Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574667 | 2m8i RC | 19258 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 10.918 -6.189 9.553
2 HA2 GLY 1 HA2 GLY 1 13.216 -6.821 9.125
3 HA3 GLY 1 HA3 GLY 1 12.169 -7.508 7.875
4 H LEU 2 H LEU 2 14.586 -7.397 7.053
5 HA LEU 2 HA LEU 2 15.650 -4.943 6.126
6 HB2 LEU 2 HB2 LEU 2 16.738 -7.282 6.413
7 HB3 LEU 2 HB3 LEU 2 16.135 -7.645 4.813
8 HG LEU 2 HG LEU 2 18.437 -7.026 4.696
9 HD11 LEU 2 HD11 LEU 2 18.552 -5.281 3.117
10 HD12 LEU 2 HD12 LEU 2 17.063 -4.515 3.698
11 HD13 LEU 2 HD13 LEU 2 17.002 -6.085 2.855
12 HD21 LEU 2 HD21 LEU 2 18.613 -5.830 6.825
13 HD22 LEU 2 HD22 LEU 2 17.752 -4.441 6.144
14 HD23 LEU 2 HD23 LEU 2 19.338 -4.892 5.512
15 H GLU 3 H GLU 3 14.918 -3.610 4.569
16 HA GLU 3 HA GLU 3 13.715 -4.737 2.136
17 HB2 GLU 3 HB2 GLU 3 11.885 -4.383 3.726
18 HB3 GLU 3 HB3 GLU 3 12.301 -2.666 3.865
19 HG2 GLU 3 HG2 GLU 3 11.786 -2.293 1.513
20 HG3 GLU 3 HG3 GLU 3 11.634 -4.027 1.212
21 H HIS 4 H HIS 4 14.954 -3.901 0.581
22 HA HIS 4 HA HIS 4 16.601 -1.528 0.924
23 HB2 HIS 4 HB2 HIS 4 15.857 -3.237 -1.503
24 HB3 HIS 4 HB3 HIS 4 16.891 -1.825 -1.607
25 HD1 HIS 4 HD1 HIS 4 16.914 -5.301 0.111
26 HD2 HIS 4 HD2 HIS 4 19.429 -2.206 -1.282
27 HE1 HIS 4 HE1 HIS 4 19.299 -6.182 0.265
28 H MET 5 H MET 5 13.988 -2.255 -1.380
29 HA MET 5 HA MET 5 13.445 0.445 -2.079
30 HB2 MET 5 HB2 MET 5 11.936 -2.136 -2.580
31 HB3 MET 5 HB3 MET 5 11.476 -0.565 -3.258
32 HG2 MET 5 HG2 MET 5 13.608 -0.343 -4.378
33 HG3 MET 5 HG3 MET 5 14.194 -1.860 -3.697
34 HE1 MET 5 HE1 MET 5 13.966 -4.119 -4.855
35 HE2 MET 5 HE2 MET 5 12.485 -4.062 -3.902
36 HE3 MET 5 HE3 MET 5 12.425 -4.623 -5.589
37 H ALA 6 H ALA 6 13.052 1.554 -0.130
38 HA ALA 6 HA ALA 6 10.637 0.857 1.415
39 HB1 ALA 6 HB1 ALA 6 12.660 1.575 2.641
40 HB2 ALA 6 HB2 ALA 6 12.654 3.122 1.759
41 HB3 ALA 6 HB3 ALA 6 11.331 2.725 2.869
42 H ASP 7 H ASP 7 8.909 1.272 -0.114
43 HA ASP 7 HA ASP 7 8.674 4.090 -0.995
44 HB2 ASP 7 HB2 ASP 7 7.737 3.459 -2.966
45 HB3 ASP 7 HB3 ASP 7 9.181 2.494 -2.821
46 H GLU 8 H GLU 8 7.399 1.893 1.127
47 HA GLU 8 HA GLU 8 4.624 2.472 0.923
48 HB2 GLU 8 HB2 GLU 8 4.464 1.247 3.026
49 HB3 GLU 8 HB3 GLU 8 5.472 0.469 1.793
50 HG2 GLU 8 HG2 GLU 8 7.480 1.312 3.065
51 HG3 GLU 8 HG3 GLU 8 6.372 1.782 4.356
52 H GLU 9 H GLU 9 6.851 4.717 1.686
53 HA GLU 9 HA GLU 9 5.026 6.106 3.587
54 HB2 GLU 9 HB2 GLU 9 7.999 6.593 3.379
55 HB3 GLU 9 HB3 GLU 9 6.871 7.205 4.564
56 HG2 GLU 9 HG2 GLU 9 6.535 4.952 5.500
57 HG3 GLU 9 HG3 GLU 9 7.599 4.248 4.271
58 H LYS 10 H LYS 10 5.449 5.867 0.498
59 HA LYS 10 HA LYS 10 5.716 8.806 -0.026
60 HB2 LYS 10 HB2 LYS 10 5.863 6.489 -1.956
61 HB3 LYS 10 HB3 LYS 10 5.961 8.200 -2.402
62 HG2 LYS 10 HG2 LYS 10 7.916 8.433 -0.788
63 HG3 LYS 10 HG3 LYS 10 7.919 6.670 -0.641
64 HD2 LYS 10 HD2 LYS 10 8.368 8.279 -3.191
65 HD3 LYS 10 HD3 LYS 10 9.596 7.410 -2.252
66 HE2 LYS 10 HE2 LYS 10 8.302 5.297 -2.635
67 HE3 LYS 10 HE3 LYS 10 7.210 6.181 -3.708
68 HZ1 LYS 10 HZ1 LYS 10 9.140 6.629 -5.141
69 HZ2 LYS 10 HZ2 LYS 10 8.877 5.030 -4.932
70 HZ3 LYS 10 HZ3 LYS 10 10.103 5.755 -4.122
71 H LEU 11 H LEU 11 3.207 6.408 0.283
72 HA LEU 11 HA LEU 11 1.342 7.568 -1.479
73 HB2 LEU 11 HB2 LEU 11 1.371 5.605 0.843
74 HB3 LEU 11 HB3 LEU 11 -0.157 6.272 0.350
75 HG LEU 11 HG LEU 11 0.537 5.637 -2.069
76 HD11 LEU 11 HD11 LEU 11 2.046 3.742 -2.288
77 HD12 LEU 11 HD12 LEU 11 2.383 3.762 -0.539
78 HD13 LEU 11 HD13 LEU 11 2.926 5.078 -1.591
79 HD21 LEU 11 HD21 LEU 11 -0.048 3.347 -0.176
80 HD22 LEU 11 HD22 LEU 11 -0.534 3.570 -1.896
81 HD23 LEU 11 HD23 LEU 11 -1.238 4.559 -0.660
82 HA PRO 12 HA PRO 12 -0.125 10.991 0.865
83 HB2 PRO 12 HB2 PRO 12 -2.781 11.068 0.100
84 HB3 PRO 12 HB3 PRO 12 -1.398 11.284 -1.037
85 HG2 PRO 12 HG2 PRO 12 -2.973 8.808 -0.417
86 HG3 PRO 12 HG3 PRO 12 -2.680 9.543 -2.034
87 HD2 PRO 12 HD2 PRO 12 -1.154 7.565 -1.010
88 HD3 PRO 12 HD3 PRO 12 -0.432 8.870 -2.020
89 HA PRO 13 HA PRO 13 -1.873 9.991 4.763
90 HB2 PRO 13 HB2 PRO 13 -3.729 12.019 5.256
91 HB3 PRO 13 HB3 PRO 13 -1.959 12.166 5.433
92 HG2 PRO 13 HG2 PRO 13 -3.686 12.933 3.059
93 HG3 PRO 13 HG3 PRO 13 -2.389 13.895 3.838
94 HD2 PRO 13 HD2 PRO 13 -1.890 12.517 1.602
95 HD3 PRO 13 HD3 PRO 13 -0.693 12.491 2.926
96 H GLY 14 H GLY 14 -3.317 8.563 5.461
97 HA2 GLY 14 HA2 GLY 14 -5.453 7.724 5.835
98 HA3 GLY 14 HA3 GLY 14 -6.053 8.373 4.300
99 H TRP 15 H TRP 15 -3.248 7.211 3.176
100 HA TRP 15 HA TRP 15 -4.375 4.506 2.680
101 HB2 TRP 15 HB2 TRP 15 -2.284 6.095 1.181
102 HB3 TRP 15 HB3 TRP 15 -2.675 4.415 0.900
103 HD1 TRP 15 HD1 TRP 15 -4.442 7.814 0.677
104 HE1 TRP 15 HE1 TRP 15 -6.134 7.712 -1.257
105 HE3 TRP 15 HE3 TRP 15 -4.024 2.875 -0.535
106 HZ2 TRP 15 HZ2 TRP 15 -7.387 5.693 -2.876
107 HZ3 TRP 15 HZ3 TRP 15 -5.465 1.877 -2.297
108 HH2 TRP 15 HH2 TRP 15 -7.184 3.274 -3.442
109 H GLU 16 H GLU 16 -2.867 2.761 2.540
110 HA GLU 16 HA GLU 16 -0.357 2.843 4.077
111 HB2 GLU 16 HB2 GLU 16 -2.993 1.710 4.977
112 HB3 GLU 16 HB3 GLU 16 -1.621 0.628 5.148
113 HG2 GLU 16 HG2 GLU 16 -1.419 3.484 6.170
114 HG3 GLU 16 HG3 GLU 16 -2.250 2.244 7.085
115 H LYS 17 H LYS 17 1.035 1.601 2.983
116 HA LYS 17 HA LYS 17 0.153 -0.105 0.742
117 HB2 LYS 17 HB2 LYS 17 2.050 1.546 0.708
118 HB3 LYS 17 HB3 LYS 17 2.875 0.534 1.868
119 HG2 LYS 17 HG2 LYS 17 2.120 -0.228 -0.958
120 HG3 LYS 17 HG3 LYS 17 3.701 0.384 -0.445
121 HD2 LYS 17 HD2 LYS 17 2.349 -2.269 0.291
122 HD3 LYS 17 HD3 LYS 17 3.696 -2.023 -0.838
123 HE2 LYS 17 HE2 LYS 17 5.138 -1.136 0.877
124 HE3 LYS 17 HE3 LYS 17 3.851 -1.201 2.088
125 HZ1 LYS 17 HZ1 LYS 17 3.990 -3.670 1.836
126 HZ2 LYS 17 HZ2 LYS 17 5.228 -2.861 2.521
127 HZ3 LYS 17 HZ3 LYS 17 5.429 -3.400 1.002
128 H ARG 18 H ARG 18 -0.525 -2.113 1.252
129 HA ARG 18 HA ARG 18 0.864 -3.648 3.415
130 HB2 ARG 18 HB2 ARG 18 -2.131 -3.692 2.821
131 HB3 ARG 18 HB3 ARG 18 -1.284 -4.636 4.038
132 HG2 ARG 18 HG2 ARG 18 -0.501 -2.172 4.837
133 HG3 ARG 18 HG3 ARG 18 -2.027 -1.736 4.060
134 HD2 ARG 18 HD2 ARG 18 -3.172 -3.473 5.495
135 HD3 ARG 18 HD3 ARG 18 -1.632 -3.779 6.302
136 HE ARG 18 HE ARG 18 -3.475 -1.675 6.832
137 HH11 ARG 18 HH11 ARG 18 0.073 -2.339 6.928
138 HH12 ARG 18 HH12 ARG 18 0.335 -1.075 8.077
139 HH21 ARG 18 HH21 ARG 18 -2.939 0.103 8.316
140 HH22 ARG 18 HH22 ARG 18 -1.261 0.364 8.602
141 H MET 19 H MET 19 -0.022 -6.099 3.182
142 HA MET 19 HA MET 19 0.280 -6.917 0.357
143 HB2 MET 19 HB2 MET 19 2.342 -7.065 1.772
144 HB3 MET 19 HB3 MET 19 1.496 -8.283 2.768
145 HG2 MET 19 HG2 MET 19 1.131 -9.594 0.680
146 HG3 MET 19 HG3 MET 19 2.141 -8.432 -0.196
147 HE1 MET 19 HE1 MET 19 5.627 -8.841 1.413
148 HE2 MET 19 HE2 MET 19 4.698 -8.185 0.066
149 HE3 MET 19 HE3 MET 19 4.344 -7.639 1.724
150 H SER 20 H SER 20 -1.168 -8.262 -0.308
151 HA SER 20 HA SER 20 -3.470 -8.961 1.161
152 HB2 SER 20 HB2 SER 20 -3.109 -8.604 -1.399
153 HB3 SER 20 HB3 SER 20 -2.687 -10.320 -1.414
154 HG SER 20 HG SER 20 -4.868 -10.169 -1.736
155 H ARG 21 H ARG 21 -3.630 -10.412 2.619
156 HA ARG 21 HA ARG 21 -1.765 -12.424 3.289
157 HB2 ARG 21 HB2 ARG 21 -4.680 -11.936 4.029
158 HB3 ARG 21 HB3 ARG 21 -3.751 -13.237 4.752
159 HG2 ARG 21 HG2 ARG 21 -2.823 -10.336 4.850
160 HG3 ARG 21 HG3 ARG 21 -3.868 -11.045 6.081
161 HD2 ARG 21 HD2 ARG 21 -1.153 -12.202 5.325
162 HD3 ARG 21 HD3 ARG 21 -1.379 -11.082 6.644
163 HE ARG 21 HE ARG 21 -3.235 -13.061 7.146
164 HH11 ARG 21 HH11 ARG 21 0.338 -12.766 7.070
165 HH12 ARG 21 HH12 ARG 21 0.537 -14.186 8.033
166 HH21 ARG 21 HH21 ARG 21 -2.869 -14.865 8.477
167 HH22 ARG 21 HH22 ARG 21 -1.281 -15.525 8.618
168 H SER 22 H SER 22 -3.808 -12.584 0.567
169 HA SER 22 HA SER 22 -4.671 -15.307 0.699
170 HB2 SER 22 HB2 SER 22 -4.823 -14.782 -1.853
171 HB3 SER 22 HB3 SER 22 -5.782 -13.767 -0.758
172 HG SER 22 HG SER 22 -4.692 -12.382 -2.141
173 H SER 23 H SER 23 -2.102 -13.729 -1.233
174 HA SER 23 HA SER 23 -0.412 -16.176 -1.016
175 HB2 SER 23 HB2 SER 23 0.197 -15.815 -3.407
176 HB3 SER 23 HB3 SER 23 -1.487 -16.273 -3.128
177 HG SER 23 HG SER 23 -1.932 -14.631 -4.298
178 H GLY 24 H GLY 24 -0.516 -12.885 -0.313
179 HA2 GLY 24 HA2 GLY 24 1.224 -11.711 0.656
180 HA3 GLY 24 HA3 GLY 24 2.418 -12.731 -0.150
181 H ARG 25 H ARG 25 -0.461 -10.993 -1.537
182 HA ARG 25 HA ARG 25 1.297 -9.910 -3.638
183 HB2 ARG 25 HB2 ARG 25 -1.579 -10.646 -3.401
184 HB3 ARG 25 HB3 ARG 25 -1.286 -9.178 -4.319
185 HG2 ARG 25 HG2 ARG 25 0.303 -11.726 -4.854
186 HG3 ARG 25 HG3 ARG 25 -1.269 -11.428 -5.614
187 HD2 ARG 25 HD2 ARG 25 -0.434 -9.245 -6.439
188 HD3 ARG 25 HD3 ARG 25 1.173 -9.620 -5.818
189 HE ARG 25 HE ARG 25 0.391 -11.722 -7.535
190 HH11 ARG 25 HH11 ARG 25 0.992 -8.207 -7.721
191 HH12 ARG 25 HH12 ARG 25 1.261 -8.234 -9.438
192 HH21 ARG 25 HH21 ARG 25 1.121 -11.730 -9.782
193 HH22 ARG 25 HH22 ARG 25 1.312 -10.207 -10.603
194 H VAL 26 H VAL 26 2.188 -7.929 -3.422
195 HA VAL 26 HA VAL 26 1.370 -6.165 -1.316
196 HB VAL 26 HB VAL 26 3.182 -5.728 -3.718
197 HG11 VAL 26 HG11 VAL 26 2.527 -3.555 -2.794
198 HG12 VAL 26 HG12 VAL 26 2.832 -4.157 -1.140
199 HG13 VAL 26 HG13 VAL 26 4.170 -3.921 -2.295
200 HG21 VAL 26 HG21 VAL 26 3.812 -6.429 -0.821
201 HG22 VAL 26 HG22 VAL 26 3.968 -7.560 -2.199
202 HG23 VAL 26 HG23 VAL 26 4.996 -6.138 -2.103
203 H TYR 27 H TYR 27 0.114 -4.324 -1.297
204 HA TYR 27 HA TYR 27 -0.781 -3.021 -3.705
205 HB2 TYR 27 HB2 TYR 27 -3.101 -3.397 -3.531
206 HB3 TYR 27 HB3 TYR 27 -2.364 -4.979 -3.560
207 HD1 TYR 27 HD1 TYR 27 -1.880 -6.030 -1.136
208 HD2 TYR 27 HD2 TYR 27 -4.800 -2.984 -1.968
209 HE1 TYR 27 HE1 TYR 27 -3.140 -6.698 0.879
210 HE2 TYR 27 HE2 TYR 27 -6.069 -3.651 0.093
211 HH TYR 27 HH TYR 27 -5.057 -6.460 2.089
212 H TYR 28 H TYR 28 -2.672 -1.385 -2.815
213 HA TYR 28 HA TYR 28 -1.637 -0.086 -0.349
214 HB2 TYR 28 HB2 TYR 28 -2.988 1.249 -2.716
215 HB3 TYR 28 HB3 TYR 28 -2.139 1.996 -1.378
216 HD1 TYR 28 HD2 TYR 28 0.407 1.262 -1.111
217 HD2 TYR 28 HD1 TYR 28 -1.842 1.103 -4.774
218 HE1 TYR 28 HE2 TYR 28 2.504 1.533 -2.377
219 HE2 TYR 28 HE1 TYR 28 0.257 1.255 -6.061
220 HH TYR 28 HH TYR 28 3.418 1.799 -4.450
221 H PHE 29 H PHE 29 -3.215 0.619 1.161
222 HA PHE 29 HA PHE 29 -6.066 0.172 0.504
223 HB2 PHE 29 HB2 PHE 29 -5.512 -1.833 1.649
224 HB3 PHE 29 HB3 PHE 29 -4.411 -1.001 2.740
225 HD1 PHE 29 HD2 PHE 29 -8.106 -0.230 1.996
226 HD2 PHE 29 HD1 PHE 29 -5.116 -1.431 4.889
227 HE1 PHE 29 HE2 PHE 29 -9.788 -0.177 3.765
228 HE2 PHE 29 HE1 PHE 29 -6.846 -1.373 6.664
229 HZ PHE 29 HZ PHE 29 -9.187 -0.745 6.094
230 H ASN 30 H ASN 30 -7.294 1.734 1.081
231 HA ASN 30 HA ASN 30 -6.287 3.957 2.737
232 HB2 ASN 30 HB2 ASN 30 -7.234 4.264 0.304
233 HB3 ASN 30 HB3 ASN 30 -8.755 3.993 0.980
234 HD21 ASN 30 HD21 ASN 30 -6.665 6.656 0.668
235 HD22 ASN 30 HD22 ASN 30 -7.551 7.684 1.779
236 H HIS 31 H HIS 31 -6.768 3.489 4.805
237 HA HIS 31 HA HIS 31 -9.228 2.036 5.502
238 HB2 HIS 31 HB2 HIS 31 -8.325 2.202 7.805
239 HB3 HIS 31 HB3 HIS 31 -7.264 1.390 6.661
240 HD1 HIS 31 HD1 HIS 31 -7.367 4.428 8.951
241 HD2 HIS 31 HD2 HIS 31 -4.984 2.708 5.893
242 HE1 HIS 31 HE1 HIS 31 -5.173 5.634 8.977
243 H ILE 32 H ILE 32 -8.636 5.276 4.787
244 HA ILE 32 HA ILE 32 -10.393 6.415 6.853
245 HB ILE 32 HB ILE 32 -8.478 7.369 4.754
246 HG12 ILE 32 HG12 ILE 32 -7.893 9.037 6.407
247 HG13 ILE 32 HG13 ILE 32 -9.267 8.588 7.424
248 HG21 ILE 32 HG21 ILE 32 -10.861 9.112 5.446
249 HG22 ILE 32 HG22 ILE 32 -9.364 9.660 4.675
250 HG23 ILE 32 HG23 ILE 32 -10.390 8.509 3.829
251 HD11 ILE 32 HD11 ILE 32 -7.021 7.664 8.151
252 HD12 ILE 32 HD12 ILE 32 -8.281 6.437 7.909
253 HD13 ILE 32 HD13 ILE 32 -7.026 6.655 6.684
254 H THR 33 H THR 33 -10.488 5.408 3.441
255 HA THR 33 HA THR 33 -13.413 6.061 3.426
256 HB THR 33 HB THR 33 -11.739 7.545 2.169
257 HG1 THR 33 HG1 THR 33 -14.111 6.526 1.108
258 HG21 THR 33 HG21 THR 33 -10.518 5.568 1.161
259 HG22 THR 33 HG22 THR 33 -10.901 6.911 0.083
260 HG23 THR 33 HG23 THR 33 -11.880 5.418 0.030
261 H ASN 34 H ASN 34 -11.196 3.523 3.333
262 HA ASN 34 HA ASN 34 -11.345 1.367 3.045
263 HB2 ASN 34 HB2 ASN 34 -13.738 1.920 3.981
264 HB3 ASN 34 HB3 ASN 34 -14.262 1.462 2.381
265 HD21 ASN 34 HD21 ASN 34 -15.216 -0.570 2.915
266 HD22 ASN 34 HD22 ASN 34 -14.386 -1.815 3.878
267 H ALA 35 H ALA 35 -10.392 2.775 0.998
268 HA ALA 35 HA ALA 35 -11.280 1.314 -1.460
269 HB1 ALA 35 HB1 ALA 35 -10.408 3.231 -2.723
270 HB2 ALA 35 HB2 ALA 35 -11.702 3.721 -1.604
271 HB3 ALA 35 HB3 ALA 35 -10.003 4.062 -1.203
272 H SER 36 H SER 36 -9.797 -0.083 -2.084
273 HA SER 36 HA SER 36 -6.926 0.282 -1.561
274 HB2 SER 36 HB2 SER 36 -6.735 -2.059 -0.894
275 HB3 SER 36 HB3 SER 36 -7.676 -1.120 0.255
276 HG SER 36 HG SER 36 -9.592 -1.998 -0.683
277 H GLN 37 H GLN 37 -5.554 -0.375 -3.194
278 HA GLN 37 HA GLN 37 -6.255 -2.318 -5.165
279 HB2 GLN 37 HB2 GLN 37 -5.976 -0.447 -6.999
280 HB3 GLN 37 HB3 GLN 37 -7.527 -0.759 -6.314
281 HG2 GLN 37 HG2 GLN 37 -6.561 1.341 -4.674
282 HG3 GLN 37 HG3 GLN 37 -5.774 1.651 -6.187
283 HE21 GLN 37 HE21 GLN 37 -6.984 3.313 -7.216
284 HE22 GLN 37 HE22 GLN 37 -8.745 3.351 -7.147
285 H TRP 38 H TRP 38 -4.521 -2.370 -6.826
286 HA TRP 38 HA TRP 38 -1.840 -1.894 -5.644
287 HB2 TRP 38 HB2 TRP 38 -1.171 -2.787 -7.958
288 HB3 TRP 38 HB3 TRP 38 -1.951 -3.918 -6.836
289 HD1 TRP 38 HD1 TRP 38 -3.164 -1.557 -9.720
290 HE1 TRP 38 HE1 TRP 38 -5.068 -2.650 -10.937
291 HE3 TRP 38 HE3 TRP 38 -3.468 -5.905 -7.040
292 HZ2 TRP 38 HZ2 TRP 38 -6.159 -5.380 -11.168
293 HZ3 TRP 38 HZ3 TRP 38 -4.835 -7.801 -7.884
294 HH2 TRP 38 HH2 TRP 38 -6.143 -7.549 -9.974
295 H GLU 39 H GLU 39 -4.118 -0.211 -7.458
296 HA GLU 39 HA GLU 39 -2.462 1.315 -9.249
297 HB2 GLU 39 HB2 GLU 39 -4.876 0.588 -9.552
298 HB3 GLU 39 HB3 GLU 39 -5.339 1.805 -8.359
299 HG2 GLU 39 HG2 GLU 39 -4.293 3.567 -9.755
300 HG3 GLU 39 HG3 GLU 39 -3.788 2.334 -10.923
301 H ARG 40 H ARG 40 -1.150 2.756 -8.473
302 HA ARG 40 HA ARG 40 -0.918 3.669 -5.852
303 HB2 ARG 40 HB2 ARG 40 0.009 4.866 -8.482
304 HB3 ARG 40 HB3 ARG 40 0.440 5.587 -6.921
305 HG2 ARG 40 HG2 ARG 40 1.502 3.590 -6.157
306 HG3 ARG 40 HG3 ARG 40 0.941 2.654 -7.563
307 HD2 ARG 40 HD2 ARG 40 2.276 3.956 -9.058
308 HD3 ARG 40 HD3 ARG 40 2.776 5.049 -7.741
309 HE ARG 40 HE ARG 40 3.421 2.386 -7.030
310 HH11 ARG 40 HH11 ARG 40 4.374 4.852 -9.431
311 HH12 ARG 40 HH12 ARG 40 6.038 4.368 -9.478
312 HH21 ARG 40 HH21 ARG 40 5.623 1.619 -7.235
313 HH22 ARG 40 HH22 ARG 40 6.735 2.530 -8.237
314 HA PRO 41 HA PRO 41 -4.165 6.707 -5.568
315 HB2 PRO 41 HB2 PRO 41 -3.579 7.812 -3.139
316 HB3 PRO 41 HB3 PRO 41 -4.203 6.162 -3.357
317 HG2 PRO 41 HG2 PRO 41 -1.281 6.964 -2.979
318 HG3 PRO 41 HG3 PRO 41 -2.265 5.809 -2.076
319 HD2 PRO 41 HD2 PRO 41 -0.642 5.162 -4.228
320 HD3 PRO 41 HD3 PRO 41 -2.154 4.250 -3.919
321 H SER 42 H SER 42 -4.290 9.166 -4.908
322 HA SER 42 HA SER 42 -1.972 10.796 -5.657
323 HB2 SER 42 HB2 SER 42 -4.563 10.805 -7.275
324 HB3 SER 42 HB3 SER 42 -3.187 11.899 -7.498
325 HG SER 42 HG SER 42 -3.469 9.928 -8.908
326 H GLY 43 H GLY 43 -2.416 11.248 -3.284
327 HA2 GLY 43 HA2 GLY 43 -4.398 13.456 -3.098
328 HA3 GLY 43 HA3 GLY 43 -4.584 12.115 -1.969
Start of MODEL 2
1 H1 GLY 1 H GLY 1 17.379 -5.559 -0.098
2 HA2 GLY 1 HA2 GLY 1 17.571 -3.630 -1.576
3 HA3 GLY 1 HA3 GLY 1 15.944 -4.011 -2.184
4 H LEU 2 H LEU 2 14.296 -4.277 -0.289
5 HA LEU 2 HA LEU 2 13.820 -1.776 0.876
6 HB2 LEU 2 HB2 LEU 2 12.573 -4.463 1.524
7 HB3 LEU 2 HB3 LEU 2 11.884 -2.876 1.850
8 HG LEU 2 HG LEU 2 12.427 -3.978 -0.929
9 HD11 LEU 2 HD11 LEU 2 10.629 -5.189 0.245
10 HD12 LEU 2 HD12 LEU 2 10.018 -4.239 -1.120
11 HD13 LEU 2 HD13 LEU 2 9.800 -3.644 0.535
12 HD21 LEU 2 HD21 LEU 2 11.038 -2.084 -1.677
13 HD22 LEU 2 HD22 LEU 2 12.554 -1.560 -0.953
14 HD23 LEU 2 HD23 LEU 2 11.037 -1.431 -0.026
15 H GLU 3 H GLU 3 16.308 -3.428 1.974
16 HA GLU 3 HA GLU 3 15.894 -3.786 4.789
17 HB2 GLU 3 HB2 GLU 3 17.751 -4.805 3.543
18 HB3 GLU 3 HB3 GLU 3 18.320 -3.214 3.021
19 HG2 GLU 3 HG2 GLU 3 18.826 -2.642 5.403
20 HG3 GLU 3 HG3 GLU 3 18.336 -4.277 5.880
21 H HIS 4 H HIS 4 16.704 -1.081 2.698
22 HA HIS 4 HA HIS 4 16.200 0.871 4.847
23 HB2 HIS 4 HB2 HIS 4 18.242 2.068 4.505
24 HB3 HIS 4 HB3 HIS 4 18.664 0.404 4.862
25 HD1 HIS 4 HD1 HIS 4 19.085 3.043 2.268
26 HD2 HIS 4 HD2 HIS 4 19.460 -1.138 2.597
27 HE1 HIS 4 HE1 HIS 4 20.493 2.267 0.254
28 H MET 5 H MET 5 15.795 -0.144 1.606
29 HA MET 5 HA MET 5 15.415 2.544 0.502
30 HB2 MET 5 HB2 MET 5 15.228 -0.252 -0.689
31 HB3 MET 5 HB3 MET 5 14.841 1.212 -1.580
32 HG2 MET 5 HG2 MET 5 17.526 0.594 -0.306
33 HG3 MET 5 HG3 MET 5 17.147 0.488 -2.021
34 HE1 MET 5 HE1 MET 5 16.703 2.532 -3.610
35 HE2 MET 5 HE2 MET 5 15.383 3.164 -2.599
36 HE3 MET 5 HE3 MET 5 16.703 4.235 -3.100
37 H ALA 6 H ALA 6 13.755 2.935 2.231
38 HA ALA 6 HA ALA 6 11.140 1.685 1.742
39 HB1 ALA 6 HB1 ALA 6 10.377 3.283 3.511
40 HB2 ALA 6 HB2 ALA 6 11.667 2.191 4.025
41 HB3 ALA 6 HB3 ALA 6 12.043 3.879 3.643
42 H ASP 7 H ASP 7 11.132 2.289 -0.552
43 HA ASP 7 HA ASP 7 10.454 5.171 -1.047
44 HB2 ASP 7 HB2 ASP 7 12.276 4.250 -2.488
45 HB3 ASP 7 HB3 ASP 7 11.124 3.071 -3.131
46 H GLU 8 H GLU 8 9.414 1.761 -1.452
47 HA GLU 8 HA GLU 8 6.969 2.417 -2.724
48 HB2 GLU 8 HB2 GLU 8 6.264 0.167 -2.204
49 HB3 GLU 8 HB3 GLU 8 7.896 0.224 -2.846
50 HG2 GLU 8 HG2 GLU 8 8.762 -0.066 -0.479
51 HG3 GLU 8 HG3 GLU 8 7.092 -0.241 0.057
52 H GLU 9 H GLU 9 7.941 2.900 0.473
53 HA GLU 9 HA GLU 9 5.335 2.967 1.773
54 HB2 GLU 9 HB2 GLU 9 8.123 3.900 2.616
55 HB3 GLU 9 HB3 GLU 9 6.740 3.802 3.697
56 HG2 GLU 9 HG2 GLU 9 8.081 1.442 2.312
57 HG3 GLU 9 HG3 GLU 9 8.293 1.915 3.988
58 H LYS 10 H LYS 10 6.288 4.834 -0.552
59 HA LYS 10 HA LYS 10 6.232 7.532 0.532
60 HB2 LYS 10 HB2 LYS 10 6.346 8.251 -1.764
61 HB3 LYS 10 HB3 LYS 10 7.405 6.880 -1.550
62 HG2 LYS 10 HG2 LYS 10 5.223 5.526 -2.410
63 HG3 LYS 10 HG3 LYS 10 4.763 7.107 -3.028
64 HD2 LYS 10 HD2 LYS 10 7.034 5.312 -3.856
65 HD3 LYS 10 HD3 LYS 10 5.800 6.071 -4.854
66 HE2 LYS 10 HE2 LYS 10 6.845 8.245 -4.640
67 HE3 LYS 10 HE3 LYS 10 7.910 7.664 -3.352
68 HZ1 LYS 10 HZ1 LYS 10 8.911 6.154 -4.972
69 HZ2 LYS 10 HZ2 LYS 10 9.187 7.737 -5.261
70 HZ3 LYS 10 HZ3 LYS 10 8.077 6.952 -6.181
71 H LEU 11 H LEU 11 3.689 5.398 0.304
72 HA LEU 11 HA LEU 11 1.715 6.739 -0.976
73 HB2 LEU 11 HB2 LEU 11 1.724 4.757 1.312
74 HB3 LEU 11 HB3 LEU 11 0.222 5.560 0.906
75 HG LEU 11 HG LEU 11 0.843 4.936 -1.594
76 HD11 LEU 11 HD11 LEU 11 3.066 3.997 -1.062
77 HD12 LEU 11 HD12 LEU 11 2.003 2.838 -1.830
78 HD13 LEU 11 HD13 LEU 11 2.299 2.736 -0.075
79 HD21 LEU 11 HD21 LEU 11 -0.215 2.806 0.287
80 HD22 LEU 11 HD22 LEU 11 -0.458 2.968 -1.484
81 HD23 LEU 11 HD23 LEU 11 -1.145 4.151 -0.404
82 HA PRO 12 HA PRO 12 0.548 10.304 1.292
83 HB2 PRO 12 HB2 PRO 12 -2.030 10.599 0.350
84 HB3 PRO 12 HB3 PRO 12 -0.579 10.671 -0.718
85 HG2 PRO 12 HG2 PRO 12 -2.413 8.370 -0.143
86 HG3 PRO 12 HG3 PRO 12 -1.964 9.040 -1.745
87 HD2 PRO 12 HD2 PRO 12 -0.683 6.932 -0.595
88 HD3 PRO 12 HD3 PRO 12 0.188 8.136 -1.610
89 HA PRO 13 HA PRO 13 -1.564 9.199 5.006
90 HB2 PRO 13 HB2 PRO 13 -3.345 11.183 5.630
91 HB3 PRO 13 HB3 PRO 13 -1.569 11.384 5.765
92 HG2 PRO 13 HG2 PRO 13 -3.367 12.208 3.478
93 HG3 PRO 13 HG3 PRO 13 -2.121 13.178 4.299
94 HD2 PRO 13 HD2 PRO 13 -1.535 11.926 1.981
95 HD3 PRO 13 HD3 PRO 13 -0.355 11.936 3.310
96 H GLY 14 H GLY 14 -3.490 8.352 5.874
97 HA2 GLY 14 HA2 GLY 14 -5.586 7.518 5.904
98 HA3 GLY 14 HA3 GLY 14 -5.946 8.144 4.293
99 H TRP 15 H TRP 15 -3.188 6.876 3.419
100 HA TRP 15 HA TRP 15 -4.298 4.170 2.934
101 HB2 TRP 15 HB2 TRP 15 -2.004 5.665 1.658
102 HB3 TRP 15 HB3 TRP 15 -2.318 3.970 1.405
103 HD1 TRP 15 HD1 TRP 15 -3.975 7.410 0.796
104 HE1 TRP 15 HE1 TRP 15 -5.393 7.278 -1.381
105 HE3 TRP 15 HE3 TRP 15 -3.688 2.410 -0.093
106 HZ2 TRP 15 HZ2 TRP 15 -6.531 5.240 -3.027
107 HZ3 TRP 15 HZ3 TRP 15 -4.993 1.380 -1.975
108 HH2 TRP 15 HH2 TRP 15 -6.432 2.789 -3.406
109 H GLU 16 H GLU 16 -2.891 2.488 2.872
110 HA GLU 16 HA GLU 16 -0.534 2.305 4.645
111 HB2 GLU 16 HB2 GLU 16 -3.235 0.912 4.924
112 HB3 GLU 16 HB3 GLU 16 -1.769 0.048 5.339
113 HG2 GLU 16 HG2 GLU 16 -2.317 2.758 6.565
114 HG3 GLU 16 HG3 GLU 16 -3.047 1.286 7.209
115 H LYS 17 H LYS 17 0.770 0.607 3.905
116 HA LYS 17 HA LYS 17 0.141 -0.608 1.279
117 HB2 LYS 17 HB2 LYS 17 2.195 0.950 1.700
118 HB3 LYS 17 HB3 LYS 17 2.854 -0.390 2.653
119 HG2 LYS 17 HG2 LYS 17 1.805 -0.762 -0.142
120 HG3 LYS 17 HG3 LYS 17 3.437 -0.154 0.104
121 HD2 LYS 17 HD2 LYS 17 2.541 -2.817 1.308
122 HD3 LYS 17 HD3 LYS 17 2.903 -2.644 -0.394
123 HE2 LYS 17 HE2 LYS 17 4.982 -3.239 0.403
124 HE3 LYS 17 HE3 LYS 17 5.092 -1.470 0.335
125 HZ1 LYS 17 HZ1 LYS 17 5.081 -1.329 2.621
126 HZ2 LYS 17 HZ2 LYS 17 5.993 -2.603 2.310
127 HZ3 LYS 17 HZ3 LYS 17 4.469 -2.875 2.842
128 H ARG 18 H ARG 18 -0.860 -2.517 1.803
129 HA ARG 18 HA ARG 18 0.484 -4.264 3.809
130 HB2 ARG 18 HB2 ARG 18 -2.545 -4.094 3.630
131 HB3 ARG 18 HB3 ARG 18 -1.548 -4.986 4.764
132 HG2 ARG 18 HG2 ARG 18 -0.623 -2.495 5.323
133 HG3 ARG 18 HG3 ARG 18 -2.224 -2.072 4.685
134 HD2 ARG 18 HD2 ARG 18 -3.198 -3.732 6.275
135 HD3 ARG 18 HD3 ARG 18 -1.592 -4.027 6.940
136 HE ARG 18 HE ARG 18 -1.542 -1.497 7.427
137 HH11 ARG 18 HH11 ARG 18 -4.641 -3.297 7.615
138 HH12 ARG 18 HH12 ARG 18 -5.212 -2.170 8.851
139 HH21 ARG 18 HH21 ARG 18 -2.240 -0.396 9.141
140 HH22 ARG 18 HH22 ARG 18 -3.708 -0.798 9.983
141 H MET 19 H MET 19 -0.161 -6.484 3.712
142 HA MET 19 HA MET 19 -0.189 -7.366 0.871
143 HB2 MET 19 HB2 MET 19 1.627 -7.860 2.622
144 HB3 MET 19 HB3 MET 19 0.487 -9.032 3.300
145 HG2 MET 19 HG2 MET 19 0.343 -10.056 1.011
146 HG3 MET 19 HG3 MET 19 1.602 -8.948 0.464
147 HE1 MET 19 HE1 MET 19 3.652 -8.714 2.678
148 HE2 MET 19 HE2 MET 19 4.741 -10.096 2.469
149 HE3 MET 19 HE3 MET 19 4.184 -9.178 1.052
150 H SER 20 H SER 20 -1.584 -8.983 0.135
151 HA SER 20 HA SER 20 -4.181 -9.244 1.457
152 HB2 SER 20 HB2 SER 20 -3.953 -8.917 -1.014
153 HB3 SER 20 HB3 SER 20 -3.051 -10.439 -1.111
154 HG SER 20 HG SER 20 -4.906 -11.320 -1.325
155 H ARG 21 H ARG 21 -4.272 -10.697 3.113
156 HA ARG 21 HA ARG 21 -2.445 -12.742 3.628
157 HB2 ARG 21 HB2 ARG 21 -4.166 -13.688 5.173
158 HB3 ARG 21 HB3 ARG 21 -3.882 -11.972 5.365
159 HG2 ARG 21 HG2 ARG 21 -5.976 -11.575 3.920
160 HG3 ARG 21 HG3 ARG 21 -6.287 -13.305 4.025
161 HD2 ARG 21 HD2 ARG 21 -6.559 -13.193 6.414
162 HD3 ARG 21 HD3 ARG 21 -5.821 -11.593 6.489
163 HE ARG 21 HE ARG 21 -7.748 -10.552 5.760
164 HH11 ARG 21 HH11 ARG 21 -8.319 -14.069 5.646
165 HH12 ARG 21 HH12 ARG 21 -10.019 -13.933 5.898
166 HH21 ARG 21 HH21 ARG 21 -9.877 -10.337 5.872
167 HH22 ARG 21 HH22 ARG 21 -11.011 -11.669 5.909
168 H SER 22 H SER 22 -5.241 -13.074 1.422
169 HA SER 22 HA SER 22 -5.435 -15.853 1.537
170 HB2 SER 22 HB2 SER 22 -5.861 -14.179 -0.939
171 HB3 SER 22 HB3 SER 22 -6.710 -15.654 -0.463
172 HG SER 22 HG SER 22 -7.580 -14.491 1.328
173 H SER 23 H SER 23 -3.147 -13.915 -0.441
174 HA SER 23 HA SER 23 -1.734 -16.471 -1.081
175 HB2 SER 23 HB2 SER 23 -2.303 -14.242 -3.059
176 HB3 SER 23 HB3 SER 23 -1.295 -15.671 -3.363
177 HG SER 23 HG SER 23 -3.098 -16.965 -3.028
178 H GLY 24 H GLY 24 -1.528 -12.991 -0.536
179 HA2 GLY 24 HA2 GLY 24 0.336 -12.188 0.769
180 HA3 GLY 24 HA3 GLY 24 1.421 -13.227 -0.168
181 H ARG 25 H ARG 25 -1.320 -11.283 -1.494
182 HA ARG 25 HA ARG 25 0.422 -10.202 -3.540
183 HB2 ARG 25 HB2 ARG 25 -2.130 -10.966 -3.551
184 HB3 ARG 25 HB3 ARG 25 -2.452 -9.324 -3.034
185 HG2 ARG 25 HG2 ARG 25 -0.926 -10.089 -5.555
186 HG3 ARG 25 HG3 ARG 25 -2.653 -9.840 -5.479
187 HD2 ARG 25 HD2 ARG 25 -2.120 -7.782 -6.210
188 HD3 ARG 25 HD3 ARG 25 -2.077 -7.475 -4.487
189 HE ARG 25 HE ARG 25 0.044 -6.771 -4.821
190 HH11 ARG 25 HH11 ARG 25 -0.585 -8.973 -7.500
191 HH12 ARG 25 HH12 ARG 25 1.058 -9.197 -7.942
192 HH21 ARG 25 HH21 ARG 25 2.151 -6.588 -5.703
193 HH22 ARG 25 HH22 ARG 25 2.630 -7.648 -6.980
194 H VAL 26 H VAL 26 1.704 -8.415 -3.089
195 HA VAL 26 HA VAL 26 1.294 -6.719 -0.776
196 HB VAL 26 HB VAL 26 3.114 -6.542 -3.233
197 HG11 VAL 26 HG11 VAL 26 2.854 -4.326 -2.177
198 HG12 VAL 26 HG12 VAL 26 3.229 -5.039 -0.595
199 HG13 VAL 26 HG13 VAL 26 4.469 -4.987 -1.862
200 HG21 VAL 26 HG21 VAL 26 4.844 -7.394 -1.641
201 HG22 VAL 26 HG22 VAL 26 3.579 -7.596 -0.414
202 HG23 VAL 26 HG23 VAL 26 3.556 -8.567 -1.899
203 H TYR 27 H TYR 27 -0.313 -5.114 -0.746
204 HA TYR 27 HA TYR 27 -0.817 -3.602 -3.222
205 HB2 TYR 27 HB2 TYR 27 -3.136 -3.827 -3.233
206 HB3 TYR 27 HB3 TYR 27 -2.520 -5.445 -3.201
207 HD1 TYR 27 HD1 TYR 27 -2.310 -6.466 -0.676
208 HD2 TYR 27 HD2 TYR 27 -4.999 -3.331 -1.872
209 HE1 TYR 27 HE1 TYR 27 -3.766 -7.007 1.220
210 HE2 TYR 27 HE2 TYR 27 -6.431 -3.832 0.103
211 HH TYR 27 HH TYR 27 -5.438 -6.041 2.629
212 H TYR 28 H TYR 28 -2.727 -1.990 -2.480
213 HA TYR 28 HA TYR 28 -1.695 -0.540 -0.096
214 HB2 TYR 28 HB2 TYR 28 -2.814 0.692 -2.633
215 HB3 TYR 28 HB3 TYR 28 -1.996 1.491 -1.311
216 HD1 TYR 28 HD2 TYR 28 0.484 0.846 -0.869
217 HD2 TYR 28 HD1 TYR 28 -1.590 -0.201 -4.486
218 HE1 TYR 28 HE2 TYR 28 2.666 0.429 -2.003
219 HE2 TYR 28 HE1 TYR 28 0.551 -0.861 -5.537
220 HH TYR 28 HH TYR 28 2.838 -0.892 -5.345
221 H PHE 29 H PHE 29 -3.280 0.264 1.304
222 HA PHE 29 HA PHE 29 -6.128 -0.088 0.600
223 HB2 PHE 29 HB2 PHE 29 -5.710 -2.068 1.836
224 HB3 PHE 29 HB3 PHE 29 -4.577 -1.238 2.901
225 HD1 PHE 29 HD2 PHE 29 -8.223 -0.298 2.156
226 HD2 PHE 29 HD1 PHE 29 -5.274 -1.616 5.046
227 HE1 PHE 29 HE2 PHE 29 -9.855 -0.059 3.956
228 HE2 PHE 29 HE1 PHE 29 -6.955 -1.373 6.847
229 HZ PHE 29 HZ PHE 29 -9.255 -0.614 6.312
230 H ASN 30 H ASN 30 -7.246 1.652 0.951
231 HA ASN 30 HA ASN 30 -6.200 3.799 2.695
232 HB2 ASN 30 HB2 ASN 30 -6.971 4.170 0.249
233 HB3 ASN 30 HB3 ASN 30 -8.559 3.995 0.834
234 HD21 ASN 30 HD21 ASN 30 -6.352 6.494 0.503
235 HD22 ASN 30 HD22 ASN 30 -7.116 7.603 1.632
236 H HIS 31 H HIS 31 -6.821 3.468 4.773
237 HA HIS 31 HA HIS 31 -9.387 2.134 5.306
238 HB2 HIS 31 HB2 HIS 31 -8.684 2.072 7.577
239 HB3 HIS 31 HB3 HIS 31 -7.361 1.546 6.558
240 HD1 HIS 31 HD1 HIS 31 -8.245 4.206 9.082
241 HD2 HIS 31 HD2 HIS 31 -5.200 3.266 6.303
242 HE1 HIS 31 HE1 HIS 31 -6.239 5.612 9.690
243 H ILE 32 H ILE 32 -8.461 5.382 4.723
244 HA ILE 32 HA ILE 32 -10.330 6.660 6.575
245 HB ILE 32 HB ILE 32 -8.177 7.399 4.640
246 HG12 ILE 32 HG12 ILE 32 -7.607 9.041 6.300
247 HG13 ILE 32 HG13 ILE 32 -9.137 8.809 7.153
248 HG21 ILE 32 HG21 ILE 32 -8.818 9.744 4.392
249 HG22 ILE 32 HG22 ILE 32 -9.895 8.674 3.506
250 HG23 ILE 32 HG23 ILE 32 -10.417 9.387 5.074
251 HD11 ILE 32 HD11 ILE 32 -7.020 7.676 8.090
252 HD12 ILE 32 HD12 ILE 32 -8.481 6.678 7.963
253 HD13 ILE 32 HD13 ILE 32 -7.188 6.512 6.764
254 H THR 33 H THR 33 -10.320 5.512 3.258
255 HA THR 33 HA THR 33 -13.162 6.334 2.994
256 HB THR 33 HB THR 33 -11.528 7.781 1.796
257 HG1 THR 33 HG1 THR 33 -12.717 7.716 -0.181
258 HG21 THR 33 HG21 THR 33 -11.190 6.025 -0.492
259 HG22 THR 33 HG22 THR 33 -10.323 5.461 0.964
260 HG23 THR 33 HG23 THR 33 -10.038 7.084 0.349
261 H ASN 34 H ASN 34 -11.194 3.692 3.366
262 HA ASN 34 HA ASN 34 -11.409 1.485 2.977
263 HB2 ASN 34 HB2 ASN 34 -13.510 1.901 4.058
264 HB3 ASN 34 HB3 ASN 34 -14.315 2.217 2.538
265 HD21 ASN 34 HD21 ASN 34 -12.564 -0.485 4.246
266 HD22 ASN 34 HD22 ASN 34 -13.425 -1.719 3.365
267 H ALA 35 H ALA 35 -10.298 2.883 0.983
268 HA ALA 35 HA ALA 35 -11.256 1.565 -1.526
269 HB1 ALA 35 HB1 ALA 35 -11.575 3.988 -1.453
270 HB2 ALA 35 HB2 ALA 35 -9.826 4.215 -1.173
271 HB3 ALA 35 HB3 ALA 35 -10.392 3.503 -2.700
272 H SER 36 H SER 36 -9.953 -0.019 -1.921
273 HA SER 36 HA SER 36 -7.015 0.211 -1.547
274 HB2 SER 36 HB2 SER 36 -6.901 -2.039 -0.724
275 HB3 SER 36 HB3 SER 36 -7.943 -1.064 0.309
276 HG SER 36 HG SER 36 -9.764 -2.048 -0.798
277 H GLN 37 H GLN 37 -5.771 -0.348 -3.286
278 HA GLN 37 HA GLN 37 -6.506 -2.460 -5.032
279 HB2 GLN 37 HB2 GLN 37 -6.605 -1.110 -7.107
280 HB3 GLN 37 HB3 GLN 37 -8.003 -0.945 -6.057
281 HG2 GLN 37 HG2 GLN 37 -7.219 1.271 -5.296
282 HG3 GLN 37 HG3 GLN 37 -5.792 1.120 -6.331
283 HE21 GLN 37 HE21 GLN 37 -9.430 1.419 -6.381
284 HE22 GLN 37 HE22 GLN 37 -9.486 1.911 -8.046
285 H TRP 38 H TRP 38 -4.769 -2.893 -6.534
286 HA TRP 38 HA TRP 38 -2.152 -2.430 -5.467
287 HB2 TRP 38 HB2 TRP 38 -1.544 -3.566 -7.679
288 HB3 TRP 38 HB3 TRP 38 -2.523 -4.471 -6.539
289 HD1 TRP 38 HD1 TRP 38 -3.734 -1.944 -9.257
290 HE1 TRP 38 HE1 TRP 38 -5.733 -2.893 -10.417
291 HE3 TRP 38 HE3 TRP 38 -3.590 -6.655 -7.283
292 HZ2 TRP 38 HZ2 TRP 38 -7.232 -5.395 -10.423
293 HZ3 TRP 38 HZ3 TRP 38 -5.312 -8.338 -7.951
294 HH2 TRP 38 HH2 TRP 38 -7.167 -7.677 -9.453
295 H GLU 39 H GLU 39 -4.067 -0.338 -7.364
296 HA GLU 39 HA GLU 39 -1.839 0.742 -8.940
297 HB2 GLU 39 HB2 GLU 39 -4.135 0.486 -9.888
298 HB3 GLU 39 HB3 GLU 39 -4.678 1.743 -8.759
299 HG2 GLU 39 HG2 GLU 39 -2.975 3.304 -9.738
300 HG3 GLU 39 HG3 GLU 39 -2.528 2.049 -10.905
301 H ARG 40 H ARG 40 -0.423 1.871 -7.656
302 HA ARG 40 HA ARG 40 -0.864 2.857 -5.153
303 HB2 ARG 40 HB2 ARG 40 1.034 3.661 -7.351
304 HB3 ARG 40 HB3 ARG 40 1.096 4.476 -5.783
305 HG2 ARG 40 HG2 ARG 40 1.580 2.470 -4.599
306 HG3 ARG 40 HG3 ARG 40 1.151 1.462 -5.996
307 HD2 ARG 40 HD2 ARG 40 3.491 3.358 -5.971
308 HD3 ARG 40 HD3 ARG 40 3.584 1.620 -5.611
309 HE ARG 40 HE ARG 40 2.232 1.719 -7.993
310 HH11 ARG 40 HH11 ARG 40 5.447 2.740 -6.891
311 HH12 ARG 40 HH12 ARG 40 6.128 2.866 -8.471
312 HH21 ARG 40 HH21 ARG 40 3.030 2.011 -10.067
313 HH22 ARG 40 HH22 ARG 40 4.724 2.216 -10.372
314 HA PRO 41 HA PRO 41 -3.270 6.580 -5.641
315 HB2 PRO 41 HB2 PRO 41 -3.055 7.589 -3.128
316 HB3 PRO 41 HB3 PRO 41 -3.862 6.040 -3.478
317 HG2 PRO 41 HG2 PRO 41 -0.930 6.382 -2.641
318 HG3 PRO 41 HG3 PRO 41 -2.208 5.421 -1.804
319 HD2 PRO 41 HD2 PRO 41 -0.510 4.351 -3.598
320 HD3 PRO 41 HD3 PRO 41 -2.235 3.859 -3.578
321 H SER 42 H SER 42 -3.001 9.036 -4.905
322 HA SER 42 HA SER 42 -0.306 10.122 -5.080
323 HB2 SER 42 HB2 SER 42 -2.434 10.599 -7.223
324 HB3 SER 42 HB3 SER 42 -0.950 11.543 -7.034
325 HG SER 42 HG SER 42 -0.647 10.068 -8.598
326 H GLY 43 H GLY 43 -1.194 10.618 -2.864
327 HA2 GLY 43 HA2 GLY 43 -3.071 12.943 -2.857
328 HA3 GLY 43 HA3 GLY 43 -2.896 11.781 -1.535
Start of MODEL 3
1 H1 GLY 1 H GLY 1 19.108 -5.114 0.087
2 HA2 GLY 1 HA2 GLY 1 17.017 -6.807 -1.150
3 HA3 GLY 1 HA3 GLY 1 17.453 -6.828 0.570
4 H LEU 2 H LEU 2 15.704 -6.015 1.603
5 HA LEU 2 HA LEU 2 13.688 -4.426 0.782
6 HB2 LEU 2 HB2 LEU 2 13.732 -5.576 2.906
7 HB3 LEU 2 HB3 LEU 2 15.012 -4.524 3.510
8 HG LEU 2 HG LEU 2 13.493 -2.589 3.523
9 HD11 LEU 2 HD11 LEU 2 11.356 -4.535 2.542
10 HD12 LEU 2 HD12 LEU 2 11.974 -3.100 1.667
11 HD13 LEU 2 HD13 LEU 2 11.053 -2.901 3.142
12 HD21 LEU 2 HD21 LEU 2 13.624 -4.014 5.507
13 HD22 LEU 2 HD22 LEU 2 12.322 -5.055 4.874
14 HD23 LEU 2 HD23 LEU 2 11.988 -3.362 5.297
15 H GLU 3 H GLU 3 16.648 -3.033 2.285
16 HA GLU 3 HA GLU 3 15.850 -0.368 2.290
17 HB2 GLU 3 HB2 GLU 3 17.744 -1.408 3.461
18 HB3 GLU 3 HB3 GLU 3 18.630 -1.531 1.937
19 HG2 GLU 3 HG2 GLU 3 18.722 0.938 1.809
20 HG3 GLU 3 HG3 GLU 3 17.716 1.057 3.258
21 H HIS 4 H HIS 4 16.313 -2.157 -0.600
22 HA HIS 4 HA HIS 4 17.281 0.155 -2.145
23 HB2 HIS 4 HB2 HIS 4 16.312 -2.556 -3.093
24 HB3 HIS 4 HB3 HIS 4 17.138 -1.341 -4.066
25 HD1 HIS 4 HD1 HIS 4 19.328 -0.914 -1.424
26 HD2 HIS 4 HD2 HIS 4 18.320 -4.278 -3.742
27 HE1 HIS 4 HE1 HIS 4 21.230 -2.555 -1.130
28 H MET 5 H MET 5 14.209 -1.008 -0.968
29 HA MET 5 HA MET 5 12.876 1.074 -2.534
30 HB2 MET 5 HB2 MET 5 12.658 -0.701 -4.045
31 HB3 MET 5 HB3 MET 5 12.172 -1.862 -2.807
32 HG2 MET 5 HG2 MET 5 10.532 0.632 -3.299
33 HG3 MET 5 HG3 MET 5 10.469 -0.666 -4.490
34 HE1 MET 5 HE1 MET 5 10.552 -3.308 -3.276
35 HE2 MET 5 HE2 MET 5 8.938 -3.666 -2.648
36 HE3 MET 5 HE3 MET 5 9.111 -2.893 -4.235
37 H ALA 6 H ALA 6 12.259 2.197 -0.958
38 HA ALA 6 HA ALA 6 10.747 1.058 1.356
39 HB1 ALA 6 HB1 ALA 6 12.503 3.559 1.152
40 HB2 ALA 6 HB2 ALA 6 11.502 3.115 2.546
41 HB3 ALA 6 HB3 ALA 6 12.867 2.081 2.072
42 H ASP 7 H ASP 7 9.006 1.042 -0.219
43 HA ASP 7 HA ASP 7 8.021 3.716 -1.134
44 HB2 ASP 7 HB2 ASP 7 6.984 2.730 -2.863
45 HB3 ASP 7 HB3 ASP 7 8.339 1.672 -2.672
46 H GLU 8 H GLU 8 7.381 1.276 1.145
47 HA GLU 8 HA GLU 8 4.684 1.668 1.850
48 HB2 GLU 8 HB2 GLU 8 5.489 0.651 4.060
49 HB3 GLU 8 HB3 GLU 8 5.657 -0.304 2.614
50 HG2 GLU 8 HG2 GLU 8 8.026 1.388 3.384
51 HG3 GLU 8 HG3 GLU 8 7.619 0.028 4.422
52 H GLU 9 H GLU 9 7.253 3.836 2.314
53 HA GLU 9 HA GLU 9 5.810 5.250 4.495
54 HB2 GLU 9 HB2 GLU 9 8.100 6.284 4.898
55 HB3 GLU 9 HB3 GLU 9 8.016 4.551 5.173
56 HG2 GLU 9 HG2 GLU 9 9.490 4.058 3.527
57 HG3 GLU 9 HG3 GLU 9 8.744 5.156 2.377
58 H LYS 10 H LYS 10 5.548 5.456 1.373
59 HA LYS 10 HA LYS 10 5.783 8.457 1.334
60 HB2 LYS 10 HB2 LYS 10 6.111 6.487 -0.928
61 HB3 LYS 10 HB3 LYS 10 6.209 8.228 -1.127
62 HG2 LYS 10 HG2 LYS 10 8.151 6.642 0.623
63 HG3 LYS 10 HG3 LYS 10 8.384 6.958 -1.080
64 HD2 LYS 10 HD2 LYS 10 9.687 8.539 0.051
65 HD3 LYS 10 HD3 LYS 10 8.322 9.421 -0.638
66 HE2 LYS 10 HE2 LYS 10 7.258 9.596 1.538
67 HE3 LYS 10 HE3 LYS 10 8.424 8.471 2.262
68 HZ1 LYS 10 HZ1 LYS 10 8.753 10.933 2.625
69 HZ2 LYS 10 HZ2 LYS 10 9.267 11.026 1.077
70 HZ3 LYS 10 HZ3 LYS 10 10.072 10.061 2.172
71 H LEU 11 H LEU 11 3.224 6.127 1.255
72 HA LEU 11 HA LEU 11 1.645 7.445 -0.713
73 HB2 LEU 11 HB2 LEU 11 1.277 5.428 1.507
74 HB3 LEU 11 HB3 LEU 11 -0.133 6.174 0.865
75 HG LEU 11 HG LEU 11 0.768 5.630 -1.472
76 HD11 LEU 11 HD11 LEU 11 2.107 3.790 -1.876
77 HD12 LEU 11 HD12 LEU 11 2.330 3.438 -0.153
78 HD13 LEU 11 HD13 LEU 11 3.050 4.902 -0.881
79 HD21 LEU 11 HD21 LEU 11 -0.345 3.496 -1.477
80 HD22 LEU 11 HD22 LEU 11 -1.159 4.525 -0.325
81 HD23 LEU 11 HD23 LEU 11 -0.068 3.288 0.281
82 HA PRO 12 HA PRO 12 -0.090 10.835 1.494
83 HB2 PRO 12 HB2 PRO 12 -2.697 10.919 0.539
84 HB3 PRO 12 HB3 PRO 12 -1.251 11.225 -0.477
85 HG2 PRO 12 HG2 PRO 12 -2.850 8.711 -0.107
86 HG3 PRO 12 HG3 PRO 12 -2.382 9.482 -1.653
87 HD2 PRO 12 HD2 PRO 12 -1.025 7.432 -0.506
88 HD3 PRO 12 HD3 PRO 12 -0.183 8.698 -1.451
89 HA PRO 13 HA PRO 13 -2.032 9.444 5.201
90 HB2 PRO 13 HB2 PRO 13 -3.822 11.444 5.900
91 HB3 PRO 13 HB3 PRO 13 -2.047 11.562 6.086
92 HG2 PRO 13 HG2 PRO 13 -3.758 12.609 3.823
93 HG3 PRO 13 HG3 PRO 13 -2.450 13.460 4.708
94 HD2 PRO 13 HD2 PRO 13 -2.005 12.305 2.304
95 HD3 PRO 13 HD3 PRO 13 -0.772 12.197 3.594
96 H GLY 14 H GLY 14 -3.647 8.069 5.739
97 HA2 GLY 14 HA2 GLY 14 -5.883 7.388 5.862
98 HA3 GLY 14 HA3 GLY 14 -6.220 8.023 4.242
99 H TRP 15 H TRP 15 -3.528 6.903 3.329
100 HA TRP 15 HA TRP 15 -4.531 4.189 2.700
101 HB2 TRP 15 HB2 TRP 15 -2.273 5.847 1.585
102 HB3 TRP 15 HB3 TRP 15 -2.572 4.159 1.180
103 HD1 TRP 15 HD1 TRP 15 -4.326 7.578 0.847
104 HE1 TRP 15 HE1 TRP 15 -5.647 7.602 -1.359
105 HE3 TRP 15 HE3 TRP 15 -3.913 2.661 -0.363
106 HZ2 TRP 15 HZ2 TRP 15 -6.539 5.654 -3.323
107 HZ3 TRP 15 HZ3 TRP 15 -5.047 1.739 -2.387
108 HH2 TRP 15 HH2 TRP 15 -6.368 3.253 -3.860
109 H GLU 16 H GLU 16 -3.131 2.399 2.667
110 HA GLU 16 HA GLU 16 -0.865 2.363 4.584
111 HB2 GLU 16 HB2 GLU 16 -3.506 0.918 4.860
112 HB3 GLU 16 HB3 GLU 16 -2.048 0.133 5.435
113 HG2 GLU 16 HG2 GLU 16 -2.676 2.935 6.358
114 HG3 GLU 16 HG3 GLU 16 -3.469 1.546 7.092
115 H LYS 17 H LYS 17 0.718 1.127 3.808
116 HA LYS 17 HA LYS 17 0.278 -0.534 1.410
117 HB2 LYS 17 HB2 LYS 17 2.156 1.147 1.775
118 HB3 LYS 17 HB3 LYS 17 2.906 -0.031 2.862
119 HG2 LYS 17 HG2 LYS 17 2.128 -0.511 -0.040
120 HG3 LYS 17 HG3 LYS 17 3.719 0.021 0.472
121 HD2 LYS 17 HD2 LYS 17 2.980 -2.442 1.862
122 HD3 LYS 17 HD3 LYS 17 2.678 -2.608 0.139
123 HE2 LYS 17 HE2 LYS 17 5.276 -1.788 1.504
124 HE3 LYS 17 HE3 LYS 17 4.945 -3.359 0.785
125 HZ1 LYS 17 HZ1 LYS 17 6.261 -2.071 -0.675
126 HZ2 LYS 17 HZ2 LYS 17 5.243 -0.790 -0.679
127 HZ3 LYS 17 HZ3 LYS 17 4.769 -2.168 -1.391
128 H ARG 18 H ARG 18 -0.554 -2.465 1.847
129 HA ARG 18 HA ARG 18 0.684 -4.126 3.964
130 HB2 ARG 18 HB2 ARG 18 -2.306 -4.254 3.452
131 HB3 ARG 18 HB3 ARG 18 -1.360 -4.952 4.754
132 HG2 ARG 18 HG2 ARG 18 -0.783 -2.462 5.373
133 HG3 ARG 18 HG3 ARG 18 -2.180 -2.065 4.366
134 HD2 ARG 18 HD2 ARG 18 -3.632 -3.453 5.751
135 HD3 ARG 18 HD3 ARG 18 -2.231 -4.054 6.666
136 HE ARG 18 HE ARG 18 -2.468 -1.167 6.702
137 HH11 ARG 18 HH11 ARG 18 -3.709 -4.101 8.291
138 HH12 ARG 18 HH12 ARG 18 -3.855 -3.290 9.838
139 HH21 ARG 18 HH21 ARG 18 -2.572 -0.215 8.806
140 HH22 ARG 18 HH22 ARG 18 -3.266 -1.096 10.110
141 H MET 19 H MET 19 -0.555 -6.480 3.610
142 HA MET 19 HA MET 19 -0.096 -7.188 0.760
143 HB2 MET 19 HB2 MET 19 1.818 -7.639 2.337
144 HB3 MET 19 HB3 MET 19 0.772 -8.792 3.193
145 HG2 MET 19 HG2 MET 19 0.482 -9.963 0.977
146 HG3 MET 19 HG3 MET 19 1.688 -8.870 0.293
147 HE1 MET 19 HE1 MET 19 4.935 -9.861 2.344
148 HE2 MET 19 HE2 MET 19 4.199 -8.685 1.247
149 HE3 MET 19 HE3 MET 19 3.746 -8.699 2.967
150 H SER 20 H SER 20 -1.523 -8.724 -0.055
151 HA SER 20 HA SER 20 -4.053 -9.005 1.326
152 HB2 SER 20 HB2 SER 20 -3.697 -8.718 -1.232
153 HB3 SER 20 HB3 SER 20 -3.259 -10.439 -1.236
154 HG SER 20 HG SER 20 -5.490 -10.253 -1.569
155 H ARG 21 H ARG 21 -4.342 -10.516 2.813
156 HA ARG 21 HA ARG 21 -2.440 -12.500 3.483
157 HB2 ARG 21 HB2 ARG 21 -4.274 -11.255 4.857
158 HB3 ARG 21 HB3 ARG 21 -5.357 -12.547 4.331
159 HG2 ARG 21 HG2 ARG 21 -3.841 -14.218 5.396
160 HG3 ARG 21 HG3 ARG 21 -2.727 -12.937 5.847
161 HD2 ARG 21 HD2 ARG 21 -5.611 -13.134 6.788
162 HD3 ARG 21 HD3 ARG 21 -4.188 -13.672 7.699
163 HE ARG 21 HE ARG 21 -3.758 -10.973 6.963
164 HH11 ARG 21 HH11 ARG 21 -5.873 -12.824 9.110
165 HH12 ARG 21 HH12 ARG 21 -6.181 -11.491 10.177
166 HH21 ARG 21 HH21 ARG 21 -3.995 -9.310 8.381
167 HH22 ARG 21 HH22 ARG 21 -4.974 -9.470 9.838
168 H SER 22 H SER 22 -4.761 -12.650 0.913
169 HA SER 22 HA SER 22 -5.492 -15.379 1.063
170 HB2 SER 22 HB2 SER 22 -6.024 -14.970 -1.363
171 HB3 SER 22 HB3 SER 22 -6.740 -13.783 -0.263
172 HG SER 22 HG SER 22 -5.582 -13.046 -2.237
173 H SER 23 H SER 23 -3.121 -13.796 -1.050
174 HA SER 23 HA SER 23 -1.459 -16.299 -1.066
175 HB2 SER 23 HB2 SER 23 -2.182 -14.497 -3.404
176 HB3 SER 23 HB3 SER 23 -0.975 -15.799 -3.465
177 HG SER 23 HG SER 23 -3.371 -16.193 -4.035
178 H GLY 24 H GLY 24 -1.334 -12.935 -0.278
179 HA2 GLY 24 HA2 GLY 24 0.573 -12.023 0.674
180 HA3 GLY 24 HA3 GLY 24 1.621 -13.126 -0.206
181 H ARG 25 H ARG 25 -1.017 -11.059 -1.546
182 HA ARG 25 HA ARG 25 0.913 -9.993 -3.539
183 HB2 ARG 25 HB2 ARG 25 -2.050 -10.399 -3.341
184 HB3 ARG 25 HB3 ARG 25 -1.554 -8.902 -4.091
185 HG2 ARG 25 HG2 ARG 25 -1.897 -10.776 -5.684
186 HG3 ARG 25 HG3 ARG 25 -0.302 -10.026 -5.802
187 HD2 ARG 25 HD2 ARG 25 0.759 -11.880 -4.739
188 HD3 ARG 25 HD3 ARG 25 -0.771 -12.528 -4.161
189 HE ARG 25 HE ARG 25 -0.797 -12.371 -7.022
190 HH11 ARG 25 HH11 ARG 25 1.121 -14.193 -4.618
191 HH12 ARG 25 HH12 ARG 25 1.198 -15.597 -5.604
192 HH21 ARG 25 HH21 ARG 25 -0.545 -14.269 -8.350
193 HH22 ARG 25 HH22 ARG 25 0.414 -15.551 -7.790
194 H VAL 26 H VAL 26 1.904 -8.109 -3.164
195 HA VAL 26 HA VAL 26 1.259 -6.506 -0.830
196 HB VAL 26 HB VAL 26 3.202 -5.985 -3.123
197 HG11 VAL 26 HG11 VAL 26 2.722 -4.012 -1.700
198 HG12 VAL 26 HG12 VAL 26 3.156 -4.948 -0.253
199 HG13 VAL 26 HG13 VAL 26 4.381 -4.583 -1.494
200 HG21 VAL 26 HG21 VAL 26 4.923 -6.934 -1.617
201 HG22 VAL 26 HG22 VAL 26 3.667 -7.369 -0.442
202 HG23 VAL 26 HG23 VAL 26 3.736 -8.167 -2.030
203 H TYR 27 H TYR 27 -0.067 -4.638 -0.772
204 HA TYR 27 HA TYR 27 -0.615 -3.157 -3.204
205 HB2 TYR 27 HB2 TYR 27 -2.932 -3.522 -3.392
206 HB3 TYR 27 HB3 TYR 27 -2.232 -5.120 -3.339
207 HD1 TYR 27 HD1 TYR 27 -2.138 -6.237 -0.911
208 HD2 TYR 27 HD2 TYR 27 -4.779 -3.031 -2.023
209 HE1 TYR 27 HE1 TYR 27 -3.625 -6.790 1.001
210 HE2 TYR 27 HE2 TYR 27 -6.240 -3.575 -0.074
211 HH TYR 27 HH TYR 27 -6.555 -4.910 1.770
212 H TYR 28 H TYR 28 -2.272 -1.340 -2.683
213 HA TYR 28 HA TYR 28 -1.635 -0.249 -0.005
214 HB2 TYR 28 HB2 TYR 28 -2.654 1.180 -2.476
215 HB3 TYR 28 HB3 TYR 28 -1.953 1.874 -1.023
216 HD1 TYR 28 HD2 TYR 28 0.511 1.190 -0.450
217 HD2 TYR 28 HD1 TYR 28 -1.253 0.809 -4.365
218 HE1 TYR 28 HE2 TYR 28 2.754 1.254 -1.440
219 HE2 TYR 28 HE1 TYR 28 1.014 0.697 -5.367
220 HH TYR 28 HH TYR 28 3.885 1.477 -3.480
221 H PHE 29 H PHE 29 -3.338 0.423 1.368
222 HA PHE 29 HA PHE 29 -6.133 0.091 0.382
223 HB2 PHE 29 HB2 PHE 29 -5.631 -1.956 1.516
224 HB3 PHE 29 HB3 PHE 29 -4.851 -1.096 2.838
225 HD1 PHE 29 HD2 PHE 29 -8.220 -0.033 1.489
226 HD2 PHE 29 HD1 PHE 29 -6.059 -2.182 4.555
227 HE1 PHE 29 HE2 PHE 29 -10.212 -0.008 2.914
228 HE2 PHE 29 HE1 PHE 29 -8.088 -2.152 5.984
229 HZ PHE 29 HZ PHE 29 -10.154 -0.988 5.178
230 H ASN 30 H ASN 30 -7.136 1.902 0.574
231 HA ASN 30 HA ASN 30 -6.481 3.978 2.518
232 HB2 ASN 30 HB2 ASN 30 -7.093 4.246 -0.031
233 HB3 ASN 30 HB3 ASN 30 -8.712 4.035 0.499
234 HD21 ASN 30 HD21 ASN 30 -7.638 6.703 -0.420
235 HD22 ASN 30 HD22 ASN 30 -7.929 7.750 0.957
236 H HIS 31 H HIS 31 -7.173 3.251 4.484
237 HA HIS 31 HA HIS 31 -9.771 1.928 4.762
238 HB2 HIS 31 HB2 HIS 31 -9.213 1.775 7.110
239 HB3 HIS 31 HB3 HIS 31 -7.938 1.143 6.086
240 HD1 HIS 31 HD1 HIS 31 -8.641 4.000 8.515
241 HD2 HIS 31 HD2 HIS 31 -5.548 2.399 6.143
242 HE1 HIS 31 HE1 HIS 31 -6.472 5.092 9.313
243 H ILE 32 H ILE 32 -8.862 5.191 4.431
244 HA ILE 32 HA ILE 32 -10.908 6.280 6.235
245 HB ILE 32 HB ILE 32 -8.661 7.292 4.544
246 HG12 ILE 32 HG12 ILE 32 -8.274 8.791 6.398
247 HG13 ILE 32 HG13 ILE 32 -9.792 8.314 7.168
248 HG21 ILE 32 HG21 ILE 32 -10.349 8.578 3.444
249 HG22 ILE 32 HG22 ILE 32 -11.059 9.071 5.018
250 HG23 ILE 32 HG23 ILE 32 -9.460 9.630 4.542
251 HD11 ILE 32 HD11 ILE 32 -7.549 6.340 6.558
252 HD12 ILE 32 HD12 ILE 32 -7.670 7.239 8.085
253 HD13 ILE 32 HD13 ILE 32 -8.955 6.113 7.622
254 H THR 33 H THR 33 -10.594 5.439 2.817
255 HA THR 33 HA THR 33 -13.443 6.245 2.416
256 HB THR 33 HB THR 33 -11.722 7.774 1.398
257 HG1 THR 33 HG1 THR 33 -13.658 8.033 0.476
258 HG21 THR 33 HG21 THR 33 -10.449 7.163 -0.431
259 HG22 THR 33 HG22 THR 33 -11.398 5.680 -0.735
260 HG23 THR 33 HG23 THR 33 -10.313 5.779 0.656
261 H ASN 34 H ASN 34 -11.504 3.568 2.672
262 HA ASN 34 HA ASN 34 -11.790 1.419 2.216
263 HB2 ASN 34 HB2 ASN 34 -14.172 2.116 2.782
264 HB3 ASN 34 HB3 ASN 34 -14.535 1.960 1.068
265 HD21 ASN 34 HD21 ASN 34 -15.080 -0.134 0.331
266 HD22 ASN 34 HD22 ASN 34 -14.870 -1.579 1.297
267 H ALA 35 H ALA 35 -10.404 2.941 0.358
268 HA ALA 35 HA ALA 35 -11.025 1.629 -2.267
269 HB1 ALA 35 HB1 ALA 35 -9.793 3.501 -3.276
270 HB2 ALA 35 HB2 ALA 35 -11.210 4.046 -2.340
271 HB3 ALA 35 HB3 ALA 35 -9.570 4.234 -1.673
272 H SER 36 H SER 36 -9.632 0.041 -2.677
273 HA SER 36 HA SER 36 -6.834 0.099 -1.675
274 HB2 SER 36 HB2 SER 36 -7.133 -2.404 -1.394
275 HB3 SER 36 HB3 SER 36 -7.934 -1.407 -0.166
276 HG SER 36 HG SER 36 -9.261 -2.302 -2.499
277 H GLN 37 H GLN 37 -5.251 -0.458 -3.216
278 HA GLN 37 HA GLN 37 -5.718 -2.396 -5.226
279 HB2 GLN 37 HB2 GLN 37 -5.378 -0.688 -7.115
280 HB3 GLN 37 HB3 GLN 37 -6.989 -0.807 -6.423
281 HG2 GLN 37 HG2 GLN 37 -6.567 1.235 -5.077
282 HG3 GLN 37 HG3 GLN 37 -4.942 1.341 -5.750
283 HE21 GLN 37 HE21 GLN 37 -6.439 0.449 -8.562
284 HE22 GLN 37 HE22 GLN 37 -6.800 2.089 -9.055
285 H TRP 38 H TRP 38 -3.863 -2.371 -6.793
286 HA TRP 38 HA TRP 38 -1.285 -2.028 -5.427
287 HB2 TRP 38 HB2 TRP 38 -0.541 -2.877 -7.717
288 HB3 TRP 38 HB3 TRP 38 -1.522 -3.982 -6.757
289 HD1 TRP 38 HD1 TRP 38 -2.295 -1.313 -9.537
290 HE1 TRP 38 HE1 TRP 38 -4.170 -2.174 -11.003
291 HE3 TRP 38 HE3 TRP 38 -3.064 -5.815 -7.272
292 HZ2 TRP 38 HZ2 TRP 38 -5.633 -4.669 -11.362
293 HZ3 TRP 38 HZ3 TRP 38 -4.629 -7.480 -8.275
294 HH2 TRP 38 HH2 TRP 38 -5.875 -6.896 -10.379
295 H GLU 39 H GLU 39 -3.330 -0.014 -7.172
296 HA GLU 39 HA GLU 39 -1.433 1.382 -8.855
297 HB2 GLU 39 HB2 GLU 39 -3.962 0.915 -9.199
298 HB3 GLU 39 HB3 GLU 39 -4.197 2.289 -8.100
299 HG2 GLU 39 HG2 GLU 39 -3.230 3.815 -9.629
300 HG3 GLU 39 HG3 GLU 39 -2.468 2.520 -10.564
301 H ARG 40 H ARG 40 -0.042 2.660 -7.972
302 HA ARG 40 HA ARG 40 0.099 3.499 -5.272
303 HB2 ARG 40 HB2 ARG 40 1.365 4.591 -7.812
304 HB3 ARG 40 HB3 ARG 40 1.778 5.203 -6.202
305 HG2 ARG 40 HG2 ARG 40 2.761 3.200 -5.523
306 HG3 ARG 40 HG3 ARG 40 1.924 2.243 -6.747
307 HD2 ARG 40 HD2 ARG 40 3.272 3.317 -8.539
308 HD3 ARG 40 HD3 ARG 40 4.127 4.259 -7.308
309 HE ARG 40 HE ARG 40 5.305 2.427 -6.630
310 HH11 ARG 40 HH11 ARG 40 3.036 1.255 -9.156
311 HH12 ARG 40 HH12 ARG 40 3.112 -0.388 -8.570
312 HH21 ARG 40 HH21 ARG 40 5.779 0.183 -6.341
313 HH22 ARG 40 HH22 ARG 40 4.799 -1.004 -7.120
314 HA PRO 41 HA PRO 41 -3.030 6.717 -5.640
315 HB2 PRO 41 HB2 PRO 41 -2.972 7.727 -3.087
316 HB3 PRO 41 HB3 PRO 41 -3.695 6.158 -3.543
317 HG2 PRO 41 HG2 PRO 41 -0.905 6.644 -2.443
318 HG3 PRO 41 HG3 PRO 41 -2.166 5.505 -1.856
319 HD2 PRO 41 HD2 PRO 41 -0.101 4.827 -3.560
320 HD3 PRO 41 HD3 PRO 41 -1.700 4.043 -3.713
321 H SER 42 H SER 42 -3.043 9.265 -4.768
322 HA SER 42 HA SER 42 -0.430 10.525 -5.081
323 HB2 SER 42 HB2 SER 42 -2.607 10.881 -7.212
324 HB3 SER 42 HB3 SER 42 -1.027 11.676 -7.168
325 HG SER 42 HG SER 42 -0.515 9.120 -7.065
326 H GLY 43 H GLY 43 -1.465 10.928 -2.863
327 HA2 GLY 43 HA2 GLY 43 -3.493 13.121 -2.980
328 HA3 GLY 43 HA3 GLY 43 -3.184 12.079 -1.599
Start of MODEL 4
1 H1 GLY 1 H GLY 1 13.262 -13.113 2.810
2 HA2 GLY 1 HA2 GLY 1 15.306 -12.147 3.736
3 HA3 GLY 1 HA3 GLY 1 14.806 -11.293 2.262
4 H LEU 2 H LEU 2 14.609 -9.105 2.425
5 HA LEU 2 HA LEU 2 13.717 -7.812 4.889
6 HB2 LEU 2 HB2 LEU 2 16.399 -7.131 3.565
7 HB3 LEU 2 HB3 LEU 2 15.483 -6.059 4.612
8 HG LEU 2 HG LEU 2 15.599 -8.170 6.291
9 HD11 LEU 2 HD11 LEU 2 17.798 -9.235 6.192
10 HD12 LEU 2 HD12 LEU 2 18.219 -8.320 4.732
11 HD13 LEU 2 HD13 LEU 2 16.954 -9.549 4.673
12 HD21 LEU 2 HD21 LEU 2 17.530 -7.075 7.374
13 HD22 LEU 2 HD22 LEU 2 16.315 -5.907 6.848
14 HD23 LEU 2 HD23 LEU 2 17.809 -6.113 5.909
15 H GLU 3 H GLU 3 12.087 -6.538 4.106
16 HA GLU 3 HA GLU 3 12.129 -5.761 1.241
17 HB2 GLU 3 HB2 GLU 3 10.219 -7.079 2.650
18 HB3 GLU 3 HB3 GLU 3 9.727 -5.432 3.007
19 HG2 GLU 3 HG2 GLU 3 8.541 -5.746 1.093
20 HG3 GLU 3 HG3 GLU 3 10.016 -5.141 0.352
21 H HIS 4 H HIS 4 13.787 -4.553 3.271
22 HA HIS 4 HA HIS 4 12.810 -2.099 4.255
23 HB2 HIS 4 HB2 HIS 4 14.729 -3.653 5.078
24 HB3 HIS 4 HB3 HIS 4 15.732 -2.766 3.924
25 HD1 HIS 4 HD1 HIS 4 13.490 -2.131 7.022
26 HD2 HIS 4 HD2 HIS 4 16.504 -0.319 4.706
27 HE1 HIS 4 HE1 HIS 4 14.101 0.030 8.218
28 H MET 5 H MET 5 12.612 -2.360 1.217
29 HA MET 5 HA MET 5 14.237 0.026 0.395
30 HB2 MET 5 HB2 MET 5 13.054 -2.311 -1.131
31 HB3 MET 5 HB3 MET 5 13.632 -0.842 -1.940
32 HG2 MET 5 HG2 MET 5 15.834 -1.163 -1.353
33 HG3 MET 5 HG3 MET 5 15.467 -2.139 0.062
34 HE1 MET 5 HE1 MET 5 17.624 -3.660 -0.738
35 HE2 MET 5 HE2 MET 5 17.715 -4.342 -2.380
36 HE3 MET 5 HE3 MET 5 17.743 -2.583 -2.140
37 H ALA 6 H ALA 6 12.027 0.223 2.095
38 HA ALA 6 HA ALA 6 9.597 1.026 0.764
39 HB1 ALA 6 HB1 ALA 6 8.970 1.736 3.032
40 HB2 ALA 6 HB2 ALA 6 9.627 0.091 3.043
41 HB3 ALA 6 HB3 ALA 6 10.625 1.466 3.601
42 H ASP 7 H ASP 7 10.914 2.334 -0.736
43 HA ASP 7 HA ASP 7 11.259 5.167 0.187
44 HB2 ASP 7 HB2 ASP 7 13.220 5.123 -0.706
45 HB3 ASP 7 HB3 ASP 7 13.075 3.430 -1.157
46 H GLU 8 H GLU 8 9.489 3.078 -1.864
47 HA GLU 8 HA GLU 8 8.462 5.233 -3.602
48 HB2 GLU 8 HB2 GLU 8 7.535 3.402 -4.896
49 HB3 GLU 8 HB3 GLU 8 9.254 3.168 -4.605
50 HG2 GLU 8 HG2 GLU 8 8.382 1.038 -4.239
51 HG3 GLU 8 HG3 GLU 8 8.565 1.661 -2.604
52 H GLU 9 H GLU 9 7.791 3.904 -0.638
53 HA GLU 9 HA GLU 9 4.946 3.651 -0.633
54 HB2 GLU 9 HB2 GLU 9 5.231 3.614 1.849
55 HB3 GLU 9 HB3 GLU 9 6.322 2.515 1.020
56 HG2 GLU 9 HG2 GLU 9 8.205 3.771 1.456
57 HG3 GLU 9 HG3 GLU 9 7.348 5.299 1.596
58 H LYS 10 H LYS 10 5.869 6.179 -1.716
59 HA LYS 10 HA LYS 10 5.321 8.380 0.074
60 HB2 LYS 10 HB2 LYS 10 5.575 8.455 -2.950
61 HB3 LYS 10 HB3 LYS 10 5.735 9.809 -1.834
62 HG2 LYS 10 HG2 LYS 10 7.598 7.428 -2.138
63 HG3 LYS 10 HG3 LYS 10 7.927 9.099 -2.564
64 HD2 LYS 10 HD2 LYS 10 7.582 7.998 0.262
65 HD3 LYS 10 HD3 LYS 10 9.098 8.419 -0.505
66 HE2 LYS 10 HE2 LYS 10 6.837 10.381 0.100
67 HE3 LYS 10 HE3 LYS 10 8.290 10.150 1.079
68 HZ1 LYS 10 HZ1 LYS 10 8.688 11.975 -0.252
69 HZ2 LYS 10 HZ2 LYS 10 8.195 11.255 -1.662
70 HZ3 LYS 10 HZ3 LYS 10 9.586 10.776 -0.898
71 H LEU 11 H LEU 11 3.053 6.345 -0.441
72 HA LEU 11 HA LEU 11 1.045 7.552 -1.895
73 HB2 LEU 11 HB2 LEU 11 1.243 5.619 0.456
74 HB3 LEU 11 HB3 LEU 11 -0.304 6.250 0.001
75 HG LEU 11 HG LEU 11 0.388 5.589 -2.459
76 HD11 LEU 11 HD11 LEU 11 2.142 3.661 -0.899
77 HD12 LEU 11 HD12 LEU 11 2.722 4.943 -1.993
78 HD13 LEU 11 HD13 LEU 11 1.774 3.630 -2.639
79 HD21 LEU 11 HD21 LEU 11 -0.825 3.583 -2.178
80 HD22 LEU 11 HD22 LEU 11 -1.440 4.657 -0.964
81 HD23 LEU 11 HD23 LEU 11 -0.310 3.396 -0.469
82 HA PRO 12 HA PRO 12 -0.386 10.972 0.492
83 HB2 PRO 12 HB2 PRO 12 -3.116 10.896 -0.069
84 HB3 PRO 12 HB3 PRO 12 -1.846 11.221 -1.306
85 HG2 PRO 12 HG2 PRO 12 -3.170 8.607 -0.562
86 HG3 PRO 12 HG3 PRO 12 -3.106 9.347 -2.193
87 HD2 PRO 12 HD2 PRO 12 -1.351 7.491 -1.361
88 HD3 PRO 12 HD3 PRO 12 -0.796 8.861 -2.389
89 HA PRO 13 HA PRO 13 -1.648 9.690 4.492
90 HB2 PRO 13 HB2 PRO 13 -3.672 11.414 5.292
91 HB3 PRO 13 HB3 PRO 13 -1.936 11.830 5.270
92 HG2 PRO 13 HG2 PRO 13 -4.022 12.392 3.139
93 HG3 PRO 13 HG3 PRO 13 -2.824 13.525 3.836
94 HD2 PRO 13 HD2 PRO 13 -2.331 12.328 1.486
95 HD3 PRO 13 HD3 PRO 13 -1.020 12.431 2.695
96 H GLY 14 H GLY 14 -3.178 8.517 5.669
97 HA2 GLY 14 HA2 GLY 14 -5.061 7.306 6.087
98 HA3 GLY 14 HA3 GLY 14 -5.857 7.971 4.639
99 H TRP 15 H TRP 15 -3.284 7.040 3.040
100 HA TRP 15 HA TRP 15 -4.320 4.310 2.611
101 HB2 TRP 15 HB2 TRP 15 -2.322 5.993 1.118
102 HB3 TRP 15 HB3 TRP 15 -2.642 4.293 0.778
103 HD1 TRP 15 HD1 TRP 15 -4.525 7.653 0.735
104 HE1 TRP 15 HE1 TRP 15 -6.277 7.563 -1.138
105 HE3 TRP 15 HE3 TRP 15 -4.275 2.685 -0.381
106 HZ2 TRP 15 HZ2 TRP 15 -7.663 5.529 -2.652
107 HZ3 TRP 15 HZ3 TRP 15 -5.927 1.674 -1.927
108 HH2 TRP 15 HH2 TRP 15 -7.639 3.081 -3.046
109 H GLU 16 H GLU 16 -2.925 2.560 2.501
110 HA GLU 16 HA GLU 16 -0.385 2.619 4.080
111 HB2 GLU 16 HB2 GLU 16 -2.705 0.713 4.598
112 HB3 GLU 16 HB3 GLU 16 -1.067 0.567 5.240
113 HG2 GLU 16 HG2 GLU 16 -1.397 2.933 6.169
114 HG3 GLU 16 HG3 GLU 16 -3.100 2.723 5.874
115 H LYS 17 H LYS 17 1.171 1.687 2.875
116 HA LYS 17 HA LYS 17 0.443 -0.049 0.592
117 HB2 LYS 17 HB2 LYS 17 2.179 1.848 0.665
118 HB3 LYS 17 HB3 LYS 17 3.229 0.718 1.524
119 HG2 LYS 17 HG2 LYS 17 1.925 0.142 -1.129
120 HG3 LYS 17 HG3 LYS 17 3.506 0.941 -1.034
121 HD2 LYS 17 HD2 LYS 17 2.754 -1.874 -0.138
122 HD3 LYS 17 HD3 LYS 17 3.487 -1.455 -1.682
123 HE2 LYS 17 HE2 LYS 17 4.793 -0.536 0.864
124 HE3 LYS 17 HE3 LYS 17 5.023 -2.226 0.336
125 HZ1 LYS 17 HZ1 LYS 17 6.806 -0.789 -0.443
126 HZ2 LYS 17 HZ2 LYS 17 5.774 0.197 -1.206
127 HZ3 LYS 17 HZ3 LYS 17 5.975 -1.328 -1.742
128 H ARG 18 H ARG 18 -0.187 -1.995 1.348
129 HA ARG 18 HA ARG 18 1.679 -3.508 3.138
130 HB2 ARG 18 HB2 ARG 18 -1.352 -3.734 3.288
131 HB3 ARG 18 HB3 ARG 18 -0.146 -4.478 4.336
132 HG2 ARG 18 HG2 ARG 18 0.553 -1.869 4.650
133 HG3 ARG 18 HG3 ARG 18 -1.157 -1.662 4.293
134 HD2 ARG 18 HD2 ARG 18 -1.744 -3.105 6.196
135 HD3 ARG 18 HD3 ARG 18 -0.043 -3.471 6.487
136 HE ARG 18 HE ARG 18 -1.460 -0.998 7.154
137 HH11 ARG 18 HH11 ARG 18 1.799 -2.470 6.752
138 HH12 ARG 18 HH12 ARG 18 2.598 -0.988 7.252
139 HH21 ARG 18 HH21 ARG 18 -0.235 0.845 8.100
140 HH22 ARG 18 HH22 ARG 18 1.491 0.740 8.042
141 H MET 19 H MET 19 0.618 -5.977 3.119
142 HA MET 19 HA MET 19 0.515 -6.740 0.255
143 HB2 MET 19 HB2 MET 19 2.768 -7.000 1.356
144 HB3 MET 19 HB3 MET 19 2.023 -8.223 2.422
145 HG2 MET 19 HG2 MET 19 1.310 -9.441 0.345
146 HG3 MET 19 HG3 MET 19 2.259 -8.295 -0.600
147 HE1 MET 19 HE1 MET 19 5.922 -9.038 0.674
148 HE2 MET 19 HE2 MET 19 4.886 -7.934 -0.225
149 HE3 MET 19 HE3 MET 19 4.806 -7.957 1.549
150 H SER 20 H SER 20 -0.916 -8.383 -0.209
151 HA SER 20 HA SER 20 -3.046 -8.819 1.696
152 HB2 SER 20 HB2 SER 20 -3.274 -8.568 -0.843
153 HB3 SER 20 HB3 SER 20 -2.649 -10.214 -0.985
154 HG SER 20 HG SER 20 -4.985 -10.087 -0.840
155 H ARG 21 H ARG 21 -2.967 -10.294 3.230
156 HA ARG 21 HA ARG 21 -0.975 -12.263 3.557
157 HB2 ARG 21 HB2 ARG 21 -2.248 -11.228 5.371
158 HB3 ARG 21 HB3 ARG 21 -3.747 -11.941 4.787
159 HG2 ARG 21 HG2 ARG 21 -2.883 -13.052 6.803
160 HG3 ARG 21 HG3 ARG 21 -3.054 -14.153 5.449
161 HD2 ARG 21 HD2 ARG 21 -1.012 -14.593 6.726
162 HD3 ARG 21 HD3 ARG 21 -0.654 -14.146 5.066
163 HE ARG 21 HE ARG 21 -0.553 -11.967 7.043
164 HH11 ARG 21 HH11 ARG 21 1.379 -14.536 5.553
165 HH12 ARG 21 HH12 ARG 21 2.809 -13.559 5.380
166 HH21 ARG 21 HH21 ARG 21 1.407 -10.856 7.240
167 HH22 ARG 21 HH22 ARG 21 2.866 -11.492 6.549
168 H SER 22 H SER 22 -3.876 -12.465 1.519
169 HA SER 22 HA SER 22 -4.390 -15.195 1.693
170 HB2 SER 22 HB2 SER 22 -4.467 -13.728 -0.949
171 HB3 SER 22 HB3 SER 22 -5.572 -14.958 -0.317
172 HG SER 22 HG SER 22 -6.319 -13.366 1.204
173 H SER 23 H SER 23 -2.162 -13.580 -0.670
174 HA SER 23 HA SER 23 -0.551 -16.071 -0.709
175 HB2 SER 23 HB2 SER 23 -2.188 -15.919 -2.673
176 HB3 SER 23 HB3 SER 23 -1.153 -14.608 -3.282
177 HG SER 23 HG SER 23 -0.524 -16.645 -4.103
178 H GLY 24 H GLY 24 -0.564 -12.548 -0.673
179 HA2 GLY 24 HA2 GLY 24 1.427 -11.557 0.166
180 HA3 GLY 24 HA3 GLY 24 2.402 -12.563 -0.887
181 H ARG 25 H ARG 25 -0.656 -10.790 -1.856
182 HA ARG 25 HA ARG 25 0.875 -9.625 -4.090
183 HB2 ARG 25 HB2 ARG 25 -2.046 -9.855 -3.317
184 HB3 ARG 25 HB3 ARG 25 -1.559 -8.545 -4.375
185 HG2 ARG 25 HG2 ARG 25 -0.960 -11.455 -5.011
186 HG3 ARG 25 HG3 ARG 25 -2.402 -10.581 -5.536
187 HD2 ARG 25 HD2 ARG 25 -1.181 -10.110 -7.374
188 HD3 ARG 25 HD3 ARG 25 -0.572 -8.795 -6.383
189 HE ARG 25 HE ARG 25 0.887 -11.369 -6.292
190 HH11 ARG 25 HH11 ARG 25 0.748 -8.164 -7.896
191 HH12 ARG 25 HH12 ARG 25 2.360 -8.328 -8.524
192 HH21 ARG 25 HH21 ARG 25 2.846 -11.573 -7.201
193 HH22 ARG 25 HH22 ARG 25 3.575 -10.343 -8.197
194 H VAL 26 H VAL 26 1.773 -7.560 -3.984
195 HA VAL 26 HA VAL 26 1.378 -6.026 -1.537
196 HB VAL 26 HB VAL 26 2.865 -5.224 -4.063
197 HG11 VAL 26 HG11 VAL 26 2.428 -3.403 -2.417
198 HG12 VAL 26 HG12 VAL 26 3.177 -4.385 -1.135
199 HG13 VAL 26 HG13 VAL 26 4.150 -3.799 -2.509
200 HG21 VAL 26 HG21 VAL 26 4.903 -6.019 -2.828
201 HG22 VAL 26 HG22 VAL 26 3.832 -6.807 -1.664
202 HG23 VAL 26 HG23 VAL 26 3.848 -7.324 -3.368
203 H TYR 27 H TYR 27 0.031 -4.224 -1.304
204 HA TYR 27 HA TYR 27 -1.085 -2.882 -3.596
205 HB2 TYR 27 HB2 TYR 27 -3.364 -3.432 -3.361
206 HB3 TYR 27 HB3 TYR 27 -2.542 -4.968 -3.403
207 HD1 TYR 27 HD1 TYR 27 -1.955 -6.029 -1.057
208 HD2 TYR 27 HD2 TYR 27 -4.941 -3.010 -1.691
209 HE1 TYR 27 HE1 TYR 27 -2.999 -6.637 1.099
210 HE2 TYR 27 HE2 TYR 27 -5.963 -3.582 0.547
211 HH TYR 27 HH TYR 27 -4.640 -6.164 2.613
212 H TYR 28 H TYR 28 -2.794 -1.269 -2.752
213 HA TYR 28 HA TYR 28 -1.746 -0.028 -0.273
214 HB2 TYR 28 HB2 TYR 28 -3.315 1.266 -2.501
215 HB3 TYR 28 HB3 TYR 28 -2.304 2.038 -1.290
216 HD1 TYR 28 HD2 TYR 28 0.236 1.451 -1.363
217 HD2 TYR 28 HD1 TYR 28 -2.443 0.839 -4.662
218 HE1 TYR 28 HE2 TYR 28 2.189 1.373 -2.873
219 HE2 TYR 28 HE1 TYR 28 -0.496 0.557 -6.170
220 HH TYR 28 HH TYR 28 2.733 1.262 -5.246
221 H PHE 29 H PHE 29 -3.189 0.573 1.362
222 HA PHE 29 HA PHE 29 -6.109 0.112 0.910
223 HB2 PHE 29 HB2 PHE 29 -5.297 -1.858 2.055
224 HB3 PHE 29 HB3 PHE 29 -4.364 -0.865 3.177
225 HD1 PHE 29 HD2 PHE 29 -7.971 -0.117 2.239
226 HD2 PHE 29 HD1 PHE 29 -5.253 -1.734 5.203
227 HE1 PHE 29 HE2 PHE 29 -9.697 0.106 3.944
228 HE2 PHE 29 HE1 PHE 29 -7.057 -1.553 6.896
229 HZ PHE 29 HZ PHE 29 -9.243 -0.543 6.287
230 H ASN 30 H ASN 30 -7.197 1.837 1.216
231 HA ASN 30 HA ASN 30 -6.325 4.136 2.796
232 HB2 ASN 30 HB2 ASN 30 -7.342 4.066 0.384
233 HB3 ASN 30 HB3 ASN 30 -8.831 3.833 1.158
234 HD21 ASN 30 HD21 ASN 30 -8.030 6.255 -0.298
235 HD22 ASN 30 HD22 ASN 30 -8.539 7.514 0.804
236 H HIS 31 H HIS 31 -6.730 3.840 4.960
237 HA HIS 31 HA HIS 31 -9.226 2.574 5.865
238 HB2 HIS 31 HB2 HIS 31 -8.453 2.916 8.106
239 HB3 HIS 31 HB3 HIS 31 -7.182 2.204 7.143
240 HD1 HIS 31 HD1 HIS 31 -8.064 5.519 8.924
241 HD2 HIS 31 HD2 HIS 31 -4.926 3.640 6.799
242 HE1 HIS 31 HE1 HIS 31 -5.989 6.961 9.239
243 H ILE 32 H ILE 32 -8.540 5.738 4.745
244 HA ILE 32 HA ILE 32 -10.249 7.142 6.686
245 HB ILE 32 HB ILE 32 -8.457 7.829 4.402
246 HG12 ILE 32 HG12 ILE 32 -7.855 9.738 5.695
247 HG13 ILE 32 HG13 ILE 32 -9.259 9.558 6.758
248 HG21 ILE 32 HG21 ILE 32 -10.471 8.767 3.377
249 HG22 ILE 32 HG22 ILE 32 -10.844 9.649 4.873
250 HG23 ILE 32 HG23 ILE 32 -9.396 10.049 3.939
251 HD11 ILE 32 HD11 ILE 32 -8.321 7.647 7.822
252 HD12 ILE 32 HD12 ILE 32 -7.133 7.415 6.537
253 HD13 ILE 32 HD13 ILE 32 -6.971 8.793 7.654
254 H THR 33 H THR 33 -10.465 5.655 3.516
255 HA THR 33 HA THR 33 -13.380 6.271 3.428
256 HB THR 33 HB THR 33 -11.634 7.530 1.955
257 HG1 THR 33 HG1 THR 33 -13.419 8.134 1.305
258 HG21 THR 33 HG21 THR 33 -10.940 6.604 -0.034
259 HG22 THR 33 HG22 THR 33 -12.029 5.203 0.137
260 HG23 THR 33 HG23 THR 33 -10.616 5.391 1.220
261 H ASN 34 H ASN 34 -11.254 3.718 3.808
262 HA ASN 34 HA ASN 34 -11.402 1.504 3.558
263 HB2 ASN 34 HB2 ASN 34 -13.449 1.997 4.792
264 HB3 ASN 34 HB3 ASN 34 -14.382 1.935 3.298
265 HD21 ASN 34 HD21 ASN 34 -15.416 -0.048 3.046
266 HD22 ASN 34 HD22 ASN 34 -14.734 -1.570 3.601
267 H ALA 35 H ALA 35 -10.420 2.565 1.553
268 HA ALA 35 HA ALA 35 -11.513 1.130 -0.834
269 HB1 ALA 35 HB1 ALA 35 -11.859 3.453 -1.145
270 HB2 ALA 35 HB2 ALA 35 -10.191 3.845 -0.658
271 HB3 ALA 35 HB3 ALA 35 -10.474 2.963 -2.164
272 H SER 36 H SER 36 -10.090 -0.404 -1.497
273 HA SER 36 HA SER 36 -7.173 0.017 -1.118
274 HB2 SER 36 HB2 SER 36 -7.128 -2.525 -0.689
275 HB3 SER 36 HB3 SER 36 -7.454 -1.450 0.666
276 HG SER 36 HG SER 36 -8.790 -3.445 0.211
277 H GLN 37 H GLN 37 -5.889 -0.516 -2.860
278 HA GLN 37 HA GLN 37 -6.622 -2.641 -4.616
279 HB2 GLN 37 HB2 GLN 37 -6.944 -1.313 -6.667
280 HB3 GLN 37 HB3 GLN 37 -8.228 -1.044 -5.500
281 HG2 GLN 37 HG2 GLN 37 -7.167 1.111 -4.836
282 HG3 GLN 37 HG3 GLN 37 -5.911 0.839 -6.058
283 HE21 GLN 37 HE21 GLN 37 -6.980 3.141 -6.604
284 HE22 GLN 37 HE22 GLN 37 -8.331 3.076 -7.700
285 H TRP 38 H TRP 38 -5.103 -2.531 -6.577
286 HA TRP 38 HA TRP 38 -2.359 -1.987 -5.643
287 HB2 TRP 38 HB2 TRP 38 -1.895 -3.172 -7.899
288 HB3 TRP 38 HB3 TRP 38 -2.547 -4.111 -6.548
289 HD1 TRP 38 HD1 TRP 38 -4.311 -2.061 -9.345
290 HE1 TRP 38 HE1 TRP 38 -6.410 -3.220 -9.968
291 HE3 TRP 38 HE3 TRP 38 -3.520 -6.408 -6.754
292 HZ2 TRP 38 HZ2 TRP 38 -7.742 -5.820 -9.316
293 HZ3 TRP 38 HZ3 TRP 38 -5.228 -8.204 -6.771
294 HH2 TRP 38 HH2 TRP 38 -7.355 -7.903 -8.028
295 H GLU 39 H GLU 39 -4.707 -0.193 -7.329
296 HA GLU 39 HA GLU 39 -2.858 0.967 -9.305
297 HB2 GLU 39 HB2 GLU 39 -5.092 0.744 -10.076
298 HB3 GLU 39 HB3 GLU 39 -5.767 1.493 -8.625
299 HG2 GLU 39 HG2 GLU 39 -4.725 3.675 -9.237
300 HG3 GLU 39 HG3 GLU 39 -3.975 2.910 -10.649
301 H ARG 40 H ARG 40 -1.363 2.338 -8.453
302 HA ARG 40 HA ARG 40 -1.285 3.385 -5.916
303 HB2 ARG 40 HB2 ARG 40 -0.076 4.397 -8.494
304 HB3 ARG 40 HB3 ARG 40 0.251 5.185 -6.948
305 HG2 ARG 40 HG2 ARG 40 1.176 3.194 -5.992
306 HG3 ARG 40 HG3 ARG 40 0.659 2.208 -7.367
307 HD2 ARG 40 HD2 ARG 40 3.024 2.604 -7.547
308 HD3 ARG 40 HD3 ARG 40 2.172 3.470 -8.851
309 HE ARG 40 HE ARG 40 2.827 4.905 -6.322
310 HH11 ARG 40 HH11 ARG 40 3.881 4.266 -9.651
311 HH12 ARG 40 HH12 ARG 40 4.983 5.611 -9.674
312 HH21 ARG 40 HH21 ARG 40 3.941 6.873 -6.517
313 HH22 ARG 40 HH22 ARG 40 4.873 7.206 -7.937
314 HA PRO 41 HA PRO 41 -4.486 6.604 -5.824
315 HB2 PRO 41 HB2 PRO 41 -4.066 7.550 -3.336
316 HB3 PRO 41 HB3 PRO 41 -4.710 5.925 -3.661
317 HG2 PRO 41 HG2 PRO 41 -1.804 6.628 -3.140
318 HG3 PRO 41 HG3 PRO 41 -2.850 5.455 -2.255
319 HD2 PRO 41 HD2 PRO 41 -1.174 4.766 -4.289
320 HD3 PRO 41 HD3 PRO 41 -2.762 3.980 -4.145
321 H SER 42 H SER 42 -4.524 9.087 -5.143
322 HA SER 42 HA SER 42 -2.023 10.576 -5.480
323 HB2 SER 42 HB2 SER 42 -4.361 10.654 -7.448
324 HB3 SER 42 HB3 SER 42 -3.103 11.892 -7.360
325 HG SER 42 HG SER 42 -3.056 9.812 -8.795
326 H GLY 43 H GLY 43 -2.762 10.932 -3.222
327 HA2 GLY 43 HA2 GLY 43 -5.020 12.867 -3.027
328 HA3 GLY 43 HA3 GLY 43 -4.463 11.825 -1.720
Start of MODEL 5
1 H1 GLY 1 H GLY 1 17.280 -8.091 5.550
2 HA2 GLY 1 HA2 GLY 1 17.492 -7.508 3.189
3 HA3 GLY 1 HA3 GLY 1 16.236 -8.746 3.407
4 H LEU 2 H LEU 2 16.939 -5.597 2.287
5 HA LEU 2 HA LEU 2 15.768 -3.933 1.374
6 HB2 LEU 2 HB2 LEU 2 15.087 -6.055 0.040
7 HB3 LEU 2 HB3 LEU 2 13.541 -5.899 0.859
8 HG LEU 2 HG LEU 2 13.390 -3.516 -0.158
9 HD11 LEU 2 HD11 LEU 2 15.732 -4.586 -1.786
10 HD12 LEU 2 HD12 LEU 2 15.710 -3.144 -0.725
11 HD13 LEU 2 HD13 LEU 2 14.750 -3.154 -2.195
12 HD21 LEU 2 HD21 LEU 2 13.531 -5.901 -2.019
13 HD22 LEU 2 HD22 LEU 2 12.676 -4.362 -2.304
14 HD23 LEU 2 HD23 LEU 2 12.145 -5.437 -1.004
15 H GLU 3 H GLU 3 15.235 -4.372 4.321
16 HA GLU 3 HA GLU 3 12.587 -3.041 4.610
17 HB2 GLU 3 HB2 GLU 3 12.923 -3.835 7.058
18 HB3 GLU 3 HB3 GLU 3 12.351 -4.917 5.829
19 HG2 GLU 3 HG2 GLU 3 13.956 -5.917 7.451
20 HG3 GLU 3 HG3 GLU 3 14.276 -6.190 5.757
21 H HIS 4 H HIS 4 14.392 -1.357 3.655
22 HA HIS 4 HA HIS 4 14.854 0.474 5.907
23 HB2 HIS 4 HB2 HIS 4 17.101 -0.550 4.125
24 HB3 HIS 4 HB3 HIS 4 17.170 0.996 4.958
25 HD1 HIS 4 HD1 HIS 4 16.875 -2.789 5.988
26 HD2 HIS 4 HD2 HIS 4 17.935 1.037 7.440
27 HE1 HIS 4 HE1 HIS 4 17.873 -3.141 8.269
28 H MET 5 H MET 5 15.948 0.378 2.504
29 HA MET 5 HA MET 5 15.066 3.070 1.958
30 HB2 MET 5 HB2 MET 5 15.934 0.753 0.192
31 HB3 MET 5 HB3 MET 5 15.507 2.332 -0.447
32 HG2 MET 5 HG2 MET 5 17.687 1.824 1.622
33 HG3 MET 5 HG3 MET 5 17.968 1.956 -0.108
34 HE1 MET 5 HE1 MET 5 17.195 5.712 -0.871
35 HE2 MET 5 HE2 MET 5 17.715 4.157 -1.535
36 HE3 MET 5 HE3 MET 5 16.044 4.389 -1.003
37 H ALA 6 H ALA 6 13.044 3.652 1.726
38 HA ALA 6 HA ALA 6 10.965 1.780 0.703
39 HB1 ALA 6 HB1 ALA 6 9.391 2.777 2.286
40 HB2 ALA 6 HB2 ALA 6 10.769 2.074 3.155
41 HB3 ALA 6 HB3 ALA 6 10.671 3.830 2.949
42 H ASP 7 H ASP 7 10.897 2.523 -1.302
43 HA ASP 7 HA ASP 7 10.488 5.469 -1.816
44 HB2 ASP 7 HB2 ASP 7 11.839 3.253 -3.403
45 HB3 ASP 7 HB3 ASP 7 11.173 4.684 -4.200
46 H GLU 8 H GLU 8 9.381 2.182 -2.285
47 HA GLU 8 HA GLU 8 7.279 2.817 -4.169
48 HB2 GLU 8 HB2 GLU 8 6.541 0.515 -3.742
49 HB3 GLU 8 HB3 GLU 8 8.211 0.659 -4.261
50 HG2 GLU 8 HG2 GLU 8 7.552 0.324 -1.311
51 HG3 GLU 8 HG3 GLU 8 7.576 -1.046 -2.406
52 H GLU 9 H GLU 9 7.501 2.531 -0.641
53 HA GLU 9 HA GLU 9 4.656 2.640 -0.181
54 HB2 GLU 9 HB2 GLU 9 6.771 3.228 1.906
55 HB3 GLU 9 HB3 GLU 9 5.145 2.592 2.108
56 HG2 GLU 9 HG2 GLU 9 5.873 0.458 1.035
57 HG3 GLU 9 HG3 GLU 9 7.515 1.117 0.885
58 H LYS 10 H LYS 10 6.170 4.985 -1.575
59 HA LYS 10 HA LYS 10 5.632 7.250 0.165
60 HB2 LYS 10 HB2 LYS 10 6.558 7.116 -2.728
61 HB3 LYS 10 HB3 LYS 10 6.331 8.640 -1.869
62 HG2 LYS 10 HG2 LYS 10 8.260 6.508 -0.889
63 HG3 LYS 10 HG3 LYS 10 8.683 7.748 -2.051
64 HD2 LYS 10 HD2 LYS 10 9.442 8.436 0.095
65 HD3 LYS 10 HD3 LYS 10 8.168 9.537 -0.426
66 HE2 LYS 10 HE2 LYS 10 6.604 8.680 1.120
67 HE3 LYS 10 HE3 LYS 10 7.493 7.173 1.338
68 HZ1 LYS 10 HZ1 LYS 10 7.752 8.478 3.235
69 HZ2 LYS 10 HZ2 LYS 10 8.182 9.821 2.402
70 HZ3 LYS 10 HZ3 LYS 10 9.210 8.509 2.461
71 H LEU 11 H LEU 11 3.280 5.744 -0.191
72 HA LEU 11 HA LEU 11 1.566 7.019 -2.070
73 HB2 LEU 11 HB2 LEU 11 1.469 5.052 0.254
74 HB3 LEU 11 HB3 LEU 11 -0.022 5.798 -0.252
75 HG LEU 11 HG LEU 11 0.713 5.115 -2.673
76 HD11 LEU 11 HD11 LEU 11 2.051 3.183 -2.914
77 HD12 LEU 11 HD12 LEU 11 2.366 3.083 -1.158
78 HD13 LEU 11 HD13 LEU 11 3.011 4.413 -2.147
79 HD21 LEU 11 HD21 LEU 11 -0.564 3.111 -2.428
80 HD22 LEU 11 HD22 LEU 11 -1.169 4.143 -1.177
81 HD23 LEU 11 HD23 LEU 11 -0.048 2.877 -0.724
82 HA PRO 12 HA PRO 12 0.308 10.565 0.267
83 HB2 PRO 12 HB2 PRO 12 -2.417 10.720 -0.295
84 HB3 PRO 12 HB3 PRO 12 -1.142 10.934 -1.521
85 HG2 PRO 12 HG2 PRO 12 -2.680 8.456 -0.777
86 HG3 PRO 12 HG3 PRO 12 -2.494 9.156 -2.420
87 HD2 PRO 12 HD2 PRO 12 -0.982 7.149 -1.494
88 HD3 PRO 12 HD3 PRO 12 -0.278 8.405 -2.572
89 HA PRO 13 HA PRO 13 -0.950 9.298 4.299
90 HB2 PRO 13 HB2 PRO 13 -2.714 11.188 5.266
91 HB3 PRO 13 HB3 PRO 13 -0.952 11.468 5.074
92 HG2 PRO 13 HG2 PRO 13 -3.166 12.225 3.159
93 HG3 PRO 13 HG3 PRO 13 -1.810 13.240 3.744
94 HD2 PRO 13 HD2 PRO 13 -1.683 12.006 1.349
95 HD3 PRO 13 HD3 PRO 13 -0.237 12.068 2.402
96 H GLY 14 H GLY 14 -2.737 8.358 5.623
97 HA2 GLY 14 HA2 GLY 14 -4.683 7.292 5.953
98 HA3 GLY 14 HA3 GLY 14 -5.399 8.028 4.511
99 H TRP 15 H TRP 15 -3.021 6.964 2.866
100 HA TRP 15 HA TRP 15 -4.131 4.260 2.396
101 HB2 TRP 15 HB2 TRP 15 -2.056 5.874 0.917
102 HB3 TRP 15 HB3 TRP 15 -2.410 4.194 0.591
103 HD1 TRP 15 HD1 TRP 15 -4.202 7.616 0.395
104 HE1 TRP 15 HE1 TRP 15 -5.989 7.474 -1.471
105 HE3 TRP 15 HE3 TRP 15 -3.924 2.628 -0.633
106 HZ2 TRP 15 HZ2 TRP 15 -7.371 5.384 -2.903
107 HZ3 TRP 15 HZ3 TRP 15 -5.486 1.586 -2.277
108 HH2 TRP 15 HH2 TRP 15 -7.232 2.961 -3.372
109 H GLU 16 H GLU 16 -2.773 2.374 2.330
110 HA GLU 16 HA GLU 16 -0.229 2.386 3.835
111 HB2 GLU 16 HB2 GLU 16 -2.916 1.262 4.624
112 HB3 GLU 16 HB3 GLU 16 -1.546 0.215 4.821
113 HG2 GLU 16 HG2 GLU 16 -0.904 2.898 5.859
114 HG3 GLU 16 HG3 GLU 16 -2.410 2.334 6.521
115 H LYS 17 H LYS 17 1.169 1.140 2.740
116 HA LYS 17 HA LYS 17 0.234 -0.430 0.424
117 HB2 LYS 17 HB2 LYS 17 2.192 1.189 0.396
118 HB3 LYS 17 HB3 LYS 17 3.058 0.089 1.447
119 HG2 LYS 17 HG2 LYS 17 1.922 -0.614 -1.290
120 HG3 LYS 17 HG3 LYS 17 3.588 -0.104 -1.008
121 HD2 LYS 17 HD2 LYS 17 2.193 -2.664 -0.169
122 HD3 LYS 17 HD3 LYS 17 3.496 -2.441 -1.338
123 HE2 LYS 17 HE2 LYS 17 4.859 -1.353 0.580
124 HE3 LYS 17 HE3 LYS 17 3.683 -2.078 1.686
125 HZ1 LYS 17 HZ1 LYS 17 5.614 -3.384 1.425
126 HZ2 LYS 17 HZ2 LYS 17 5.476 -3.509 -0.164
127 HZ3 LYS 17 HZ3 LYS 17 4.345 -4.258 0.819
128 H ARG 18 H ARG 18 -0.430 -2.443 0.850
129 HA ARG 18 HA ARG 18 0.863 -4.006 3.057
130 HB2 ARG 18 HB2 ARG 18 -2.094 -3.747 2.293
131 HB3 ARG 18 HB3 ARG 18 -1.466 -4.806 3.551
132 HG2 ARG 18 HG2 ARG 18 -1.170 -1.756 3.619
133 HG3 ARG 18 HG3 ARG 18 -2.470 -2.609 4.360
134 HD2 ARG 18 HD2 ARG 18 -0.570 -4.009 5.566
135 HD3 ARG 18 HD3 ARG 18 0.480 -2.680 5.055
136 HE ARG 18 HE ARG 18 -0.482 -1.286 6.577
137 HH11 ARG 18 HH11 ARG 18 -2.471 -4.271 6.372
138 HH12 ARG 18 HH12 ARG 18 -3.390 -3.905 7.782
139 HH21 ARG 18 HH21 ARG 18 -1.802 -0.779 8.321
140 HH22 ARG 18 HH22 ARG 18 -3.057 -1.812 8.916
141 H MET 19 H MET 19 -0.245 -6.409 2.873
142 HA MET 19 HA MET 19 -0.151 -7.286 0.063
143 HB2 MET 19 HB2 MET 19 2.073 -7.534 1.257
144 HB3 MET 19 HB3 MET 19 1.277 -8.717 2.328
145 HG2 MET 19 HG2 MET 19 0.614 -9.981 0.243
146 HG3 MET 19 HG3 MET 19 1.603 -8.858 -0.687
147 HE1 MET 19 HE1 MET 19 3.979 -8.621 1.746
148 HE2 MET 19 HE2 MET 19 5.185 -9.671 0.975
149 HE3 MET 19 HE3 MET 19 4.290 -8.490 0.010
150 H SER 20 H SER 20 -1.705 -8.703 -0.398
151 HA SER 20 HA SER 20 -3.850 -9.202 1.412
152 HB2 SER 20 HB2 SER 20 -4.104 -9.200 -1.088
153 HB3 SER 20 HB3 SER 20 -3.106 -10.656 -1.171
154 HG SER 20 HG SER 20 -5.682 -10.332 0.000
155 H ARG 21 H ARG 21 -3.878 -10.643 3.016
156 HA ARG 21 HA ARG 21 -1.727 -12.525 3.412
157 HB2 ARG 21 HB2 ARG 21 -3.108 -11.306 5.177
158 HB3 ARG 21 HB3 ARG 21 -4.428 -12.434 4.833
159 HG2 ARG 21 HG2 ARG 21 -3.019 -14.329 5.504
160 HG3 ARG 21 HG3 ARG 21 -1.616 -13.258 5.696
161 HD2 ARG 21 HD2 ARG 21 -4.190 -13.061 7.307
162 HD3 ARG 21 HD3 ARG 21 -2.740 -13.946 7.818
163 HE ARG 21 HE ARG 21 -1.931 -11.328 7.169
164 HH11 ARG 21 HH11 ARG 21 -4.033 -12.896 9.555
165 HH12 ARG 21 HH12 ARG 21 -3.525 -11.883 10.877
166 HH21 ARG 21 HH21 ARG 21 -1.299 -9.931 8.888
167 HH22 ARG 21 HH22 ARG 21 -2.203 -9.922 10.355
168 H SER 22 H SER 22 -4.584 -12.713 1.481
169 HA SER 22 HA SER 22 -5.110 -15.497 1.822
170 HB2 SER 22 HB2 SER 22 -6.482 -15.252 -0.159
171 HB3 SER 22 HB3 SER 22 -6.770 -13.933 0.979
172 HG SER 22 HG SER 22 -5.533 -12.550 -0.434
173 H SER 23 H SER 23 -3.466 -13.814 -0.916
174 HA SER 23 HA SER 23 -2.054 -16.325 -1.635
175 HB2 SER 23 HB2 SER 23 -2.090 -15.170 -3.909
176 HB3 SER 23 HB3 SER 23 -3.669 -15.679 -3.277
177 HG SER 23 HG SER 23 -3.668 -13.535 -4.121
178 H GLY 24 H GLY 24 -1.414 -13.241 -0.258
179 HA2 GLY 24 HA2 GLY 24 0.622 -12.266 0.206
180 HA3 GLY 24 HA3 GLY 24 1.440 -13.563 -0.690
181 H ARG 25 H ARG 25 -1.040 -11.013 -1.490
182 HA ARG 25 HA ARG 25 0.608 -10.290 -3.861
183 HB2 ARG 25 HB2 ARG 25 -2.217 -11.126 -3.577
184 HB3 ARG 25 HB3 ARG 25 -2.043 -9.603 -4.419
185 HG2 ARG 25 HG2 ARG 25 -0.306 -11.995 -5.139
186 HG3 ARG 25 HG3 ARG 25 -1.937 -11.849 -5.772
187 HD2 ARG 25 HD2 ARG 25 0.067 -9.573 -6.060
188 HD3 ARG 25 HD3 ARG 25 0.025 -10.899 -7.214
189 HE ARG 25 HE ARG 25 -1.865 -8.707 -6.930
190 HH11 ARG 25 HH11 ARG 25 -1.605 -12.083 -8.044
191 HH12 ARG 25 HH12 ARG 25 -2.881 -11.975 -9.190
192 HH21 ARG 25 HH21 ARG 25 -3.403 -8.489 -8.551
193 HH22 ARG 25 HH22 ARG 25 -4.149 -9.865 -9.313
194 H VAL 26 H VAL 26 1.446 -8.337 -3.740
195 HA VAL 26 HA VAL 26 0.765 -6.583 -1.591
196 HB VAL 26 HB VAL 26 2.536 -6.202 -4.028
197 HG11 VAL 26 HG11 VAL 26 2.468 -4.675 -1.393
198 HG12 VAL 26 HG12 VAL 26 3.616 -4.427 -2.730
199 HG13 VAL 26 HG13 VAL 26 1.913 -4.021 -2.953
200 HG21 VAL 26 HG21 VAL 26 3.291 -8.064 -2.523
201 HG22 VAL 26 HG22 VAL 26 4.355 -6.659 -2.352
202 HG23 VAL 26 HG23 VAL 26 3.130 -6.970 -1.126
203 H TYR 27 H TYR 27 -0.393 -4.688 -1.551
204 HA TYR 27 HA TYR 27 -1.511 -3.496 -3.884
205 HB2 TYR 27 HB2 TYR 27 -3.791 -3.836 -3.564
206 HB3 TYR 27 HB3 TYR 27 -3.103 -5.439 -3.545
207 HD1 TYR 27 HD1 TYR 27 -2.465 -6.327 -1.052
208 HD2 TYR 27 HD2 TYR 27 -5.326 -3.228 -1.950
209 HE1 TYR 27 HE1 TYR 27 -3.541 -6.721 1.115
210 HE2 TYR 27 HE2 TYR 27 -6.453 -3.646 0.205
211 HH TYR 27 HH TYR 27 -5.254 -5.807 2.706
212 H TYR 28 H TYR 28 -2.902 -1.621 -3.127
213 HA TYR 28 HA TYR 28 -1.792 -0.401 -0.670
214 HB2 TYR 28 HB2 TYR 28 -3.198 0.886 -3.039
215 HB3 TYR 28 HB3 TYR 28 -2.264 1.676 -1.779
216 HD1 TYR 28 HD2 TYR 28 0.257 0.811 -1.553
217 HD2 TYR 28 HD1 TYR 28 -2.096 0.554 -5.139
218 HE1 TYR 28 HE2 TYR 28 2.333 0.937 -2.896
219 HE2 TYR 28 HE1 TYR 28 -0.014 0.546 -6.492
220 HH TYR 28 HH TYR 28 2.430 0.219 -6.321
221 H PHE 29 H PHE 29 -3.246 0.441 0.922
222 HA PHE 29 HA PHE 29 -6.163 0.066 0.533
223 HB2 PHE 29 HB2 PHE 29 -5.579 -1.956 1.650
224 HB3 PHE 29 HB3 PHE 29 -4.372 -1.131 2.635
225 HD1 PHE 29 HD2 PHE 29 -8.069 -0.295 2.137
226 HD2 PHE 29 HD1 PHE 29 -4.878 -1.365 4.865
227 HE1 PHE 29 HE2 PHE 29 -9.559 0.073 4.038
228 HE2 PHE 29 HE1 PHE 29 -6.422 -1.038 6.763
229 HZ PHE 29 HZ PHE 29 -8.785 -0.334 6.354
230 H ASN 30 H ASN 30 -7.186 1.843 1.029
231 HA ASN 30 HA ASN 30 -5.989 3.900 2.739
232 HB2 ASN 30 HB2 ASN 30 -7.107 4.321 0.408
233 HB3 ASN 30 HB3 ASN 30 -8.596 4.099 1.242
234 HD21 ASN 30 HD21 ASN 30 -6.441 6.625 0.621
235 HD22 ASN 30 HD22 ASN 30 -6.965 7.671 1.925
236 H HIS 31 H HIS 31 -6.318 3.585 4.828
237 HA HIS 31 HA HIS 31 -8.732 2.136 5.720
238 HB2 HIS 31 HB2 HIS 31 -7.780 2.181 7.920
239 HB3 HIS 31 HB3 HIS 31 -6.624 1.584 6.743
240 HD1 HIS 31 HD1 HIS 31 -7.112 4.361 9.232
241 HD2 HIS 31 HD2 HIS 31 -4.458 3.180 6.187
242 HE1 HIS 31 HE1 HIS 31 -5.015 5.822 9.474
243 H ILE 32 H ILE 32 -8.121 5.417 5.029
244 HA ILE 32 HA ILE 32 -9.908 6.501 7.087
245 HB ILE 32 HB ILE 32 -8.115 7.585 4.919
246 HG12 ILE 32 HG12 ILE 32 -7.329 9.104 6.602
247 HG13 ILE 32 HG13 ILE 32 -8.603 8.631 7.733
248 HG21 ILE 32 HG21 ILE 32 -8.996 9.881 5.222
249 HG22 ILE 32 HG22 ILE 32 -10.123 8.838 4.362
250 HG23 ILE 32 HG23 ILE 32 -10.384 9.231 6.081
251 HD11 ILE 32 HD11 ILE 32 -7.619 6.515 8.099
252 HD12 ILE 32 HD12 ILE 32 -6.541 6.665 6.684
253 HD13 ILE 32 HD13 ILE 32 -6.272 7.674 8.123
254 H THR 33 H THR 33 -9.973 5.705 3.595
255 HA THR 33 HA THR 33 -12.919 6.267 3.610
256 HB THR 33 HB THR 33 -11.603 7.909 2.375
257 HG1 THR 33 HG1 THR 33 -12.753 7.148 0.194
258 HG21 THR 33 HG21 THR 33 -10.777 5.581 0.636
259 HG22 THR 33 HG22 THR 33 -9.778 6.780 1.503
260 HG23 THR 33 HG23 THR 33 -10.697 7.287 0.109
261 H ASN 34 H ASN 34 -10.913 3.734 3.751
262 HA ASN 34 HA ASN 34 -11.102 1.529 3.286
263 HB2 ASN 34 HB2 ASN 34 -13.316 2.202 4.284
264 HB3 ASN 34 HB3 ASN 34 -14.018 2.035 2.674
265 HD21 ASN 34 HD21 ASN 34 -15.275 0.452 4.099
266 HD22 ASN 34 HD22 ASN 34 -14.678 -1.180 4.265
267 H ALA 35 H ALA 35 -10.216 3.129 1.197
268 HA ALA 35 HA ALA 35 -11.270 1.854 -1.301
269 HB1 ALA 35 HB1 ALA 35 -9.578 4.351 -0.876
270 HB2 ALA 35 HB2 ALA 35 -10.107 3.706 -2.436
271 HB3 ALA 35 HB3 ALA 35 -11.320 4.294 -1.263
272 H SER 36 H SER 36 -10.069 0.135 -1.785
273 HA SER 36 HA SER 36 -7.136 0.103 -1.376
274 HB2 SER 36 HB2 SER 36 -7.597 -2.434 -0.975
275 HB3 SER 36 HB3 SER 36 -7.835 -1.309 0.360
276 HG SER 36 HG SER 36 -9.823 -2.051 0.454
277 H GLN 37 H GLN 37 -5.903 -0.648 -3.131
278 HA GLN 37 HA GLN 37 -6.876 -2.526 -4.990
279 HB2 GLN 37 HB2 GLN 37 -6.849 -1.014 -6.983
280 HB3 GLN 37 HB3 GLN 37 -8.218 -0.858 -5.919
281 HG2 GLN 37 HG2 GLN 37 -7.198 1.233 -4.947
282 HG3 GLN 37 HG3 GLN 37 -5.907 1.092 -6.139
283 HE21 GLN 37 HE21 GLN 37 -7.975 3.294 -5.842
284 HE22 GLN 37 HE22 GLN 37 -8.801 3.344 -7.357
285 H TRP 38 H TRP 38 -5.301 -2.788 -6.820
286 HA TRP 38 HA TRP 38 -2.541 -2.591 -5.884
287 HB2 TRP 38 HB2 TRP 38 -2.180 -3.498 -8.278
288 HB3 TRP 38 HB3 TRP 38 -3.002 -4.543 -7.115
289 HD1 TRP 38 HD1 TRP 38 -4.139 -1.967 -9.826
290 HE1 TRP 38 HE1 TRP 38 -6.350 -2.714 -10.814
291 HE3 TRP 38 HE3 TRP 38 -4.617 -6.458 -7.400
292 HZ2 TRP 38 HZ2 TRP 38 -8.015 -5.078 -10.749
293 HZ3 TRP 38 HZ3 TRP 38 -6.499 -7.971 -7.950
294 HH2 TRP 38 HH2 TRP 38 -8.237 -7.274 -9.572
295 H GLU 39 H GLU 39 -4.739 -0.586 -7.693
296 HA GLU 39 HA GLU 39 -2.753 0.691 -9.368
297 HB2 GLU 39 HB2 GLU 39 -5.058 0.434 -10.054
298 HB3 GLU 39 HB3 GLU 39 -5.641 1.377 -8.680
299 HG2 GLU 39 HG2 GLU 39 -4.831 3.394 -9.548
300 HG3 GLU 39 HG3 GLU 39 -3.581 2.582 -10.484
301 H ARG 40 H ARG 40 -1.267 1.980 -8.556
302 HA ARG 40 HA ARG 40 -1.150 2.877 -5.943
303 HB2 ARG 40 HB2 ARG 40 0.614 2.633 -7.815
304 HB3 ARG 40 HB3 ARG 40 0.241 4.312 -8.239
305 HG2 ARG 40 HG2 ARG 40 1.049 5.079 -6.077
306 HG3 ARG 40 HG3 ARG 40 1.057 3.425 -5.426
307 HD2 ARG 40 HD2 ARG 40 2.723 2.771 -7.188
308 HD3 ARG 40 HD3 ARG 40 2.796 4.455 -7.684
309 HE ARG 40 HE ARG 40 3.516 3.470 -4.940
310 HH11 ARG 40 HH11 ARG 40 4.495 5.341 -7.861
311 HH12 ARG 40 HH12 ARG 40 5.959 5.876 -7.112
312 HH21 ARG 40 HH21 ARG 40 5.451 4.259 -4.034
313 HH22 ARG 40 HH22 ARG 40 6.533 5.243 -4.984
314 HA PRO 41 HA PRO 41 -4.070 6.249 -5.969
315 HB2 PRO 41 HB2 PRO 41 -3.527 7.400 -3.538
316 HB3 PRO 41 HB3 PRO 41 -4.305 5.811 -3.746
317 HG2 PRO 41 HG2 PRO 41 -1.302 6.297 -3.314
318 HG3 PRO 41 HG3 PRO 41 -2.453 5.302 -2.359
319 HD2 PRO 41 HD2 PRO 41 -0.915 4.287 -4.339
320 HD3 PRO 41 HD3 PRO 41 -2.608 3.712 -4.135
321 H SER 42 H SER 42 -3.973 8.801 -5.285
322 HA SER 42 HA SER 42 -1.477 10.074 -5.882
323 HB2 SER 42 HB2 SER 42 -2.549 9.303 -8.135
324 HB3 SER 42 HB3 SER 42 -3.721 10.595 -7.877
325 HG SER 42 HG SER 42 -0.910 11.030 -7.710
326 H GLY 43 H GLY 43 -2.053 10.679 -3.692
327 HA2 GLY 43 HA2 GLY 43 -2.637 12.465 -2.290
328 HA3 GLY 43 HA3 GLY 43 -3.522 13.225 -3.631
Start of MODEL 6
1 H1 GLY 1 H GLY 1 12.650 -7.585 4.749
2 HA2 GLY 1 HA2 GLY 1 13.805 -7.799 2.035
3 HA3 GLY 1 HA3 GLY 1 12.539 -6.639 2.483
4 H LEU 2 H LEU 2 14.904 -5.809 1.359
5 HA LEU 2 HA LEU 2 16.948 -5.055 3.238
6 HB2 LEU 2 HB2 LEU 2 16.107 -4.154 0.459
7 HB3 LEU 2 HB3 LEU 2 17.374 -3.308 1.332
8 HG LEU 2 HG LEU 2 18.789 -5.232 1.432
9 HD11 LEU 2 HD11 LEU 2 16.585 -6.841 0.100
10 HD12 LEU 2 HD12 LEU 2 17.262 -7.110 1.723
11 HD13 LEU 2 HD13 LEU 2 18.269 -7.378 0.300
12 HD21 LEU 2 HD21 LEU 2 17.528 -5.010 -1.332
13 HD22 LEU 2 HD22 LEU 2 19.188 -5.554 -0.985
14 HD23 LEU 2 HD23 LEU 2 18.705 -3.876 -0.664
15 H GLU 3 H GLU 3 17.403 -2.875 4.006
16 HA GLU 3 HA GLU 3 14.946 -1.238 4.430
17 HB2 GLU 3 HB2 GLU 3 15.658 -0.728 6.623
18 HB3 GLU 3 HB3 GLU 3 15.613 -2.475 6.445
19 HG2 GLU 3 HG2 GLU 3 18.080 -2.536 6.184
20 HG3 GLU 3 HG3 GLU 3 18.139 -0.782 6.324
21 H HIS 4 H HIS 4 18.051 -1.203 2.992
22 HA HIS 4 HA HIS 4 18.714 1.512 3.599
23 HB2 HIS 4 HB2 HIS 4 20.105 -0.393 2.265
24 HB3 HIS 4 HB3 HIS 4 19.470 0.460 0.878
25 HD1 HIS 4 HD1 HIS 4 22.456 0.551 2.936
26 HD2 HIS 4 HD2 HIS 4 19.775 3.405 1.372
27 HE1 HIS 4 HE1 HIS 4 23.604 2.799 3.165
28 H MET 5 H MET 5 16.835 0.016 0.976
29 HA MET 5 HA MET 5 15.735 2.670 0.210
30 HB2 MET 5 HB2 MET 5 15.995 0.214 -1.586
31 HB3 MET 5 HB3 MET 5 15.453 1.831 -2.032
32 HG2 MET 5 HG2 MET 5 18.240 0.936 -1.240
33 HG3 MET 5 HG3 MET 5 17.709 1.508 -2.817
34 HE1 MET 5 HE1 MET 5 20.342 4.089 -1.308
35 HE2 MET 5 HE2 MET 5 20.257 2.342 -1.012
36 HE3 MET 5 HE3 MET 5 20.030 2.985 -2.655
37 H ALA 6 H ALA 6 13.897 2.715 1.401
38 HA ALA 6 HA ALA 6 11.933 0.513 1.094
39 HB1 ALA 6 HB1 ALA 6 11.280 0.809 3.472
40 HB2 ALA 6 HB2 ALA 6 12.899 0.100 3.294
41 HB3 ALA 6 HB3 ALA 6 12.722 1.809 3.740
42 H ASP 7 H ASP 7 11.281 1.916 -0.612
43 HA ASP 7 HA ASP 7 10.057 4.457 0.279
44 HB2 ASP 7 HB2 ASP 7 10.680 5.494 -1.648
45 HB3 ASP 7 HB3 ASP 7 12.126 4.619 -1.195
46 H GLU 8 H GLU 8 9.320 1.317 -0.766
47 HA GLU 8 HA GLU 8 7.217 1.890 -2.574
48 HB2 GLU 8 HB2 GLU 8 6.461 -0.344 -2.205
49 HB3 GLU 8 HB3 GLU 8 8.209 -0.336 -2.262
50 HG2 GLU 8 HG2 GLU 8 8.282 -0.467 0.242
51 HG3 GLU 8 HG3 GLU 8 6.517 -0.527 0.267
52 H GLU 9 H GLU 9 7.460 2.451 0.727
53 HA GLU 9 HA GLU 9 4.675 2.635 1.454
54 HB2 GLU 9 HB2 GLU 9 5.691 3.376 3.631
55 HB3 GLU 9 HB3 GLU 9 6.428 1.881 3.037
56 HG2 GLU 9 HG2 GLU 9 8.390 3.074 2.197
57 HG3 GLU 9 HG3 GLU 9 7.643 4.643 2.537
58 H LYS 10 H LYS 10 6.188 4.496 -0.565
59 HA LYS 10 HA LYS 10 6.034 7.129 0.535
60 HB2 LYS 10 HB2 LYS 10 6.422 7.994 -1.661
61 HB3 LYS 10 HB3 LYS 10 7.423 6.571 -1.472
62 HG2 LYS 10 HG2 LYS 10 5.919 5.226 -2.829
63 HG3 LYS 10 HG3 LYS 10 4.690 6.483 -2.832
64 HD2 LYS 10 HD2 LYS 10 7.356 6.615 -4.239
65 HD3 LYS 10 HD3 LYS 10 5.757 6.391 -4.959
66 HE2 LYS 10 HE2 LYS 10 5.066 8.633 -4.044
67 HE3 LYS 10 HE3 LYS 10 6.748 8.890 -3.541
68 HZ1 LYS 10 HZ1 LYS 10 5.859 8.444 -6.321
69 HZ2 LYS 10 HZ2 LYS 10 7.418 8.706 -5.830
70 HZ3 LYS 10 HZ3 LYS 10 6.285 9.886 -5.680
71 H LEU 11 H LEU 11 3.398 5.267 0.134
72 HA LEU 11 HA LEU 11 1.542 6.727 -1.284
73 HB2 LEU 11 HB2 LEU 11 1.421 4.849 1.112
74 HB3 LEU 11 HB3 LEU 11 -0.032 5.620 0.534
75 HG LEU 11 HG LEU 11 0.782 4.748 -1.830
76 HD11 LEU 11 HD11 LEU 11 1.915 2.583 -1.702
77 HD12 LEU 11 HD12 LEU 11 2.169 2.806 0.041
78 HD13 LEU 11 HD13 LEU 11 2.949 3.869 -1.132
79 HD21 LEU 11 HD21 LEU 11 -0.693 2.972 -1.663
80 HD22 LEU 11 HD22 LEU 11 -1.271 4.084 -0.465
81 HD23 LEU 11 HD23 LEU 11 -0.354 2.677 0.074
82 HA PRO 12 HA PRO 12 0.510 10.276 1.115
83 HB2 PRO 12 HB2 PRO 12 -2.144 10.616 0.413
84 HB3 PRO 12 HB3 PRO 12 -0.815 10.807 -0.762
85 HG2 PRO 12 HG2 PRO 12 -2.560 8.431 -0.172
86 HG3 PRO 12 HG3 PRO 12 -2.227 9.128 -1.785
87 HD2 PRO 12 HD2 PRO 12 -0.897 6.993 -0.845
88 HD3 PRO 12 HD3 PRO 12 -0.056 8.224 -1.838
89 HA PRO 13 HA PRO 13 -1.168 8.906 4.952
90 HB2 PRO 13 HB2 PRO 13 -2.846 10.832 5.942
91 HB3 PRO 13 HB3 PRO 13 -1.072 11.024 5.855
92 HG2 PRO 13 HG2 PRO 13 -3.145 11.997 3.879
93 HG3 PRO 13 HG3 PRO 13 -1.803 12.917 4.603
94 HD2 PRO 13 HD2 PRO 13 -1.563 11.825 2.139
95 HD3 PRO 13 HD3 PRO 13 -0.181 11.772 3.272
96 H GLY 14 H GLY 14 -3.119 8.133 6.119
97 HA2 GLY 14 HA2 GLY 14 -5.123 7.203 6.277
98 HA3 GLY 14 HA3 GLY 14 -5.688 8.040 4.813
99 H TRP 15 H TRP 15 -3.219 6.796 3.361
100 HA TRP 15 HA TRP 15 -4.528 4.230 2.720
101 HB2 TRP 15 HB2 TRP 15 -2.212 5.669 1.424
102 HB3 TRP 15 HB3 TRP 15 -2.709 4.031 1.060
103 HD1 TRP 15 HD1 TRP 15 -4.215 7.595 0.867
104 HE1 TRP 15 HE1 TRP 15 -5.824 7.695 -1.132
105 HE3 TRP 15 HE3 TRP 15 -4.217 2.668 -0.486
106 HZ2 TRP 15 HZ2 TRP 15 -7.237 5.880 -2.784
107 HZ3 TRP 15 HZ3 TRP 15 -5.741 1.870 -2.289
108 HH2 TRP 15 HH2 TRP 15 -7.297 3.463 -3.399
109 H GLU 16 H GLU 16 -3.301 2.316 2.593
110 HA GLU 16 HA GLU 16 -0.960 2.114 4.371
111 HB2 GLU 16 HB2 GLU 16 -3.710 1.252 4.962
112 HB3 GLU 16 HB3 GLU 16 -2.625 -0.138 4.894
113 HG2 GLU 16 HG2 GLU 16 -2.013 2.382 6.491
114 HG3 GLU 16 HG3 GLU 16 -2.869 0.992 7.136
115 H LYS 17 H LYS 17 0.543 0.815 3.512
116 HA LYS 17 HA LYS 17 -0.082 -0.570 0.960
117 HB2 LYS 17 HB2 LYS 17 1.850 1.038 1.317
118 HB3 LYS 17 HB3 LYS 17 2.606 -0.186 2.320
119 HG2 LYS 17 HG2 LYS 17 1.827 -0.373 -0.573
120 HG3 LYS 17 HG3 LYS 17 3.464 -0.132 -0.003
121 HD2 LYS 17 HD2 LYS 17 1.809 -2.679 0.400
122 HD3 LYS 17 HD3 LYS 17 2.866 -2.356 -0.941
123 HE2 LYS 17 HE2 LYS 17 4.068 -3.742 0.601
124 HE3 LYS 17 HE3 LYS 17 4.840 -2.166 0.486
125 HZ1 LYS 17 HZ1 LYS 17 3.064 -2.944 2.723
126 HZ2 LYS 17 HZ2 LYS 17 4.011 -1.596 2.649
127 HZ3 LYS 17 HZ3 LYS 17 4.700 -3.059 2.740
128 H ARG 18 H ARG 18 -0.922 -2.544 1.335
129 HA ARG 18 HA ARG 18 0.436 -4.302 3.321
130 HB2 ARG 18 HB2 ARG 18 -2.573 -4.423 2.883
131 HB3 ARG 18 HB3 ARG 18 -1.587 -5.199 4.118
132 HG2 ARG 18 HG2 ARG 18 -0.966 -2.780 4.835
133 HG3 ARG 18 HG3 ARG 18 -2.400 -2.294 3.914
134 HD2 ARG 18 HD2 ARG 18 -3.822 -3.619 5.301
135 HD3 ARG 18 HD3 ARG 18 -2.458 -4.480 6.035
136 HE ARG 18 HE ARG 18 -1.836 -1.900 6.591
137 HH11 ARG 18 HH11 ARG 18 -4.719 -3.809 7.421
138 HH12 ARG 18 HH12 ARG 18 -4.875 -3.012 8.975
139 HH21 ARG 18 HH21 ARG 18 -2.016 -0.967 8.435
140 HH22 ARG 18 HH22 ARG 18 -3.322 -1.277 9.574
141 H MET 19 H MET 19 -0.750 -6.552 2.996
142 HA MET 19 HA MET 19 -0.611 -7.311 0.155
143 HB2 MET 19 HB2 MET 19 1.547 -7.634 1.468
144 HB3 MET 19 HB3 MET 19 0.682 -8.850 2.433
145 HG2 MET 19 HG2 MET 19 0.147 -10.020 0.269
146 HG3 MET 19 HG3 MET 19 1.183 -8.856 -0.564
147 HE1 MET 19 HE1 MET 19 4.712 -9.653 1.084
148 HE2 MET 19 HE2 MET 19 3.856 -8.610 -0.058
149 HE3 MET 19 HE3 MET 19 3.510 -8.492 1.679
150 H SER 20 H SER 20 -2.174 -8.731 -0.368
151 HA SER 20 HA SER 20 -4.506 -9.040 1.188
152 HB2 SER 20 HB2 SER 20 -4.461 -9.059 -1.263
153 HB3 SER 20 HB3 SER 20 -3.364 -10.438 -1.257
154 HG SER 20 HG SER 20 -5.268 -11.268 -1.677
155 H ARG 21 H ARG 21 -4.814 -10.367 2.884
156 HA ARG 21 HA ARG 21 -2.985 -12.375 3.750
157 HB2 ARG 21 HB2 ARG 21 -4.415 -11.265 5.311
158 HB3 ARG 21 HB3 ARG 21 -5.880 -11.703 4.434
159 HG2 ARG 21 HG2 ARG 21 -5.707 -14.006 5.106
160 HG3 ARG 21 HG3 ARG 21 -4.121 -13.761 5.818
161 HD2 ARG 21 HD2 ARG 21 -6.675 -12.388 6.757
162 HD3 ARG 21 HD3 ARG 21 -6.041 -13.876 7.452
163 HE ARG 21 HE ARG 21 -3.899 -12.286 7.735
164 HH11 ARG 21 HH11 ARG 21 -7.322 -11.910 8.743
165 HH12 ARG 21 HH12 ARG 21 -6.909 -11.233 10.287
166 HH21 ARG 21 HH21 ARG 21 -3.443 -11.129 9.702
167 HH22 ARG 21 HH22 ARG 21 -4.701 -10.971 10.892
168 H SER 22 H SER 22 -5.588 -12.469 1.463
169 HA SER 22 HA SER 22 -6.226 -15.229 1.471
170 HB2 SER 22 HB2 SER 22 -7.619 -13.319 0.679
171 HB3 SER 22 HB3 SER 22 -6.491 -13.070 -0.659
172 HG SER 22 HG SER 22 -8.240 -15.235 -0.189
173 H SER 23 H SER 23 -4.013 -13.359 -0.776
174 HA SER 23 HA SER 23 -2.804 -15.996 -1.440
175 HB2 SER 23 HB2 SER 23 -4.571 -15.253 -3.076
176 HB3 SER 23 HB3 SER 23 -3.499 -13.914 -3.524
177 HG SER 23 HG SER 23 -2.518 -16.556 -3.504
178 H GLY 24 H GLY 24 -1.969 -12.979 -0.204
179 HA2 GLY 24 HA2 GLY 24 0.156 -12.203 0.222
180 HA3 GLY 24 HA3 GLY 24 0.845 -13.573 -0.681
181 H ARG 25 H ARG 25 -1.456 -10.968 -1.471
182 HA ARG 25 HA ARG 25 0.153 -10.213 -3.851
183 HB2 ARG 25 HB2 ARG 25 -2.791 -10.652 -3.333
184 HB3 ARG 25 HB3 ARG 25 -2.298 -9.540 -4.572
185 HG2 ARG 25 HG2 ARG 25 -1.203 -12.378 -4.418
186 HG3 ARG 25 HG3 ARG 25 -2.684 -11.980 -5.293
187 HD2 ARG 25 HD2 ARG 25 -1.537 -10.521 -6.807
188 HD3 ARG 25 HD3 ARG 25 -0.062 -10.530 -5.834
189 HE ARG 25 HE ARG 25 -0.563 -13.190 -6.542
190 HH11 ARG 25 HH11 ARG 25 0.498 -10.098 -7.940
191 HH12 ARG 25 HH12 ARG 25 1.155 -10.776 -9.386
192 HH21 ARG 25 HH21 ARG 25 0.538 -14.172 -8.388
193 HH22 ARG 25 HH22 ARG 25 1.427 -13.141 -9.460
194 H VAL 26 H VAL 26 1.133 -8.312 -3.613
195 HA VAL 26 HA VAL 26 0.478 -6.528 -1.458
196 HB VAL 26 HB VAL 26 2.315 -6.221 -3.868
197 HG11 VAL 26 HG11 VAL 26 2.054 -4.546 -1.325
198 HG12 VAL 26 HG12 VAL 26 3.408 -4.429 -2.471
199 HG13 VAL 26 HG13 VAL 26 1.784 -3.976 -2.994
200 HG21 VAL 26 HG21 VAL 26 2.925 -8.025 -2.209
201 HG22 VAL 26 HG22 VAL 26 4.087 -6.705 -2.264
202 HG23 VAL 26 HG23 VAL 26 2.924 -6.799 -0.927
203 H TYR 27 H TYR 27 -0.630 -4.633 -1.418
204 HA TYR 27 HA TYR 27 -1.557 -3.315 -3.793
205 HB2 TYR 27 HB2 TYR 27 -3.886 -3.657 -3.612
206 HB3 TYR 27 HB3 TYR 27 -3.209 -5.261 -3.596
207 HD1 TYR 27 HD1 TYR 27 -2.710 -6.201 -1.055
208 HD2 TYR 27 HD2 TYR 27 -5.562 -3.145 -2.112
209 HE1 TYR 27 HE1 TYR 27 -3.918 -6.607 1.066
210 HE2 TYR 27 HE2 TYR 27 -6.760 -3.540 0.003
211 HH TYR 27 HH TYR 27 -5.540 -5.587 2.571
212 H TYR 28 H TYR 28 -3.162 -1.494 -2.985
213 HA TYR 28 HA TYR 28 -2.134 -0.379 -0.430
214 HB2 TYR 28 HB2 TYR 28 -3.364 1.062 -2.794
215 HB3 TYR 28 HB3 TYR 28 -2.457 1.740 -1.459
216 HD1 TYR 28 HD2 TYR 28 0.027 0.625 -1.202
217 HD2 TYR 28 HD1 TYR 28 -2.251 0.849 -4.837
218 HE1 TYR 28 HE2 TYR 28 2.149 0.495 -2.525
219 HE2 TYR 28 HE1 TYR 28 -0.135 0.660 -6.150
220 HH TYR 28 HH TYR 28 3.056 0.154 -4.713
221 H PHE 29 H PHE 29 -3.652 0.312 1.106
222 HA PHE 29 HA PHE 29 -6.556 0.093 0.465
223 HB2 PHE 29 HB2 PHE 29 -6.137 -1.943 1.588
224 HB3 PHE 29 HB3 PHE 29 -4.965 -1.204 2.668
225 HD1 PHE 29 HD2 PHE 29 -8.573 -0.156 1.959
226 HD2 PHE 29 HD1 PHE 29 -5.681 -1.603 4.831
227 HE1 PHE 29 HE2 PHE 29 -10.206 0.139 3.761
228 HE2 PHE 29 HE1 PHE 29 -7.349 -1.316 6.636
229 HZ PHE 29 HZ PHE 29 -9.619 -0.426 6.109
230 H ASN 30 H ASN 30 -7.460 1.970 0.763
231 HA ASN 30 HA ASN 30 -6.363 4.027 2.532
232 HB2 ASN 30 HB2 ASN 30 -7.352 4.275 0.122
233 HB3 ASN 30 HB3 ASN 30 -8.878 4.240 0.942
234 HD21 ASN 30 HD21 ASN 30 -8.235 6.659 -0.353
235 HD22 ASN 30 HD22 ASN 30 -7.857 7.845 0.874
236 H HIS 31 H HIS 31 -6.717 3.469 4.637
237 HA HIS 31 HA HIS 31 -9.278 2.252 5.380
238 HB2 HIS 31 HB2 HIS 31 -8.432 2.175 7.616
239 HB3 HIS 31 HB3 HIS 31 -7.225 1.561 6.499
240 HD1 HIS 31 HD1 HIS 31 -7.815 4.572 8.872
241 HD2 HIS 31 HD2 HIS 31 -4.875 2.819 6.374
242 HE1 HIS 31 HE1 HIS 31 -5.609 5.678 9.433
243 H ILE 32 H ILE 32 -8.280 5.435 4.747
244 HA ILE 32 HA ILE 32 -9.944 6.778 6.722
245 HB ILE 32 HB ILE 32 -7.872 7.383 4.757
246 HG12 ILE 32 HG12 ILE 32 -7.391 9.261 6.194
247 HG13 ILE 32 HG13 ILE 32 -8.950 9.110 7.009
248 HG21 ILE 32 HG21 ILE 32 -9.422 8.438 3.303
249 HG22 ILE 32 HG22 ILE 32 -10.130 9.365 4.643
250 HG23 ILE 32 HG23 ILE 32 -8.468 9.665 4.124
251 HD11 ILE 32 HD11 ILE 32 -8.266 7.164 8.180
252 HD12 ILE 32 HD12 ILE 32 -7.011 6.778 6.988
253 HD13 ILE 32 HD13 ILE 32 -6.773 8.123 8.123
254 H THR 33 H THR 33 -10.256 5.769 3.375
255 HA THR 33 HA THR 33 -13.121 6.686 3.399
256 HB THR 33 HB THR 33 -11.418 8.011 2.060
257 HG1 THR 33 HG1 THR 33 -12.727 8.000 0.119
258 HG21 THR 33 HG21 THR 33 -11.627 5.772 0.088
259 HG22 THR 33 HG22 THR 33 -10.288 5.931 1.248
260 HG23 THR 33 HG23 THR 33 -10.567 7.200 0.044
261 H ASN 34 H ASN 34 -11.301 3.973 3.571
262 HA ASN 34 HA ASN 34 -11.543 1.807 3.105
263 HB2 ASN 34 HB2 ASN 34 -13.640 2.403 4.310
264 HB3 ASN 34 HB3 ASN 34 -14.488 2.421 2.771
265 HD21 ASN 34 HD21 ASN 34 -15.750 0.573 2.960
266 HD22 ASN 34 HD22 ASN 34 -15.072 -1.051 3.038
267 H ALA 35 H ALA 35 -10.520 3.058 1.088
268 HA ALA 35 HA ALA 35 -11.719 1.788 -1.363
269 HB1 ALA 35 HB1 ALA 35 -10.615 3.660 -2.578
270 HB2 ALA 35 HB2 ALA 35 -11.862 4.210 -1.422
271 HB3 ALA 35 HB3 ALA 35 -10.121 4.371 -1.037
272 H SER 36 H SER 36 -10.379 0.140 -2.067
273 HA SER 36 HA SER 36 -7.454 0.438 -1.649
274 HB2 SER 36 HB2 SER 36 -7.186 -1.728 -0.882
275 HB3 SER 36 HB3 SER 36 -8.546 -1.112 0.040
276 HG SER 36 HG SER 36 -9.925 -2.299 -1.405
277 H GLN 37 H GLN 37 -6.081 -0.371 -3.212
278 HA GLN 37 HA GLN 37 -7.050 -1.982 -5.408
279 HB2 GLN 37 HB2 GLN 37 -6.496 -0.199 -7.146
280 HB3 GLN 37 HB3 GLN 37 -7.998 0.037 -6.249
281 HG2 GLN 37 HG2 GLN 37 -7.017 1.748 -4.860
282 HG3 GLN 37 HG3 GLN 37 -5.409 1.440 -5.511
283 HE21 GLN 37 HE21 GLN 37 -4.909 3.321 -6.583
284 HE22 GLN 37 HE22 GLN 37 -5.972 4.210 -7.663
285 H TRP 38 H TRP 38 -5.265 -2.533 -6.897
286 HA TRP 38 HA TRP 38 -2.650 -2.665 -5.596
287 HB2 TRP 38 HB2 TRP 38 -2.135 -3.405 -8.092
288 HB3 TRP 38 HB3 TRP 38 -2.938 -4.521 -6.965
289 HD1 TRP 38 HD1 TRP 38 -4.178 -1.835 -9.531
290 HE1 TRP 38 HE1 TRP 38 -6.302 -2.643 -10.627
291 HE3 TRP 38 HE3 TRP 38 -4.519 -6.459 -7.339
292 HZ2 TRP 38 HZ2 TRP 38 -7.781 -5.123 -10.842
293 HZ3 TRP 38 HZ3 TRP 38 -6.300 -8.030 -8.036
294 HH2 TRP 38 HH2 TRP 38 -7.935 -7.379 -9.799
295 H GLU 39 H GLU 39 -4.334 -0.469 -7.617
296 HA GLU 39 HA GLU 39 -2.078 0.564 -9.070
297 HB2 GLU 39 HB2 GLU 39 -4.401 0.405 -9.941
298 HB3 GLU 39 HB3 GLU 39 -4.893 1.628 -8.783
299 HG2 GLU 39 HG2 GLU 39 -3.287 3.235 -9.777
300 HG3 GLU 39 HG3 GLU 39 -2.703 1.972 -10.881
301 H ARG 40 H ARG 40 -0.780 1.994 -8.360
302 HA ARG 40 HA ARG 40 -0.606 3.069 -5.826
303 HB2 ARG 40 HB2 ARG 40 0.697 3.562 -8.354
304 HB3 ARG 40 HB3 ARG 40 0.455 5.087 -7.560
305 HG2 ARG 40 HG2 ARG 40 2.172 4.776 -6.232
306 HG3 ARG 40 HG3 ARG 40 1.521 3.275 -5.572
307 HD2 ARG 40 HD2 ARG 40 2.587 1.943 -7.248
308 HD3 ARG 40 HD3 ARG 40 2.914 3.338 -8.271
309 HE ARG 40 HE ARG 40 4.528 2.367 -6.086
310 HH11 ARG 40 HH11 ARG 40 3.717 5.422 -7.809
311 HH12 ARG 40 HH12 ARG 40 5.335 6.032 -7.600
312 HH21 ARG 40 HH21 ARG 40 6.571 3.274 -5.864
313 HH22 ARG 40 HH22 ARG 40 6.938 4.853 -6.513
314 HA PRO 41 HA PRO 41 -3.872 6.218 -5.615
315 HB2 PRO 41 HB2 PRO 41 -3.399 7.117 -3.093
316 HB3 PRO 41 HB3 PRO 41 -4.018 5.477 -3.442
317 HG2 PRO 41 HG2 PRO 41 -1.149 6.302 -2.892
318 HG3 PRO 41 HG3 PRO 41 -2.145 5.016 -2.120
319 HD2 PRO 41 HD2 PRO 41 -0.400 4.567 -4.205
320 HD3 PRO 41 HD3 PRO 41 -1.906 3.620 -3.992
321 H SER 42 H SER 42 -3.761 8.773 -4.586
322 HA SER 42 HA SER 42 -1.255 10.070 -5.113
323 HB2 SER 42 HB2 SER 42 -3.466 10.660 -7.083
324 HB3 SER 42 HB3 SER 42 -1.849 11.349 -7.061
325 HG SER 42 HG SER 42 -1.560 8.735 -7.253
326 H GLY 43 H GLY 43 -2.193 10.519 -2.824
327 HA2 GLY 43 HA2 GLY 43 -2.448 12.950 -2.019
328 HA3 GLY 43 HA3 GLY 43 -3.960 12.927 -2.918
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.721 -0.895 -11.870
2 HA2 GLY 1 HA2 GLY 1 5.056 -1.451 -11.318
3 HA3 GLY 1 HA3 GLY 1 4.101 -1.036 -9.888
4 H LEU 2 H LEU 2 6.471 -2.978 -10.599
5 HA LEU 2 HA LEU 2 5.427 -5.466 -9.326
6 HB2 LEU 2 HB2 LEU 2 7.575 -4.872 -11.374
7 HB3 LEU 2 HB3 LEU 2 7.853 -6.145 -10.201
8 HG LEU 2 HG LEU 2 5.940 -7.397 -10.868
9 HD11 LEU 2 HD11 LEU 2 4.346 -5.691 -11.538
10 HD12 LEU 2 HD12 LEU 2 4.614 -6.790 -12.891
11 HD13 LEU 2 HD13 LEU 2 5.391 -5.190 -12.896
12 HD21 LEU 2 HD21 LEU 2 6.692 -8.048 -13.109
13 HD22 LEU 2 HD22 LEU 2 8.095 -7.678 -12.092
14 HD23 LEU 2 HD23 LEU 2 7.541 -6.507 -13.301
15 H GLU 3 H GLU 3 5.411 -4.485 -7.317
16 HA GLU 3 HA GLU 3 7.219 -2.787 -6.137
17 HB2 GLU 3 HB2 GLU 3 5.687 -5.069 -4.814
18 HB3 GLU 3 HB3 GLU 3 6.407 -3.708 -3.954
19 HG2 GLU 3 HG2 GLU 3 4.193 -3.540 -6.033
20 HG3 GLU 3 HG3 GLU 3 3.997 -3.389 -4.287
21 H HIS 4 H HIS 4 8.974 -2.810 -4.958
22 HA HIS 4 HA HIS 4 10.632 -5.257 -4.891
23 HB2 HIS 4 HB2 HIS 4 11.423 -2.315 -4.863
24 HB3 HIS 4 HB3 HIS 4 12.541 -3.666 -4.698
25 HD1 HIS 4 HD1 HIS 4 13.426 -4.714 -7.010
26 HD2 HIS 4 HD2 HIS 4 10.109 -2.098 -7.324
27 HE1 HIS 4 HE1 HIS 4 13.011 -4.371 -9.458
28 H MET 5 H MET 5 10.536 -2.231 -2.917
29 HA MET 5 HA MET 5 9.805 -3.769 -0.520
30 HB2 MET 5 HB2 MET 5 12.461 -2.315 -0.850
31 HB3 MET 5 HB3 MET 5 11.720 -2.633 0.712
32 HG2 MET 5 HG2 MET 5 12.580 -4.740 -1.277
33 HG3 MET 5 HG3 MET 5 13.393 -4.312 0.229
34 HE1 MET 5 HE1 MET 5 13.286 -7.132 0.527
35 HE2 MET 5 HE2 MET 5 11.725 -7.983 0.561
36 HE3 MET 5 HE3 MET 5 12.274 -7.205 -0.929
37 H ALA 6 H ALA 6 7.936 -2.583 -0.821
38 HA ALA 6 HA ALA 6 7.854 0.316 -0.915
39 HB1 ALA 6 HB1 ALA 6 5.698 -1.732 -0.282
40 HB2 ALA 6 HB2 ALA 6 5.440 0.013 -0.433
41 HB3 ALA 6 HB3 ALA 6 6.004 -0.926 -1.838
42 H ASP 7 H ASP 7 9.327 0.720 0.886
43 HA ASP 7 HA ASP 7 7.976 0.774 3.550
44 HB2 ASP 7 HB2 ASP 7 10.877 0.164 2.918
45 HB3 ASP 7 HB3 ASP 7 10.359 0.767 4.494
46 H GLU 8 H GLU 8 8.158 2.630 1.063
47 HA GLU 8 HA GLU 8 9.877 4.781 1.916
48 HB2 GLU 8 HB2 GLU 8 8.716 6.209 0.323
49 HB3 GLU 8 HB3 GLU 8 9.356 4.748 -0.401
50 HG2 GLU 8 HG2 GLU 8 6.435 4.954 0.445
51 HG3 GLU 8 HG3 GLU 8 7.003 5.631 -1.077
52 H GLU 9 H GLU 9 6.717 3.825 2.814
53 HA GLU 9 HA GLU 9 5.036 4.860 4.036
54 HB2 GLU 9 HB2 GLU 9 6.798 3.831 5.567
55 HB3 GLU 9 HB3 GLU 9 7.330 5.486 5.922
56 HG2 GLU 9 HG2 GLU 9 4.937 6.005 6.605
57 HG3 GLU 9 HG3 GLU 9 4.519 4.326 6.315
58 H LYS 10 H LYS 10 5.523 6.544 2.088
59 HA LYS 10 HA LYS 10 5.328 9.243 3.315
60 HB2 LYS 10 HB2 LYS 10 6.909 8.292 0.920
61 HB3 LYS 10 HB3 LYS 10 6.309 9.938 0.898
62 HG2 LYS 10 HG2 LYS 10 7.885 8.979 3.301
63 HG3 LYS 10 HG3 LYS 10 8.692 9.447 1.797
64 HD2 LYS 10 HD2 LYS 10 8.652 11.309 3.317
65 HD3 LYS 10 HD3 LYS 10 7.695 11.673 1.874
66 HE2 LYS 10 HE2 LYS 10 5.611 11.162 3.159
67 HE3 LYS 10 HE3 LYS 10 6.601 10.814 4.594
68 HZ1 LYS 10 HZ1 LYS 10 6.350 13.410 3.202
69 HZ2 LYS 10 HZ2 LYS 10 7.393 13.115 4.441
70 HZ3 LYS 10 HZ3 LYS 10 5.794 13.025 4.720
71 H LEU 11 H LEU 11 3.291 7.106 2.477
72 HA LEU 11 HA LEU 11 1.953 8.119 0.200
73 HB2 LEU 11 HB2 LEU 11 1.431 6.131 2.431
74 HB3 LEU 11 HB3 LEU 11 0.090 6.667 1.472
75 HG LEU 11 HG LEU 11 1.483 6.094 -0.604
76 HD11 LEU 11 HD11 LEU 11 3.188 4.550 1.401
77 HD12 LEU 11 HD12 LEU 11 3.743 5.882 0.359
78 HD13 LEU 11 HD13 LEU 11 3.228 4.381 -0.368
79 HD21 LEU 11 HD21 LEU 11 0.751 3.770 1.204
80 HD22 LEU 11 HD22 LEU 11 0.695 3.863 -0.588
81 HD23 LEU 11 HD23 LEU 11 -0.433 4.782 0.378
82 HA PRO 12 HA PRO 12 -0.446 11.424 1.871
83 HB2 PRO 12 HB2 PRO 12 -2.774 11.236 0.401
84 HB3 PRO 12 HB3 PRO 12 -1.197 11.605 -0.366
85 HG2 PRO 12 HG2 PRO 12 -2.597 8.948 -0.055
86 HG3 PRO 12 HG3 PRO 12 -1.939 9.617 -1.564
87 HD2 PRO 12 HD2 PRO 12 -0.609 7.866 -0.069
88 HD3 PRO 12 HD3 PRO 12 0.261 9.188 -0.922
89 HA PRO 13 HA PRO 13 -3.039 9.944 5.126
90 HB2 PRO 13 HB2 PRO 13 -5.145 11.702 5.333
91 HB3 PRO 13 HB3 PRO 13 -3.470 12.099 5.826
92 HG2 PRO 13 HG2 PRO 13 -4.826 12.728 3.180
93 HG3 PRO 13 HG3 PRO 13 -3.908 13.845 4.238
94 HD2 PRO 13 HD2 PRO 13 -2.726 12.685 2.117
95 HD3 PRO 13 HD3 PRO 13 -1.832 12.815 3.664
96 H GLY 14 H GLY 14 -4.943 8.681 5.556
97 HA2 GLY 14 HA2 GLY 14 -6.964 7.708 5.066
98 HA3 GLY 14 HA3 GLY 14 -6.893 8.247 3.388
99 H TRP 15 H TRP 15 -3.992 7.364 3.228
100 HA TRP 15 HA TRP 15 -4.525 4.500 2.695
101 HB2 TRP 15 HB2 TRP 15 -2.265 6.329 1.801
102 HB3 TRP 15 HB3 TRP 15 -2.269 4.599 1.582
103 HD1 TRP 15 HD1 TRP 15 -4.163 7.694 0.341
104 HE1 TRP 15 HE1 TRP 15 -5.172 7.216 -1.955
105 HE3 TRP 15 HE3 TRP 15 -3.061 2.734 0.022
106 HZ2 TRP 15 HZ2 TRP 15 -5.522 4.934 -3.690
107 HZ3 TRP 15 HZ3 TRP 15 -3.707 1.420 -1.999
108 HH2 TRP 15 HH2 TRP 15 -4.976 2.507 -3.837
109 H GLU 16 H GLU 16 -3.054 2.976 3.291
110 HA GLU 16 HA GLU 16 -1.176 3.416 5.536
111 HB2 GLU 16 HB2 GLU 16 -3.671 1.719 5.489
112 HB3 GLU 16 HB3 GLU 16 -2.307 1.259 6.497
113 HG2 GLU 16 HG2 GLU 16 -3.356 4.086 6.701
114 HG3 GLU 16 HG3 GLU 16 -4.263 2.787 7.455
115 H LYS 17 H LYS 17 0.594 2.228 5.185
116 HA LYS 17 HA LYS 17 0.755 0.491 2.785
117 HB2 LYS 17 HB2 LYS 17 2.489 2.233 3.503
118 HB3 LYS 17 HB3 LYS 17 2.915 1.158 4.829
119 HG2 LYS 17 HG2 LYS 17 2.963 0.383 1.899
120 HG3 LYS 17 HG3 LYS 17 4.352 1.050 2.735
121 HD2 LYS 17 HD2 LYS 17 3.021 -1.635 3.375
122 HD3 LYS 17 HD3 LYS 17 4.400 -1.332 2.363
123 HE2 LYS 17 HE2 LYS 17 5.489 -1.906 4.278
124 HE3 LYS 17 HE3 LYS 17 5.477 -0.146 4.383
125 HZ1 LYS 17 HZ1 LYS 17 3.468 -0.431 5.866
126 HZ2 LYS 17 HZ2 LYS 17 4.849 -1.079 6.475
127 HZ3 LYS 17 HZ3 LYS 17 3.715 -2.048 5.806
128 H ARG 18 H ARG 18 0.057 -1.612 3.048
129 HA ARG 18 HA ARG 18 0.699 -2.975 5.601
130 HB2 ARG 18 HB2 ARG 18 -2.003 -3.178 4.221
131 HB3 ARG 18 HB3 ARG 18 -1.464 -4.030 5.680
132 HG2 ARG 18 HG2 ARG 18 -0.983 -1.585 6.597
133 HG3 ARG 18 HG3 ARG 18 -2.141 -1.107 5.345
134 HD2 ARG 18 HD2 ARG 18 -3.776 -2.725 6.332
135 HD3 ARG 18 HD3 ARG 18 -2.593 -3.123 7.589
136 HE ARG 18 HE ARG 18 -4.261 -0.729 7.366
137 HH11 ARG 18 HH11 ARG 18 -1.317 -1.971 8.943
138 HH12 ARG 18 HH12 ARG 18 -1.405 -0.877 10.257
139 HH21 ARG 18 HH21 ARG 18 -4.353 0.710 8.946
140 HH22 ARG 18 HH22 ARG 18 -3.183 0.793 10.237
141 H MET 19 H MET 19 -0.216 -5.500 5.127
142 HA MET 19 HA MET 19 1.276 -6.369 2.707
143 HB2 MET 19 HB2 MET 19 2.620 -6.342 4.865
144 HB3 MET 19 HB3 MET 19 1.498 -7.554 5.498
145 HG2 MET 19 HG2 MET 19 2.113 -8.990 3.498
146 HG3 MET 19 HG3 MET 19 3.364 -7.797 3.119
147 HE1 MET 19 HE1 MET 19 5.213 -7.087 4.905
148 HE2 MET 19 HE2 MET 19 4.222 -7.089 6.383
149 HE3 MET 19 HE3 MET 19 5.694 -8.073 6.293
150 H SER 20 H SER 20 0.542 -8.294 1.776
151 HA SER 20 HA SER 20 -2.204 -8.998 2.197
152 HB2 SER 20 HB2 SER 20 -0.724 -8.957 0.058
153 HB3 SER 20 HB3 SER 20 -0.153 -10.542 0.593
154 HG SER 20 HG SER 20 -2.370 -9.853 -0.651
155 H ARG 21 H ARG 21 -2.901 -10.239 3.878
156 HA ARG 21 HA ARG 21 -1.117 -11.799 5.501
157 HB2 ARG 21 HB2 ARG 21 -3.358 -10.760 6.154
158 HB3 ARG 21 HB3 ARG 21 -4.120 -12.094 5.269
159 HG2 ARG 21 HG2 ARG 21 -3.134 -13.727 6.802
160 HG3 ARG 21 HG3 ARG 21 -2.194 -12.464 7.587
161 HD2 ARG 21 HD2 ARG 21 -4.063 -13.045 8.985
162 HD3 ARG 21 HD3 ARG 21 -4.293 -11.397 8.379
163 HE ARG 21 HE ARG 21 -5.737 -12.663 6.566
164 HH11 ARG 21 HH11 ARG 21 -5.781 -13.203 10.141
165 HH12 ARG 21 HH12 ARG 21 -7.461 -13.530 10.156
166 HH21 ARG 21 HH21 ARG 21 -7.934 -13.270 6.636
167 HH22 ARG 21 HH22 ARG 21 -8.639 -13.806 8.100
168 H SER 22 H SER 22 -2.702 -12.426 2.419
169 HA SER 22 HA SER 22 -3.052 -15.172 2.474
170 HB2 SER 22 HB2 SER 22 -2.131 -13.684 0.011
171 HB3 SER 22 HB3 SER 22 -3.380 -14.926 0.177
172 HG SER 22 HG SER 22 -4.807 -13.407 0.859
173 H SER 23 H SER 23 -0.154 -13.370 1.181
174 HA SER 23 HA SER 23 1.472 -15.783 1.854
175 HB2 SER 23 HB2 SER 23 2.103 -14.265 -0.642
176 HB3 SER 23 HB3 SER 23 2.491 -15.927 -0.207
177 HG SER 23 HG SER 23 0.426 -16.553 -0.648
178 H GLY 24 H GLY 24 1.283 -12.301 2.018
179 HA2 GLY 24 HA2 GLY 24 2.731 -11.207 3.579
180 HA3 GLY 24 HA3 GLY 24 4.076 -12.218 3.061
181 H ARG 25 H ARG 25 1.875 -10.860 0.599
182 HA ARG 25 HA ARG 25 4.149 -9.432 -0.571
183 HB2 ARG 25 HB2 ARG 25 1.258 -9.995 -1.354
184 HB3 ARG 25 HB3 ARG 25 2.211 -8.822 -2.213
185 HG2 ARG 25 HG2 ARG 25 2.860 -11.797 -1.867
186 HG3 ARG 25 HG3 ARG 25 2.218 -11.025 -3.318
187 HD2 ARG 25 HD2 ARG 25 4.389 -9.639 -3.356
188 HD3 ARG 25 HD3 ARG 25 5.019 -10.780 -2.158
189 HE ARG 25 HE ARG 25 4.053 -11.435 -4.914
190 HH11 ARG 25 HH11 ARG 25 6.311 -12.379 -2.268
191 HH12 ARG 25 HH12 ARG 25 6.793 -13.807 -3.112
192 HH21 ARG 25 HH21 ARG 25 4.736 -13.192 -5.931
193 HH22 ARG 25 HH22 ARG 25 5.791 -14.366 -5.195
194 H VAL 26 H VAL 26 4.604 -7.329 -0.172
195 HA VAL 26 HA VAL 26 2.908 -5.769 1.578
196 HB VAL 26 HB VAL 26 5.401 -5.018 -0.011
197 HG11 VAL 26 HG11 VAL 26 4.138 -3.070 0.855
198 HG12 VAL 26 HG12 VAL 26 4.138 -3.792 2.481
199 HG13 VAL 26 HG13 VAL 26 5.665 -3.281 1.724
200 HG21 VAL 26 HG21 VAL 26 6.586 -5.420 2.168
201 HG22 VAL 26 HG22 VAL 26 5.098 -6.108 2.831
202 HG23 VAL 26 HG23 VAL 26 5.939 -6.910 1.484
203 H TYR 27 H TYR 27 1.470 -4.040 1.001
204 HA TYR 27 HA TYR 27 1.459 -2.936 -1.639
205 HB2 TYR 27 HB2 TYR 27 -0.644 -3.643 -2.441
206 HB3 TYR 27 HB3 TYR 27 0.230 -5.113 -2.024
207 HD1 TYR 27 HD1 TYR 27 -0.323 -6.376 0.019
208 HD2 TYR 27 HD2 TYR 27 -2.668 -3.048 -1.293
209 HE1 TYR 27 HE1 TYR 27 -2.069 -6.995 1.611
210 HE2 TYR 27 HE2 TYR 27 -4.426 -3.600 0.394
211 HH TYR 27 HH TYR 27 -5.050 -5.040 2.136
212 H TYR 28 H TYR 28 -0.360 -1.164 -1.763
213 HA TYR 28 HA TYR 28 -0.565 0.053 0.932
214 HB2 TYR 28 HB2 TYR 28 -1.259 1.242 -1.762
215 HB3 TYR 28 HB3 TYR 28 -0.966 2.078 -0.246
216 HD1 TYR 28 HD2 TYR 28 1.396 1.546 0.870
217 HD2 TYR 28 HD1 TYR 28 0.510 1.248 -3.332
218 HE1 TYR 28 HE2 TYR 28 3.795 1.944 0.361
219 HE2 TYR 28 HE1 TYR 28 2.908 1.546 -3.850
220 HH TYR 28 HH TYR 28 5.407 2.133 -1.325
221 H PHE 29 H PHE 29 -2.600 0.783 1.856
222 HA PHE 29 HA PHE 29 -5.076 -0.023 0.446
223 HB2 PHE 29 HB2 PHE 29 -4.515 -1.924 1.847
224 HB3 PHE 29 HB3 PHE 29 -4.117 -0.869 3.192
225 HD1 PHE 29 HD2 PHE 29 -7.314 -0.488 1.154
226 HD2 PHE 29 HD1 PHE 29 -5.471 -1.880 4.823
227 HE1 PHE 29 HE2 PHE 29 -9.519 -0.670 2.203
228 HE2 PHE 29 HE1 PHE 29 -7.718 -2.047 5.850
229 HZ PHE 29 HZ PHE 29 -9.742 -1.449 4.534
230 H ASN 30 H ASN 30 -6.539 1.453 0.500
231 HA ASN 30 HA ASN 30 -6.458 3.753 2.312
232 HB2 ASN 30 HB2 ASN 30 -6.486 3.842 -0.374
233 HB3 ASN 30 HB3 ASN 30 -8.143 3.520 -0.181
234 HD21 ASN 30 HD21 ASN 30 -6.175 6.210 -0.241
235 HD22 ASN 30 HD22 ASN 30 -7.213 7.322 0.575
236 H HIS 31 H HIS 31 -7.642 3.299 4.084
237 HA HIS 31 HA HIS 31 -10.010 1.573 3.900
238 HB2 HIS 31 HB2 HIS 31 -10.230 1.909 6.294
239 HB3 HIS 31 HB3 HIS 31 -8.637 1.353 5.857
240 HD1 HIS 31 HD1 HIS 31 -10.314 3.885 7.925
241 HD2 HIS 31 HD2 HIS 31 -6.662 3.577 5.803
242 HE1 HIS 31 HE1 HIS 31 -8.812 5.760 8.732
243 H ILE 32 H ILE 32 -9.494 4.916 3.387
244 HA ILE 32 HA ILE 32 -12.093 5.860 4.314
245 HB ILE 32 HB ILE 32 -9.623 7.017 3.093
246 HG12 ILE 32 HG12 ILE 32 -9.937 8.777 4.753
247 HG13 ILE 32 HG13 ILE 32 -11.426 7.993 5.309
248 HG21 ILE 32 HG21 ILE 32 -11.155 7.963 1.498
249 HG22 ILE 32 HG22 ILE 32 -12.283 8.429 2.777
250 HG23 ILE 32 HG23 ILE 32 -10.706 9.213 2.659
251 HD11 ILE 32 HD11 ILE 32 -8.708 6.599 5.242
252 HD12 ILE 32 HD12 ILE 32 -9.306 7.503 6.650
253 HD13 ILE 32 HD13 ILE 32 -10.184 6.076 6.067
254 H THR 33 H THR 33 -10.672 4.742 1.259
255 HA THR 33 HA THR 33 -13.333 5.059 -0.041
256 HB THR 33 HB THR 33 -11.622 6.740 -0.694
257 HG1 THR 33 HG1 THR 33 -13.256 6.335 -2.122
258 HG21 THR 33 HG21 THR 33 -9.674 5.238 -0.680
259 HG22 THR 33 HG22 THR 33 -9.813 6.121 -2.204
260 HG23 THR 33 HG23 THR 33 -10.312 4.416 -2.107
261 H ASN 34 H ASN 34 -11.276 2.737 1.175
262 HA ASN 34 HA ASN 34 -11.105 0.522 0.881
263 HB2 ASN 34 HB2 ASN 34 -13.480 0.746 1.018
264 HB3 ASN 34 HB3 ASN 34 -13.666 0.888 -0.699
265 HD21 ASN 34 HD21 ASN 34 -14.094 -0.871 -1.847
266 HD22 ASN 34 HD22 ASN 34 -13.891 -2.532 -1.308
267 H ALA 35 H ALA 35 -9.534 2.085 -0.711
268 HA ALA 35 HA ALA 35 -9.314 0.513 -3.256
269 HB1 ALA 35 HB1 ALA 35 -9.855 2.849 -3.596
270 HB2 ALA 35 HB2 ALA 35 -8.421 3.341 -2.650
271 HB3 ALA 35 HB3 ALA 35 -8.212 2.480 -4.189
272 H SER 36 H SER 36 -7.658 -0.802 -3.234
273 HA SER 36 HA SER 36 -5.197 -0.235 -1.711
274 HB2 SER 36 HB2 SER 36 -5.363 -2.810 -1.194
275 HB3 SER 36 HB3 SER 36 -6.221 -1.688 -0.149
276 HG SER 36 HG SER 36 -7.479 -2.759 -2.415
277 H GLN 37 H GLN 37 -3.385 -0.618 -2.987
278 HA GLN 37 HA GLN 37 -3.114 -2.976 -4.558
279 HB2 GLN 37 HB2 GLN 37 -2.927 -1.819 -6.745
280 HB3 GLN 37 HB3 GLN 37 -4.568 -1.893 -6.146
281 HG2 GLN 37 HG2 GLN 37 -4.543 0.453 -5.493
282 HG3 GLN 37 HG3 GLN 37 -2.826 0.594 -5.902
283 HE21 GLN 37 HE21 GLN 37 -5.252 2.076 -7.084
284 HE22 GLN 37 HE22 GLN 37 -5.155 1.703 -8.787
285 H TRP 38 H TRP 38 -1.050 -2.691 -5.915
286 HA TRP 38 HA TRP 38 1.093 -1.668 -4.258
287 HB2 TRP 38 HB2 TRP 38 2.313 -2.367 -6.484
288 HB3 TRP 38 HB3 TRP 38 1.677 -3.596 -5.392
289 HD1 TRP 38 HD1 TRP 38 0.218 -1.673 -8.464
290 HE1 TRP 38 HE1 TRP 38 -1.383 -3.191 -9.691
291 HE3 TRP 38 HE3 TRP 38 0.920 -5.927 -5.700
292 HZ2 TRP 38 HZ2 TRP 38 -2.132 -6.019 -9.639
293 HZ3 TRP 38 HZ3 TRP 38 -0.282 -8.023 -6.308
294 HH2 TRP 38 HH2 TRP 38 -1.798 -8.071 -8.274
295 H GLU 39 H GLU 39 -0.936 -0.234 -6.737
296 HA GLU 39 HA GLU 39 1.082 1.427 -7.926
297 HB2 GLU 39 HB2 GLU 39 -1.108 0.991 -8.989
298 HB3 GLU 39 HB3 GLU 39 -1.906 1.951 -7.729
299 HG2 GLU 39 HG2 GLU 39 -1.401 3.893 -8.761
300 HG3 GLU 39 HG3 GLU 39 0.304 3.482 -8.858
301 H ARG 40 H ARG 40 2.071 3.154 -7.025
302 HA ARG 40 HA ARG 40 1.583 3.869 -4.303
303 HB2 ARG 40 HB2 ARG 40 3.269 5.095 -6.502
304 HB3 ARG 40 HB3 ARG 40 3.177 5.823 -4.888
305 HG2 ARG 40 HG2 ARG 40 3.984 3.859 -3.823
306 HG3 ARG 40 HG3 ARG 40 3.854 2.907 -5.310
307 HD2 ARG 40 HD2 ARG 40 5.691 4.238 -6.320
308 HD3 ARG 40 HD3 ARG 40 5.790 5.201 -4.834
309 HE ARG 40 HE ARG 40 6.791 3.460 -3.700
310 HH11 ARG 40 HH11 ARG 40 5.939 2.094 -6.863
311 HH12 ARG 40 HH12 ARG 40 5.893 0.452 -6.232
312 HH21 ARG 40 HH21 ARG 40 6.989 1.482 -3.030
313 HH22 ARG 40 HH22 ARG 40 6.277 0.177 -3.940
314 HA PRO 41 HA PRO 41 -1.797 6.644 -5.303
315 HB2 PRO 41 HB2 PRO 41 -2.356 7.624 -2.810
316 HB3 PRO 41 HB3 PRO 41 -2.713 5.956 -3.337
317 HG2 PRO 41 HG2 PRO 41 -0.251 6.886 -1.809
318 HG3 PRO 41 HG3 PRO 41 -1.411 5.597 -1.343
319 HD2 PRO 41 HD2 PRO 41 0.953 5.162 -2.685
320 HD3 PRO 41 HD3 PRO 41 -0.488 4.183 -3.082
321 H SER 42 H SER 42 -2.331 9.095 -4.711
322 HA SER 42 HA SER 42 -0.042 10.800 -4.167
323 HB2 SER 42 HB2 SER 42 -0.202 11.893 -6.440
324 HB3 SER 42 HB3 SER 42 0.631 10.344 -6.384
325 HG SER 42 HG SER 42 -1.173 10.987 -8.002
326 H GLY 43 H GLY 43 -1.749 11.015 -2.548
327 HA2 GLY 43 HA2 GLY 43 -2.917 13.035 -1.766
328 HA3 GLY 43 HA3 GLY 43 -3.829 13.026 -3.297
Start of MODEL 8
1 H1 GLY 1 H GLY 1 11.439 -12.364 4.132
2 HA2 GLY 1 HA2 GLY 1 12.399 -12.114 6.428
3 HA3 GLY 1 HA3 GLY 1 13.886 -11.585 5.611
4 H LEU 2 H LEU 2 14.084 -9.421 5.094
5 HA LEU 2 HA LEU 2 11.690 -7.795 4.729
6 HB2 LEU 2 HB2 LEU 2 12.035 -6.253 6.367
7 HB3 LEU 2 HB3 LEU 2 12.251 -7.765 7.214
8 HG LEU 2 HG LEU 2 14.455 -5.848 6.304
9 HD11 LEU 2 HD11 LEU 2 14.711 -5.398 8.698
10 HD12 LEU 2 HD12 LEU 2 13.372 -6.509 9.075
11 HD13 LEU 2 HD13 LEU 2 13.072 -5.015 8.171
12 HD21 LEU 2 HD21 LEU 2 15.345 -8.119 6.316
13 HD22 LEU 2 HD22 LEU 2 14.657 -8.417 7.924
14 HD23 LEU 2 HD23 LEU 2 15.967 -7.234 7.702
15 H GLU 3 H GLU 3 12.286 -5.575 3.891
16 HA GLU 3 HA GLU 3 14.609 -5.836 2.068
17 HB2 GLU 3 HB2 GLU 3 13.535 -4.165 0.684
18 HB3 GLU 3 HB3 GLU 3 12.576 -5.617 0.898
19 HG2 GLU 3 HG2 GLU 3 12.083 -3.020 2.409
20 HG3 GLU 3 HG3 GLU 3 11.290 -3.464 0.894
21 H HIS 4 H HIS 4 14.923 -2.971 1.500
22 HA HIS 4 HA HIS 4 15.812 -1.893 4.110
23 HB2 HIS 4 HB2 HIS 4 17.567 -3.467 2.998
24 HB3 HIS 4 HB3 HIS 4 17.772 -2.192 1.805
25 HD1 HIS 4 HD1 HIS 4 19.562 -0.385 2.530
26 HD2 HIS 4 HD2 HIS 4 17.953 -2.700 5.670
27 HE1 HIS 4 HE1 HIS 4 20.815 0.285 4.636
28 H MET 5 H MET 5 13.881 -1.129 1.732
29 HA MET 5 HA MET 5 14.687 1.689 1.724
30 HB2 MET 5 HB2 MET 5 14.458 1.855 -0.747
31 HB3 MET 5 HB3 MET 5 15.902 1.048 -0.189
32 HG2 MET 5 HG2 MET 5 13.455 -0.307 -1.355
33 HG3 MET 5 HG3 MET 5 14.944 0.042 -2.205
34 HE1 MET 5 HE1 MET 5 17.270 -0.871 -0.216
35 HE2 MET 5 HE2 MET 5 17.454 -2.548 -0.754
36 HE3 MET 5 HE3 MET 5 17.189 -1.263 -1.950
37 H ALA 6 H ALA 6 12.895 2.314 2.803
38 HA ALA 6 HA ALA 6 10.193 1.482 1.978
39 HB1 ALA 6 HB1 ALA 6 10.796 1.708 4.342
40 HB2 ALA 6 HB2 ALA 6 11.153 3.437 4.088
41 HB3 ALA 6 HB3 ALA 6 9.494 2.820 3.885
42 H ASP 7 H ASP 7 11.326 2.564 -0.170
43 HA ASP 7 HA ASP 7 10.724 5.466 -0.409
44 HB2 ASP 7 HB2 ASP 7 11.839 3.393 -2.352
45 HB3 ASP 7 HB3 ASP 7 11.334 5.002 -2.873
46 H GLU 8 H GLU 8 9.608 2.341 -1.533
47 HA GLU 8 HA GLU 8 7.560 2.981 -3.278
48 HB2 GLU 8 HB2 GLU 8 6.754 0.708 -2.743
49 HB3 GLU 8 HB3 GLU 8 8.466 0.807 -3.058
50 HG2 GLU 8 HG2 GLU 8 8.786 0.781 -0.489
51 HG3 GLU 8 HG3 GLU 8 7.092 0.268 -0.439
52 H GLU 9 H GLU 9 7.642 3.499 0.059
53 HA GLU 9 HA GLU 9 4.832 3.514 0.703
54 HB2 GLU 9 HB2 GLU 9 6.982 2.996 2.093
55 HB3 GLU 9 HB3 GLU 9 7.166 4.744 2.230
56 HG2 GLU 9 HG2 GLU 9 5.057 4.914 3.436
57 HG3 GLU 9 HG3 GLU 9 4.642 3.244 3.018
58 H LYS 10 H LYS 10 5.992 5.255 -1.533
59 HA LYS 10 HA LYS 10 6.006 7.999 -0.862
60 HB2 LYS 10 HB2 LYS 10 6.704 6.399 -3.058
61 HB3 LYS 10 HB3 LYS 10 5.267 7.203 -3.637
62 HG2 LYS 10 HG2 LYS 10 6.672 9.333 -2.536
63 HG3 LYS 10 HG3 LYS 10 7.985 8.259 -3.015
64 HD2 LYS 10 HD2 LYS 10 7.612 9.683 -4.887
65 HD3 LYS 10 HD3 LYS 10 6.896 8.131 -5.323
66 HE2 LYS 10 HE2 LYS 10 5.355 9.874 -5.958
67 HE3 LYS 10 HE3 LYS 10 4.651 9.022 -4.574
68 HZ1 LYS 10 HZ1 LYS 10 5.257 10.816 -3.156
69 HZ2 LYS 10 HZ2 LYS 10 4.550 11.496 -4.451
70 HZ3 LYS 10 HZ3 LYS 10 6.193 11.534 -4.301
71 H LEU 11 H LEU 11 3.336 6.061 -0.706
72 HA LEU 11 HA LEU 11 1.397 7.490 -2.174
73 HB2 LEU 11 HB2 LEU 11 1.458 5.381 -0.003
74 HB3 LEU 11 HB3 LEU 11 -0.046 6.112 -0.402
75 HG LEU 11 HG LEU 11 0.601 5.547 -2.884
76 HD11 LEU 11 HD11 LEU 11 1.919 3.561 -3.213
77 HD12 LEU 11 HD12 LEU 11 2.340 3.500 -1.481
78 HD13 LEU 11 HD13 LEU 11 2.916 4.816 -2.526
79 HD21 LEU 11 HD21 LEU 11 -1.221 4.481 -1.388
80 HD22 LEU 11 HD22 LEU 11 -0.066 3.216 -1.036
81 HD23 LEU 11 HD23 LEU 11 -0.619 3.490 -2.705
82 HA PRO 12 HA PRO 12 0.319 10.777 0.551
83 HB2 PRO 12 HB2 PRO 12 -2.419 11.001 0.077
84 HB3 PRO 12 HB3 PRO 12 -1.195 11.310 -1.186
85 HG2 PRO 12 HG2 PRO 12 -2.735 8.790 -0.567
86 HG3 PRO 12 HG3 PRO 12 -2.609 9.594 -2.156
87 HD2 PRO 12 HD2 PRO 12 -1.070 7.532 -1.423
88 HD3 PRO 12 HD3 PRO 12 -0.405 8.838 -2.455
89 HA PRO 13 HA PRO 13 -1.013 9.260 4.469
90 HB2 PRO 13 HB2 PRO 13 -2.737 11.171 5.506
91 HB3 PRO 13 HB3 PRO 13 -0.954 11.311 5.432
92 HG2 PRO 13 HG2 PRO 13 -2.994 12.388 3.456
93 HG3 PRO 13 HG3 PRO 13 -1.622 13.264 4.209
94 HD2 PRO 13 HD2 PRO 13 -1.349 12.236 1.742
95 HD3 PRO 13 HD3 PRO 13 -0.029 12.032 2.920
96 H GLY 14 H GLY 14 -2.707 8.245 5.636
97 HA2 GLY 14 HA2 GLY 14 -4.729 7.309 5.997
98 HA3 GLY 14 HA3 GLY 14 -5.411 8.032 4.527
99 H TRP 15 H TRP 15 -2.982 7.006 2.937
100 HA TRP 15 HA TRP 15 -4.052 4.318 2.428
101 HB2 TRP 15 HB2 TRP 15 -2.034 6.055 1.000
102 HB3 TRP 15 HB3 TRP 15 -2.289 4.367 0.617
103 HD1 TRP 15 HD1 TRP 15 -4.185 7.708 0.458
104 HE1 TRP 15 HE1 TRP 15 -5.996 7.495 -1.415
105 HE3 TRP 15 HE3 TRP 15 -3.876 2.714 -0.481
106 HZ2 TRP 15 HZ2 TRP 15 -7.311 5.421 -2.827
107 HZ3 TRP 15 HZ3 TRP 15 -5.447 1.627 -2.098
108 HH2 TRP 15 HH2 TRP 15 -7.181 2.969 -3.237
109 H GLU 16 H GLU 16 -2.724 2.555 2.330
110 HA GLU 16 HA GLU 16 -0.203 2.539 3.924
111 HB2 GLU 16 HB2 GLU 16 -2.748 1.073 4.624
112 HB3 GLU 16 HB3 GLU 16 -1.214 0.264 4.911
113 HG2 GLU 16 HG2 GLU 16 -1.721 3.052 5.971
114 HG3 GLU 16 HG3 GLU 16 -2.221 1.595 6.839
115 H LYS 17 H LYS 17 1.315 1.467 2.883
116 HA LYS 17 HA LYS 17 0.574 -0.165 0.538
117 HB2 LYS 17 HB2 LYS 17 2.398 1.628 0.665
118 HB3 LYS 17 HB3 LYS 17 3.317 0.469 1.608
119 HG2 LYS 17 HG2 LYS 17 2.225 0.027 -1.183
120 HG3 LYS 17 HG3 LYS 17 3.871 0.556 -0.860
121 HD2 LYS 17 HD2 LYS 17 2.703 -2.130 0.032
122 HD3 LYS 17 HD3 LYS 17 3.452 -1.830 -1.477
123 HE2 LYS 17 HE2 LYS 17 5.166 -2.763 -0.058
124 HE3 LYS 17 HE3 LYS 17 5.568 -1.101 -0.463
125 HZ1 LYS 17 HZ1 LYS 17 4.461 -1.964 2.156
126 HZ2 LYS 17 HZ2 LYS 17 4.910 -0.451 1.796
127 HZ3 LYS 17 HZ3 LYS 17 6.038 -1.569 1.832
128 H ARG 18 H ARG 18 -0.256 -2.006 1.213
129 HA ARG 18 HA ARG 18 1.258 -3.764 3.124
130 HB2 ARG 18 HB2 ARG 18 -1.752 -3.558 2.699
131 HB3 ARG 18 HB3 ARG 18 -0.964 -4.707 3.769
132 HG2 ARG 18 HG2 ARG 18 -0.058 -2.006 4.414
133 HG3 ARG 18 HG3 ARG 18 -1.818 -2.060 4.381
134 HD2 ARG 18 HD2 ARG 18 -1.902 -3.725 6.089
135 HD3 ARG 18 HD3 ARG 18 -0.180 -4.108 5.907
136 HE ARG 18 HE ARG 18 0.370 -1.866 6.759
137 HH11 ARG 18 HH11 ARG 18 -2.748 -3.329 7.922
138 HH12 ARG 18 HH12 ARG 18 -2.603 -2.415 9.390
139 HH21 ARG 18 HH21 ARG 18 -0.025 -0.390 8.445
140 HH22 ARG 18 HH22 ARG 18 -1.214 -0.790 9.650
141 H MET 19 H MET 19 0.222 -6.127 2.850
142 HA MET 19 HA MET 19 0.289 -6.857 -0.011
143 HB2 MET 19 HB2 MET 19 2.488 -7.124 1.239
144 HB3 MET 19 HB3 MET 19 1.679 -8.355 2.229
145 HG2 MET 19 HG2 MET 19 1.144 -9.599 0.118
146 HG3 MET 19 HG3 MET 19 2.123 -8.423 -0.774
147 HE1 MET 19 HE1 MET 19 4.776 -8.117 -0.419
148 HE2 MET 19 HE2 MET 19 4.489 -7.834 1.310
149 HE3 MET 19 HE3 MET 19 5.704 -9.002 0.790
150 H SER 20 H SER 20 -1.022 -8.521 -0.535
151 HA SER 20 HA SER 20 -3.411 -8.957 0.924
152 HB2 SER 20 HB2 SER 20 -3.215 -9.137 -1.548
153 HB3 SER 20 HB3 SER 20 -2.065 -10.461 -1.373
154 HG SER 20 HG SER 20 -4.807 -10.440 -1.133
155 H ARG 21 H ARG 21 -3.654 -10.294 2.655
156 HA ARG 21 HA ARG 21 -1.461 -11.996 3.584
157 HB2 ARG 21 HB2 ARG 21 -4.395 -11.907 4.426
158 HB3 ARG 21 HB3 ARG 21 -3.117 -12.774 5.269
159 HG2 ARG 21 HG2 ARG 21 -3.221 -9.755 4.862
160 HG3 ARG 21 HG3 ARG 21 -3.717 -10.590 6.328
161 HD2 ARG 21 HD2 ARG 21 -0.884 -10.723 5.218
162 HD3 ARG 21 HD3 ARG 21 -1.435 -9.510 6.375
163 HE ARG 21 HE ARG 21 -2.162 -11.989 7.439
164 HH11 ARG 21 HH11 ARG 21 0.928 -10.379 6.564
165 HH12 ARG 21 HH12 ARG 21 1.758 -11.057 7.935
166 HH21 ARG 21 HH21 ARG 21 -0.920 -12.968 9.152
167 HH22 ARG 21 HH22 ARG 21 0.782 -12.775 9.191
168 H SER 22 H SER 22 -4.577 -12.453 1.939
169 HA SER 22 HA SER 22 -4.902 -15.084 1.737
170 HB2 SER 22 HB2 SER 22 -5.422 -13.278 -0.621
171 HB3 SER 22 HB3 SER 22 -6.444 -14.535 0.102
172 HG SER 22 HG SER 22 -7.296 -13.095 1.315
173 H SER 23 H SER 23 -3.085 -13.188 -0.798
174 HA SER 23 HA SER 23 -1.743 -15.777 -1.494
175 HB2 SER 23 HB2 SER 23 -2.998 -13.725 -3.333
176 HB3 SER 23 HB3 SER 23 -1.785 -14.883 -3.895
177 HG SER 23 HG SER 23 -3.027 -16.561 -3.115
178 H GLY 24 H GLY 24 -0.946 -12.677 -0.383
179 HA2 GLY 24 HA2 GLY 24 1.211 -11.838 -0.106
180 HA3 GLY 24 HA3 GLY 24 1.849 -13.258 -0.949
181 H ARG 25 H ARG 25 -0.311 -10.561 -1.700
182 HA ARG 25 HA ARG 25 1.160 -9.831 -4.178
183 HB2 ARG 25 HB2 ARG 25 -1.694 -10.652 -3.752
184 HB3 ARG 25 HB3 ARG 25 -1.496 -9.161 -4.642
185 HG2 ARG 25 HG2 ARG 25 -1.662 -11.335 -5.946
186 HG3 ARG 25 HG3 ARG 25 -0.411 -10.176 -6.427
187 HD2 ARG 25 HD2 ARG 25 1.297 -11.549 -5.262
188 HD3 ARG 25 HD3 ARG 25 0.044 -12.683 -4.764
189 HE ARG 25 HE ARG 25 -0.047 -13.533 -6.890
190 HH11 ARG 25 HH11 ARG 25 2.290 -10.832 -6.785
191 HH12 ARG 25 HH12 ARG 25 2.740 -10.963 -8.451
192 HH21 ARG 25 HH21 ARG 25 0.831 -13.935 -8.973
193 HH22 ARG 25 HH22 ARG 25 2.102 -12.961 -9.606
194 H VAL 26 H VAL 26 1.912 -7.830 -4.000
195 HA VAL 26 HA VAL 26 1.240 -6.227 -1.725
196 HB VAL 26 HB VAL 26 2.744 -5.292 -4.187
197 HG11 VAL 26 HG11 VAL 26 2.879 -4.646 -1.196
198 HG12 VAL 26 HG12 VAL 26 3.940 -3.984 -2.445
199 HG13 VAL 26 HG13 VAL 26 2.226 -3.593 -2.474
200 HG21 VAL 26 HG21 VAL 26 3.752 -6.965 -1.851
201 HG22 VAL 26 HG22 VAL 26 3.815 -7.405 -3.578
202 HG23 VAL 26 HG23 VAL 26 4.813 -6.096 -2.979
203 H TYR 27 H TYR 27 0.066 -4.273 -1.583
204 HA TYR 27 HA TYR 27 -1.157 -3.071 -3.847
205 HB2 TYR 27 HB2 TYR 27 -3.422 -3.506 -3.496
206 HB3 TYR 27 HB3 TYR 27 -2.663 -5.077 -3.562
207 HD1 TYR 27 HD1 TYR 27 -1.868 -5.979 -1.091
208 HD2 TYR 27 HD2 TYR 27 -5.007 -3.121 -1.850
209 HE1 TYR 27 HE1 TYR 27 -2.900 -6.510 1.096
210 HE2 TYR 27 HE2 TYR 27 -5.991 -3.637 0.390
211 HH TYR 27 HH TYR 27 -4.504 -6.032 2.579
212 H TYR 28 H TYR 28 -2.665 -1.350 -3.018
213 HA TYR 28 HA TYR 28 -1.578 -0.063 -0.584
214 HB2 TYR 28 HB2 TYR 28 -3.171 1.158 -2.858
215 HB3 TYR 28 HB3 TYR 28 -2.162 1.967 -1.678
216 HD1 TYR 28 HD2 TYR 28 0.393 0.990 -1.686
217 HD2 TYR 28 HD1 TYR 28 -2.279 1.070 -5.048
218 HE1 TYR 28 HE2 TYR 28 2.349 1.159 -3.217
219 HE2 TYR 28 HE1 TYR 28 -0.339 1.193 -6.584
220 HH TYR 28 HH TYR 28 1.991 1.651 -6.743
221 H PHE 29 H PHE 29 -3.023 0.599 1.080
222 HA PHE 29 HA PHE 29 -5.924 0.100 0.699
223 HB2 PHE 29 HB2 PHE 29 -5.117 -1.855 1.825
224 HB3 PHE 29 HB3 PHE 29 -4.071 -0.901 2.863
225 HD1 PHE 29 HD2 PHE 29 -7.749 -0.120 2.290
226 HD2 PHE 29 HD1 PHE 29 -4.738 -1.701 4.965
227 HE1 PHE 29 HE2 PHE 29 -9.384 -0.192 4.111
228 HE2 PHE 29 HE1 PHE 29 -6.427 -1.786 6.774
229 HZ PHE 29 HZ PHE 29 -8.742 -1.026 6.361
230 H ASN 30 H ASN 30 -6.963 1.864 0.989
231 HA ASN 30 HA ASN 30 -5.993 4.089 2.663
232 HB2 ASN 30 HB2 ASN 30 -7.144 4.110 0.240
233 HB3 ASN 30 HB3 ASN 30 -8.596 4.112 1.159
234 HD21 ASN 30 HD21 ASN 30 -8.261 6.407 -0.298
235 HD22 ASN 30 HD22 ASN 30 -7.800 7.718 0.779
236 H HIS 31 H HIS 31 -6.291 3.270 4.745
237 HA HIS 31 HA HIS 31 -8.748 1.929 5.503
238 HB2 HIS 31 HB2 HIS 31 -7.889 2.003 7.800
239 HB3 HIS 31 HB3 HIS 31 -6.801 1.273 6.637
240 HD1 HIS 31 HD1 HIS 31 -6.898 4.055 9.203
241 HD2 HIS 31 HD2 HIS 31 -4.495 2.600 6.036
242 HE1 HIS 31 HE1 HIS 31 -4.596 5.068 9.512
243 H ILE 32 H ILE 32 -7.926 5.213 5.230
244 HA ILE 32 HA ILE 32 -9.710 6.352 7.180
245 HB ILE 32 HB ILE 32 -8.010 7.287 4.889
246 HG12 ILE 32 HG12 ILE 32 -7.022 8.747 6.523
247 HG13 ILE 32 HG13 ILE 32 -8.318 8.453 7.682
248 HG21 ILE 32 HG21 ILE 32 -10.089 9.148 6.088
249 HG22 ILE 32 HG22 ILE 32 -8.719 9.628 5.073
250 HG23 ILE 32 HG23 ILE 32 -9.991 8.620 4.389
251 HD11 ILE 32 HD11 ILE 32 -7.540 6.214 8.107
252 HD12 ILE 32 HD12 ILE 32 -6.407 6.273 6.753
253 HD13 ILE 32 HD13 ILE 32 -6.141 7.293 8.188
254 H THR 33 H THR 33 -10.143 5.241 3.915
255 HA THR 33 HA THR 33 -13.053 6.000 4.007
256 HB THR 33 HB THR 33 -11.765 7.448 2.500
257 HG1 THR 33 HG1 THR 33 -12.926 6.588 0.456
258 HG21 THR 33 HG21 THR 33 -10.748 6.578 0.481
259 HG22 THR 33 HG22 THR 33 -11.159 4.921 0.970
260 HG23 THR 33 HG23 THR 33 -10.005 5.869 1.913
261 H ASN 34 H ASN 34 -10.811 3.499 3.941
262 HA ASN 34 HA ASN 34 -10.907 1.306 3.741
263 HB2 ASN 34 HB2 ASN 34 -13.164 1.763 4.959
264 HB3 ASN 34 HB3 ASN 34 -13.912 1.268 3.451
265 HD21 ASN 34 HD21 ASN 34 -14.431 -0.957 3.504
266 HD22 ASN 34 HD22 ASN 34 -13.491 -2.169 4.356
267 H ALA 35 H ALA 35 -10.202 2.657 1.603
268 HA ALA 35 HA ALA 35 -11.430 1.190 -0.718
269 HB1 ALA 35 HB1 ALA 35 -9.972 3.879 -0.731
270 HB2 ALA 35 HB2 ALA 35 -10.736 3.066 -2.106
271 HB3 ALA 35 HB3 ALA 35 -11.748 3.651 -0.754
272 H SER 36 H SER 36 -10.013 -0.345 -1.485
273 HA SER 36 HA SER 36 -7.095 0.171 -1.303
274 HB2 SER 36 HB2 SER 36 -6.863 -2.275 -0.777
275 HB3 SER 36 HB3 SER 36 -7.409 -1.264 0.561
276 HG SER 36 HG SER 36 -9.428 -1.999 0.368
277 H GLN 37 H GLN 37 -5.840 -0.566 -2.988
278 HA GLN 37 HA GLN 37 -6.608 -2.632 -4.749
279 HB2 GLN 37 HB2 GLN 37 -6.940 -1.223 -6.772
280 HB3 GLN 37 HB3 GLN 37 -8.253 -1.105 -5.619
281 HG2 GLN 37 HG2 GLN 37 -7.431 1.072 -4.809
282 HG3 GLN 37 HG3 GLN 37 -6.061 0.982 -5.929
283 HE21 GLN 37 HE21 GLN 37 -8.720 2.794 -5.686
284 HE22 GLN 37 HE22 GLN 37 -9.299 2.700 -7.333
285 H TRP 38 H TRP 38 -5.122 -2.547 -6.712
286 HA TRP 38 HA TRP 38 -2.356 -2.008 -5.896
287 HB2 TRP 38 HB2 TRP 38 -2.020 -2.918 -8.299
288 HB3 TRP 38 HB3 TRP 38 -2.644 -4.015 -7.076
289 HD1 TRP 38 HD1 TRP 38 -4.335 -1.630 -9.705
290 HE1 TRP 38 HE1 TRP 38 -6.450 -2.749 -10.575
291 HE3 TRP 38 HE3 TRP 38 -3.957 -6.080 -7.190
292 HZ2 TRP 38 HZ2 TRP 38 -7.782 -5.309 -10.281
293 HZ3 TRP 38 HZ3 TRP 38 -5.653 -7.860 -7.573
294 HH2 TRP 38 HH2 TRP 38 -7.554 -7.482 -9.072
295 H GLU 39 H GLU 39 -4.843 -0.198 -7.458
296 HA GLU 39 HA GLU 39 -3.113 1.210 -9.308
297 HB2 GLU 39 HB2 GLU 39 -5.751 0.672 -9.328
298 HB3 GLU 39 HB3 GLU 39 -5.813 2.278 -8.570
299 HG2 GLU 39 HG2 GLU 39 -4.417 3.125 -10.485
300 HG3 GLU 39 HG3 GLU 39 -4.473 1.520 -11.210
301 H ARG 40 H ARG 40 -1.699 2.618 -8.609
302 HA ARG 40 HA ARG 40 -1.451 3.475 -5.972
303 HB2 ARG 40 HB2 ARG 40 0.459 3.232 -7.255
304 HB3 ARG 40 HB3 ARG 40 -0.129 4.233 -8.565
305 HG2 ARG 40 HG2 ARG 40 0.135 5.643 -5.927
306 HG3 ARG 40 HG3 ARG 40 1.629 5.035 -6.575
307 HD2 ARG 40 HD2 ARG 40 -0.359 6.511 -8.321
308 HD3 ARG 40 HD3 ARG 40 0.774 7.408 -7.290
309 HE ARG 40 HE ARG 40 2.417 5.714 -8.636
310 HH11 ARG 40 HH11 ARG 40 -0.008 8.100 -9.828
311 HH12 ARG 40 HH12 ARG 40 1.019 8.565 -11.145
312 HH21 ARG 40 HH21 ARG 40 3.522 6.153 -10.402
313 HH22 ARG 40 HH22 ARG 40 3.120 7.385 -11.544
314 HA PRO 41 HA PRO 41 -4.335 6.874 -5.875
315 HB2 PRO 41 HB2 PRO 41 -3.777 7.858 -3.373
316 HB3 PRO 41 HB3 PRO 41 -4.573 6.296 -3.690
317 HG2 PRO 41 HG2 PRO 41 -1.589 6.745 -3.208
318 HG3 PRO 41 HG3 PRO 41 -2.701 5.662 -2.297
319 HD2 PRO 41 HD2 PRO 41 -1.133 4.869 -4.371
320 HD3 PRO 41 HD3 PRO 41 -2.751 4.174 -4.203
321 H SER 42 H SER 42 -4.181 9.376 -4.949
322 HA SER 42 HA SER 42 -1.709 10.698 -5.638
323 HB2 SER 42 HB2 SER 42 -3.047 12.016 -7.484
324 HB3 SER 42 HB3 SER 42 -2.321 10.456 -7.886
325 HG SER 42 HG SER 42 -4.309 10.191 -8.613
326 H GLY 43 H GLY 43 -2.237 11.102 -3.342
327 HA2 GLY 43 HA2 GLY 43 -4.389 13.135 -2.927
328 HA3 GLY 43 HA3 GLY 43 -3.637 12.150 -1.670
Start of MODEL 9
1 H1 GLY 1 H GLY 1 14.494 -8.116 3.461
2 HA2 GLY 1 HA2 GLY 1 16.591 -6.962 3.831
3 HA3 GLY 1 HA3 GLY 1 17.132 -7.554 2.235
4 H LEU 2 H LEU 2 17.014 -6.070 0.728
5 HA LEU 2 HA LEU 2 16.566 -4.324 -0.487
6 HB2 LEU 2 HB2 LEU 2 14.581 -4.214 -1.531
7 HB3 LEU 2 HB3 LEU 2 14.626 -5.869 -0.999
8 HG LEU 2 HG LEU 2 13.218 -4.083 0.941
9 HD11 LEU 2 HD11 LEU 2 12.110 -4.385 -1.871
10 HD12 LEU 2 HD12 LEU 2 12.698 -2.885 -1.115
11 HD13 LEU 2 HD13 LEU 2 11.261 -3.687 -0.472
12 HD21 LEU 2 HD21 LEU 2 12.203 -6.498 -0.603
13 HD22 LEU 2 HD22 LEU 2 11.471 -5.756 0.833
14 HD23 LEU 2 HD23 LEU 2 13.024 -6.578 0.975
15 H GLU 3 H GLU 3 16.474 -3.847 2.580
16 HA GLU 3 HA GLU 3 15.065 -1.811 3.545
17 HB2 GLU 3 HB2 GLU 3 18.065 -2.133 3.711
18 HB3 GLU 3 HB3 GLU 3 17.116 -1.195 4.848
19 HG2 GLU 3 HG2 GLU 3 16.341 -3.037 5.973
20 HG3 GLU 3 HG3 GLU 3 16.287 -4.059 4.541
21 H HIS 4 H HIS 4 17.768 -1.251 1.224
22 HA HIS 4 HA HIS 4 17.754 1.596 1.535
23 HB2 HIS 4 HB2 HIS 4 18.700 -0.028 -0.851
24 HB3 HIS 4 HB3 HIS 4 19.073 1.656 -0.527
25 HD1 HIS 4 HD1 HIS 4 20.075 -1.850 0.636
26 HD2 HIS 4 HD2 HIS 4 20.940 2.219 1.337
27 HE1 HIS 4 HE1 HIS 4 22.313 -1.799 1.831
28 H MET 5 H MET 5 15.247 -0.241 0.231
29 HA MET 5 HA MET 5 14.366 1.996 -1.544
30 HB2 MET 5 HB2 MET 5 13.861 -0.978 -1.802
31 HB3 MET 5 HB3 MET 5 12.997 0.274 -2.715
32 HG2 MET 5 HG2 MET 5 16.002 -0.135 -2.752
33 HG3 MET 5 HG3 MET 5 14.873 -0.731 -3.968
34 HE1 MET 5 HE1 MET 5 16.698 0.464 -5.649
35 HE2 MET 5 HE2 MET 5 17.099 2.191 -5.495
36 HE3 MET 5 HE3 MET 5 17.534 1.066 -4.196
37 H ALA 6 H ALA 6 13.537 3.081 0.253
38 HA ALA 6 HA ALA 6 11.353 1.899 1.841
39 HB1 ALA 6 HB1 ALA 6 12.859 3.479 2.970
40 HB2 ALA 6 HB2 ALA 6 12.528 4.716 1.726
41 HB3 ALA 6 HB3 ALA 6 11.248 4.197 2.828
42 H ASP 7 H ASP 7 10.112 1.321 0.012
43 HA ASP 7 HA ASP 7 8.788 3.565 -1.454
44 HB2 ASP 7 HB2 ASP 7 9.407 0.768 -2.400
45 HB3 ASP 7 HB3 ASP 7 8.333 1.877 -3.238
46 H GLU 8 H GLU 8 8.236 1.819 1.159
47 HA GLU 8 HA GLU 8 5.397 1.228 0.447
48 HB2 GLU 8 HB2 GLU 8 5.402 -0.410 2.203
49 HB3 GLU 8 HB3 GLU 8 6.554 -0.768 0.897
50 HG2 GLU 8 HG2 GLU 8 8.341 0.145 2.453
51 HG3 GLU 8 HG3 GLU 8 7.111 0.134 3.722
52 H GLU 9 H GLU 9 7.222 3.540 1.888
53 HA GLU 9 HA GLU 9 4.976 4.261 3.678
54 HB2 GLU 9 HB2 GLU 9 6.911 3.281 4.862
55 HB3 GLU 9 HB3 GLU 9 7.864 4.685 4.359
56 HG2 GLU 9 HG2 GLU 9 6.432 6.181 5.629
57 HG3 GLU 9 HG3 GLU 9 5.221 4.910 5.854
58 H LYS 10 H LYS 10 4.838 5.256 1.198
59 HA LYS 10 HA LYS 10 5.541 8.130 1.552
60 HB2 LYS 10 HB2 LYS 10 6.020 6.772 -1.100
61 HB3 LYS 10 HB3 LYS 10 6.335 8.450 -0.683
62 HG2 LYS 10 HG2 LYS 10 8.072 7.785 0.924
63 HG3 LYS 10 HG3 LYS 10 7.799 6.072 0.549
64 HD2 LYS 10 HD2 LYS 10 8.802 8.183 -1.405
65 HD3 LYS 10 HD3 LYS 10 9.727 6.909 -0.597
66 HE2 LYS 10 HE2 LYS 10 7.942 5.292 -1.679
67 HE3 LYS 10 HE3 LYS 10 7.638 6.649 -2.757
68 HZ1 LYS 10 HZ1 LYS 10 9.210 5.395 -3.825
69 HZ2 LYS 10 HZ2 LYS 10 10.125 5.068 -2.504
70 HZ3 LYS 10 HZ3 LYS 10 10.125 6.587 -3.164
71 H LEU 11 H LEU 11 3.064 5.876 0.935
72 HA LEU 11 HA LEU 11 1.616 7.205 -1.066
73 HB2 LEU 11 HB2 LEU 11 1.079 5.164 1.130
74 HB3 LEU 11 HB3 LEU 11 -0.264 5.991 0.418
75 HG LEU 11 HG LEU 11 0.542 5.377 -1.861
76 HD11 LEU 11 HD11 LEU 11 2.861 4.830 -1.336
77 HD12 LEU 11 HD12 LEU 11 2.033 3.593 -2.259
78 HD13 LEU 11 HD13 LEU 11 2.318 3.336 -0.516
79 HD21 LEU 11 HD21 LEU 11 -0.117 3.009 -0.077
80 HD22 LEU 11 HD22 LEU 11 -0.462 3.231 -1.829
81 HD23 LEU 11 HD23 LEU 11 -1.284 4.202 -0.661
82 HA PRO 12 HA PRO 12 -0.044 10.682 0.970
83 HB2 PRO 12 HB2 PRO 12 -2.645 10.810 -0.016
84 HB3 PRO 12 HB3 PRO 12 -1.179 11.063 -1.009
85 HG2 PRO 12 HG2 PRO 12 -2.756 8.548 -0.530
86 HG3 PRO 12 HG3 PRO 12 -2.394 9.293 -2.129
87 HD2 PRO 12 HD2 PRO 12 -0.917 7.316 -1.067
88 HD3 PRO 12 HD3 PRO 12 -0.089 8.653 -1.934
89 HA PRO 13 HA PRO 13 -1.825 9.501 4.718
90 HB2 PRO 13 HB2 PRO 13 -3.606 11.563 5.396
91 HB3 PRO 13 HB3 PRO 13 -1.837 11.528 5.651
92 HG2 PRO 13 HG2 PRO 13 -3.381 12.769 3.381
93 HG3 PRO 13 HG3 PRO 13 -1.971 13.434 4.265
94 HD2 PRO 13 HD2 PRO 13 -1.706 12.253 1.830
95 HD3 PRO 13 HD3 PRO 13 -0.466 12.009 3.104
96 H GLY 14 H GLY 14 -3.325 8.332 5.576
97 HA2 GLY 14 HA2 GLY 14 -5.359 7.332 5.926
98 HA3 GLY 14 HA3 GLY 14 -6.024 8.006 4.424
99 H TRP 15 H TRP 15 -3.310 6.972 3.055
100 HA TRP 15 HA TRP 15 -4.412 4.271 2.581
101 HB2 TRP 15 HB2 TRP 15 -2.139 5.783 1.349
102 HB3 TRP 15 HB3 TRP 15 -2.502 4.092 1.023
103 HD1 TRP 15 HD1 TRP 15 -4.164 7.541 0.622
104 HE1 TRP 15 HE1 TRP 15 -5.574 7.545 -1.498
105 HE3 TRP 15 HE3 TRP 15 -3.931 2.583 -0.437
106 HZ2 TRP 15 HZ2 TRP 15 -6.687 5.541 -3.323
107 HZ3 TRP 15 HZ3 TRP 15 -5.263 1.611 -2.313
108 HH2 TRP 15 HH2 TRP 15 -6.670 3.091 -3.720
109 H GLU 16 H GLU 16 -2.983 2.489 2.530
110 HA GLU 16 HA GLU 16 -0.676 2.374 4.395
111 HB2 GLU 16 HB2 GLU 16 -3.465 1.336 4.794
112 HB3 GLU 16 HB3 GLU 16 -2.247 0.149 5.038
113 HG2 GLU 16 HG2 GLU 16 -1.814 2.809 6.391
114 HG3 GLU 16 HG3 GLU 16 -3.169 1.868 6.929
115 H LYS 17 H LYS 17 0.831 0.941 3.439
116 HA LYS 17 HA LYS 17 0.014 -0.507 0.975
117 HB2 LYS 17 HB2 LYS 17 2.055 1.034 1.126
118 HB3 LYS 17 HB3 LYS 17 2.778 -0.152 2.202
119 HG2 LYS 17 HG2 LYS 17 1.798 -0.735 -0.600
120 HG3 LYS 17 HG3 LYS 17 3.445 -0.242 -0.214
121 HD2 LYS 17 HD2 LYS 17 2.047 -2.857 0.542
122 HD3 LYS 17 HD3 LYS 17 3.290 -2.577 -0.695
123 HE2 LYS 17 HE2 LYS 17 4.847 -1.772 0.981
124 HE3 LYS 17 HE3 LYS 17 3.713 -2.142 2.295
125 HZ1 LYS 17 HZ1 LYS 17 5.510 -3.709 1.921
126 HZ2 LYS 17 HZ2 LYS 17 4.971 -4.098 0.452
127 HZ3 LYS 17 HZ3 LYS 17 4.057 -4.469 1.811
128 H ARG 18 H ARG 18 -0.822 -2.498 1.463
129 HA ARG 18 HA ARG 18 0.601 -4.115 3.520
130 HB2 ARG 18 HB2 ARG 18 -2.399 -4.288 3.178
131 HB3 ARG 18 HB3 ARG 18 -1.372 -4.973 4.426
132 HG2 ARG 18 HG2 ARG 18 -0.770 -2.509 5.026
133 HG3 ARG 18 HG3 ARG 18 -2.180 -2.072 4.048
134 HD2 ARG 18 HD2 ARG 18 -3.634 -3.399 5.440
135 HD3 ARG 18 HD3 ARG 18 -2.268 -4.092 6.328
136 HE ARG 18 HE ARG 18 -1.843 -1.486 6.789
137 HH11 ARG 18 HH11 ARG 18 -4.864 -3.407 7.174
138 HH12 ARG 18 HH12 ARG 18 -5.228 -2.698 8.712
139 HH21 ARG 18 HH21 ARG 18 -2.481 -0.444 8.692
140 HH22 ARG 18 HH22 ARG 18 -3.909 -0.893 9.525
141 H MET 19 H MET 19 -0.600 -6.476 3.290
142 HA MET 19 HA MET 19 -0.275 -7.293 0.468
143 HB2 MET 19 HB2 MET 19 1.774 -7.588 1.923
144 HB3 MET 19 HB3 MET 19 0.830 -8.766 2.868
145 HG2 MET 19 HG2 MET 19 0.434 -10.012 0.726
146 HG3 MET 19 HG3 MET 19 1.567 -8.915 -0.077
147 HE1 MET 19 HE1 MET 19 4.212 -8.777 0.579
148 HE2 MET 19 HE2 MET 19 3.716 -8.429 2.246
149 HE3 MET 19 HE3 MET 19 4.911 -9.701 1.926
150 H SER 20 H SER 20 -1.802 -8.595 -0.207
151 HA SER 20 HA SER 20 -4.173 -9.057 1.259
152 HB2 SER 20 HB2 SER 20 -3.965 -8.811 -1.254
153 HB3 SER 20 HB3 SER 20 -3.276 -10.439 -1.303
154 HG SER 20 HG SER 20 -5.490 -10.557 -1.644
155 H ARG 21 H ARG 21 -4.212 -10.378 2.946
156 HA ARG 21 HA ARG 21 -2.473 -12.489 3.616
157 HB2 ARG 21 HB2 ARG 21 -5.346 -11.811 4.345
158 HB3 ARG 21 HB3 ARG 21 -4.486 -13.117 5.143
159 HG2 ARG 21 HG2 ARG 21 -3.392 -10.266 5.067
160 HG3 ARG 21 HG3 ARG 21 -4.603 -10.758 6.233
161 HD2 ARG 21 HD2 ARG 21 -1.860 -12.023 5.905
162 HD3 ARG 21 HD3 ARG 21 -2.319 -10.886 7.173
163 HE ARG 21 HE ARG 21 -2.718 -13.709 7.157
164 HH11 ARG 21 HH11 ARG 21 -4.580 -10.844 8.146
165 HH12 ARG 21 HH12 ARG 21 -5.283 -11.671 9.503
166 HH21 ARG 21 HH21 ARG 21 -3.690 -14.733 8.859
167 HH22 ARG 21 HH22 ARG 21 -4.780 -13.867 9.928
168 H SER 22 H SER 22 -4.972 -12.567 1.261
169 HA SER 22 HA SER 22 -5.905 -15.208 1.385
170 HB2 SER 22 HB2 SER 22 -6.751 -13.174 0.134
171 HB3 SER 22 HB3 SER 22 -5.475 -13.419 -1.055
172 HG SER 22 HG SER 22 -6.516 -15.077 -1.864
173 H SER 23 H SER 23 -3.238 -13.856 -0.684
174 HA SER 23 HA SER 23 -1.922 -16.530 -0.641
175 HB2 SER 23 HB2 SER 23 -3.250 -16.296 -2.689
176 HB3 SER 23 HB3 SER 23 -2.435 -14.768 -3.056
177 HG SER 23 HG SER 23 -1.244 -17.332 -2.858
178 H GLY 24 H GLY 24 -1.606 -13.084 -0.292
179 HA2 GLY 24 HA2 GLY 24 0.307 -12.169 0.732
180 HA3 GLY 24 HA3 GLY 24 1.336 -13.372 -0.071
181 H ARG 25 H ARG 25 -1.242 -11.115 -1.335
182 HA ARG 25 HA ARG 25 0.699 -10.316 -3.467
183 HB2 ARG 25 HB2 ARG 25 -2.293 -10.608 -3.397
184 HB3 ARG 25 HB3 ARG 25 -1.577 -9.387 -4.438
185 HG2 ARG 25 HG2 ARG 25 -1.980 -11.525 -5.616
186 HG3 ARG 25 HG3 ARG 25 -0.284 -11.020 -5.666
187 HD2 ARG 25 HD2 ARG 25 0.388 -12.601 -4.047
188 HD3 ARG 25 HD3 ARG 25 -1.259 -12.903 -3.515
189 HE ARG 25 HE ARG 25 0.244 -14.142 -5.655
190 HH11 ARG 25 HH11 ARG 25 -3.138 -13.362 -4.797
191 HH12 ARG 25 HH12 ARG 25 -3.787 -14.394 -6.033
192 HH21 ARG 25 HH21 ARG 25 -0.660 -15.853 -6.894
193 HH22 ARG 25 HH22 ARG 25 -2.355 -16.071 -6.947
194 H VAL 26 H VAL 26 1.640 -8.516 -3.199
195 HA VAL 26 HA VAL 26 0.944 -6.620 -1.123
196 HB VAL 26 HB VAL 26 2.906 -6.477 -3.432
197 HG11 VAL 26 HG11 VAL 26 2.632 -4.709 -0.978
198 HG12 VAL 26 HG12 VAL 26 3.990 -4.664 -2.128
199 HG13 VAL 26 HG13 VAL 26 2.385 -4.181 -2.664
200 HG21 VAL 26 HG21 VAL 26 4.575 -6.944 -1.669
201 HG22 VAL 26 HG22 VAL 26 3.295 -6.995 -0.440
202 HG23 VAL 26 HG23 VAL 26 3.382 -8.249 -1.700
203 H TYR 27 H TYR 27 -0.189 -4.697 -1.171
204 HA TYR 27 HA TYR 27 -0.970 -3.424 -3.627
205 HB2 TYR 27 HB2 TYR 27 -3.311 -3.681 -3.494
206 HB3 TYR 27 HB3 TYR 27 -2.658 -5.289 -3.467
207 HD1 TYR 27 HD1 TYR 27 -2.204 -6.165 -0.851
208 HD2 TYR 27 HD2 TYR 27 -5.126 -3.252 -2.097
209 HE1 TYR 27 HE1 TYR 27 -3.581 -6.668 1.156
210 HE2 TYR 27 HE2 TYR 27 -6.482 -3.744 -0.083
211 HH TYR 27 HH TYR 27 -6.852 -5.425 1.592
212 H TYR 28 H TYR 28 -2.854 -1.694 -2.781
213 HA TYR 28 HA TYR 28 -1.788 -0.424 -0.320
214 HB2 TYR 28 HB2 TYR 28 -2.913 0.942 -2.799
215 HB3 TYR 28 HB3 TYR 28 -2.158 1.689 -1.405
216 HD1 TYR 28 HD2 TYR 28 0.322 0.917 -0.905
217 HD2 TYR 28 HD1 TYR 28 -1.590 0.751 -4.746
218 HE1 TYR 28 HE2 TYR 28 2.541 1.140 -1.994
219 HE2 TYR 28 HE1 TYR 28 0.639 0.870 -5.854
220 HH TYR 28 HH TYR 28 3.176 0.198 -5.041
221 H PHE 29 H PHE 29 -3.407 0.378 1.101
222 HA PHE 29 HA PHE 29 -6.247 0.055 0.345
223 HB2 PHE 29 HB2 PHE 29 -5.815 -1.973 1.512
224 HB3 PHE 29 HB3 PHE 29 -4.772 -1.155 2.675
225 HD1 PHE 29 HD2 PHE 29 -8.285 0.037 1.763
226 HD2 PHE 29 HD1 PHE 29 -5.748 -1.965 4.653
227 HE1 PHE 29 HE2 PHE 29 -10.037 0.232 3.452
228 HE2 PHE 29 HE1 PHE 29 -7.552 -1.765 6.339
229 HZ PHE 29 HZ PHE 29 -9.687 -0.639 5.749
230 H ASN 30 H ASN 30 -7.269 1.776 0.666
231 HA ASN 30 HA ASN 30 -6.327 3.951 2.444
232 HB2 ASN 30 HB2 ASN 30 -7.080 4.155 -0.076
233 HB3 ASN 30 HB3 ASN 30 -8.677 4.128 0.569
234 HD21 ASN 30 HD21 ASN 30 -7.551 6.578 -0.656
235 HD22 ASN 30 HD22 ASN 30 -7.554 7.735 0.632
236 H HIS 31 H HIS 31 -6.992 3.568 4.533
237 HA HIS 31 HA HIS 31 -9.655 2.360 4.956
238 HB2 HIS 31 HB2 HIS 31 -9.142 2.345 7.300
239 HB3 HIS 31 HB3 HIS 31 -7.858 1.605 6.354
240 HD1 HIS 31 HD1 HIS 31 -8.475 4.458 8.779
241 HD2 HIS 31 HD2 HIS 31 -5.495 3.081 6.118
242 HE1 HIS 31 HE1 HIS 31 -6.312 5.609 9.425
243 H ILE 32 H ILE 32 -8.550 5.540 4.457
244 HA ILE 32 HA ILE 32 -10.474 6.881 6.198
245 HB ILE 32 HB ILE 32 -8.290 7.586 4.300
246 HG12 ILE 32 HG12 ILE 32 -7.587 9.100 5.993
247 HG13 ILE 32 HG13 ILE 32 -9.109 8.975 6.871
248 HG21 ILE 32 HG21 ILE 32 -10.039 8.975 3.269
249 HG22 ILE 32 HG22 ILE 32 -10.360 9.703 4.862
250 HG23 ILE 32 HG23 ILE 32 -8.800 9.927 4.083
251 HD11 ILE 32 HD11 ILE 32 -8.611 6.730 7.573
252 HD12 ILE 32 HD12 ILE 32 -7.247 6.602 6.448
253 HD13 ILE 32 HD13 ILE 32 -7.150 7.697 7.851
254 H THR 33 H THR 33 -10.409 5.718 2.867
255 HA THR 33 HA THR 33 -13.251 6.558 2.608
256 HB THR 33 HB THR 33 -11.724 8.001 1.324
257 HG1 THR 33 HG1 THR 33 -13.376 6.393 -0.318
258 HG21 THR 33 HG21 THR 33 -10.565 7.215 -0.627
259 HG22 THR 33 HG22 THR 33 -11.270 5.589 -0.451
260 HG23 THR 33 HG23 THR 33 -10.106 6.182 0.746
261 H ASN 34 H ASN 34 -11.343 3.881 2.959
262 HA ASN 34 HA ASN 34 -11.683 1.664 2.652
263 HB2 ASN 34 HB2 ASN 34 -13.889 2.352 3.485
264 HB3 ASN 34 HB3 ASN 34 -14.504 2.425 1.851
265 HD21 ASN 34 HD21 ASN 34 -13.167 0.043 4.273
266 HD22 ASN 34 HD22 ASN 34 -14.106 -1.232 3.607
267 H ALA 35 H ALA 35 -10.484 3.094 0.577
268 HA ALA 35 HA ALA 35 -11.334 1.589 -1.859
269 HB1 ALA 35 HB1 ALA 35 -11.538 4.018 -2.013
270 HB2 ALA 35 HB2 ALA 35 -9.809 4.197 -1.628
271 HB3 ALA 35 HB3 ALA 35 -10.303 3.389 -3.131
272 H SER 36 H SER 36 -9.976 -0.037 -2.337
273 HA SER 36 HA SER 36 -7.087 0.207 -1.721
274 HB2 SER 36 HB2 SER 36 -6.954 -1.894 -0.730
275 HB3 SER 36 HB3 SER 36 -8.309 -1.107 0.057
276 HG SER 36 HG SER 36 -9.677 -2.306 -1.415
277 H GLN 37 H GLN 37 -5.698 -0.451 -3.310
278 HA GLN 37 HA GLN 37 -6.406 -2.466 -5.201
279 HB2 GLN 37 HB2 GLN 37 -6.314 -1.013 -7.213
280 HB3 GLN 37 HB3 GLN 37 -7.753 -0.777 -6.239
281 HG2 GLN 37 HG2 GLN 37 -6.894 1.317 -5.326
282 HG3 GLN 37 HG3 GLN 37 -5.360 1.100 -6.186
283 HE21 GLN 37 HE21 GLN 37 -8.026 3.074 -6.420
284 HE22 GLN 37 HE22 GLN 37 -8.115 3.111 -8.163
285 H TRP 38 H TRP 38 -4.573 -2.605 -6.885
286 HA TRP 38 HA TRP 38 -2.019 -2.294 -5.498
287 HB2 TRP 38 HB2 TRP 38 -1.279 -3.151 -7.890
288 HB3 TRP 38 HB3 TRP 38 -2.004 -4.253 -6.709
289 HD1 TRP 38 HD1 TRP 38 -3.337 -1.973 -9.560
290 HE1 TRP 38 HE1 TRP 38 -5.409 -3.004 -10.562
291 HE3 TRP 38 HE3 TRP 38 -3.509 -6.257 -6.763
292 HZ2 TRP 38 HZ2 TRP 38 -6.816 -5.568 -10.419
293 HZ3 TRP 38 HZ3 TRP 38 -5.304 -7.935 -7.164
294 HH2 TRP 38 HH2 TRP 38 -6.934 -7.605 -9.017
295 H GLU 39 H GLU 39 -3.952 -0.319 -7.651
296 HA GLU 39 HA GLU 39 -1.780 0.885 -9.063
297 HB2 GLU 39 HB2 GLU 39 -4.211 0.936 -9.778
298 HB3 GLU 39 HB3 GLU 39 -4.475 2.161 -8.521
299 HG2 GLU 39 HG2 GLU 39 -2.847 3.655 -9.523
300 HG3 GLU 39 HG3 GLU 39 -2.354 2.422 -10.687
301 H ARG 40 H ARG 40 -0.355 2.320 -8.302
302 HA ARG 40 HA ARG 40 -0.309 3.149 -5.599
303 HB2 ARG 40 HB2 ARG 40 1.729 2.974 -6.727
304 HB3 ARG 40 HB3 ARG 40 1.207 3.974 -8.081
305 HG2 ARG 40 HG2 ARG 40 1.160 5.433 -5.509
306 HG3 ARG 40 HG3 ARG 40 2.726 4.763 -5.848
307 HD2 ARG 40 HD2 ARG 40 2.885 5.959 -7.967
308 HD3 ARG 40 HD3 ARG 40 1.157 6.296 -7.957
309 HE ARG 40 HE ARG 40 1.416 8.055 -6.602
310 HH11 ARG 40 HH11 ARG 40 4.555 6.330 -6.593
311 HH12 ARG 40 HH12 ARG 40 5.367 7.574 -5.724
312 HH21 ARG 40 HH21 ARG 40 2.486 9.570 -5.235
313 HH22 ARG 40 HH22 ARG 40 4.130 9.314 -4.785
314 HA PRO 41 HA PRO 41 -3.244 6.565 -5.925
315 HB2 PRO 41 HB2 PRO 41 -3.063 7.542 -3.390
316 HB3 PRO 41 HB3 PRO 41 -3.827 5.984 -3.772
317 HG2 PRO 41 HG2 PRO 41 -0.955 6.466 -2.876
318 HG3 PRO 41 HG3 PRO 41 -2.185 5.382 -2.149
319 HD2 PRO 41 HD2 PRO 41 -0.269 4.584 -3.940
320 HD3 PRO 41 HD3 PRO 41 -1.882 3.841 -3.984
321 H SER 42 H SER 42 -3.129 9.076 -5.290
322 HA SER 42 HA SER 42 -0.407 10.166 -5.328
323 HB2 SER 42 HB2 SER 42 -2.357 10.508 -7.643
324 HB3 SER 42 HB3 SER 42 -0.875 11.468 -7.402
325 HG SER 42 HG SER 42 -1.096 8.677 -7.896
326 H GLY 43 H GLY 43 -1.385 10.775 -3.227
327 HA2 GLY 43 HA2 GLY 43 -3.238 13.139 -3.421
328 HA3 GLY 43 HA3 GLY 43 -2.888 12.223 -1.940
Start of MODEL 10
1 H1 GLY 1 H GLY 1 12.127 -11.144 -6.044
2 HA2 GLY 1 HA2 GLY 1 13.581 -11.645 -3.514
3 HA3 GLY 1 HA3 GLY 1 13.857 -10.247 -4.572
4 H LEU 2 H LEU 2 13.381 -9.553 -2.090
5 HA LEU 2 HA LEU 2 10.901 -8.146 -2.128
6 HB2 LEU 2 HB2 LEU 2 10.111 -8.870 0.032
7 HB3 LEU 2 HB3 LEU 2 10.056 -10.172 -1.127
8 HG LEU 2 HG LEU 2 10.558 -10.958 1.063
9 HD11 LEU 2 HD11 LEU 2 11.543 -12.085 -0.963
10 HD12 LEU 2 HD12 LEU 2 12.260 -12.479 0.597
11 HD13 LEU 2 HD13 LEU 2 13.106 -11.367 -0.506
12 HD21 LEU 2 HD21 LEU 2 11.768 -8.961 1.969
13 HD22 LEU 2 HD22 LEU 2 13.231 -9.536 1.137
14 HD23 LEU 2 HD23 LEU 2 12.461 -10.525 2.388
15 H GLU 3 H GLU 3 10.989 -6.533 -0.124
16 HA GLU 3 HA GLU 3 13.721 -6.208 0.895
17 HB2 GLU 3 HB2 GLU 3 13.989 -4.005 -0.013
18 HB3 GLU 3 HB3 GLU 3 13.796 -5.167 -1.322
19 HG2 GLU 3 HG2 GLU 3 11.312 -4.420 -1.393
20 HG3 GLU 3 HG3 GLU 3 11.796 -3.091 -0.325
21 H HIS 4 H HIS 4 13.821 -4.071 2.156
22 HA HIS 4 HA HIS 4 11.310 -3.631 3.699
23 HB2 HIS 4 HB2 HIS 4 14.119 -3.941 4.773
24 HB3 HIS 4 HB3 HIS 4 12.707 -3.527 5.737
25 HD1 HIS 4 HD1 HIS 4 10.672 -5.792 4.774
26 HD2 HIS 4 HD2 HIS 4 14.769 -6.227 5.705
27 HE1 HIS 4 HE1 HIS 4 10.989 -8.200 5.506
28 H MET 5 H MET 5 13.813 -2.040 1.884
29 HA MET 5 HA MET 5 13.933 0.339 3.496
30 HB2 MET 5 HB2 MET 5 14.506 -0.092 0.536
31 HB3 MET 5 HB3 MET 5 14.885 1.375 1.445
32 HG2 MET 5 HG2 MET 5 16.004 -1.407 1.994
33 HG3 MET 5 HG3 MET 5 16.849 -0.095 1.190
34 HE1 MET 5 HE1 MET 5 18.080 1.763 2.255
35 HE2 MET 5 HE2 MET 5 16.556 2.508 2.776
36 HE3 MET 5 HE3 MET 5 17.896 2.329 3.927
37 H ALA 6 H ALA 6 12.112 1.452 3.952
38 HA ALA 6 HA ALA 6 9.830 1.491 2.069
39 HB1 ALA 6 HB1 ALA 6 8.696 2.668 3.900
40 HB2 ALA 6 HB2 ALA 6 9.312 1.086 4.407
41 HB3 ALA 6 HB3 ALA 6 10.160 2.575 4.899
42 H ASP 7 H ASP 7 10.735 2.723 0.396
43 HA ASP 7 HA ASP 7 11.341 5.599 0.999
44 HB2 ASP 7 HB2 ASP 7 13.386 4.562 0.343
45 HB3 ASP 7 HB3 ASP 7 12.614 3.722 -1.010
46 H GLU 8 H GLU 8 9.652 3.267 -1.137
47 HA GLU 8 HA GLU 8 8.701 5.368 -2.904
48 HB2 GLU 8 HB2 GLU 8 7.709 3.657 -4.128
49 HB3 GLU 8 HB3 GLU 8 9.198 2.981 -3.511
50 HG2 GLU 8 HG2 GLU 8 7.894 1.222 -2.933
51 HG3 GLU 8 HG3 GLU 8 7.545 2.173 -1.494
52 H GLU 9 H GLU 9 7.865 4.701 0.213
53 HA GLU 9 HA GLU 9 4.983 4.889 0.047
54 HB2 GLU 9 HB2 GLU 9 6.950 5.010 2.349
55 HB3 GLU 9 HB3 GLU 9 5.181 5.095 2.546
56 HG2 GLU 9 HG2 GLU 9 4.919 2.910 1.465
57 HG3 GLU 9 HG3 GLU 9 6.662 2.793 1.196
58 H LYS 10 H LYS 10 4.858 6.781 -1.293
59 HA LYS 10 HA LYS 10 4.972 9.347 0.234
60 HB2 LYS 10 HB2 LYS 10 5.713 8.832 -2.663
61 HB3 LYS 10 HB3 LYS 10 5.092 10.397 -2.156
62 HG2 LYS 10 HG2 LYS 10 7.246 10.872 -1.754
63 HG3 LYS 10 HG3 LYS 10 6.839 10.174 -0.197
64 HD2 LYS 10 HD2 LYS 10 8.926 9.243 -0.773
65 HD3 LYS 10 HD3 LYS 10 7.763 7.947 -1.083
66 HE2 LYS 10 HE2 LYS 10 7.765 8.423 -3.437
67 HE3 LYS 10 HE3 LYS 10 8.644 9.938 -3.212
68 HZ1 LYS 10 HZ1 LYS 10 10.013 8.045 -4.002
69 HZ2 LYS 10 HZ2 LYS 10 9.845 7.351 -2.483
70 HZ3 LYS 10 HZ3 LYS 10 10.608 8.769 -2.670
71 H LEU 11 H LEU 11 2.889 7.155 -0.448
72 HA LEU 11 HA LEU 11 0.763 8.184 -1.814
73 HB2 LEU 11 HB2 LEU 11 1.113 6.199 0.462
74 HB3 LEU 11 HB3 LEU 11 -0.499 6.729 0.065
75 HG LEU 11 HG LEU 11 0.054 6.150 -2.400
76 HD11 LEU 11 HD11 LEU 11 1.699 4.356 -2.710
77 HD12 LEU 11 HD12 LEU 11 2.196 4.490 -1.013
78 HD13 LEU 11 HD13 LEU 11 2.503 5.826 -2.140
79 HD21 LEU 11 HD21 LEU 11 -0.695 3.845 -2.069
80 HD22 LEU 11 HD22 LEU 11 -1.540 4.913 -0.991
81 HD23 LEU 11 HD23 LEU 11 -0.245 3.940 -0.335
82 HA PRO 12 HA PRO 12 -0.982 11.398 0.625
83 HB2 PRO 12 HB2 PRO 12 -3.657 11.200 -0.074
84 HB3 PRO 12 HB3 PRO 12 -2.364 11.612 -1.249
85 HG2 PRO 12 HG2 PRO 12 -3.584 8.923 -0.642
86 HG3 PRO 12 HG3 PRO 12 -3.462 9.696 -2.246
87 HD2 PRO 12 HD2 PRO 12 -1.654 7.922 -1.322
88 HD3 PRO 12 HD3 PRO 12 -1.123 9.317 -2.330
89 HA PRO 13 HA PRO 13 -2.496 9.841 4.461
90 HB2 PRO 13 HB2 PRO 13 -4.386 11.703 5.280
91 HB3 PRO 13 HB3 PRO 13 -2.610 11.949 5.363
92 HG2 PRO 13 HG2 PRO 13 -4.528 12.860 3.194
93 HG3 PRO 13 HG3 PRO 13 -3.254 13.817 4.017
94 HD2 PRO 13 HD2 PRO 13 -2.798 12.718 1.599
95 HD3 PRO 13 HD3 PRO 13 -1.521 12.656 2.849
96 H GLY 14 H GLY 14 -4.102 8.498 5.195
97 HA2 GLY 14 HA2 GLY 14 -6.307 7.671 5.302
98 HA3 GLY 14 HA3 GLY 14 -6.632 8.201 3.640
99 H TRP 15 H TRP 15 -3.719 7.250 2.922
100 HA TRP 15 HA TRP 15 -4.519 4.466 2.559
101 HB2 TRP 15 HB2 TRP 15 -2.377 6.032 1.152
102 HB3 TRP 15 HB3 TRP 15 -2.595 4.424 0.898
103 HD1 TRP 15 HD1 TRP 15 -4.712 7.606 0.503
104 HE1 TRP 15 HE1 TRP 15 -6.505 7.241 -1.319
105 HE3 TRP 15 HE3 TRP 15 -3.752 2.742 -0.768
106 HZ2 TRP 15 HZ2 TRP 15 -7.619 5.068 -2.787
107 HZ3 TRP 15 HZ3 TRP 15 -5.334 1.482 -2.193
108 HH2 TRP 15 HH2 TRP 15 -7.300 2.634 -3.193
109 H GLU 16 H GLU 16 -2.655 2.875 2.503
110 HA GLU 16 HA GLU 16 -0.577 3.194 4.585
111 HB2 GLU 16 HB2 GLU 16 -3.225 1.925 5.028
112 HB3 GLU 16 HB3 GLU 16 -1.917 0.824 5.340
113 HG2 GLU 16 HG2 GLU 16 -1.762 3.597 6.547
114 HG3 GLU 16 HG3 GLU 16 -2.913 2.444 7.200
115 H LYS 17 H LYS 17 1.144 2.213 3.575
116 HA LYS 17 HA LYS 17 0.680 0.306 1.373
117 HB2 LYS 17 HB2 LYS 17 2.292 2.160 1.415
118 HB3 LYS 17 HB3 LYS 17 3.357 1.223 2.503
119 HG2 LYS 17 HG2 LYS 17 2.320 0.274 -0.187
120 HG3 LYS 17 HG3 LYS 17 3.815 1.184 -0.030
121 HD2 LYS 17 HD2 LYS 17 3.460 -1.437 1.436
122 HD3 LYS 17 HD3 LYS 17 3.617 -1.452 -0.307
123 HE2 LYS 17 HE2 LYS 17 5.596 -0.054 1.551
124 HE3 LYS 17 HE3 LYS 17 5.802 -1.720 0.993
125 HZ1 LYS 17 HZ1 LYS 17 5.670 0.634 -0.815
126 HZ2 LYS 17 HZ2 LYS 17 5.935 -0.896 -1.286
127 HZ3 LYS 17 HZ3 LYS 17 7.045 -0.155 -0.343
128 H ARG 18 H ARG 18 0.291 -1.756 1.786
129 HA ARG 18 HA ARG 18 1.659 -3.116 4.051
130 HB2 ARG 18 HB2 ARG 18 -1.326 -3.011 3.379
131 HB3 ARG 18 HB3 ARG 18 -0.649 -4.110 4.573
132 HG2 ARG 18 HG2 ARG 18 -0.263 -1.087 4.847
133 HG3 ARG 18 HG3 ARG 18 -1.717 -1.812 5.372
134 HD2 ARG 18 HD2 ARG 18 -0.375 -3.347 6.880
135 HD3 ARG 18 HD3 ARG 18 1.127 -2.704 6.186
136 HE ARG 18 HE ARG 18 -0.110 -0.460 7.131
137 HH11 ARG 18 HH11 ARG 18 1.396 -3.348 8.558
138 HH12 ARG 18 HH12 ARG 18 1.563 -2.607 10.121
139 HH21 ARG 18 HH21 ARG 18 0.151 0.477 9.075
140 HH22 ARG 18 HH22 ARG 18 1.050 -0.294 10.350
141 H MET 19 H MET 19 0.767 -5.605 3.831
142 HA MET 19 HA MET 19 1.122 -6.420 1.006
143 HB2 MET 19 HB2 MET 19 3.124 -6.674 2.528
144 HB3 MET 19 HB3 MET 19 2.222 -7.968 3.353
145 HG2 MET 19 HG2 MET 19 1.891 -9.015 1.075
146 HG3 MET 19 HG3 MET 19 2.978 -7.797 0.405
147 HE1 MET 19 HE1 MET 19 5.736 -7.734 1.029
148 HE2 MET 19 HE2 MET 19 5.062 -7.445 2.643
149 HE3 MET 19 HE3 MET 19 6.290 -8.678 2.432
150 H SER 20 H SER 20 -0.368 -7.846 0.297
151 HA SER 20 HA SER 20 -2.737 -8.317 1.890
152 HB2 SER 20 HB2 SER 20 -2.442 -7.996 -0.700
153 HB3 SER 20 HB3 SER 20 -2.119 -9.737 -0.721
154 HG SER 20 HG SER 20 -4.140 -10.137 -0.228
155 H ARG 21 H ARG 21 -2.962 -9.945 3.369
156 HA ARG 21 HA ARG 21 -0.891 -11.840 3.840
157 HB2 ARG 21 HB2 ARG 21 -3.726 -11.493 4.862
158 HB3 ARG 21 HB3 ARG 21 -2.885 -13.009 5.145
159 HG2 ARG 21 HG2 ARG 21 -2.465 -11.740 7.063
160 HG3 ARG 21 HG3 ARG 21 -0.986 -11.817 6.155
161 HD2 ARG 21 HD2 ARG 21 -1.046 -9.646 6.950
162 HD3 ARG 21 HD3 ARG 21 -1.475 -9.510 5.248
163 HE ARG 21 HE ARG 21 -3.611 -9.642 7.322
164 HH11 ARG 21 HH11 ARG 21 -1.817 -7.635 4.921
165 HH12 ARG 21 HH12 ARG 21 -2.862 -6.268 5.125
166 HH21 ARG 21 HH21 ARG 21 -4.919 -7.709 7.598
167 HH22 ARG 21 HH22 ARG 21 -4.684 -6.348 6.563
168 H SER 22 H SER 22 -3.692 -12.050 1.665
169 HA SER 22 HA SER 22 -4.119 -14.686 1.330
170 HB2 SER 22 HB2 SER 22 -4.187 -13.705 -1.259
171 HB3 SER 22 HB3 SER 22 -5.493 -13.639 -0.094
172 HG SER 22 HG SER 22 -5.131 -11.648 -0.989
173 H SER 23 H SER 23 -1.690 -12.892 -0.618
174 HA SER 23 HA SER 23 -0.189 -15.474 -0.964
175 HB2 SER 23 HB2 SER 23 -0.483 -13.306 -3.054
176 HB3 SER 23 HB3 SER 23 0.164 -14.943 -3.254
177 HG SER 23 HG SER 23 -2.064 -14.499 -3.963
178 H GLY 24 H GLY 24 0.015 -12.174 0.040
179 HA2 GLY 24 HA2 GLY 24 1.889 -11.227 1.077
180 HA3 GLY 24 HA3 GLY 24 2.970 -12.344 0.223
181 H ARG 25 H ARG 25 0.270 -10.187 -0.888
182 HA ARG 25 HA ARG 25 2.006 -9.300 -3.114
183 HB2 ARG 25 HB2 ARG 25 -0.980 -9.382 -2.628
184 HB3 ARG 25 HB3 ARG 25 -0.334 -8.208 -3.760
185 HG2 ARG 25 HG2 ARG 25 0.237 -11.194 -4.001
186 HG3 ARG 25 HG3 ARG 25 -1.125 -10.376 -4.743
187 HD2 ARG 25 HD2 ARG 25 0.447 -10.373 -6.464
188 HD3 ARG 25 HD3 ARG 25 0.495 -8.749 -5.804
189 HE ARG 25 HE ARG 25 2.461 -10.795 -4.927
190 HH11 ARG 25 HH11 ARG 25 1.755 -7.965 -7.006
191 HH12 ARG 25 HH12 ARG 25 3.410 -7.536 -7.246
192 HH21 ARG 25 HH21 ARG 25 4.712 -10.279 -5.360
193 HH22 ARG 25 HH22 ARG 25 5.099 -8.976 -6.437
194 H VAL 26 H VAL 26 3.036 -7.451 -2.931
195 HA VAL 26 HA VAL 26 2.495 -5.624 -0.731
196 HB VAL 26 HB VAL 26 4.251 -5.183 -3.190
197 HG11 VAL 26 HG11 VAL 26 4.071 -3.784 -0.472
198 HG12 VAL 26 HG12 VAL 26 5.344 -3.499 -1.671
199 HG13 VAL 26 HG13 VAL 26 3.673 -3.073 -2.055
200 HG21 VAL 26 HG21 VAL 26 6.107 -5.766 -1.613
201 HG22 VAL 26 HG22 VAL 26 4.895 -6.201 -0.383
202 HG23 VAL 26 HG23 VAL 26 5.026 -7.131 -1.883
203 H TYR 27 H TYR 27 1.020 -3.979 -0.697
204 HA TYR 27 HA TYR 27 0.055 -2.708 -3.096
205 HB2 TYR 27 HB2 TYR 27 -2.184 -3.408 -3.058
206 HB3 TYR 27 HB3 TYR 27 -1.300 -4.894 -3.033
207 HD1 TYR 27 HD1 TYR 27 -0.648 -5.264 -0.117
208 HD2 TYR 27 HD2 TYR 27 -4.225 -3.692 -1.951
209 HE1 TYR 27 HE1 TYR 27 -1.923 -5.772 1.914
210 HE2 TYR 27 HE2 TYR 27 -5.498 -4.317 0.076
211 HH TYR 27 HH TYR 27 -5.009 -6.187 2.113
212 H TYR 28 H TYR 28 -2.084 -1.457 -2.198
213 HA TYR 28 HA TYR 28 -1.265 -0.180 0.377
214 HB2 TYR 28 HB2 TYR 28 -2.644 1.177 -1.921
215 HB3 TYR 28 HB3 TYR 28 -1.817 1.905 -0.525
216 HD1 TYR 28 HD2 TYR 28 0.652 1.924 -0.399
217 HD2 TYR 28 HD1 TYR 28 -1.391 0.515 -3.910
218 HE1 TYR 28 HE2 TYR 28 2.740 2.172 -1.703
219 HE2 TYR 28 HE1 TYR 28 0.736 0.613 -5.175
220 HH TYR 28 HH TYR 28 3.822 1.816 -3.721
221 H PHE 29 H PHE 29 -3.025 0.516 1.731
222 HA PHE 29 HA PHE 29 -5.733 -0.627 0.992
223 HB2 PHE 29 HB2 PHE 29 -5.040 -2.451 2.327
224 HB3 PHE 29 HB3 PHE 29 -4.100 -1.402 3.392
225 HD1 PHE 29 HD2 PHE 29 -7.751 -0.946 2.453
226 HD2 PHE 29 HD1 PHE 29 -4.877 -1.861 5.541
227 HE1 PHE 29 HE2 PHE 29 -9.489 -0.611 4.139
228 HE2 PHE 29 HE1 PHE 29 -6.677 -1.586 7.242
229 HZ PHE 29 HZ PHE 29 -8.984 -0.941 6.530
230 H ASN 30 H ASN 30 -6.938 1.082 0.942
231 HA ASN 30 HA ASN 30 -6.416 3.343 2.727
232 HB2 ASN 30 HB2 ASN 30 -7.192 3.533 0.240
233 HB3 ASN 30 HB3 ASN 30 -8.738 3.200 0.787
234 HD21 ASN 30 HD21 ASN 30 -6.889 6.019 0.456
235 HD22 ASN 30 HD22 ASN 30 -7.923 6.974 1.500
236 H HIS 31 H HIS 31 -6.989 3.149 4.730
237 HA HIS 31 HA HIS 31 -9.311 1.592 5.608
238 HB2 HIS 31 HB2 HIS 31 -8.478 2.340 7.885
239 HB3 HIS 31 HB3 HIS 31 -7.393 1.354 6.923
240 HD1 HIS 31 HD1 HIS 31 -7.473 4.724 8.637
241 HD2 HIS 31 HD2 HIS 31 -5.274 2.679 5.678
242 HE1 HIS 31 HE1 HIS 31 -5.281 6.006 8.304
243 H ILE 32 H ILE 32 -8.978 4.803 4.511
244 HA ILE 32 HA ILE 32 -10.962 5.990 6.333
245 HB ILE 32 HB ILE 32 -8.969 6.857 4.255
246 HG12 ILE 32 HG12 ILE 32 -8.569 8.682 5.785
247 HG13 ILE 32 HG13 ILE 32 -9.957 8.197 6.768
248 HG21 ILE 32 HG21 ILE 32 -9.953 9.094 3.937
249 HG22 ILE 32 HG22 ILE 32 -10.839 7.808 3.117
250 HG23 ILE 32 HG23 ILE 32 -11.476 8.508 4.634
251 HD11 ILE 32 HD11 ILE 32 -7.648 6.307 6.246
252 HD12 ILE 32 HD12 ILE 32 -7.606 7.476 7.567
253 HD13 ILE 32 HD13 ILE 32 -8.869 6.232 7.538
254 H THR 33 H THR 33 -10.684 4.787 3.031
255 HA THR 33 HA THR 33 -13.603 5.229 2.613
256 HB THR 33 HB THR 33 -11.795 6.602 1.428
257 HG1 THR 33 HG1 THR 33 -13.020 6.341 -0.632
258 HG21 THR 33 HG21 THR 33 -11.698 4.480 -0.638
259 HG22 THR 33 HG22 THR 33 -10.568 4.424 0.728
260 HG23 THR 33 HG23 THR 33 -10.597 5.849 -0.319
261 H ASN 34 H ASN 34 -11.408 2.778 3.260
262 HA ASN 34 HA ASN 34 -11.503 0.532 3.061
263 HB2 ASN 34 HB2 ASN 34 -13.911 1.240 3.761
264 HB3 ASN 34 HB3 ASN 34 -14.380 0.753 2.147
265 HD21 ASN 34 HD21 ASN 34 -14.656 -0.258 5.083
266 HD22 ASN 34 HD22 ASN 34 -14.418 -1.979 4.977
267 H ALA 35 H ALA 35 -10.255 1.730 1.070
268 HA ALA 35 HA ALA 35 -10.983 0.204 -1.396
269 HB1 ALA 35 HB1 ALA 35 -11.545 2.598 -1.748
270 HB2 ALA 35 HB2 ALA 35 -9.852 3.033 -1.402
271 HB3 ALA 35 HB3 ALA 35 -10.242 2.021 -2.795
272 H SER 36 H SER 36 -9.467 -1.252 -1.516
273 HA SER 36 HA SER 36 -6.621 -0.572 -0.982
274 HB2 SER 36 HB2 SER 36 -6.276 -2.516 0.158
275 HB3 SER 36 HB3 SER 36 -7.849 -2.039 0.728
276 HG SER 36 HG SER 36 -8.603 -3.876 0.085
277 H GLN 37 H GLN 37 -5.174 -0.906 -2.652
278 HA GLN 37 HA GLN 37 -5.566 -3.016 -4.495
279 HB2 GLN 37 HB2 GLN 37 -5.640 -1.284 -6.459
280 HB3 GLN 37 HB3 GLN 37 -7.099 -1.833 -5.686
281 HG2 GLN 37 HG2 GLN 37 -7.258 0.308 -4.420
282 HG3 GLN 37 HG3 GLN 37 -5.743 0.841 -5.172
283 HE21 GLN 37 HE21 GLN 37 -7.054 2.721 -6.048
284 HE22 GLN 37 HE22 GLN 37 -7.943 2.442 -7.512
285 H TRP 38 H TRP 38 -3.938 -2.672 -6.302
286 HA TRP 38 HA TRP 38 -1.338 -1.953 -5.136
287 HB2 TRP 38 HB2 TRP 38 -0.644 -3.045 -7.335
288 HB3 TRP 38 HB3 TRP 38 -1.427 -4.078 -6.165
289 HD1 TRP 38 HD1 TRP 38 -2.527 -2.050 -9.320
290 HE1 TRP 38 HE1 TRP 38 -4.519 -3.247 -10.407
291 HE3 TRP 38 HE3 TRP 38 -2.979 -6.027 -6.109
292 HZ2 TRP 38 HZ2 TRP 38 -5.877 -5.768 -10.140
293 HZ3 TRP 38 HZ3 TRP 38 -4.659 -7.801 -6.563
294 HH2 TRP 38 HH2 TRP 38 -6.102 -7.679 -8.562
295 H GLU 39 H GLU 39 -3.785 -0.700 -7.196
296 HA GLU 39 HA GLU 39 -2.232 0.969 -8.954
297 HB2 GLU 39 HB2 GLU 39 -4.370 -0.058 -9.574
298 HB3 GLU 39 HB3 GLU 39 -5.202 0.840 -8.294
299 HG2 GLU 39 HG2 GLU 39 -4.679 2.967 -9.410
300 HG3 GLU 39 HG3 GLU 39 -3.649 2.129 -10.577
301 H ARG 40 H ARG 40 -1.041 2.415 -7.946
302 HA ARG 40 HA ARG 40 -1.369 3.566 -5.509
303 HB2 ARG 40 HB2 ARG 40 0.164 4.427 -7.961
304 HB3 ARG 40 HB3 ARG 40 0.242 5.373 -6.472
305 HG2 ARG 40 HG2 ARG 40 1.072 3.560 -5.191
306 HG3 ARG 40 HG3 ARG 40 0.693 2.368 -6.444
307 HD2 ARG 40 HD2 ARG 40 2.633 4.546 -7.090
308 HD3 ARG 40 HD3 ARG 40 3.162 3.236 -6.047
309 HE ARG 40 HE ARG 40 2.300 3.015 -8.879
310 HH11 ARG 40 HH11 ARG 40 3.762 1.380 -6.081
311 HH12 ARG 40 HH12 ARG 40 4.165 -0.057 -6.970
312 HH21 ARG 40 HH21 ARG 40 2.771 1.161 -10.004
313 HH22 ARG 40 HH22 ARG 40 3.466 -0.246 -9.244
314 HA PRO 41 HA PRO 41 -4.599 6.641 -5.898
315 HB2 PRO 41 HB2 PRO 41 -4.366 7.791 -3.441
316 HB3 PRO 41 HB3 PRO 41 -4.847 6.094 -3.680
317 HG2 PRO 41 HG2 PRO 41 -1.994 7.091 -3.130
318 HG3 PRO 41 HG3 PRO 41 -2.956 5.903 -2.165
319 HD2 PRO 41 HD2 PRO 41 -1.222 5.183 -4.095
320 HD3 PRO 41 HD3 PRO 41 -2.777 4.327 -3.881
321 H SER 42 H SER 42 -4.782 9.203 -5.148
322 HA SER 42 HA SER 42 -2.359 10.722 -5.597
323 HB2 SER 42 HB2 SER 42 -3.301 11.877 -7.623
324 HB3 SER 42 HB3 SER 42 -2.784 10.206 -7.896
325 HG SER 42 HG SER 42 -5.416 11.178 -7.537
326 H GLY 43 H GLY 43 -3.152 11.172 -3.397
327 HA2 GLY 43 HA2 GLY 43 -5.384 13.142 -3.274
328 HA3 GLY 43 HA3 GLY 43 -4.835 12.131 -1.934
Start of MODEL 11
1 H1 GLY 1 H GLY 1 16.367 -5.681 -6.832
2 HA2 GLY 1 HA2 GLY 1 14.280 -4.343 -7.111
3 HA3 GLY 1 HA3 GLY 1 13.429 -5.900 -7.098
4 H LEU 2 H LEU 2 15.799 -4.037 -5.167
5 HA LEU 2 HA LEU 2 14.371 -4.323 -2.666
6 HB2 LEU 2 HB2 LEU 2 15.684 -6.440 -2.778
7 HB3 LEU 2 HB3 LEU 2 17.174 -5.527 -3.019
8 HG LEU 2 HG LEU 2 15.385 -5.257 -0.545
9 HD11 LEU 2 HD11 LEU 2 17.856 -6.991 -0.976
10 HD12 LEU 2 HD12 LEU 2 16.180 -7.556 -0.761
11 HD13 LEU 2 HD13 LEU 2 17.011 -6.752 0.571
12 HD21 LEU 2 HD21 LEU 2 18.265 -4.392 -1.086
13 HD22 LEU 2 HD22 LEU 2 17.554 -4.484 0.530
14 HD23 LEU 2 HD23 LEU 2 16.883 -3.355 -0.637
15 H GLU 3 H GLU 3 14.228 -2.052 -2.927
16 HA GLU 3 HA GLU 3 16.652 -0.587 -3.631
17 HB2 GLU 3 HB2 GLU 3 14.132 -0.249 -4.447
18 HB3 GLU 3 HB3 GLU 3 13.988 0.682 -2.961
19 HG2 GLU 3 HG2 GLU 3 14.565 2.070 -4.947
20 HG3 GLU 3 HG3 GLU 3 15.783 2.159 -3.681
21 H HIS 4 H HIS 4 17.897 0.628 -2.262
22 HA HIS 4 HA HIS 4 17.747 0.032 0.529
23 HB2 HIS 4 HB2 HIS 4 19.840 0.674 -0.704
24 HB3 HIS 4 HB3 HIS 4 19.222 2.319 -0.849
25 HD1 HIS 4 HD1 HIS 4 18.916 0.318 2.482
26 HD2 HIS 4 HD2 HIS 4 21.013 3.505 0.666
27 HE1 HIS 4 HE1 HIS 4 20.381 1.323 4.268
28 H MET 5 H MET 5 16.910 2.939 -1.437
29 HA MET 5 HA MET 5 15.702 4.255 0.896
30 HB2 MET 5 HB2 MET 5 15.675 5.014 -2.054
31 HB3 MET 5 HB3 MET 5 15.109 6.009 -0.703
32 HG2 MET 5 HG2 MET 5 17.953 5.130 -1.313
33 HG3 MET 5 HG3 MET 5 17.297 6.759 -1.370
34 HE1 MET 5 HE1 MET 5 15.710 7.201 1.270
35 HE2 MET 5 HE2 MET 5 16.990 7.833 2.326
36 HE3 MET 5 HE3 MET 5 16.917 8.336 0.621
37 H ALA 6 H ALA 6 14.095 2.936 1.584
38 HA ALA 6 HA ALA 6 12.390 1.395 -0.136
39 HB1 ALA 6 HB1 ALA 6 11.980 2.283 2.761
40 HB2 ALA 6 HB2 ALA 6 11.035 1.047 1.906
41 HB3 ALA 6 HB3 ALA 6 12.747 0.761 2.228
42 H ASP 7 H ASP 7 11.090 2.405 -1.554
43 HA ASP 7 HA ASP 7 9.788 5.006 -0.778
44 HB2 ASP 7 HB2 ASP 7 10.179 3.819 -3.523
45 HB3 ASP 7 HB3 ASP 7 9.353 5.321 -3.162
46 H GLU 8 H GLU 8 9.320 1.661 -1.227
47 HA GLU 8 HA GLU 8 6.640 1.471 -2.174
48 HB2 GLU 8 HB2 GLU 8 6.885 -0.861 -1.349
49 HB3 GLU 8 HB3 GLU 8 8.186 -0.353 -2.387
50 HG2 GLU 8 HG2 GLU 8 8.758 0.162 0.499
51 HG3 GLU 8 HG3 GLU 8 8.432 -1.529 0.150
52 H GLU 9 H GLU 9 7.509 2.948 0.619
53 HA GLU 9 HA GLU 9 5.061 2.153 2.042
54 HB2 GLU 9 HB2 GLU 9 6.417 2.609 4.169
55 HB3 GLU 9 HB3 GLU 9 6.635 1.115 3.278
56 HG2 GLU 9 HG2 GLU 9 8.738 1.705 4.050
57 HG3 GLU 9 HG3 GLU 9 8.760 1.914 2.312
58 H LYS 10 H LYS 10 6.325 4.388 0.252
59 HA LYS 10 HA LYS 10 5.797 6.846 1.713
60 HB2 LYS 10 HB2 LYS 10 6.185 6.298 -1.264
61 HB3 LYS 10 HB3 LYS 10 6.006 7.905 -0.610
62 HG2 LYS 10 HG2 LYS 10 8.247 6.037 0.231
63 HG3 LYS 10 HG3 LYS 10 8.357 7.269 -1.031
64 HD2 LYS 10 HD2 LYS 10 9.180 8.500 0.716
65 HD3 LYS 10 HD3 LYS 10 7.466 8.873 0.915
66 HE2 LYS 10 HE2 LYS 10 7.551 6.657 2.445
67 HE3 LYS 10 HE3 LYS 10 9.253 7.028 2.507
68 HZ1 LYS 10 HZ1 LYS 10 8.545 9.303 3.258
69 HZ2 LYS 10 HZ2 LYS 10 8.212 8.069 4.322
70 HZ3 LYS 10 HZ3 LYS 10 7.023 8.733 3.373
71 H LEU 11 H LEU 11 3.464 4.742 1.207
72 HA LEU 11 HA LEU 11 1.549 5.881 -0.340
73 HB2 LEU 11 HB2 LEU 11 0.994 4.723 2.401
74 HB3 LEU 11 HB3 LEU 11 -0.139 4.905 1.085
75 HG LEU 11 HG LEU 11 2.077 2.906 1.385
76 HD11 LEU 11 HD11 LEU 11 -0.814 2.593 0.446
77 HD12 LEU 11 HD12 LEU 11 -0.359 2.613 2.161
78 HD13 LEU 11 HD13 LEU 11 0.267 1.358 1.111
79 HD21 LEU 11 HD21 LEU 11 2.327 3.836 -0.934
80 HD22 LEU 11 HD22 LEU 11 0.621 3.429 -1.249
81 HD23 LEU 11 HD23 LEU 11 1.837 2.181 -0.900
82 HA PRO 12 HA PRO 12 0.533 9.820 1.410
83 HB2 PRO 12 HB2 PRO 12 -1.946 10.222 0.241
84 HB3 PRO 12 HB3 PRO 12 -0.419 10.239 -0.667
85 HG2 PRO 12 HG2 PRO 12 -2.332 7.968 -0.224
86 HG3 PRO 12 HG3 PRO 12 -1.682 8.516 -1.806
87 HD2 PRO 12 HD2 PRO 12 -0.640 6.436 -0.483
88 HD3 PRO 12 HD3 PRO 12 0.448 7.597 -1.314
89 HA PRO 13 HA PRO 13 -1.818 9.456 5.039
90 HB2 PRO 13 HB2 PRO 13 -3.376 11.740 5.206
91 HB3 PRO 13 HB3 PRO 13 -1.621 11.644 5.537
92 HG2 PRO 13 HG2 PRO 13 -2.989 12.456 2.948
93 HG3 PRO 13 HG3 PRO 13 -1.656 13.297 3.800
94 HD2 PRO 13 HD2 PRO 13 -1.133 11.664 1.737
95 HD3 PRO 13 HD3 PRO 13 -0.091 11.604 3.188
96 H GLY 14 H GLY 14 -3.344 8.031 5.444
97 HA2 GLY 14 HA2 GLY 14 -5.585 7.455 5.674
98 HA3 GLY 14 HA3 GLY 14 -6.010 8.200 4.123
99 H TRP 15 H TRP 15 -3.130 6.701 3.423
100 HA TRP 15 HA TRP 15 -4.506 4.197 2.608
101 HB2 TRP 15 HB2 TRP 15 -2.118 5.649 1.520
102 HB3 TRP 15 HB3 TRP 15 -2.405 3.946 1.202
103 HD1 TRP 15 HD1 TRP 15 -4.143 7.339 0.620
104 HE1 TRP 15 HE1 TRP 15 -5.296 7.269 -1.641
105 HE3 TRP 15 HE3 TRP 15 -3.707 2.356 -0.333
106 HZ2 TRP 15 HZ2 TRP 15 -6.310 5.225 -3.451
107 HZ3 TRP 15 HZ3 TRP 15 -4.915 1.336 -2.271
108 HH2 TRP 15 HH2 TRP 15 -6.261 2.776 -3.783
109 H GLU 16 H GLU 16 -3.426 2.294 2.804
110 HA GLU 16 HA GLU 16 -1.353 2.080 4.947
111 HB2 GLU 16 HB2 GLU 16 -4.166 1.456 5.200
112 HB3 GLU 16 HB3 GLU 16 -3.236 0.008 5.403
113 HG2 GLU 16 HG2 GLU 16 -2.488 2.568 6.864
114 HG3 GLU 16 HG3 GLU 16 -3.714 1.448 7.458
115 H LYS 17 H LYS 17 0.213 0.820 4.406
116 HA LYS 17 HA LYS 17 -0.005 -0.985 2.082
117 HB2 LYS 17 HB2 LYS 17 1.902 0.697 2.616
118 HB3 LYS 17 HB3 LYS 17 2.434 -0.473 3.810
119 HG2 LYS 17 HG2 LYS 17 1.988 -1.011 0.852
120 HG3 LYS 17 HG3 LYS 17 3.555 -0.614 1.544
121 HD2 LYS 17 HD2 LYS 17 1.855 -3.109 2.079
122 HD3 LYS 17 HD3 LYS 17 3.269 -3.001 1.040
123 HE2 LYS 17 HE2 LYS 17 4.770 -3.022 2.722
124 HE3 LYS 17 HE3 LYS 17 3.857 -1.882 3.689
125 HZ1 LYS 17 HZ1 LYS 17 3.494 -4.801 3.641
126 HZ2 LYS 17 HZ2 LYS 17 2.506 -3.728 4.499
127 HZ3 LYS 17 HZ3 LYS 17 4.082 -3.850 4.829
128 H ARG 18 H ARG 18 -1.147 -2.693 2.707
129 HA ARG 18 HA ARG 18 -0.178 -4.393 4.947
130 HB2 ARG 18 HB2 ARG 18 -3.103 -4.363 4.249
131 HB3 ARG 18 HB3 ARG 18 -2.268 -4.864 5.710
132 HG2 ARG 18 HG2 ARG 18 -1.761 -2.311 6.046
133 HG3 ARG 18 HG3 ARG 18 -3.074 -2.105 4.871
134 HD2 ARG 18 HD2 ARG 18 -4.533 -3.549 6.296
135 HD3 ARG 18 HD3 ARG 18 -3.218 -3.690 7.467
136 HE ARG 18 HE ARG 18 -4.271 -0.976 6.810
137 HH11 ARG 18 HH11 ARG 18 -4.323 -3.609 9.195
138 HH12 ARG 18 HH12 ARG 18 -4.582 -2.542 10.540
139 HH21 ARG 18 HH21 ARG 18 -4.871 0.350 8.519
140 HH22 ARG 18 HH22 ARG 18 -4.986 -0.242 10.130
141 H MET 19 H MET 19 -1.609 -6.695 4.579
142 HA MET 19 HA MET 19 -1.023 -7.553 1.801
143 HB2 MET 19 HB2 MET 19 0.616 -8.218 3.597
144 HB3 MET 19 HB3 MET 19 -0.687 -9.217 4.307
145 HG2 MET 19 HG2 MET 19 -0.889 -10.378 2.114
146 HG3 MET 19 HG3 MET 19 0.531 -9.490 1.544
147 HE1 MET 19 HE1 MET 19 3.343 -10.767 3.892
148 HE2 MET 19 HE2 MET 19 3.060 -10.064 2.288
149 HE3 MET 19 HE3 MET 19 2.396 -9.265 3.732
150 H SER 20 H SER 20 -2.502 -8.986 0.874
151 HA SER 20 HA SER 20 -5.200 -8.960 1.997
152 HB2 SER 20 HB2 SER 20 -4.521 -8.699 -0.462
153 HB3 SER 20 HB3 SER 20 -4.225 -10.430 -0.471
154 HG SER 20 HG SER 20 -6.340 -10.064 -1.094
155 H ARG 21 H ARG 21 -5.580 -10.476 3.648
156 HA ARG 21 HA ARG 21 -3.798 -12.681 4.031
157 HB2 ARG 21 HB2 ARG 21 -5.149 -13.333 5.844
158 HB3 ARG 21 HB3 ARG 21 -5.066 -11.580 5.827
159 HG2 ARG 21 HG2 ARG 21 -7.279 -11.747 6.236
160 HG3 ARG 21 HG3 ARG 21 -7.395 -11.871 4.477
161 HD2 ARG 21 HD2 ARG 21 -7.316 -14.404 4.752
162 HD3 ARG 21 HD3 ARG 21 -7.365 -14.177 6.497
163 HE ARG 21 HE ARG 21 -9.481 -13.861 4.532
164 HH11 ARG 21 HH11 ARG 21 -8.556 -13.083 7.917
165 HH12 ARG 21 HH12 ARG 21 -10.201 -12.740 8.377
166 HH21 ARG 21 HH21 ARG 21 -11.573 -13.330 5.180
167 HH22 ARG 21 HH22 ARG 21 -11.960 -12.920 6.812
168 H SER 22 H SER 22 -6.424 -12.418 1.766
169 HA SER 22 HA SER 22 -7.516 -14.926 1.730
170 HB2 SER 22 HB2 SER 22 -6.739 -13.315 -0.720
171 HB3 SER 22 HB3 SER 22 -8.114 -14.429 -0.536
172 HG SER 22 HG SER 22 -8.764 -12.254 -0.342
173 H SER 23 H SER 23 -4.445 -13.943 0.123
174 HA SER 23 HA SER 23 -3.550 -16.758 0.248
175 HB2 SER 23 HB2 SER 23 -4.266 -16.692 -1.954
176 HB3 SER 23 HB3 SER 23 -3.765 -15.027 -2.213
177 HG SER 23 HG SER 23 -1.887 -17.110 -1.768
178 H GLY 24 H GLY 24 -2.880 -13.292 0.635
179 HA2 GLY 24 HA2 GLY 24 -1.194 -12.617 2.083
180 HA3 GLY 24 HA3 GLY 24 -0.175 -13.966 1.583
181 H ARG 25 H ARG 25 -1.970 -11.188 -0.098
182 HA ARG 25 HA ARG 25 0.532 -10.839 -1.714
183 HB2 ARG 25 HB2 ARG 25 -2.343 -10.903 -2.524
184 HB3 ARG 25 HB3 ARG 25 -1.424 -9.573 -3.177
185 HG2 ARG 25 HG2 ARG 25 -0.631 -12.497 -3.458
186 HG3 ARG 25 HG3 ARG 25 -1.438 -11.515 -4.682
187 HD2 ARG 25 HD2 ARG 25 1.393 -11.129 -3.630
188 HD3 ARG 25 HD3 ARG 25 0.875 -11.651 -5.219
189 HE ARG 25 HE ARG 25 0.483 -8.904 -4.097
190 HH11 ARG 25 HH11 ARG 25 1.380 -10.885 -6.934
191 HH12 ARG 25 HH12 ARG 25 1.260 -9.520 -8.005
192 HH21 ARG 25 HH21 ARG 25 0.529 -7.140 -5.543
193 HH22 ARG 25 HH22 ARG 25 0.794 -7.462 -7.228
194 H VAL 26 H VAL 26 1.595 -8.987 -1.328
195 HA VAL 26 HA VAL 26 0.589 -7.074 0.530
196 HB VAL 26 HB VAL 26 2.913 -6.927 -1.435
197 HG11 VAL 26 HG11 VAL 26 2.359 -4.717 -0.485
198 HG12 VAL 26 HG12 VAL 26 2.332 -5.418 1.158
199 HG13 VAL 26 HG13 VAL 26 3.849 -5.324 0.226
200 HG21 VAL 26 HG21 VAL 26 3.163 -8.901 0.029
201 HG22 VAL 26 HG22 VAL 26 4.287 -7.641 0.493
202 HG23 VAL 26 HG23 VAL 26 2.821 -7.893 1.462
203 H TYR 27 H TYR 27 -0.383 -5.085 0.206
204 HA TYR 27 HA TYR 27 -0.641 -3.886 -2.426
205 HB2 TYR 27 HB2 TYR 27 -3.003 -3.995 -2.674
206 HB3 TYR 27 HB3 TYR 27 -2.440 -5.626 -2.518
207 HD1 TYR 27 HD1 TYR 27 -2.360 -6.281 0.300
208 HD2 TYR 27 HD2 TYR 27 -5.098 -3.604 -1.690
209 HE1 TYR 27 HE1 TYR 27 -3.901 -6.411 2.193
210 HE2 TYR 27 HE2 TYR 27 -6.667 -3.824 0.225
211 HH TYR 27 HH TYR 27 -7.029 -4.785 2.369
212 H TYR 28 H TYR 28 -2.299 -1.998 -2.196
213 HA TYR 28 HA TYR 28 -1.751 -0.515 0.299
214 HB2 TYR 28 HB2 TYR 28 -2.538 0.548 -2.419
215 HB3 TYR 28 HB3 TYR 28 -1.809 1.422 -1.103
216 HD1 TYR 28 HD2 TYR 28 0.467 -0.133 -0.277
217 HD2 TYR 28 HD1 TYR 28 -1.018 0.437 -4.255
218 HE1 TYR 28 HE2 TYR 28 2.793 -0.326 -1.139
219 HE2 TYR 28 HE1 TYR 28 1.281 0.084 -5.148
220 HH TYR 28 HH TYR 28 4.144 -0.095 -3.104
221 H PHE 29 H PHE 29 -3.503 0.276 1.452
222 HA PHE 29 HA PHE 29 -6.249 -0.045 0.351
223 HB2 PHE 29 HB2 PHE 29 -5.974 -2.020 1.637
224 HB3 PHE 29 HB3 PHE 29 -5.067 -1.162 2.879
225 HD1 PHE 29 HD2 PHE 29 -8.451 0.005 1.573
226 HD2 PHE 29 HD1 PHE 29 -6.196 -1.911 4.751
227 HE1 PHE 29 HE2 PHE 29 -10.290 0.377 3.138
228 HE2 PHE 29 HE1 PHE 29 -8.119 -1.577 6.287
229 HZ PHE 29 HZ PHE 29 -10.120 -0.357 5.492
230 H ASN 30 H ASN 30 -7.226 1.773 0.409
231 HA ASN 30 HA ASN 30 -6.398 4.022 2.098
232 HB2 ASN 30 HB2 ASN 30 -7.039 4.054 -0.397
233 HB3 ASN 30 HB3 ASN 30 -8.681 3.971 0.150
234 HD21 ASN 30 HD21 ASN 30 -7.453 6.350 -1.182
235 HD22 ASN 30 HD22 ASN 30 -7.704 7.643 -0.039
236 H HIS 31 H HIS 31 -7.100 3.697 4.191
237 HA HIS 31 HA HIS 31 -9.749 2.587 4.772
238 HB2 HIS 31 HB2 HIS 31 -9.131 3.097 7.130
239 HB3 HIS 31 HB3 HIS 31 -8.052 2.021 6.277
240 HD1 HIS 31 HD1 HIS 31 -8.076 5.396 8.041
241 HD2 HIS 31 HD2 HIS 31 -5.540 2.929 5.757
242 HE1 HIS 31 HE1 HIS 31 -5.720 6.307 8.342
243 H ILE 32 H ILE 32 -8.699 5.735 3.825
244 HA ILE 32 HA ILE 32 -10.639 7.171 5.510
245 HB ILE 32 HB ILE 32 -8.431 7.815 3.636
246 HG12 ILE 32 HG12 ILE 32 -8.006 9.596 5.207
247 HG13 ILE 32 HG13 ILE 32 -9.611 9.428 5.931
248 HG21 ILE 32 HG21 ILE 32 -10.782 9.722 3.743
249 HG22 ILE 32 HG22 ILE 32 -9.152 10.123 3.174
250 HG23 ILE 32 HG23 ILE 32 -10.103 8.930 2.300
251 HD11 ILE 32 HD11 ILE 32 -7.590 8.466 7.218
252 HD12 ILE 32 HD12 ILE 32 -9.023 7.439 7.063
253 HD13 ILE 32 HD13 ILE 32 -7.625 7.157 6.013
254 H THR 33 H THR 33 -10.420 5.835 2.248
255 HA THR 33 HA THR 33 -13.288 6.621 1.879
256 HB THR 33 HB THR 33 -11.353 7.846 0.718
257 HG1 THR 33 HG1 THR 33 -13.585 8.065 0.310
258 HG21 THR 33 HG21 THR 33 -10.471 6.997 -1.268
259 HG22 THR 33 HG22 THR 33 -11.518 5.555 -1.206
260 HG23 THR 33 HG23 THR 33 -10.242 5.801 0.026
261 H ASN 34 H ASN 34 -11.334 3.942 2.278
262 HA ASN 34 HA ASN 34 -11.638 1.776 2.039
263 HB2 ASN 34 HB2 ASN 34 -13.710 2.292 3.016
264 HB3 ASN 34 HB3 ASN 34 -14.513 2.449 1.456
265 HD21 ASN 34 HD21 ASN 34 -15.681 0.667 0.917
266 HD22 ASN 34 HD22 ASN 34 -15.232 -0.995 1.203
267 H ALA 35 H ALA 35 -10.350 2.844 0.169
268 HA ALA 35 HA ALA 35 -11.134 1.408 -2.353
269 HB1 ALA 35 HB1 ALA 35 -9.823 3.207 -3.477
270 HB2 ALA 35 HB2 ALA 35 -11.281 3.803 -2.617
271 HB3 ALA 35 HB3 ALA 35 -9.655 4.034 -1.922
272 H SER 36 H SER 36 -9.724 -0.271 -2.669
273 HA SER 36 HA SER 36 -6.889 0.019 -1.835
274 HB2 SER 36 HB2 SER 36 -6.831 -2.117 -0.850
275 HB3 SER 36 HB3 SER 36 -8.122 -1.192 -0.091
276 HG SER 36 HG SER 36 -9.493 -2.386 -1.787
277 H GLN 37 H GLN 37 -5.314 -0.850 -3.072
278 HA GLN 37 HA GLN 37 -5.824 -2.818 -5.140
279 HB2 GLN 37 HB2 GLN 37 -5.155 -1.183 -7.004
280 HB3 GLN 37 HB3 GLN 37 -6.769 -0.975 -6.341
281 HG2 GLN 37 HG2 GLN 37 -5.914 0.910 -4.900
282 HG3 GLN 37 HG3 GLN 37 -4.338 0.730 -5.650
283 HE21 GLN 37 HE21 GLN 37 -7.714 0.756 -7.119
284 HE22 GLN 37 HE22 GLN 37 -7.395 2.210 -8.043
285 H TRP 38 H TRP 38 -3.804 -3.242 -6.384
286 HA TRP 38 HA TRP 38 -1.374 -3.086 -4.714
287 HB2 TRP 38 HB2 TRP 38 -0.489 -4.133 -6.977
288 HB3 TRP 38 HB3 TRP 38 -1.459 -5.130 -5.867
289 HD1 TRP 38 HD1 TRP 38 -2.009 -2.959 -9.054
290 HE1 TRP 38 HE1 TRP 38 -4.092 -3.709 -10.251
291 HE3 TRP 38 HE3 TRP 38 -3.274 -6.900 -6.017
292 HZ2 TRP 38 HZ2 TRP 38 -6.067 -5.829 -9.982
293 HZ3 TRP 38 HZ3 TRP 38 -5.236 -8.305 -6.565
294 HH2 TRP 38 HH2 TRP 38 -6.655 -7.761 -8.525
295 H GLU 39 H GLU 39 -2.932 -1.268 -7.162
296 HA GLU 39 HA GLU 39 -0.664 -0.207 -8.576
297 HB2 GLU 39 HB2 GLU 39 -3.033 -0.569 -9.381
298 HB3 GLU 39 HB3 GLU 39 -3.554 0.744 -8.332
299 HG2 GLU 39 HG2 GLU 39 -1.957 2.261 -9.588
300 HG3 GLU 39 HG3 GLU 39 -1.626 0.901 -10.687
301 H ARG 40 H ARG 40 0.671 1.262 -7.736
302 HA ARG 40 HA ARG 40 0.599 2.380 -5.207
303 HB2 ARG 40 HB2 ARG 40 2.298 2.378 -7.373
304 HB3 ARG 40 HB3 ARG 40 1.832 4.067 -7.335
305 HG2 ARG 40 HG2 ARG 40 2.650 4.181 -4.962
306 HG3 ARG 40 HG3 ARG 40 3.086 2.460 -5.050
307 HD2 ARG 40 HD2 ARG 40 4.570 2.876 -6.942
308 HD3 ARG 40 HD3 ARG 40 4.118 4.576 -6.997
309 HE ARG 40 HE ARG 40 6.022 3.285 -5.197
310 HH11 ARG 40 HH11 ARG 40 3.990 6.233 -5.549
311 HH12 ARG 40 HH12 ARG 40 5.100 7.174 -4.615
312 HH21 ARG 40 HH21 ARG 40 7.366 4.611 -3.943
313 HH22 ARG 40 HH22 ARG 40 6.966 6.301 -3.724
314 HA PRO 41 HA PRO 41 -2.757 5.378 -5.633
315 HB2 PRO 41 HB2 PRO 41 -2.586 6.640 -3.195
316 HB3 PRO 41 HB3 PRO 41 -3.153 4.970 -3.448
317 HG2 PRO 41 HG2 PRO 41 -0.387 5.874 -2.638
318 HG3 PRO 41 HG3 PRO 41 -1.440 4.653 -1.832
319 HD2 PRO 41 HD2 PRO 41 0.523 3.995 -3.647
320 HD3 PRO 41 HD3 PRO 41 -1.013 3.087 -3.574
321 H SER 42 H SER 42 -2.934 7.972 -4.746
322 HA SER 42 HA SER 42 -0.680 9.598 -5.437
323 HB2 SER 42 HB2 SER 42 -1.715 8.794 -7.718
324 HB3 SER 42 HB3 SER 42 -2.996 9.938 -7.347
325 HG SER 42 HG SER 42 -1.536 11.097 -8.447
326 H GLY 43 H GLY 43 -1.286 10.031 -3.226
327 HA2 GLY 43 HA2 GLY 43 -3.690 11.815 -2.930
328 HA3 GLY 43 HA3 GLY 43 -3.267 10.616 -1.713
Start of MODEL 12
1 H1 GLY 1 H GLY 1 11.332 -8.147 3.784
2 HA2 GLY 1 HA2 GLY 1 10.761 -8.804 1.491
3 HA3 GLY 1 HA3 GLY 1 10.575 -7.071 1.133
4 H LEU 2 H LEU 2 12.197 -6.943 -0.383
5 HA LEU 2 HA LEU 2 15.004 -7.322 0.564
6 HB2 LEU 2 HB2 LEU 2 13.944 -7.880 -2.223
7 HB3 LEU 2 HB3 LEU 2 15.623 -7.874 -1.721
8 HG LEU 2 HG LEU 2 14.723 -9.677 0.082
9 HD11 LEU 2 HD11 LEU 2 12.935 -10.127 -2.355
10 HD12 LEU 2 HD12 LEU 2 12.363 -9.657 -0.741
11 HD13 LEU 2 HD13 LEU 2 13.128 -11.229 -0.975
12 HD21 LEU 2 HD21 LEU 2 16.570 -10.029 -1.469
13 HD22 LEU 2 HD22 LEU 2 15.435 -10.290 -2.811
14 HD23 LEU 2 HD23 LEU 2 15.509 -11.444 -1.457
15 H GLU 3 H GLU 3 12.647 -5.121 -0.436
16 HA GLU 3 HA GLU 3 14.167 -3.358 -2.081
17 HB2 GLU 3 HB2 GLU 3 11.751 -2.691 -0.341
18 HB3 GLU 3 HB3 GLU 3 12.334 -1.852 -1.753
19 HG2 GLU 3 HG2 GLU 3 10.503 -3.021 -2.583
20 HG3 GLU 3 HG3 GLU 3 11.859 -4.033 -3.074
21 H HIS 4 H HIS 4 15.659 -1.838 -1.448
22 HA HIS 4 HA HIS 4 15.939 -1.235 1.479
23 HB2 HIS 4 HB2 HIS 4 18.025 -1.203 -0.723
24 HB3 HIS 4 HB3 HIS 4 18.286 -0.720 0.953
25 HD1 HIS 4 HD1 HIS 4 16.589 -3.393 2.141
26 HD2 HIS 4 HD2 HIS 4 19.851 -3.148 -0.544
27 HE1 HIS 4 HE1 HIS 4 17.885 -5.555 2.374
28 H MET 5 H MET 5 15.185 0.142 -1.606
29 HA MET 5 HA MET 5 15.580 2.930 -0.630
30 HB2 MET 5 HB2 MET 5 15.194 1.687 -3.368
31 HB3 MET 5 HB3 MET 5 14.923 3.417 -3.073
32 HG2 MET 5 HG2 MET 5 17.501 2.110 -2.248
33 HG3 MET 5 HG3 MET 5 17.250 2.669 -3.905
34 HE1 MET 5 HE1 MET 5 19.762 5.222 -2.387
35 HE2 MET 5 HE2 MET 5 19.621 3.494 -1.995
36 HE3 MET 5 HE3 MET 5 19.448 4.040 -3.676
37 H ALA 6 H ALA 6 13.896 2.640 0.910
38 HA ALA 6 HA ALA 6 11.323 1.677 0.364
39 HB1 ALA 6 HB1 ALA 6 12.159 1.815 2.620
40 HB2 ALA 6 HB2 ALA 6 12.329 3.580 2.515
41 HB3 ALA 6 HB3 ALA 6 10.719 2.836 2.493
42 H ASP 7 H ASP 7 10.447 2.532 -1.508
43 HA ASP 7 HA ASP 7 9.700 5.398 -1.481
44 HB2 ASP 7 HB2 ASP 7 9.755 5.428 -3.832
45 HB3 ASP 7 HB3 ASP 7 11.302 4.824 -3.274
46 H GLU 8 H GLU 8 8.746 2.080 -1.951
47 HA GLU 8 HA GLU 8 6.081 2.512 -2.876
48 HB2 GLU 8 HB2 GLU 8 5.754 0.096 -2.344
49 HB3 GLU 8 HB3 GLU 8 7.068 0.454 -3.443
50 HG2 GLU 8 HG2 GLU 8 7.579 0.102 -0.467
51 HG3 GLU 8 HG3 GLU 8 7.460 -1.303 -1.529
52 H GLU 9 H GLU 9 7.204 3.491 -0.050
53 HA GLU 9 HA GLU 9 4.717 2.889 1.488
54 HB2 GLU 9 HB2 GLU 9 7.578 3.296 2.428
55 HB3 GLU 9 HB3 GLU 9 6.199 3.261 3.534
56 HG2 GLU 9 HG2 GLU 9 5.631 0.986 2.885
57 HG3 GLU 9 HG3 GLU 9 6.883 0.962 1.644
58 H LYS 10 H LYS 10 5.904 5.144 -0.339
59 HA LYS 10 HA LYS 10 5.470 7.545 1.345
60 HB2 LYS 10 HB2 LYS 10 6.091 7.358 -1.620
61 HB3 LYS 10 HB3 LYS 10 6.155 8.806 -0.640
62 HG2 LYS 10 HG2 LYS 10 7.979 6.383 -0.198
63 HG3 LYS 10 HG3 LYS 10 8.355 7.764 -1.213
64 HD2 LYS 10 HD2 LYS 10 9.441 8.267 0.765
65 HD3 LYS 10 HD3 LYS 10 7.954 9.222 0.866
66 HE2 LYS 10 HE2 LYS 10 7.000 7.214 2.222
67 HE3 LYS 10 HE3 LYS 10 8.636 6.603 2.265
68 HZ1 LYS 10 HZ1 LYS 10 8.144 7.865 4.212
69 HZ2 LYS 10 HZ2 LYS 10 7.607 9.138 3.316
70 HZ3 LYS 10 HZ3 LYS 10 9.214 8.784 3.315
71 H LEU 11 H LEU 11 3.146 5.709 0.875
72 HA LEU 11 HA LEU 11 1.314 6.844 -0.875
73 HB2 LEU 11 HB2 LEU 11 0.938 5.560 1.874
74 HB3 LEU 11 HB3 LEU 11 -0.364 5.798 0.730
75 HG LEU 11 HG LEU 11 2.011 3.940 0.413
76 HD11 LEU 11 HD11 LEU 11 -0.972 3.305 0.561
77 HD12 LEU 11 HD12 LEU 11 0.077 3.356 1.983
78 HD13 LEU 11 HD13 LEU 11 0.400 2.199 0.699
79 HD21 LEU 11 HD21 LEU 11 1.235 4.936 -1.821
80 HD22 LEU 11 HD22 LEU 11 -0.357 4.214 -1.469
81 HD23 LEU 11 HD23 LEU 11 1.072 3.207 -1.684
82 HA PRO 12 HA PRO 12 0.044 10.626 1.158
83 HB2 PRO 12 HB2 PRO 12 -2.539 10.821 0.136
84 HB3 PRO 12 HB3 PRO 12 -1.074 10.981 -0.844
85 HG2 PRO 12 HG2 PRO 12 -2.814 8.569 -0.372
86 HG3 PRO 12 HG3 PRO 12 -2.301 9.222 -1.952
87 HD2 PRO 12 HD2 PRO 12 -1.053 7.176 -0.709
88 HD3 PRO 12 HD3 PRO 12 -0.136 8.386 -1.673
89 HA PRO 13 HA PRO 13 -2.346 9.661 4.786
90 HB2 PRO 13 HB2 PRO 13 -4.242 11.669 5.048
91 HB3 PRO 13 HB3 PRO 13 -2.501 11.890 5.396
92 HG2 PRO 13 HG2 PRO 13 -3.997 12.540 2.834
93 HG3 PRO 13 HG3 PRO 13 -2.848 13.584 3.730
94 HD2 PRO 13 HD2 PRO 13 -2.011 12.222 1.606
95 HD3 PRO 13 HD3 PRO 13 -0.990 12.277 3.063
96 H GLY 14 H GLY 14 -4.436 8.800 5.461
97 HA2 GLY 14 HA2 GLY 14 -6.516 7.894 5.198
98 HA3 GLY 14 HA3 GLY 14 -6.629 8.520 3.550
99 H TRP 15 H TRP 15 -3.876 7.216 2.996
100 HA TRP 15 HA TRP 15 -4.904 4.496 2.391
101 HB2 TRP 15 HB2 TRP 15 -2.626 6.115 1.220
102 HB3 TRP 15 HB3 TRP 15 -2.852 4.406 0.930
103 HD1 TRP 15 HD1 TRP 15 -4.625 7.704 0.246
104 HE1 TRP 15 HE1 TRP 15 -6.037 7.492 -1.894
105 HE3 TRP 15 HE3 TRP 15 -4.044 2.725 -0.582
106 HZ2 TRP 15 HZ2 TRP 15 -7.048 5.338 -3.554
107 HZ3 TRP 15 HZ3 TRP 15 -5.222 1.601 -2.465
108 HH2 TRP 15 HH2 TRP 15 -6.787 2.894 -3.899
109 H GLU 16 H GLU 16 -3.627 2.695 2.762
110 HA GLU 16 HA GLU 16 -1.438 2.863 4.781
111 HB2 GLU 16 HB2 GLU 16 -3.938 1.118 4.826
112 HB3 GLU 16 HB3 GLU 16 -2.505 0.762 5.783
113 HG2 GLU 16 HG2 GLU 16 -3.609 3.520 6.021
114 HG3 GLU 16 HG3 GLU 16 -4.567 2.181 6.711
115 H LYS 17 H LYS 17 0.204 1.717 4.125
116 HA LYS 17 HA LYS 17 0.096 -0.030 1.770
117 HB2 LYS 17 HB2 LYS 17 1.879 1.683 2.520
118 HB3 LYS 17 HB3 LYS 17 2.481 0.427 3.617
119 HG2 LYS 17 HG2 LYS 17 2.154 0.239 0.615
120 HG3 LYS 17 HG3 LYS 17 3.658 0.614 1.437
121 HD2 LYS 17 HD2 LYS 17 2.639 -1.908 2.434
122 HD3 LYS 17 HD3 LYS 17 2.545 -1.920 0.677
123 HE2 LYS 17 HE2 LYS 17 4.998 -1.192 2.359
124 HE3 LYS 17 HE3 LYS 17 4.731 -2.786 1.641
125 HZ1 LYS 17 HZ1 LYS 17 4.984 -1.843 -0.548
126 HZ2 LYS 17 HZ2 LYS 17 6.225 -1.376 0.396
127 HZ3 LYS 17 HZ3 LYS 17 5.027 -0.299 0.052
128 H ARG 18 H ARG 18 -0.844 -1.965 2.144
129 HA ARG 18 HA ARG 18 -0.017 -3.501 4.580
130 HB2 ARG 18 HB2 ARG 18 -2.845 -3.252 3.473
131 HB3 ARG 18 HB3 ARG 18 -2.383 -4.451 4.637
132 HG2 ARG 18 HG2 ARG 18 -1.816 -1.546 5.249
133 HG3 ARG 18 HG3 ARG 18 -3.455 -2.137 5.394
134 HD2 ARG 18 HD2 ARG 18 -1.215 -3.735 6.630
135 HD3 ARG 18 HD3 ARG 18 -1.721 -2.255 7.400
136 HE ARG 18 HE ARG 18 -3.903 -4.133 6.739
137 HH11 ARG 18 HH11 ARG 18 -1.658 -2.948 9.271
138 HH12 ARG 18 HH12 ARG 18 -2.640 -3.538 10.564
139 HH21 ARG 18 HH21 ARG 18 -5.117 -5.024 8.543
140 HH22 ARG 18 HH22 ARG 18 -4.539 -4.778 10.145
141 H MET 19 H MET 19 -0.961 -5.822 4.225
142 HA MET 19 HA MET 19 -0.082 -6.779 1.546
143 HB2 MET 19 HB2 MET 19 1.633 -6.866 3.419
144 HB3 MET 19 HB3 MET 19 0.584 -8.044 4.221
145 HG2 MET 19 HG2 MET 19 0.727 -9.442 2.147
146 HG3 MET 19 HG3 MET 19 1.912 -8.300 1.501
147 HE1 MET 19 HE1 MET 19 4.924 -8.725 4.013
148 HE2 MET 19 HE2 MET 19 4.275 -7.818 2.642
149 HE3 MET 19 HE3 MET 19 3.588 -7.588 4.268
150 H SER 20 H SER 20 -1.263 -8.431 0.695
151 HA SER 20 HA SER 20 -3.932 -8.928 1.617
152 HB2 SER 20 HB2 SER 20 -3.363 -9.063 -0.771
153 HB3 SER 20 HB3 SER 20 -2.157 -10.307 -0.442
154 HG SER 20 HG SER 20 -4.421 -10.963 -1.161
155 H ARG 21 H ARG 21 -4.275 -10.057 3.480
156 HA ARG 21 HA ARG 21 -2.322 -11.819 4.634
157 HB2 ARG 21 HB2 ARG 21 -5.287 -11.361 5.157
158 HB3 ARG 21 HB3 ARG 21 -4.315 -12.448 6.147
159 HG2 ARG 21 HG2 ARG 21 -3.666 -9.498 5.741
160 HG3 ARG 21 HG3 ARG 21 -4.629 -10.130 7.065
161 HD2 ARG 21 HD2 ARG 21 -1.747 -10.950 6.525
162 HD3 ARG 21 HD3 ARG 21 -2.247 -9.693 7.654
163 HE ARG 21 HE ARG 21 -3.638 -12.116 8.278
164 HH11 ARG 21 HH11 ARG 21 -0.326 -10.820 8.345
165 HH12 ARG 21 HH12 ARG 21 0.131 -11.718 9.746
166 HH21 ARG 21 HH21 ARG 21 -3.001 -13.388 10.057
167 HH22 ARG 21 HH22 ARG 21 -1.397 -13.255 10.716
168 H SER 22 H SER 22 -4.315 -12.431 1.923
169 HA SER 22 HA SER 22 -4.956 -15.179 2.458
170 HB2 SER 22 HB2 SER 22 -4.715 -13.577 -0.133
171 HB3 SER 22 HB3 SER 22 -5.523 -15.142 0.048
172 HG SER 22 HG SER 22 -6.962 -14.209 1.505
173 H SER 23 H SER 23 -2.466 -13.642 0.291
174 HA SER 23 HA SER 23 -0.744 -16.040 0.794
175 HB2 SER 23 HB2 SER 23 -1.019 -14.533 -1.822
176 HB3 SER 23 HB3 SER 23 -0.099 -16.023 -1.517
177 HG SER 23 HG SER 23 -2.146 -16.433 -2.451
178 H GLY 24 H GLY 24 -0.773 -12.670 1.264
179 HA2 GLY 24 HA2 GLY 24 0.994 -11.558 2.270
180 HA3 GLY 24 HA3 GLY 24 2.154 -12.714 1.621
181 H ARG 25 H ARG 25 -0.399 -11.002 -0.288
182 HA ARG 25 HA ARG 25 1.764 -10.018 -2.044
183 HB2 ARG 25 HB2 ARG 25 -1.085 -10.839 -2.344
184 HB3 ARG 25 HB3 ARG 25 -0.686 -9.385 -3.227
185 HG2 ARG 25 HG2 ARG 25 0.993 -11.934 -3.353
186 HG3 ARG 25 HG3 ARG 25 -0.337 -11.597 -4.468
187 HD2 ARG 25 HD2 ARG 25 0.746 -9.603 -5.308
188 HD3 ARG 25 HD3 ARG 25 2.039 -9.719 -4.104
189 HE ARG 25 HE ARG 25 2.082 -12.140 -5.517
190 HH11 ARG 25 HH11 ARG 25 2.597 -8.673 -6.218
191 HH12 ARG 25 HH12 ARG 25 3.562 -9.017 -7.632
192 HH21 ARG 25 HH21 ARG 25 3.519 -12.535 -7.092
193 HH22 ARG 25 HH22 ARG 25 4.064 -11.302 -8.206
194 H VAL 26 H VAL 26 2.546 -8.004 -1.752
195 HA VAL 26 HA VAL 26 1.358 -6.156 0.068
196 HB VAL 26 HB VAL 26 3.516 -5.633 -2.020
197 HG11 VAL 26 HG11 VAL 26 2.846 -4.353 0.673
198 HG12 VAL 26 HG12 VAL 26 4.316 -4.026 -0.276
199 HG13 VAL 26 HG13 VAL 26 2.740 -3.593 -0.939
200 HG21 VAL 26 HG21 VAL 26 3.731 -6.842 0.767
201 HG22 VAL 26 HG22 VAL 26 4.252 -7.565 -0.779
202 HG23 VAL 26 HG23 VAL 26 5.109 -6.172 -0.135
203 H TYR 27 H TYR 27 0.114 -4.319 -0.233
204 HA TYR 27 HA TYR 27 -0.299 -3.170 -2.836
205 HB2 TYR 27 HB2 TYR 27 -2.600 -3.546 -3.147
206 HB3 TYR 27 HB3 TYR 27 -1.870 -5.115 -2.933
207 HD1 TYR 27 HD1 TYR 27 -1.911 -6.043 -0.417
208 HD2 TYR 27 HD2 TYR 27 -4.617 -3.093 -2.018
209 HE1 TYR 27 HE1 TYR 27 -3.541 -6.630 1.308
210 HE2 TYR 27 HE2 TYR 27 -6.253 -3.639 -0.222
211 HH TYR 27 HH TYR 27 -5.583 -5.876 2.406
212 H TYR 28 H TYR 28 -2.422 -1.494 -2.374
213 HA TYR 28 HA TYR 28 -1.708 -0.035 0.103
214 HB2 TYR 28 HB2 TYR 28 -2.662 1.186 -2.502
215 HB3 TYR 28 HB3 TYR 28 -1.926 1.983 -1.129
216 HD1 TYR 28 HD2 TYR 28 0.437 0.495 -0.520
217 HD2 TYR 28 HD1 TYR 28 -1.235 1.312 -4.385
218 HE1 TYR 28 HE2 TYR 28 2.739 0.598 -1.487
219 HE2 TYR 28 HE1 TYR 28 1.055 1.312 -5.378
220 HH TYR 28 HH TYR 28 3.664 0.385 -4.525
221 H PHE 29 H PHE 29 -3.463 0.649 1.350
222 HA PHE 29 HA PHE 29 -6.214 0.114 0.328
223 HB2 PHE 29 HB2 PHE 29 -5.804 -1.830 1.601
224 HB3 PHE 29 HB3 PHE 29 -4.884 -0.945 2.804
225 HD1 PHE 29 HD2 PHE 29 -8.416 -0.002 1.679
226 HD2 PHE 29 HD1 PHE 29 -5.897 -1.719 4.763
227 HE1 PHE 29 HE2 PHE 29 -10.280 0.041 3.228
228 HE2 PHE 29 HE1 PHE 29 -7.821 -1.679 6.308
229 HZ PHE 29 HZ PHE 29 -10.024 -0.785 5.550
230 H ASN 30 H ASN 30 -7.459 1.808 0.425
231 HA ASN 30 HA ASN 30 -6.788 4.006 2.254
232 HB2 ASN 30 HB2 ASN 30 -7.456 4.270 -0.260
233 HB3 ASN 30 HB3 ASN 30 -9.046 4.044 0.274
234 HD21 ASN 30 HD21 ASN 30 -6.936 6.651 -0.029
235 HD22 ASN 30 HD22 ASN 30 -7.772 7.711 1.097
236 H HIS 31 H HIS 31 -7.425 3.468 4.246
237 HA HIS 31 HA HIS 31 -9.936 2.080 4.764
238 HB2 HIS 31 HB2 HIS 31 -9.280 2.255 7.107
239 HB3 HIS 31 HB3 HIS 31 -7.984 1.606 6.119
240 HD1 HIS 31 HD1 HIS 31 -8.535 4.187 8.712
241 HD2 HIS 31 HD2 HIS 31 -6.005 3.611 5.386
242 HE1 HIS 31 HE1 HIS 31 -6.529 5.712 9.024
243 H ILE 32 H ILE 32 -9.120 5.382 4.237
244 HA ILE 32 HA ILE 32 -11.136 6.576 5.970
245 HB ILE 32 HB ILE 32 -8.915 7.392 4.152
246 HG12 ILE 32 HG12 ILE 32 -8.512 9.064 5.837
247 HG13 ILE 32 HG13 ILE 32 -10.054 8.711 6.634
248 HG21 ILE 32 HG21 ILE 32 -10.574 8.619 2.910
249 HG22 ILE 32 HG22 ILE 32 -11.251 9.305 4.417
250 HG23 ILE 32 HG23 ILE 32 -9.615 9.727 3.883
251 HD11 ILE 32 HD11 ILE 32 -7.979 7.731 7.706
252 HD12 ILE 32 HD12 ILE 32 -9.260 6.555 7.359
253 HD13 ILE 32 HD13 ILE 32 -7.837 6.662 6.296
254 H THR 33 H THR 33 -10.877 5.587 2.600
255 HA THR 33 HA THR 33 -13.693 6.451 2.138
256 HB THR 33 HB THR 33 -11.681 7.680 1.096
257 HG1 THR 33 HG1 THR 33 -12.776 7.644 -1.039
258 HG21 THR 33 HG21 THR 33 -10.714 5.367 0.424
259 HG22 THR 33 HG22 THR 33 -10.479 6.780 -0.614
260 HG23 THR 33 HG23 THR 33 -11.733 5.563 -1.016
261 H ASN 34 H ASN 34 -11.788 3.713 2.546
262 HA ASN 34 HA ASN 34 -12.131 1.523 2.271
263 HB2 ASN 34 HB2 ASN 34 -14.428 2.259 3.005
264 HB3 ASN 34 HB3 ASN 34 -14.941 2.176 1.317
265 HD21 ASN 34 HD21 ASN 34 -16.019 0.214 0.845
266 HD22 ASN 34 HD22 ASN 34 -15.549 -1.289 1.617
267 H ALA 35 H ALA 35 -10.712 2.726 0.347
268 HA ALA 35 HA ALA 35 -11.428 1.236 -2.153
269 HB1 ALA 35 HB1 ALA 35 -11.852 3.664 -2.434
270 HB2 ALA 35 HB2 ALA 35 -10.159 4.002 -1.972
271 HB3 ALA 35 HB3 ALA 35 -10.498 3.098 -3.449
272 H SER 36 H SER 36 -9.890 -0.238 -2.471
273 HA SER 36 HA SER 36 -7.051 0.364 -1.822
274 HB2 SER 36 HB2 SER 36 -6.695 -1.668 -0.744
275 HB3 SER 36 HB3 SER 36 -8.159 -1.038 -0.034
276 HG SER 36 HG SER 36 -9.334 -2.503 -1.363
277 H GLN 37 H GLN 37 -5.480 -0.403 -3.166
278 HA GLN 37 HA GLN 37 -5.784 -2.518 -4.997
279 HB2 GLN 37 HB2 GLN 37 -5.518 -1.072 -7.031
280 HB3 GLN 37 HB3 GLN 37 -7.124 -1.212 -6.332
281 HG2 GLN 37 HG2 GLN 37 -6.882 1.064 -5.349
282 HG3 GLN 37 HG3 GLN 37 -5.297 1.209 -6.125
283 HE21 GLN 37 HE21 GLN 37 -7.474 3.081 -6.755
284 HE22 GLN 37 HE22 GLN 37 -7.862 2.755 -8.408
285 H TRP 38 H TRP 38 -3.842 -2.603 -6.443
286 HA TRP 38 HA TRP 38 -1.402 -1.987 -4.956
287 HB2 TRP 38 HB2 TRP 38 -0.498 -3.082 -7.171
288 HB3 TRP 38 HB3 TRP 38 -1.359 -4.066 -5.997
289 HD1 TRP 38 HD1 TRP 38 -2.346 -2.049 -9.201
290 HE1 TRP 38 HE1 TRP 38 -4.127 -3.364 -10.470
291 HE3 TRP 38 HE3 TRP 38 -2.906 -5.971 -5.956
292 HZ2 TRP 38 HZ2 TRP 38 -5.320 -6.004 -10.316
293 HZ3 TRP 38 HZ3 TRP 38 -4.321 -7.908 -6.584
294 HH2 TRP 38 HH2 TRP 38 -5.466 -7.963 -8.781
295 H GLU 39 H GLU 39 -3.370 -0.425 -7.277
296 HA GLU 39 HA GLU 39 -1.431 0.998 -8.833
297 HB2 GLU 39 HB2 GLU 39 -3.785 0.448 -9.466
298 HB3 GLU 39 HB3 GLU 39 -4.363 1.529 -8.197
299 HG2 GLU 39 HG2 GLU 39 -3.249 3.436 -9.350
300 HG3 GLU 39 HG3 GLU 39 -2.730 2.325 -10.626
301 H ARG 40 H ARG 40 -0.016 2.352 -7.806
302 HA ARG 40 HA ARG 40 -0.180 3.327 -5.270
303 HB2 ARG 40 HB2 ARG 40 1.699 3.060 -6.904
304 HB3 ARG 40 HB3 ARG 40 1.273 4.632 -7.566
305 HG2 ARG 40 HG2 ARG 40 1.883 5.690 -5.450
306 HG3 ARG 40 HG3 ARG 40 2.005 4.098 -4.646
307 HD2 ARG 40 HD2 ARG 40 4.268 4.657 -5.248
308 HD3 ARG 40 HD3 ARG 40 3.716 3.459 -6.402
309 HE ARG 40 HE ARG 40 3.444 5.151 -8.069
310 HH11 ARG 40 HH11 ARG 40 5.042 6.435 -5.169
311 HH12 ARG 40 HH12 ARG 40 5.291 8.001 -5.870
312 HH21 ARG 40 HH21 ARG 40 3.748 7.140 -8.959
313 HH22 ARG 40 HH22 ARG 40 4.540 8.421 -8.112
314 HA PRO 41 HA PRO 41 -3.314 6.542 -5.760
315 HB2 PRO 41 HB2 PRO 41 -3.265 7.546 -3.200
316 HB3 PRO 41 HB3 PRO 41 -3.955 5.972 -3.651
317 HG2 PRO 41 HG2 PRO 41 -1.100 6.455 -2.651
318 HG3 PRO 41 HG3 PRO 41 -2.345 5.407 -1.919
319 HD2 PRO 41 HD2 PRO 41 -0.512 4.493 -3.652
320 HD3 PRO 41 HD3 PRO 41 -2.209 3.914 -3.820
321 H SER 42 H SER 42 -3.468 8.976 -5.032
322 HA SER 42 HA SER 42 -0.908 10.401 -5.149
323 HB2 SER 42 HB2 SER 42 -1.874 11.717 -7.154
324 HB3 SER 42 HB3 SER 42 -1.149 10.137 -7.444
325 HG SER 42 HG SER 42 -3.918 10.742 -7.318
326 H GLY 43 H GLY 43 -1.727 10.836 -2.970
327 HA2 GLY 43 HA2 GLY 43 -3.858 12.962 -2.913
328 HA3 GLY 43 HA3 GLY 43 -3.537 11.859 -1.568
Start of MODEL 13
1 H1 GLY 1 H GLY 1 9.630 -10.514 -1.915
2 HA2 GLY 1 HA2 GLY 1 9.747 -11.855 0.728
3 HA3 GLY 1 HA3 GLY 1 11.160 -11.555 -0.312
4 H LEU 2 H LEU 2 12.168 -10.228 1.339
5 HA LEU 2 HA LEU 2 10.712 -7.762 2.080
6 HB2 LEU 2 HB2 LEU 2 13.384 -8.836 3.046
7 HB3 LEU 2 HB3 LEU 2 12.538 -7.424 3.672
8 HG LEU 2 HG LEU 2 11.514 -10.301 3.814
9 HD11 LEU 2 HD11 LEU 2 11.933 -9.996 6.266
10 HD12 LEU 2 HD12 LEU 2 12.725 -8.447 5.885
11 HD13 LEU 2 HD13 LEU 2 13.377 -9.977 5.257
12 HD21 LEU 2 HD21 LEU 2 9.760 -9.415 5.300
13 HD22 LEU 2 HD22 LEU 2 9.610 -8.753 3.683
14 HD23 LEU 2 HD23 LEU 2 10.314 -7.756 4.975
15 H GLU 3 H GLU 3 11.774 -5.739 1.933
16 HA GLU 3 HA GLU 3 13.738 -5.422 -0.292
17 HB2 GLU 3 HB2 GLU 3 11.214 -3.883 0.314
18 HB3 GLU 3 HB3 GLU 3 12.370 -3.408 -0.932
19 HG2 GLU 3 HG2 GLU 3 11.884 -5.360 -2.265
20 HG3 GLU 3 HG3 GLU 3 10.894 -6.076 -0.993
21 H HIS 4 H HIS 4 14.409 -2.922 -0.208
22 HA HIS 4 HA HIS 4 14.861 -2.139 2.644
23 HB2 HIS 4 HB2 HIS 4 16.920 -2.589 0.460
24 HB3 HIS 4 HB3 HIS 4 17.179 -1.425 1.752
25 HD1 HIS 4 HD1 HIS 4 16.278 -5.275 1.786
26 HD2 HIS 4 HD2 HIS 4 18.574 -2.244 3.646
27 HE1 HIS 4 HE1 HIS 4 17.661 -6.407 3.556
28 H MET 5 H MET 5 14.513 -1.055 -0.770
29 HA MET 5 HA MET 5 14.673 1.771 0.177
30 HB2 MET 5 HB2 MET 5 14.930 0.570 -2.586
31 HB3 MET 5 HB3 MET 5 14.981 2.296 -2.216
32 HG2 MET 5 HG2 MET 5 17.005 1.992 -0.923
33 HG3 MET 5 HG3 MET 5 16.914 0.237 -1.058
34 HE1 MET 5 HE1 MET 5 16.299 -0.406 -4.070
35 HE2 MET 5 HE2 MET 5 17.927 -0.450 -4.767
36 HE3 MET 5 HE3 MET 5 17.622 -1.172 -3.171
37 H ALA 6 H ALA 6 12.692 2.165 0.968
38 HA ALA 6 HA ALA 6 10.278 1.119 -0.320
39 HB1 ALA 6 HB1 ALA 6 10.507 1.117 2.138
40 HB2 ALA 6 HB2 ALA 6 10.603 2.893 2.121
41 HB3 ALA 6 HB3 ALA 6 9.119 2.068 1.586
42 H ASP 7 H ASP 7 10.385 2.130 -2.339
43 HA ASP 7 HA ASP 7 10.449 5.078 -2.561
44 HB2 ASP 7 HB2 ASP 7 11.559 3.723 -4.274
45 HB3 ASP 7 HB3 ASP 7 10.049 2.864 -4.607
46 H GLU 8 H GLU 8 8.266 2.398 -2.511
47 HA GLU 8 HA GLU 8 5.884 3.716 -3.463
48 HB2 GLU 8 HB2 GLU 8 4.882 1.620 -2.995
49 HB3 GLU 8 HB3 GLU 8 6.412 1.288 -3.743
50 HG2 GLU 8 HG2 GLU 8 5.898 1.143 -0.737
51 HG3 GLU 8 HG3 GLU 8 5.728 -0.211 -1.830
52 H GLU 9 H GLU 9 7.510 4.011 -0.500
53 HA GLU 9 HA GLU 9 5.204 4.014 1.219
54 HB2 GLU 9 HB2 GLU 9 8.040 3.993 1.527
55 HB3 GLU 9 HB3 GLU 9 7.499 5.450 2.337
56 HG2 GLU 9 HG2 GLU 9 6.355 2.657 2.808
57 HG3 GLU 9 HG3 GLU 9 7.583 3.430 3.818
58 H LYS 10 H LYS 10 5.889 6.079 -1.041
59 HA LYS 10 HA LYS 10 5.421 8.646 0.274
60 HB2 LYS 10 HB2 LYS 10 5.331 7.876 -2.653
61 HB3 LYS 10 HB3 LYS 10 5.272 9.533 -2.034
62 HG2 LYS 10 HG2 LYS 10 7.495 9.125 -0.890
63 HG3 LYS 10 HG3 LYS 10 7.613 7.619 -1.800
64 HD2 LYS 10 HD2 LYS 10 7.362 10.434 -2.926
65 HD3 LYS 10 HD3 LYS 10 8.835 9.460 -2.917
66 HE2 LYS 10 HE2 LYS 10 6.276 8.456 -4.220
67 HE3 LYS 10 HE3 LYS 10 7.371 9.543 -5.108
68 HZ1 LYS 10 HZ1 LYS 10 9.106 7.918 -4.906
69 HZ2 LYS 10 HZ2 LYS 10 7.760 7.157 -5.466
70 HZ3 LYS 10 HZ3 LYS 10 8.187 6.970 -3.912
71 H LEU 11 H LEU 11 3.233 6.328 0.189
72 HA LEU 11 HA LEU 11 0.973 7.203 -1.145
73 HB2 LEU 11 HB2 LEU 11 0.930 6.023 1.638
74 HB3 LEU 11 HB3 LEU 11 -0.375 6.020 0.474
75 HG LEU 11 HG LEU 11 2.169 4.408 0.393
76 HD11 LEU 11 HD11 LEU 11 -0.759 3.528 0.237
77 HD12 LEU 11 HD12 LEU 11 0.118 3.730 1.772
78 HD13 LEU 11 HD13 LEU 11 0.664 2.549 0.587
79 HD21 LEU 11 HD21 LEU 11 0.025 4.313 -1.767
80 HD22 LEU 11 HD22 LEU 11 1.616 3.539 -1.736
81 HD23 LEU 11 HD23 LEU 11 1.525 5.261 -1.967
82 HA PRO 12 HA PRO 12 -0.376 10.978 0.754
83 HB2 PRO 12 HB2 PRO 12 -3.049 10.935 -0.029
84 HB3 PRO 12 HB3 PRO 12 -1.682 11.186 -1.172
85 HG2 PRO 12 HG2 PRO 12 -3.167 8.679 -0.391
86 HG3 PRO 12 HG3 PRO 12 -2.833 9.265 -2.063
87 HD2 PRO 12 HD2 PRO 12 -1.350 7.398 -0.809
88 HD3 PRO 12 HD3 PRO 12 -0.593 8.603 -1.911
89 HA PRO 13 HA PRO 13 -2.047 10.079 4.723
90 HB2 PRO 13 HB2 PRO 13 -3.649 12.296 5.267
91 HB3 PRO 13 HB3 PRO 13 -1.865 12.251 5.358
92 HG2 PRO 13 HG2 PRO 13 -3.577 13.195 3.052
93 HG3 PRO 13 HG3 PRO 13 -2.167 14.025 3.799
94 HD2 PRO 13 HD2 PRO 13 -1.852 12.583 1.551
95 HD3 PRO 13 HD3 PRO 13 -0.646 12.450 2.847
96 H GLY 14 H GLY 14 -3.504 8.590 5.190
97 HA2 GLY 14 HA2 GLY 14 -5.821 8.011 5.576
98 HA3 GLY 14 HA3 GLY 14 -6.210 8.565 3.939
99 H TRP 15 H TRP 15 -3.287 7.265 3.299
100 HA TRP 15 HA TRP 15 -4.367 4.526 2.886
101 HB2 TRP 15 HB2 TRP 15 -2.333 6.151 1.370
102 HB3 TRP 15 HB3 TRP 15 -2.568 4.425 1.141
103 HD1 TRP 15 HD1 TRP 15 -4.570 7.686 0.788
104 HE1 TRP 15 HE1 TRP 15 -6.284 7.426 -1.049
105 HE3 TRP 15 HE3 TRP 15 -3.867 2.740 -0.232
106 HZ2 TRP 15 HZ2 TRP 15 -7.420 5.241 -2.652
107 HZ3 TRP 15 HZ3 TRP 15 -5.322 1.572 -1.850
108 HH2 TRP 15 HH2 TRP 15 -7.142 2.806 -3.034
109 H GLU 16 H GLU 16 -2.905 2.819 2.980
110 HA GLU 16 HA GLU 16 -0.505 3.061 4.714
111 HB2 GLU 16 HB2 GLU 16 -3.123 1.880 5.401
112 HB3 GLU 16 HB3 GLU 16 -1.858 0.683 5.484
113 HG2 GLU 16 HG2 GLU 16 -1.443 3.367 6.808
114 HG3 GLU 16 HG3 GLU 16 -2.451 2.133 7.578
115 H LYS 17 H LYS 17 1.127 1.960 3.795
116 HA LYS 17 HA LYS 17 0.679 0.258 1.458
117 HB2 LYS 17 HB2 LYS 17 2.491 2.066 1.911
118 HB3 LYS 17 HB3 LYS 17 3.307 0.856 2.894
119 HG2 LYS 17 HG2 LYS 17 2.551 0.601 -0.041
120 HG3 LYS 17 HG3 LYS 17 4.112 1.111 0.530
121 HD2 LYS 17 HD2 LYS 17 2.873 -1.644 0.969
122 HD3 LYS 17 HD3 LYS 17 4.071 -1.207 -0.260
123 HE2 LYS 17 HE2 LYS 17 5.532 -0.289 1.603
124 HE3 LYS 17 HE3 LYS 17 4.454 -1.063 2.769
125 HZ1 LYS 17 HZ1 LYS 17 6.420 -2.321 2.284
126 HZ2 LYS 17 HZ2 LYS 17 6.058 -2.475 0.699
127 HZ3 LYS 17 HZ3 LYS 17 5.135 -3.210 1.862
128 H ARG 18 H ARG 18 0.000 -1.762 1.836
129 HA ARG 18 HA ARG 18 1.148 -3.257 4.160
130 HB2 ARG 18 HB2 ARG 18 -1.719 -3.324 3.132
131 HB3 ARG 18 HB3 ARG 18 -1.050 -4.319 4.421
132 HG2 ARG 18 HG2 ARG 18 -0.395 -1.965 5.498
133 HG3 ARG 18 HG3 ARG 18 -1.690 -1.375 4.447
134 HD2 ARG 18 HD2 ARG 18 -3.284 -2.911 5.410
135 HD3 ARG 18 HD3 ARG 18 -2.045 -3.762 6.308
136 HE ARG 18 HE ARG 18 -3.266 -1.169 7.015
137 HH11 ARG 18 HH11 ARG 18 -0.464 -3.239 7.716
138 HH12 ARG 18 HH12 ARG 18 -0.672 -3.178 9.426
139 HH21 ARG 18 HH21 ARG 18 -3.352 -0.813 9.210
140 HH22 ARG 18 HH22 ARG 18 -2.240 -1.570 10.308
141 H MET 19 H MET 19 0.339 -5.682 3.866
142 HA MET 19 HA MET 19 0.965 -6.607 1.140
143 HB2 MET 19 HB2 MET 19 2.940 -6.561 2.721
144 HB3 MET 19 HB3 MET 19 2.104 -7.784 3.705
145 HG2 MET 19 HG2 MET 19 1.962 -9.200 1.618
146 HG3 MET 19 HG3 MET 19 2.960 -7.995 0.792
147 HE1 MET 19 HE1 MET 19 5.454 -7.397 1.574
148 HE2 MET 19 HE2 MET 19 4.931 -7.199 3.260
149 HE3 MET 19 HE3 MET 19 6.320 -8.241 2.868
150 H SER 20 H SER 20 -0.221 -8.382 0.534
151 HA SER 20 HA SER 20 -2.707 -8.810 1.908
152 HB2 SER 20 HB2 SER 20 -2.284 -8.846 -0.600
153 HB3 SER 20 HB3 SER 20 -1.524 -10.432 -0.377
154 HG SER 20 HG SER 20 -4.130 -9.687 -0.390
155 H ARG 21 H ARG 21 -2.998 -10.176 3.607
156 HA ARG 21 HA ARG 21 -0.900 -11.891 4.562
157 HB2 ARG 21 HB2 ARG 21 -2.473 -12.759 6.148
158 HB3 ARG 21 HB3 ARG 21 -2.562 -11.011 6.086
159 HG2 ARG 21 HG2 ARG 21 -4.603 -12.811 4.694
160 HG3 ARG 21 HG3 ARG 21 -4.720 -12.288 6.373
161 HD2 ARG 21 HD2 ARG 21 -4.382 -9.884 5.417
162 HD3 ARG 21 HD3 ARG 21 -4.904 -10.593 3.876
163 HE ARG 21 HE ARG 21 -6.870 -11.447 5.461
164 HH11 ARG 21 HH11 ARG 21 -5.497 -8.189 5.054
165 HH12 ARG 21 HH12 ARG 21 -6.884 -7.380 5.734
166 HH21 ARG 21 HH21 ARG 21 -8.604 -10.447 6.397
167 HH22 ARG 21 HH22 ARG 21 -8.778 -8.716 6.449
168 H SER 22 H SER 22 -3.242 -12.456 2.056
169 HA SER 22 HA SER 22 -3.387 -15.292 2.329
170 HB2 SER 22 HB2 SER 22 -5.046 -13.799 1.195
171 HB3 SER 22 HB3 SER 22 -3.877 -13.518 -0.107
172 HG SER 22 HG SER 22 -4.969 -16.008 0.723
173 H SER 23 H SER 23 -1.566 -13.312 -0.123
174 HA SER 23 HA SER 23 0.234 -15.666 -0.495
175 HB2 SER 23 HB2 SER 23 -0.049 -13.542 -2.572
176 HB3 SER 23 HB3 SER 23 0.227 -15.274 -2.758
177 HG SER 23 HG SER 23 -1.973 -15.632 -2.414
178 H GLY 24 H GLY 24 0.357 -12.630 0.976
179 HA2 GLY 24 HA2 GLY 24 2.143 -11.412 1.722
180 HA3 GLY 24 HA3 GLY 24 3.229 -12.643 1.091
181 H ARG 25 H ARG 25 0.738 -10.699 -0.571
182 HA ARG 25 HA ARG 25 2.792 -9.705 -2.468
183 HB2 ARG 25 HB2 ARG 25 0.098 -10.860 -2.744
184 HB3 ARG 25 HB3 ARG 25 0.141 -9.275 -3.456
185 HG2 ARG 25 HG2 ARG 25 2.097 -11.545 -4.034
186 HG3 ARG 25 HG3 ARG 25 0.718 -11.127 -5.051
187 HD2 ARG 25 HD2 ARG 25 3.151 -9.346 -4.527
188 HD3 ARG 25 HD3 ARG 25 2.813 -10.281 -5.984
189 HE ARG 25 HE ARG 25 0.763 -8.306 -5.148
190 HH11 ARG 25 HH11 ARG 25 3.616 -8.650 -7.236
191 HH12 ARG 25 HH12 ARG 25 2.803 -7.931 -8.614
192 HH21 ARG 25 HH21 ARG 25 -0.042 -7.058 -6.714
193 HH22 ARG 25 HH22 ARG 25 0.737 -6.903 -8.278
194 H VAL 26 H VAL 26 3.308 -7.558 -2.401
195 HA VAL 26 HA VAL 26 2.070 -5.908 -0.416
196 HB VAL 26 HB VAL 26 4.037 -5.285 -2.648
197 HG11 VAL 26 HG11 VAL 26 3.315 -3.742 -0.109
198 HG12 VAL 26 HG12 VAL 26 4.640 -3.349 -1.214
199 HG13 VAL 26 HG13 VAL 26 2.986 -3.202 -1.781
200 HG21 VAL 26 HG21 VAL 26 4.460 -5.856 0.325
201 HG22 VAL 26 HG22 VAL 26 4.883 -6.977 -0.983
202 HG23 VAL 26 HG23 VAL 26 5.722 -5.434 -0.849
203 H TYR 27 H TYR 27 0.762 -4.082 -0.630
204 HA TYR 27 HA TYR 27 -0.213 -3.094 -3.108
205 HB2 TYR 27 HB2 TYR 27 -2.500 -3.657 -3.024
206 HB3 TYR 27 HB3 TYR 27 -1.647 -5.167 -2.943
207 HD1 TYR 27 HD1 TYR 27 -1.129 -6.005 -0.416
208 HD2 TYR 27 HD2 TYR 27 -4.299 -3.323 -1.552
209 HE1 TYR 27 HE1 TYR 27 -2.365 -6.570 1.631
210 HE2 TYR 27 HE2 TYR 27 -5.551 -3.909 0.500
211 HH TYR 27 HH TYR 27 -5.676 -5.472 2.319
212 H TYR 28 H TYR 28 -2.038 -1.426 -2.556
213 HA TYR 28 HA TYR 28 -1.241 -0.001 -0.056
214 HB2 TYR 28 HB2 TYR 28 -2.656 1.082 -2.492
215 HB3 TYR 28 HB3 TYR 28 -1.852 1.996 -1.228
216 HD1 TYR 28 HD2 TYR 28 0.727 1.098 -0.898
217 HD2 TYR 28 HD1 TYR 28 -1.504 1.038 -4.548
218 HE1 TYR 28 HE2 TYR 28 2.861 1.245 -2.158
219 HE2 TYR 28 HE1 TYR 28 0.607 1.079 -5.838
220 HH TYR 28 HH TYR 28 2.854 1.294 -5.794
221 H PHE 29 H PHE 29 -2.860 0.629 1.441
222 HA PHE 29 HA PHE 29 -5.681 -0.065 0.772
223 HB2 PHE 29 HB2 PHE 29 -5.045 -1.984 1.971
224 HB3 PHE 29 HB3 PHE 29 -3.998 -1.071 3.044
225 HD1 PHE 29 HD2 PHE 29 -7.733 -0.718 2.212
226 HD2 PHE 29 HD1 PHE 29 -4.672 -1.157 5.230
227 HE1 PHE 29 HE2 PHE 29 -9.435 -0.593 3.983
228 HE2 PHE 29 HE1 PHE 29 -6.406 -1.097 6.980
229 HZ PHE 29 HZ PHE 29 -8.798 -0.820 6.364
230 H ASN 30 H ASN 30 -7.002 1.472 1.186
231 HA ASN 30 HA ASN 30 -6.235 3.799 2.808
232 HB2 ASN 30 HB2 ASN 30 -7.217 3.935 0.429
233 HB3 ASN 30 HB3 ASN 30 -8.723 3.542 1.113
234 HD21 ASN 30 HD21 ASN 30 -6.957 6.341 0.573
235 HD22 ASN 30 HD22 ASN 30 -7.861 7.347 1.684
236 H HIS 31 H HIS 31 -6.587 3.489 4.825
237 HA HIS 31 HA HIS 31 -8.695 1.789 5.885
238 HB2 HIS 31 HB2 HIS 31 -7.634 2.386 8.066
239 HB3 HIS 31 HB3 HIS 31 -6.561 1.638 6.898
240 HD1 HIS 31 HD1 HIS 31 -6.790 4.603 9.103
241 HD2 HIS 31 HD2 HIS 31 -4.758 3.436 5.599
242 HE1 HIS 31 HE1 HIS 31 -5.003 6.342 8.674
243 H ILE 32 H ILE 32 -8.674 5.056 4.856
244 HA ILE 32 HA ILE 32 -10.627 5.988 6.849
245 HB ILE 32 HB ILE 32 -8.833 7.173 4.748
246 HG12 ILE 32 HG12 ILE 32 -8.491 8.906 6.409
247 HG13 ILE 32 HG13 ILE 32 -9.749 8.225 7.449
248 HG21 ILE 32 HG21 ILE 32 -11.397 8.602 5.519
249 HG22 ILE 32 HG22 ILE 32 -10.006 9.334 4.696
250 HG23 ILE 32 HG23 ILE 32 -10.920 8.070 3.885
251 HD11 ILE 32 HD11 ILE 32 -7.390 7.668 8.135
252 HD12 ILE 32 HD12 ILE 32 -8.402 6.245 7.863
253 HD13 ILE 32 HD13 ILE 32 -7.216 6.744 6.626
254 H THR 33 H THR 33 -10.506 4.927 3.448
255 HA THR 33 HA THR 33 -13.492 5.127 3.377
256 HB THR 33 HB THR 33 -12.233 6.886 2.117
257 HG1 THR 33 HG1 THR 33 -13.697 6.842 0.472
258 HG21 THR 33 HG21 THR 33 -11.727 4.699 0.094
259 HG22 THR 33 HG22 THR 33 -10.503 5.327 1.204
260 HG23 THR 33 HG23 THR 33 -11.235 6.409 0.007
261 H ASN 34 H ASN 34 -11.128 2.877 3.629
262 HA ASN 34 HA ASN 34 -11.017 0.681 3.267
263 HB2 ASN 34 HB2 ASN 34 -13.334 1.012 4.190
264 HB3 ASN 34 HB3 ASN 34 -13.955 0.706 2.576
265 HD21 ASN 34 HD21 ASN 34 -14.394 -1.391 2.067
266 HD22 ASN 34 HD22 ASN 34 -13.816 -2.793 2.950
267 H ALA 35 H ALA 35 -10.249 2.275 1.148
268 HA ALA 35 HA ALA 35 -10.973 0.671 -1.277
269 HB1 ALA 35 HB1 ALA 35 -9.798 3.463 -0.981
270 HB2 ALA 35 HB2 ALA 35 -10.142 2.626 -2.520
271 HB3 ALA 35 HB3 ALA 35 -11.469 3.060 -1.415
272 H SER 36 H SER 36 -9.403 -0.651 -1.877
273 HA SER 36 HA SER 36 -6.552 -0.072 -1.306
274 HB2 SER 36 HB2 SER 36 -6.164 -2.403 -0.733
275 HB3 SER 36 HB3 SER 36 -7.236 -1.632 0.433
276 HG SER 36 HG SER 36 -8.952 -2.681 -0.406
277 H GLN 37 H GLN 37 -5.053 -0.705 -2.883
278 HA GLN 37 HA GLN 37 -5.734 -2.633 -4.859
279 HB2 GLN 37 HB2 GLN 37 -5.589 -0.946 -6.769
280 HB3 GLN 37 HB3 GLN 37 -7.103 -1.074 -5.883
281 HG2 GLN 37 HG2 GLN 37 -6.691 0.986 -4.678
282 HG3 GLN 37 HG3 GLN 37 -5.063 1.082 -5.354
283 HE21 GLN 37 HE21 GLN 37 -5.064 2.762 -6.885
284 HE22 GLN 37 HE22 GLN 37 -6.277 2.914 -8.132
285 H TRP 38 H TRP 38 -3.985 -2.905 -6.408
286 HA TRP 38 HA TRP 38 -1.348 -2.456 -5.240
287 HB2 TRP 38 HB2 TRP 38 -0.783 -3.312 -7.636
288 HB3 TRP 38 HB3 TRP 38 -1.403 -4.444 -6.432
289 HD1 TRP 38 HD1 TRP 38 -3.144 -2.172 -9.123
290 HE1 TRP 38 HE1 TRP 38 -5.174 -3.287 -9.960
291 HE3 TRP 38 HE3 TRP 38 -2.374 -6.748 -6.969
292 HZ2 TRP 38 HZ2 TRP 38 -6.308 -6.015 -9.923
293 HZ3 TRP 38 HZ3 TRP 38 -3.966 -8.608 -7.412
294 HH2 TRP 38 HH2 TRP 38 -5.919 -8.257 -8.885
295 H GLU 39 H GLU 39 -3.485 -0.788 -7.341
296 HA GLU 39 HA GLU 39 -1.587 0.719 -8.931
297 HB2 GLU 39 HB2 GLU 39 -3.725 0.018 -9.784
298 HB3 GLU 39 HB3 GLU 39 -4.582 0.716 -8.433
299 HG2 GLU 39 HG2 GLU 39 -3.843 3.009 -9.223
300 HG3 GLU 39 HG3 GLU 39 -3.125 2.213 -10.647
301 H ARG 40 H ARG 40 -0.402 2.233 -7.912
302 HA ARG 40 HA ARG 40 -0.614 3.235 -5.418
303 HB2 ARG 40 HB2 ARG 40 1.134 3.461 -7.340
304 HB3 ARG 40 HB3 ARG 40 0.323 4.974 -7.716
305 HG2 ARG 40 HG2 ARG 40 0.939 5.923 -5.597
306 HG3 ARG 40 HG3 ARG 40 1.290 4.316 -4.906
307 HD2 ARG 40 HD2 ARG 40 3.392 5.288 -5.339
308 HD3 ARG 40 HD3 ARG 40 3.082 4.001 -6.529
309 HE ARG 40 HE ARG 40 3.140 5.523 -8.235
310 HH11 ARG 40 HH11 ARG 40 2.538 7.457 -5.264
311 HH12 ARG 40 HH12 ARG 40 3.141 8.905 -5.926
312 HH21 ARG 40 HH21 ARG 40 3.958 7.447 -9.094
313 HH22 ARG 40 HH22 ARG 40 3.794 8.946 -8.240
314 HA PRO 41 HA PRO 41 -4.101 5.947 -5.408
315 HB2 PRO 41 HB2 PRO 41 -3.696 7.289 -3.052
316 HB3 PRO 41 HB3 PRO 41 -4.130 5.552 -3.165
317 HG2 PRO 41 HG2 PRO 41 -1.425 6.800 -2.816
318 HG3 PRO 41 HG3 PRO 41 -2.159 5.497 -1.836
319 HD2 PRO 41 HD2 PRO 41 -0.411 5.159 -3.928
320 HD3 PRO 41 HD3 PRO 41 -1.644 3.942 -3.544
321 H SER 42 H SER 42 -4.405 8.561 -4.883
322 HA SER 42 HA SER 42 -2.166 10.127 -5.870
323 HB2 SER 42 HB2 SER 42 -3.231 8.945 -7.926
324 HB3 SER 42 HB3 SER 42 -4.643 9.965 -7.643
325 HG SER 42 HG SER 42 -3.463 11.113 -8.998
326 H GLY 43 H GLY 43 -2.818 10.716 -3.641
327 HA2 GLY 43 HA2 GLY 43 -3.489 12.812 -2.625
328 HA3 GLY 43 HA3 GLY 43 -4.916 12.858 -3.668
Start of MODEL 14
1 H1 GLY 1 H GLY 1 15.116 -2.717 8.992
2 HA2 GLY 1 HA2 GLY 1 15.822 -1.272 6.505
3 HA3 GLY 1 HA3 GLY 1 16.941 -1.534 7.858
4 H LEU 2 H LEU 2 15.454 -2.888 4.998
5 HA LEU 2 HA LEU 2 17.290 -5.192 5.118
6 HB2 LEU 2 HB2 LEU 2 15.318 -6.100 6.159
7 HB3 LEU 2 HB3 LEU 2 14.267 -5.448 4.912
8 HG LEU 2 HG LEU 2 15.160 -6.980 3.239
9 HD11 LEU 2 HD11 LEU 2 17.106 -7.829 5.428
10 HD12 LEU 2 HD12 LEU 2 17.481 -7.202 3.799
11 HD13 LEU 2 HD13 LEU 2 16.765 -8.803 3.981
12 HD21 LEU 2 HD21 LEU 2 14.406 -9.080 4.199
13 HD22 LEU 2 HD22 LEU 2 13.376 -7.760 4.776
14 HD23 LEU 2 HD23 LEU 2 14.620 -8.448 5.849
15 H GLU 3 H GLU 3 14.444 -4.268 3.050
16 HA GLU 3 HA GLU 3 16.205 -4.543 0.722
17 HB2 GLU 3 HB2 GLU 3 13.252 -3.866 1.102
18 HB3 GLU 3 HB3 GLU 3 14.036 -3.746 -0.471
19 HG2 GLU 3 HG2 GLU 3 13.839 -6.257 1.240
20 HG3 GLU 3 HG3 GLU 3 12.948 -5.932 -0.246
21 H HIS 4 H HIS 4 16.628 -2.904 -0.802
22 HA HIS 4 HA HIS 4 17.200 -0.320 0.447
23 HB2 HIS 4 HB2 HIS 4 18.264 0.148 -1.772
24 HB3 HIS 4 HB3 HIS 4 18.915 -1.239 -0.916
25 HD1 HIS 4 HD1 HIS 4 18.120 -3.791 -1.990
26 HD2 HIS 4 HD2 HIS 4 17.442 -0.255 -4.229
27 HE1 HIS 4 HE1 HIS 4 17.635 -4.514 -4.349
28 H MET 5 H MET 5 15.271 -1.586 -2.206
29 HA MET 5 HA MET 5 14.003 0.699 -3.162
30 HB2 MET 5 HB2 MET 5 14.437 -1.709 -4.039
31 HB3 MET 5 HB3 MET 5 12.979 -2.157 -3.152
32 HG2 MET 5 HG2 MET 5 11.696 -0.567 -4.609
33 HG3 MET 5 HG3 MET 5 13.200 -0.230 -5.483
34 HE1 MET 5 HE1 MET 5 10.546 -1.237 -6.856
35 HE2 MET 5 HE2 MET 5 12.024 -1.071 -7.837
36 HE3 MET 5 HE3 MET 5 11.082 -2.571 -7.894
37 H ALA 6 H ALA 6 13.482 -0.135 -0.042
38 HA ALA 6 HA ALA 6 10.583 -0.317 0.064
39 HB1 ALA 6 HB1 ALA 6 12.103 -1.381 1.707
40 HB2 ALA 6 HB2 ALA 6 12.651 0.230 2.238
41 HB3 ALA 6 HB3 ALA 6 10.974 -0.268 2.503
42 H ASP 7 H ASP 7 11.359 2.045 -1.366
43 HA ASP 7 HA ASP 7 10.851 4.380 0.364
44 HB2 ASP 7 HB2 ASP 7 11.051 4.459 -2.656
45 HB3 ASP 7 HB3 ASP 7 11.431 5.719 -1.488
46 H GLU 8 H GLU 8 9.065 2.114 -1.170
47 HA GLU 8 HA GLU 8 6.979 3.415 -2.557
48 HB2 GLU 8 HB2 GLU 8 5.958 1.195 -2.418
49 HB3 GLU 8 HB3 GLU 8 7.651 1.119 -2.864
50 HG2 GLU 8 HG2 GLU 8 8.226 0.491 -0.506
51 HG3 GLU 8 HG3 GLU 8 6.505 0.530 -0.095
52 H GLU 9 H GLU 9 7.597 3.344 0.780
53 HA GLU 9 HA GLU 9 4.927 3.433 1.827
54 HB2 GLU 9 HB2 GLU 9 7.054 2.647 2.881
55 HB3 GLU 9 HB3 GLU 9 7.582 4.313 3.030
56 HG2 GLU 9 HG2 GLU 9 6.064 4.740 4.783
57 HG3 GLU 9 HG3 GLU 9 4.962 3.455 4.258
58 H LYS 10 H LYS 10 6.054 5.521 -0.213
59 HA LYS 10 HA LYS 10 5.648 8.056 1.176
60 HB2 LYS 10 HB2 LYS 10 7.093 7.306 -1.080
61 HB3 LYS 10 HB3 LYS 10 5.771 8.219 -1.775
62 HG2 LYS 10 HG2 LYS 10 7.681 9.160 0.431
63 HG3 LYS 10 HG3 LYS 10 7.784 9.557 -1.271
64 HD2 LYS 10 HD2 LYS 10 6.820 11.477 -0.444
65 HD3 LYS 10 HD3 LYS 10 5.447 10.620 -1.037
66 HE2 LYS 10 HE2 LYS 10 4.982 11.707 1.076
67 HE3 LYS 10 HE3 LYS 10 4.835 9.966 1.292
68 HZ1 LYS 10 HZ1 LYS 10 6.635 9.965 2.683
69 HZ2 LYS 10 HZ2 LYS 10 6.173 11.503 2.916
70 HZ3 LYS 10 HZ3 LYS 10 7.424 11.195 1.898
71 H LEU 11 H LEU 11 3.336 5.960 0.617
72 HA LEU 11 HA LEU 11 1.444 7.171 -1.057
73 HB2 LEU 11 HB2 LEU 11 1.032 5.564 1.475
74 HB3 LEU 11 HB3 LEU 11 -0.190 5.767 0.244
75 HG LEU 11 HG LEU 11 2.423 4.256 0.006
76 HD11 LEU 11 HD11 LEU 11 -0.339 3.078 -0.285
77 HD12 LEU 11 HD12 LEU 11 0.366 3.362 1.350
78 HD13 LEU 11 HD13 LEU 11 1.201 2.325 0.205
79 HD21 LEU 11 HD21 LEU 11 0.194 4.164 -2.054
80 HD22 LEU 11 HD22 LEU 11 1.856 3.603 -2.200
81 HD23 LEU 11 HD23 LEU 11 1.539 5.330 -2.222
82 HA PRO 12 HA PRO 12 0.043 10.653 1.247
83 HB2 PRO 12 HB2 PRO 12 -2.556 10.920 0.339
84 HB3 PRO 12 HB3 PRO 12 -1.108 11.078 -0.709
85 HG2 PRO 12 HG2 PRO 12 -2.848 8.687 -0.229
86 HG3 PRO 12 HG3 PRO 12 -2.431 9.384 -1.822
87 HD2 PRO 12 HD2 PRO 12 -1.100 7.318 -0.752
88 HD3 PRO 12 HD3 PRO 12 -0.230 8.580 -1.684
89 HA PRO 13 HA PRO 13 -2.012 9.722 5.015
90 HB2 PRO 13 HB2 PRO 13 -3.701 11.934 5.437
91 HB3 PRO 13 HB3 PRO 13 -1.961 11.851 5.814
92 HG2 PRO 13 HG2 PRO 13 -3.320 12.988 3.387
93 HG3 PRO 13 HG3 PRO 13 -1.913 13.649 4.288
94 HD2 PRO 13 HD2 PRO 13 -1.616 12.326 1.949
95 HD3 PRO 13 HD3 PRO 13 -0.433 12.109 3.267
96 H GLY 14 H GLY 14 -3.558 8.301 5.378
97 HA2 GLY 14 HA2 GLY 14 -5.878 7.762 5.599
98 HA3 GLY 14 HA3 GLY 14 -6.196 8.399 3.979
99 H TRP 15 H TRP 15 -3.371 7.053 3.320
100 HA TRP 15 HA TRP 15 -4.549 4.418 2.625
101 HB2 TRP 15 HB2 TRP 15 -2.202 5.990 1.566
102 HB3 TRP 15 HB3 TRP 15 -2.426 4.319 1.180
103 HD1 TRP 15 HD1 TRP 15 -4.309 7.646 0.778
104 HE1 TRP 15 HE1 TRP 15 -5.715 7.546 -1.416
105 HE3 TRP 15 HE3 TRP 15 -3.910 2.683 -0.220
106 HZ2 TRP 15 HZ2 TRP 15 -6.730 5.526 -3.142
107 HZ3 TRP 15 HZ3 TRP 15 -5.157 1.669 -2.128
108 HH2 TRP 15 HH2 TRP 15 -6.563 3.086 -3.592
109 H GLU 16 H GLU 16 -3.181 2.563 2.766
110 HA GLU 16 HA GLU 16 -1.175 2.455 4.954
111 HB2 GLU 16 HB2 GLU 16 -3.974 1.442 5.166
112 HB3 GLU 16 HB3 GLU 16 -2.729 0.298 5.650
113 HG2 GLU 16 HG2 GLU 16 -2.727 3.128 6.749
114 HG3 GLU 16 HG3 GLU 16 -3.716 1.841 7.443
115 H LYS 17 H LYS 17 0.489 1.381 3.972
116 HA LYS 17 HA LYS 17 0.110 -0.376 1.661
117 HB2 LYS 17 HB2 LYS 17 2.022 1.314 2.298
118 HB3 LYS 17 HB3 LYS 17 2.708 -0.018 3.215
119 HG2 LYS 17 HG2 LYS 17 1.980 -0.096 0.258
120 HG3 LYS 17 HG3 LYS 17 3.563 0.373 0.841
121 HD2 LYS 17 HD2 LYS 17 2.315 -2.386 1.231
122 HD3 LYS 17 HD3 LYS 17 3.406 -1.913 -0.072
123 HE2 LYS 17 HE2 LYS 17 5.017 -1.079 1.786
124 HE3 LYS 17 HE3 LYS 17 4.028 -2.039 2.908
125 HZ1 LYS 17 HZ1 LYS 17 4.545 -3.958 1.343
126 HZ2 LYS 17 HZ2 LYS 17 5.804 -3.392 2.223
127 HZ3 LYS 17 HZ3 LYS 17 5.685 -2.955 0.646
128 H ARG 18 H ARG 18 -0.753 -2.386 2.057
129 HA ARG 18 HA ARG 18 0.352 -3.959 4.290
130 HB2 ARG 18 HB2 ARG 18 -2.613 -4.087 3.723
131 HB3 ARG 18 HB3 ARG 18 -1.687 -4.720 5.059
132 HG2 ARG 18 HG2 ARG 18 -1.167 -2.190 5.596
133 HG3 ARG 18 HG3 ARG 18 -2.562 -1.874 4.561
134 HD2 ARG 18 HD2 ARG 18 -4.009 -3.164 5.919
135 HD3 ARG 18 HD3 ARG 18 -2.668 -3.872 6.840
136 HE ARG 18 HE ARG 18 -2.283 -1.300 7.433
137 HH11 ARG 18 HH11 ARG 18 -5.127 -3.404 7.649
138 HH12 ARG 18 HH12 ARG 18 -5.693 -2.737 9.144
139 HH21 ARG 18 HH21 ARG 18 -3.009 -0.313 9.248
140 HH22 ARG 18 HH22 ARG 18 -4.358 -0.904 10.171
141 H MET 19 H MET 19 -0.940 -6.313 3.951
142 HA MET 19 HA MET 19 -0.379 -7.091 1.140
143 HB2 MET 19 HB2 MET 19 1.512 -7.411 2.828
144 HB3 MET 19 HB3 MET 19 0.470 -8.577 3.658
145 HG2 MET 19 HG2 MET 19 0.365 -9.814 1.438
146 HG3 MET 19 HG3 MET 19 1.627 -8.720 0.860
147 HE1 MET 19 HE1 MET 19 3.405 -8.403 3.669
148 HE2 MET 19 HE2 MET 19 4.601 -9.684 3.388
149 HE3 MET 19 HE3 MET 19 4.123 -8.614 2.051
150 H SER 20 H SER 20 -1.549 -8.788 0.315
151 HA SER 20 HA SER 20 -4.184 -9.297 1.403
152 HB2 SER 20 HB2 SER 20 -3.791 -9.231 -1.039
153 HB3 SER 20 HB3 SER 20 -2.548 -10.466 -0.892
154 HG SER 20 HG SER 20 -5.317 -10.781 -0.928
155 H ARG 21 H ARG 21 -4.549 -10.794 3.023
156 HA ARG 21 HA ARG 21 -2.415 -12.459 3.974
157 HB2 ARG 21 HB2 ARG 21 -4.462 -11.558 5.266
158 HB3 ARG 21 HB3 ARG 21 -5.387 -12.827 4.473
159 HG2 ARG 21 HG2 ARG 21 -4.904 -13.738 6.530
160 HG3 ARG 21 HG3 ARG 21 -3.654 -14.485 5.532
161 HD2 ARG 21 HD2 ARG 21 -3.349 -12.014 7.299
162 HD3 ARG 21 HD3 ARG 21 -2.924 -13.646 7.790
163 HE ARG 21 HE ARG 21 -1.303 -13.612 5.801
164 HH11 ARG 21 HH11 ARG 21 -2.053 -10.670 7.695
165 HH12 ARG 21 HH12 ARG 21 -0.429 -10.084 7.622
166 HH21 ARG 21 HH21 ARG 21 0.819 -12.752 5.647
167 HH22 ARG 21 HH22 ARG 21 1.194 -11.243 6.390
168 H SER 22 H SER 22 -5.090 -12.996 1.735
169 HA SER 22 HA SER 22 -5.307 -15.677 1.501
170 HB2 SER 22 HB2 SER 22 -6.523 -13.814 0.314
171 HB3 SER 22 HB3 SER 22 -5.211 -13.758 -0.860
172 HG SER 22 HG SER 22 -5.831 -15.587 -1.684
173 H SER 23 H SER 23 -2.828 -13.851 -0.486
174 HA SER 23 HA SER 23 -1.206 -16.366 -0.381
175 HB2 SER 23 HB2 SER 23 -2.473 -15.995 -2.583
176 HB3 SER 23 HB3 SER 23 -1.255 -14.719 -2.894
177 HG SER 23 HG SER 23 0.344 -16.263 -2.775
178 H GLY 24 H GLY 24 -1.213 -12.996 0.308
179 HA2 GLY 24 HA2 GLY 24 0.595 -12.002 1.393
180 HA3 GLY 24 HA3 GLY 24 1.735 -13.095 0.597
181 H ARG 25 H ARG 25 -0.901 -11.331 -1.159
182 HA ARG 25 HA ARG 25 1.154 -10.190 -2.917
183 HB2 ARG 25 HB2 ARG 25 -1.769 -10.786 -3.044
184 HB3 ARG 25 HB3 ARG 25 -1.297 -9.299 -3.828
185 HG2 ARG 25 HG2 ARG 25 0.070 -11.956 -4.408
186 HG3 ARG 25 HG3 ARG 25 -1.336 -11.362 -5.301
187 HD2 ARG 25 HD2 ARG 25 -0.086 -9.287 -5.881
188 HD3 ARG 25 HD3 ARG 25 1.338 -9.923 -5.079
189 HE ARG 25 HE ARG 25 1.749 -11.373 -6.790
190 HH11 ARG 25 HH11 ARG 25 -1.436 -9.871 -7.392
191 HH12 ARG 25 HH12 ARG 25 -1.448 -10.165 -9.071
192 HH21 ARG 25 HH21 ARG 25 1.845 -11.573 -9.113
193 HH22 ARG 25 HH22 ARG 25 0.536 -10.961 -10.062
194 H VAL 26 H VAL 26 2.063 -8.249 -2.388
195 HA VAL 26 HA VAL 26 0.939 -6.602 -0.304
196 HB VAL 26 HB VAL 26 3.140 -6.018 -2.317
197 HG11 VAL 26 HG11 VAL 26 2.343 -3.969 -1.173
198 HG12 VAL 26 HG12 VAL 26 2.513 -4.769 0.407
199 HG13 VAL 26 HG13 VAL 26 3.936 -4.428 -0.601
200 HG21 VAL 26 HG21 VAL 26 4.685 -6.706 -0.535
201 HG22 VAL 26 HG22 VAL 26 3.331 -7.095 0.540
202 HG23 VAL 26 HG23 VAL 26 3.629 -8.060 -0.921
203 H TYR 27 H TYR 27 -0.143 -4.561 -0.464
204 HA TYR 27 HA TYR 27 -0.677 -3.357 -3.015
205 HB2 TYR 27 HB2 TYR 27 -3.032 -3.654 -3.166
206 HB3 TYR 27 HB3 TYR 27 -2.320 -5.241 -3.063
207 HD1 TYR 27 HD1 TYR 27 -2.204 -6.367 -0.702
208 HD2 TYR 27 HD2 TYR 27 -4.835 -3.140 -1.767
209 HE1 TYR 27 HE1 TYR 27 -3.722 -7.026 1.101
210 HE2 TYR 27 HE2 TYR 27 -6.238 -3.658 0.239
211 HH TYR 27 HH TYR 27 -5.806 -6.615 2.167
212 H TYR 28 H TYR 28 -2.396 -1.529 -2.657
213 HA TYR 28 HA TYR 28 -1.728 -0.184 -0.118
214 HB2 TYR 28 HB2 TYR 28 -2.930 1.016 -2.628
215 HB3 TYR 28 HB3 TYR 28 -2.208 1.875 -1.334
216 HD1 TYR 28 HD2 TYR 28 0.300 0.657 -0.766
217 HD2 TYR 28 HD1 TYR 28 -1.616 1.267 -4.543
218 HE1 TYR 28 HE2 TYR 28 2.553 0.962 -1.821
219 HE2 TYR 28 HE1 TYR 28 0.583 1.449 -5.642
220 HH TYR 28 HH TYR 28 3.693 1.037 -4.085
221 H PHE 29 H PHE 29 -3.397 0.570 1.311
222 HA PHE 29 HA PHE 29 -6.210 -0.010 0.523
223 HB2 PHE 29 HB2 PHE 29 -5.688 -1.917 1.819
224 HB3 PHE 29 HB3 PHE 29 -4.719 -0.974 2.949
225 HD1 PHE 29 HD2 PHE 29 -8.272 -0.203 1.825
226 HD2 PHE 29 HD1 PHE 29 -5.623 -1.413 5.025
227 HE1 PHE 29 HE2 PHE 29 -10.082 0.115 3.438
228 HE2 PHE 29 HE1 PHE 29 -7.478 -1.123 6.641
229 HZ PHE 29 HZ PHE 29 -9.695 -0.337 5.853
230 H ASN 30 H ASN 30 -7.304 1.822 0.614
231 HA ASN 30 HA ASN 30 -6.474 3.999 2.399
232 HB2 ASN 30 HB2 ASN 30 -7.138 4.206 -0.069
233 HB3 ASN 30 HB3 ASN 30 -8.769 3.984 0.460
234 HD21 ASN 30 HD21 ASN 30 -7.283 6.530 -0.486
235 HD22 ASN 30 HD22 ASN 30 -7.894 7.730 0.617
236 H HIS 31 H HIS 31 -7.099 3.552 4.434
237 HA HIS 31 HA HIS 31 -9.650 2.214 5.001
238 HB2 HIS 31 HB2 HIS 31 -8.946 2.395 7.347
239 HB3 HIS 31 HB3 HIS 31 -7.723 1.640 6.335
240 HD1 HIS 31 HD1 HIS 31 -8.086 4.422 8.793
241 HD2 HIS 31 HD2 HIS 31 -5.524 3.258 5.634
242 HE1 HIS 31 HE1 HIS 31 -6.023 5.878 8.954
243 H ILE 32 H ILE 32 -8.794 5.436 4.292
244 HA ILE 32 HA ILE 32 -10.725 6.717 6.083
245 HB ILE 32 HB ILE 32 -8.476 7.430 4.253
246 HG12 ILE 32 HG12 ILE 32 -8.000 9.131 5.896
247 HG13 ILE 32 HG13 ILE 32 -9.559 8.889 6.677
248 HG21 ILE 32 HG21 ILE 32 -10.811 9.320 4.395
249 HG22 ILE 32 HG22 ILE 32 -9.151 9.804 3.983
250 HG23 ILE 32 HG23 ILE 32 -10.011 8.662 2.951
251 HD11 ILE 32 HD11 ILE 32 -7.570 7.835 7.833
252 HD12 ILE 32 HD12 ILE 32 -8.920 6.737 7.516
253 HD13 ILE 32 HD13 ILE 32 -7.489 6.696 6.463
254 H THR 33 H THR 33 -10.471 5.698 2.697
255 HA THR 33 HA THR 33 -13.307 6.526 2.299
256 HB THR 33 HB THR 33 -11.303 7.826 1.287
257 HG1 THR 33 HG1 THR 33 -12.860 8.613 0.299
258 HG21 THR 33 HG21 THR 33 -10.322 5.623 0.483
259 HG22 THR 33 HG22 THR 33 -10.272 7.001 -0.627
260 HG23 THR 33 HG23 THR 33 -11.478 5.699 -0.849
261 H ASN 34 H ASN 34 -11.497 3.825 2.735
262 HA ASN 34 HA ASN 34 -11.682 1.663 2.335
263 HB2 ASN 34 HB2 ASN 34 -13.896 2.249 3.222
264 HB3 ASN 34 HB3 ASN 34 -14.547 2.233 1.583
265 HD21 ASN 34 HD21 ASN 34 -15.879 0.367 1.693
266 HD22 ASN 34 HD22 ASN 34 -15.176 -1.231 1.904
267 H ALA 35 H ALA 35 -10.447 2.902 0.363
268 HA ALA 35 HA ALA 35 -11.176 1.433 -2.136
269 HB1 ALA 35 HB1 ALA 35 -11.531 3.843 -2.301
270 HB2 ALA 35 HB2 ALA 35 -9.832 4.141 -1.845
271 HB3 ALA 35 HB3 ALA 35 -10.216 3.288 -3.364
272 H SER 36 H SER 36 -9.718 -0.181 -2.349
273 HA SER 36 HA SER 36 -6.883 0.184 -1.518
274 HB2 SER 36 HB2 SER 36 -6.944 -2.223 -0.950
275 HB3 SER 36 HB3 SER 36 -8.034 -1.288 0.084
276 HG SER 36 HG SER 36 -8.969 -2.430 -2.295
277 H GLN 37 H GLN 37 -5.309 -0.346 -3.127
278 HA GLN 37 HA GLN 37 -5.847 -2.472 -4.968
279 HB2 GLN 37 HB2 GLN 37 -5.746 -1.015 -7.022
280 HB3 GLN 37 HB3 GLN 37 -7.245 -0.930 -6.127
281 HG2 GLN 37 HG2 GLN 37 -6.374 1.230 -5.070
282 HG3 GLN 37 HG3 GLN 37 -5.039 1.159 -6.213
283 HE21 GLN 37 HE21 GLN 37 -6.821 0.121 -8.522
284 HE22 GLN 37 HE22 GLN 37 -7.795 1.471 -8.946
285 H TRP 38 H TRP 38 -4.099 -2.610 -6.601
286 HA TRP 38 HA TRP 38 -1.479 -2.138 -5.440
287 HB2 TRP 38 HB2 TRP 38 -0.812 -2.818 -7.826
288 HB3 TRP 38 HB3 TRP 38 -1.623 -4.025 -6.841
289 HD1 TRP 38 HD1 TRP 38 -2.871 -1.375 -9.489
290 HE1 TRP 38 HE1 TRP 38 -4.751 -2.415 -10.852
291 HE3 TRP 38 HE3 TRP 38 -2.891 -6.054 -7.420
292 HZ2 TRP 38 HZ2 TRP 38 -5.968 -4.978 -11.161
293 HZ3 TRP 38 HZ3 TRP 38 -4.320 -7.821 -8.419
294 HH2 TRP 38 HH2 TRP 38 -5.849 -7.317 -10.252
295 H GLU 39 H GLU 39 -3.643 -0.272 -7.327
296 HA GLU 39 HA GLU 39 -1.845 1.250 -8.917
297 HB2 GLU 39 HB2 GLU 39 -4.616 0.815 -8.728
298 HB3 GLU 39 HB3 GLU 39 -4.420 2.546 -8.405
299 HG2 GLU 39 HG2 GLU 39 -3.120 2.768 -10.504
300 HG3 GLU 39 HG3 GLU 39 -3.193 1.022 -10.737
301 H ARG 40 H ARG 40 -0.563 2.719 -8.305
302 HA ARG 40 HA ARG 40 -0.168 3.628 -5.673
303 HB2 ARG 40 HB2 ARG 40 0.809 4.626 -8.351
304 HB3 ARG 40 HB3 ARG 40 1.209 5.472 -6.854
305 HG2 ARG 40 HG2 ARG 40 2.277 3.562 -5.907
306 HG3 ARG 40 HG3 ARG 40 1.680 2.495 -7.171
307 HD2 ARG 40 HD2 ARG 40 4.156 3.151 -7.302
308 HD3 ARG 40 HD3 ARG 40 3.197 3.324 -8.780
309 HE ARG 40 HE ARG 40 3.690 5.510 -8.827
310 HH11 ARG 40 HH11 ARG 40 4.186 4.633 -5.408
311 HH12 ARG 40 HH12 ARG 40 4.172 6.309 -4.904
312 HH21 ARG 40 HH21 ARG 40 3.764 7.625 -8.127
313 HH22 ARG 40 HH22 ARG 40 4.084 7.988 -6.452
314 HA PRO 41 HA PRO 41 -3.565 6.626 -5.630
315 HB2 PRO 41 HB2 PRO 41 -3.331 7.474 -3.045
316 HB3 PRO 41 HB3 PRO 41 -3.932 5.859 -3.522
317 HG2 PRO 41 HG2 PRO 41 -1.069 6.543 -2.727
318 HG3 PRO 41 HG3 PRO 41 -2.146 5.344 -1.949
319 HD2 PRO 41 HD2 PRO 41 -0.369 4.756 -3.962
320 HD3 PRO 41 HD3 PRO 41 -1.951 3.932 -3.968
321 H SER 42 H SER 42 -3.651 9.143 -4.820
322 HA SER 42 HA SER 42 -1.028 10.424 -4.954
323 HB2 SER 42 HB2 SER 42 -1.869 11.809 -7.006
324 HB3 SER 42 HB3 SER 42 -1.096 10.244 -7.240
325 HG SER 42 HG SER 42 -3.867 10.828 -7.328
326 H GLY 43 H GLY 43 -1.948 10.830 -2.878
327 HA2 GLY 43 HA2 GLY 43 -3.972 13.026 -2.771
328 HA3 GLY 43 HA3 GLY 43 -3.350 12.100 -1.391
Start of MODEL 15
1 H1 GLY 1 H GLY 1 6.839 -7.621 0.584
2 HA2 GLY 1 HA2 GLY 1 8.817 -9.027 1.120
3 HA3 GLY 1 HA3 GLY 1 8.850 -8.337 -0.508
4 H LEU 2 H LEU 2 10.721 -7.361 -1.088
5 HA LEU 2 HA LEU 2 12.070 -5.572 0.663
6 HB2 LEU 2 HB2 LEU 2 12.867 -7.946 1.450
7 HB3 LEU 2 HB3 LEU 2 13.737 -8.021 -0.061
8 HG LEU 2 HG LEU 2 15.177 -7.312 1.744
9 HD11 LEU 2 HD11 LEU 2 14.702 -4.860 0.008
10 HD12 LEU 2 HD12 LEU 2 15.681 -6.273 -0.455
11 HD13 LEU 2 HD13 LEU 2 16.135 -5.226 0.917
12 HD21 LEU 2 HD21 LEU 2 13.292 -6.258 3.113
13 HD22 LEU 2 HD22 LEU 2 13.503 -4.811 2.118
14 HD23 LEU 2 HD23 LEU 2 14.840 -5.404 3.115
15 H GLU 3 H GLU 3 12.152 -4.077 -0.855
16 HA GLU 3 HA GLU 3 13.302 -4.663 -3.545
17 HB2 GLU 3 HB2 GLU 3 12.172 -2.454 -4.132
18 HB3 GLU 3 HB3 GLU 3 11.138 -3.853 -3.968
19 HG2 GLU 3 HG2 GLU 3 11.510 -1.784 -1.753
20 HG3 GLU 3 HG3 GLU 3 10.259 -1.674 -3.000
21 H HIS 4 H HIS 4 14.890 -3.027 -4.315
22 HA HIS 4 HA HIS 4 16.614 -2.130 -2.176
23 HB2 HIS 4 HB2 HIS 4 16.603 -1.626 -5.180
24 HB3 HIS 4 HB3 HIS 4 17.864 -1.069 -4.105
25 HD1 HIS 4 HD1 HIS 4 16.801 -4.683 -3.339
26 HD2 HIS 4 HD2 HIS 4 19.484 -2.487 -5.756
27 HE1 HIS 4 HE1 HIS 4 18.580 -6.301 -4.089
28 H MET 5 H MET 5 13.775 -0.703 -3.310
29 HA MET 5 HA MET 5 14.580 1.993 -2.377
30 HB2 MET 5 HB2 MET 5 13.155 2.884 -4.251
31 HB3 MET 5 HB3 MET 5 14.708 2.235 -4.713
32 HG2 MET 5 HG2 MET 5 12.252 0.473 -4.900
33 HG3 MET 5 HG3 MET 5 12.517 1.723 -6.103
34 HE1 MET 5 HE1 MET 5 15.570 0.730 -8.064
35 HE2 MET 5 HE2 MET 5 13.894 1.279 -8.314
36 HE3 MET 5 HE3 MET 5 14.918 2.065 -7.097
37 H ALA 6 H ALA 6 13.474 1.985 -0.459
38 HA ALA 6 HA ALA 6 10.782 0.895 -0.181
39 HB1 ALA 6 HB1 ALA 6 12.516 0.699 1.590
40 HB2 ALA 6 HB2 ALA 6 12.532 2.478 1.742
41 HB3 ALA 6 HB3 ALA 6 11.057 1.549 2.138
42 H ASP 7 H ASP 7 10.485 2.664 -2.100
43 HA ASP 7 HA ASP 7 9.772 5.373 -1.083
44 HB2 ASP 7 HB2 ASP 7 9.703 4.185 -3.875
45 HB3 ASP 7 HB3 ASP 7 9.046 5.762 -3.486
46 H GLU 8 H GLU 8 8.405 2.381 -1.045
47 HA GLU 8 HA GLU 8 5.691 3.028 -1.837
48 HB2 GLU 8 HB2 GLU 8 5.280 0.786 -1.425
49 HB3 GLU 8 HB3 GLU 8 6.832 0.865 -2.195
50 HG2 GLU 8 HG2 GLU 8 7.957 0.377 -0.067
51 HG3 GLU 8 HG3 GLU 8 6.408 0.432 0.799
52 H GLU 9 H GLU 9 7.589 3.108 1.098
53 HA GLU 9 HA GLU 9 5.384 3.330 2.958
54 HB2 GLU 9 HB2 GLU 9 7.604 2.323 3.443
55 HB3 GLU 9 HB3 GLU 9 8.378 3.888 3.218
56 HG2 GLU 9 HG2 GLU 9 7.486 4.737 5.251
57 HG3 GLU 9 HG3 GLU 9 6.216 3.525 5.325
58 H LYS 10 H LYS 10 5.362 5.289 0.697
59 HA LYS 10 HA LYS 10 5.340 7.808 2.314
60 HB2 LYS 10 HB2 LYS 10 6.545 7.436 -0.457
61 HB3 LYS 10 HB3 LYS 10 6.076 9.001 0.201
62 HG2 LYS 10 HG2 LYS 10 8.229 9.032 0.840
63 HG3 LYS 10 HG3 LYS 10 7.470 8.371 2.278
64 HD2 LYS 10 HD2 LYS 10 8.155 6.049 0.882
65 HD3 LYS 10 HD3 LYS 10 9.418 7.183 0.383
66 HE2 LYS 10 HE2 LYS 10 9.576 7.774 2.934
67 HE3 LYS 10 HE3 LYS 10 8.666 6.284 3.190
68 HZ1 LYS 10 HZ1 LYS 10 10.528 5.197 1.882
69 HZ2 LYS 10 HZ2 LYS 10 10.895 5.747 3.369
70 HZ3 LYS 10 HZ3 LYS 10 11.348 6.637 2.054
71 H LEU 11 H LEU 11 3.100 5.869 1.461
72 HA LEU 11 HA LEU 11 1.460 6.965 -0.420
73 HB2 LEU 11 HB2 LEU 11 0.650 5.841 2.301
74 HB3 LEU 11 HB3 LEU 11 -0.375 5.913 0.890
75 HG LEU 11 HG LEU 11 1.999 4.119 1.362
76 HD11 LEU 11 HD11 LEU 11 0.369 2.371 1.201
77 HD12 LEU 11 HD12 LEU 11 -0.865 3.430 0.535
78 HD13 LEU 11 HD13 LEU 11 -0.355 3.596 2.236
79 HD21 LEU 11 HD21 LEU 11 2.001 4.983 -1.071
80 HD22 LEU 11 HD22 LEU 11 0.408 4.173 -1.243
81 HD23 LEU 11 HD23 LEU 11 1.876 3.269 -0.838
82 HA PRO 12 HA PRO 12 -0.094 10.831 1.110
83 HB2 PRO 12 HB2 PRO 12 -2.621 10.888 -0.095
84 HB3 PRO 12 HB3 PRO 12 -1.079 10.983 -1.003
85 HG2 PRO 12 HG2 PRO 12 -2.773 8.563 -0.374
86 HG3 PRO 12 HG3 PRO 12 -2.235 9.081 -1.989
87 HD2 PRO 12 HD2 PRO 12 -0.926 7.244 -0.559
88 HD3 PRO 12 HD3 PRO 12 0.007 8.445 -1.520
89 HA PRO 13 HA PRO 13 -2.347 9.807 4.788
90 HB2 PRO 13 HB2 PRO 13 -3.823 12.116 5.312
91 HB3 PRO 13 HB3 PRO 13 -2.090 11.882 5.668
92 HG2 PRO 13 HG2 PRO 13 -3.356 13.283 3.339
93 HG3 PRO 13 HG3 PRO 13 -1.916 13.769 4.274
94 HD2 PRO 13 HD2 PRO 13 -1.737 12.529 1.834
95 HD3 PRO 13 HD3 PRO 13 -0.533 12.238 3.113
96 H GLY 14 H GLY 14 -4.083 8.530 5.058
97 HA2 GLY 14 HA2 GLY 14 -6.472 8.174 4.969
98 HA3 GLY 14 HA3 GLY 14 -6.503 8.805 3.316
99 H TRP 15 H TRP 15 -3.698 7.275 3.088
100 HA TRP 15 HA TRP 15 -4.865 4.631 2.383
101 HB2 TRP 15 HB2 TRP 15 -2.533 6.186 1.276
102 HB3 TRP 15 HB3 TRP 15 -2.715 4.459 1.049
103 HD1 TRP 15 HD1 TRP 15 -4.615 7.705 0.189
104 HE1 TRP 15 HE1 TRP 15 -5.952 7.289 -1.993
105 HE3 TRP 15 HE3 TRP 15 -3.789 2.706 -0.402
106 HZ2 TRP 15 HZ2 TRP 15 -6.537 5.136 -3.754
107 HZ3 TRP 15 HZ3 TRP 15 -4.771 1.487 -2.349
108 HH2 TRP 15 HH2 TRP 15 -6.182 2.685 -3.989
109 H GLU 16 H GLU 16 -3.623 2.777 2.823
110 HA GLU 16 HA GLU 16 -1.553 3.027 4.944
111 HB2 GLU 16 HB2 GLU 16 -4.303 2.211 5.261
112 HB3 GLU 16 HB3 GLU 16 -3.314 0.775 5.419
113 HG2 GLU 16 HG2 GLU 16 -2.664 3.358 6.890
114 HG3 GLU 16 HG3 GLU 16 -3.771 2.144 7.530
115 H LYS 17 H LYS 17 0.183 1.857 4.457
116 HA LYS 17 HA LYS 17 0.208 0.078 2.124
117 HB2 LYS 17 HB2 LYS 17 1.950 1.871 2.953
118 HB3 LYS 17 HB3 LYS 17 2.517 0.601 4.020
119 HG2 LYS 17 HG2 LYS 17 2.265 0.393 0.998
120 HG3 LYS 17 HG3 LYS 17 3.730 0.912 1.795
121 HD2 LYS 17 HD2 LYS 17 2.454 -1.852 2.073
122 HD3 LYS 17 HD3 LYS 17 3.790 -1.402 0.998
123 HE2 LYS 17 HE2 LYS 17 4.891 -0.405 3.148
124 HE3 LYS 17 HE3 LYS 17 3.785 -1.449 4.042
125 HZ1 LYS 17 HZ1 LYS 17 4.813 -3.335 2.932
126 HZ2 LYS 17 HZ2 LYS 17 5.944 -2.406 3.646
127 HZ3 LYS 17 HZ3 LYS 17 5.778 -2.324 2.016
128 H ARG 18 H ARG 18 -0.650 -1.906 2.477
129 HA ARG 18 HA ARG 18 0.173 -3.374 4.966
130 HB2 ARG 18 HB2 ARG 18 -2.601 -3.502 3.687
131 HB3 ARG 18 HB3 ARG 18 -2.044 -4.374 5.119
132 HG2 ARG 18 HG2 ARG 18 -1.470 -1.959 6.030
133 HG3 ARG 18 HG3 ARG 18 -2.638 -1.439 4.813
134 HD2 ARG 18 HD2 ARG 18 -4.368 -2.848 5.833
135 HD3 ARG 18 HD3 ARG 18 -3.198 -3.512 6.982
136 HE ARG 18 HE ARG 18 -2.885 -0.845 7.378
137 HH11 ARG 18 HH11 ARG 18 -5.806 -2.891 7.822
138 HH12 ARG 18 HH12 ARG 18 -6.498 -1.691 8.908
139 HH21 ARG 18 HH21 ARG 18 -3.718 0.429 8.809
140 HH22 ARG 18 HH22 ARG 18 -5.318 0.267 9.473
141 H MET 19 H MET 19 -0.737 -5.786 4.614
142 HA MET 19 HA MET 19 0.204 -6.768 1.995
143 HB2 MET 19 HB2 MET 19 2.013 -6.840 3.784
144 HB3 MET 19 HB3 MET 19 1.027 -8.076 4.609
145 HG2 MET 19 HG2 MET 19 1.051 -9.367 2.409
146 HG3 MET 19 HG3 MET 19 2.217 -8.183 1.820
147 HE1 MET 19 HE1 MET 19 5.146 -8.848 4.495
148 HE2 MET 19 HE2 MET 19 4.479 -7.657 3.348
149 HE3 MET 19 HE3 MET 19 3.682 -7.934 4.911
150 H SER 20 H SER 20 -0.964 -8.378 1.185
151 HA SER 20 HA SER 20 -3.566 -8.967 2.205
152 HB2 SER 20 HB2 SER 20 -2.884 -8.852 -0.212
153 HB3 SER 20 HB3 SER 20 -1.852 -10.262 0.022
154 HG SER 20 HG SER 20 -4.643 -10.056 0.015
155 H ARG 21 H ARG 21 -3.705 -10.259 4.112
156 HA ARG 21 HA ARG 21 -1.768 -12.170 4.929
157 HB2 ARG 21 HB2 ARG 21 -3.420 -11.199 6.418
158 HB3 ARG 21 HB3 ARG 21 -4.758 -11.930 5.534
159 HG2 ARG 21 HG2 ARG 21 -2.645 -13.677 6.813
160 HG3 ARG 21 HG3 ARG 21 -3.887 -12.923 7.807
161 HD2 ARG 21 HD2 ARG 21 -4.510 -14.769 5.468
162 HD3 ARG 21 HD3 ARG 21 -4.407 -15.278 7.136
163 HE ARG 21 HE ARG 21 -6.529 -13.716 5.850
164 HH11 ARG 21 HH11 ARG 21 -5.264 -14.855 9.037
165 HH12 ARG 21 HH12 ARG 21 -6.878 -14.873 9.703
166 HH21 ARG 21 HH21 ARG 21 -8.609 -13.904 6.888
167 HH22 ARG 21 HH22 ARG 21 -8.669 -14.338 8.570
168 H SER 22 H SER 22 -4.478 -12.411 2.677
169 HA SER 22 HA SER 22 -4.825 -15.151 2.556
170 HB2 SER 22 HB2 SER 22 -5.058 -13.009 0.403
171 HB3 SER 22 HB3 SER 22 -5.683 -14.663 0.224
172 HG SER 22 HG SER 22 -7.097 -12.863 1.190
173 H SER 23 H SER 23 -2.243 -13.305 0.876
174 HA SER 23 HA SER 23 -1.036 -15.953 0.318
175 HB2 SER 23 HB2 SER 23 -2.346 -15.103 -1.687
176 HB3 SER 23 HB3 SER 23 -1.105 -13.842 -1.855
177 HG SER 23 HG SER 23 -0.499 -16.607 -1.604
178 H GLY 24 H GLY 24 -0.549 -12.699 1.349
179 HA2 GLY 24 HA2 GLY 24 1.282 -11.910 2.480
180 HA3 GLY 24 HA3 GLY 24 2.294 -13.224 1.826
181 H ARG 25 H ARG 25 0.144 -10.631 0.431
182 HA ARG 25 HA ARG 25 2.313 -9.869 -1.457
183 HB2 ARG 25 HB2 ARG 25 -0.653 -10.331 -1.900
184 HB3 ARG 25 HB3 ARG 25 0.237 -9.211 -2.904
185 HG2 ARG 25 HG2 ARG 25 1.097 -12.095 -2.511
186 HG3 ARG 25 HG3 ARG 25 -0.027 -11.598 -3.781
187 HD2 ARG 25 HD2 ARG 25 1.686 -10.066 -4.714
188 HD3 ARG 25 HD3 ARG 25 2.846 -10.624 -3.495
189 HE ARG 25 HE ARG 25 2.011 -12.950 -4.587
190 HH11 ARG 25 HH11 ARG 25 3.450 -9.989 -6.065
191 HH12 ARG 25 HH12 ARG 25 4.065 -10.827 -7.429
192 HH21 ARG 25 HH21 ARG 25 2.901 -14.039 -6.410
193 HH22 ARG 25 HH22 ARG 25 3.957 -13.231 -7.488
194 H VAL 26 H VAL 26 2.963 -7.806 -1.272
195 HA VAL 26 HA VAL 26 1.682 -6.063 0.629
196 HB VAL 26 HB VAL 26 3.863 -5.506 -1.421
197 HG11 VAL 26 HG11 VAL 26 2.935 -3.432 -0.443
198 HG12 VAL 26 HG12 VAL 26 3.154 -4.108 1.197
199 HG13 VAL 26 HG13 VAL 26 4.557 -3.736 0.161
200 HG21 VAL 26 HG21 VAL 26 4.598 -7.359 0.013
201 HG22 VAL 26 HG22 VAL 26 5.428 -5.866 0.475
202 HG23 VAL 26 HG23 VAL 26 4.081 -6.459 1.465
203 H TYR 27 H TYR 27 0.501 -4.148 0.251
204 HA TYR 27 HA TYR 27 0.027 -3.131 -2.367
205 HB2 TYR 27 HB2 TYR 27 -2.259 -3.542 -2.672
206 HB3 TYR 27 HB3 TYR 27 -1.510 -5.089 -2.466
207 HD1 TYR 27 HD1 TYR 27 -1.487 -5.882 0.218
208 HD2 TYR 27 HD2 TYR 27 -4.317 -3.261 -1.708
209 HE1 TYR 27 HE1 TYR 27 -3.116 -6.349 2.006
210 HE2 TYR 27 HE2 TYR 27 -5.975 -3.785 0.076
211 HH TYR 27 HH TYR 27 -6.440 -4.906 1.879
212 H TYR 28 H TYR 28 -1.847 -1.406 -2.186
213 HA TYR 28 HA TYR 28 -1.445 0.084 0.339
214 HB2 TYR 28 HB2 TYR 28 -2.364 1.144 -2.349
215 HB3 TYR 28 HB3 TYR 28 -1.740 2.044 -0.987
216 HD1 TYR 28 HD2 TYR 28 0.679 0.840 -0.209
217 HD2 TYR 28 HD1 TYR 28 -0.877 1.186 -4.177
218 HE1 TYR 28 HE2 TYR 28 3.014 0.878 -1.088
219 HE2 TYR 28 HE1 TYR 28 1.432 1.154 -5.089
220 HH TYR 28 HH TYR 28 3.678 1.215 -4.613
221 H PHE 29 H PHE 29 -3.278 0.690 1.495
222 HA PHE 29 HA PHE 29 -5.929 0.040 0.334
223 HB2 PHE 29 HB2 PHE 29 -5.600 -1.855 1.644
224 HB3 PHE 29 HB3 PHE 29 -4.628 -0.998 2.823
225 HD1 PHE 29 HD2 PHE 29 -8.253 -0.643 1.571
226 HD2 PHE 29 HD1 PHE 29 -5.512 -0.883 4.921
227 HE1 PHE 29 HE2 PHE 29 -10.131 -0.514 3.138
228 HE2 PHE 29 HE1 PHE 29 -7.431 -0.746 6.476
229 HZ PHE 29 HZ PHE 29 -9.735 -0.551 5.592
230 H ASN 30 H ASN 30 -7.116 1.712 0.266
231 HA ASN 30 HA ASN 30 -6.662 4.055 1.957
232 HB2 ASN 30 HB2 ASN 30 -7.315 4.038 -0.522
233 HB3 ASN 30 HB3 ASN 30 -8.916 3.693 -0.002
234 HD21 ASN 30 HD21 ASN 30 -7.351 6.416 -0.787
235 HD22 ASN 30 HD22 ASN 30 -8.109 7.521 0.354
236 H HIS 31 H HIS 31 -7.163 3.558 3.969
237 HA HIS 31 HA HIS 31 -9.422 1.926 4.720
238 HB2 HIS 31 HB2 HIS 31 -8.665 2.306 7.003
239 HB3 HIS 31 HB3 HIS 31 -7.335 1.837 5.959
240 HD1 HIS 31 HD1 HIS 31 -8.195 4.450 8.445
241 HD2 HIS 31 HD2 HIS 31 -5.654 3.970 5.113
242 HE1 HIS 31 HE1 HIS 31 -6.527 6.343 8.518
243 H ILE 32 H ILE 32 -9.198 5.246 3.889
244 HA ILE 32 HA ILE 32 -11.309 6.186 5.681
245 HB ILE 32 HB ILE 32 -9.308 7.266 3.737
246 HG12 ILE 32 HG12 ILE 32 -9.120 9.084 5.311
247 HG13 ILE 32 HG13 ILE 32 -10.558 8.546 6.192
248 HG21 ILE 32 HG21 ILE 32 -11.896 8.810 4.058
249 HG22 ILE 32 HG22 ILE 32 -10.383 9.426 3.367
250 HG23 ILE 32 HG23 ILE 32 -11.242 8.133 2.542
251 HD11 ILE 32 HD11 ILE 32 -9.404 6.554 6.964
252 HD12 ILE 32 HD12 ILE 32 -8.029 6.890 5.876
253 HD13 ILE 32 HD13 ILE 32 -8.359 7.953 7.266
254 H THR 33 H THR 33 -10.985 5.021 2.352
255 HA THR 33 HA THR 33 -13.932 5.357 2.036
256 HB THR 33 HB THR 33 -12.277 6.952 0.866
257 HG1 THR 33 HG1 THR 33 -14.253 7.113 0.324
258 HG21 THR 33 HG21 THR 33 -11.301 6.233 -1.185
259 HG22 THR 33 HG22 THR 33 -12.053 4.633 -1.060
260 HG23 THR 33 HG23 THR 33 -10.799 5.113 0.113
261 H ASN 34 H ASN 34 -11.511 3.031 2.296
262 HA ASN 34 HA ASN 34 -11.512 0.825 2.093
263 HB2 ASN 34 HB2 ASN 34 -14.022 1.222 2.634
264 HB3 ASN 34 HB3 ASN 34 -14.298 0.769 0.971
265 HD21 ASN 34 HD21 ASN 34 -12.620 -0.335 3.965
266 HD22 ASN 34 HD22 ASN 34 -12.801 -2.055 3.628
267 H ALA 35 H ALA 35 -10.467 2.379 0.022
268 HA ALA 35 HA ALA 35 -10.934 0.686 -2.422
269 HB1 ALA 35 HB1 ALA 35 -11.485 3.070 -2.698
270 HB2 ALA 35 HB2 ALA 35 -9.835 3.521 -2.171
271 HB3 ALA 35 HB3 ALA 35 -10.078 2.580 -3.677
272 H SER 36 H SER 36 -9.264 -0.693 -2.745
273 HA SER 36 HA SER 36 -6.517 0.072 -1.950
274 HB2 SER 36 HB2 SER 36 -6.172 -2.127 -1.012
275 HB3 SER 36 HB3 SER 36 -7.434 -1.243 -0.162
276 HG SER 36 HG SER 36 -8.203 -3.269 -0.373
277 H GLN 37 H GLN 37 -4.824 -0.526 -3.221
278 HA GLN 37 HA GLN 37 -4.963 -2.709 -5.078
279 HB2 GLN 37 HB2 GLN 37 -4.535 -1.182 -7.068
280 HB3 GLN 37 HB3 GLN 37 -6.191 -1.311 -6.515
281 HG2 GLN 37 HG2 GLN 37 -6.082 0.879 -5.442
282 HG3 GLN 37 HG3 GLN 37 -4.356 1.025 -5.837
283 HE21 GLN 37 HE21 GLN 37 -6.144 3.061 -6.642
284 HE22 GLN 37 HE22 GLN 37 -6.235 2.996 -8.382
285 H TRP 38 H TRP 38 -2.896 -2.741 -6.361
286 HA TRP 38 HA TRP 38 -0.576 -2.049 -4.687
287 HB2 TRP 38 HB2 TRP 38 0.551 -3.109 -6.774
288 HB3 TRP 38 HB3 TRP 38 -0.383 -4.149 -5.690
289 HD1 TRP 38 HD1 TRP 38 -1.150 -2.112 -8.928
290 HE1 TRP 38 HE1 TRP 38 -2.776 -3.384 -10.378
291 HE3 TRP 38 HE3 TRP 38 -1.746 -6.250 -5.964
292 HZ2 TRP 38 HZ2 TRP 38 -4.141 -5.981 -10.313
293 HZ3 TRP 38 HZ3 TRP 38 -3.255 -8.090 -6.674
294 HH2 TRP 38 HH2 TRP 38 -4.441 -7.963 -8.853
295 H GLU 39 H GLU 39 -2.436 -0.333 -6.912
296 HA GLU 39 HA GLU 39 -0.366 0.931 -8.502
297 HB2 GLU 39 HB2 GLU 39 -2.849 0.457 -9.026
298 HB3 GLU 39 HB3 GLU 39 -3.229 1.813 -7.984
299 HG2 GLU 39 HG2 GLU 39 -2.153 3.386 -9.400
300 HG3 GLU 39 HG3 GLU 39 -1.325 2.112 -10.305
301 H ARG 40 H ARG 40 0.997 2.387 -7.527
302 HA ARG 40 HA ARG 40 0.622 3.403 -4.959
303 HB2 ARG 40 HB2 ARG 40 2.783 3.440 -5.631
304 HB3 ARG 40 HB3 ARG 40 2.454 4.198 -7.173
305 HG2 ARG 40 HG2 ARG 40 1.800 5.905 -4.819
306 HG3 ARG 40 HG3 ARG 40 3.479 5.438 -4.944
307 HD2 ARG 40 HD2 ARG 40 3.599 6.283 -7.259
308 HD3 ARG 40 HD3 ARG 40 1.861 6.640 -7.237
309 HE ARG 40 HE ARG 40 3.082 8.028 -5.091
310 HH11 ARG 40 HH11 ARG 40 2.893 8.115 -8.644
311 HH12 ARG 40 HH12 ARG 40 3.005 9.823 -8.753
312 HH21 ARG 40 HH21 ARG 40 3.386 10.351 -5.260
313 HH22 ARG 40 HH22 ARG 40 3.449 11.086 -6.818
314 HA PRO 41 HA PRO 41 -2.656 6.312 -5.758
315 HB2 PRO 41 HB2 PRO 41 -3.050 7.222 -3.227
316 HB3 PRO 41 HB3 PRO 41 -3.399 5.539 -3.720
317 HG2 PRO 41 HG2 PRO 41 -0.825 6.537 -2.436
318 HG3 PRO 41 HG3 PRO 41 -1.908 5.267 -1.834
319 HD2 PRO 41 HD2 PRO 41 0.303 4.847 -3.387
320 HD3 PRO 41 HD3 PRO 41 -1.126 3.826 -3.623
321 H SER 42 H SER 42 -3.171 8.676 -5.175
322 HA SER 42 HA SER 42 -0.892 10.468 -4.832
323 HB2 SER 42 HB2 SER 42 -0.800 9.883 -7.218
324 HB3 SER 42 HB3 SER 42 -2.524 10.263 -7.409
325 HG SER 42 HG SER 42 -0.394 12.032 -6.746
326 H GLY 43 H GLY 43 -2.194 10.722 -2.910
327 HA2 GLY 43 HA2 GLY 43 -4.779 12.196 -3.235
328 HA3 GLY 43 HA3 GLY 43 -4.314 11.260 -1.806
Start of MODEL 16
1 H1 GLY 1 H GLY 1 17.551 -12.223 -0.678
2 HA2 GLY 1 HA2 GLY 1 17.480 -11.338 1.658
3 HA3 GLY 1 HA3 GLY 1 18.496 -10.384 0.543
4 H LEU 2 H LEU 2 17.791 -8.872 2.561
5 HA LEU 2 HA LEU 2 15.149 -7.653 2.324
6 HB2 LEU 2 HB2 LEU 2 17.679 -6.677 3.739
7 HB3 LEU 2 HB3 LEU 2 16.122 -5.893 3.796
8 HG LEU 2 HG LEU 2 16.371 -6.974 5.834
9 HD11 LEU 2 HD11 LEU 2 14.545 -8.831 4.280
10 HD12 LEU 2 HD12 LEU 2 14.128 -7.190 4.833
11 HD13 LEU 2 HD13 LEU 2 14.521 -8.438 6.021
12 HD21 LEU 2 HD21 LEU 2 16.886 -9.636 4.484
13 HD22 LEU 2 HD22 LEU 2 16.950 -9.260 6.212
14 HD23 LEU 2 HD23 LEU 2 18.161 -8.576 5.124
15 H GLU 3 H GLU 3 14.626 -5.919 1.045
16 HA GLU 3 HA GLU 3 16.545 -4.981 -0.932
17 HB2 GLU 3 HB2 GLU 3 14.689 -3.709 -1.785
18 HB3 GLU 3 HB3 GLU 3 14.182 -5.366 -1.501
19 HG2 GLU 3 HG2 GLU 3 13.074 -4.661 0.610
20 HG3 GLU 3 HG3 GLU 3 13.568 -2.991 0.297
21 H HIS 4 H HIS 4 16.602 -2.426 -1.225
22 HA HIS 4 HA HIS 4 16.613 -1.007 1.366
23 HB2 HIS 4 HB2 HIS 4 18.864 -2.213 0.870
24 HB3 HIS 4 HB3 HIS 4 19.136 -0.939 -0.302
25 HD1 HIS 4 HD1 HIS 4 17.906 1.446 1.692
26 HD2 HIS 4 HD2 HIS 4 20.638 -1.617 2.624
27 HE1 HIS 4 HE1 HIS 4 19.153 2.203 3.781
28 H MET 5 H MET 5 15.118 -0.881 -1.274
29 HA MET 5 HA MET 5 15.438 2.027 -1.784
30 HB2 MET 5 HB2 MET 5 15.165 -0.189 -3.868
31 HB3 MET 5 HB3 MET 5 14.906 1.531 -4.193
32 HG2 MET 5 HG2 MET 5 17.533 0.309 -3.239
33 HG3 MET 5 HG3 MET 5 17.113 0.705 -4.908
34 HE1 MET 5 HE1 MET 5 19.701 2.057 -4.357
35 HE2 MET 5 HE2 MET 5 18.599 2.258 -5.740
36 HE3 MET 5 HE3 MET 5 19.263 3.686 -4.926
37 H ALA 6 H ALA 6 13.659 2.346 -0.403
38 HA ALA 6 HA ALA 6 11.114 1.006 -1.207
39 HB1 ALA 6 HB1 ALA 6 10.410 1.285 1.114
40 HB2 ALA 6 HB2 ALA 6 11.873 0.287 0.989
41 HB3 ALA 6 HB3 ALA 6 11.997 1.970 1.534
42 H ASP 7 H ASP 7 10.477 2.553 -2.710
43 HA ASP 7 HA ASP 7 10.057 5.348 -1.698
44 HB2 ASP 7 HB2 ASP 7 10.272 4.246 -4.527
45 HB3 ASP 7 HB3 ASP 7 9.611 5.826 -4.138
46 H GLU 8 H GLU 8 8.576 2.353 -2.124
47 HA GLU 8 HA GLU 8 5.963 3.112 -3.023
48 HB2 GLU 8 HB2 GLU 8 5.406 0.803 -2.322
49 HB3 GLU 8 HB3 GLU 8 6.788 0.924 -3.399
50 HG2 GLU 8 HG2 GLU 8 8.326 0.665 -1.427
51 HG3 GLU 8 HG3 GLU 8 6.905 0.487 -0.387
52 H GLU 9 H GLU 9 7.514 3.351 0.085
53 HA GLU 9 HA GLU 9 5.039 3.299 1.619
54 HB2 GLU 9 HB2 GLU 9 7.472 2.636 2.364
55 HB3 GLU 9 HB3 GLU 9 7.733 4.359 2.507
56 HG2 GLU 9 HG2 GLU 9 7.314 3.605 4.678
57 HG3 GLU 9 HG3 GLU 9 5.842 4.449 4.211
58 H LYS 10 H LYS 10 5.889 5.366 -0.570
59 HA LYS 10 HA LYS 10 5.624 7.928 0.835
60 HB2 LYS 10 HB2 LYS 10 6.055 8.984 -1.139
61 HB3 LYS 10 HB3 LYS 10 7.051 7.551 -1.218
62 HG2 LYS 10 HG2 LYS 10 5.356 6.472 -2.748
63 HG3 LYS 10 HG3 LYS 10 4.388 7.933 -2.702
64 HD2 LYS 10 HD2 LYS 10 7.208 7.751 -3.808
65 HD3 LYS 10 HD3 LYS 10 5.685 7.910 -4.734
66 HE2 LYS 10 HE2 LYS 10 5.243 10.058 -3.419
67 HE3 LYS 10 HE3 LYS 10 6.868 9.903 -2.753
68 HZ1 LYS 10 HZ1 LYS 10 7.305 11.230 -4.490
69 HZ2 LYS 10 HZ2 LYS 10 6.101 10.652 -5.461
70 HZ3 LYS 10 HZ3 LYS 10 7.505 9.810 -5.248
71 H LEU 11 H LEU 11 3.336 5.863 0.659
72 HA LEU 11 HA LEU 11 1.174 6.820 -0.792
73 HB2 LEU 11 HB2 LEU 11 1.195 5.559 1.973
74 HB3 LEU 11 HB3 LEU 11 -0.256 5.794 1.031
75 HG LEU 11 HG LEU 11 2.054 3.956 0.363
76 HD11 LEU 11 HD11 LEU 11 0.432 2.213 0.816
77 HD12 LEU 11 HD12 LEU 11 -0.887 3.338 0.966
78 HD13 LEU 11 HD13 LEU 11 0.411 3.324 2.189
79 HD21 LEU 11 HD21 LEU 11 -0.580 4.036 -1.168
80 HD22 LEU 11 HD22 LEU 11 0.921 3.236 -1.589
81 HD23 LEU 11 HD23 LEU 11 0.861 4.961 -1.722
82 HA PRO 12 HA PRO 12 -0.004 10.593 1.227
83 HB2 PRO 12 HB2 PRO 12 -2.543 10.891 0.273
84 HB3 PRO 12 HB3 PRO 12 -1.109 10.904 -0.805
85 HG2 PRO 12 HG2 PRO 12 -2.987 8.661 -0.179
86 HG3 PRO 12 HG3 PRO 12 -2.454 9.204 -1.791
87 HD2 PRO 12 HD2 PRO 12 -1.278 7.126 -0.448
88 HD3 PRO 12 HD3 PRO 12 -0.363 8.225 -1.533
89 HA PRO 13 HA PRO 13 -2.095 9.900 5.015
90 HB2 PRO 13 HB2 PRO 13 -4.002 11.950 5.216
91 HB3 PRO 13 HB3 PRO 13 -2.263 12.086 5.598
92 HG2 PRO 13 HG2 PRO 13 -3.690 12.804 3.030
93 HG3 PRO 13 HG3 PRO 13 -2.453 13.753 3.912
94 HD2 PRO 13 HD2 PRO 13 -1.773 12.294 1.771
95 HD3 PRO 13 HD3 PRO 13 -0.715 12.268 3.209
96 H GLY 14 H GLY 14 -3.806 8.811 5.866
97 HA2 GLY 14 HA2 GLY 14 -5.841 7.824 6.065
98 HA3 GLY 14 HA3 GLY 14 -6.330 8.371 4.457
99 H TRP 15 H TRP 15 -3.602 7.206 3.405
100 HA TRP 15 HA TRP 15 -4.654 4.520 2.975
101 HB2 TRP 15 HB2 TRP 15 -2.351 5.988 1.722
102 HB3 TRP 15 HB3 TRP 15 -2.709 4.302 1.434
103 HD1 TRP 15 HD1 TRP 15 -4.462 7.691 0.920
104 HE1 TRP 15 HE1 TRP 15 -5.835 7.560 -1.240
105 HE3 TRP 15 HE3 TRP 15 -3.959 2.706 -0.048
106 HZ2 TRP 15 HZ2 TRP 15 -6.745 5.488 -3.070
107 HZ3 TRP 15 HZ3 TRP 15 -5.160 1.663 -1.958
108 HH2 TRP 15 HH2 TRP 15 -6.592 3.033 -3.434
109 H GLU 16 H GLU 16 -3.069 2.673 3.004
110 HA GLU 16 HA GLU 16 -0.871 2.725 4.958
111 HB2 GLU 16 HB2 GLU 16 -3.595 1.449 5.288
112 HB3 GLU 16 HB3 GLU 16 -2.234 0.414 5.605
113 HG2 GLU 16 HG2 GLU 16 -2.211 3.123 6.904
114 HG3 GLU 16 HG3 GLU 16 -3.293 1.885 7.519
115 H LYS 17 H LYS 17 0.750 1.475 4.053
116 HA LYS 17 HA LYS 17 0.153 -0.123 1.646
117 HB2 LYS 17 HB2 LYS 17 2.169 1.410 1.934
118 HB3 LYS 17 HB3 LYS 17 2.778 0.313 3.154
119 HG2 LYS 17 HG2 LYS 17 2.191 -0.400 0.263
120 HG3 LYS 17 HG3 LYS 17 3.770 0.063 0.857
121 HD2 LYS 17 HD2 LYS 17 2.143 -2.460 1.403
122 HD3 LYS 17 HD3 LYS 17 3.668 -2.302 0.535
123 HE2 LYS 17 HE2 LYS 17 4.773 -1.413 2.536
124 HE3 LYS 17 HE3 LYS 17 3.320 -1.639 3.500
125 HZ1 LYS 17 HZ1 LYS 17 3.581 -4.031 3.248
126 HZ2 LYS 17 HZ2 LYS 17 4.959 -3.365 3.812
127 HZ3 LYS 17 HZ3 LYS 17 4.906 -3.839 2.273
128 H ARG 18 H ARG 18 -0.546 -2.178 1.949
129 HA ARG 18 HA ARG 18 0.484 -3.705 4.300
130 HB2 ARG 18 HB2 ARG 18 -2.438 -3.687 3.461
131 HB3 ARG 18 HB3 ARG 18 -1.708 -4.593 4.792
132 HG2 ARG 18 HG2 ARG 18 -0.953 -2.247 5.688
133 HG3 ARG 18 HG3 ARG 18 -2.180 -1.611 4.572
134 HD2 ARG 18 HD2 ARG 18 -3.879 -2.961 5.627
135 HD3 ARG 18 HD3 ARG 18 -2.704 -3.741 6.678
136 HE ARG 18 HE ARG 18 -2.320 -1.141 7.332
137 HH11 ARG 18 HH11 ARG 18 -5.238 -3.170 7.310
138 HH12 ARG 18 HH12 ARG 18 -6.162 -2.014 8.271
139 HH21 ARG 18 HH21 ARG 18 -3.353 0.104 8.783
140 HH22 ARG 18 HH22 ARG 18 -5.005 -0.175 9.263
141 H MET 19 H MET 19 -0.574 -6.096 4.019
142 HA MET 19 HA MET 19 0.062 -7.003 1.273
143 HB2 MET 19 HB2 MET 19 1.905 -7.237 2.930
144 HB3 MET 19 HB3 MET 19 0.871 -8.356 3.868
145 HG2 MET 19 HG2 MET 19 0.664 -9.737 1.785
146 HG3 MET 19 HG3 MET 19 1.809 -8.666 0.984
147 HE1 MET 19 HE1 MET 19 5.089 -9.263 3.020
148 HE2 MET 19 HE2 MET 19 4.339 -8.399 1.688
149 HE3 MET 19 HE3 MET 19 3.858 -8.026 3.359
150 H SER 20 H SER 20 -1.221 -8.566 0.432
151 HA SER 20 HA SER 20 -3.849 -8.884 1.481
152 HB2 SER 20 HB2 SER 20 -3.257 -8.745 -0.941
153 HB3 SER 20 HB3 SER 20 -2.509 -10.336 -0.805
154 HG SER 20 HG SER 20 -5.215 -9.634 -0.330
155 H ARG 21 H ARG 21 -4.227 -10.066 3.191
156 HA ARG 21 HA ARG 21 -2.643 -12.098 4.266
157 HB2 ARG 21 HB2 ARG 21 -4.480 -12.541 5.719
158 HB3 ARG 21 HB3 ARG 21 -4.310 -10.805 5.463
159 HG2 ARG 21 HG2 ARG 21 -6.182 -11.081 3.671
160 HG3 ARG 21 HG3 ARG 21 -6.453 -12.681 4.356
161 HD2 ARG 21 HD2 ARG 21 -6.437 -10.055 5.847
162 HD3 ARG 21 HD3 ARG 21 -7.921 -10.879 5.309
163 HE ARG 21 HE ARG 21 -6.678 -12.780 6.868
164 HH11 ARG 21 HH11 ARG 21 -7.521 -9.333 7.469
165 HH12 ARG 21 HH12 ARG 21 -7.894 -9.639 9.140
166 HH21 ARG 21 HH21 ARG 21 -7.319 -13.059 9.221
167 HH22 ARG 21 HH22 ARG 21 -7.796 -11.620 10.045
168 H SER 22 H SER 22 -4.466 -12.499 1.402
169 HA SER 22 HA SER 22 -5.226 -15.263 1.892
170 HB2 SER 22 HB2 SER 22 -6.487 -13.673 0.442
171 HB3 SER 22 HB3 SER 22 -5.151 -13.704 -0.725
172 HG SER 22 HG SER 22 -7.100 -15.232 -0.869
173 H SER 23 H SER 23 -2.662 -13.668 -0.184
174 HA SER 23 HA SER 23 -1.079 -16.177 0.081
175 HB2 SER 23 HB2 SER 23 -0.426 -15.972 -2.273
176 HB3 SER 23 HB3 SER 23 -2.166 -16.219 -2.092
177 HG SER 23 HG SER 23 -1.295 -14.520 -3.560
178 H GLY 24 H GLY 24 -1.013 -12.797 0.579
179 HA2 GLY 24 HA2 GLY 24 0.803 -11.767 1.575
180 HA3 GLY 24 HA3 GLY 24 1.923 -12.898 0.859
181 H ARG 25 H ARG 25 -0.669 -11.173 -0.916
182 HA ARG 25 HA ARG 25 1.361 -10.167 -2.818
183 HB2 ARG 25 HB2 ARG 25 -1.621 -10.639 -2.809
184 HB3 ARG 25 HB3 ARG 25 -1.041 -9.312 -3.763
185 HG2 ARG 25 HG2 ARG 25 -0.118 -12.205 -4.027
186 HG3 ARG 25 HG3 ARG 25 -1.276 -11.368 -5.064
187 HD2 ARG 25 HD2 ARG 25 0.636 -9.682 -5.557
188 HD3 ARG 25 HD3 ARG 25 1.717 -10.906 -4.853
189 HE ARG 25 HE ARG 25 -0.115 -11.955 -6.851
190 HH11 ARG 25 HH11 ARG 25 3.269 -10.816 -6.396
191 HH12 ARG 25 HH12 ARG 25 3.671 -11.188 -8.031
192 HH21 ARG 25 HH21 ARG 25 0.537 -12.558 -8.870
193 HH22 ARG 25 HH22 ARG 25 2.175 -12.323 -9.384
194 H VAL 26 H VAL 26 2.275 -8.157 -2.411
195 HA VAL 26 HA VAL 26 1.169 -6.479 -0.356
196 HB VAL 26 HB VAL 26 3.448 -6.151 -2.329
197 HG11 VAL 26 HG11 VAL 26 2.643 -4.393 0.035
198 HG12 VAL 26 HG12 VAL 26 4.202 -4.300 -0.818
199 HG13 VAL 26 HG13 VAL 26 2.721 -3.888 -1.671
200 HG21 VAL 26 HG21 VAL 26 3.689 -7.927 -0.574
201 HG22 VAL 26 HG22 VAL 26 4.773 -6.583 -0.252
202 HG23 VAL 26 HG23 VAL 26 3.282 -6.720 0.676
203 H TYR 27 H TYR 27 0.161 -4.503 -0.475
204 HA TYR 27 HA TYR 27 -0.476 -3.243 -2.971
205 HB2 TYR 27 HB2 TYR 27 -2.832 -3.571 -3.057
206 HB3 TYR 27 HB3 TYR 27 -2.117 -5.151 -3.003
207 HD1 TYR 27 HD1 TYR 27 -1.856 -6.165 -0.512
208 HD2 TYR 27 HD2 TYR 27 -4.727 -3.178 -1.695
209 HE1 TYR 27 HE1 TYR 27 -3.320 -6.781 1.382
210 HE2 TYR 27 HE2 TYR 27 -6.168 -3.824 0.238
211 HH TYR 27 HH TYR 27 -6.556 -5.898 1.590
212 H TYR 28 H TYR 28 -2.370 -1.576 -2.382
213 HA TYR 28 HA TYR 28 -1.619 -0.205 0.141
214 HB2 TYR 28 HB2 TYR 28 -2.686 0.996 -2.438
215 HB3 TYR 28 HB3 TYR 28 -1.964 1.837 -1.074
216 HD1 TYR 28 HD2 TYR 28 0.462 0.592 -0.466
217 HD2 TYR 28 HD1 TYR 28 -1.266 0.979 -4.363
218 HE1 TYR 28 HE2 TYR 28 2.745 0.764 -1.416
219 HE2 TYR 28 HE1 TYR 28 1.007 1.000 -5.364
220 HH TYR 28 HH TYR 28 3.348 1.104 -4.929
221 H PHE 29 H PHE 29 -3.293 0.517 1.470
222 HA PHE 29 HA PHE 29 -6.088 0.049 0.588
223 HB2 PHE 29 HB2 PHE 29 -5.462 -1.824 2.022
224 HB3 PHE 29 HB3 PHE 29 -4.725 -0.728 3.187
225 HD1 PHE 29 HD2 PHE 29 -8.198 -0.182 1.691
226 HD2 PHE 29 HD1 PHE 29 -5.874 -1.465 5.101
227 HE1 PHE 29 HE2 PHE 29 -10.221 -0.212 3.052
228 HE2 PHE 29 HE1 PHE 29 -7.953 -1.601 6.438
229 HZ PHE 29 HZ PHE 29 -10.129 -0.969 5.425
230 H ASN 30 H ASN 30 -7.495 1.519 1.312
231 HA ASN 30 HA ASN 30 -6.554 3.980 2.712
232 HB2 ASN 30 HB2 ASN 30 -7.122 3.991 0.133
233 HB3 ASN 30 HB3 ASN 30 -8.762 3.951 0.680
234 HD21 ASN 30 HD21 ASN 30 -8.272 6.273 -0.690
235 HD22 ASN 30 HD22 ASN 30 -8.064 7.583 0.450
236 H HIS 31 H HIS 31 -7.320 3.285 4.736
237 HA HIS 31 HA HIS 31 -9.993 2.116 4.958
238 HB2 HIS 31 HB2 HIS 31 -9.619 1.954 7.304
239 HB3 HIS 31 HB3 HIS 31 -8.200 1.384 6.448
240 HD1 HIS 31 HD1 HIS 31 -9.333 4.338 8.694
241 HD2 HIS 31 HD2 HIS 31 -5.885 2.575 6.978
242 HE1 HIS 31 HE1 HIS 31 -7.337 5.540 9.645
243 H ILE 32 H ILE 32 -8.842 5.271 4.571
244 HA ILE 32 HA ILE 32 -10.800 6.638 6.218
245 HB ILE 32 HB ILE 32 -8.569 7.327 4.395
246 HG12 ILE 32 HG12 ILE 32 -8.126 9.062 6.016
247 HG13 ILE 32 HG13 ILE 32 -9.700 8.829 6.783
248 HG21 ILE 32 HG21 ILE 32 -9.194 9.644 3.965
249 HG22 ILE 32 HG22 ILE 32 -10.232 8.542 3.085
250 HG23 ILE 32 HG23 ILE 32 -10.833 9.345 4.560
251 HD11 ILE 32 HD11 ILE 32 -9.053 6.718 7.688
252 HD12 ILE 32 HD12 ILE 32 -7.630 6.601 6.630
253 HD13 ILE 32 HD13 ILE 32 -7.668 7.793 7.944
254 H THR 33 H THR 33 -10.705 5.405 2.899
255 HA THR 33 HA THR 33 -13.521 6.319 2.600
256 HB THR 33 HB THR 33 -11.784 7.604 1.308
257 HG1 THR 33 HG1 THR 33 -14.096 7.170 0.627
258 HG21 THR 33 HG21 THR 33 -11.631 5.110 -0.389
259 HG22 THR 33 HG22 THR 33 -10.412 5.573 0.810
260 HG23 THR 33 HG23 THR 33 -10.734 6.629 -0.589
261 H ASN 34 H ASN 34 -11.483 3.643 2.765
262 HA ASN 34 HA ASN 34 -11.844 1.458 2.589
263 HB2 ASN 34 HB2 ASN 34 -14.324 2.319 3.215
264 HB3 ASN 34 HB3 ASN 34 -14.658 1.709 1.612
265 HD21 ASN 34 HD21 ASN 34 -12.986 0.824 4.694
266 HD22 ASN 34 HD22 ASN 34 -13.332 -0.882 4.591
267 H ALA 35 H ALA 35 -10.491 2.683 0.709
268 HA ALA 35 HA ALA 35 -11.225 1.231 -1.809
269 HB1 ALA 35 HB1 ALA 35 -10.071 3.011 -3.029
270 HB2 ALA 35 HB2 ALA 35 -11.445 3.649 -2.121
271 HB3 ALA 35 HB3 ALA 35 -9.777 3.892 -1.518
272 H SER 36 H SER 36 -9.743 -0.311 -2.244
273 HA SER 36 HA SER 36 -6.920 0.002 -1.397
274 HB2 SER 36 HB2 SER 36 -7.150 -2.612 -1.001
275 HB3 SER 36 HB3 SER 36 -7.376 -1.486 0.306
276 HG SER 36 HG SER 36 -9.290 -2.941 -1.129
277 H GLN 37 H GLN 37 -5.408 -0.685 -2.896
278 HA GLN 37 HA GLN 37 -5.948 -2.777 -4.720
279 HB2 GLN 37 HB2 GLN 37 -5.869 -1.475 -6.801
280 HB3 GLN 37 HB3 GLN 37 -7.343 -1.223 -5.872
281 HG2 GLN 37 HG2 GLN 37 -6.456 0.965 -5.065
282 HG3 GLN 37 HG3 GLN 37 -5.009 0.721 -6.045
283 HE21 GLN 37 HE21 GLN 37 -6.328 2.989 -6.663
284 HE22 GLN 37 HE22 GLN 37 -7.285 2.814 -8.113
285 H TRP 38 H TRP 38 -4.112 -2.865 -6.381
286 HA TRP 38 HA TRP 38 -1.559 -2.449 -5.037
287 HB2 TRP 38 HB2 TRP 38 -0.842 -3.317 -7.414
288 HB3 TRP 38 HB3 TRP 38 -1.590 -4.415 -6.255
289 HD1 TRP 38 HD1 TRP 38 -3.225 -2.013 -8.912
290 HE1 TRP 38 HE1 TRP 38 -4.972 -3.264 -10.155
291 HE3 TRP 38 HE3 TRP 38 -2.365 -6.688 -6.960
292 HZ2 TRP 38 HZ2 TRP 38 -5.756 -6.037 -10.536
293 HZ3 TRP 38 HZ3 TRP 38 -3.545 -8.641 -7.913
294 HH2 TRP 38 HH2 TRP 38 -5.220 -8.354 -9.720
295 H GLU 39 H GLU 39 -3.539 -0.602 -7.158
296 HA GLU 39 HA GLU 39 -1.475 0.735 -8.644
297 HB2 GLU 39 HB2 GLU 39 -3.916 0.311 -9.290
298 HB3 GLU 39 HB3 GLU 39 -4.346 1.647 -8.217
299 HG2 GLU 39 HG2 GLU 39 -2.935 3.189 -9.518
300 HG3 GLU 39 HG3 GLU 39 -2.359 1.842 -10.514
301 H ARG 40 H ARG 40 -0.162 2.191 -7.781
302 HA ARG 40 HA ARG 40 -0.325 3.160 -5.171
303 HB2 ARG 40 HB2 ARG 40 1.774 3.134 -6.096
304 HB3 ARG 40 HB3 ARG 40 1.291 3.969 -7.559
305 HG2 ARG 40 HG2 ARG 40 1.050 5.569 -5.030
306 HG3 ARG 40 HG3 ARG 40 2.662 5.097 -5.490
307 HD2 ARG 40 HD2 ARG 40 2.366 6.069 -7.736
308 HD3 ARG 40 HD3 ARG 40 0.693 6.454 -7.372
309 HE ARG 40 HE ARG 40 1.371 8.012 -5.696
310 HH11 ARG 40 HH11 ARG 40 3.969 7.037 -7.933
311 HH12 ARG 40 HH12 ARG 40 4.831 8.525 -7.838
312 HH21 ARG 40 HH21 ARG 40 2.414 10.065 -5.677
313 HH22 ARG 40 HH22 ARG 40 3.783 10.381 -6.687
314 HA PRO 41 HA PRO 41 -3.489 6.303 -5.585
315 HB2 PRO 41 HB2 PRO 41 -3.303 7.438 -3.087
316 HB3 PRO 41 HB3 PRO 41 -3.954 5.829 -3.406
317 HG2 PRO 41 HG2 PRO 41 -1.116 6.523 -2.589
318 HG3 PRO 41 HG3 PRO 41 -2.236 5.354 -1.795
319 HD2 PRO 41 HD2 PRO 41 -0.310 4.692 -3.621
320 HD3 PRO 41 HD3 PRO 41 -1.842 3.813 -3.590
321 H SER 42 H SER 42 -3.593 8.838 -4.788
322 HA SER 42 HA SER 42 -1.077 10.232 -5.194
323 HB2 SER 42 HB2 SER 42 -3.257 10.201 -7.287
324 HB3 SER 42 HB3 SER 42 -2.056 11.509 -7.162
325 HG SER 42 HG SER 42 -1.165 8.842 -7.152
326 H GLY 43 H GLY 43 -1.704 10.737 -3.042
327 HA2 GLY 43 HA2 GLY 43 -3.892 12.760 -2.816
328 HA3 GLY 43 HA3 GLY 43 -3.256 11.844 -1.457
Start of MODEL 17
1 H1 GLY 1 H GLY 1 13.426 -6.451 3.575
2 HA2 GLY 1 HA2 GLY 1 15.444 -7.831 3.970
3 HA3 GLY 1 HA3 GLY 1 15.260 -8.400 2.307
4 H LEU 2 H LEU 2 15.896 -7.020 0.571
5 HA LEU 2 HA LEU 2 17.995 -5.281 1.014
6 HB2 LEU 2 HB2 LEU 2 17.592 -6.353 -1.112
7 HB3 LEU 2 HB3 LEU 2 16.090 -5.450 -1.346
8 HG LEU 2 HG LEU 2 17.340 -3.333 -1.515
9 HD11 LEU 2 HD11 LEU 2 19.813 -5.067 -1.124
10 HD12 LEU 2 HD12 LEU 2 19.264 -3.747 -0.058
11 HD13 LEU 2 HD13 LEU 2 19.843 -3.387 -1.689
12 HD21 LEU 2 HD21 LEU 2 18.482 -3.749 -3.614
13 HD22 LEU 2 HD22 LEU 2 16.979 -4.674 -3.553
14 HD23 LEU 2 HD23 LEU 2 18.532 -5.493 -3.285
15 H GLU 3 H GLU 3 14.734 -4.172 0.000
16 HA GLU 3 HA GLU 3 13.647 -2.210 0.175
17 HB2 GLU 3 HB2 GLU 3 14.859 -2.147 2.957
18 HB3 GLU 3 HB3 GLU 3 13.412 -1.307 2.415
19 HG2 GLU 3 HG2 GLU 3 12.352 -3.521 1.913
20 HG3 GLU 3 HG3 GLU 3 13.745 -4.313 2.625
21 H HIS 4 H HIS 4 16.584 -1.915 -0.721
22 HA HIS 4 HA HIS 4 17.593 0.569 0.150
23 HB2 HIS 4 HB2 HIS 4 18.838 -1.279 -0.881
24 HB3 HIS 4 HB3 HIS 4 18.079 -0.937 -2.431
25 HD1 HIS 4 HD1 HIS 4 19.077 2.352 -1.090
26 HD2 HIS 4 HD2 HIS 4 20.830 -0.926 -3.044
27 HE1 HIS 4 HE1 HIS 4 21.094 3.267 -2.331
28 H MET 5 H MET 5 14.674 0.577 -0.956
29 HA MET 5 HA MET 5 14.714 3.250 -1.988
30 HB2 MET 5 HB2 MET 5 15.233 1.970 -4.072
31 HB3 MET 5 HB3 MET 5 13.719 1.103 -3.910
32 HG2 MET 5 HG2 MET 5 12.490 3.240 -4.102
33 HG3 MET 5 HG3 MET 5 14.022 4.128 -4.121
34 HE1 MET 5 HE1 MET 5 11.779 4.572 -6.223
35 HE2 MET 5 HE2 MET 5 13.339 5.420 -6.258
36 HE3 MET 5 HE3 MET 5 12.712 4.651 -7.731
37 H ALA 6 H ALA 6 13.666 3.143 0.115
38 HA ALA 6 HA ALA 6 11.192 1.664 0.444
39 HB1 ALA 6 HB1 ALA 6 12.626 2.076 2.369
40 HB2 ALA 6 HB2 ALA 6 12.439 3.836 2.162
41 HB3 ALA 6 HB3 ALA 6 11.032 2.836 2.581
42 H ASP 7 H ASP 7 10.292 2.536 -1.587
43 HA ASP 7 HA ASP 7 9.107 5.298 -1.303
44 HB2 ASP 7 HB2 ASP 7 10.082 3.745 -3.664
45 HB3 ASP 7 HB3 ASP 7 8.587 4.656 -3.890
46 H GLU 8 H GLU 8 8.377 1.973 -1.171
47 HA GLU 8 HA GLU 8 5.551 2.298 -1.957
48 HB2 GLU 8 HB2 GLU 8 5.358 -0.022 -1.573
49 HB3 GLU 8 HB3 GLU 8 6.770 0.249 -2.572
50 HG2 GLU 8 HG2 GLU 8 6.940 -0.171 0.458
51 HG3 GLU 8 HG3 GLU 8 6.913 -1.500 -0.673
52 H GLU 9 H GLU 9 7.326 2.947 0.826
53 HA GLU 9 HA GLU 9 4.967 2.521 2.591
54 HB2 GLU 9 HB2 GLU 9 7.859 2.732 3.481
55 HB3 GLU 9 HB3 GLU 9 6.435 2.293 4.447
56 HG2 GLU 9 HG2 GLU 9 6.118 0.373 2.692
57 HG3 GLU 9 HG3 GLU 9 7.795 0.725 2.244
58 H LYS 10 H LYS 10 5.611 4.625 0.660
59 HA LYS 10 HA LYS 10 5.683 7.084 2.332
60 HB2 LYS 10 HB2 LYS 10 6.313 6.633 -0.616
61 HB3 LYS 10 HB3 LYS 10 6.339 8.191 0.168
62 HG2 LYS 10 HG2 LYS 10 8.146 5.837 0.869
63 HG3 LYS 10 HG3 LYS 10 8.596 7.202 -0.147
64 HD2 LYS 10 HD2 LYS 10 7.876 7.339 2.802
65 HD3 LYS 10 HD3 LYS 10 9.498 7.440 2.135
66 HE2 LYS 10 HE2 LYS 10 7.251 9.394 1.437
67 HE3 LYS 10 HE3 LYS 10 8.379 9.646 2.770
68 HZ1 LYS 10 HZ1 LYS 10 9.119 10.788 0.777
69 HZ2 LYS 10 HZ2 LYS 10 9.241 9.399 -0.068
70 HZ3 LYS 10 HZ3 LYS 10 10.200 9.658 1.242
71 H LEU 11 H LEU 11 3.278 5.109 1.488
72 HA LEU 11 HA LEU 11 1.619 6.361 -0.282
73 HB2 LEU 11 HB2 LEU 11 0.961 5.026 2.379
74 HB3 LEU 11 HB3 LEU 11 -0.224 5.323 1.134
75 HG LEU 11 HG LEU 11 2.159 3.458 0.894
76 HD11 LEU 11 HD11 LEU 11 0.554 1.708 1.094
77 HD12 LEU 11 HD12 LEU 11 -0.830 2.808 0.976
78 HD13 LEU 11 HD13 LEU 11 0.214 2.830 2.411
79 HD21 LEU 11 HD21 LEU 11 -0.148 3.640 -1.077
80 HD22 LEU 11 HD22 LEU 11 1.398 2.801 -1.241
81 HD23 LEU 11 HD23 LEU 11 1.367 4.540 -1.328
82 HA PRO 12 HA PRO 12 0.268 10.153 1.536
83 HB2 PRO 12 HB2 PRO 12 -2.226 10.410 0.430
84 HB3 PRO 12 HB3 PRO 12 -0.717 10.385 -0.530
85 HG2 PRO 12 HG2 PRO 12 -2.551 8.101 0.023
86 HG3 PRO 12 HG3 PRO 12 -2.027 8.733 -1.576
87 HD2 PRO 12 HD2 PRO 12 -0.755 6.694 -0.349
88 HD3 PRO 12 HD3 PRO 12 0.179 7.948 -1.235
89 HA PRO 13 HA PRO 13 -2.059 9.326 5.147
90 HB2 PRO 13 HB2 PRO 13 -3.688 11.439 5.599
91 HB3 PRO 13 HB3 PRO 13 -1.910 11.560 5.730
92 HG2 PRO 13 HG2 PRO 13 -3.618 12.314 3.325
93 HG3 PRO 13 HG3 PRO 13 -2.331 13.286 4.114
94 HD2 PRO 13 HD2 PRO 13 -1.795 11.839 1.928
95 HD3 PRO 13 HD3 PRO 13 -0.625 11.910 3.264
96 H GLY 14 H GLY 14 -4.037 8.463 5.813
97 HA2 GLY 14 HA2 GLY 14 -6.100 7.610 5.634
98 HA3 GLY 14 HA3 GLY 14 -6.371 8.391 4.053
99 H TRP 15 H TRP 15 -3.465 6.842 3.598
100 HA TRP 15 HA TRP 15 -4.746 4.325 2.706
101 HB2 TRP 15 HB2 TRP 15 -2.373 5.847 1.635
102 HB3 TRP 15 HB3 TRP 15 -2.633 4.151 1.302
103 HD1 TRP 15 HD1 TRP 15 -4.455 7.504 0.783
104 HE1 TRP 15 HE1 TRP 15 -5.531 7.475 -1.521
105 HE3 TRP 15 HE3 TRP 15 -3.819 2.578 -0.338
106 HZ2 TRP 15 HZ2 TRP 15 -6.456 5.456 -3.407
107 HZ3 TRP 15 HZ3 TRP 15 -4.896 1.598 -2.378
108 HH2 TRP 15 HH2 TRP 15 -6.245 3.033 -3.880
109 H GLU 16 H GLU 16 -3.595 2.475 2.917
110 HA GLU 16 HA GLU 16 -1.454 2.347 5.013
111 HB2 GLU 16 HB2 GLU 16 -4.214 1.158 5.153
112 HB3 GLU 16 HB3 GLU 16 -2.866 0.254 5.829
113 HG2 GLU 16 HG2 GLU 16 -3.037 3.148 6.655
114 HG3 GLU 16 HG3 GLU 16 -4.309 2.089 7.230
115 H LYS 17 H LYS 17 0.114 1.032 4.398
116 HA LYS 17 HA LYS 17 -0.113 -0.494 1.894
117 HB2 LYS 17 HB2 LYS 17 1.867 0.865 2.856
118 HB3 LYS 17 HB3 LYS 17 2.245 -0.577 3.818
119 HG2 LYS 17 HG2 LYS 17 1.994 -0.426 0.819
120 HG3 LYS 17 HG3 LYS 17 3.515 -0.310 1.666
121 HD2 LYS 17 HD2 LYS 17 1.909 -2.797 2.154
122 HD3 LYS 17 HD3 LYS 17 2.487 -2.550 0.521
123 HE2 LYS 17 HE2 LYS 17 4.270 -2.480 2.993
124 HE3 LYS 17 HE3 LYS 17 4.019 -3.904 1.964
125 HZ1 LYS 17 HZ1 LYS 17 6.016 -2.764 1.311
126 HZ2 LYS 17 HZ2 LYS 17 5.221 -1.353 1.103
127 HZ3 LYS 17 HZ3 LYS 17 4.918 -2.612 0.095
128 H ARG 18 H ARG 18 -1.161 -2.428 1.973
129 HA ARG 18 HA ARG 18 -0.683 -4.150 4.362
130 HB2 ARG 18 HB2 ARG 18 -3.290 -3.416 2.994
131 HB3 ARG 18 HB3 ARG 18 -3.178 -4.886 3.933
132 HG2 ARG 18 HG2 ARG 18 -2.267 -2.324 5.261
133 HG3 ARG 18 HG3 ARG 18 -3.961 -2.548 5.024
134 HD2 ARG 18 HD2 ARG 18 -3.499 -3.489 7.202
135 HD3 ARG 18 HD3 ARG 18 -3.753 -4.851 6.144
136 HE ARG 18 HE ARG 18 -1.643 -5.560 6.683
137 HH11 ARG 18 HH11 ARG 18 -1.753 -2.120 7.587
138 HH12 ARG 18 HH12 ARG 18 -0.025 -1.997 7.777
139 HH21 ARG 18 HH21 ARG 18 0.594 -5.417 6.913
140 HH22 ARG 18 HH22 ARG 18 1.325 -3.960 7.450
141 H MET 19 H MET 19 -1.680 -6.385 3.847
142 HA MET 19 HA MET 19 -0.772 -7.295 1.212
143 HB2 MET 19 HB2 MET 19 0.940 -7.500 3.153
144 HB3 MET 19 HB3 MET 19 -0.097 -8.824 3.751
145 HG2 MET 19 HG2 MET 19 0.083 -9.933 1.574
146 HG3 MET 19 HG3 MET 19 0.986 -8.575 0.925
147 HE1 MET 19 HE1 MET 19 3.269 -7.746 2.595
148 HE2 MET 19 HE2 MET 19 2.877 -8.591 4.098
149 HE3 MET 19 HE3 MET 19 4.343 -9.020 3.200
150 H SER 20 H SER 20 -2.125 -8.786 0.337
151 HA SER 20 HA SER 20 -4.783 -8.986 1.361
152 HB2 SER 20 HB2 SER 20 -4.137 -9.000 -1.061
153 HB3 SER 20 HB3 SER 20 -3.374 -10.575 -0.830
154 HG SER 20 HG SER 20 -6.075 -9.882 -0.870
155 H ARG 21 H ARG 21 -5.498 -10.383 2.915
156 HA ARG 21 HA ARG 21 -3.873 -12.479 3.963
157 HB2 ARG 21 HB2 ARG 21 -5.979 -11.082 4.911
158 HB3 ARG 21 HB3 ARG 21 -6.865 -12.504 4.359
159 HG2 ARG 21 HG2 ARG 21 -5.324 -13.931 5.747
160 HG3 ARG 21 HG3 ARG 21 -4.508 -12.475 6.315
161 HD2 ARG 21 HD2 ARG 21 -7.455 -13.153 6.733
162 HD3 ARG 21 HD3 ARG 21 -6.164 -13.360 7.935
163 HE ARG 21 HE ARG 21 -6.087 -10.668 7.117
164 HH11 ARG 21 HH11 ARG 21 -8.136 -12.839 9.024
165 HH12 ARG 21 HH12 ARG 21 -9.113 -11.573 9.691
166 HH21 ARG 21 HH21 ARG 21 -6.968 -9.016 8.500
167 HH22 ARG 21 HH22 ARG 21 -8.274 -9.403 9.575
168 H SER 22 H SER 22 -5.588 -12.397 1.062
169 HA SER 22 HA SER 22 -6.687 -15.031 0.869
170 HB2 SER 22 HB2 SER 22 -7.360 -13.027 -0.453
171 HB3 SER 22 HB3 SER 22 -5.762 -12.983 -1.205
172 HG SER 22 HG SER 22 -6.424 -14.332 -2.583
173 H SER 23 H SER 23 -3.697 -13.548 -0.541
174 HA SER 23 HA SER 23 -2.399 -16.234 -0.512
175 HB2 SER 23 HB2 SER 23 -2.185 -14.246 -2.793
176 HB3 SER 23 HB3 SER 23 -1.582 -15.908 -2.723
177 HG SER 23 HG SER 23 -4.144 -14.935 -3.188
178 H GLY 24 H GLY 24 -2.104 -13.120 0.739
179 HA2 GLY 24 HA2 GLY 24 -0.368 -12.142 1.832
180 HA3 GLY 24 HA3 GLY 24 0.686 -13.496 1.374
181 H ARG 25 H ARG 25 -1.286 -11.083 -0.492
182 HA ARG 25 HA ARG 25 1.134 -10.510 -2.155
183 HB2 ARG 25 HB2 ARG 25 -1.675 -11.248 -2.786
184 HB3 ARG 25 HB3 ARG 25 -1.092 -9.858 -3.656
185 HG2 ARG 25 HG2 ARG 25 -0.759 -12.021 -4.824
186 HG3 ARG 25 HG3 ARG 25 0.738 -11.098 -4.632
187 HD2 ARG 25 HD2 ARG 25 1.574 -12.599 -2.954
188 HD3 ARG 25 HD3 ARG 25 -0.013 -13.377 -2.777
189 HE ARG 25 HE ARG 25 1.387 -13.487 -5.403
190 HH11 ARG 25 HH11 ARG 25 1.027 -15.231 -2.327
191 HH12 ARG 25 HH12 ARG 25 1.052 -16.799 -3.027
192 HH21 ARG 25 HH21 ARG 25 1.284 -15.661 -6.401
193 HH22 ARG 25 HH22 ARG 25 1.250 -17.016 -5.339
194 H VAL 26 H VAL 26 1.903 -8.539 -2.048
195 HA VAL 26 HA VAL 26 0.847 -6.619 -0.239
196 HB VAL 26 HB VAL 26 3.064 -6.314 -2.295
197 HG11 VAL 26 HG11 VAL 26 2.475 -4.938 0.367
198 HG12 VAL 26 HG12 VAL 26 3.976 -4.741 -0.570
199 HG13 VAL 26 HG13 VAL 26 2.447 -4.182 -1.248
200 HG21 VAL 26 HG21 VAL 26 3.596 -8.285 -0.973
201 HG22 VAL 26 HG22 VAL 26 4.557 -6.953 -0.343
202 HG23 VAL 26 HG23 VAL 26 3.093 -7.458 0.520
203 H TYR 27 H TYR 27 -0.271 -4.754 -0.463
204 HA TYR 27 HA TYR 27 -0.678 -3.476 -3.022
205 HB2 TYR 27 HB2 TYR 27 -3.016 -3.763 -3.209
206 HB3 TYR 27 HB3 TYR 27 -2.380 -5.380 -2.999
207 HD1 TYR 27 HD1 TYR 27 -2.387 -6.303 -0.480
208 HD2 TYR 27 HD2 TYR 27 -4.817 -3.055 -1.921
209 HE1 TYR 27 HE1 TYR 27 -3.861 -6.513 1.515
210 HE2 TYR 27 HE2 TYR 27 -6.265 -3.272 0.107
211 HH TYR 27 HH TYR 27 -5.699 -5.546 2.747
212 H TYR 28 H TYR 28 -2.572 -1.614 -2.452
213 HA TYR 28 HA TYR 28 -1.792 -0.404 0.140
214 HB2 TYR 28 HB2 TYR 28 -2.559 1.023 -2.426
215 HB3 TYR 28 HB3 TYR 28 -1.851 1.707 -0.976
216 HD1 TYR 28 HD2 TYR 28 0.375 0.185 -0.305
217 HD2 TYR 28 HD1 TYR 28 -1.019 1.060 -4.248
218 HE1 TYR 28 HE2 TYR 28 2.737 0.137 -1.107
219 HE2 TYR 28 HE1 TYR 28 1.303 0.817 -5.121
220 HH TYR 28 HH TYR 28 3.979 -0.281 -3.072
221 H PHE 29 H PHE 29 -3.486 0.416 1.394
222 HA PHE 29 HA PHE 29 -6.264 0.078 0.343
223 HB2 PHE 29 HB2 PHE 29 -5.881 -1.864 1.691
224 HB3 PHE 29 HB3 PHE 29 -5.048 -0.930 2.914
225 HD1 PHE 29 HD2 PHE 29 -8.445 -0.170 1.344
226 HD2 PHE 29 HD1 PHE 29 -6.227 -1.331 4.876
227 HE1 PHE 29 HE2 PHE 29 -10.426 0.213 2.720
228 HE2 PHE 29 HE1 PHE 29 -8.264 -0.974 6.235
229 HZ PHE 29 HZ PHE 29 -10.369 -0.196 5.166
230 H ASN 30 H ASN 30 -7.300 1.927 0.353
231 HA ASN 30 HA ASN 30 -6.629 4.115 2.139
232 HB2 ASN 30 HB2 ASN 30 -7.167 4.220 -0.348
233 HB3 ASN 30 HB3 ASN 30 -8.820 3.966 0.069
234 HD21 ASN 30 HD21 ASN 30 -7.251 6.613 -0.711
235 HD22 ASN 30 HD22 ASN 30 -8.214 7.714 0.256
236 H HIS 31 H HIS 31 -7.435 3.905 4.149
237 HA HIS 31 HA HIS 31 -10.002 2.536 4.651
238 HB2 HIS 31 HB2 HIS 31 -9.358 2.773 7.033
239 HB3 HIS 31 HB3 HIS 31 -8.207 1.884 6.050
240 HD1 HIS 31 HD1 HIS 31 -8.472 5.101 8.084
241 HD2 HIS 31 HD2 HIS 31 -5.795 3.104 5.493
242 HE1 HIS 31 HE1 HIS 31 -6.243 6.286 8.262
243 H ILE 32 H ILE 32 -9.223 5.639 3.742
244 HA ILE 32 HA ILE 32 -11.118 7.074 5.487
245 HB ILE 32 HB ILE 32 -8.884 7.680 3.600
246 HG12 ILE 32 HG12 ILE 32 -8.331 9.394 5.135
247 HG13 ILE 32 HG13 ILE 32 -9.890 9.290 5.959
248 HG21 ILE 32 HG21 ILE 32 -10.530 8.853 2.281
249 HG22 ILE 32 HG22 ILE 32 -11.159 9.668 3.740
250 HG23 ILE 32 HG23 ILE 32 -9.524 9.996 3.155
251 HD11 ILE 32 HD11 ILE 32 -9.347 7.205 6.953
252 HD12 ILE 32 HD12 ILE 32 -8.034 6.902 5.820
253 HD13 ILE 32 HD13 ILE 32 -7.856 8.167 7.060
254 H THR 33 H THR 33 -10.833 5.831 2.173
255 HA THR 33 HA THR 33 -13.718 6.496 1.730
256 HB THR 33 HB THR 33 -11.874 7.874 0.591
257 HG1 THR 33 HG1 THR 33 -13.617 6.792 -1.299
258 HG21 THR 33 HG21 THR 33 -10.937 7.011 -1.438
259 HG22 THR 33 HG22 THR 33 -11.822 5.490 -1.271
260 HG23 THR 33 HG23 THR 33 -10.547 5.881 -0.116
261 H ASN 34 H ASN 34 -11.625 3.907 2.194
262 HA ASN 34 HA ASN 34 -11.800 1.710 1.955
263 HB2 ASN 34 HB2 ASN 34 -14.133 2.274 2.675
264 HB3 ASN 34 HB3 ASN 34 -14.645 2.065 1.006
265 HD21 ASN 34 HD21 ASN 34 -15.975 0.205 1.470
266 HD22 ASN 34 HD22 ASN 34 -15.234 -1.325 1.902
267 H ALA 35 H ALA 35 -10.547 2.991 -0.002
268 HA ALA 35 HA ALA 35 -11.160 1.465 -2.498
269 HB1 ALA 35 HB1 ALA 35 -11.417 3.876 -2.718
270 HB2 ALA 35 HB2 ALA 35 -9.768 4.149 -2.078
271 HB3 ALA 35 HB3 ALA 35 -9.996 3.325 -3.639
272 H SER 36 H SER 36 -9.699 -0.061 -2.877
273 HA SER 36 HA SER 36 -6.885 0.212 -1.960
274 HB2 SER 36 HB2 SER 36 -6.992 -2.300 -1.564
275 HB3 SER 36 HB3 SER 36 -7.719 -1.255 -0.328
276 HG SER 36 HG SER 36 -9.726 -1.763 -1.091
277 H GLN 37 H GLN 37 -5.276 -0.494 -3.289
278 HA GLN 37 HA GLN 37 -5.643 -2.404 -5.310
279 HB2 GLN 37 HB2 GLN 37 -5.094 -0.753 -7.202
280 HB3 GLN 37 HB3 GLN 37 -6.739 -0.858 -6.624
281 HG2 GLN 37 HG2 GLN 37 -6.431 1.254 -5.331
282 HG3 GLN 37 HG3 GLN 37 -4.770 1.360 -5.929
283 HE21 GLN 37 HE21 GLN 37 -5.507 3.569 -6.838
284 HE22 GLN 37 HE22 GLN 37 -6.389 3.536 -8.331
285 H TRP 38 H TRP 38 -3.607 -2.589 -6.630
286 HA TRP 38 HA TRP 38 -1.252 -2.051 -4.911
287 HB2 TRP 38 HB2 TRP 38 -0.156 -3.257 -6.983
288 HB3 TRP 38 HB3 TRP 38 -1.038 -4.181 -5.762
289 HD1 TRP 38 HD1 TRP 38 -1.711 -2.579 -9.209
290 HE1 TRP 38 HE1 TRP 38 -3.688 -3.711 -10.295
291 HE3 TRP 38 HE3 TRP 38 -2.781 -5.993 -5.555
292 HZ2 TRP 38 HZ2 TRP 38 -5.347 -6.076 -9.816
293 HZ3 TRP 38 HZ3 TRP 38 -4.620 -7.624 -5.866
294 HH2 TRP 38 HH2 TRP 38 -5.922 -7.660 -7.981
295 H GLU 39 H GLU 39 -3.015 -0.421 -7.329
296 HA GLU 39 HA GLU 39 -0.855 0.786 -8.806
297 HB2 GLU 39 HB2 GLU 39 -3.321 0.650 -9.514
298 HB3 GLU 39 HB3 GLU 39 -3.675 1.862 -8.299
299 HG2 GLU 39 HG2 GLU 39 -2.054 3.422 -9.393
300 HG3 GLU 39 HG3 GLU 39 -1.742 2.205 -10.634
301 H ARG 40 H ARG 40 0.611 2.192 -7.773
302 HA ARG 40 HA ARG 40 0.347 2.975 -5.142
303 HB2 ARG 40 HB2 ARG 40 2.305 2.873 -6.844
304 HB3 ARG 40 HB3 ARG 40 1.926 4.564 -7.180
305 HG2 ARG 40 HG2 ARG 40 2.440 5.160 -4.863
306 HG3 ARG 40 HG3 ARG 40 2.489 3.442 -4.392
307 HD2 ARG 40 HD2 ARG 40 4.769 3.992 -4.664
308 HD3 ARG 40 HD3 ARG 40 4.305 3.130 -6.144
309 HE ARG 40 HE ARG 40 4.447 5.107 -7.402
310 HH11 ARG 40 HH11 ARG 40 5.183 5.850 -3.982
311 HH12 ARG 40 HH12 ARG 40 6.144 7.233 -4.419
312 HH21 ARG 40 HH21 ARG 40 5.361 7.116 -7.838
313 HH22 ARG 40 HH22 ARG 40 6.073 8.078 -6.595
314 HA PRO 41 HA PRO 41 -2.768 6.164 -5.549
315 HB2 PRO 41 HB2 PRO 41 -2.726 7.217 -3.007
316 HB3 PRO 41 HB3 PRO 41 -3.430 5.644 -3.456
317 HG2 PRO 41 HG2 PRO 41 -0.610 6.112 -2.372
318 HG3 PRO 41 HG3 PRO 41 -1.879 5.051 -1.713
319 HD2 PRO 41 HD2 PRO 41 0.057 4.178 -3.427
320 HD3 PRO 41 HD3 PRO 41 -1.620 3.581 -3.639
321 H SER 42 H SER 42 -2.977 8.616 -4.773
322 HA SER 42 HA SER 42 -0.467 10.111 -5.190
323 HB2 SER 42 HB2 SER 42 -1.393 9.633 -7.431
324 HB3 SER 42 HB3 SER 42 -2.948 10.305 -6.953
325 HG SER 42 HG SER 42 -2.243 12.225 -7.259
326 H GLY 43 H GLY 43 -1.006 10.439 -2.805
327 HA2 GLY 43 HA2 GLY 43 -2.848 12.799 -2.560
328 HA3 GLY 43 HA3 GLY 43 -2.888 11.500 -1.389
Start of MODEL 18
1 H1 GLY 1 H GLY 1 14.374 -7.429 7.426
2 HA2 GLY 1 HA2 GLY 1 12.582 -7.462 5.679
3 HA3 GLY 1 HA3 GLY 1 12.930 -5.857 6.339
4 H LEU 2 H LEU 2 12.427 -4.655 4.618
5 HA LEU 2 HA LEU 2 13.957 -4.926 2.059
6 HB2 LEU 2 HB2 LEU 2 11.116 -4.072 2.690
7 HB3 LEU 2 HB3 LEU 2 11.949 -3.403 1.293
8 HG LEU 2 HG LEU 2 12.239 -5.540 0.250
9 HD11 LEU 2 HD11 LEU 2 10.848 -6.748 2.681
10 HD12 LEU 2 HD12 LEU 2 12.481 -7.122 2.073
11 HD13 LEU 2 HD13 LEU 2 11.074 -7.584 1.126
12 HD21 LEU 2 HD21 LEU 2 10.117 -4.262 -0.042
13 HD22 LEU 2 HD22 LEU 2 9.381 -5.199 1.267
14 HD23 LEU 2 HD23 LEU 2 9.876 -6.004 -0.235
15 H GLU 3 H GLU 3 15.308 -3.997 4.073
16 HA GLU 3 HA GLU 3 15.311 -1.520 5.138
17 HB2 GLU 3 HB2 GLU 3 17.568 -3.165 3.978
18 HB3 GLU 3 HB3 GLU 3 17.864 -1.607 4.745
19 HG2 GLU 3 HG2 GLU 3 18.327 -3.196 6.381
20 HG3 GLU 3 HG3 GLU 3 16.792 -2.469 6.846
21 H HIS 4 H HIS 4 16.898 -2.172 2.001
22 HA HIS 4 HA HIS 4 17.359 0.560 1.365
23 HB2 HIS 4 HB2 HIS 4 17.403 -1.962 -0.324
24 HB3 HIS 4 HB3 HIS 4 17.898 -0.383 -0.916
25 HD1 HIS 4 HD1 HIS 4 19.737 0.738 1.237
26 HD2 HIS 4 HD2 HIS 4 19.666 -3.264 -0.094
27 HE1 HIS 4 HE1 HIS 4 22.009 -0.241 1.810
28 H MET 5 H MET 5 15.184 -1.659 -0.499
29 HA MET 5 HA MET 5 13.954 0.676 -1.759
30 HB2 MET 5 HB2 MET 5 13.304 -2.257 -2.034
31 HB3 MET 5 HB3 MET 5 12.606 -0.971 -2.997
32 HG2 MET 5 HG2 MET 5 14.865 -0.214 -3.702
33 HG3 MET 5 HG3 MET 5 15.567 -1.623 -2.906
34 HE1 MET 5 HE1 MET 5 15.080 -1.513 -7.165
35 HE2 MET 5 HE2 MET 5 14.634 -0.126 -6.151
36 HE3 MET 5 HE3 MET 5 16.222 -0.894 -5.961
37 H ALA 6 H ALA 6 13.370 1.546 0.361
38 HA ALA 6 HA ALA 6 10.922 0.475 1.590
39 HB1 ALA 6 HB1 ALA 6 11.336 2.123 3.272
40 HB2 ALA 6 HB2 ALA 6 12.894 1.375 2.875
41 HB3 ALA 6 HB3 ALA 6 12.510 2.988 2.250
42 H ASP 7 H ASP 7 9.212 0.835 0.132
43 HA ASP 7 HA ASP 7 8.774 3.664 -0.749
44 HB2 ASP 7 HB2 ASP 7 7.456 2.751 -2.608
45 HB3 ASP 7 HB3 ASP 7 9.173 2.452 -2.671
46 H GLU 8 H GLU 8 7.698 1.328 1.389
47 HA GLU 8 HA GLU 8 4.894 1.561 1.201
48 HB2 GLU 8 HB2 GLU 8 4.918 0.819 3.536
49 HB3 GLU 8 HB3 GLU 8 6.086 -0.073 2.562
50 HG2 GLU 8 HG2 GLU 8 7.856 1.634 3.462
51 HG3 GLU 8 HG3 GLU 8 6.628 2.057 4.654
52 H GLU 9 H GLU 9 7.283 3.766 2.400
53 HA GLU 9 HA GLU 9 5.500 5.585 3.772
54 HB2 GLU 9 HB2 GLU 9 8.427 5.418 3.012
55 HB3 GLU 9 HB3 GLU 9 7.848 6.942 3.619
56 HG2 GLU 9 HG2 GLU 9 7.455 4.326 5.151
57 HG3 GLU 9 HG3 GLU 9 8.881 5.344 5.328
58 H LYS 10 H LYS 10 5.861 5.149 0.679
59 HA LYS 10 HA LYS 10 5.830 8.013 -0.128
60 HB2 LYS 10 HB2 LYS 10 5.829 5.480 -1.783
61 HB3 LYS 10 HB3 LYS 10 5.524 7.075 -2.474
62 HG2 LYS 10 HG2 LYS 10 7.619 7.932 -1.703
63 HG3 LYS 10 HG3 LYS 10 8.000 6.445 -0.817
64 HD2 LYS 10 HD2 LYS 10 9.204 6.660 -2.994
65 HD3 LYS 10 HD3 LYS 10 8.216 5.189 -2.867
66 HE2 LYS 10 HE2 LYS 10 6.437 6.195 -4.195
67 HE3 LYS 10 HE3 LYS 10 7.283 7.750 -4.247
68 HZ1 LYS 10 HZ1 LYS 10 8.547 5.311 -5.298
69 HZ2 LYS 10 HZ2 LYS 10 8.868 6.882 -5.652
70 HZ3 LYS 10 HZ3 LYS 10 7.462 6.169 -6.192
71 H LEU 11 H LEU 11 3.365 5.623 0.479
72 HA LEU 11 HA LEU 11 1.335 6.752 -1.115
73 HB2 LEU 11 HB2 LEU 11 1.093 5.434 1.629
74 HB3 LEU 11 HB3 LEU 11 -0.210 5.656 0.484
75 HG LEU 11 HG LEU 11 2.180 3.869 0.108
76 HD11 LEU 11 HD11 LEU 11 0.728 2.057 0.425
77 HD12 LEU 11 HD12 LEU 11 -0.731 3.012 0.304
78 HD13 LEU 11 HD13 LEU 11 0.336 3.185 1.724
79 HD21 LEU 11 HD21 LEU 11 1.130 4.907 -2.077
80 HD22 LEU 11 HD22 LEU 11 -0.240 3.828 -1.721
81 HD23 LEU 11 HD23 LEU 11 1.380 3.178 -1.959
82 HA PRO 12 HA PRO 12 0.355 10.530 0.997
83 HB2 PRO 12 HB2 PRO 12 -2.304 10.819 0.288
84 HB3 PRO 12 HB3 PRO 12 -0.966 10.962 -0.901
85 HG2 PRO 12 HG2 PRO 12 -2.697 8.604 -0.216
86 HG3 PRO 12 HG3 PRO 12 -2.359 9.211 -1.848
87 HD2 PRO 12 HD2 PRO 12 -1.050 7.132 -0.772
88 HD3 PRO 12 HD3 PRO 12 -0.187 8.323 -1.808
89 HA PRO 13 HA PRO 13 -1.425 9.678 4.965
90 HB2 PRO 13 HB2 PRO 13 -3.100 11.816 5.526
91 HB3 PRO 13 HB3 PRO 13 -1.317 11.887 5.588
92 HG2 PRO 13 HG2 PRO 13 -3.125 12.672 3.274
93 HG3 PRO 13 HG3 PRO 13 -1.805 13.629 4.000
94 HD2 PRO 13 HD2 PRO 13 -1.342 12.218 1.784
95 HD3 PRO 13 HD3 PRO 13 -0.139 12.142 3.104
96 H GLY 14 H GLY 14 -2.872 8.112 5.344
97 HA2 GLY 14 HA2 GLY 14 -5.143 7.515 5.745
98 HA3 GLY 14 HA3 GLY 14 -5.643 8.279 4.232
99 H TRP 15 H TRP 15 -2.865 6.880 3.250
100 HA TRP 15 HA TRP 15 -4.197 4.282 2.597
101 HB2 TRP 15 HB2 TRP 15 -2.147 5.919 1.157
102 HB3 TRP 15 HB3 TRP 15 -2.378 4.210 0.833
103 HD1 TRP 15 HD1 TRP 15 -4.217 7.563 0.604
104 HE1 TRP 15 HE1 TRP 15 -5.908 7.525 -1.320
105 HE3 TRP 15 HE3 TRP 15 -3.989 2.620 -0.524
106 HZ2 TRP 15 HZ2 TRP 15 -7.137 5.556 -3.008
107 HZ3 TRP 15 HZ3 TRP 15 -5.511 1.649 -2.229
108 HH2 TRP 15 HH2 TRP 15 -7.135 3.109 -3.443
109 H GLU 16 H GLU 16 -2.966 2.415 2.636
110 HA GLU 16 HA GLU 16 -0.451 2.400 4.249
111 HB2 GLU 16 HB2 GLU 16 -2.982 0.754 4.611
112 HB3 GLU 16 HB3 GLU 16 -1.438 0.304 5.297
113 HG2 GLU 16 HG2 GLU 16 -2.308 3.089 5.934
114 HG3 GLU 16 HG3 GLU 16 -3.320 1.781 6.558
115 H LYS 17 H LYS 17 1.001 1.171 3.360
116 HA LYS 17 HA LYS 17 0.436 -0.395 0.914
117 HB2 LYS 17 HB2 LYS 17 2.424 1.188 1.477
118 HB3 LYS 17 HB3 LYS 17 3.173 -0.223 2.237
119 HG2 LYS 17 HG2 LYS 17 2.049 -0.193 -0.574
120 HG3 LYS 17 HG3 LYS 17 3.697 0.340 -0.278
121 HD2 LYS 17 HD2 LYS 17 2.590 -2.426 0.304
122 HD3 LYS 17 HD3 LYS 17 3.401 -1.979 -1.199
123 HE2 LYS 17 HE2 LYS 17 4.732 -1.419 1.453
124 HE3 LYS 17 HE3 LYS 17 4.754 -3.062 0.816
125 HZ1 LYS 17 HZ1 LYS 17 5.857 -0.802 -0.777
126 HZ2 LYS 17 HZ2 LYS 17 6.057 -2.424 -0.978
127 HZ3 LYS 17 HZ3 LYS 17 6.716 -1.681 0.288
128 H ARG 18 H ARG 18 -0.460 -2.349 1.241
129 HA ARG 18 HA ARG 18 0.546 -4.024 3.502
130 HB2 ARG 18 HB2 ARG 18 -2.287 -3.682 2.478
131 HB3 ARG 18 HB3 ARG 18 -1.803 -4.780 3.773
132 HG2 ARG 18 HG2 ARG 18 -1.397 -1.750 3.972
133 HG3 ARG 18 HG3 ARG 18 -2.868 -2.526 4.423
134 HD2 ARG 18 HD2 ARG 18 -1.513 -4.000 6.025
135 HD3 ARG 18 HD3 ARG 18 -0.117 -2.983 5.630
136 HE ARG 18 HE ARG 18 -0.869 -1.427 7.079
137 HH11 ARG 18 HH11 ARG 18 -3.633 -3.522 6.289
138 HH12 ARG 18 HH12 ARG 18 -4.672 -2.791 7.446
139 HH21 ARG 18 HH21 ARG 18 -2.444 -0.188 8.313
140 HH22 ARG 18 HH22 ARG 18 -4.082 -0.717 8.420
141 H MET 19 H MET 19 -0.404 -6.390 3.125
142 HA MET 19 HA MET 19 -0.005 -7.178 0.307
143 HB2 MET 19 HB2 MET 19 2.049 -7.469 1.791
144 HB3 MET 19 HB3 MET 19 1.099 -8.689 2.693
145 HG2 MET 19 HG2 MET 19 0.719 -9.851 0.507
146 HG3 MET 19 HG3 MET 19 1.864 -8.736 -0.237
147 HE1 MET 19 HE1 MET 19 4.384 -8.461 0.710
148 HE2 MET 19 HE2 MET 19 3.934 -8.564 2.424
149 HE3 MET 19 HE3 MET 19 5.178 -9.646 1.763
150 H SER 20 H SER 20 -1.477 -8.718 -0.364
151 HA SER 20 HA SER 20 -3.826 -9.036 1.190
152 HB2 SER 20 HB2 SER 20 -3.797 -9.047 -1.263
153 HB3 SER 20 HB3 SER 20 -2.869 -10.522 -1.252
154 HG SER 20 HG SER 20 -5.407 -10.403 -1.380
155 H ARG 21 H ARG 21 -4.239 -10.313 2.801
156 HA ARG 21 HA ARG 21 -2.351 -12.223 3.801
157 HB2 ARG 21 HB2 ARG 21 -3.970 -10.772 5.100
158 HB3 ARG 21 HB3 ARG 21 -5.266 -11.806 4.547
159 HG2 ARG 21 HG2 ARG 21 -4.656 -12.321 6.819
160 HG3 ARG 21 HG3 ARG 21 -4.290 -13.708 5.806
161 HD2 ARG 21 HD2 ARG 21 -1.909 -13.141 5.806
162 HD3 ARG 21 HD3 ARG 21 -2.224 -11.626 6.651
163 HE ARG 21 HE ARG 21 -2.201 -14.362 7.790
164 HH11 ARG 21 HH11 ARG 21 -2.697 -10.906 8.442
165 HH12 ARG 21 HH12 ARG 21 -3.282 -11.166 10.052
166 HH21 ARG 21 HH21 ARG 21 -2.421 -14.636 9.954
167 HH22 ARG 21 HH22 ARG 21 -2.668 -13.288 11.055
168 H SER 22 H SER 22 -4.535 -12.489 1.209
169 HA SER 22 HA SER 22 -5.470 -15.168 1.551
170 HB2 SER 22 HB2 SER 22 -5.052 -13.721 -1.101
171 HB3 SER 22 HB3 SER 22 -6.271 -14.934 -0.684
172 HG SER 22 HG SER 22 -6.166 -12.195 -0.171
173 H SER 23 H SER 23 -2.837 -13.857 -0.635
174 HA SER 23 HA SER 23 -1.426 -16.445 -0.280
175 HB2 SER 23 HB2 SER 23 -0.926 -16.627 -2.619
176 HB3 SER 23 HB3 SER 23 -2.669 -16.625 -2.371
177 HG SER 23 HG SER 23 -2.114 -15.343 -4.132
178 H GLY 24 H GLY 24 -1.218 -12.916 -0.718
179 HA2 GLY 24 HA2 GLY 24 0.731 -12.013 0.488
180 HA3 GLY 24 HA3 GLY 24 1.744 -13.134 -0.398
181 H ARG 25 H ARG 25 -1.008 -11.199 -1.891
182 HA ARG 25 HA ARG 25 1.048 -10.136 -3.752
183 HB2 ARG 25 HB2 ARG 25 -1.914 -10.524 -3.785
184 HB3 ARG 25 HB3 ARG 25 -1.301 -9.138 -4.675
185 HG2 ARG 25 HG2 ARG 25 -0.150 -11.939 -5.051
186 HG3 ARG 25 HG3 ARG 25 -1.547 -11.364 -5.972
187 HD2 ARG 25 HD2 ARG 25 -0.317 -9.578 -6.971
188 HD3 ARG 25 HD3 ARG 25 1.058 -9.796 -5.886
189 HE ARG 25 HE ARG 25 0.788 -12.218 -7.281
190 HH11 ARG 25 HH11 ARG 25 1.533 -8.800 -8.006
191 HH12 ARG 25 HH12 ARG 25 2.680 -9.185 -9.241
192 HH21 ARG 25 HH21 ARG 25 2.193 -12.702 -8.972
193 HH22 ARG 25 HH22 ARG 25 3.028 -11.452 -9.843
194 H VAL 26 H VAL 26 1.910 -8.133 -3.508
195 HA VAL 26 HA VAL 26 1.086 -6.501 -1.271
196 HB VAL 26 HB VAL 26 3.058 -6.018 -3.538
197 HG11 VAL 26 HG11 VAL 26 2.439 -3.885 -2.425
198 HG12 VAL 26 HG12 VAL 26 2.768 -4.622 -0.837
199 HG13 VAL 26 HG13 VAL 26 4.086 -4.367 -2.004
200 HG21 VAL 26 HG21 VAL 26 4.732 -6.636 -1.805
201 HG22 VAL 26 HG22 VAL 26 3.437 -7.011 -0.670
202 HG23 VAL 26 HG23 VAL 26 3.664 -7.995 -2.135
203 H TYR 27 H TYR 27 -0.095 -4.585 -1.259
204 HA TYR 27 HA TYR 27 -0.878 -3.256 -3.700
205 HB2 TYR 27 HB2 TYR 27 -3.223 -3.577 -3.606
206 HB3 TYR 27 HB3 TYR 27 -2.515 -5.169 -3.646
207 HD1 TYR 27 HD1 TYR 27 -2.172 -6.326 -1.258
208 HD2 TYR 27 HD2 TYR 27 -4.907 -3.112 -2.069
209 HE1 TYR 27 HE1 TYR 27 -3.462 -6.917 0.780
210 HE2 TYR 27 HE2 TYR 27 -6.167 -3.704 0.058
211 HH TYR 27 HH TYR 27 -5.597 -6.600 1.875
212 H TYR 28 H TYR 28 -2.585 -1.464 -3.026
213 HA TYR 28 HA TYR 28 -1.593 -0.209 -0.513
214 HB2 TYR 28 HB2 TYR 28 -2.951 1.046 -2.909
215 HB3 TYR 28 HB3 TYR 28 -2.109 1.878 -1.613
216 HD1 TYR 28 HD2 TYR 28 0.328 0.841 -1.228
217 HD2 TYR 28 HD1 TYR 28 -1.711 1.019 -4.975
218 HE1 TYR 28 HE2 TYR 28 2.528 0.855 -2.350
219 HE2 TYR 28 HE1 TYR 28 0.493 0.905 -6.170
220 HH TYR 28 HH TYR 28 3.580 0.927 -4.366
221 H PHE 29 H PHE 29 -3.080 0.444 1.026
222 HA PHE 29 HA PHE 29 -5.984 0.019 0.432
223 HB2 PHE 29 HB2 PHE 29 -5.408 -2.002 1.523
224 HB3 PHE 29 HB3 PHE 29 -4.342 -1.175 2.645
225 HD1 PHE 29 HD2 PHE 29 -7.986 -0.183 1.935
226 HD2 PHE 29 HD1 PHE 29 -5.122 -1.922 4.685
227 HE1 PHE 29 HE2 PHE 29 -9.599 -0.026 3.749
228 HE2 PHE 29 HE1 PHE 29 -6.826 -1.834 6.483
229 HZ PHE 29 HZ PHE 29 -9.064 -0.861 6.021
230 H ASN 30 H ASN 30 -7.126 1.740 0.829
231 HA ASN 30 HA ASN 30 -6.131 3.846 2.568
232 HB2 ASN 30 HB2 ASN 30 -7.125 4.158 0.184
233 HB3 ASN 30 HB3 ASN 30 -8.651 3.891 0.909
234 HD21 ASN 30 HD21 ASN 30 -6.533 6.507 0.467
235 HD22 ASN 30 HD22 ASN 30 -7.324 7.570 1.610
236 H HIS 31 H HIS 31 -6.550 3.495 4.645
237 HA HIS 31 HA HIS 31 -8.944 2.076 5.583
238 HB2 HIS 31 HB2 HIS 31 -7.872 2.346 7.793
239 HB3 HIS 31 HB3 HIS 31 -6.823 1.573 6.615
240 HD1 HIS 31 HD1 HIS 31 -6.895 4.558 8.944
241 HD2 HIS 31 HD2 HIS 31 -4.797 3.213 5.530
242 HE1 HIS 31 HE1 HIS 31 -4.819 5.997 8.739
243 H ILE 32 H ILE 32 -8.334 5.253 4.647
244 HA ILE 32 HA ILE 32 -9.907 6.634 6.686
245 HB ILE 32 HB ILE 32 -7.927 7.203 4.563
246 HG12 ILE 32 HG12 ILE 32 -7.266 9.012 5.970
247 HG13 ILE 32 HG13 ILE 32 -8.751 8.907 6.922
248 HG21 ILE 32 HG21 ILE 32 -10.143 9.241 4.735
249 HG22 ILE 32 HG22 ILE 32 -8.540 9.473 4.002
250 HG23 ILE 32 HG23 ILE 32 -9.646 8.305 3.312
251 HD11 ILE 32 HD11 ILE 32 -6.827 6.582 6.676
252 HD12 ILE 32 HD12 ILE 32 -6.603 7.850 7.889
253 HD13 ILE 32 HD13 ILE 32 -8.060 6.843 7.928
254 H THR 33 H THR 33 -10.208 5.548 3.341
255 HA THR 33 HA THR 33 -13.098 6.287 3.355
256 HB THR 33 HB THR 33 -11.465 7.669 1.965
257 HG1 THR 33 HG1 THR 33 -13.630 6.334 0.763
258 HG21 THR 33 HG21 THR 33 -11.617 5.436 -0.049
259 HG22 THR 33 HG22 THR 33 -10.249 5.629 1.049
260 HG23 THR 33 HG23 THR 33 -10.643 6.923 -0.088
261 H ASN 34 H ASN 34 -11.070 3.610 3.431
262 HA ASN 34 HA ASN 34 -11.315 1.449 3.039
263 HB2 ASN 34 HB2 ASN 34 -13.477 1.997 4.140
264 HB3 ASN 34 HB3 ASN 34 -14.269 1.974 2.567
265 HD21 ASN 34 HD21 ASN 34 -15.447 0.048 2.489
266 HD22 ASN 34 HD22 ASN 34 -14.712 -1.531 2.735
267 H ALA 35 H ALA 35 -10.289 2.776 0.995
268 HA ALA 35 HA ALA 35 -11.319 1.320 -1.416
269 HB1 ALA 35 HB1 ALA 35 -9.965 4.036 -1.216
270 HB2 ALA 35 HB2 ALA 35 -10.413 3.208 -2.722
271 HB3 ALA 35 HB3 ALA 35 -11.680 3.724 -1.575
272 H SER 36 H SER 36 -9.870 -0.137 -2.085
273 HA SER 36 HA SER 36 -6.978 0.233 -1.632
274 HB2 SER 36 HB2 SER 36 -6.684 -1.992 -0.873
275 HB3 SER 36 HB3 SER 36 -7.813 -1.158 0.171
276 HG SER 36 HG SER 36 -9.528 -2.260 -0.979
277 H GLN 37 H GLN 37 -5.568 -0.356 -3.283
278 HA GLN 37 HA GLN 37 -6.342 -2.309 -5.257
279 HB2 GLN 37 HB2 GLN 37 -6.150 -0.631 -7.170
280 HB3 GLN 37 HB3 GLN 37 -7.623 -0.655 -6.255
281 HG2 GLN 37 HG2 GLN 37 -6.197 1.387 -4.968
282 HG3 GLN 37 HG3 GLN 37 -5.679 1.544 -6.633
283 HE21 GLN 37 HE21 GLN 37 -7.212 2.659 -8.101
284 HE22 GLN 37 HE22 GLN 37 -8.851 2.948 -7.576
285 H TRP 38 H TRP 38 -4.664 -2.494 -6.929
286 HA TRP 38 HA TRP 38 -1.976 -2.360 -5.796
287 HB2 TRP 38 HB2 TRP 38 -1.449 -3.228 -8.171
288 HB3 TRP 38 HB3 TRP 38 -2.348 -4.276 -7.081
289 HD1 TRP 38 HD1 TRP 38 -3.323 -1.733 -9.925
290 HE1 TRP 38 HE1 TRP 38 -5.478 -2.533 -11.023
291 HE3 TRP 38 HE3 TRP 38 -3.944 -6.101 -7.350
292 HZ2 TRP 38 HZ2 TRP 38 -7.153 -4.912 -10.956
293 HZ3 TRP 38 HZ3 TRP 38 -5.810 -7.635 -7.899
294 HH2 TRP 38 HH2 TRP 38 -7.395 -7.064 -9.701
295 H GLU 39 H GLU 39 -3.965 -0.398 -7.768
296 HA GLU 39 HA GLU 39 -1.985 0.948 -9.379
297 HB2 GLU 39 HB2 GLU 39 -4.269 0.585 -10.128
298 HB3 GLU 39 HB3 GLU 39 -4.911 1.369 -8.691
299 HG2 GLU 39 HG2 GLU 39 -3.769 3.524 -9.469
300 HG3 GLU 39 HG3 GLU 39 -3.391 2.672 -10.966
301 H ARG 40 H ARG 40 -0.547 2.253 -8.422
302 HA ARG 40 HA ARG 40 -0.360 3.277 -5.925
303 HB2 ARG 40 HB2 ARG 40 1.449 3.241 -7.359
304 HB3 ARG 40 HB3 ARG 40 0.641 4.122 -8.624
305 HG2 ARG 40 HG2 ARG 40 1.030 5.731 -6.149
306 HG3 ARG 40 HG3 ARG 40 2.502 5.101 -6.861
307 HD2 ARG 40 HD2 ARG 40 1.438 5.986 -9.136
308 HD3 ARG 40 HD3 ARG 40 0.488 7.005 -8.048
309 HE ARG 40 HE ARG 40 2.416 8.153 -7.398
310 HH11 ARG 40 HH11 ARG 40 3.362 5.497 -9.655
311 HH12 ARG 40 HH12 ARG 40 5.049 5.932 -9.524
312 HH21 ARG 40 HH21 ARG 40 4.704 8.642 -7.435
313 HH22 ARG 40 HH22 ARG 40 5.762 7.704 -8.466
314 HA PRO 41 HA PRO 41 -3.634 6.336 -5.719
315 HB2 PRO 41 HB2 PRO 41 -3.309 7.221 -3.157
316 HB3 PRO 41 HB3 PRO 41 -3.875 5.576 -3.571
317 HG2 PRO 41 HG2 PRO 41 -1.065 6.417 -2.796
318 HG3 PRO 41 HG3 PRO 41 -2.049 5.065 -2.171
319 HD2 PRO 41 HD2 PRO 41 -0.155 4.952 -4.233
320 HD3 PRO 41 HD3 PRO 41 -1.469 3.777 -4.085
321 H SER 42 H SER 42 -3.733 8.794 -4.693
322 HA SER 42 HA SER 42 -1.344 10.356 -5.057
323 HB2 SER 42 HB2 SER 42 -2.011 9.705 -7.426
324 HB3 SER 42 HB3 SER 42 -3.535 10.567 -7.189
325 HG SER 42 HG SER 42 -0.963 11.748 -6.803
326 H GLY 43 H GLY 43 -2.346 10.573 -2.866
327 HA2 GLY 43 HA2 GLY 43 -3.135 12.137 -1.336
328 HA3 GLY 43 HA3 GLY 43 -3.715 13.137 -2.655
Start of MODEL 19
1 H1 GLY 1 H GLY 1 13.020 0.157 11.106
2 HA2 GLY 1 HA2 GLY 1 12.540 -0.432 8.769
3 HA3 GLY 1 HA3 GLY 1 14.127 0.335 8.933
4 H LEU 2 H LEU 2 12.417 -2.705 8.363
5 HA LEU 2 HA LEU 2 14.766 -4.378 8.453
6 HB2 LEU 2 HB2 LEU 2 12.501 -5.301 8.699
7 HB3 LEU 2 HB3 LEU 2 12.067 -4.739 7.082
8 HG LEU 2 HG LEU 2 13.742 -6.279 6.081
9 HD11 LEU 2 HD11 LEU 2 14.196 -7.197 8.952
10 HD12 LEU 2 HD12 LEU 2 15.398 -6.449 7.871
11 HD13 LEU 2 HD13 LEU 2 14.767 -8.052 7.505
12 HD21 LEU 2 HD21 LEU 2 12.527 -8.369 6.587
13 HD22 LEU 2 HD22 LEU 2 11.426 -7.001 6.431
14 HD23 LEU 2 HD23 LEU 2 11.832 -7.623 8.041
15 H GLU 3 H GLU 3 12.987 -2.649 5.927
16 HA GLU 3 HA GLU 3 14.748 -3.383 3.747
17 HB2 GLU 3 HB2 GLU 3 12.446 -1.409 4.140
18 HB3 GLU 3 HB3 GLU 3 13.313 -1.523 2.631
19 HG2 GLU 3 HG2 GLU 3 11.387 -2.909 2.390
20 HG3 GLU 3 HG3 GLU 3 12.781 -3.972 2.493
21 H HIS 4 H HIS 4 15.580 -1.356 2.368
22 HA HIS 4 HA HIS 4 17.024 0.506 4.217
23 HB2 HIS 4 HB2 HIS 4 18.396 -1.472 3.371
24 HB3 HIS 4 HB3 HIS 4 18.277 -0.756 1.766
25 HD1 HIS 4 HD1 HIS 4 19.529 0.215 5.318
26 HD2 HIS 4 HD2 HIS 4 20.013 1.153 1.235
27 HE1 HIS 4 HE1 HIS 4 21.519 1.820 5.166
28 H MET 5 H MET 5 15.555 0.024 1.010
29 HA MET 5 HA MET 5 15.670 2.984 0.605
30 HB2 MET 5 HB2 MET 5 15.514 2.498 -1.821
31 HB3 MET 5 HB3 MET 5 17.060 2.180 -1.073
32 HG2 MET 5 HG2 MET 5 15.081 -0.067 -1.547
33 HG3 MET 5 HG3 MET 5 16.108 0.526 -2.833
34 HE1 MET 5 HE1 MET 5 15.854 -2.413 -1.992
35 HE2 MET 5 HE2 MET 5 17.001 -1.950 -3.262
36 HE3 MET 5 HE3 MET 5 17.523 -3.007 -1.926
37 H ALA 6 H ALA 6 13.788 3.034 1.916
38 HA ALA 6 HA ALA 6 11.388 1.662 0.940
39 HB1 ALA 6 HB1 ALA 6 10.275 2.716 2.853
40 HB2 ALA 6 HB2 ALA 6 11.738 1.848 3.359
41 HB3 ALA 6 HB3 ALA 6 11.750 3.625 3.230
42 H ASP 7 H ASP 7 11.526 2.700 -1.202
43 HA ASP 7 HA ASP 7 10.941 5.639 -1.293
44 HB2 ASP 7 HB2 ASP 7 12.616 5.048 -2.763
45 HB3 ASP 7 HB3 ASP 7 11.815 3.586 -3.328
46 H GLU 8 H GLU 8 9.811 2.514 -2.587
47 HA GLU 8 HA GLU 8 7.541 3.386 -3.813
48 HB2 GLU 8 HB2 GLU 8 6.809 1.099 -3.704
49 HB3 GLU 8 HB3 GLU 8 8.447 1.213 -4.213
50 HG2 GLU 8 HG2 GLU 8 7.659 0.518 -1.345
51 HG3 GLU 8 HG3 GLU 8 7.715 -0.680 -2.630
52 H GLU 9 H GLU 9 7.953 3.118 -0.397
53 HA GLU 9 HA GLU 9 5.063 3.154 0.245
54 HB2 GLU 9 HB2 GLU 9 7.599 3.348 1.873
55 HB3 GLU 9 HB3 GLU 9 6.031 3.656 2.609
56 HG2 GLU 9 HG2 GLU 9 5.160 1.491 2.062
57 HG3 GLU 9 HG3 GLU 9 6.529 1.111 1.037
58 H LYS 10 H LYS 10 6.280 5.286 -1.446
59 HA LYS 10 HA LYS 10 6.070 7.762 0.051
60 HB2 LYS 10 HB2 LYS 10 6.580 8.984 -1.832
61 HB3 LYS 10 HB3 LYS 10 7.546 7.544 -1.932
62 HG2 LYS 10 HG2 LYS 10 5.118 8.306 -3.577
63 HG3 LYS 10 HG3 LYS 10 6.770 8.077 -4.109
64 HD2 LYS 10 HD2 LYS 10 6.542 5.611 -3.600
65 HD3 LYS 10 HD3 LYS 10 4.820 5.917 -3.220
66 HE2 LYS 10 HE2 LYS 10 4.802 7.118 -5.541
67 HE3 LYS 10 HE3 LYS 10 6.291 6.209 -5.851
68 HZ1 LYS 10 HZ1 LYS 10 5.014 4.185 -5.425
69 HZ2 LYS 10 HZ2 LYS 10 4.433 5.076 -6.675
70 HZ3 LYS 10 HZ3 LYS 10 3.628 5.129 -5.234
71 H LEU 11 H LEU 11 3.688 5.872 -0.150
72 HA LEU 11 HA LEU 11 1.623 7.153 -1.539
73 HB2 LEU 11 HB2 LEU 11 1.883 5.083 0.658
74 HB3 LEU 11 HB3 LEU 11 0.320 5.815 0.386
75 HG LEU 11 HG LEU 11 0.759 5.290 -2.141
76 HD11 LEU 11 HD11 LEU 11 3.107 4.545 -1.875
77 HD12 LEU 11 HD12 LEU 11 2.057 3.380 -2.646
78 HD13 LEU 11 HD13 LEU 11 2.526 3.148 -0.938
79 HD21 LEU 11 HD21 LEU 11 -0.525 3.317 -1.937
80 HD22 LEU 11 HD22 LEU 11 -0.975 4.250 -0.534
81 HD23 LEU 11 HD23 LEU 11 0.151 2.923 -0.328
82 HA PRO 12 HA PRO 12 0.546 10.557 1.009
83 HB2 PRO 12 HB2 PRO 12 -2.188 10.699 0.510
84 HB3 PRO 12 HB3 PRO 12 -0.926 10.918 -0.747
85 HG2 PRO 12 HG2 PRO 12 -2.426 8.435 0.025
86 HG3 PRO 12 HG3 PRO 12 -2.386 9.198 -1.604
87 HD2 PRO 12 HD2 PRO 12 -0.738 7.199 -0.899
88 HD3 PRO 12 HD3 PRO 12 -0.125 8.557 -1.898
89 HA PRO 13 HA PRO 13 -0.845 9.183 4.966
90 HB2 PRO 13 HB2 PRO 13 -2.459 11.110 6.015
91 HB3 PRO 13 HB3 PRO 13 -0.705 11.372 5.760
92 HG2 PRO 13 HG2 PRO 13 -2.981 12.140 3.899
93 HG3 PRO 13 HG3 PRO 13 -1.683 13.192 4.508
94 HD2 PRO 13 HD2 PRO 13 -1.431 12.040 2.093
95 HD3 PRO 13 HD3 PRO 13 -0.021 12.059 3.194
96 H GLY 14 H GLY 14 -2.674 8.300 6.128
97 HA2 GLY 14 HA2 GLY 14 -4.760 7.462 6.407
98 HA3 GLY 14 HA3 GLY 14 -5.338 8.223 4.920
99 H TRP 15 H TRP 15 -2.696 6.893 3.647
100 HA TRP 15 HA TRP 15 -4.017 4.319 3.043
101 HB2 TRP 15 HB2 TRP 15 -1.806 5.808 1.636
102 HB3 TRP 15 HB3 TRP 15 -2.219 4.154 1.308
103 HD1 TRP 15 HD1 TRP 15 -3.979 7.602 1.168
104 HE1 TRP 15 HE1 TRP 15 -5.674 7.572 -0.803
105 HE3 TRP 15 HE3 TRP 15 -3.700 2.684 -0.059
106 HZ2 TRP 15 HZ2 TRP 15 -6.886 5.602 -2.491
107 HZ3 TRP 15 HZ3 TRP 15 -5.214 1.724 -1.816
108 HH2 TRP 15 HH2 TRP 15 -6.814 3.196 -3.004
109 H GLU 16 H GLU 16 -2.595 2.522 2.720
110 HA GLU 16 HA GLU 16 -0.254 2.261 4.408
111 HB2 GLU 16 HB2 GLU 16 -2.968 1.306 5.144
112 HB3 GLU 16 HB3 GLU 16 -1.860 -0.034 4.950
113 HG2 GLU 16 HG2 GLU 16 -1.307 2.436 6.637
114 HG3 GLU 16 HG3 GLU 16 -1.974 0.914 7.211
115 H LYS 17 H LYS 17 1.052 0.749 3.476
116 HA LYS 17 HA LYS 17 0.276 -0.350 0.883
117 HB2 LYS 17 HB2 LYS 17 2.354 1.081 1.590
118 HB3 LYS 17 HB3 LYS 17 3.008 -0.434 2.250
119 HG2 LYS 17 HG2 LYS 17 2.043 0.136 -0.541
120 HG3 LYS 17 HG3 LYS 17 3.737 0.084 -0.048
121 HD2 LYS 17 HD2 LYS 17 3.617 -2.362 0.200
122 HD3 LYS 17 HD3 LYS 17 1.848 -2.329 0.121
123 HE2 LYS 17 HE2 LYS 17 2.232 -2.864 -1.978
124 HE3 LYS 17 HE3 LYS 17 2.046 -1.144 -2.107
125 HZ1 LYS 17 HZ1 LYS 17 4.052 -2.049 -3.310
126 HZ2 LYS 17 HZ2 LYS 17 4.729 -2.387 -1.825
127 HZ3 LYS 17 HZ3 LYS 17 4.382 -0.860 -2.243
128 H ARG 18 H ARG 18 -0.679 -2.389 1.034
129 HA ARG 18 HA ARG 18 0.618 -4.267 2.891
130 HB2 ARG 18 HB2 ARG 18 -2.425 -4.160 2.675
131 HB3 ARG 18 HB3 ARG 18 -1.424 -5.151 3.711
132 HG2 ARG 18 HG2 ARG 18 -0.546 -2.896 4.696
133 HG3 ARG 18 HG3 ARG 18 -1.987 -2.197 3.931
134 HD2 ARG 18 HD2 ARG 18 -3.390 -3.850 5.100
135 HD3 ARG 18 HD3 ARG 18 -1.984 -4.611 5.811
136 HE ARG 18 HE ARG 18 -3.137 -2.036 6.633
137 HH11 ARG 18 HH11 ARG 18 -0.210 -4.024 6.609
138 HH12 ARG 18 HH12 ARG 18 0.511 -3.284 7.972
139 HH21 ARG 18 HH21 ARG 18 -2.143 -0.953 8.426
140 HH22 ARG 18 HH22 ARG 18 -0.661 -1.559 9.084
141 H MET 19 H MET 19 -0.072 -6.440 2.715
142 HA MET 19 HA MET 19 -0.224 -7.224 -0.150
143 HB2 MET 19 HB2 MET 19 1.891 -7.651 1.182
144 HB3 MET 19 HB3 MET 19 0.973 -8.916 2.041
145 HG2 MET 19 HG2 MET 19 0.430 -9.905 -0.197
146 HG3 MET 19 HG3 MET 19 1.536 -8.736 -0.934
147 HE1 MET 19 HE1 MET 19 4.275 -8.797 -0.516
148 HE2 MET 19 HE2 MET 19 3.872 -8.585 1.203
149 HE3 MET 19 HE3 MET 19 4.992 -9.850 0.708
150 H SER 20 H SER 20 -1.803 -8.411 -0.814
151 HA SER 20 HA SER 20 -4.070 -9.115 0.753
152 HB2 SER 20 HB2 SER 20 -3.918 -8.561 -1.770
153 HB3 SER 20 HB3 SER 20 -3.289 -10.194 -1.990
154 HG SER 20 HG SER 20 -5.551 -10.113 -2.222
155 H ARG 21 H ARG 21 -4.062 -10.762 2.135
156 HA ARG 21 HA ARG 21 -2.057 -12.806 2.159
157 HB2 ARG 21 HB2 ARG 21 -3.225 -11.705 4.083
158 HB3 ARG 21 HB3 ARG 21 -4.626 -12.732 3.753
159 HG2 ARG 21 HG2 ARG 21 -3.310 -14.728 4.319
160 HG3 ARG 21 HG3 ARG 21 -1.814 -13.771 4.320
161 HD2 ARG 21 HD2 ARG 21 -2.807 -12.395 6.206
162 HD3 ARG 21 HD3 ARG 21 -4.132 -13.575 6.282
163 HE ARG 21 HE ARG 21 -2.239 -15.281 6.599
164 HH11 ARG 21 HH11 ARG 21 -1.898 -11.956 7.948
165 HH12 ARG 21 HH12 ARG 21 -1.085 -12.536 9.362
166 HH21 ARG 21 HH21 ARG 21 -1.229 -15.946 8.385
167 HH22 ARG 21 HH22 ARG 21 -0.802 -14.871 9.683
168 H SER 22 H SER 22 -4.748 -12.679 0.054
169 HA SER 22 HA SER 22 -5.703 -15.347 0.181
170 HB2 SER 22 HB2 SER 22 -6.212 -14.838 -2.292
171 HB3 SER 22 HB3 SER 22 -6.940 -13.765 -1.082
172 HG SER 22 HG SER 22 -5.911 -12.725 -2.922
173 H SER 23 H SER 23 -3.244 -13.869 -1.922
174 HA SER 23 HA SER 23 -1.739 -16.451 -2.010
175 HB2 SER 23 HB2 SER 23 -2.459 -14.653 -4.342
176 HB3 SER 23 HB3 SER 23 -1.289 -15.984 -4.402
177 HG SER 23 HG SER 23 -3.012 -17.379 -3.712
178 H GLY 24 H GLY 24 -1.491 -13.007 -1.416
179 HA2 GLY 24 HA2 GLY 24 0.465 -12.115 -0.560
180 HA3 GLY 24 HA3 GLY 24 1.455 -13.257 -1.492
181 H ARG 25 H ARG 25 -0.982 -10.620 -1.835
182 HA ARG 25 HA ARG 25 0.272 -9.924 -4.441
183 HB2 ARG 25 HB2 ARG 25 -2.282 -10.951 -4.165
184 HB3 ARG 25 HB3 ARG 25 -2.574 -9.211 -4.074
185 HG2 ARG 25 HG2 ARG 25 -2.703 -9.883 -6.340
186 HG3 ARG 25 HG3 ARG 25 -1.240 -8.917 -6.138
187 HD2 ARG 25 HD2 ARG 25 -0.673 -10.651 -7.595
188 HD3 ARG 25 HD3 ARG 25 0.091 -11.096 -6.088
189 HE ARG 25 HE ARG 25 -2.468 -12.184 -7.180
190 HH11 ARG 25 HH11 ARG 25 0.546 -12.874 -5.313
191 HH12 ARG 25 HH12 ARG 25 0.457 -14.577 -5.650
192 HH21 ARG 25 HH21 ARG 25 -2.519 -14.483 -7.524
193 HH22 ARG 25 HH22 ARG 25 -1.331 -15.488 -6.829
194 H VAL 26 H VAL 26 1.409 -8.131 -4.217
195 HA VAL 26 HA VAL 26 1.011 -6.399 -1.955
196 HB VAL 26 HB VAL 26 2.813 -6.308 -4.413
197 HG11 VAL 26 HG11 VAL 26 2.543 -4.049 -3.518
198 HG12 VAL 26 HG12 VAL 26 2.834 -4.665 -1.849
199 HG13 VAL 26 HG13 VAL 26 4.136 -4.674 -3.066
200 HG21 VAL 26 HG21 VAL 26 3.379 -6.945 -1.470
201 HG22 VAL 26 HG22 VAL 26 3.206 -8.182 -2.732
202 HG23 VAL 26 HG23 VAL 26 4.536 -7.029 -2.811
203 H TYR 27 H TYR 27 -0.276 -4.668 -1.758
204 HA TYR 27 HA TYR 27 -1.121 -3.085 -4.044
205 HB2 TYR 27 HB2 TYR 27 -3.428 -3.395 -3.861
206 HB3 TYR 27 HB3 TYR 27 -2.771 -5.007 -3.919
207 HD1 TYR 27 HD1 TYR 27 -2.312 -6.060 -1.411
208 HD2 TYR 27 HD2 TYR 27 -5.182 -2.993 -2.375
209 HE1 TYR 27 HE1 TYR 27 -3.554 -6.556 0.681
210 HE2 TYR 27 HE2 TYR 27 -6.400 -3.505 -0.264
211 HH TYR 27 HH TYR 27 -5.163 -5.759 2.125
212 H TYR 28 H TYR 28 -2.978 -1.460 -2.877
213 HA TYR 28 HA TYR 28 -1.685 -0.324 -0.479
214 HB2 TYR 28 HB2 TYR 28 -3.105 1.160 -2.720
215 HB3 TYR 28 HB3 TYR 28 -2.160 1.826 -1.404
216 HD1 TYR 28 HD2 TYR 28 0.305 0.888 -1.269
217 HD2 TYR 28 HD1 TYR 28 -2.068 1.076 -4.834
218 HE1 TYR 28 HE2 TYR 28 2.392 1.026 -2.632
219 HE2 TYR 28 HE1 TYR 28 -0.024 1.124 -6.216
220 HH TYR 28 HH TYR 28 3.270 1.086 -4.790
221 H PHE 29 H PHE 29 -3.153 0.439 1.102
222 HA PHE 29 HA PHE 29 -6.049 0.151 0.634
223 HB2 PHE 29 HB2 PHE 29 -5.573 -1.996 1.520
224 HB3 PHE 29 HB3 PHE 29 -4.381 -1.348 2.638
225 HD1 PHE 29 HD2 PHE 29 -7.960 -0.100 2.190
226 HD2 PHE 29 HD1 PHE 29 -5.106 -2.193 4.680
227 HE1 PHE 29 HE2 PHE 29 -9.475 0.076 4.113
228 HE2 PHE 29 HE1 PHE 29 -6.692 -2.074 6.582
229 HZ PHE 29 HZ PHE 29 -8.867 -0.897 6.311
230 H ASN 30 H ASN 30 -6.966 1.894 1.183
231 HA ASN 30 HA ASN 30 -5.826 3.868 3.012
232 HB2 ASN 30 HB2 ASN 30 -6.960 4.340 0.729
233 HB3 ASN 30 HB3 ASN 30 -8.446 4.051 1.548
234 HD21 ASN 30 HD21 ASN 30 -6.515 6.589 0.844
235 HD22 ASN 30 HD22 ASN 30 -6.978 7.673 2.138
236 H HIS 31 H HIS 31 -6.066 3.326 5.090
237 HA HIS 31 HA HIS 31 -8.474 1.934 6.008
238 HB2 HIS 31 HB2 HIS 31 -7.358 1.873 8.154
239 HB3 HIS 31 HB3 HIS 31 -6.319 1.262 6.872
240 HD1 HIS 31 HD1 HIS 31 -6.533 3.970 9.496
241 HD2 HIS 31 HD2 HIS 31 -4.143 2.875 6.190
242 HE1 HIS 31 HE1 HIS 31 -4.379 5.350 9.645
243 H ILE 32 H ILE 32 -7.790 5.226 5.402
244 HA ILE 32 HA ILE 32 -9.377 6.276 7.654
245 HB ILE 32 HB ILE 32 -7.527 7.297 5.540
246 HG12 ILE 32 HG12 ILE 32 -6.796 8.796 7.315
247 HG13 ILE 32 HG13 ILE 32 -8.193 8.357 8.309
248 HG21 ILE 32 HG21 ILE 32 -9.775 9.110 6.468
249 HG22 ILE 32 HG22 ILE 32 -8.273 9.640 5.694
250 HG23 ILE 32 HG23 ILE 32 -9.397 8.624 4.793
251 HD11 ILE 32 HD11 ILE 32 -5.964 7.305 8.928
252 HD12 ILE 32 HD12 ILE 32 -7.348 6.211 8.780
253 HD13 ILE 32 HD13 ILE 32 -6.149 6.302 7.469
254 H THR 33 H THR 33 -9.720 5.605 4.205
255 HA THR 33 HA THR 33 -12.594 6.427 4.382
256 HB THR 33 HB THR 33 -10.816 7.837 3.164
257 HG1 THR 33 HG1 THR 33 -12.217 8.433 1.553
258 HG21 THR 33 HG21 THR 33 -10.020 5.656 1.941
259 HG22 THR 33 HG22 THR 33 -9.943 7.251 1.175
260 HG23 THR 33 HG23 THR 33 -11.268 6.123 0.765
261 H ASN 34 H ASN 34 -10.697 3.750 4.264
262 HA ASN 34 HA ASN 34 -10.926 1.608 3.665
263 HB2 ASN 34 HB2 ASN 34 -13.069 2.183 4.942
264 HB3 ASN 34 HB3 ASN 34 -13.886 2.013 3.412
265 HD21 ASN 34 HD21 ASN 34 -14.318 -0.101 2.713
266 HD22 ASN 34 HD22 ASN 34 -13.709 -1.568 3.469
267 H ALA 35 H ALA 35 -9.998 3.001 1.691
268 HA ALA 35 HA ALA 35 -11.320 1.923 -0.782
269 HB1 ALA 35 HB1 ALA 35 -9.626 4.428 -0.461
270 HB2 ALA 35 HB2 ALA 35 -10.339 3.826 -1.949
271 HB3 ALA 35 HB3 ALA 35 -11.386 4.376 -0.612
272 H SER 36 H SER 36 -10.070 0.390 -1.677
273 HA SER 36 HA SER 36 -7.102 0.443 -1.335
274 HB2 SER 36 HB2 SER 36 -7.489 -2.145 -1.220
275 HB3 SER 36 HB3 SER 36 -7.599 -1.174 0.250
276 HG SER 36 HG SER 36 -9.361 -2.716 -0.081
277 H GLN 37 H GLN 37 -5.863 -0.228 -3.063
278 HA GLN 37 HA GLN 37 -6.857 -1.887 -5.128
279 HB2 GLN 37 HB2 GLN 37 -6.513 -0.106 -6.918
280 HB3 GLN 37 HB3 GLN 37 -8.027 -0.150 -6.037
281 HG2 GLN 37 HG2 GLN 37 -7.367 1.817 -4.728
282 HG3 GLN 37 HG3 GLN 37 -5.782 1.823 -5.498
283 HE21 GLN 37 HE21 GLN 37 -8.602 1.068 -7.601
284 HE22 GLN 37 HE22 GLN 37 -8.608 2.663 -8.325
285 H TRP 38 H TRP 38 -5.177 -2.154 -6.849
286 HA TRP 38 HA TRP 38 -2.469 -2.108 -5.700
287 HB2 TRP 38 HB2 TRP 38 -1.968 -2.888 -8.084
288 HB3 TRP 38 HB3 TRP 38 -2.870 -4.005 -7.045
289 HD1 TRP 38 HD1 TRP 38 -3.765 -1.307 -9.717
290 HE1 TRP 38 HE1 TRP 38 -5.923 -1.940 -10.848
291 HE3 TRP 38 HE3 TRP 38 -4.507 -5.884 -7.549
292 HZ2 TRP 38 HZ2 TRP 38 -7.683 -4.243 -11.000
293 HZ3 TRP 38 HZ3 TRP 38 -6.474 -7.260 -8.189
294 HH2 TRP 38 HH2 TRP 38 -8.063 -6.450 -9.916
295 H GLU 39 H GLU 39 -4.512 -0.053 -7.514
296 HA GLU 39 HA GLU 39 -2.582 1.262 -9.165
297 HB2 GLU 39 HB2 GLU 39 -4.782 1.164 -9.888
298 HB3 GLU 39 HB3 GLU 39 -5.460 1.668 -8.341
299 HG2 GLU 39 HG2 GLU 39 -4.564 3.968 -8.737
300 HG3 GLU 39 HG3 GLU 39 -3.953 3.440 -10.310
301 H ARG 40 H ARG 40 -1.229 2.615 -8.537
302 HA ARG 40 HA ARG 40 -0.649 3.501 -5.924
303 HB2 ARG 40 HB2 ARG 40 -0.043 4.782 -8.615
304 HB3 ARG 40 HB3 ARG 40 0.552 5.485 -7.122
305 HG2 ARG 40 HG2 ARG 40 2.040 3.784 -6.682
306 HG3 ARG 40 HG3 ARG 40 1.107 2.565 -7.545
307 HD2 ARG 40 HD2 ARG 40 2.561 4.824 -8.967
308 HD3 ARG 40 HD3 ARG 40 3.268 3.221 -8.652
309 HE ARG 40 HE ARG 40 0.706 2.945 -9.890
310 HH11 ARG 40 HH11 ARG 40 4.004 3.939 -10.833
311 HH12 ARG 40 HH12 ARG 40 4.001 2.980 -12.278
312 HH21 ARG 40 HH21 ARG 40 0.551 2.136 -11.926
313 HH22 ARG 40 HH22 ARG 40 1.888 2.205 -13.057
314 HA PRO 41 HA PRO 41 -4.049 6.369 -5.343
315 HB2 PRO 41 HB2 PRO 41 -3.338 7.488 -2.919
316 HB3 PRO 41 HB3 PRO 41 -3.979 5.851 -3.140
317 HG2 PRO 41 HG2 PRO 41 -1.054 6.644 -2.954
318 HG3 PRO 41 HG3 PRO 41 -1.971 5.457 -1.971
319 HD2 PRO 41 HD2 PRO 41 -0.487 4.773 -4.186
320 HD3 PRO 41 HD3 PRO 41 -2.045 3.954 -3.868
321 H SER 42 H SER 42 -4.098 8.846 -4.384
322 HA SER 42 HA SER 42 -1.913 10.478 -5.318
323 HB2 SER 42 HB2 SER 42 -3.482 9.684 -7.358
324 HB3 SER 42 HB3 SER 42 -4.495 11.012 -6.804
325 HG SER 42 HG SER 42 -1.695 11.273 -7.181
326 H GLY 43 H GLY 43 -2.038 10.901 -3.125
327 HA2 GLY 43 HA2 GLY 43 -4.170 12.815 -2.296
328 HA3 GLY 43 HA3 GLY 43 -3.605 11.541 -1.186
Start of MODEL 20
1 H1 GLY 1 H GLY 1 18.221 7.977 2.834
2 HA2 GLY 1 HA2 GLY 1 15.782 6.764 4.010
3 HA3 GLY 1 HA3 GLY 1 16.171 6.706 2.286
4 H LEU 2 H LEU 2 17.765 5.964 5.454
5 HA LEU 2 HA LEU 2 19.354 3.823 4.184
6 HB2 LEU 2 HB2 LEU 2 19.193 4.898 7.037
7 HB3 LEU 2 HB3 LEU 2 20.127 3.472 6.603
8 HG LEU 2 HG LEU 2 20.645 6.293 5.643
9 HD11 LEU 2 HD11 LEU 2 21.398 5.670 7.954
10 HD12 LEU 2 HD12 LEU 2 22.748 6.027 6.873
11 HD13 LEU 2 HD13 LEU 2 22.343 4.342 7.274
12 HD21 LEU 2 HD21 LEU 2 21.205 4.860 3.766
13 HD22 LEU 2 HD22 LEU 2 21.994 3.672 4.845
14 HD23 LEU 2 HD23 LEU 2 22.699 5.280 4.595
15 H GLU 3 H GLU 3 16.995 3.188 3.547
16 HA GLU 3 HA GLU 3 15.810 1.264 5.474
17 HB2 GLU 3 HB2 GLU 3 14.745 2.822 3.089
18 HB3 GLU 3 HB3 GLU 3 13.813 1.552 3.896
19 HG2 GLU 3 HG2 GLU 3 13.702 2.777 5.958
20 HG3 GLU 3 HG3 GLU 3 14.904 3.946 5.416
21 H HIS 4 H HIS 4 14.662 -0.579 4.178
22 HA HIS 4 HA HIS 4 16.350 -1.570 1.937
23 HB2 HIS 4 HB2 HIS 4 17.079 -2.505 4.160
24 HB3 HIS 4 HB3 HIS 4 15.490 -3.255 4.310
25 HD1 HIS 4 HD1 HIS 4 17.945 -3.307 1.191
26 HD2 HIS 4 HD2 HIS 4 16.066 -5.767 4.074
27 HE1 HIS 4 HE1 HIS 4 18.689 -5.653 0.715
28 H MET 5 H MET 5 13.235 -1.132 3.398
29 HA MET 5 HA MET 5 11.844 -2.926 1.487
30 HB2 MET 5 HB2 MET 5 11.036 -1.320 3.956
31 HB3 MET 5 HB3 MET 5 9.859 -2.072 2.912
32 HG2 MET 5 HG2 MET 5 12.033 -3.652 4.261
33 HG3 MET 5 HG3 MET 5 10.406 -3.379 4.919
34 HE1 MET 5 HE1 MET 5 9.344 -5.605 5.119
35 HE2 MET 5 HE2 MET 5 9.570 -6.954 3.985
36 HE3 MET 5 HE3 MET 5 10.957 -6.316 4.887
37 H ALA 6 H ALA 6 12.470 -1.615 -0.428
38 HA ALA 6 HA ALA 6 11.114 1.056 -0.521
39 HB1 ALA 6 HB1 ALA 6 13.552 1.178 -0.691
40 HB2 ALA 6 HB2 ALA 6 13.495 0.101 -2.118
41 HB3 ALA 6 HB3 ALA 6 12.728 1.706 -2.168
42 H ASP 7 H ASP 7 9.628 -1.259 -0.851
43 HA ASP 7 HA ASP 7 8.934 -1.245 -3.754
44 HB2 ASP 7 HB2 ASP 7 9.725 -3.385 -2.811
45 HB3 ASP 7 HB3 ASP 7 8.386 -3.364 -1.661
46 H GLU 8 H GLU 8 7.969 -0.159 -0.674
47 HA GLU 8 HA GLU 8 5.115 -0.287 -1.173
48 HB2 GLU 8 HB2 GLU 8 4.902 0.746 1.032
49 HB3 GLU 8 HB3 GLU 8 6.058 -0.573 1.084
50 HG2 GLU 8 HG2 GLU 8 7.843 1.380 0.676
51 HG3 GLU 8 HG3 GLU 8 6.534 2.421 1.218
52 H GLU 9 H GLU 9 7.459 1.674 -2.362
53 HA GLU 9 HA GLU 9 7.554 3.744 -3.260
54 HB2 GLU 9 HB2 GLU 9 5.563 2.382 -4.458
55 HB3 GLU 9 HB3 GLU 9 4.608 3.716 -3.818
56 HG2 GLU 9 HG2 GLU 9 5.264 4.381 -6.004
57 HG3 GLU 9 HG3 GLU 9 6.350 5.289 -4.952
58 H LYS 10 H LYS 10 6.592 3.556 -0.374
59 HA LYS 10 HA LYS 10 6.017 4.804 1.366
60 HB2 LYS 10 HB2 LYS 10 7.627 6.525 -0.426
61 HB3 LYS 10 HB3 LYS 10 6.836 7.323 0.947
62 HG2 LYS 10 HG2 LYS 10 8.933 6.741 1.718
63 HG3 LYS 10 HG3 LYS 10 7.822 5.602 2.465
64 HD2 LYS 10 HD2 LYS 10 9.835 4.451 1.879
65 HD3 LYS 10 HD3 LYS 10 8.537 3.853 0.862
66 HE2 LYS 10 HE2 LYS 10 10.551 4.137 -0.463
67 HE3 LYS 10 HE3 LYS 10 9.325 5.289 -1.015
68 HZ1 LYS 10 HZ1 LYS 10 10.496 7.006 0.269
69 HZ2 LYS 10 HZ2 LYS 10 11.531 6.262 -0.792
70 HZ3 LYS 10 HZ3 LYS 10 11.590 5.912 0.802
71 H LEU 11 H LEU 11 3.791 4.183 0.619
72 HA LEU 11 HA LEU 11 2.038 5.913 -0.591
73 HB2 LEU 11 HB2 LEU 11 1.426 4.247 1.883
74 HB3 LEU 11 HB3 LEU 11 0.285 4.754 0.650
75 HG LEU 11 HG LEU 11 2.454 2.677 0.368
76 HD11 LEU 11 HD11 LEU 11 -0.573 2.448 0.055
77 HD12 LEU 11 HD12 LEU 11 0.266 2.184 1.596
78 HD13 LEU 11 HD13 LEU 11 0.615 1.145 0.237
79 HD21 LEU 11 HD21 LEU 11 1.795 2.361 -1.911
80 HD22 LEU 11 HD22 LEU 11 2.115 4.066 -1.773
81 HD23 LEU 11 HD23 LEU 11 0.429 3.485 -1.773
82 HA PRO 12 HA PRO 12 1.376 9.369 2.164
83 HB2 PRO 12 HB2 PRO 12 -1.243 10.039 1.479
84 HB3 PRO 12 HB3 PRO 12 0.161 10.260 0.390
85 HG2 PRO 12 HG2 PRO 12 -1.754 7.953 0.594
86 HG3 PRO 12 HG3 PRO 12 -1.335 8.850 -0.898
87 HD2 PRO 12 HD2 PRO 12 -0.197 6.536 -0.296
88 HD3 PRO 12 HD3 PRO 12 0.800 7.863 -0.963
89 HA PRO 13 HA PRO 13 -0.398 8.138 5.965
90 HB2 PRO 13 HB2 PRO 13 -1.922 10.267 6.901
91 HB3 PRO 13 HB3 PRO 13 -0.155 10.205 6.928
92 HG2 PRO 13 HG2 PRO 13 -1.922 11.508 4.846
93 HG3 PRO 13 HG3 PRO 13 -0.458 12.175 5.638
94 HD2 PRO 13 HD2 PRO 13 -0.360 11.066 3.182
95 HD3 PRO 13 HD3 PRO 13 0.966 10.763 4.339
96 H GLY 14 H GLY 14 -1.980 6.769 6.523
97 HA2 GLY 14 HA2 GLY 14 -4.149 6.085 6.933
98 HA3 GLY 14 HA3 GLY 14 -4.784 7.162 5.653
99 H TRP 15 H TRP 15 -2.227 6.005 3.992
100 HA TRP 15 HA TRP 15 -3.757 3.696 2.973
101 HB2 TRP 15 HB2 TRP 15 -1.458 5.267 1.871
102 HB3 TRP 15 HB3 TRP 15 -1.919 3.702 1.258
103 HD1 TRP 15 HD1 TRP 15 -3.450 7.239 1.535
104 HE1 TRP 15 HE1 TRP 15 -4.906 7.606 -0.470
105 HE3 TRP 15 HE3 TRP 15 -3.589 2.449 -0.154
106 HZ2 TRP 15 HZ2 TRP 15 -6.306 5.894 -2.470
107 HZ3 TRP 15 HZ3 TRP 15 -5.066 1.821 -2.078
108 HH2 TRP 15 HH2 TRP 15 -6.416 3.550 -3.219
109 H GLU 16 H GLU 16 -2.831 1.763 2.782
110 HA GLU 16 HA GLU 16 -0.423 1.136 4.469
111 HB2 GLU 16 HB2 GLU 16 -3.232 0.543 5.041
112 HB3 GLU 16 HB3 GLU 16 -2.325 -0.936 4.894
113 HG2 GLU 16 HG2 GLU 16 -1.295 1.329 6.621
114 HG3 GLU 16 HG3 GLU 16 -2.561 0.228 7.182
115 H LYS 17 H LYS 17 0.994 -0.010 3.321
116 HA LYS 17 HA LYS 17 0.195 -1.332 0.840
117 HB2 LYS 17 HB2 LYS 17 2.317 0.036 1.398
118 HB3 LYS 17 HB3 LYS 17 2.907 -1.420 2.207
119 HG2 LYS 17 HG2 LYS 17 2.003 -1.218 -0.705
120 HG3 LYS 17 HG3 LYS 17 3.638 -1.068 -0.139
121 HD2 LYS 17 HD2 LYS 17 2.701 -3.548 0.872
122 HD3 LYS 17 HD3 LYS 17 2.150 -3.432 -0.798
123 HE2 LYS 17 HE2 LYS 17 5.025 -2.957 0.155
124 HE3 LYS 17 HE3 LYS 17 4.426 -4.515 -0.405
125 HZ1 LYS 17 HZ1 LYS 17 5.428 -3.625 -2.265
126 HZ2 LYS 17 HZ2 LYS 17 4.913 -2.114 -2.045
127 HZ3 LYS 17 HZ3 LYS 17 3.869 -3.255 -2.562
128 H ARG 18 H ARG 18 -0.974 -3.117 1.201
129 HA ARG 18 HA ARG 18 -0.048 -5.139 3.228
130 HB2 ARG 18 HB2 ARG 18 -2.923 -4.565 2.320
131 HB3 ARG 18 HB3 ARG 18 -2.408 -5.771 3.481
132 HG2 ARG 18 HG2 ARG 18 -1.387 -3.570 4.703
133 HG3 ARG 18 HG3 ARG 18 -2.744 -2.850 3.821
134 HD2 ARG 18 HD2 ARG 18 -4.296 -4.434 4.863
135 HD3 ARG 18 HD3 ARG 18 -2.953 -5.293 5.636
136 HE ARG 18 HE ARG 18 -4.271 -2.853 6.546
137 HH11 ARG 18 HH11 ARG 18 -1.051 -4.389 6.640
138 HH12 ARG 18 HH12 ARG 18 -0.708 -3.788 8.199
139 HH21 ARG 18 HH21 ARG 18 -3.792 -2.144 8.618
140 HH22 ARG 18 HH22 ARG 18 -2.311 -2.609 9.400
141 H MET 19 H MET 19 -1.142 -7.324 2.663
142 HA MET 19 HA MET 19 -0.938 -7.831 -0.254
143 HB2 MET 19 HB2 MET 19 1.065 -8.487 1.114
144 HB3 MET 19 HB3 MET 19 0.029 -9.672 1.949
145 HG2 MET 19 HG2 MET 19 -0.548 -10.593 -0.315
146 HG3 MET 19 HG3 MET 19 0.651 -9.512 -1.026
147 HE1 MET 19 HE1 MET 19 2.914 -9.765 1.441
148 HE2 MET 19 HE2 MET 19 3.979 -10.943 0.638
149 HE3 MET 19 HE3 MET 19 3.299 -9.610 -0.291
150 H SER 20 H SER 20 -2.549 -9.004 -1.081
151 HA SER 20 HA SER 20 -4.999 -9.308 0.428
152 HB2 SER 20 HB2 SER 20 -4.681 -8.678 -2.067
153 HB3 SER 20 HB3 SER 20 -4.389 -10.386 -2.336
154 HG SER 20 HG SER 20 -6.493 -10.438 -2.470
155 H ARG 21 H ARG 21 -5.128 -10.939 1.859
156 HA ARG 21 HA ARG 21 -3.486 -13.197 1.973
157 HB2 ARG 21 HB2 ARG 21 -6.229 -12.692 3.171
158 HB3 ARG 21 HB3 ARG 21 -5.168 -14.048 3.608
159 HG2 ARG 21 HG2 ARG 21 -3.417 -12.539 4.356
160 HG3 ARG 21 HG3 ARG 21 -4.345 -11.118 3.856
161 HD2 ARG 21 HD2 ARG 21 -6.133 -11.732 5.479
162 HD3 ARG 21 HD3 ARG 21 -5.156 -13.098 6.001
163 HE ARG 21 HE ARG 21 -3.461 -11.619 6.846
164 HH11 ARG 21 HH11 ARG 21 -6.385 -9.887 5.871
165 HH12 ARG 21 HH12 ARG 21 -6.175 -8.600 7.010
166 HH21 ARG 21 HH21 ARG 21 -3.211 -9.976 8.398
167 HH22 ARG 21 HH22 ARG 21 -4.244 -8.601 8.425
168 H SER 22 H SER 22 -6.168 -12.813 -0.219
169 HA SER 22 HA SER 22 -7.063 -15.426 -0.374
170 HB2 SER 22 HB2 SER 22 -6.806 -13.619 -2.791
171 HB3 SER 22 HB3 SER 22 -8.084 -14.778 -2.395
172 HG SER 22 HG SER 22 -8.889 -12.808 -1.913
173 H SER 23 H SER 23 -4.450 -13.900 -2.379
174 HA SER 23 HA SER 23 -3.253 -16.564 -2.767
175 HB2 SER 23 HB2 SER 23 -4.719 -15.990 -4.689
176 HB3 SER 23 HB3 SER 23 -3.738 -14.550 -4.980
177 HG SER 23 HG SER 23 -2.487 -17.078 -4.857
178 H GLY 24 H GLY 24 -2.791 -13.263 -1.788
179 HA2 GLY 24 HA2 GLY 24 -0.824 -12.630 -0.783
180 HA3 GLY 24 HA3 GLY 24 0.127 -13.688 -1.815
181 H ARG 25 H ARG 25 -2.483 -11.379 -2.872
182 HA ARG 25 HA ARG 25 -0.537 -10.282 -4.782
183 HB2 ARG 25 HB2 ARG 25 -3.524 -10.250 -4.476
184 HB3 ARG 25 HB3 ARG 25 -2.799 -8.850 -5.183
185 HG2 ARG 25 HG2 ARG 25 -2.270 -11.651 -6.270
186 HG3 ARG 25 HG3 ARG 25 -3.587 -10.610 -6.803
187 HD2 ARG 25 HD2 ARG 25 -1.963 -10.221 -8.410
188 HD3 ARG 25 HD3 ARG 25 -1.880 -8.818 -7.334
189 HE ARG 25 HE ARG 25 -0.051 -11.131 -6.944
190 HH11 ARG 25 HH11 ARG 25 -0.277 -7.821 -8.187
191 HH12 ARG 25 HH12 ARG 25 1.398 -7.460 -7.907
192 HH21 ARG 25 HH21 ARG 25 2.114 -10.690 -6.602
193 HH22 ARG 25 HH22 ARG 25 2.764 -9.103 -6.901
194 H VAL 26 H VAL 26 0.742 -8.624 -4.215
195 HA VAL 26 HA VAL 26 0.293 -7.085 -1.819
196 HB VAL 26 HB VAL 26 2.229 -6.824 -4.164
197 HG11 VAL 26 HG11 VAL 26 2.024 -4.686 -2.903
198 HG12 VAL 26 HG12 VAL 26 2.362 -5.586 -1.394
199 HG13 VAL 26 HG13 VAL 26 3.598 -5.464 -2.675
200 HG21 VAL 26 HG21 VAL 26 3.836 -7.848 -2.559
201 HG22 VAL 26 HG22 VAL 26 2.538 -7.986 -1.368
202 HG23 VAL 26 HG23 VAL 26 2.486 -8.951 -2.863
203 H TYR 27 H TYR 27 -0.767 -5.108 -1.595
204 HA TYR 27 HA TYR 27 -1.256 -3.410 -3.896
205 HB2 TYR 27 HB2 TYR 27 -3.622 -3.420 -3.884
206 HB3 TYR 27 HB3 TYR 27 -3.136 -5.084 -4.052
207 HD1 TYR 27 HD1 TYR 27 -2.947 -6.403 -1.651
208 HD2 TYR 27 HD2 TYR 27 -5.391 -2.941 -2.429
209 HE1 TYR 27 HE1 TYR 27 -4.472 -7.084 0.151
210 HE2 TYR 27 HE2 TYR 27 -6.880 -3.586 -0.542
211 HH TYR 27 HH TYR 27 -7.524 -6.002 0.516
212 H TYR 28 H TYR 28 -2.861 -1.525 -3.041
213 HA TYR 28 HA TYR 28 -1.744 -0.620 -0.439
214 HB2 TYR 28 HB2 TYR 28 -2.985 1.045 -2.645
215 HB3 TYR 28 HB3 TYR 28 -1.947 1.579 -1.344
216 HD1 TYR 28 HD2 TYR 28 0.399 -0.052 -1.425
217 HD2 TYR 28 HD1 TYR 28 -1.993 1.347 -4.718
218 HE1 TYR 28 HE2 TYR 28 2.427 -0.024 -2.847
219 HE2 TYR 28 HE1 TYR 28 -0.027 1.161 -6.194
220 HH TYR 28 HH TYR 28 3.200 0.104 -5.180
221 H PHE 29 H PHE 29 -3.235 0.043 1.163
222 HA PHE 29 HA PHE 29 -6.118 0.028 0.434
223 HB2 PHE 29 HB2 PHE 29 -5.910 -2.118 1.366
224 HB3 PHE 29 HB3 PHE 29 -4.718 -1.599 2.536
225 HD1 PHE 29 HD2 PHE 29 -8.256 -0.210 1.877
226 HD2 PHE 29 HD1 PHE 29 -5.476 -2.024 4.665
227 HE1 PHE 29 HE2 PHE 29 -9.911 -0.034 3.645
228 HE2 PHE 29 HE1 PHE 29 -7.169 -1.807 6.450
229 HZ PHE 29 HZ PHE 29 -9.411 -0.854 5.937
230 H ASN 30 H ASN 30 -6.926 1.861 0.850
231 HA ASN 30 HA ASN 30 -5.745 3.707 2.826
232 HB2 ASN 30 HB2 ASN 30 -6.643 4.286 0.437
233 HB3 ASN 30 HB3 ASN 30 -8.221 4.267 1.182
234 HD21 ASN 30 HD21 ASN 30 -7.130 6.771 0.196
235 HD22 ASN 30 HD22 ASN 30 -6.914 7.794 1.595
236 H HIS 31 H HIS 31 -6.273 2.998 4.847
237 HA HIS 31 HA HIS 31 -8.942 1.861 5.312
238 HB2 HIS 31 HB2 HIS 31 -8.212 1.505 7.579
239 HB3 HIS 31 HB3 HIS 31 -7.021 0.912 6.422
240 HD1 HIS 31 HD1 HIS 31 -7.431 3.537 9.164
241 HD2 HIS 31 HD2 HIS 31 -4.594 2.026 6.415
242 HE1 HIS 31 HE1 HIS 31 -5.128 4.344 9.941
243 H ILE 32 H ILE 32 -7.675 5.068 5.214
244 HA ILE 32 HA ILE 32 -9.448 6.170 7.238
245 HB ILE 32 HB ILE 32 -7.372 7.132 5.316
246 HG12 ILE 32 HG12 ILE 32 -6.471 8.291 7.127
247 HG13 ILE 32 HG13 ILE 32 -7.947 8.136 8.100
248 HG21 ILE 32 HG21 ILE 32 -9.124 8.682 4.642
249 HG22 ILE 32 HG22 ILE 32 -9.433 9.101 6.350
250 HG23 ILE 32 HG23 ILE 32 -7.882 9.501 5.592
251 HD11 ILE 32 HD11 ILE 32 -5.983 6.649 8.733
252 HD12 ILE 32 HD12 ILE 32 -7.539 5.825 8.504
253 HD13 ILE 32 HD13 ILE 32 -6.298 5.744 7.239
254 H THR 33 H THR 33 -9.640 5.606 3.744
255 HA THR 33 HA THR 33 -12.438 6.657 3.815
256 HB THR 33 HB THR 33 -10.747 8.139 2.741
257 HG1 THR 33 HG1 THR 33 -11.988 8.690 1.088
258 HG21 THR 33 HG21 THR 33 -10.753 6.124 0.482
259 HG22 THR 33 HG22 THR 33 -9.480 6.179 1.724
260 HG23 THR 33 HG23 THR 33 -9.750 7.574 0.665
261 H ASN 34 H ASN 34 -10.707 3.877 3.731
262 HA ASN 34 HA ASN 34 -11.107 1.774 3.191
263 HB2 ASN 34 HB2 ASN 34 -13.415 2.565 4.114
264 HB3 ASN 34 HB3 ASN 34 -13.953 2.340 2.458
265 HD21 ASN 34 HD21 ASN 34 -12.440 0.703 5.281
266 HD22 ASN 34 HD22 ASN 34 -12.717 -0.924 4.674
267 H ALA 35 H ALA 35 -10.102 3.495 1.160
268 HA ALA 35 HA ALA 35 -11.174 2.262 -1.348
269 HB1 ALA 35 HB1 ALA 35 -9.399 4.711 -0.940
270 HB2 ALA 35 HB2 ALA 35 -10.042 4.113 -2.484
271 HB3 ALA 35 HB3 ALA 35 -11.159 4.716 -1.239
272 H SER 36 H SER 36 -9.970 0.622 -2.121
273 HA SER 36 HA SER 36 -7.014 0.659 -1.712
274 HB2 SER 36 HB2 SER 36 -7.013 -1.668 -1.128
275 HB3 SER 36 HB3 SER 36 -7.978 -0.755 0.009
276 HG SER 36 HG SER 36 -9.269 -2.373 -0.313
277 H GLN 37 H GLN 37 -5.741 -0.145 -3.350
278 HA GLN 37 HA GLN 37 -6.580 -1.883 -5.346
279 HB2 GLN 37 HB2 GLN 37 -6.407 -0.232 -7.249
280 HB3 GLN 37 HB3 GLN 37 -7.874 -0.177 -6.309
281 HG2 GLN 37 HG2 GLN 37 -6.995 1.857 -5.118
282 HG3 GLN 37 HG3 GLN 37 -5.559 1.808 -6.142
283 HE21 GLN 37 HE21 GLN 37 -6.786 4.166 -6.359
284 HE22 GLN 37 HE22 GLN 37 -7.881 4.224 -7.729
285 H TRP 38 H TRP 38 -4.866 -1.883 -7.118
286 HA TRP 38 HA TRP 38 -2.183 -1.764 -5.964
287 HB2 TRP 38 HB2 TRP 38 -1.720 -2.701 -8.340
288 HB3 TRP 38 HB3 TRP 38 -2.652 -3.692 -7.232
289 HD1 TRP 38 HD1 TRP 38 -3.535 -1.044 -9.961
290 HE1 TRP 38 HE1 TRP 38 -5.659 -1.762 -11.156
291 HE3 TRP 38 HE3 TRP 38 -4.438 -5.424 -7.444
292 HZ2 TRP 38 HZ2 TRP 38 -7.469 -4.004 -11.134
293 HZ3 TRP 38 HZ3 TRP 38 -6.460 -6.783 -8.017
294 HH2 TRP 38 HH2 TRP 38 -7.944 -6.090 -9.855
295 H GLU 39 H GLU 39 -4.242 0.425 -7.575
296 HA GLU 39 HA GLU 39 -2.303 1.725 -9.287
297 HB2 GLU 39 HB2 GLU 39 -4.817 1.565 -9.662
298 HB3 GLU 39 HB3 GLU 39 -5.009 2.799 -8.423
299 HG2 GLU 39 HG2 GLU 39 -3.492 4.288 -9.729
300 HG3 GLU 39 HG3 GLU 39 -3.324 3.034 -10.967
301 H ARG 40 H ARG 40 -0.654 2.738 -8.329
302 HA ARG 40 HA ARG 40 -0.173 3.485 -5.779
303 HB2 ARG 40 HB2 ARG 40 0.819 4.630 -8.367
304 HB3 ARG 40 HB3 ARG 40 1.372 5.312 -6.832
305 HG2 ARG 40 HG2 ARG 40 2.444 3.360 -6.143
306 HG3 ARG 40 HG3 ARG 40 1.479 2.319 -7.202
307 HD2 ARG 40 HD2 ARG 40 3.526 4.268 -8.261
308 HD3 ARG 40 HD3 ARG 40 3.862 2.566 -7.903
309 HE ARG 40 HE ARG 40 1.658 2.315 -9.437
310 HH11 ARG 40 HH11 ARG 40 4.783 3.876 -10.081
311 HH12 ARG 40 HH12 ARG 40 4.418 4.149 -11.758
312 HH21 ARG 40 HH21 ARG 40 1.317 2.491 -11.713
313 HH22 ARG 40 HH22 ARG 40 2.514 3.295 -12.682
314 HA PRO 41 HA PRO 41 -3.125 6.744 -5.043
315 HB2 PRO 41 HB2 PRO 41 -2.736 7.125 -2.380
316 HB3 PRO 41 HB3 PRO 41 -3.411 5.612 -3.065
317 HG2 PRO 41 HG2 PRO 41 -0.488 6.104 -2.368
318 HG3 PRO 41 HG3 PRO 41 -1.587 4.863 -1.677
319 HD2 PRO 41 HD2 PRO 41 0.001 4.401 -3.878
320 HD3 PRO 41 HD3 PRO 41 -1.666 3.750 -3.844
321 H SER 42 H SER 42 -3.046 8.866 -3.654
322 HA SER 42 HA SER 42 -0.695 10.426 -3.501
323 HB2 SER 42 HB2 SER 42 -2.487 10.912 -5.915
324 HB3 SER 42 HB3 SER 42 -1.367 12.113 -5.256
325 HG SER 42 HG SER 42 -0.327 9.581 -5.773
326 H GLY 43 H GLY 43 -1.843 10.419 -1.412
327 HA2 GLY 43 HA2 GLY 43 -3.034 12.631 -0.559
328 HA3 GLY 43 HA3 GLY 43 -4.435 11.876 -1.344