652 -9.510 -0.030
301 HD21 LEU 40 3HD2 LEU 40 2.282 -8.139 3.114
302 HD22 LEU 40 1HD2 LEU 40 3.946 -8.670 2.874
303 HD23 LEU 40 2HD2 LEU 40 2.614 -9.622 2.218
304 H LEU 41 H LEU 41 4.789 -3.710 0.976
305 HA LEU 41 HA LEU 41 5.237 -4.112 -1.790
306 HB2 LEU 41 2HB LEU 41 4.890 -1.827 -2.060
307 HB3 LEU 41 1HB LEU 41 3.808 -2.380 -0.798
308 HG LEU 41 HG LEU 41 5.456 -1.466 0.854
309 HD11 LEU 41 1HD1 LEU 41 7.013 0.180 0.063
310 HD12 LEU 41 2HD1 LEU 41 6.559 -0.191 -1.603
311 HD13 LEU 41 3HD1 LEU 41 7.343 -1.418 -0.606
312 HD21 LEU 41 3HD2 LEU 41 4.666 0.825 0.534
313 HD22 LEU 41 1HD2 LEU 41 3.388 -0.374 0.328
314 HD23 LEU 41 2HD2 LEU 41 4.122 0.385 -1.086
315 H PHE 42 H PHE 42 7.164 -3.496 0.927
316 HA PHE 42 HA PHE 42 9.444 -2.366 -0.056
317 HB2 PHE 42 2HB PHE 42 8.662 -3.793 2.296
318 HB3 PHE 42 1HB PHE 42 10.304 -4.231 1.832
319 HD1 PHE 42 1HD PHE 42 8.024 -1.540 2.321
320 HD2 PHE 42 2HD PHE 42 12.080 -2.694 2.292
321 HE1 PHE 42 1HE PHE 42 8.636 0.649 3.131
322 HE2 PHE 42 2HE PHE 42 12.740 -0.475 3.156
323 HZ PHE 42 HZ PHE 42 10.998 1.225 3.587
324 H GLN 43 H GLN 43 8.100 -5.473 -0.730
325 HA GLN 43 HA GLN 43 10.372 -7.043 -1.191
326 HB2 GLN 43 2HB GLN 43 8.975 -8.571 -2.182
327 HB3 GLN 43 1HB GLN 43 7.780 -7.593 -1.345
328 HG2 GLN 43 2HG GLN 43 8.205 -6.420 -3.884
329 HG3 GLN 43 1HG GLN 43 8.018 -8.156 -4.126
330 HE21 GLN 43 1HE2 GLN 43 6.509 -5.227 -3.096
331 HE22 GLN 43 2HE2 GLN 43 4.901 -5.843 -2.990
332 H SER 44 H SER 44 9.164 -4.401 -2.915
333 HA SER 44 HA SER 44 11.024 -4.912 -5.142
334 HB2 SER 44 2HB SER 44 8.608 -5.020 -5.805
335 HB3 SER 44 1HB SER 44 8.428 -3.348 -5.276
336 HG SER 44 HG SER 44 9.702 -2.669 -6.919
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -17.633 -2.712 1.516
2 H2 GLY 1 2HT GLY 1 -18.057 -1.147 2.010
3 H3 GLY 1 3HT GLY 1 -18.358 -2.470 3.029
4 HA2 GLY 1 1HA GLY 1 -16.459 -1.344 3.869
5 HA3 GLY 1 2HA GLY 1 -15.944 -2.874 3.169
6 H SER 2 H SER 2 -14.699 -2.897 1.323
7 HA SER 2 HA SER 2 -13.162 -2.164 -0.162
8 HB2 SER 2 2HB SER 2 -14.942 0.285 -0.241
9 HB3 SER 2 1HB SER 2 -13.652 -0.068 -1.395
10 HG SER 2 HG SER 2 -16.089 -0.806 -1.643
11 H ALA 3 H ALA 3 -12.370 0.687 -0.506
12 HA ALA 3 HA ALA 3 -10.696 2.040 0.213
13 HB1 ALA 3 1HB ALA 3 -11.746 1.359 2.962
14 HB2 ALA 3 2HB ALA 3 -12.289 2.694 1.945
15 HB3 ALA 3 3HB ALA 3 -10.642 2.679 2.579
16 H THR 4 H THR 4 -9.789 -0.229 -0.604
17 HA THR 4 HA THR 4 -8.182 -1.552 1.382
18 HB THR 4 HB THR 4 -7.885 -2.208 -1.473
19 HG1 THR 4 1HG THR 4 -10.196 -3.141 -0.130
20 HG21 THR 4 3HG2 THR 4 -8.343 -3.885 0.996
21 HG22 THR 4 1HG2 THR 4 -6.789 -3.574 0.221
22 HG23 THR 4 2HG2 THR 4 -8.024 -4.510 -0.623
23 H PHE 5 H PHE 5 -7.937 0.645 -1.015
24 HA PHE 5 HA PHE 5 -5.028 0.992 -0.816
25 HB2 PHE 5 2HB PHE 5 -6.798 1.310 -3.115
26 HB3 PHE 5 1HB PHE 5 -5.044 1.215 -3.202
27 HD1 PHE 5 1HD PHE 5 -4.566 -0.959 -1.511
28 HD2 PHE 5 2HD PHE 5 -7.624 -0.552 -4.372
29 HE1 PHE 5 1HE PHE 5 -4.725 -3.242 -1.616
30 HE2 PHE 5 2HE PHE 5 -7.802 -3.032 -4.463
31 HZ PHE 5 HZ PHE 5 -6.292 -4.358 -2.969
32 HA PRO 6 HA PRO 6 -7.742 5.011 -0.798
33 HB2 PRO 6 2HB PRO 6 -7.994 5.533 1.793
34 HB3 PRO 6 1HB PRO 6 -9.036 4.401 0.954
35 HG2 PRO 6 2HG PRO 6 -6.690 3.824 2.583
36 HG3 PRO 6 1HG PRO 6 -8.299 3.111 2.605
37 HD2 PRO 6 2HD PRO 6 -6.263 1.951 1.286
38 HD3 PRO 6 1HD PRO 6 -7.908 1.822 0.710
39 H GLU 7 H GLU 7 -7.176 7.152 -0.125
40 HA GLU 7 HA GLU 7 -4.585 7.886 -0.594
41 HB2 GLU 7 2HB GLU 7 -6.633 9.386 1.051
42 HB3 GLU 7 1HB GLU 7 -5.247 10.083 0.230
43 HG2 GLU 7 2HG GLU 7 -6.156 9.710 -1.890
44 HG3 GLU 7 1HG GLU 7 -7.351 8.575 -1.267
45 H GLN 8 H GLN 8 -6.121 7.195 2.488
46 HA GLN 8 HA GLN 8 -4.288 7.868 4.382
47 HB2 GLN 8 2HB GLN 8 -6.415 6.179 4.170
48 HB3 GLN 8 1HB GLN 8 -5.123 5.073 4.540
49 HG2 GLN 8 2HG GLN 8 -4.533 6.464 6.474
50 HG3 GLN 8 1HG GLN 8 -5.965 7.439 6.182
51 HE21 GLN 8 1HE2 GLN 8 -7.570 5.123 5.363
52 HE22 GLN 8 2HE2 GLN 8 -7.932 4.266 6.828
53 H THR 9 H THR 9 -4.330 4.704 2.854
54 HA THR 9 HA THR 9 -1.787 3.999 3.721
55 HB THR 9 HB THR 9 -2.172 1.997 2.340
56 HG1 THR 9 1HG THR 9 -4.050 1.801 1.180
57 HG21 THR 9 3HG2 THR 9 -2.978 2.059 4.646
58 HG22 THR 9 1HG2 THR 9 -4.062 1.122 3.618
59 HG23 THR 9 2HG2 THR 9 -4.495 2.766 4.086
60 H ILE 10 H ILE 10 -3.211 5.296 0.970
61 HA ILE 10 HA ILE 10 -1.299 4.921 -1.014
62 HB ILE 10 HB ILE 10 -3.269 7.125 -0.482
63 HG12 ILE 10 2HG1 ILE 10 -4.096 5.013 -1.410
64 HG13 ILE 10 1HG1 ILE 10 -4.304 6.342 -2.543
65 HG21 ILE 10 1HG2 ILE 10 -1.353 8.227 -1.446
66 HG22 ILE 10 2HG2 ILE 10 -2.687 8.176 -2.595
67 HG23 ILE 10 3HG2 ILE 10 -1.329 7.067 -2.773
68 HD11 ILE 10 3HD1 ILE 10 -2.314 5.607 -3.746
69 HD12 ILE 10 1HD1 ILE 10 -3.552 4.350 -3.673
70 HD13 ILE 10 2HD1 ILE 10 -2.144 4.266 -2.610
71 H LYS 11 H LYS 11 -1.744 7.663 1.116
72 HA LYS 11 HA LYS 11 0.728 8.786 0.400
73 HB2 LYS 11 2HB LYS 11 -1.102 9.435 2.681
74 HB3 LYS 11 1HB LYS 11 0.247 10.433 2.155
75 HG2 LYS 11 2HG LYS 11 -0.796 10.780 0.013
76 HG3 LYS 11 1HG LYS 11 -2.112 9.679 0.446
77 HD2 LYS 11 2HD LYS 11 -2.969 11.862 0.768
78 HD3 LYS 11 1HD LYS 11 -2.581 11.270 2.383
79 HE2 LYS 11 2HE LYS 11 -0.747 13.016 0.747
80 HE3 LYS 11 1HE LYS 11 -1.900 13.641 1.922
81 HZ1 LYS 11 3HZ LYS 11 -0.746 12.306 3.633
82 HZ2 LYS 11 1HZ LYS 11 0.253 13.477 2.924
83 HZ3 LYS 11 2HZ LYS 11 0.410 11.853 2.479
84 H GLN 12 H GLN 12 -0.225 6.548 2.915
85 HA GLN 12 HA GLN 12 2.003 7.012 4.530
86 HB2 GLN 12 2HB GLN 12 -0.103 4.963 4.196
87 HB3 GLN 12 1HB GLN 12 1.300 4.549 5.117
88 HG2 GLN 12 2HG GLN 12 -0.686 6.703 5.652
89 HG3 GLN 12 1HG GLN 12 -0.303 5.306 6.653
90 HE21 GLN 12 1HE2 GLN 12 0.642 8.484 5.687
91 HE22 GLN 12 2HE2 GLN 12 1.864 8.724 6.886
92 H LEU 13 H LEU 13 1.444 5.073 1.678
93 HA LEU 13 HA LEU 13 3.940 3.669 2.060
94 HB2 LEU 13 2HB LEU 13 1.868 3.339 -0.071
95 HB3 LEU 13 1HB LEU 13 3.251 2.306 0.211
96 HG LEU 13 HG LEU 13 0.917 2.734 1.991
97 HD11 LEU 13 1HD1 LEU 13 0.618 0.311 1.732
98 HD12 LEU 13 2HD1 LEU 13 2.000 0.274 0.635
99 HD13 LEU 13 3HD1 LEU 13 0.539 1.158 0.186
100 HD21 LEU 13 3HD2 LEU 13 2.872 2.666 3.385
101 HD22 LEU 13 1HD2 LEU 13 3.434 1.202 2.573
102 HD23 LEU 13 2HD2 LEU 13 1.968 1.161 3.556
103 H MET 14 H MET 14 2.326 5.859 -0.222
104 HA MET 14 HA MET 14 4.540 6.402 -1.800
105 HB2 MET 14 2HB MET 14 2.269 8.101 -0.803
106 HB3 MET 14 1HB MET 14 3.429 8.623 -2.013
107 HG2 MET 14 2HG MET 14 1.112 6.997 -2.322
108 HG3 MET 14 1HG MET 14 2.145 7.747 -3.480
109 HE1 MET 14 3HE MET 14 0.589 4.717 -2.654
110 HE2 MET 14 1HE MET 14 1.701 4.549 -1.299
111 HE3 MET 14 2HE MET 14 1.787 3.418 -2.652
112 H ASP 15 H ASP 15 3.701 7.305 1.400
113 HA ASP 15 HA ASP 15 5.634 9.233 1.987
114 HB2 ASP 15 2HB ASP 15 3.841 8.705 3.526
115 HB3 ASP 15 1HB ASP 15 4.459 7.073 3.747
116 H LEU 16 H LEU 16 5.905 5.595 2.126
117 HA LEU 16 HA LEU 16 8.572 5.475 2.770
118 HB2 LEU 16 2HB LEU 16 6.662 3.922 1.152
119 HB3 LEU 16 1HB LEU 16 8.318 3.472 1.194
120 HG LEU 16 HG LEU 16 7.413 2.195 2.768
121 HD11 LEU 16 1HD1 LEU 16 8.175 2.990 4.948
122 HD12 LEU 16 2HD1 LEU 16 8.319 4.612 4.266
123 HD13 LEU 16 3HD1 LEU 16 9.349 3.308 3.672
124 HD21 LEU 16 3HD2 LEU 16 5.241 3.160 2.731
125 HD22 LEU 16 1HD2 LEU 16 5.812 4.493 3.727
126 HD23 LEU 16 2HD2 LEU 16 5.763 2.857 4.388
127 H GLY 17 H GLY 17 6.971 6.294 -0.217
128 HA2 GLY 17 2HA GLY 17 8.167 7.840 -1.710
129 HA3 GLY 17 1HA GLY 17 9.589 6.834 -1.468
130 H PHE 18 H PHE 18 6.578 5.192 -1.747
131 HA PHE 18 HA PHE 18 7.561 3.953 -4.171
132 HB2 PHE 18 2HB PHE 18 5.391 3.345 -2.198
133 HB3 PHE 18 1HB PHE 18 5.718 2.321 -3.572
134 HD1 PHE 18 2HD PHE 18 8.656 2.468 -3.747
135 HD2 PHE 18 1HD PHE 18 6.014 2.188 -0.525
136 HE1 PHE 18 2HE PHE 18 10.433 1.443 -2.371
137 HE2 PHE 18 1HE PHE 18 7.674 1.218 0.827
138 HZ PHE 18 HZ PHE 18 9.892 0.839 -0.044
139 HA PRO 19 HA PRO 19 4.186 5.517 -6.728
140 HB2 PRO 19 2HB PRO 19 3.560 3.493 -8.280
141 HB3 PRO 19 1HB PRO 19 5.207 4.125 -8.321
142 HG2 PRO 19 2HG PRO 19 4.183 1.804 -6.755
143 HG3 PRO 19 1HG PRO 19 5.497 1.890 -7.928
144 HD2 PRO 19 2HD PRO 19 5.981 2.136 -5.281
145 HD3 PRO 19 1HD PRO 19 6.909 3.049 -6.491
146 H ARG 20 H ARG 20 2.008 5.215 -7.214
147 HA ARG 20 HA ARG 20 0.323 4.600 -5.040
148 HB2 ARG 20 2HB ARG 20 -0.334 6.237 -6.648
149 HB3 ARG 20 1HB ARG 20 -0.118 5.127 -7.977
150 HG2 ARG 20 2HG ARG 20 -2.016 3.848 -7.284
151 HG3 ARG 20 1HG ARG 20 -2.221 4.889 -5.881
152 HD2 ARG 20 2HD ARG 20 -2.504 6.814 -7.413
153 HD3 ARG 20 1HD ARG 20 -2.420 5.699 -8.771
154 HE ARG 20 HE ARG 20 -4.454 4.839 -7.040
155 HH11 ARG 20 1HH1 ARG 20 -3.696 7.469 -9.226
156 HH12 ARG 20 2HH1 ARG 20 -5.364 7.822 -9.584
157 HH21 ARG 20 1HH2 ARG 20 -6.655 5.295 -7.526
158 HH22 ARG 20 2HH2 ARG 20 -7.034 6.566 -8.646
159 H ASP 21 H ASP 21 1.156 2.975 -7.983
160 HA ASP 21 HA ASP 21 -0.553 0.764 -7.840
161 HB2 ASP 21 2HB ASP 21 2.226 0.964 -9.022
162 HB3 ASP 21 1HB ASP 21 1.119 -0.379 -9.296
163 H ALA 22 H ALA 22 2.310 1.533 -6.039
164 HA ALA 22 HA ALA 22 2.889 -1.132 -5.181
165 HB1 ALA 22 1HB ALA 22 4.613 0.595 -5.155
166 HB2 ALA 22 2HB ALA 22 4.378 -0.102 -3.553
167 HB3 ALA 22 3HB ALA 22 3.709 1.485 -3.929
168 H VAL 23 H VAL 23 0.851 1.504 -3.956
169 HA VAL 23 HA VAL 23 0.209 0.298 -1.487
170 HB VAL 23 HB VAL 23 -0.512 2.663 -2.722
171 HG11 VAL 23 1HG1 VAL 23 -2.983 2.665 -2.708
172 HG12 VAL 23 2HG1 VAL 23 -2.922 0.904 -2.542
173 HG13 VAL 23 3HG1 VAL 23 -2.253 1.676 -3.983
174 HG21 VAL 23 3HG2 VAL 23 -2.222 2.663 -0.675
175 HG22 VAL 23 1HG2 VAL 23 -0.468 2.885 -0.489
176 HG23 VAL 23 2HG2 VAL 23 -1.204 1.297 -0.224
177 H VAL 24 H VAL 24 -1.151 0.189 -4.653
178 HA VAL 24 HA VAL 24 -3.274 -1.479 -3.951
179 HB VAL 24 HB VAL 24 -2.018 -0.749 -6.562
180 HG11 VAL 24 1HG1 VAL 24 -3.950 -1.899 -7.667
181 HG12 VAL 24 2HG1 VAL 24 -4.344 -2.632 -6.107
182 HG13 VAL 24 3HG1 VAL 24 -2.815 -3.012 -6.899
183 HG21 VAL 24 3HG2 VAL 24 -4.652 -0.174 -5.215
184 HG22 VAL 24 1HG2 VAL 24 -4.253 0.324 -6.862
185 HG23 VAL 24 2HG2 VAL 24 -3.323 0.950 -5.501
186 H LYS 25 H LYS 25 -0.120 -2.365 -5.385
187 HA LYS 25 HA LYS 25 -0.717 -5.093 -5.681
188 HB2 LYS 25 2HB LYS 25 1.903 -3.721 -5.079
189 HB3 LYS 25 1HB LYS 25 1.761 -5.425 -5.482
190 HG2 LYS 25 2HG LYS 25 0.971 -4.908 -7.676
191 HG3 LYS 25 1HG LYS 25 0.861 -3.190 -7.280
192 HD2 LYS 25 2HD LYS 25 3.250 -3.074 -6.977
193 HD3 LYS 25 1HD LYS 25 3.403 -4.809 -7.270
194 HE2 LYS 25 2HE LYS 25 2.495 -4.463 -9.540
195 HE3 LYS 25 1HE LYS 25 2.460 -2.728 -9.239
196 HZ1 LYS 25 3HZ LYS 25 4.428 -3.343 -10.460
197 HZ2 LYS 25 1HZ LYS 25 4.881 -4.449 -9.256
198 HZ3 LYS 25 2HZ LYS 25 4.865 -2.789 -8.916
199 H ALA 26 H ALA 26 0.430 -3.202 -2.945
200 HA ALA 26 HA ALA 26 1.088 -5.610 -1.475
201 HB1 ALA 26 1HB ALA 26 1.882 -4.074 0.257
202 HB2 ALA 26 2HB ALA 26 1.227 -2.711 -0.655
203 HB3 ALA 26 3HB ALA 26 2.553 -3.661 -1.323
204 H LEU 27 H LEU 27 -1.279 -3.011 -1.364
205 HA LEU 27 HA LEU 27 -2.462 -3.954 1.032
206 HB2 LEU 27 2HB LEU 27 -3.323 -2.025 -1.089
207 HB3 LEU 27 1HB LEU 27 -4.307 -2.366 0.311
208 HG LEU 27 HG LEU 27 -2.789 -0.265 0.229
209 HD11 LEU 27 1HD1 LEU 27 -2.474 -0.352 2.624
210 HD12 LEU 27 2HD1 LEU 27 -2.749 -2.094 2.586
211 HD13 LEU 27 3HD1 LEU 27 -4.056 -0.987 2.171
212 HD21 LEU 27 3HD2 LEU 27 -0.845 -2.295 1.145
213 HD22 LEU 27 1HD2 LEU 27 -0.608 -0.545 1.115
214 HD23 LEU 27 2HD2 LEU 27 -0.798 -1.445 -0.396
215 H LYS 28 H LYS 28 -2.935 -4.517 -2.405
216 HA LYS 28 HA LYS 28 -5.257 -6.013 -2.311
217 HB2 LYS 28 2HB LYS 28 -2.948 -5.887 -4.091
218 HB3 LYS 28 1HB LYS 28 -3.768 -7.444 -4.083
219 HG2 LYS 28 2HG LYS 28 -5.799 -6.502 -4.773
220 HG3 LYS 28 1HG LYS 28 -5.250 -4.862 -4.406
221 HD2 LYS 28 2HD LYS 28 -3.623 -4.986 -6.159
222 HD3 LYS 28 1HD LYS 28 -4.098 -6.644 -6.541
223 HE2 LYS 28 2HE LYS 28 -5.820 -4.174 -6.780
224 HE3 LYS 28 1HE LYS 28 -5.133 -5.102 -8.112
225 HZ1 LYS 28 3HZ LYS 28 -6.469 -7.008 -7.400
226 HZ2 LYS 28 1HZ LYS 28 -7.444 -5.674 -7.778
227 HZ3 LYS 28 2HZ LYS 28 -7.154 -6.080 -6.160
228 H GLN 29 H GLN 29 -1.877 -7.180 -1.763
229 HA GLN 29 HA GLN 29 -2.884 -9.816 -1.277
230 HB2 GLN 29 2HB GLN 29 -0.558 -10.309 -0.806
231 HB3 GLN 29 1HB GLN 29 -0.768 -9.458 -2.287
232 HG2 GLN 29 2HG GLN 29 -0.193 -7.376 -0.900
233 HG3 GLN 29 1HG GLN 29 0.493 -8.567 0.198
234 HE21 GLN 29 1HE2 GLN 29 1.766 -6.527 -1.518
235 HE22 GLN 29 2HE2 GLN 29 2.886 -7.389 -2.502
236 H THR 30 H THR 30 -1.973 -7.115 0.687
237 HA THR 30 HA THR 30 -2.192 -8.559 3.172
238 HB THR 30 HB THR 30 -1.927 -6.308 4.174
239 HG1 THR 30 1HG THR 30 -1.368 -5.285 1.628
240 HG21 THR 30 3HG2 THR 30 0.023 -7.707 3.645
241 HG22 THR 30 1HG2 THR 30 0.388 -5.993 3.441
242 HG23 THR 30 2HG2 THR 30 0.074 -7.003 2.026
243 H ASN 31 H ASN 31 -4.368 -7.182 1.062
244 HA ASN 31 HA ASN 31 -6.519 -6.561 1.092
245 HB2 ASN 31 2HB ASN 31 -6.463 -8.083 3.690
246 HB3 ASN 31 1HB ASN 31 -7.918 -7.260 3.142
247 HD21 ASN 31 1HD2 ASN 31 -5.749 -9.902 2.604
248 HD22 ASN 31 2HD2 ASN 31 -6.728 -10.733 1.442
249 H GLY 32 H GLY 32 -4.922 -4.503 1.501
250 HA2 GLY 32 2HA GLY 32 -5.433 -2.331 1.825
251 HA3 GLY 32 1HA GLY 32 -6.873 -2.811 2.706
252 H ASN 33 H ASN 33 -4.329 -4.285 4.400
253 HA ASN 33 HA ASN 33 -4.230 -1.992 6.136
254 HB2 ASN 33 2HB ASN 33 -3.665 -3.374 7.881
255 HB3 ASN 33 1HB ASN 33 -4.774 -4.326 6.944
256 HD21 ASN 33 1HD2 ASN 33 -2.687 -4.961 4.981
257 HD22 ASN 33 2HD2 ASN 33 -1.731 -6.194 5.737
258 H ALA 34 H ALA 34 -2.629 -0.678 6.415
259 HA ALA 34 HA ALA 34 -0.876 -0.504 4.237
260 HB1 ALA 34 1HB ALA 34 -0.868 1.196 6.711
261 HB2 ALA 34 2HB ALA 34 -1.939 1.418 5.326
262 HB3 ALA 34 3HB ALA 34 -0.197 1.612 5.133
263 H GLU 35 H GLU 35 0.013 -0.890 7.695
264 HA GLU 35 HA GLU 35 2.620 -0.525 7.335
265 HB2 GLU 35 2HB GLU 35 0.943 -1.730 9.375
266 HB3 GLU 35 1HB GLU 35 2.660 -1.990 9.485
267 HG2 GLU 35 2HG GLU 35 1.425 0.675 9.180
268 HG3 GLU 35 1HG GLU 35 1.732 -0.072 10.720
269 H PHE 36 H PHE 36 0.837 -3.406 7.275
270 HA PHE 36 HA PHE 36 2.990 -5.185 7.104
271 HB2 PHE 36 2HB PHE 36 0.023 -5.279 6.701
272 HB3 PHE 36 1HB PHE 36 1.015 -6.652 6.324
273 HD1 PHE 36 1HD PHE 36 1.208 -4.194 9.038
274 HD2 PHE 36 2HD PHE 36 0.649 -8.271 7.995
275 HE1 PHE 36 1HE PHE 36 1.213 -4.745 11.338
276 HE2 PHE 36 2HE PHE 36 0.638 -8.866 10.391
277 HZ PHE 36 HZ PHE 36 0.924 -7.093 12.088
278 H ALA 37 H ALA 37 0.933 -3.493 4.848
279 HA ALA 37 HA ALA 37 1.606 -5.034 2.569
280 HB1 ALA 37 1HB ALA 37 0.514 -3.252 1.355
281 HB2 ALA 37 2HB ALA 37 0.538 -2.242 2.800
282 HB3 ALA 37 3HB ALA 37 -0.426 -3.720 2.770
283 H ALA 38 H ALA 38 2.752 -1.974 3.877
284 HA ALA 38 HA ALA 38 4.557 -1.291 1.881
285 HB1 ALA 38 1HB ALA 38 4.819 -0.781 4.837
286 HB2 ALA 38 2HB ALA 38 3.916 0.219 3.700
287 HB3 ALA 38 3HB ALA 38 5.666 0.073 3.550
288 H SER 39 H SER 39 4.870 -3.406 4.665
289 HA SER 39 HA SER 39 7.719 -3.595 4.454
290 HB2 SER 39 2HB SER 39 5.740 -5.253 6.044
291 HB3 SER 39 1HB SER 39 7.490 -5.242 6.271
292 HG SER 39 HG SER 39 5.661 -3.108 6.713
293 H LEU 40 H LEU 40 4.928 -5.094 3.222
294 HA LEU 40 HA LEU 40 6.223 -7.476 2.316
295 HB2 LEU 40 2HB LEU 40 3.772 -6.983 3.058
296 HB3 LEU 40 1HB LEU 40 3.593 -6.429 1.415
297 HG LEU 40 HG LEU 40 4.469 -9.203 2.248
298 HD11 LEU 40 1HD1 LEU 40 1.829 -8.282 1.142
299 HD12 LEU 40 2HD1 LEU 40 2.144 -8.713 2.822
300 HD13 LEU 40 3HD1 LEU 40 2.275 -9.938 1.559
301 HD21 LEU 40 3HD2 LEU 40 5.372 -8.504 0.088
302 HD22 LEU 40 1HD2 LEU 40 3.739 -8.143 -0.474
303 HD23 LEU 40 2HD2 LEU 40 4.188 -9.804 -0.081
304 H LEU 41 H LEU 41 5.074 -4.348 1.005
305 HA LEU 41 HA LEU 41 5.649 -5.085 -1.658
306 HB2 LEU 41 2HB LEU 41 5.062 -2.916 -2.266
307 HB3 LEU 41 1HB LEU 41 4.027 -3.362 -0.925
308 HG LEU 41 HG LEU 41 5.594 -2.053 0.548
309 HD11 LEU 41 1HD1 LEU 41 6.960 -0.396 -0.513
310 HD12 LEU 41 2HD1 LEU 41 6.505 -1.024 -2.101
311 HD13 LEU 41 3HD1 LEU 41 7.435 -2.028 -0.985
312 HD21 LEU 41 3HD2 LEU 41 3.401 -1.284 -0.089
313 HD22 LEU 41 1HD2 LEU 41 4.045 -0.654 -1.605
314 HD23 LEU 41 2HD2 LEU 41 4.542 0.063 -0.071
315 H PHE 42 H PHE 42 7.401 -3.912 0.977
316 HA PHE 42 HA PHE 42 9.674 -2.816 -0.059
317 HB2 PHE 42 2HB PHE 42 8.836 -3.962 2.423
318 HB3 PHE 42 1HB PHE 42 10.520 -4.366 2.100
319 HD1 PHE 42 1HD PHE 42 8.088 -1.761 2.092
320 HD2 PHE 42 2HD PHE 42 12.184 -2.693 2.488
321 HE1 PHE 42 1HE PHE 42 8.540 0.543 2.637
322 HE2 PHE 42 2HE PHE 42 12.680 -0.348 3.082
323 HZ PHE 42 HZ PHE 42 10.837 1.300 3.162
324 H GLN 43 H GLN 43 8.497 -5.988 -0.484
325 HA GLN 43 HA GLN 43 10.801 -7.555 -0.543
326 HB2 GLN 43 2HB GLN 43 9.552 -9.163 -1.689
327 HB3 GLN 43 1HB GLN 43 8.329 -8.243 -0.826
328 HG2 GLN 43 2HG GLN 43 8.556 -6.927 -3.247
329 HG3 GLN 43 1HG GLN 43 8.705 -8.629 -3.676
330 HE21 GLN 43 1HE2 GLN 43 6.642 -6.144 -2.524
331 HE22 GLN 43 2HE2 GLN 43 5.177 -7.055 -2.473
332 H SER 44 H SER 44 9.707 -5.181 -2.714
333 HA SER 44 HA SER 44 11.741 -5.922 -4.704
334 HB2 SER 44 2HB SER 44 9.398 -4.030 -5.009
335 HB3 SER 44 1HB SER 44 10.493 -4.549 -6.289
336 HG SER 44 HG SER 44 9.727 -6.781 -5.512
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -11.691 -7.228 1.654
2 H2 GLY 1 2HT GLY 1 -13.071 -6.445 2.260
3 H3 GLY 1 3HT GLY 1 -11.528 -5.966 2.777
4 HA2 GLY 1 1HA GLY 1 -10.982 -5.167 0.588
5 HA3 GLY 1 2HA GLY 1 -12.537 -5.734 -0.001
6 H SER 2 H SER 2 -11.356 -3.778 2.743
7 HA SER 2 HA SER 2 -13.018 -1.561 1.822
8 HB2 SER 2 2HB SER 2 -13.161 -2.675 4.637
9 HB3 SER 2 1HB SER 2 -13.972 -1.216 4.065
10 HG SER 2 HG SER 2 -14.606 -3.164 2.394
11 H ALA 3 H ALA 3 -12.039 0.350 2.056
12 HA ALA 3 HA ALA 3 -10.333 1.831 2.349
13 HB1 ALA 3 1HB ALA 3 -9.460 2.097 4.603
14 HB2 ALA 3 2HB ALA 3 -10.089 0.512 5.055
15 HB3 ALA 3 3HB ALA 3 -11.201 1.819 4.649
16 H THR 4 H THR 4 -9.501 -0.009 0.741
17 HA THR 4 HA THR 4 -7.248 -1.429 1.799
18 HB THR 4 HB THR 4 -7.154 -2.343 -0.590
19 HG1 THR 4 1HG THR 4 -9.738 -2.050 -1.076
20 HG21 THR 4 3HG2 THR 4 -9.541 -2.922 1.172
21 HG22 THR 4 1HG2 THR 4 -7.945 -3.659 1.317
22 HG23 THR 4 2HG2 THR 4 -8.930 -3.965 -0.114
23 H PHE 5 H PHE 5 -7.805 0.426 -0.891
24 HA PHE 5 HA PHE 5 -5.034 1.359 -1.048
25 HB2 PHE 5 2HB PHE 5 -7.136 1.436 -3.060
26 HB3 PHE 5 1HB PHE 5 -5.405 1.423 -3.380
27 HD1 PHE 5 1HD PHE 5 -4.616 -0.701 -1.681
28 HD2 PHE 5 2HD PHE 5 -7.994 -0.463 -4.196
29 HE1 PHE 5 1HE PHE 5 -4.677 -2.977 -1.770
30 HE2 PHE 5 2HE PHE 5 -8.054 -2.945 -4.266
31 HZ PHE 5 HZ PHE 5 -6.322 -4.184 -2.962
32 HA PRO 6 HA PRO 6 -7.859 5.247 -0.858
33 HB2 PRO 6 2HB PRO 6 -8.005 5.811 1.737
34 HB3 PRO 6 1HB PRO 6 -9.133 4.725 0.944
35 HG2 PRO 6 2HG PRO 6 -6.776 4.049 2.516
36 HG3 PRO 6 1HG PRO 6 -8.414 3.407 2.577
37 HD2 PRO 6 2HD PRO 6 -6.455 2.162 1.216
38 HD3 PRO 6 1HD PRO 6 -8.117 2.088 0.694
39 H GLU 7 H GLU 7 -7.152 7.339 -0.169
40 HA GLU 7 HA GLU 7 -4.488 7.814 -0.692
41 HB2 GLU 7 2HB GLU 7 -6.401 9.614 0.801
42 HB3 GLU 7 1HB GLU 7 -4.951 10.108 -0.051
43 HG2 GLU 7 2HG GLU 7 -7.426 8.937 -1.278
44 HG3 GLU 7 1HG GLU 7 -6.904 10.618 -1.364
45 H GLN 8 H GLN 8 -6.043 7.156 2.383
46 HA GLN 8 HA GLN 8 -4.055 7.938 4.138
47 HB2 GLN 8 2HB GLN 8 -6.104 7.010 4.977
48 HB3 GLN 8 1HB GLN 8 -5.806 5.485 4.161
49 HG2 GLN 8 2HG GLN 8 -3.997 4.969 5.617
50 HG3 GLN 8 1HG GLN 8 -4.068 6.566 6.335
51 HE21 GLN 8 1HE2 GLN 8 -6.937 4.731 5.580
52 HE22 GLN 8 2HE2 GLN 8 -7.391 4.398 7.215
53 H THR 9 H THR 9 -4.347 4.653 2.797
54 HA THR 9 HA THR 9 -1.815 3.857 3.566
55 HB THR 9 HB THR 9 -2.281 1.913 2.100
56 HG1 THR 9 1HG THR 9 -4.380 1.820 1.161
57 HG21 THR 9 3HG2 THR 9 -4.143 1.047 3.425
58 HG22 THR 9 1HG2 THR 9 -4.505 2.686 3.966
59 HG23 THR 9 2HG2 THR 9 -2.990 1.918 4.439
60 H ILE 10 H ILE 10 -3.160 5.036 0.660
61 HA ILE 10 HA ILE 10 -1.139 4.869 -1.152
62 HB ILE 10 HB ILE 10 -3.146 7.046 -0.633
63 HG12 ILE 10 2HG1 ILE 10 -3.885 4.842 -1.558
64 HG13 ILE 10 1HG1 ILE 10 -4.260 6.223 -2.581
65 HG21 ILE 10 1HG2 ILE 10 -1.196 6.943 -2.910
66 HG22 ILE 10 2HG2 ILE 10 -1.210 8.117 -1.596
67 HG23 ILE 10 3HG2 ILE 10 -2.542 8.070 -2.751
68 HD11 ILE 10 3HD1 ILE 10 -3.461 4.327 -3.868
69 HD12 ILE 10 1HD1 ILE 10 -1.959 4.335 -2.945
70 HD13 ILE 10 2HD1 ILE 10 -2.359 5.700 -3.990
71 H LYS 11 H LYS 11 -1.718 7.545 1.085
72 HA LYS 11 HA LYS 11 0.701 8.767 0.315
73 HB2 LYS 11 2HB LYS 11 -1.198 9.402 2.535
74 HB3 LYS 11 1HB LYS 11 0.198 10.395 2.129
75 HG2 LYS 11 2HG LYS 11 -0.663 10.822 -0.057
76 HG3 LYS 11 1HG LYS 11 -1.982 9.668 0.186
77 HD2 LYS 11 2HD LYS 11 -2.796 11.944 0.441
78 HD3 LYS 11 1HD LYS 11 -2.851 11.113 1.995
79 HE2 LYS 11 2HE LYS 11 -2.015 13.408 2.212
80 HE3 LYS 11 1HE LYS 11 -0.801 12.221 2.687
81 HZ1 LYS 11 3HZ LYS 11 0.368 12.548 0.678
82 HZ2 LYS 11 1HZ LYS 11 0.019 14.094 1.277
83 HZ3 LYS 11 2HZ LYS 11 -0.888 13.456 -0.011
84 H GLN 12 H GLN 12 -0.111 6.668 3.032
85 HA GLN 12 HA GLN 12 2.190 7.051 4.485
86 HB2 GLN 12 2HB GLN 12 -0.049 5.207 4.208
87 HB3 GLN 12 1HB GLN 12 1.415 4.437 4.778
88 HG2 GLN 12 2HG GLN 12 0.171 5.155 6.669
89 HG3 GLN 12 1HG GLN 12 1.591 6.167 6.489
90 HE21 GLN 12 1HE2 GLN 12 1.409 8.298 5.952
91 HE22 GLN 12 2HE2 GLN 12 -0.101 9.137 6.001
92 H LEU 13 H LEU 13 1.569 5.127 1.622
93 HA LEU 13 HA LEU 13 4.104 3.777 1.880
94 HB2 LEU 13 2HB LEU 13 1.906 3.464 -0.135
95 HB3 LEU 13 1HB LEU 13 3.300 2.427 0.052
96 HG LEU 13 HG LEU 13 1.160 2.884 2.073
97 HD11 LEU 13 1HD1 LEU 13 0.598 0.539 1.725
98 HD12 LEU 13 2HD1 LEU 13 1.856 0.422 0.492
99 HD13 LEU 13 3HD1 LEU 13 0.455 1.459 0.226
100 HD21 LEU 13 3HD2 LEU 13 3.591 1.120 2.227
101 HD22 LEU 13 1HD2 LEU 13 2.276 1.150 3.401
102 HD23 LEU 13 2HD2 LEU 13 3.286 2.577 3.175
103 H MET 14 H MET 14 2.368 5.925 -0.356
104 HA MET 14 HA MET 14 4.478 6.553 -2.033
105 HB2 MET 14 2HB MET 14 2.230 8.177 -0.863
106 HB3 MET 14 1HB MET 14 3.299 8.771 -2.122
107 HG2 MET 14 2HG MET 14 1.019 7.069 -2.333
108 HG3 MET 14 1HG MET 14 1.936 7.900 -3.540
109 HE1 MET 14 3HE MET 14 0.566 4.780 -2.701
110 HE2 MET 14 1HE MET 14 1.778 4.607 -1.435
111 HE3 MET 14 2HE MET 14 1.807 3.533 -2.833
112 H ASP 15 H ASP 15 3.740 7.472 1.202
113 HA ASP 15 HA ASP 15 5.657 9.427 1.698
114 HB2 ASP 15 2HB ASP 15 3.896 8.953 3.268
115 HB3 ASP 15 1HB ASP 15 4.482 7.314 3.505
116 H LEU 16 H LEU 16 5.995 5.817 1.678
117 HA LEU 16 HA LEU 16 8.697 6.024 2.594
118 HB2 LEU 16 2HB LEU 16 7.575 3.792 0.966
119 HB3 LEU 16 1HB LEU 16 8.793 3.736 2.210
120 HG LEU 16 HG LEU 16 5.934 4.361 2.726
121 HD11 LEU 16 1HD1 LEU 16 6.015 2.197 1.830
122 HD12 LEU 16 2HD1 LEU 16 5.758 2.077 3.569
123 HD13 LEU 16 3HD1 LEU 16 7.352 1.748 2.888
124 HD21 LEU 16 3HD2 LEU 16 7.475 5.184 4.431
125 HD22 LEU 16 1HD2 LEU 16 8.165 3.568 4.579
126 HD23 LEU 16 2HD2 LEU 16 6.491 3.858 5.050
127 H GLY 17 H GLY 17 7.219 6.860 -0.280
128 HA2 GLY 17 2HA GLY 17 8.472 8.015 -1.961
129 HA3 GLY 17 1HA GLY 17 9.820 6.934 -1.646
130 H PHE 18 H PHE 18 6.579 5.667 -1.952
131 HA PHE 18 HA PHE 18 7.484 4.215 -4.307
132 HB2 PHE 18 2HB PHE 18 5.335 3.739 -2.279
133 HB3 PHE 18 1HB PHE 18 5.638 2.656 -3.613
134 HD1 PHE 18 2HD PHE 18 8.490 2.521 -3.879
135 HD2 PHE 18 1HD PHE 18 6.037 2.868 -0.513
136 HE1 PHE 18 2HE PHE 18 10.279 1.555 -2.472
137 HE2 PHE 18 1HE PHE 18 7.711 1.994 0.866
138 HZ PHE 18 HZ PHE 18 9.838 1.315 -0.058
139 HA PRO 19 HA PRO 19 4.070 5.779 -6.836
140 HB2 PRO 19 2HB PRO 19 3.546 3.737 -8.391
141 HB3 PRO 19 1HB PRO 19 5.175 4.415 -8.412
142 HG2 PRO 19 2HG PRO 19 4.191 2.077 -6.848
143 HG3 PRO 19 1HG PRO 19 5.517 2.189 -8.005
144 HD2 PRO 19 2HD PRO 19 5.953 2.470 -5.340
145 HD3 PRO 19 1HD PRO 19 6.885 3.379 -6.555
146 H ARG 20 H ARG 20 1.879 5.412 -7.280
147 HA ARG 20 HA ARG 20 0.277 4.632 -5.099
148 HB2 ARG 20 2HB ARG 20 -0.504 6.294 -6.645
149 HB3 ARG 20 1HB ARG 20 -0.344 5.197 -7.998
150 HG2 ARG 20 2HG ARG 20 -2.132 3.872 -7.258
151 HG3 ARG 20 1HG ARG 20 -2.215 4.736 -5.734
152 HD2 ARG 20 2HD ARG 20 -2.661 6.814 -7.180
153 HD3 ARG 20 1HD ARG 20 -2.998 5.666 -8.473
154 HE ARG 20 HE ARG 20 -4.476 5.714 -5.915
155 HH11 ARG 20 1HH1 ARG 20 -4.394 5.388 -9.405
156 HH12 ARG 20 2HH1 ARG 20 -6.094 5.038 -9.534
157 HH21 ARG 20 1HH2 ARG 20 -6.683 5.250 -6.075
158 HH22 ARG 20 2HH2 ARG 20 -7.390 4.934 -7.635
159 H ASP 21 H ASP 21 1.179 3.176 -8.083
160 HA ASP 21 HA ASP 21 -0.325 0.860 -8.166
161 HB2 ASP 21 2HB ASP 21 2.610 1.032 -8.883
162 HB3 ASP 21 1HB ASP 21 1.410 -0.060 -9.565
163 H ALA 22 H ALA 22 2.457 1.654 -6.182
164 HA ALA 22 HA ALA 22 3.000 -0.992 -5.301
165 HB1 ALA 22 1HB ALA 22 4.432 0.031 -3.636
166 HB2 ALA 22 2HB ALA 22 3.731 1.613 -3.976
167 HB3 ALA 22 3HB ALA 22 4.683 0.787 -5.209
168 H VAL 23 H VAL 23 0.830 1.568 -4.174
169 HA VAL 23 HA VAL 23 0.196 0.362 -1.696
170 HB VAL 23 HB VAL 23 -0.566 2.712 -2.966
171 HG11 VAL 23 1HG1 VAL 23 -3.028 2.690 -2.875
172 HG12 VAL 23 2HG1 VAL 23 -2.953 0.936 -2.646
173 HG13 VAL 23 3HG1 VAL 23 -2.345 1.655 -4.139
174 HG21 VAL 23 3HG2 VAL 23 -0.403 2.920 -0.722
175 HG22 VAL 23 1HG2 VAL 23 -1.212 1.369 -0.427
176 HG23 VAL 23 2HG2 VAL 23 -2.170 2.778 -0.871
177 H VAL 24 H VAL 24 -1.184 0.241 -4.869
178 HA VAL 24 HA VAL 24 -3.252 -1.475 -4.164
179 HB VAL 24 HB VAL 24 -1.969 -0.801 -6.779
180 HG11 VAL 24 1HG1 VAL 24 -3.785 -2.056 -7.906
181 HG12 VAL 24 2HG1 VAL 24 -4.309 -2.677 -6.338
182 HG13 VAL 24 3HG1 VAL 24 -2.728 -3.126 -6.981
183 HG21 VAL 24 3HG2 VAL 24 -4.282 0.164 -7.125
184 HG22 VAL 24 1HG2 VAL 24 -3.309 0.918 -5.859
185 HG23 VAL 24 2HG2 VAL 24 -4.592 -0.213 -5.426
186 H LYS 25 H LYS 25 -0.064 -2.305 -5.531
187 HA LYS 25 HA LYS 25 -0.603 -5.045 -5.820
188 HB2 LYS 25 2HB LYS 25 2.014 -3.694 -5.214
189 HB3 LYS 25 1HB LYS 25 1.865 -5.341 -5.751
190 HG2 LYS 25 2HG LYS 25 0.945 -2.962 -7.332
191 HG3 LYS 25 1HG LYS 25 2.540 -3.709 -7.500
192 HD2 LYS 25 2HD LYS 25 0.076 -5.330 -7.640
193 HD3 LYS 25 1HD LYS 25 0.623 -4.455 -9.074
194 HE2 LYS 25 2HE LYS 25 2.813 -5.604 -8.852
195 HE3 LYS 25 1HE LYS 25 2.165 -6.521 -7.494
196 HZ1 LYS 25 3HZ LYS 25 0.491 -7.452 -8.984
197 HZ2 LYS 25 1HZ LYS 25 2.061 -7.808 -9.519
198 HZ3 LYS 25 2HZ LYS 25 1.157 -6.599 -10.289
199 H ALA 26 H ALA 26 0.492 -3.135 -3.073
200 HA ALA 26 HA ALA 26 1.145 -5.512 -1.558
201 HB1 ALA 26 1HB ALA 26 2.567 -3.555 -1.353
202 HB2 ALA 26 2HB ALA 26 1.787 -3.900 0.192
203 HB3 ALA 26 3HB ALA 26 1.189 -2.588 -0.827
204 H LEU 27 H LEU 27 -1.239 -2.927 -1.547
205 HA LEU 27 HA LEU 27 -2.473 -3.828 0.837
206 HB2 LEU 27 2HB LEU 27 -3.303 -1.897 -1.301
207 HB3 LEU 27 1HB LEU 27 -4.259 -2.197 0.125
208 HG LEU 27 HG LEU 27 -2.762 -0.116 0.040
209 HD11 LEU 27 1HD1 LEU 27 -2.460 -2.008 2.342
210 HD12 LEU 27 2HD1 LEU 27 -3.870 -0.993 2.049
211 HD13 LEU 27 3HD1 LEU 27 -2.308 -0.253 2.404
212 HD21 LEU 27 3HD2 LEU 27 -0.702 -2.129 0.751
213 HD22 LEU 27 1HD2 LEU 27 -0.512 -0.375 0.726
214 HD23 LEU 27 2HD2 LEU 27 -0.801 -1.256 -0.777
215 H LYS 28 H LYS 28 -2.914 -4.433 -2.610
216 HA LYS 28 HA LYS 28 -5.234 -5.945 -2.418
217 HB2 LYS 28 2HB LYS 28 -2.873 -6.223 -4.207
218 HB3 LYS 28 1HB LYS 28 -4.159 -7.381 -4.297
219 HG2 LYS 28 2HG LYS 28 -4.410 -4.411 -4.741
220 HG3 LYS 28 1HG LYS 28 -4.309 -5.646 -6.013
221 HD2 LYS 28 2HD LYS 28 -6.264 -5.896 -3.864
222 HD3 LYS 28 1HD LYS 28 -6.625 -4.770 -5.168
223 HE2 LYS 28 2HE LYS 28 -7.610 -6.656 -6.017
224 HE3 LYS 28 1HE LYS 28 -5.977 -6.894 -6.627
225 HZ1 LYS 28 3HZ LYS 28 -7.030 -8.083 -4.117
226 HZ2 LYS 28 1HZ LYS 28 -5.508 -8.379 -4.804
227 HZ3 LYS 28 2HZ LYS 28 -6.918 -8.897 -5.594
228 H GLN 29 H GLN 29 -1.818 -7.052 -1.907
229 HA GLN 29 HA GLN 29 -2.819 -9.685 -1.339
230 HB2 GLN 29 2HB GLN 29 -0.485 -10.188 -0.979
231 HB3 GLN 29 1HB GLN 29 -0.749 -9.342 -2.453
232 HG2 GLN 29 2HG GLN 29 -0.105 -7.267 -1.072
233 HG3 GLN 29 1HG GLN 29 0.648 -8.476 -0.039
234 HE21 GLN 29 1HE2 GLN 29 1.852 -6.418 -1.725
235 HE22 GLN 29 2HE2 GLN 29 2.895 -7.233 -2.834
236 H THR 30 H THR 30 -1.850 -6.940 0.535
237 HA THR 30 HA THR 30 -2.052 -8.341 3.057
238 HB THR 30 HB THR 30 -1.758 -6.091 4.037
239 HG1 THR 30 1HG THR 30 -1.304 -5.095 1.449
240 HG21 THR 30 3HG2 THR 30 0.192 -6.780 1.848
241 HG22 THR 30 1HG2 THR 30 0.194 -7.453 3.480
242 HG23 THR 30 2HG2 THR 30 0.530 -5.739 3.234
243 H ASN 31 H ASN 31 -4.238 -7.089 0.913
244 HA ASN 31 HA ASN 31 -6.317 -6.293 0.888
245 HB2 ASN 31 2HB ASN 31 -6.572 -8.497 2.216
246 HB3 ASN 31 1HB ASN 31 -6.828 -7.445 3.610
247 HD21 ASN 31 1HD2 ASN 31 -7.946 -8.203 0.386
248 HD22 ASN 31 2HD2 ASN 31 -9.575 -7.663 0.616
249 H GLY 32 H GLY 32 -4.762 -4.279 1.379
250 HA2 GLY 32 2HA GLY 32 -5.228 -2.117 1.772
251 HA3 GLY 32 1HA GLY 32 -6.687 -2.604 2.613
252 H ASN 33 H ASN 33 -4.181 -4.159 4.337
253 HA ASN 33 HA ASN 33 -4.301 -1.968 6.186
254 HB2 ASN 33 2HB ASN 33 -3.692 -3.440 7.875
255 HB3 ASN 33 1HB ASN 33 -4.813 -4.300 6.869
256 HD21 ASN 33 1HD2 ASN 33 -2.566 -4.729 4.917
257 HD22 ASN 33 2HD2 ASN 33 -1.692 -6.050 5.596
258 H ALA 34 H ALA 34 -2.781 -0.583 6.661
259 HA ALA 34 HA ALA 34 -0.990 -0.140 4.565
260 HB1 ALA 34 1HB ALA 34 -2.190 1.614 5.791
261 HB2 ALA 34 2HB ALA 34 -0.462 1.933 5.642
262 HB3 ALA 34 3HB ALA 34 -1.121 1.346 7.168
263 H GLU 35 H GLU 35 -0.160 -1.098 7.917
264 HA GLU 35 HA GLU 35 2.487 -0.590 7.508
265 HB2 GLU 35 2HB GLU 35 1.003 -2.059 9.578
266 HB3 GLU 35 1HB GLU 35 2.744 -2.001 9.580
267 HG2 GLU 35 2HG GLU 35 0.976 0.375 9.554
268 HG3 GLU 35 1HG GLU 35 1.670 -0.349 10.976
269 H PHE 36 H PHE 36 0.590 -3.360 7.372
270 HA PHE 36 HA PHE 36 2.588 -5.239 6.727
271 HB2 PHE 36 2HB PHE 36 -0.387 -5.056 6.478
272 HB3 PHE 36 1HB PHE 36 0.438 -6.395 5.721
273 HD1 PHE 36 1HD PHE 36 0.934 -4.585 8.899
274 HD2 PHE 36 2HD PHE 36 0.114 -8.319 7.050
275 HE1 PHE 36 1HE PHE 36 0.993 -5.612 11.029
276 HE2 PHE 36 2HE PHE 36 0.169 -9.407 9.264
277 HZ PHE 36 HZ PHE 36 0.611 -8.051 11.282
278 H ALA 37 H ALA 37 0.850 -2.831 4.997
279 HA ALA 37 HA ALA 37 1.103 -3.875 2.381
280 HB1 ALA 37 1HB ALA 37 0.711 -1.093 3.441
281 HB2 ALA 37 2HB ALA 37 -0.547 -2.236 2.969
282 HB3 ALA 37 3HB ALA 37 0.535 -1.562 1.751
283 H ALA 38 H ALA 38 2.850 -1.409 4.148
284 HA ALA 38 HA ALA 38 4.745 -0.707 2.290
285 HB1 ALA 38 1HB ALA 38 5.093 -0.883 5.274
286 HB2 ALA 38 2HB ALA 38 4.388 0.477 4.402
287 HB3 ALA 38 3HB ALA 38 6.083 0.058 4.162
288 H SER 39 H SER 39 4.746 -3.335 4.651
289 HA SER 39 HA SER 39 7.485 -3.987 4.244
290 HB2 SER 39 2HB SER 39 5.254 -5.612 5.495
291 HB3 SER 39 1HB SER 39 6.984 -5.915 5.678
292 HG SER 39 HG SER 39 6.619 -3.414 6.376
293 H LEU 40 H LEU 40 4.446 -4.702 2.817
294 HA LEU 40 HA LEU 40 5.328 -7.070 1.493
295 HB2 LEU 40 2HB LEU 40 2.912 -5.806 2.207
296 HB3 LEU 40 1HB LEU 40 2.959 -5.867 0.492
297 HG LEU 40 HG LEU 40 1.834 -7.848 1.147
298 HD11 LEU 40 1HD1 LEU 40 3.320 -9.672 0.514
299 HD12 LEU 40 2HD1 LEU 40 4.717 -8.615 0.718
300 HD13 LEU 40 3HD1 LEU 40 3.536 -8.283 -0.549
301 HD21 LEU 40 3HD2 LEU 40 2.392 -7.754 3.507
302 HD22 LEU 40 1HD2 LEU 40 4.051 -8.238 3.155
303 HD23 LEU 40 2HD2 LEU 40 2.725 -9.364 2.866
304 H LEU 41 H LEU 41 4.670 -3.619 0.748
305 HA LEU 41 HA LEU 41 5.131 -4.070 -2.018
306 HB2 LEU 41 2HB LEU 41 4.791 -1.792 -2.322
307 HB3 LEU 41 1HB LEU 41 3.710 -2.303 -1.042
308 HG LEU 41 HG LEU 41 5.377 -1.376 0.578
309 HD11 LEU 41 1HD1 LEU 41 6.476 -0.144 -1.900
310 HD12 LEU 41 2HD1 LEU 41 7.246 -1.397 -0.927
311 HD13 LEU 41 3HD1 LEU 41 6.967 0.206 -0.240
312 HD21 LEU 41 3HD2 LEU 41 4.061 0.445 -1.396
313 HD22 LEU 41 1HD2 LEU 41 4.621 0.918 0.209
314 HD23 LEU 41 2HD2 LEU 41 3.324 -0.266 0.039
315 H PHE 42 H PHE 42 7.010 -3.466 0.726
316 HA PHE 42 HA PHE 42 9.350 -2.391 -0.182
317 HB2 PHE 42 2HB PHE 42 8.457 -3.798 2.139
318 HB3 PHE 42 1HB PHE 42 10.089 -4.316 1.720
319 HD1 PHE 42 1HD PHE 42 7.927 -1.511 2.143
320 HD2 PHE 42 2HD PHE 42 11.919 -2.871 2.265
321 HE1 PHE 42 1HE PHE 42 8.616 0.644 2.976
322 HE2 PHE 42 2HE PHE 42 12.655 -0.685 3.154
323 HZ PHE 42 HZ PHE 42 10.985 1.102 3.521
324 H GLN 43 H GLN 43 7.981 -5.499 -0.868
325 HA GLN 43 HA GLN 43 10.137 -7.134 -1.452
326 HB2 GLN 43 2HB GLN 43 7.527 -6.771 -2.885
327 HB3 GLN 43 1HB GLN 43 8.663 -8.021 -3.329
328 HG2 GLN 43 2HG GLN 43 8.387 -9.168 -1.304
329 HG3 GLN 43 1HG GLN 43 7.598 -7.794 -0.538
330 HE21 GLN 43 1HE2 GLN 43 5.714 -7.161 -2.532
331 HE22 GLN 43 2HE2 GLN 43 4.579 -8.440 -2.633
332 H SER 44 H SER 44 8.942 -4.399 -3.079
333 HA SER 44 HA SER 44 9.712 -3.052 -4.726
334 HB2 SER 44 2HB SER 44 11.908 -3.534 -3.437
335 HB3 SER 44 1HB SER 44 12.293 -4.605 -4.784
336 HG SER 44 HG SER 44 12.032 -1.809 -4.723