Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
632999 | 6bl9 RC | 30372 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1HT GLU 1 -15.836 -1.814 -2.807
2 H2 GLU 1 2HT GLU 1 -15.121 -2.950 -1.767
3 H3 GLU 1 3HT GLU 1 -16.543 -3.345 -2.600
4 HA GLU 1 HA GLU 1 -14.634 -4.340 -3.646
5 HB2 GLU 1 HB2 GLU 1 -16.384 -3.535 -5.155
6 HB3 GLU 1 HB3 GLU 1 -15.682 -1.926 -5.125
7 HG2 GLU 1 HG2 GLU 1 -13.665 -2.835 -6.236
8 HG3 GLU 1 HG3 GLU 1 -14.475 -4.396 -6.348
9 H GLU 2 H GLU 2 -12.516 -4.302 -3.584
10 HA GLU 2 HA GLU 2 -11.187 -1.715 -3.345
11 HB2 GLU 2 HB2 GLU 2 -10.378 -4.404 -2.202
12 HB3 GLU 2 HB3 GLU 2 -9.342 -2.992 -2.211
13 HG2 GLU 2 HG2 GLU 2 -10.270 -3.214 -0.029
14 HG3 GLU 2 HG3 GLU 2 -11.027 -1.826 -0.793
15 H THR 3 H THR 3 -9.227 -1.508 -4.417
16 HA THR 3 HA THR 3 -8.774 -3.505 -6.496
17 HB THR 3 HB THR 3 -9.689 -1.410 -7.457
18 HG1 THR 3 HG1 THR 3 -8.417 -2.371 -8.842
19 HG21 THR 3 HG21 THR 3 -8.352 0.668 -7.432
20 HG22 THR 3 HG22 THR 3 -7.224 -0.088 -6.302
21 HG23 THR 3 HG23 THR 3 -8.897 0.205 -5.820
22 H GLU 4 H GLU 4 -6.653 -4.038 -6.904
23 HA GLU 4 HA GLU 4 -4.841 -3.515 -4.693
24 HB2 GLU 4 HB2 GLU 4 -4.542 -5.414 -7.040
25 HB3 GLU 4 HB3 GLU 4 -3.403 -5.258 -5.722
26 HG2 GLU 4 HG2 GLU 4 -4.609 -7.212 -5.266
27 HG3 GLU 4 HG3 GLU 4 -5.307 -6.004 -4.199
28 H GLU 5 H GLU 5 -2.958 -2.418 -4.902
29 HA GLU 5 HA GLU 5 -1.970 -1.735 -7.543
30 HB2 GLU 5 HB2 GLU 5 -3.550 0.075 -6.997
31 HB3 GLU 5 HB3 GLU 5 -2.704 0.363 -5.489
32 HG2 GLU 5 HG2 GLU 5 -2.180 2.014 -7.205
33 HG3 GLU 5 HG3 GLU 5 -0.747 1.120 -6.689
34 HA PRO 6 HA PRO 6 1.602 -2.570 -4.845
35 HB2 PRO 6 HB2 PRO 6 3.000 -3.021 -7.360
36 HB3 PRO 6 HB3 PRO 6 2.729 -4.143 -6.022
37 HG2 PRO 6 HG2 PRO 6 1.500 -4.427 -8.429
38 HG3 PRO 6 HG3 PRO 6 0.750 -4.928 -6.904
39 HD2 PRO 6 HD2 PRO 6 0.267 -2.458 -8.528
40 HD3 PRO 6 HD3 PRO 6 -0.891 -3.496 -7.667
41 H ILE 7 H ILE 7 2.309 -0.734 -4.162
42 HA ILE 7 HA ILE 7 3.244 1.395 -5.972
43 HB ILE 7 HB ILE 7 3.079 2.908 -4.027
44 HG12 ILE 7 HG12 ILE 7 2.296 0.535 -2.351
45 HG13 ILE 7 HG13 ILE 7 3.980 1.034 -2.464
46 HG21 ILE 7 HG21 ILE 7 0.841 2.657 -3.400
47 HG22 ILE 7 HG22 ILE 7 0.755 1.086 -4.213
48 HG23 ILE 7 HG23 ILE 7 1.067 2.558 -5.149
49 HD11 ILE 7 HD11 ILE 7 2.928 1.932 -0.509
50 HD12 ILE 7 HD12 ILE 7 1.695 2.716 -1.529
51 HD13 ILE 7 HD13 ILE 7 3.397 3.202 -1.649
52 H ARG 8 H ARG 8 5.230 2.516 -5.282
53 HA ARG 8 HA ARG 8 7.267 0.629 -4.409
54 HB2 ARG 8 HB2 ARG 8 7.593 3.451 -5.507
55 HB3 ARG 8 HB3 ARG 8 8.880 2.311 -5.123
56 HG2 ARG 8 HG2 ARG 8 8.171 0.826 -6.791
57 HG3 ARG 8 HG3 ARG 8 6.796 1.856 -7.222
58 HD2 ARG 8 HD2 ARG 8 8.388 3.619 -7.874
59 HD3 ARG 8 HD3 ARG 8 9.728 2.553 -7.442
60 HE ARG 8 HE ARG 8 8.138 1.171 -9.225
61 HH11 ARG 8 HH11 ARG 8 10.180 4.061 -9.329
62 HH12 ARG 8 HH12 ARG 8 10.489 3.918 -10.993
63 HH21 ARG 8 HH21 ARG 8 8.560 1.014 -11.465
64 HH22 ARG 8 HH22 ARG 8 9.549 2.180 -12.239
65 H HIS 9 H HIS 9 7.954 0.640 -2.437
66 HA HIS 9 HA HIS 9 7.365 2.923 -0.653
67 HB2 HIS 9 HB2 HIS 9 6.268 0.682 -0.139
68 HB3 HIS 9 HB3 HIS 9 7.882 0.023 0.080
69 HD1 HIS 9 HD3 HIS 9 9.255 1.082 2.216
70 HD2 HIS 9 HD2 HIS 9 5.192 1.875 2.012
71 HE1 HIS 9 HE1 HIS 9 8.588 1.927 4.501
72 H ALA 10 H ALA 10 9.121 3.599 0.680
73 HA ALA 10 HA ALA 10 11.707 2.772 -0.349
74 HB1 ALA 10 HB1 ALA 10 11.250 5.182 -0.185
75 HB2 ALA 10 HB2 ALA 10 12.625 4.702 0.813
76 HB3 ALA 10 HB3 ALA 10 11.059 5.021 1.562
77 H LYS 11 H LYS 11 11.578 0.647 0.597
78 HA LYS 11 HA LYS 11 13.083 0.335 2.923
79 HB2 LYS 11 HB2 LYS 11 10.641 0.881 3.766
80 HB3 LYS 11 HB3 LYS 11 10.241 -0.691 3.113
81 HG2 LYS 11 HG2 LYS 11 10.569 -0.990 5.421
82 HG3 LYS 11 HG3 LYS 11 12.026 -1.629 4.648
83 HD2 LYS 11 HD2 LYS 11 13.228 0.402 5.153
84 HD3 LYS 11 HD3 LYS 11 11.766 1.154 5.777
85 HE2 LYS 11 HE2 LYS 11 13.215 -1.217 6.949
86 HE3 LYS 11 HE3 LYS 11 13.170 0.410 7.610
87 HZ1 LYS 11 HZ1 LYS 11 11.595 -0.871 8.807
88 HZ2 LYS 11 HZ2 LYS 11 10.959 -1.545 7.439
89 HZ3 LYS 11 HZ3 LYS 11 10.623 0.052 7.780
90 H LYS 12 H LYS 12 13.868 -1.840 2.687
91 HA LYS 12 HA LYS 12 13.380 -3.084 0.205
92 HB2 LYS 12 HB2 LYS 12 15.509 -3.424 1.310
93 HB3 LYS 12 HB3 LYS 12 14.722 -4.147 2.702
94 HG2 LYS 12 HG2 LYS 12 14.078 -6.073 1.395
95 HG3 LYS 12 HG3 LYS 12 14.719 -5.329 -0.069
96 HD2 LYS 12 HD2 LYS 12 16.958 -5.428 0.798
97 HD3 LYS 12 HD3 LYS 12 16.372 -5.981 2.368
98 HE2 LYS 12 HE2 LYS 12 17.311 -7.809 1.002
99 HE3 LYS 12 HE3 LYS 12 15.622 -8.066 1.399
100 HZ1 LYS 12 HZ1 LYS 12 16.150 -8.611 -0.900
101 HZ2 LYS 12 HZ2 LYS 12 16.586 -7.012 -1.221
102 HZ3 LYS 12 HZ3 LYS 12 14.998 -7.401 -0.815
103 H ASN 13 H ASN 13 12.451 -4.054 3.457
104 HA ASN 13 HA ASN 13 10.105 -5.340 2.265
105 HB2 ASN 13 HB2 ASN 13 11.687 -7.124 2.968
106 HB3 ASN 13 HB3 ASN 13 11.656 -6.473 4.607
107 HD21 ASN 13 HD21 ASN 13 9.936 -8.274 2.218
108 HD22 ASN 13 HD22 ASN 13 8.662 -8.827 3.241
109 HA PRO 14 HA PRO 14 8.852 -2.270 5.396
110 HB2 PRO 14 HB2 PRO 14 6.561 -1.621 4.049
111 HB3 PRO 14 HB3 PRO 14 8.101 -0.786 3.831
112 HG2 PRO 14 HG2 PRO 14 6.821 -2.880 2.148
113 HG3 PRO 14 HG3 PRO 14 7.773 -1.471 1.660
114 HD2 PRO 14 HD2 PRO 14 8.749 -3.982 1.698
115 HD3 PRO 14 HD3 PRO 14 9.759 -2.555 1.981
116 H SER 15 H SER 15 7.433 -2.576 6.941
117 HA SER 15 HA SER 15 6.047 -5.049 7.124
118 HB2 SER 15 HB2 SER 15 5.717 -2.618 8.898
119 HB3 SER 15 HB3 SER 15 5.588 -4.327 9.336
120 HG SER 15 HG SER 15 7.868 -2.793 8.781
121 H GLU 16 H GLU 16 3.603 -5.064 7.455
122 HA GLU 16 HA GLU 16 2.420 -3.754 5.263
123 HB2 GLU 16 HB2 GLU 16 0.274 -4.665 6.009
124 HB3 GLU 16 HB3 GLU 16 1.541 -5.876 5.966
125 HG2 GLU 16 HG2 GLU 16 1.732 -5.846 8.338
126 HG3 GLU 16 HG3 GLU 16 0.621 -4.475 8.457
127 H GLY 17 H GLY 17 2.617 -2.912 8.593
128 HA2 GLY 17 HA2 GLY 17 0.683 -0.845 8.623
129 HA3 GLY 17 HA3 GLY 17 2.077 -0.973 9.697
130 H GLU 18 H GLU 18 4.137 -0.888 7.885
131 HA GLU 18 HA GLU 18 4.496 1.875 7.428
132 HB2 GLU 18 HB2 GLU 18 5.976 -0.471 6.186
133 HB3 GLU 18 HB3 GLU 18 6.527 1.195 6.169
134 HG2 GLU 18 HG2 GLU 18 6.739 1.147 8.605
135 HG3 GLU 18 HG3 GLU 18 6.171 -0.518 8.627
136 H CYS 19 H CYS 19 3.751 -0.849 5.346
137 HA CYS 19 HA CYS 19 3.494 0.486 2.929
138 HB2 CYS 19 HB2 CYS 19 2.102 -1.987 3.935
139 HB3 CYS 19 HB3 CYS 19 1.981 -1.410 2.284
140 H LYS 20 H LYS 20 0.956 -0.200 5.395
141 HA LYS 20 HA LYS 20 -1.126 0.942 3.925
142 HB2 LYS 20 HB2 LYS 20 -0.841 0.676 6.913
143 HB3 LYS 20 HB3 LYS 20 -2.278 1.311 6.130
144 HG2 LYS 20 HG2 LYS 20 -2.513 -0.848 4.927
145 HG3 LYS 20 HG3 LYS 20 -1.138 -1.461 5.845
146 HD2 LYS 20 HD2 LYS 20 -3.169 -2.198 6.904
147 HD3 LYS 20 HD3 LYS 20 -2.391 -0.998 7.938
148 HE2 LYS 20 HE2 LYS 20 -3.952 0.722 7.015
149 HE3 LYS 20 HE3 LYS 20 -4.744 -0.548 6.093
150 HZ1 LYS 20 HZ1 LYS 20 -5.257 -1.642 8.248
151 HZ2 LYS 20 HZ2 LYS 20 -5.967 -0.147 8.044
152 HZ3 LYS 20 HZ3 LYS 20 -4.628 -0.280 9.046
153 H LYS 21 H LYS 21 1.145 2.420 6.156
154 HA LYS 21 HA LYS 21 -0.118 4.927 6.100
155 HB2 LYS 21 HB2 LYS 21 1.529 4.316 7.841
156 HB3 LYS 21 HB3 LYS 21 2.802 4.334 6.630
157 HG2 LYS 21 HG2 LYS 21 2.840 6.385 7.921
158 HG3 LYS 21 HG3 LYS 21 2.396 6.722 6.248
159 HD2 LYS 21 HD2 LYS 21 -0.003 6.733 6.941
160 HD3 LYS 21 HD3 LYS 21 0.526 6.554 8.614
161 HE2 LYS 21 HE2 LYS 21 1.212 8.819 6.754
162 HE3 LYS 21 HE3 LYS 21 0.015 8.884 8.042
163 HZ1 LYS 21 HZ1 LYS 21 1.759 8.543 9.650
164 HZ2 LYS 21 HZ2 LYS 21 2.155 9.879 8.665
165 HZ3 LYS 21 HZ3 LYS 21 2.916 8.406 8.434
166 H ALA 22 H ALA 22 2.440 3.526 4.110
167 HA ALA 22 HA ALA 22 2.923 5.855 2.568
168 HB1 ALA 22 HB1 ALA 22 4.502 3.980 2.671
169 HB2 ALA 22 HB2 ALA 22 4.067 4.388 1.010
170 HB3 ALA 22 HB3 ALA 22 3.344 2.980 1.793
171 H CYS 23 H CYS 23 0.822 3.055 2.057
172 HA CYS 23 HA CYS 23 -0.226 3.806 -0.427
173 HB2 CYS 23 HB2 CYS 23 -1.595 2.302 1.811
174 HB3 CYS 23 HB3 CYS 23 -2.168 2.384 0.151
175 H ALA 24 H ALA 24 -1.116 4.695 2.846
176 HA ALA 24 HA ALA 24 -3.405 6.173 2.178
177 HB1 ALA 24 HB1 ALA 24 -2.904 5.418 4.425
178 HB2 ALA 24 HB2 ALA 24 -3.157 7.167 4.386
179 HB3 ALA 24 HB3 ALA 24 -1.520 6.508 4.506
180 H ASP 25 H ASP 25 -0.095 7.239 2.941
181 HA ASP 25 HA ASP 25 -0.366 9.934 2.408
182 HB2 ASP 25 HB2 ASP 25 1.945 8.078 2.356
183 HB3 ASP 25 HB3 ASP 25 2.157 9.647 1.602
184 H ALA 26 H ALA 26 0.558 7.424 0.100
185 HA ALA 26 HA ALA 26 0.831 9.310 -2.019
186 HB1 ALA 26 HB1 ALA 26 0.700 6.309 -2.174
187 HB2 ALA 26 HB2 ALA 26 2.162 7.257 -1.910
188 HB3 ALA 26 HB3 ALA 26 1.280 7.402 -3.431
189 H PHE 27 H PHE 27 -1.969 7.789 -0.709
190 HA PHE 27 HA PHE 27 -3.274 8.214 -3.309
191 HB2 PHE 27 HB2 PHE 27 -3.682 5.960 -1.399
192 HB3 PHE 27 HB3 PHE 27 -4.963 6.428 -2.514
193 HD1 PHE 27 HD1 PHE 27 -1.751 4.669 -2.187
194 HD2 PHE 27 HD2 PHE 27 -4.532 6.415 -4.926
195 HE1 PHE 27 HE1 PHE 27 -0.760 3.430 -4.004
196 HE2 PHE 27 HE2 PHE 27 -3.512 5.174 -6.737
197 HZ PHE 27 HZ PHE 27 -1.606 3.673 -6.292
198 H ALA 28 H ALA 28 -3.617 8.643 0.106
199 HA ALA 28 HA ALA 28 -5.951 10.332 -0.435
200 HB1 ALA 28 HB1 ALA 28 -6.653 8.192 0.575
201 HB2 ALA 28 HB2 ALA 28 -6.977 9.582 1.596
202 HB3 ALA 28 HB3 ALA 28 -5.605 8.530 1.955
203 H ASN 29 H ASN 29 -2.931 10.589 0.134
204 HA ASN 29 HA ASN 29 -1.535 12.074 1.080
205 HB2 ASN 29 HB2 ASN 29 -4.115 13.592 1.489
206 HB3 ASN 29 HB3 ASN 29 -2.549 14.267 1.905
207 HD21 ASN 29 HD21 ASN 29 -2.795 15.905 0.411
208 HD22 ASN 29 HD22 ASN 29 -2.654 15.663 -1.285
209 H GLY 30 H GLY 30 -2.801 9.971 2.753
210 HA2 GLY 30 HA2 GLY 30 -1.544 9.674 4.911
211 HA3 GLY 30 HA3 GLY 30 -2.253 11.215 5.368
212 H ASP 31 H ASP 31 -4.788 10.286 3.914
213 HA ASP 31 HA ASP 31 -5.982 9.197 6.289
214 HB2 ASP 31 HB2 ASP 31 -7.312 10.712 4.941
215 HB3 ASP 31 HB3 ASP 31 -7.214 9.616 3.563
216 H GLN 32 H GLN 32 -6.284 7.196 6.869
217 HA GLN 32 HA GLN 32 -5.499 5.140 4.972
218 HB2 GLN 32 HB2 GLN 32 -5.856 5.015 7.952
219 HB3 GLN 32 HB3 GLN 32 -5.276 3.704 6.934
220 HG2 GLN 32 HG2 GLN 32 -3.374 5.104 6.274
221 HG3 GLN 32 HG3 GLN 32 -3.937 6.348 7.380
222 HE21 GLN 32 HE21 GLN 32 -1.486 4.813 7.298
223 HE22 GLN 32 HE22 GLN 32 -1.332 4.041 8.832
224 H SER 33 H SER 33 -8.354 6.514 5.436
225 HA SER 33 HA SER 33 -9.821 4.079 6.001
226 HB2 SER 33 HB2 SER 33 -10.528 6.246 7.055
227 HB3 SER 33 HB3 SER 33 -10.861 6.883 5.447
228 HG SER 33 HG SER 33 -12.059 4.486 5.892
229 H LYS 34 H LYS 34 -8.543 5.773 3.423
230 HA LYS 34 HA LYS 34 -10.391 4.777 1.407
231 HB2 LYS 34 HB2 LYS 34 -9.251 6.985 1.170
232 HB3 LYS 34 HB3 LYS 34 -7.703 6.163 1.138
233 HG2 LYS 34 HG2 LYS 34 -8.318 5.088 -0.977
234 HG3 LYS 34 HG3 LYS 34 -9.883 5.901 -0.935
235 HD2 LYS 34 HD2 LYS 34 -8.742 8.084 -1.001
236 HD3 LYS 34 HD3 LYS 34 -7.189 7.248 -1.027
237 HE2 LYS 34 HE2 LYS 34 -7.722 6.241 -3.156
238 HE3 LYS 34 HE3 LYS 34 -9.317 6.994 -3.131
239 HZ1 LYS 34 HZ1 LYS 34 -7.653 8.192 -4.505
240 HZ2 LYS 34 HZ2 LYS 34 -6.790 8.580 -3.105
241 HZ3 LYS 34 HZ3 LYS 34 -8.365 9.121 -3.311
242 H ILE 35 H ILE 35 -7.897 3.568 3.208
243 HA ILE 35 HA ILE 35 -7.114 1.591 1.174
244 HB ILE 35 HB ILE 35 -5.499 2.601 3.541
245 HG12 ILE 35 HG12 ILE 35 -5.578 4.268 1.752
246 HG13 ILE 35 HG13 ILE 35 -3.968 3.574 1.867
247 HG21 ILE 35 HG21 ILE 35 -3.645 1.258 2.660
248 HG22 ILE 35 HG22 ILE 35 -4.717 0.608 1.420
249 HG23 ILE 35 HG23 ILE 35 -5.026 0.258 3.119
250 HD11 ILE 35 HD11 ILE 35 -4.608 3.870 -0.447
251 HD12 ILE 35 HD12 ILE 35 -6.061 2.909 -0.198
252 HD13 ILE 35 HD13 ILE 35 -4.474 2.150 -0.081
253 H ALA 36 H ALA 36 -7.785 -0.399 1.610
254 HA ALA 36 HA ALA 36 -9.106 -1.022 4.090
255 HB1 ALA 36 HB1 ALA 36 -8.406 -2.827 1.769
256 HB2 ALA 36 HB2 ALA 36 -9.920 -1.944 1.966
257 HB3 ALA 36 HB3 ALA 36 -9.494 -3.228 3.095
258 H LYS 37 H LYS 37 -6.180 -2.094 2.440
259 HA LYS 37 HA LYS 37 -4.763 -2.477 4.858
260 HB2 LYS 37 HB2 LYS 37 -6.180 -4.627 4.663
261 HB3 LYS 37 HB3 LYS 37 -5.300 -4.969 3.183
262 HG2 LYS 37 HG2 LYS 37 -3.193 -5.064 4.464
263 HG3 LYS 37 HG3 LYS 37 -4.084 -4.735 5.950
264 HD2 LYS 37 HD2 LYS 37 -5.406 -6.820 5.506
265 HD3 LYS 37 HD3 LYS 37 -4.320 -7.149 4.159
266 HE2 LYS 37 HE2 LYS 37 -3.461 -6.838 7.044
267 HE3 LYS 37 HE3 LYS 37 -3.711 -8.377 6.234
268 HZ1 LYS 37 HZ1 LYS 37 -1.815 -8.022 4.870
269 HZ2 LYS 37 HZ2 LYS 37 -1.366 -7.525 6.413
270 HZ3 LYS 37 HZ3 LYS 37 -1.739 -6.376 5.266
271 H ALA 38 H ALA 38 -2.548 -3.345 4.190
272 HA ALA 38 HA ALA 38 -1.928 -3.198 1.407
273 HB1 ALA 38 HB1 ALA 38 -1.630 -0.877 2.158
274 HB2 ALA 38 HB2 ALA 38 -0.080 -1.645 1.827
275 HB3 ALA 38 HB3 ALA 38 -0.623 -1.441 3.495
276 H GLU 39 H GLU 39 0.085 -4.289 1.104
277 HA GLU 39 HA GLU 39 1.304 -5.490 3.463
278 HB2 GLU 39 HB2 GLU 39 -0.771 -6.812 2.887
279 HB3 GLU 39 HB3 GLU 39 -0.015 -7.211 1.359
280 HG2 GLU 39 HG2 GLU 39 1.636 -8.519 2.429
281 HG3 GLU 39 HG3 GLU 39 1.185 -7.902 4.021
282 H ASN 40 H ASN 40 3.312 -6.665 2.869
283 HA ASN 40 HA ASN 40 4.653 -5.319 0.780
284 HB2 ASN 40 HB2 ASN 40 5.935 -6.106 2.711
285 HB3 ASN 40 HB3 ASN 40 5.538 -7.777 2.318
286 HD21 ASN 40 HD21 ASN 40 7.299 -4.971 1.276
287 HD22 ASN 40 HD22 ASN 40 8.402 -5.793 0.220
288 H PHE 41 H PHE 41 4.771 -5.684 -1.224
289 HA PHE 41 HA PHE 41 3.485 -8.043 -2.340
290 HB2 PHE 41 HB2 PHE 41 2.809 -5.830 -3.167
291 HB3 PHE 41 HB3 PHE 41 4.471 -5.463 -3.585
292 HD1 PHE 41 HD1 PHE 41 1.496 -7.413 -4.503
293 HD2 PHE 41 HD2 PHE 41 5.459 -6.309 -5.604
294 HE1 PHE 41 HE1 PHE 41 1.113 -8.278 -6.766
295 HE2 PHE 41 HE2 PHE 41 5.089 -7.183 -7.852
296 HZ PHE 41 HZ PHE 41 2.907 -8.168 -8.448
297 H LYS 42 H LYS 42 6.524 -6.241 -2.416
298 HA LYS 42 HA LYS 42 8.118 -8.494 -2.907
299 HB2 LYS 42 HB2 LYS 42 7.031 -8.067 -5.182
300 HB3 LYS 42 HB3 LYS 42 7.802 -6.497 -5.193
301 HG2 LYS 42 HG2 LYS 42 9.974 -7.510 -5.333
302 HG3 LYS 42 HG3 LYS 42 9.270 -9.106 -5.052
303 HD2 LYS 42 HD2 LYS 42 8.033 -8.930 -7.165
304 HD3 LYS 42 HD3 LYS 42 8.757 -7.350 -7.448
305 HE2 LYS 42 HE2 LYS 42 9.849 -9.237 -8.675
306 HE3 LYS 42 HE3 LYS 42 10.945 -8.306 -7.672
307 HZ1 LYS 42 HZ1 LYS 42 9.733 -10.919 -6.863
308 HZ2 LYS 42 HZ2 LYS 42 10.892 -10.036 -6.013
309 HZ3 LYS 42 HZ3 LYS 42 11.283 -10.712 -7.484
310 H ASP 43 H ASP 43 10.440 -7.322 -3.549
311 HA ASP 43 HA ASP 43 11.082 -5.697 -1.367
312 HB2 ASP 43 HB2 ASP 43 12.568 -6.020 -3.971
313 HB3 ASP 43 HB3 ASP 43 13.213 -5.251 -2.529
314 H TYR 44 H TYR 44 10.765 -3.694 -0.987
315 HA TYR 44 HA TYR 44 10.266 -1.504 -1.150
316 HB2 TYR 44 HB2 TYR 44 11.478 -1.754 -3.921
317 HB3 TYR 44 HB3 TYR 44 11.013 -0.226 -3.188
318 HD1 TYR 44 HD1 TYR 44 12.430 0.833 -1.558
319 HD2 TYR 44 HD2 TYR 44 13.359 -3.057 -2.982
320 HE1 TYR 44 HE1 TYR 44 14.660 1.005 -0.543
321 HE2 TYR 44 HE2 TYR 44 15.582 -2.912 -1.973
322 HH TYR 44 HH TYR 44 16.449 -0.517 0.253
323 H TYR 45 H TYR 45 8.367 -3.655 -2.224
324 HA TYR 45 HA TYR 45 6.508 -1.737 -3.459
325 HB2 TYR 45 HB2 TYR 45 6.897 -4.627 -4.252
326 HB3 TYR 45 HB3 TYR 45 5.524 -3.646 -4.747
327 HD1 TYR 45 HD1 TYR 45 6.166 -1.391 -5.895
328 HD2 TYR 45 HD2 TYR 45 8.733 -4.762 -5.675
329 HE1 TYR 45 HE1 TYR 45 7.414 -0.563 -7.822
330 HE2 TYR 45 HE2 TYR 45 9.989 -3.948 -7.598
331 HH TYR 45 HH TYR 45 9.567 -2.422 -9.563
332 H CYS 46 H CYS 46 4.623 -1.603 -2.650
333 HA CYS 46 HA CYS 46 3.720 -3.673 -0.757
334 HB2 CYS 46 HB2 CYS 46 3.251 -0.689 -0.593
335 HB3 CYS 46 HB3 CYS 46 2.502 -1.893 0.447
336 H ASN 47 H ASN 47 1.761 -4.482 -1.161
337 HA ASN 47 HA ASN 47 0.314 -3.421 -3.449
338 HB2 ASN 47 HB2 ASN 47 0.609 -5.892 -3.248
339 HB3 ASN 47 HB3 ASN 47 -0.305 -5.854 -1.741
340 HD21 ASN 47 HD21 ASN 47 -2.575 -5.552 -1.826
341 HD22 ASN 47 HD22 ASN 47 -3.430 -5.653 -3.318
342 H CYS 48 H CYS 48 -0.970 -1.824 -3.064
343 HA CYS 48 HA CYS 48 -2.184 -1.479 -0.466
344 HB2 CYS 48 HB2 CYS 48 -2.379 0.273 -2.942
345 HB3 CYS 48 HB3 CYS 48 -2.820 0.681 -1.285
346 H HIS 49 H HIS 49 -4.343 -1.652 -0.099
347 HA HIS 49 HA HIS 49 -5.993 -2.690 -2.282
348 HB2 HIS 49 HB2 HIS 49 -6.328 -2.979 0.730
349 HB3 HIS 49 HB3 HIS 49 -7.430 -3.629 -0.476
350 HD1 HIS 49 HD3 HIS 49 -7.031 -6.035 -0.991
351 HD2 HIS 49 HD2 HIS 49 -3.615 -4.155 0.420
352 HE1 HIS 49 HE1 HIS 49 -5.300 -7.842 -0.764
353 H ILE 50 H ILE 50 -6.829 -0.923 -3.091
354 HA ILE 50 HA ILE 50 -7.446 1.310 -1.331
355 HB ILE 50 HB ILE 50 -7.774 1.303 -4.333
356 HG12 ILE 50 HG12 ILE 50 -5.225 1.988 -2.841
357 HG13 ILE 50 HG13 ILE 50 -5.470 0.468 -3.690
358 HG21 ILE 50 HG21 ILE 50 -7.085 3.386 -2.273
359 HG22 ILE 50 HG22 ILE 50 -8.671 3.182 -3.026
360 HG23 ILE 50 HG23 ILE 50 -7.282 3.703 -4.000
361 HD11 ILE 50 HD11 ILE 50 -4.184 2.026 -5.026
362 HD12 ILE 50 HD12 ILE 50 -5.493 3.208 -4.935
363 HD13 ILE 50 HD13 ILE 50 -5.738 1.680 -5.783
364 H ILE 51 H ILE 51 -9.434 1.653 -0.661
365 HA ILE 51 HA ILE 51 -11.616 -0.001 -1.592
366 HB ILE 51 HB ILE 51 -11.645 2.268 0.425
367 HG12 ILE 51 HG12 ILE 51 -11.400 -0.702 0.942
368 HG13 ILE 51 HG13 ILE 51 -10.069 0.445 1.065
369 HG21 ILE 51 HG21 ILE 51 -13.854 1.708 -0.449
370 HG22 ILE 51 HG22 ILE 51 -13.714 1.192 1.234
371 HG23 ILE 51 HG23 ILE 51 -13.590 0.006 -0.065
372 HD11 ILE 51 HD11 ILE 51 -10.957 -0.099 3.247
373 HD12 ILE 51 HD12 ILE 51 -12.566 0.396 2.733
374 HD13 ILE 51 HD13 ILE 51 -11.278 1.596 2.871
375 H ILE 52 H ILE 52 -12.745 0.603 -3.289
376 HA ILE 52 HA ILE 52 -12.754 3.386 -4.131
377 HB ILE 52 HB ILE 52 -14.215 1.027 -5.386
378 HG12 ILE 52 HG12 ILE 52 -11.470 2.093 -6.095
379 HG13 ILE 52 HG13 ILE 52 -11.755 0.616 -5.182
380 HG21 ILE 52 HG21 ILE 52 -13.333 3.711 -6.479
381 HG22 ILE 52 HG22 ILE 52 -14.995 3.220 -6.130
382 HG23 ILE 52 HG23 ILE 52 -14.091 2.432 -7.422
383 HD11 ILE 52 HD11 ILE 52 -12.913 -0.337 -7.108
384 HD12 ILE 52 HD12 ILE 52 -11.261 0.145 -7.502
385 HD13 ILE 52 HD13 ILE 52 -12.620 1.149 -8.011
386 H HIS 53 H HIS 53 -15.211 0.844 -3.699
387 HA HIS 53 HA HIS 53 -16.563 1.676 -1.600
388 HB2 HIS 53 HB2 HIS 53 -18.670 2.636 -2.530
389 HB3 HIS 53 HB3 HIS 53 -17.335 3.731 -2.827
390 HD1 HIS 53 HD3 HIS 53 -19.905 1.651 -4.544
391 HD2 HIS 53 HD2 HIS 53 -16.673 4.058 -5.518
392 HE1 HIS 53 HE1 HIS 53 -20.107 2.121 -7.028
Start of MODEL 2
1 H1 GLU 1 1HT GLU 1 -15.296 -4.034 -2.289
2 H2 GLU 1 2HT GLU 1 -16.591 -4.319 -3.346
3 H3 GLU 1 3HT GLU 1 -16.057 -2.742 -3.072
4 HA GLU 1 HA GLU 1 -14.544 -4.906 -4.331
5 HB2 GLU 1 HB2 GLU 1 -16.298 -4.032 -5.801
6 HB3 GLU 1 HB3 GLU 1 -15.726 -2.392 -5.517
7 HG2 GLU 1 HG2 GLU 1 -13.669 -2.842 -6.650
8 HG3 GLU 1 HG3 GLU 1 -14.064 -4.553 -6.781
9 H GLU 2 H GLU 2 -12.624 -4.827 -3.819
10 HA GLU 2 HA GLU 2 -11.275 -2.344 -3.078
11 HB2 GLU 2 HB2 GLU 2 -11.678 -4.203 -1.445
12 HB3 GLU 2 HB3 GLU 2 -10.736 -5.242 -2.485
13 HG2 GLU 2 HG2 GLU 2 -8.788 -3.826 -2.085
14 HG3 GLU 2 HG3 GLU 2 -9.766 -2.834 -1.001
15 H THR 3 H THR 3 -9.224 -2.052 -4.125
16 HA THR 3 HA THR 3 -8.677 -3.923 -6.312
17 HB THR 3 HB THR 3 -8.613 -0.901 -6.474
18 HG1 THR 3 HG1 THR 3 -10.519 -2.765 -6.719
19 HG21 THR 3 HG21 THR 3 -6.978 -2.046 -7.978
20 HG22 THR 3 HG22 THR 3 -8.267 -1.245 -8.871
21 HG23 THR 3 HG23 THR 3 -8.302 -2.994 -8.654
22 H GLU 4 H GLU 4 -6.526 -4.292 -6.777
23 HA GLU 4 HA GLU 4 -4.659 -3.708 -4.646
24 HB2 GLU 4 HB2 GLU 4 -4.010 -5.133 -7.211
25 HB3 GLU 4 HB3 GLU 4 -3.280 -5.336 -5.633
26 HG2 GLU 4 HG2 GLU 4 -5.971 -6.328 -6.545
27 HG3 GLU 4 HG3 GLU 4 -4.541 -7.280 -6.186
28 H GLU 5 H GLU 5 -3.151 -2.133 -4.805
29 HA GLU 5 HA GLU 5 -2.243 -1.318 -7.466
30 HB2 GLU 5 HB2 GLU 5 -3.889 0.356 -6.665
31 HB3 GLU 5 HB3 GLU 5 -2.907 0.612 -5.233
32 HG2 GLU 5 HG2 GLU 5 -2.570 2.396 -6.839
33 HG3 GLU 5 HG3 GLU 5 -1.086 1.469 -6.626
34 HA PRO 6 HA PRO 6 1.504 -2.174 -5.055
35 HB2 PRO 6 HB2 PRO 6 2.855 -2.147 -7.616
36 HB3 PRO 6 HB3 PRO 6 2.626 -3.493 -6.501
37 HG2 PRO 6 HG2 PRO 6 1.390 -3.361 -8.921
38 HG3 PRO 6 HG3 PRO 6 0.693 -4.185 -7.522
39 HD2 PRO 6 HD2 PRO 6 0.064 -1.482 -8.633
40 HD3 PRO 6 HD3 PRO 6 -1.015 -2.736 -7.977
41 H ILE 7 H ILE 7 2.272 -0.415 -4.109
42 HA ILE 7 HA ILE 7 3.148 1.874 -5.744
43 HB ILE 7 HB ILE 7 3.043 3.247 -3.709
44 HG12 ILE 7 HG12 ILE 7 2.198 0.807 -2.174
45 HG13 ILE 7 HG13 ILE 7 3.900 1.243 -2.283
46 HG21 ILE 7 HG21 ILE 7 0.798 3.065 -3.110
47 HG22 ILE 7 HG22 ILE 7 0.665 1.514 -3.954
48 HG23 ILE 7 HG23 ILE 7 1.032 2.993 -4.859
49 HD11 ILE 7 HD11 ILE 7 2.909 2.063 -0.262
50 HD12 ILE 7 HD12 ILE 7 1.698 2.955 -1.214
51 HD13 ILE 7 HD13 ILE 7 3.416 3.378 -1.328
52 H ARG 8 H ARG 8 5.157 2.903 -4.992
53 HA ARG 8 HA ARG 8 7.186 0.845 -4.555
54 HB2 ARG 8 HB2 ARG 8 7.598 3.778 -5.191
55 HB3 ARG 8 HB3 ARG 8 8.752 2.450 -5.328
56 HG2 ARG 8 HG2 ARG 8 7.574 1.480 -7.115
57 HG3 ARG 8 HG3 ARG 8 6.259 2.648 -6.961
58 HD2 ARG 8 HD2 ARG 8 7.857 4.445 -7.514
59 HD3 ARG 8 HD3 ARG 8 9.113 3.220 -7.742
60 HE ARG 8 HE ARG 8 7.023 2.418 -9.293
61 HH11 ARG 8 HH11 ARG 8 9.088 5.301 -9.211
62 HH12 ARG 8 HH12 ARG 8 8.899 5.632 -10.860
63 HH21 ARG 8 HH21 ARG 8 6.765 2.864 -11.497
64 HH22 ARG 8 HH22 ARG 8 7.544 4.205 -12.214
65 H HIS 9 H HIS 9 8.437 0.779 -2.716
66 HA HIS 9 HA HIS 9 8.079 2.917 -0.749
67 HB2 HIS 9 HB2 HIS 9 6.595 0.883 -0.284
68 HB3 HIS 9 HB3 HIS 9 8.076 -0.036 -0.065
69 HD1 HIS 9 HD3 HIS 9 9.463 0.492 2.135
70 HD2 HIS 9 HD2 HIS 9 5.865 2.515 1.779
71 HE1 HIS 9 HE1 HIS 9 8.975 1.463 4.419
72 H ALA 10 H ALA 10 9.939 3.247 0.502
73 HA ALA 10 HA ALA 10 12.388 2.388 -0.773
74 HB1 ALA 10 HB1 ALA 10 11.953 4.272 1.535
75 HB2 ALA 10 HB2 ALA 10 12.027 4.728 -0.167
76 HB3 ALA 10 HB3 ALA 10 13.450 4.053 0.630
77 H LYS 11 H LYS 11 11.090 0.221 0.622
78 HA LYS 11 HA LYS 11 13.251 -0.529 2.307
79 HB2 LYS 11 HB2 LYS 11 11.715 0.531 3.932
80 HB3 LYS 11 HB3 LYS 11 10.400 -0.477 3.354
81 HG2 LYS 11 HG2 LYS 11 11.486 -2.448 4.194
82 HG3 LYS 11 HG3 LYS 11 12.898 -1.501 4.672
83 HD2 LYS 11 HD2 LYS 11 11.568 -0.267 6.262
84 HD3 LYS 11 HD3 LYS 11 10.106 -1.097 5.737
85 HE2 LYS 11 HE2 LYS 11 11.042 -3.225 6.514
86 HE3 LYS 11 HE3 LYS 11 12.510 -2.394 7.027
87 HZ1 LYS 11 HZ1 LYS 11 10.921 -2.800 8.847
88 HZ2 LYS 11 HZ2 LYS 11 9.800 -1.777 8.086
89 HZ3 LYS 11 HZ3 LYS 11 11.269 -1.174 8.624
90 H LYS 12 H LYS 12 13.593 -2.643 2.088
91 HA LYS 12 HA LYS 12 12.715 -3.994 -0.147
92 HB2 LYS 12 HB2 LYS 12 14.787 -4.479 1.056
93 HB3 LYS 12 HB3 LYS 12 13.870 -5.105 2.412
94 HG2 LYS 12 HG2 LYS 12 13.006 -6.894 0.944
95 HG3 LYS 12 HG3 LYS 12 14.050 -6.287 -0.346
96 HD2 LYS 12 HD2 LYS 12 16.014 -6.659 1.076
97 HD3 LYS 12 HD3 LYS 12 14.964 -7.242 2.359
98 HE2 LYS 12 HE2 LYS 12 16.012 -9.090 1.129
99 HE3 LYS 12 HE3 LYS 12 14.256 -9.106 1.005
100 HZ1 LYS 12 HZ1 LYS 12 16.019 -7.977 -1.114
101 HZ2 LYS 12 HZ2 LYS 12 14.345 -8.313 -1.181
102 HZ3 LYS 12 HZ3 LYS 12 15.436 -9.560 -1.099
103 H ASN 13 H ASN 13 11.857 -4.673 3.192
104 HA ASN 13 HA ASN 13 9.271 -5.674 2.294
105 HB2 ASN 13 HB2 ASN 13 11.002 -7.064 4.365
106 HB3 ASN 13 HB3 ASN 13 9.337 -7.488 3.996
107 HD21 ASN 13 HD21 ASN 13 8.897 -8.443 1.951
108 HD22 ASN 13 HD22 ASN 13 10.162 -9.213 1.051
109 HA PRO 14 HA PRO 14 8.719 -2.641 5.573
110 HB2 PRO 14 HB2 PRO 14 6.321 -1.860 4.168
111 HB3 PRO 14 HB3 PRO 14 7.796 -0.925 4.417
112 HG2 PRO 14 HG2 PRO 14 7.000 -1.854 1.976
113 HG3 PRO 14 HG3 PRO 14 8.694 -1.566 2.409
114 HD2 PRO 14 HD2 PRO 14 7.158 -4.128 2.345
115 HD3 PRO 14 HD3 PRO 14 8.822 -3.779 1.806
116 H SER 15 H SER 15 7.187 -2.500 7.167
117 HA SER 15 HA SER 15 5.623 -4.866 7.495
118 HB2 SER 15 HB2 SER 15 5.090 -3.816 9.732
119 HB3 SER 15 HB3 SER 15 6.806 -4.100 9.426
120 HG SER 15 HG SER 15 7.042 -1.938 8.913
121 H GLU 16 H GLU 16 3.349 -4.613 8.346
122 HA GLU 16 HA GLU 16 1.703 -3.587 6.377
123 HB2 GLU 16 HB2 GLU 16 1.059 -4.274 9.243
124 HB3 GLU 16 HB3 GLU 16 -0.149 -3.906 8.019
125 HG2 GLU 16 HG2 GLU 16 0.556 -5.825 6.707
126 HG3 GLU 16 HG3 GLU 16 1.829 -6.176 7.872
127 H GLY 17 H GLY 17 2.569 -2.138 9.486
128 HA2 GLY 17 HA2 GLY 17 0.927 0.132 9.354
129 HA3 GLY 17 HA3 GLY 17 2.426 0.013 10.262
130 H GLU 18 H GLU 18 4.234 -0.372 8.227
131 HA GLU 18 HA GLU 18 4.732 2.266 7.363
132 HB2 GLU 18 HB2 GLU 18 5.924 -0.336 6.389
133 HB3 GLU 18 HB3 GLU 18 6.557 1.261 6.023
134 HG2 GLU 18 HG2 GLU 18 7.044 1.636 8.356
135 HG3 GLU 18 HG3 GLU 18 6.319 0.085 8.778
136 H CYS 19 H CYS 19 3.727 -0.645 5.599
137 HA CYS 19 HA CYS 19 3.450 0.607 3.125
138 HB2 CYS 19 HB2 CYS 19 2.165 -1.905 4.186
139 HB3 CYS 19 HB3 CYS 19 1.941 -1.346 2.538
140 H LYS 20 H LYS 20 0.933 0.049 5.664
141 HA LYS 20 HA LYS 20 -1.050 1.111 3.983
142 HB2 LYS 20 HB2 LYS 20 -2.570 1.093 5.849
143 HB3 LYS 20 HB3 LYS 20 -1.645 -0.391 5.839
144 HG2 LYS 20 HG2 LYS 20 -0.176 0.750 7.609
145 HG3 LYS 20 HG3 LYS 20 -1.497 1.916 7.742
146 HD2 LYS 20 HD2 LYS 20 -1.760 -1.085 8.107
147 HD3 LYS 20 HD3 LYS 20 -1.690 0.088 9.409
148 HE2 LYS 20 HE2 LYS 20 -3.826 0.195 7.284
149 HE3 LYS 20 HE3 LYS 20 -3.992 -0.807 8.716
150 HZ1 LYS 20 HZ1 LYS 20 -3.643 2.176 8.746
151 HZ2 LYS 20 HZ2 LYS 20 -3.767 1.161 10.073
152 HZ3 LYS 20 HZ3 LYS 20 -5.071 1.317 9.043
153 H LYS 21 H LYS 21 1.083 2.674 6.298
154 HA LYS 21 HA LYS 21 -0.277 5.134 5.983
155 HB2 LYS 21 HB2 LYS 21 1.074 4.921 7.944
156 HB3 LYS 21 HB3 LYS 21 2.520 4.587 6.996
157 HG2 LYS 21 HG2 LYS 21 2.694 6.788 6.280
158 HG3 LYS 21 HG3 LYS 21 1.027 7.158 6.682
159 HD2 LYS 21 HD2 LYS 21 1.582 7.012 9.054
160 HD3 LYS 21 HD3 LYS 21 3.254 6.620 8.640
161 HE2 LYS 21 HE2 LYS 21 2.853 9.031 9.221
162 HE3 LYS 21 HE3 LYS 21 3.599 8.761 7.650
163 HZ1 LYS 21 HZ1 LYS 21 1.575 9.244 6.548
164 HZ2 LYS 21 HZ2 LYS 21 1.716 10.451 7.728
165 HZ3 LYS 21 HZ3 LYS 21 0.662 9.178 7.955
166 H ALA 22 H ALA 22 2.385 3.647 4.256
167 HA ALA 22 HA ALA 22 3.064 5.870 2.664
168 HB1 ALA 22 HB1 ALA 22 4.105 4.232 1.171
169 HB2 ALA 22 HB2 ALA 22 3.270 2.930 2.017
170 HB3 ALA 22 HB3 ALA 22 4.487 3.890 2.858
171 H CYS 23 H CYS 23 0.852 3.170 2.121
172 HA CYS 23 HA CYS 23 -0.153 3.924 -0.370
173 HB2 CYS 23 HB2 CYS 23 -1.555 2.502 1.897
174 HB3 CYS 23 HB3 CYS 23 -2.143 2.580 0.241
175 H ALA 24 H ALA 24 -1.151 4.818 2.901
176 HA ALA 24 HA ALA 24 -3.388 6.325 2.195
177 HB1 ALA 24 HB1 ALA 24 -2.906 5.555 4.456
178 HB2 ALA 24 HB2 ALA 24 -3.205 7.296 4.400
179 HB3 ALA 24 HB3 ALA 24 -1.555 6.685 4.550
180 H ASP 25 H ASP 25 -0.119 7.456 3.069
181 HA ASP 25 HA ASP 25 -0.594 10.153 2.564
182 HB2 ASP 25 HB2 ASP 25 2.012 8.639 2.527
183 HB3 ASP 25 HB3 ASP 25 1.913 10.381 2.330
184 H ALA 26 H ALA 26 0.553 7.669 0.369
185 HA ALA 26 HA ALA 26 1.088 9.543 -1.706
186 HB1 ALA 26 HB1 ALA 26 1.498 7.618 -3.111
187 HB2 ALA 26 HB2 ALA 26 0.771 6.555 -1.907
188 HB3 ALA 26 HB3 ALA 26 2.273 7.402 -1.540
189 H PHE 27 H PHE 27 -1.837 8.019 -0.638
190 HA PHE 27 HA PHE 27 -2.968 8.694 -3.257
191 HB2 PHE 27 HB2 PHE 27 -3.653 6.380 -1.493
192 HB3 PHE 27 HB3 PHE 27 -4.812 6.987 -2.673
193 HD1 PHE 27 HD1 PHE 27 -4.079 7.160 -5.075
194 HD2 PHE 27 HD2 PHE 27 -1.901 4.893 -2.183
195 HE1 PHE 27 HE1 PHE 27 -3.000 5.914 -6.864
196 HE2 PHE 27 HE2 PHE 27 -0.841 3.637 -3.976
197 HZ PHE 27 HZ PHE 27 -1.368 4.141 -6.327
198 H ALA 28 H ALA 28 -3.805 8.641 0.166
199 HA ALA 28 HA ALA 28 -5.941 10.556 -0.467
200 HB1 ALA 28 HB1 ALA 28 -6.999 9.844 1.605
201 HB2 ALA 28 HB2 ALA 28 -5.665 8.733 1.917
202 HB3 ALA 28 HB3 ALA 28 -6.730 8.468 0.536
203 H ASN 29 H ASN 29 -2.923 10.611 0.293
204 HA ASN 29 HA ASN 29 -1.476 12.087 1.182
205 HB2 ASN 29 HB2 ASN 29 -3.930 13.822 1.382
206 HB3 ASN 29 HB3 ASN 29 -2.318 14.389 1.789
207 HD21 ASN 29 HD21 ASN 29 -0.809 14.653 0.141
208 HD22 ASN 29 HD22 ASN 29 -1.302 14.766 -1.513
209 H GLY 30 H GLY 30 -2.923 10.208 2.967
210 HA2 GLY 30 HA2 GLY 30 -1.629 10.219 5.188
211 HA3 GLY 30 HA3 GLY 30 -2.533 11.697 5.471
212 H ASP 31 H ASP 31 -4.928 10.624 4.153
213 HA ASP 31 HA ASP 31 -5.952 9.275 6.472
214 HB2 ASP 31 HB2 ASP 31 -7.386 10.895 5.357
215 HB3 ASP 31 HB3 ASP 31 -7.323 9.953 3.870
216 H GLN 32 H GLN 32 -5.994 7.210 6.837
217 HA GLN 32 HA GLN 32 -5.104 5.455 4.700
218 HB2 GLN 32 HB2 GLN 32 -5.579 4.649 7.556
219 HB3 GLN 32 HB3 GLN 32 -4.523 3.894 6.374
220 HG2 GLN 32 HG2 GLN 32 -3.165 6.054 6.457
221 HG3 GLN 32 HG3 GLN 32 -4.115 6.455 7.880
222 HE21 GLN 32 HE21 GLN 32 -1.314 6.051 7.727
223 HE22 GLN 32 HE22 GLN 32 -0.936 4.723 8.770
224 H SER 33 H SER 33 -8.006 6.520 5.690
225 HA SER 33 HA SER 33 -9.477 4.147 6.133
226 HB2 SER 33 HB2 SER 33 -10.490 6.823 5.189
227 HB3 SER 33 HB3 SER 33 -11.423 5.560 6.000
228 HG SER 33 HG SER 33 -9.723 7.443 7.002
229 H LYS 34 H LYS 34 -8.285 5.554 3.286
230 HA LYS 34 HA LYS 34 -10.238 4.303 1.525
231 HB2 LYS 34 HB2 LYS 34 -7.648 5.731 0.885
232 HB3 LYS 34 HB3 LYS 34 -8.852 5.223 -0.290
233 HG2 LYS 34 HG2 LYS 34 -9.315 7.214 1.912
234 HG3 LYS 34 HG3 LYS 34 -8.959 7.627 0.234
235 HD2 LYS 34 HD2 LYS 34 -11.007 6.514 -0.488
236 HD3 LYS 34 HD3 LYS 34 -11.346 6.027 1.173
237 HE2 LYS 34 HE2 LYS 34 -12.665 7.979 0.523
238 HE3 LYS 34 HE3 LYS 34 -11.558 8.350 1.835
239 HZ1 LYS 34 HZ1 LYS 34 -11.615 10.082 0.137
240 HZ2 LYS 34 HZ2 LYS 34 -11.044 9.010 -1.027
241 HZ3 LYS 34 HZ3 LYS 34 -10.086 9.427 0.284
242 H ILE 35 H ILE 35 -7.530 3.373 3.206
243 HA ILE 35 HA ILE 35 -6.815 1.281 1.274
244 HB ILE 35 HB ILE 35 -5.182 2.381 3.584
245 HG12 ILE 35 HG12 ILE 35 -5.395 4.105 1.870
246 HG13 ILE 35 HG13 ILE 35 -3.757 3.473 1.882
247 HG21 ILE 35 HG21 ILE 35 -4.623 0.082 3.062
248 HG22 ILE 35 HG22 ILE 35 -3.308 1.157 2.586
249 HG23 ILE 35 HG23 ILE 35 -4.397 0.501 1.363
250 HD11 ILE 35 HD11 ILE 35 -4.510 3.836 -0.382
251 HD12 ILE 35 HD12 ILE 35 -5.924 2.822 -0.107
252 HD13 ILE 35 HD13 ILE 35 -4.313 2.104 -0.099
253 H ALA 36 H ALA 36 -7.798 -0.557 1.862
254 HA ALA 36 HA ALA 36 -8.756 -0.953 4.561
255 HB1 ALA 36 HB1 ALA 36 -10.052 -1.770 2.641
256 HB2 ALA 36 HB2 ALA 36 -9.629 -3.082 3.741
257 HB3 ALA 36 HB3 ALA 36 -8.739 -2.873 2.232
258 H LYS 37 H LYS 37 -6.204 -2.162 2.546
259 HA LYS 37 HA LYS 37 -4.789 -3.233 4.808
260 HB2 LYS 37 HB2 LYS 37 -6.179 -5.133 4.181
261 HB3 LYS 37 HB3 LYS 37 -5.797 -4.911 2.488
262 HG2 LYS 37 HG2 LYS 37 -4.623 -6.824 3.339
263 HG3 LYS 37 HG3 LYS 37 -3.467 -5.551 2.961
264 HD2 LYS 37 HD2 LYS 37 -3.434 -4.944 5.361
265 HD3 LYS 37 HD3 LYS 37 -4.487 -6.316 5.694
266 HE2 LYS 37 HE2 LYS 37 -1.748 -6.441 4.446
267 HE3 LYS 37 HE3 LYS 37 -2.131 -6.853 6.109
268 HZ1 LYS 37 HZ1 LYS 37 -3.433 -8.716 5.368
269 HZ2 LYS 37 HZ2 LYS 37 -1.939 -8.798 4.543
270 HZ3 LYS 37 HZ3 LYS 37 -3.296 -8.248 3.750
271 H ALA 38 H ALA 38 -2.563 -3.431 4.272
272 HA ALA 38 HA ALA 38 -1.725 -3.024 1.547
273 HB1 ALA 38 HB1 ALA 38 -0.792 -1.272 3.820
274 HB2 ALA 38 HB2 ALA 38 -1.829 -0.764 2.487
275 HB3 ALA 38 HB3 ALA 38 -0.165 -1.254 2.169
276 H GLU 39 H GLU 39 -0.077 -4.336 1.154
277 HA GLU 39 HA GLU 39 1.492 -5.382 3.418
278 HB2 GLU 39 HB2 GLU 39 -0.566 -6.833 2.956
279 HB3 GLU 39 HB3 GLU 39 0.156 -7.191 1.405
280 HG2 GLU 39 HG2 GLU 39 2.052 -8.232 2.490
281 HG3 GLU 39 HG3 GLU 39 1.393 -7.821 4.072
282 H ASN 40 H ASN 40 3.321 -6.816 2.475
283 HA ASN 40 HA ASN 40 4.709 -5.341 0.507
284 HB2 ASN 40 HB2 ASN 40 5.910 -6.666 2.183
285 HB3 ASN 40 HB3 ASN 40 5.225 -8.146 1.518
286 HD21 ASN 40 HD21 ASN 40 7.554 -5.624 1.060
287 HD22 ASN 40 HD22 ASN 40 8.429 -6.377 -0.213
288 H PHE 41 H PHE 41 4.696 -5.435 -1.583
289 HA PHE 41 HA PHE 41 3.053 -7.442 -2.952
290 HB2 PHE 41 HB2 PHE 41 2.583 -5.063 -3.437
291 HB3 PHE 41 HB3 PHE 41 4.253 -4.836 -3.896
292 HD1 PHE 41 HD1 PHE 41 4.961 -5.176 -6.101
293 HD2 PHE 41 HD2 PHE 41 1.166 -6.675 -4.863
294 HE1 PHE 41 HE1 PHE 41 4.422 -5.734 -8.428
295 HE2 PHE 41 HE2 PHE 41 0.632 -7.228 -7.183
296 HZ PHE 41 HZ PHE 41 2.250 -6.765 -8.974
297 H LYS 42 H LYS 42 6.262 -6.004 -2.885
298 HA LYS 42 HA LYS 42 7.549 -8.250 -4.032
299 HB2 LYS 42 HB2 LYS 42 6.478 -6.986 -6.007
300 HB3 LYS 42 HB3 LYS 42 7.490 -5.628 -5.583
301 HG2 LYS 42 HG2 LYS 42 9.474 -6.999 -6.041
302 HG3 LYS 42 HG3 LYS 42 8.417 -8.334 -6.531
303 HD2 LYS 42 HD2 LYS 42 7.390 -6.704 -8.188
304 HD3 LYS 42 HD3 LYS 42 8.725 -5.625 -7.815
305 HE2 LYS 42 HE2 LYS 42 8.987 -8.423 -8.923
306 HE3 LYS 42 HE3 LYS 42 9.116 -6.945 -9.860
307 HZ1 LYS 42 HZ1 LYS 42 10.968 -7.763 -7.671
308 HZ2 LYS 42 HZ2 LYS 42 11.099 -6.356 -8.597
309 HZ3 LYS 42 HZ3 LYS 42 11.260 -7.852 -9.321
310 H ASP 43 H ASP 43 9.974 -7.430 -4.178
311 HA ASP 43 HA ASP 43 10.633 -6.179 -1.757
312 HB2 ASP 43 HB2 ASP 43 12.306 -6.583 -4.243
313 HB3 ASP 43 HB3 ASP 43 12.940 -6.053 -2.688
314 H TYR 44 H TYR 44 10.509 -4.183 -1.213
315 HA TYR 44 HA TYR 44 10.466 -1.955 -1.194
316 HB2 TYR 44 HB2 TYR 44 11.786 -2.193 -3.913
317 HB3 TYR 44 HB3 TYR 44 11.475 -0.639 -3.143
318 HD1 TYR 44 HD1 TYR 44 12.778 0.057 -1.239
319 HD2 TYR 44 HD2 TYR 44 13.524 -3.692 -3.080
320 HE1 TYR 44 HE1 TYR 44 14.886 -0.105 -0.012
321 HE2 TYR 44 HE2 TYR 44 15.646 -3.882 -1.856
322 HH TYR 44 HH TYR 44 16.401 -1.999 0.787
323 H TYR 45 H TYR 45 8.270 -3.628 -2.235
324 HA TYR 45 HA TYR 45 6.643 -1.396 -3.251
325 HB2 TYR 45 HB2 TYR 45 6.714 -4.186 -4.383
326 HB3 TYR 45 HB3 TYR 45 5.346 -3.112 -4.590
327 HD1 TYR 45 HD1 TYR 45 8.670 -3.979 -5.753
328 HD2 TYR 45 HD2 TYR 45 5.610 -1.039 -5.904
329 HE1 TYR 45 HE1 TYR 45 9.648 -3.056 -7.792
330 HE2 TYR 45 HE2 TYR 45 6.598 -0.103 -7.933
331 HH TYR 45 HH TYR 45 8.955 -1.752 -9.713
332 H CYS 46 H CYS 46 4.690 -1.265 -2.477
333 HA CYS 46 HA CYS 46 3.769 -3.394 -0.681
334 HB2 CYS 46 HB2 CYS 46 3.301 -0.410 -0.436
335 HB3 CYS 46 HB3 CYS 46 2.510 -1.624 0.564
336 H ASN 47 H ASN 47 1.784 -4.140 -1.022
337 HA ASN 47 HA ASN 47 0.350 -3.233 -3.389
338 HB2 ASN 47 HB2 ASN 47 0.783 -5.704 -3.004
339 HB3 ASN 47 HB3 ASN 47 -0.201 -5.585 -1.557
340 HD21 ASN 47 HD21 ASN 47 -2.456 -5.537 -1.753
341 HD22 ASN 47 HD22 ASN 47 -3.247 -5.803 -3.229
342 H CYS 48 H CYS 48 -0.965 -1.627 -2.994
343 HA CYS 48 HA CYS 48 -2.174 -1.313 -0.395
344 HB2 CYS 48 HB2 CYS 48 -2.377 0.454 -2.861
345 HB3 CYS 48 HB3 CYS 48 -2.825 0.843 -1.197
346 H HIS 49 H HIS 49 -4.273 -1.647 -0.015
347 HA HIS 49 HA HIS 49 -5.859 -2.778 -2.181
348 HB2 HIS 49 HB2 HIS 49 -6.085 -3.061 0.832
349 HB3 HIS 49 HB3 HIS 49 -7.217 -3.745 -0.322
350 HD1 HIS 49 HD3 HIS 49 -6.826 -6.109 -0.673
351 HD2 HIS 49 HD2 HIS 49 -3.313 -4.121 0.223
352 HE1 HIS 49 HE1 HIS 49 -5.014 -7.899 -0.611
353 H ILE 50 H ILE 50 -6.691 -1.005 -2.996
354 HA ILE 50 HA ILE 50 -7.533 1.095 -1.198
355 HB ILE 50 HB ILE 50 -7.640 1.143 -4.229
356 HG12 ILE 50 HG12 ILE 50 -5.409 2.075 -2.390
357 HG13 ILE 50 HG13 ILE 50 -5.334 0.647 -3.413
358 HG21 ILE 50 HG21 ILE 50 -8.957 2.843 -3.017
359 HG22 ILE 50 HG22 ILE 50 -7.555 3.589 -3.821
360 HG23 ILE 50 HG23 ILE 50 -7.510 3.239 -2.085
361 HD11 ILE 50 HD11 ILE 50 -5.587 3.495 -4.363
362 HD12 ILE 50 HD12 ILE 50 -5.506 2.059 -5.389
363 HD13 ILE 50 HD13 ILE 50 -4.125 2.505 -4.389
364 H ILE 51 H ILE 51 -9.506 1.397 -0.630
365 HA ILE 51 HA ILE 51 -11.596 -0.380 -1.498
366 HB ILE 51 HB ILE 51 -11.822 2.045 0.324
367 HG12 ILE 51 HG12 ILE 51 -11.317 -0.826 1.135
368 HG13 ILE 51 HG13 ILE 51 -10.089 0.434 1.131
369 HG21 ILE 51 HG21 ILE 51 -13.518 -0.444 0.103
370 HG22 ILE 51 HG22 ILE 51 -13.933 1.137 -0.545
371 HG23 ILE 51 HG23 ILE 51 -13.800 0.910 1.203
372 HD11 ILE 51 HD11 ILE 51 -10.960 0.050 3.374
373 HD12 ILE 51 HD12 ILE 51 -12.590 0.417 2.811
374 HD13 ILE 51 HD13 ILE 51 -11.355 1.672 2.813
375 H ILE 52 H ILE 52 -12.445 0.120 -3.469
376 HA ILE 52 HA ILE 52 -12.727 2.945 -4.127
377 HB ILE 52 HB ILE 52 -12.956 0.539 -5.969
378 HG12 ILE 52 HG12 ILE 52 -10.793 2.646 -5.669
379 HG13 ILE 52 HG13 ILE 52 -10.671 0.963 -5.179
380 HG21 ILE 52 HG21 ILE 52 -14.390 2.385 -6.717
381 HG22 ILE 52 HG22 ILE 52 -13.003 2.214 -7.793
382 HG23 ILE 52 HG23 ILE 52 -13.033 3.503 -6.593
383 HD11 ILE 52 HD11 ILE 52 -9.499 1.414 -7.275
384 HD12 ILE 52 HD12 ILE 52 -11.025 1.929 -8.006
385 HD13 ILE 52 HD13 ILE 52 -10.812 0.258 -7.486
386 H HIS 53 H HIS 53 -14.652 -0.050 -4.354
387 HA HIS 53 HA HIS 53 -16.947 1.673 -3.865
388 HB2 HIS 53 HB2 HIS 53 -16.870 0.960 -6.256
389 HB3 HIS 53 HB3 HIS 53 -16.926 -0.716 -5.734
390 HD1 HIS 53 HD3 HIS 53 -19.106 2.410 -5.777
391 HD2 HIS 53 HD2 HIS 53 -19.417 -1.700 -5.256
392 HE1 HIS 53 HE1 HIS 53 -21.566 1.897 -5.712
Start of MODEL 3
1 H1 GLU 1 1HT GLU 1 -15.086 -3.777 -2.644
2 H2 GLU 1 2HT GLU 1 -14.020 -4.762 -1.798
3 H3 GLU 1 3HT GLU 1 -15.233 -5.477 -2.736
4 HA GLU 1 HA GLU 1 -13.043 -5.655 -3.660
5 HB2 GLU 1 HB2 GLU 1 -13.509 -4.902 -5.915
6 HB3 GLU 1 HB3 GLU 1 -15.022 -5.457 -5.234
7 HG2 GLU 1 HG2 GLU 1 -15.654 -3.134 -4.795
8 HG3 GLU 1 HG3 GLU 1 -14.115 -2.627 -5.471
9 H GLU 2 H GLU 2 -11.105 -4.794 -3.979
10 HA GLU 2 HA GLU 2 -10.859 -1.914 -3.645
11 HB2 GLU 2 HB2 GLU 2 -9.085 -3.963 -2.292
12 HB3 GLU 2 HB3 GLU 2 -8.801 -2.236 -2.317
13 HG2 GLU 2 HG2 GLU 2 -9.698 -2.516 -0.217
14 HG3 GLU 2 HG3 GLU 2 -11.134 -2.120 -1.152
15 H THR 3 H THR 3 -9.170 -1.006 -4.773
16 HA THR 3 HA THR 3 -8.234 -2.488 -7.054
17 HB THR 3 HB THR 3 -7.409 0.255 -6.060
18 HG1 THR 3 HG1 THR 3 -9.412 -0.443 -7.943
19 HG21 THR 3 HG21 THR 3 -7.316 -0.970 -8.825
20 HG22 THR 3 HG22 THR 3 -5.924 -0.688 -7.780
21 HG23 THR 3 HG23 THR 3 -6.841 0.679 -8.417
22 H GLU 4 H GLU 4 -6.416 -3.717 -6.993
23 HA GLU 4 HA GLU 4 -4.610 -3.505 -4.755
24 HB2 GLU 4 HB2 GLU 4 -4.638 -5.366 -7.147
25 HB3 GLU 4 HB3 GLU 4 -3.466 -5.444 -5.842
26 HG2 GLU 4 HG2 GLU 4 -5.250 -5.946 -4.256
27 HG3 GLU 4 HG3 GLU 4 -6.436 -5.839 -5.557
28 H GLU 5 H GLU 5 -3.524 -1.708 -4.948
29 HA GLU 5 HA GLU 5 -2.195 -1.111 -7.500
30 HB2 GLU 5 HB2 GLU 5 -3.859 0.539 -6.500
31 HB3 GLU 5 HB3 GLU 5 -2.717 0.753 -5.190
32 HG2 GLU 5 HG2 GLU 5 -2.500 2.542 -6.773
33 HG3 GLU 5 HG3 GLU 5 -1.041 1.550 -6.786
34 HA PRO 6 HA PRO 6 1.318 -2.165 -4.807
35 HB2 PRO 6 HB2 PRO 6 2.868 -2.602 -7.180
36 HB3 PRO 6 HB3 PRO 6 2.291 -3.798 -6.018
37 HG2 PRO 6 HG2 PRO 6 1.383 -3.622 -8.613
38 HG3 PRO 6 HG3 PRO 6 0.449 -4.322 -7.283
39 HD2 PRO 6 HD2 PRO 6 0.252 -1.603 -8.515
40 HD3 PRO 6 HD3 PRO 6 -1.035 -2.686 -7.932
41 H ILE 7 H ILE 7 2.090 -0.366 -4.034
42 HA ILE 7 HA ILE 7 3.102 1.763 -5.786
43 HB ILE 7 HB ILE 7 3.080 3.224 -3.820
44 HG12 ILE 7 HG12 ILE 7 2.249 0.880 -2.133
45 HG13 ILE 7 HG13 ILE 7 3.953 1.273 -2.325
46 HG21 ILE 7 HG21 ILE 7 0.674 1.523 -3.887
47 HG22 ILE 7 HG22 ILE 7 1.032 2.941 -4.886
48 HG23 ILE 7 HG23 ILE 7 0.862 3.102 -3.127
49 HD11 ILE 7 HD11 ILE 7 3.046 2.225 -0.310
50 HD12 ILE 7 HD12 ILE 7 1.831 3.097 -1.277
51 HD13 ILE 7 HD13 ILE 7 3.552 3.468 -1.461
52 H ARG 8 H ARG 8 5.095 2.808 -5.026
53 HA ARG 8 HA ARG 8 7.165 0.817 -4.601
54 HB2 ARG 8 HB2 ARG 8 7.311 3.779 -5.185
55 HB3 ARG 8 HB3 ARG 8 8.685 2.706 -4.990
56 HG2 ARG 8 HG2 ARG 8 8.064 1.462 -6.920
57 HG3 ARG 8 HG3 ARG 8 6.611 2.455 -7.144
58 HD2 ARG 8 HD2 ARG 8 8.487 3.135 -8.599
59 HD3 ARG 8 HD3 ARG 8 7.994 4.413 -7.487
60 HE ARG 8 HE ARG 8 10.030 2.937 -6.284
61 HH11 ARG 8 HH11 ARG 8 9.692 5.008 -9.153
62 HH12 ARG 8 HH12 ARG 8 11.222 5.710 -9.003
63 HH21 ARG 8 HH21 ARG 8 12.152 3.906 -6.065
64 HH22 ARG 8 HH22 ARG 8 12.681 5.061 -7.193
65 H HIS 9 H HIS 9 8.624 0.945 -2.885
66 HA HIS 9 HA HIS 9 8.142 2.915 -0.794
67 HB2 HIS 9 HB2 HIS 9 6.896 0.652 -0.423
68 HB3 HIS 9 HB3 HIS 9 8.497 -0.028 -0.184
69 HD1 HIS 9 HD3 HIS 9 9.406 0.133 2.141
70 HD2 HIS 9 HD2 HIS 9 6.168 2.647 1.512
71 HE1 HIS 9 HE1 HIS 9 8.823 1.171 4.419
72 H ALA 10 H ALA 10 10.130 3.160 0.539
73 HA ALA 10 HA ALA 10 12.464 2.568 -1.090
74 HB1 ALA 10 HB1 ALA 10 13.651 4.185 0.234
75 HB2 ALA 10 HB2 ALA 10 12.328 4.277 1.388
76 HB3 ALA 10 HB3 ALA 10 12.101 4.867 -0.261
77 H LYS 11 H LYS 11 11.039 1.538 1.840
78 HA LYS 11 HA LYS 11 13.408 0.069 2.600
79 HB2 LYS 11 HB2 LYS 11 10.610 0.175 3.748
80 HB3 LYS 11 HB3 LYS 11 11.883 -0.854 4.383
81 HG2 LYS 11 HG2 LYS 11 13.201 1.045 5.012
82 HG3 LYS 11 HG3 LYS 11 12.089 2.144 4.203
83 HD2 LYS 11 HD2 LYS 11 11.797 2.120 6.660
84 HD3 LYS 11 HD3 LYS 11 10.344 1.619 5.798
85 HE2 LYS 11 HE2 LYS 11 10.849 -0.708 6.262
86 HE3 LYS 11 HE3 LYS 11 12.359 -0.247 7.047
87 HZ1 LYS 11 HZ1 LYS 11 10.525 -0.708 8.612
88 HZ2 LYS 11 HZ2 LYS 11 9.666 0.624 8.007
89 HZ3 LYS 11 HZ3 LYS 11 11.150 0.840 8.760
90 H LYS 12 H LYS 12 13.796 -1.877 1.918
91 HA LYS 12 HA LYS 12 12.589 -3.032 -0.261
92 HB2 LYS 12 HB2 LYS 12 14.849 -3.523 0.416
93 HB3 LYS 12 HB3 LYS 12 14.278 -4.303 1.883
94 HG2 LYS 12 HG2 LYS 12 13.139 -5.993 0.471
95 HG3 LYS 12 HG3 LYS 12 13.887 -5.247 -0.943
96 HD2 LYS 12 HD2 LYS 12 16.083 -5.721 -0.080
97 HD3 LYS 12 HD3 LYS 12 15.392 -6.347 1.420
98 HE2 LYS 12 HE2 LYS 12 14.276 -8.111 0.167
99 HE3 LYS 12 HE3 LYS 12 14.966 -7.491 -1.330
100 HZ1 LYS 12 HZ1 LYS 12 16.507 -8.581 0.966
101 HZ2 LYS 12 HZ2 LYS 12 17.165 -7.981 -0.460
102 HZ3 LYS 12 HZ3 LYS 12 16.222 -9.365 -0.494
103 H ASN 13 H ASN 13 12.092 -3.791 3.130
104 HA ASN 13 HA ASN 13 9.789 -5.425 2.342
105 HB2 ASN 13 HB2 ASN 13 11.765 -6.151 4.522
106 HB3 ASN 13 HB3 ASN 13 10.215 -6.947 4.287
107 HD21 ASN 13 HD21 ASN 13 9.944 -8.297 2.463
108 HD22 ASN 13 HD22 ASN 13 11.310 -8.884 1.588
109 HA PRO 14 HA PRO 14 8.342 -2.379 5.297
110 HB2 PRO 14 HB2 PRO 14 5.993 -2.149 3.678
111 HB3 PRO 14 HB3 PRO 14 7.272 -0.958 3.904
112 HG2 PRO 14 HG2 PRO 14 6.773 -2.270 1.533
113 HG3 PRO 14 HG3 PRO 14 8.325 -1.543 1.972
114 HD2 PRO 14 HD2 PRO 14 7.456 -4.387 2.098
115 HD3 PRO 14 HD3 PRO 14 9.028 -3.688 1.639
116 H SER 15 H SER 15 6.892 -2.724 6.889
117 HA SER 15 HA SER 15 5.554 -5.246 6.959
118 HB2 SER 15 HB2 SER 15 5.560 -2.951 8.922
119 HB3 SER 15 HB3 SER 15 5.054 -4.610 9.262
120 HG SER 15 HG SER 15 7.302 -5.080 8.421
121 H GLU 16 H GLU 16 3.217 -5.190 7.765
122 HA GLU 16 HA GLU 16 1.593 -4.134 5.755
123 HB2 GLU 16 HB2 GLU 16 0.775 -5.076 8.504
124 HB3 GLU 16 HB3 GLU 16 -0.279 -4.943 7.098
125 HG2 GLU 16 HG2 GLU 16 0.963 -6.622 5.933
126 HG3 GLU 16 HG3 GLU 16 2.155 -6.705 7.217
127 H GLY 17 H GLY 17 2.234 -2.938 8.997
128 HA2 GLY 17 HA2 GLY 17 0.423 -0.753 8.882
129 HA3 GLY 17 HA3 GLY 17 1.782 -0.904 9.987
130 H GLU 18 H GLU 18 3.853 -1.099 8.137
131 HA GLU 18 HA GLU 18 4.541 1.554 7.522
132 HB2 GLU 18 HB2 GLU 18 5.502 -1.007 6.219
133 HB3 GLU 18 HB3 GLU 18 6.270 0.556 6.033
134 HG2 GLU 18 HG2 GLU 18 5.961 -0.851 8.666
135 HG3 GLU 18 HG3 GLU 18 7.376 -1.007 7.624
136 H CYS 19 H CYS 19 3.420 -1.074 5.449
137 HA CYS 19 HA CYS 19 3.236 0.379 3.104
138 HB2 CYS 19 HB2 CYS 19 1.777 -2.099 3.977
139 HB3 CYS 19 HB3 CYS 19 1.648 -1.428 2.361
140 H LYS 20 H LYS 20 0.634 -0.268 5.516
141 HA LYS 20 HA LYS 20 -1.344 1.053 4.015
142 HB2 LYS 20 HB2 LYS 20 -1.993 -0.380 5.867
143 HB3 LYS 20 HB3 LYS 20 -1.205 0.687 7.023
144 HG2 LYS 20 HG2 LYS 20 -2.810 2.452 6.512
145 HG3 LYS 20 HG3 LYS 20 -3.569 1.432 5.298
146 HD2 LYS 20 HD2 LYS 20 -3.416 0.736 8.232
147 HD3 LYS 20 HD3 LYS 20 -4.786 1.560 7.490
148 HE2 LYS 20 HE2 LYS 20 -5.054 -0.379 5.960
149 HE3 LYS 20 HE3 LYS 20 -3.750 -1.192 6.819
150 HZ1 LYS 20 HZ1 LYS 20 -5.079 -1.181 8.817
151 HZ2 LYS 20 HZ2 LYS 20 -5.981 -1.860 7.550
152 HZ3 LYS 20 HZ3 LYS 20 -6.284 -0.294 8.050
153 H LYS 21 H LYS 21 0.933 2.299 6.366
154 HA LYS 21 HA LYS 21 -0.105 4.916 6.432
155 HB2 LYS 21 HB2 LYS 21 1.404 4.040 8.151
156 HB3 LYS 21 HB3 LYS 21 2.693 3.893 6.971
157 HG2 LYS 21 HG2 LYS 21 3.010 5.828 8.406
158 HG3 LYS 21 HG3 LYS 21 2.764 6.309 6.728
159 HD2 LYS 21 HD2 LYS 21 0.428 6.850 7.219
160 HD3 LYS 21 HD3 LYS 21 0.657 6.346 8.895
161 HE2 LYS 21 HE2 LYS 21 0.781 8.792 8.623
162 HE3 LYS 21 HE3 LYS 21 2.292 8.109 9.225
163 HZ1 LYS 21 HZ1 LYS 21 1.752 8.840 6.389
164 HZ2 LYS 21 HZ2 LYS 21 3.203 8.240 7.004
165 HZ3 LYS 21 HZ3 LYS 21 2.666 9.749 7.472
166 H ALA 22 H ALA 22 2.519 3.448 4.526
167 HA ALA 22 HA ALA 22 3.236 5.752 3.092
168 HB1 ALA 22 HB1 ALA 22 4.381 4.239 1.566
169 HB2 ALA 22 HB2 ALA 22 3.504 2.870 2.249
170 HB3 ALA 22 HB3 ALA 22 4.659 3.762 3.242
171 H CYS 23 H CYS 23 1.060 3.092 2.244
172 HA CYS 23 HA CYS 23 0.230 3.992 -0.274
173 HB2 CYS 23 HB2 CYS 23 -1.347 2.434 1.775
174 HB3 CYS 23 HB3 CYS 23 -1.807 2.622 0.091
175 H ALA 24 H ALA 24 -0.979 4.797 2.948
176 HA ALA 24 HA ALA 24 -3.205 6.272 2.145
177 HB1 ALA 24 HB1 ALA 24 -2.813 5.540 4.433
178 HB2 ALA 24 HB2 ALA 24 -3.079 7.285 4.359
179 HB3 ALA 24 HB3 ALA 24 -1.446 6.645 4.564
180 H ASP 25 H ASP 25 0.006 7.429 3.147
181 HA ASP 25 HA ASP 25 -0.328 10.103 2.462
182 HB2 ASP 25 HB2 ASP 25 2.128 8.398 2.674
183 HB3 ASP 25 HB3 ASP 25 2.236 10.086 2.199
184 H ALA 26 H ALA 26 0.669 7.435 0.468
185 HA ALA 26 HA ALA 26 1.496 9.015 -1.729
186 HB1 ALA 26 HB1 ALA 26 0.729 6.106 -1.697
187 HB2 ALA 26 HB2 ALA 26 2.330 6.745 -1.329
188 HB3 ALA 26 HB3 ALA 26 1.660 6.932 -2.949
189 H PHE 27 H PHE 27 -1.661 7.983 -0.695
190 HA PHE 27 HA PHE 27 -2.620 8.790 -3.348
191 HB2 PHE 27 HB2 PHE 27 -3.563 6.459 -1.719
192 HB3 PHE 27 HB3 PHE 27 -4.564 7.191 -2.970
193 HD1 PHE 27 HD1 PHE 27 -1.907 4.844 -2.313
194 HD2 PHE 27 HD2 PHE 27 -3.605 7.395 -5.282
195 HE1 PHE 27 HE1 PHE 27 -0.806 3.565 -4.050
196 HE2 PHE 27 HE2 PHE 27 -2.476 6.118 -7.022
197 HZ PHE 27 HZ PHE 27 -1.070 4.187 -6.416
198 H ALA 28 H ALA 28 -3.716 8.401 -0.013
199 HA ALA 28 HA ALA 28 -5.774 10.417 -0.540
200 HB1 ALA 28 HB1 ALA 28 -5.473 8.554 1.814
201 HB2 ALA 28 HB2 ALA 28 -6.508 8.274 0.415
202 HB3 ALA 28 HB3 ALA 28 -6.838 9.627 1.497
203 H ASN 29 H ASN 29 -2.773 10.594 0.127
204 HA ASN 29 HA ASN 29 -1.404 12.181 0.972
205 HB2 ASN 29 HB2 ASN 29 -4.020 13.614 1.141
206 HB3 ASN 29 HB3 ASN 29 -2.577 14.351 1.823
207 HD21 ASN 29 HD21 ASN 29 -1.012 15.117 0.474
208 HD22 ASN 29 HD22 ASN 29 -1.210 15.237 -1.229
209 H GLY 30 H GLY 30 -2.703 10.163 2.793
210 HA2 GLY 30 HA2 GLY 30 -1.339 10.054 4.932
211 HA3 GLY 30 HA3 GLY 30 -2.125 11.582 5.306
212 H ASP 31 H ASP 31 -4.647 10.736 4.084
213 HA ASP 31 HA ASP 31 -5.743 9.484 6.400
214 HB2 ASP 31 HB2 ASP 31 -7.156 11.051 5.217
215 HB3 ASP 31 HB3 ASP 31 -7.025 10.109 3.733
216 H GLN 32 H GLN 32 -6.136 7.446 6.815
217 HA GLN 32 HA GLN 32 -5.234 5.506 4.819
218 HB2 GLN 32 HB2 GLN 32 -5.763 5.050 7.741
219 HB3 GLN 32 HB3 GLN 32 -4.857 4.021 6.638
220 HG2 GLN 32 HG2 GLN 32 -3.184 5.856 6.417
221 HG3 GLN 32 HG3 GLN 32 -4.069 6.732 7.662
222 HE21 GLN 32 HE21 GLN 32 -1.999 4.120 6.955
223 HE22 GLN 32 HE22 GLN 32 -1.660 3.672 8.590
224 H SER 33 H SER 33 -8.095 6.830 5.382
225 HA SER 33 HA SER 33 -9.623 4.524 6.171
226 HB2 SER 33 HB2 SER 33 -10.633 7.188 5.195
227 HB3 SER 33 HB3 SER 33 -11.475 6.011 6.209
228 HG SER 33 HG SER 33 -9.555 7.871 6.821
229 H LYS 34 H LYS 34 -8.493 5.855 3.290
230 HA LYS 34 HA LYS 34 -10.517 4.524 1.647
231 HB2 LYS 34 HB2 LYS 34 -8.187 6.288 0.877
232 HB3 LYS 34 HB3 LYS 34 -9.335 5.592 -0.261
233 HG2 LYS 34 HG2 LYS 34 -11.155 6.824 0.838
234 HG3 LYS 34 HG3 LYS 34 -9.982 7.515 1.959
235 HD2 LYS 34 HD2 LYS 34 -10.505 9.112 0.188
236 HD3 LYS 34 HD3 LYS 34 -8.826 8.595 0.070
237 HE2 LYS 34 HE2 LYS 34 -9.827 8.685 -2.140
238 HE3 LYS 34 HE3 LYS 34 -9.473 7.015 -1.727
239 HZ1 LYS 34 HZ1 LYS 34 -12.124 8.329 -1.595
240 HZ2 LYS 34 HZ2 LYS 34 -11.819 6.720 -1.175
241 HZ3 LYS 34 HZ3 LYS 34 -11.611 7.227 -2.757
242 H ILE 35 H ILE 35 -7.843 3.703 3.201
243 HA ILE 35 HA ILE 35 -6.929 1.763 1.184
244 HB ILE 35 HB ILE 35 -5.478 2.688 3.688
245 HG12 ILE 35 HG12 ILE 35 -5.588 4.554 2.096
246 HG13 ILE 35 HG13 ILE 35 -3.946 3.941 2.214
247 HG21 ILE 35 HG21 ILE 35 -4.514 1.006 1.376
248 HG22 ILE 35 HG22 ILE 35 -4.857 0.444 3.008
249 HG23 ILE 35 HG23 ILE 35 -3.518 1.557 2.726
250 HD11 ILE 35 HD11 ILE 35 -5.899 3.384 -0.010
251 HD12 ILE 35 HD12 ILE 35 -4.262 2.740 0.102
252 HD13 ILE 35 HD13 ILE 35 -4.515 4.476 -0.079
253 H ALA 36 H ALA 36 -7.885 -0.145 1.582
254 HA ALA 36 HA ALA 36 -9.104 -0.789 4.092
255 HB1 ALA 36 HB1 ALA 36 -9.937 -1.732 1.986
256 HB2 ALA 36 HB2 ALA 36 -9.474 -3.010 3.112
257 HB3 ALA 36 HB3 ALA 36 -8.415 -2.595 1.766
258 H LYS 37 H LYS 37 -6.393 -2.239 2.364
259 HA LYS 37 HA LYS 37 -4.884 -2.401 4.792
260 HB2 LYS 37 HB2 LYS 37 -6.162 -4.614 4.614
261 HB3 LYS 37 HB3 LYS 37 -5.329 -4.891 3.087
262 HG2 LYS 37 HG2 LYS 37 -3.166 -4.675 4.322
263 HG3 LYS 37 HG3 LYS 37 -4.092 -4.630 5.817
264 HD2 LYS 37 HD2 LYS 37 -4.903 -6.889 5.349
265 HD3 LYS 37 HD3 LYS 37 -3.985 -6.897 3.832
266 HE2 LYS 37 HE2 LYS 37 -1.921 -6.496 5.101
267 HE3 LYS 37 HE3 LYS 37 -2.840 -6.551 6.596
268 HZ1 LYS 37 HZ1 LYS 37 -3.396 -8.884 6.067
269 HZ2 LYS 37 HZ2 LYS 37 -1.741 -8.566 6.231
270 HZ3 LYS 37 HZ3 LYS 37 -2.367 -8.790 4.702
271 H ALA 38 H ALA 38 -2.633 -2.951 4.180
272 HA ALA 38 HA ALA 38 -2.007 -2.930 1.382
273 HB1 ALA 38 HB1 ALA 38 -0.882 -0.945 3.344
274 HB2 ALA 38 HB2 ALA 38 -2.003 -0.572 2.035
275 HB3 ALA 38 HB3 ALA 38 -0.377 -1.145 1.665
276 H GLU 39 H GLU 39 -0.588 -4.481 1.140
277 HA GLU 39 HA GLU 39 0.947 -5.327 3.525
278 HB2 GLU 39 HB2 GLU 39 -1.002 -6.831 2.926
279 HB3 GLU 39 HB3 GLU 39 -0.200 -7.162 1.403
280 HG2 GLU 39 HG2 GLU 39 1.690 -8.144 2.634
281 HG3 GLU 39 HG3 GLU 39 0.851 -7.828 4.150
282 H ASN 40 H ASN 40 2.985 -6.497 2.940
283 HA ASN 40 HA ASN 40 4.441 -5.123 0.947
284 HB2 ASN 40 HB2 ASN 40 5.562 -6.113 2.910
285 HB3 ASN 40 HB3 ASN 40 5.097 -7.721 2.378
286 HD21 ASN 40 HD21 ASN 40 6.340 -5.175 0.179
287 HD22 ASN 40 HD22 ASN 40 7.785 -6.009 -0.167
288 H PHE 41 H PHE 41 4.290 -5.376 -1.126
289 HA PHE 41 HA PHE 41 2.910 -7.650 -2.251
290 HB2 PHE 41 HB2 PHE 41 2.403 -5.364 -3.045
291 HB3 PHE 41 HB3 PHE 41 4.073 -5.169 -3.516
292 HD1 PHE 41 HD1 PHE 41 4.616 -5.445 -5.727
293 HD2 PHE 41 HD2 PHE 41 1.245 -7.540 -4.171
294 HE1 PHE 41 HE1 PHE 41 4.134 -6.338 -7.966
295 HE2 PHE 41 HE2 PHE 41 0.771 -8.424 -6.407
296 HZ PHE 41 HZ PHE 41 2.212 -7.831 -8.303
297 H LYS 42 H LYS 42 6.018 -6.010 -2.634
298 HA LYS 42 HA LYS 42 7.334 -8.442 -3.327
299 HB2 LYS 42 HB2 LYS 42 6.163 -7.689 -5.424
300 HB3 LYS 42 HB3 LYS 42 7.034 -6.175 -5.332
301 HG2 LYS 42 HG2 LYS 42 9.125 -7.308 -5.698
302 HG3 LYS 42 HG3 LYS 42 8.311 -8.867 -5.648
303 HD2 LYS 42 HD2 LYS 42 7.746 -6.705 -7.665
304 HD3 LYS 42 HD3 LYS 42 8.814 -8.071 -7.959
305 HE2 LYS 42 HE2 LYS 42 5.848 -8.266 -7.323
306 HE3 LYS 42 HE3 LYS 42 6.566 -8.407 -8.918
307 HZ1 LYS 42 HZ1 LYS 42 7.159 -10.246 -6.653
308 HZ2 LYS 42 HZ2 LYS 42 7.707 -10.393 -8.241
309 HZ3 LYS 42 HZ3 LYS 42 6.074 -10.562 -7.897
310 H ASP 43 H ASP 43 9.715 -7.718 -3.765
311 HA ASP 43 HA ASP 43 10.696 -6.168 -1.677
312 HB2 ASP 43 HB2 ASP 43 12.067 -6.502 -4.366
313 HB3 ASP 43 HB3 ASP 43 12.842 -6.133 -2.837
314 H TYR 44 H TYR 44 10.504 -4.097 -1.307
315 HA TYR 44 HA TYR 44 10.439 -1.853 -1.503
316 HB2 TYR 44 HB2 TYR 44 11.371 -2.342 -4.340
317 HB3 TYR 44 HB3 TYR 44 11.122 -0.739 -3.670
318 HD1 TYR 44 HD1 TYR 44 12.553 0.051 -1.836
319 HD2 TYR 44 HD2 TYR 44 13.335 -3.620 -3.825
320 HE1 TYR 44 HE1 TYR 44 14.814 0.069 -0.949
321 HE2 TYR 44 HE2 TYR 44 15.621 -3.625 -2.930
322 HH TYR 44 HH TYR 44 16.579 -1.568 -0.421
323 H TYR 45 H TYR 45 8.141 -3.704 -2.353
324 HA TYR 45 HA TYR 45 6.458 -1.509 -3.347
325 HB2 TYR 45 HB2 TYR 45 6.471 -4.318 -4.463
326 HB3 TYR 45 HB3 TYR 45 5.191 -3.151 -4.759
327 HD1 TYR 45 HD1 TYR 45 5.882 -0.936 -5.846
328 HD2 TYR 45 HD2 TYR 45 8.331 -4.403 -5.895
329 HE1 TYR 45 HE1 TYR 45 7.103 -0.025 -7.757
330 HE2 TYR 45 HE2 TYR 45 9.571 -3.490 -7.809
331 HH TYR 45 HH TYR 45 9.064 -1.821 -9.716
332 H CYS 46 H CYS 46 4.491 -1.381 -2.592
333 HA CYS 46 HA CYS 46 3.564 -3.458 -0.718
334 HB2 CYS 46 HB2 CYS 46 3.187 -0.464 -0.547
335 HB3 CYS 46 HB3 CYS 46 2.281 -1.616 0.423
336 H ASN 47 H ASN 47 1.553 -4.213 -1.012
337 HA ASN 47 HA ASN 47 0.143 -3.273 -3.389
338 HB2 ASN 47 HB2 ASN 47 0.516 -5.760 -3.068
339 HB3 ASN 47 HB3 ASN 47 -0.488 -5.665 -1.627
340 HD21 ASN 47 HD21 ASN 47 -2.751 -5.468 -1.875
341 HD22 ASN 47 HD22 ASN 47 -3.486 -5.672 -3.410
342 H CYS 48 H CYS 48 -1.012 -1.579 -2.913
343 HA CYS 48 HA CYS 48 -2.289 -1.307 -0.341
344 HB2 CYS 48 HB2 CYS 48 -2.445 0.552 -2.716
345 HB3 CYS 48 HB3 CYS 48 -2.664 0.907 -0.998
346 H HIS 49 H HIS 49 -4.513 -1.339 -0.110
347 HA HIS 49 HA HIS 49 -6.002 -2.332 -2.410
348 HB2 HIS 49 HB2 HIS 49 -6.462 -2.725 0.565
349 HB3 HIS 49 HB3 HIS 49 -7.583 -3.256 -0.680
350 HD1 HIS 49 HD3 HIS 49 -7.289 -5.688 -1.342
351 HD2 HIS 49 HD2 HIS 49 -3.821 -4.012 0.238
352 HE1 HIS 49 HE1 HIS 49 -5.642 -7.550 -1.202
353 H ILE 50 H ILE 50 -6.714 -0.531 -3.247
354 HA ILE 50 HA ILE 50 -7.548 1.671 -1.557
355 HB ILE 50 HB ILE 50 -8.029 1.619 -4.520
356 HG12 ILE 50 HG12 ILE 50 -5.675 0.811 -4.264
357 HG13 ILE 50 HG13 ILE 50 -5.756 2.399 -5.005
358 HG21 ILE 50 HG21 ILE 50 -8.809 3.493 -3.188
359 HG22 ILE 50 HG22 ILE 50 -7.477 4.028 -4.240
360 HG23 ILE 50 HG23 ILE 50 -7.185 3.679 -2.526
361 HD11 ILE 50 HD11 ILE 50 -3.927 2.247 -3.437
362 HD12 ILE 50 HD12 ILE 50 -5.039 1.801 -2.141
363 HD13 ILE 50 HD13 ILE 50 -5.123 3.410 -2.861
364 H ILE 51 H ILE 51 -9.555 1.774 -0.813
365 HA ILE 51 HA ILE 51 -11.474 -0.203 -1.439
366 HB ILE 51 HB ILE 51 -11.865 2.382 0.102
367 HG12 ILE 51 HG12 ILE 51 -11.294 -0.416 1.087
368 HG13 ILE 51 HG13 ILE 51 -10.107 0.879 1.016
369 HG21 ILE 51 HG21 ILE 51 -13.551 -0.132 0.041
370 HG22 ILE 51 HG22 ILE 51 -13.998 1.424 -0.652
371 HG23 ILE 51 HG23 ILE 51 -13.819 1.257 1.096
372 HD11 ILE 51 HD11 ILE 51 -10.962 0.568 3.269
373 HD12 ILE 51 HD12 ILE 51 -12.606 0.852 2.693
374 HD13 ILE 51 HD13 ILE 51 -11.417 2.153 2.639
375 H ILE 52 H ILE 52 -12.846 -0.317 -3.027
376 HA ILE 52 HA ILE 52 -13.572 2.120 -4.509
377 HB ILE 52 HB ILE 52 -14.177 -0.758 -5.201
378 HG12 ILE 52 HG12 ILE 52 -11.918 0.934 -6.293
379 HG13 ILE 52 HG13 ILE 52 -11.720 -0.365 -5.123
380 HG21 ILE 52 HG21 ILE 52 -15.640 0.818 -6.292
381 HG22 ILE 52 HG22 ILE 52 -14.517 0.161 -7.487
382 HG23 ILE 52 HG23 ILE 52 -14.261 1.776 -6.822
383 HD11 ILE 52 HD11 ILE 52 -12.560 -1.968 -6.773
384 HD12 ILE 52 HD12 ILE 52 -11.138 -1.104 -7.348
385 HD13 ILE 52 HD13 ILE 52 -12.739 -0.656 -7.941
386 H HIS 53 H HIS 53 -14.958 -0.921 -3.358
387 HA HIS 53 HA HIS 53 -17.290 0.404 -2.287
388 HB2 HIS 53 HB2 HIS 53 -17.395 -1.975 -4.183
389 HB3 HIS 53 HB3 HIS 53 -18.753 -1.379 -3.250
390 HD1 HIS 53 HD3 HIS 53 -17.391 -1.257 -6.524
391 HD2 HIS 53 HD2 HIS 53 -19.318 1.463 -4.041
392 HE1 HIS 53 HE1 HIS 53 -18.300 0.543 -8.039
Start of MODEL 4
1 H1 GLU 1 1HT GLU 1 -12.642 -6.342 -3.916
2 H2 GLU 1 2HT GLU 1 -14.166 -6.679 -3.246
3 H3 GLU 1 3HT GLU 1 -13.074 -5.666 -2.443
4 HA GLU 1 HA GLU 1 -14.175 -4.983 -5.064
5 HB2 GLU 1 HB2 GLU 1 -15.625 -3.391 -3.810
6 HB3 GLU 1 HB3 GLU 1 -16.034 -5.067 -3.511
7 HG2 GLU 1 HG2 GLU 1 -14.890 -4.968 -1.359
8 HG3 GLU 1 HG3 GLU 1 -14.434 -3.296 -1.676
9 H GLU 2 H GLU 2 -11.403 -4.910 -4.103
10 HA GLU 2 HA GLU 2 -11.082 -2.027 -3.672
11 HB2 GLU 2 HB2 GLU 2 -9.103 -4.198 -2.916
12 HB3 GLU 2 HB3 GLU 2 -8.955 -2.489 -2.588
13 HG2 GLU 2 HG2 GLU 2 -9.521 -3.441 -0.534
14 HG3 GLU 2 HG3 GLU 2 -11.042 -2.777 -1.129
15 H THR 3 H THR 3 -9.064 -1.198 -4.623
16 HA THR 3 HA THR 3 -8.376 -2.658 -7.042
17 HB THR 3 HB THR 3 -9.172 -0.301 -7.398
18 HG1 THR 3 HG1 THR 3 -6.433 -0.224 -8.095
19 HG21 THR 3 HG21 THR 3 -7.682 1.591 -6.770
20 HG22 THR 3 HG22 THR 3 -6.742 0.468 -5.778
21 HG23 THR 3 HG23 THR 3 -8.437 0.783 -5.401
22 H GLU 4 H GLU 4 -6.378 -3.435 -7.231
23 HA GLU 4 HA GLU 4 -4.701 -3.373 -4.848
24 HB2 GLU 4 HB2 GLU 4 -4.311 -4.939 -7.398
25 HB3 GLU 4 HB3 GLU 4 -3.516 -5.188 -5.847
26 HG2 GLU 4 HG2 GLU 4 -6.457 -5.577 -6.375
27 HG3 GLU 4 HG3 GLU 4 -5.260 -6.866 -6.335
28 H GLU 5 H GLU 5 -3.368 -1.690 -4.804
29 HA GLU 5 HA GLU 5 -2.129 -0.858 -7.336
30 HB2 GLU 5 HB2 GLU 5 -2.579 0.731 -4.833
31 HB3 GLU 5 HB3 GLU 5 -1.730 1.315 -6.247
32 HG2 GLU 5 HG2 GLU 5 -4.636 0.550 -6.035
33 HG3 GLU 5 HG3 GLU 5 -3.981 2.177 -6.201
34 HA PRO 6 HA PRO 6 1.613 -2.322 -5.182
35 HB2 PRO 6 HB2 PRO 6 2.672 -2.209 -7.937
36 HB3 PRO 6 HB3 PRO 6 2.663 -3.569 -6.808
37 HG2 PRO 6 HG2 PRO 6 1.075 -3.559 -8.964
38 HG3 PRO 6 HG3 PRO 6 0.533 -4.239 -7.419
39 HD2 PRO 6 HD2 PRO 6 -0.087 -1.560 -8.622
40 HD3 PRO 6 HD3 PRO 6 -1.172 -2.717 -7.819
41 H ILE 7 H ILE 7 2.603 -0.694 -4.250
42 HA ILE 7 HA ILE 7 3.371 1.698 -5.800
43 HB ILE 7 HB ILE 7 3.216 3.012 -3.729
44 HG12 ILE 7 HG12 ILE 7 2.378 0.525 -2.277
45 HG13 ILE 7 HG13 ILE 7 4.080 0.986 -2.334
46 HG21 ILE 7 HG21 ILE 7 0.963 2.705 -3.125
47 HG22 ILE 7 HG22 ILE 7 0.886 1.221 -4.089
48 HG23 ILE 7 HG23 ILE 7 1.199 2.776 -4.876
49 HD11 ILE 7 HD11 ILE 7 3.034 1.755 -0.308
50 HD12 ILE 7 HD12 ILE 7 1.819 2.631 -1.269
51 HD13 ILE 7 HD13 ILE 7 3.522 3.104 -1.344
52 H ARG 8 H ARG 8 5.340 2.711 -5.081
53 HA ARG 8 HA ARG 8 7.457 0.786 -4.574
54 HB2 ARG 8 HB2 ARG 8 7.501 3.760 -5.189
55 HB3 ARG 8 HB3 ARG 8 8.911 2.724 -5.024
56 HG2 ARG 8 HG2 ARG 8 8.412 1.534 -6.973
57 HG3 ARG 8 HG3 ARG 8 6.797 2.243 -7.092
58 HD2 ARG 8 HD2 ARG 8 9.334 3.856 -7.210
59 HD3 ARG 8 HD3 ARG 8 8.559 3.196 -8.645
60 HE ARG 8 HE ARG 8 6.564 4.511 -7.954
61 HH11 ARG 8 HH11 ARG 8 9.770 5.611 -6.890
62 HH12 ARG 8 HH12 ARG 8 9.334 7.241 -6.831
63 HH21 ARG 8 HH21 ARG 8 6.008 6.762 -7.924
64 HH22 ARG 8 HH22 ARG 8 7.174 7.927 -7.476
65 H HIS 9 H HIS 9 8.572 0.714 -2.621
66 HA HIS 9 HA HIS 9 8.127 2.888 -0.715
67 HB2 HIS 9 HB2 HIS 9 6.570 0.966 -0.171
68 HB3 HIS 9 HB3 HIS 9 7.990 -0.046 0.061
69 HD1 HIS 9 HD3 HIS 9 9.295 0.263 2.300
70 HD2 HIS 9 HD2 HIS 9 6.095 2.861 1.823
71 HE1 HIS 9 HE1 HIS 9 8.971 1.394 4.535
72 H ALA 10 H ALA 10 9.901 3.263 0.636
73 HA ALA 10 HA ALA 10 12.352 2.133 -0.375
74 HB1 ALA 10 HB1 ALA 10 13.506 3.870 0.834
75 HB2 ALA 10 HB2 ALA 10 12.006 4.355 1.635
76 HB3 ALA 10 HB3 ALA 10 12.189 4.565 -0.111
77 H LYS 11 H LYS 11 11.723 0.025 0.535
78 HA LYS 11 HA LYS 11 13.528 -0.740 2.406
79 HB2 LYS 11 HB2 LYS 11 11.999 0.164 4.148
80 HB3 LYS 11 HB3 LYS 11 10.656 -0.732 3.452
81 HG2 LYS 11 HG2 LYS 11 11.640 -2.829 4.084
82 HG3 LYS 11 HG3 LYS 11 13.120 -2.028 4.598
83 HD2 LYS 11 HD2 LYS 11 10.448 -1.471 5.858
84 HD3 LYS 11 HD3 LYS 11 11.524 -2.752 6.425
85 HE2 LYS 11 HE2 LYS 11 13.271 -1.066 6.813
86 HE3 LYS 11 HE3 LYS 11 12.162 0.197 6.280
87 HZ1 LYS 11 HZ1 LYS 11 11.669 -1.601 8.590
88 HZ2 LYS 11 HZ2 LYS 11 10.721 -0.288 8.108
89 HZ3 LYS 11 HZ3 LYS 11 12.294 -0.039 8.698
90 H LYS 12 H LYS 12 13.761 -2.937 2.146
91 HA LYS 12 HA LYS 12 12.662 -3.978 -0.228
92 HB2 LYS 12 HB2 LYS 12 14.899 -4.552 0.868
93 HB3 LYS 12 HB3 LYS 12 13.983 -5.617 1.927
94 HG2 LYS 12 HG2 LYS 12 13.198 -6.886 0.024
95 HG3 LYS 12 HG3 LYS 12 14.029 -5.764 -1.058
96 HD2 LYS 12 HD2 LYS 12 15.519 -7.544 -0.936
97 HD3 LYS 12 HD3 LYS 12 16.095 -6.364 0.253
98 HE2 LYS 12 HE2 LYS 12 16.227 -8.624 1.143
99 HE3 LYS 12 HE3 LYS 12 15.089 -7.633 2.051
100 HZ1 LYS 12 HZ1 LYS 12 13.313 -8.774 1.256
101 HZ2 LYS 12 HZ2 LYS 12 14.428 -10.032 1.354
102 HZ3 LYS 12 HZ3 LYS 12 14.063 -9.293 -0.146
103 H ASN 13 H ASN 13 12.252 -4.908 3.097
104 HA ASN 13 HA ASN 13 9.551 -5.852 2.392
105 HB2 ASN 13 HB2 ASN 13 11.410 -7.164 4.389
106 HB3 ASN 13 HB3 ASN 13 9.709 -7.572 4.204
107 HD21 ASN 13 HD21 ASN 13 9.043 -8.635 2.287
108 HD22 ASN 13 HD22 ASN 13 10.180 -9.454 1.297
109 HA PRO 14 HA PRO 14 8.913 -2.835 5.667
110 HB2 PRO 14 HB2 PRO 14 6.625 -1.891 4.268
111 HB3 PRO 14 HB3 PRO 14 8.198 -1.106 4.396
112 HG2 PRO 14 HG2 PRO 14 7.122 -2.128 2.052
113 HG3 PRO 14 HG3 PRO 14 8.842 -1.812 2.326
114 HD2 PRO 14 HD2 PRO 14 7.333 -4.385 2.493
115 HD3 PRO 14 HD3 PRO 14 8.967 -4.050 1.863
116 H SER 15 H SER 15 7.270 -2.616 7.173
117 HA SER 15 HA SER 15 5.587 -4.923 7.466
118 HB2 SER 15 HB2 SER 15 6.802 -3.925 9.403
119 HB3 SER 15 HB3 SER 15 5.873 -2.444 9.204
120 HG SER 15 HG SER 15 4.983 -5.005 10.019
121 H GLU 16 H GLU 16 3.244 -4.560 8.046
122 HA GLU 16 HA GLU 16 1.788 -3.463 5.968
123 HB2 GLU 16 HB2 GLU 16 0.852 -5.108 7.535
124 HB3 GLU 16 HB3 GLU 16 0.882 -3.907 8.820
125 HG2 GLU 16 HG2 GLU 16 -0.660 -2.513 7.426
126 HG3 GLU 16 HG3 GLU 16 -0.807 -3.880 6.332
127 H GLY 17 H GLY 17 2.581 -2.037 9.113
128 HA2 GLY 17 HA2 GLY 17 1.033 0.285 8.867
129 HA3 GLY 17 HA3 GLY 17 2.445 0.116 9.906
130 H GLU 18 H GLU 18 4.334 -0.353 7.881
131 HA GLU 18 HA GLU 18 5.002 2.303 7.172
132 HB2 GLU 18 HB2 GLU 18 6.130 -0.303 6.108
133 HB3 GLU 18 HB3 GLU 18 6.895 1.276 5.985
134 HG2 GLU 18 HG2 GLU 18 7.088 1.376 8.418
135 HG3 GLU 18 HG3 GLU 18 6.306 -0.195 8.548
136 H CYS 19 H CYS 19 3.971 -0.506 5.274
137 HA CYS 19 HA CYS 19 3.750 0.761 2.797
138 HB2 CYS 19 HB2 CYS 19 2.186 -1.619 3.857
139 HB3 CYS 19 HB3 CYS 19 2.195 -1.082 2.206
140 H LYS 20 H LYS 20 1.367 0.282 5.363
141 HA LYS 20 HA LYS 20 -0.881 1.217 4.050
142 HB2 LYS 20 HB2 LYS 20 -0.849 -0.033 6.149
143 HB3 LYS 20 HB3 LYS 20 -0.230 1.374 6.991
144 HG2 LYS 20 HG2 LYS 20 -2.328 2.572 6.445
145 HG3 LYS 20 HG3 LYS 20 -2.939 1.099 5.688
146 HD2 LYS 20 HD2 LYS 20 -2.155 1.444 8.586
147 HD3 LYS 20 HD3 LYS 20 -3.795 1.270 7.966
148 HE2 LYS 20 HE2 LYS 20 -3.203 -0.994 7.135
149 HE3 LYS 20 HE3 LYS 20 -1.592 -0.782 7.814
150 HZ1 LYS 20 HZ1 LYS 20 -2.674 -0.561 10.021
151 HZ2 LYS 20 HZ2 LYS 20 -2.837 -2.068 9.283
152 HZ3 LYS 20 HZ3 LYS 20 -4.140 -1.009 9.289
153 H LYS 21 H LYS 21 1.445 2.931 6.096
154 HA LYS 21 HA LYS 21 0.106 5.408 5.947
155 HB2 LYS 21 HB2 LYS 21 1.692 4.883 7.746
156 HB3 LYS 21 HB3 LYS 21 3.001 4.838 6.577
157 HG2 LYS 21 HG2 LYS 21 2.833 7.184 6.180
158 HG3 LYS 21 HG3 LYS 21 1.338 7.289 7.108
159 HD2 LYS 21 HD2 LYS 21 3.223 8.135 8.396
160 HD3 LYS 21 HD3 LYS 21 2.551 6.691 9.142
161 HE2 LYS 21 HE2 LYS 21 4.968 6.621 9.208
162 HE3 LYS 21 HE3 LYS 21 4.367 5.350 8.150
163 HZ1 LYS 21 HZ1 LYS 21 6.274 6.478 7.222
164 HZ2 LYS 21 HZ2 LYS 21 5.494 7.960 7.283
165 HZ3 LYS 21 HZ3 LYS 21 4.940 6.763 6.237
166 H ALA 22 H ALA 22 2.686 3.950 4.014
167 HA ALA 22 HA ALA 22 3.117 6.208 2.375
168 HB1 ALA 22 HB1 ALA 22 3.475 3.284 1.694
169 HB2 ALA 22 HB2 ALA 22 4.678 4.322 2.463
170 HB3 ALA 22 HB3 ALA 22 4.166 4.645 0.806
171 H CYS 23 H CYS 23 0.981 3.394 2.016
172 HA CYS 23 HA CYS 23 -0.254 3.995 -0.401
173 HB2 CYS 23 HB2 CYS 23 -1.434 2.693 2.060
174 HB3 CYS 23 HB3 CYS 23 -2.206 2.713 0.483
175 H ALA 24 H ALA 24 -1.032 5.051 2.858
176 HA ALA 24 HA ALA 24 -3.387 6.417 2.267
177 HB1 ALA 24 HB1 ALA 24 -3.068 7.494 4.421
178 HB2 ALA 24 HB2 ALA 24 -1.390 6.948 4.452
179 HB3 ALA 24 HB3 ALA 24 -2.703 5.769 4.504
180 H ASP 25 H ASP 25 -0.125 7.725 2.811
181 HA ASP 25 HA ASP 25 -0.695 10.392 2.225
182 HB2 ASP 25 HB2 ASP 25 1.376 9.791 3.325
183 HB3 ASP 25 HB3 ASP 25 1.911 8.898 1.908
184 H ALA 26 H ALA 26 0.337 7.816 0.068
185 HA ALA 26 HA ALA 26 0.615 9.554 -2.165
186 HB1 ALA 26 HB1 ALA 26 1.023 7.561 -3.453
187 HB2 ALA 26 HB2 ALA 26 0.438 6.555 -2.127
188 HB3 ALA 26 HB3 ALA 26 1.917 7.493 -1.933
189 H PHE 27 H PHE 27 -2.156 7.977 -0.770
190 HA PHE 27 HA PHE 27 -3.453 8.317 -3.383
191 HB2 PHE 27 HB2 PHE 27 -3.743 6.015 -1.506
192 HB3 PHE 27 HB3 PHE 27 -4.966 6.379 -2.720
193 HD1 PHE 27 HD1 PHE 27 -1.717 4.808 -2.124
194 HD2 PHE 27 HD2 PHE 27 -4.279 6.503 -5.103
195 HE1 PHE 27 HE1 PHE 27 -0.508 3.667 -3.829
196 HE2 PHE 27 HE2 PHE 27 -3.015 5.350 -6.822
197 HZ PHE 27 HZ PHE 27 -1.104 3.913 -6.183
198 H ALA 28 H ALA 28 -4.098 8.346 0.083
199 HA ALA 28 HA ALA 28 -6.637 9.674 -0.558
200 HB1 ALA 28 HB1 ALA 28 -7.549 8.731 1.484
201 HB2 ALA 28 HB2 ALA 28 -5.993 7.992 1.862
202 HB3 ALA 28 HB3 ALA 28 -6.908 7.450 0.453
203 H ASN 29 H ASN 29 -3.944 10.803 -0.152
204 HA ASN 29 HA ASN 29 -2.942 12.610 0.754
205 HB2 ASN 29 HB2 ASN 29 -5.786 13.294 1.524
206 HB3 ASN 29 HB3 ASN 29 -4.439 14.378 1.823
207 HD21 ASN 29 HD21 ASN 29 -5.289 15.973 0.491
208 HD22 ASN 29 HD22 ASN 29 -5.306 15.816 -1.228
209 H GLY 30 H GLY 30 -3.423 10.183 2.444
210 HA2 GLY 30 HA2 GLY 30 -2.020 10.026 4.463
211 HA3 GLY 30 HA3 GLY 30 -2.809 11.498 5.013
212 H ASP 31 H ASP 31 -5.350 10.190 3.765
213 HA ASP 31 HA ASP 31 -6.278 9.132 6.240
214 HB2 ASP 31 HB2 ASP 31 -7.867 10.308 4.900
215 HB3 ASP 31 HB3 ASP 31 -7.575 9.257 3.518
216 H GLN 32 H GLN 32 -6.268 7.167 6.962
217 HA GLN 32 HA GLN 32 -5.323 5.033 5.202
218 HB2 GLN 32 HB2 GLN 32 -5.487 5.094 8.219
219 HB3 GLN 32 HB3 GLN 32 -4.717 3.853 7.244
220 HG2 GLN 32 HG2 GLN 32 -3.104 5.521 6.435
221 HG3 GLN 32 HG3 GLN 32 -3.857 6.729 7.472
222 HE21 GLN 32 HE21 GLN 32 -1.159 5.809 7.464
223 HE22 GLN 32 HE22 GLN 32 -0.838 5.152 9.030
224 H SER 33 H SER 33 -8.203 6.183 5.808
225 HA SER 33 HA SER 33 -9.515 3.849 6.890
226 HB2 SER 33 HB2 SER 33 -10.805 6.316 5.731
227 HB3 SER 33 HB3 SER 33 -11.485 5.187 6.905
228 HG SER 33 HG SER 33 -9.742 7.264 7.186
229 H LYS 34 H LYS 34 -9.195 5.580 3.844
230 HA LYS 34 HA LYS 34 -10.988 3.945 2.360
231 HB2 LYS 34 HB2 LYS 34 -10.244 6.265 1.754
232 HB3 LYS 34 HB3 LYS 34 -8.676 5.599 1.330
233 HG2 LYS 34 HG2 LYS 34 -9.696 4.265 -0.420
234 HG3 LYS 34 HG3 LYS 34 -11.287 4.873 0.035
235 HD2 LYS 34 HD2 LYS 34 -10.505 7.161 -0.458
236 HD3 LYS 34 HD3 LYS 34 -8.977 6.487 -1.027
237 HE2 LYS 34 HE2 LYS 34 -10.183 5.217 -2.731
238 HE3 LYS 34 HE3 LYS 34 -11.706 5.892 -2.153
239 HZ1 LYS 34 HZ1 LYS 34 -10.985 7.086 -4.050
240 HZ2 LYS 34 HZ2 LYS 34 -9.465 7.378 -3.409
241 HZ3 LYS 34 HZ3 LYS 34 -10.822 8.118 -2.724
242 H ILE 35 H ILE 35 -7.902 3.456 3.533
243 HA ILE 35 HA ILE 35 -7.112 1.462 1.570
244 HB ILE 35 HB ILE 35 -5.753 2.320 4.150
245 HG12 ILE 35 HG12 ILE 35 -5.843 4.205 2.592
246 HG13 ILE 35 HG13 ILE 35 -4.195 3.614 2.731
247 HG21 ILE 35 HG21 ILE 35 -3.743 1.244 3.242
248 HG22 ILE 35 HG22 ILE 35 -4.677 0.691 1.854
249 HG23 ILE 35 HG23 ILE 35 -5.063 0.097 3.467
250 HD11 ILE 35 HD11 ILE 35 -6.098 3.079 0.457
251 HD12 ILE 35 HD12 ILE 35 -4.463 2.439 0.589
252 HD13 ILE 35 HD13 ILE 35 -4.717 4.180 0.437
253 H ALA 36 H ALA 36 -7.803 -0.583 1.813
254 HA ALA 36 HA ALA 36 -9.186 -1.407 4.189
255 HB1 ALA 36 HB1 ALA 36 -9.459 -3.556 3.023
256 HB2 ALA 36 HB2 ALA 36 -8.333 -3.022 1.775
257 HB3 ALA 36 HB3 ALA 36 -9.884 -2.207 1.969
258 H LYS 37 H LYS 37 -6.169 -2.319 2.571
259 HA LYS 37 HA LYS 37 -4.871 -2.815 5.061
260 HB2 LYS 37 HB2 LYS 37 -6.245 -4.951 4.359
261 HB3 LYS 37 HB3 LYS 37 -4.999 -5.140 3.140
262 HG2 LYS 37 HG2 LYS 37 -3.299 -5.225 4.943
263 HG3 LYS 37 HG3 LYS 37 -4.601 -5.121 6.133
264 HD2 LYS 37 HD2 LYS 37 -5.579 -7.183 5.026
265 HD3 LYS 37 HD3 LYS 37 -4.053 -7.323 4.158
266 HE2 LYS 37 HE2 LYS 37 -4.425 -7.365 7.152
267 HE3 LYS 37 HE3 LYS 37 -4.060 -8.755 6.140
268 HZ1 LYS 37 HZ1 LYS 37 -1.911 -7.561 5.585
269 HZ2 LYS 37 HZ2 LYS 37 -2.110 -8.094 7.156
270 HZ3 LYS 37 HZ3 LYS 37 -2.319 -6.455 6.829
271 H ALA 38 H ALA 38 -2.554 -3.620 4.419
272 HA ALA 38 HA ALA 38 -1.790 -2.897 1.743
273 HB1 ALA 38 HB1 ALA 38 0.006 -1.448 2.567
274 HB2 ALA 38 HB2 ALA 38 -0.602 -1.629 4.215
275 HB3 ALA 38 HB3 ALA 38 -1.582 -0.810 2.993
276 H GLU 39 H GLU 39 -0.501 -4.380 1.089
277 HA GLU 39 HA GLU 39 0.794 -6.156 3.064
278 HB2 GLU 39 HB2 GLU 39 -0.484 -6.759 0.411
279 HB3 GLU 39 HB3 GLU 39 0.652 -7.863 1.159
280 HG2 GLU 39 HG2 GLU 39 -1.899 -6.921 2.443
281 HG3 GLU 39 HG3 GLU 39 -1.728 -8.425 1.538
282 H ASN 40 H ASN 40 2.779 -7.116 2.377
283 HA ASN 40 HA ASN 40 4.443 -5.387 0.820
284 HB2 ASN 40 HB2 ASN 40 5.343 -6.688 2.739
285 HB3 ASN 40 HB3 ASN 40 4.946 -8.181 1.899
286 HD21 ASN 40 HD21 ASN 40 6.352 -5.274 0.393
287 HD22 ASN 40 HD22 ASN 40 7.823 -6.035 -0.010
288 H PHE 41 H PHE 41 4.321 -5.399 -1.328
289 HA PHE 41 HA PHE 41 2.940 -7.547 -2.687
290 HB2 PHE 41 HB2 PHE 41 2.468 -5.213 -3.303
291 HB3 PHE 41 HB3 PHE 41 4.151 -4.982 -3.737
292 HD1 PHE 41 HD1 PHE 41 4.952 -5.558 -5.882
293 HD2 PHE 41 HD2 PHE 41 1.061 -6.805 -4.671
294 HE1 PHE 41 HE1 PHE 41 4.463 -6.276 -8.173
295 HE2 PHE 41 HE2 PHE 41 0.585 -7.516 -6.967
296 HZ PHE 41 HZ PHE 41 2.281 -7.255 -8.717
297 H LYS 42 H LYS 42 6.158 -6.171 -2.534
298 HA LYS 42 HA LYS 42 7.425 -8.511 -3.487
299 HB2 LYS 42 HB2 LYS 42 6.570 -7.566 -5.635
300 HB3 LYS 42 HB3 LYS 42 7.342 -6.038 -5.278
301 HG2 LYS 42 HG2 LYS 42 9.541 -7.211 -5.351
302 HG3 LYS 42 HG3 LYS 42 8.685 -8.663 -5.872
303 HD2 LYS 42 HD2 LYS 42 8.622 -6.015 -7.319
304 HD3 LYS 42 HD3 LYS 42 9.680 -7.352 -7.747
305 HE2 LYS 42 HE2 LYS 42 7.683 -8.754 -8.140
306 HE3 LYS 42 HE3 LYS 42 6.660 -7.369 -7.762
307 HZ1 LYS 42 HZ1 LYS 42 8.610 -7.508 -9.991
308 HZ2 LYS 42 HZ2 LYS 42 7.607 -6.199 -9.635
309 HZ3 LYS 42 HZ3 LYS 42 6.937 -7.655 -10.138
310 H ASP 43 H ASP 43 9.823 -7.955 -3.549
311 HA ASP 43 HA ASP 43 10.669 -6.478 -1.375
312 HB2 ASP 43 HB2 ASP 43 12.203 -7.214 -3.905
313 HB3 ASP 43 HB3 ASP 43 12.916 -6.669 -2.412
314 H TYR 44 H TYR 44 10.552 -4.418 -1.080
315 HA TYR 44 HA TYR 44 10.692 -2.194 -1.276
316 HB2 TYR 44 HB2 TYR 44 11.767 -2.763 -4.030
317 HB3 TYR 44 HB3 TYR 44 11.456 -1.123 -3.490
318 HD1 TYR 44 HD1 TYR 44 13.583 -4.059 -3.124
319 HD2 TYR 44 HD2 TYR 44 12.831 -0.105 -1.781
320 HE1 TYR 44 HE1 TYR 44 15.778 -4.016 -2.094
321 HE2 TYR 44 HE2 TYR 44 15.037 -0.017 -0.732
322 HH TYR 44 HH TYR 44 16.755 -1.578 0.106
323 H TYR 45 H TYR 45 8.363 -3.938 -2.294
324 HA TYR 45 HA TYR 45 6.821 -1.625 -3.247
325 HB2 TYR 45 HB2 TYR 45 6.720 -4.389 -4.440
326 HB3 TYR 45 HB3 TYR 45 5.558 -3.120 -4.777
327 HD1 TYR 45 HD1 TYR 45 6.306 -1.067 -5.934
328 HD2 TYR 45 HD2 TYR 45 8.829 -4.456 -5.571
329 HE1 TYR 45 HE1 TYR 45 7.712 -0.210 -7.762
330 HE2 TYR 45 HE2 TYR 45 10.233 -3.632 -7.384
331 HH TYR 45 HH TYR 45 10.025 -2.137 -9.321
332 H CYS 46 H CYS 46 4.755 -1.542 -2.689
333 HA CYS 46 HA CYS 46 3.772 -3.606 -0.837
334 HB2 CYS 46 HB2 CYS 46 3.402 -0.612 -0.549
335 HB3 CYS 46 HB3 CYS 46 2.660 -1.846 0.463
336 H ASN 47 H ASN 47 1.576 -4.004 -0.941
337 HA ASN 47 HA ASN 47 0.202 -3.037 -3.389
338 HB2 ASN 47 HB2 ASN 47 0.445 -5.538 -3.010
339 HB3 ASN 47 HB3 ASN 47 -0.519 -5.335 -1.553
340 HD21 ASN 47 HD21 ASN 47 -2.295 -6.425 -2.136
341 HD22 ASN 47 HD22 ASN 47 -3.340 -6.002 -3.428
342 H CYS 48 H CYS 48 -1.084 -1.447 -3.010
343 HA CYS 48 HA CYS 48 -2.207 -1.085 -0.359
344 HB2 CYS 48 HB2 CYS 48 -2.395 0.673 -2.816
345 HB3 CYS 48 HB3 CYS 48 -2.875 1.088 -1.171
346 H HIS 49 H HIS 49 -4.179 -1.810 0.070
347 HA HIS 49 HA HIS 49 -5.821 -2.738 -2.157
348 HB2 HIS 49 HB2 HIS 49 -6.150 -3.172 0.844
349 HB3 HIS 49 HB3 HIS 49 -7.086 -3.951 -0.418
350 HD1 HIS 49 HD3 HIS 49 -6.390 -6.356 -0.562
351 HD2 HIS 49 HD2 HIS 49 -3.171 -3.880 0.279
352 HE1 HIS 49 HE1 HIS 49 -4.386 -7.871 -0.275
353 H ILE 50 H ILE 50 -6.710 -0.859 -2.854
354 HA ILE 50 HA ILE 50 -7.694 0.998 -0.807
355 HB ILE 50 HB ILE 50 -7.584 1.575 -3.766
356 HG12 ILE 50 HG12 ILE 50 -5.399 2.133 -1.748
357 HG13 ILE 50 HG13 ILE 50 -5.329 0.842 -2.942
358 HG21 ILE 50 HG21 ILE 50 -7.450 3.887 -2.937
359 HG22 ILE 50 HG22 ILE 50 -7.456 3.257 -1.285
360 HG23 ILE 50 HG23 ILE 50 -8.888 3.060 -2.304
361 HD11 ILE 50 HD11 ILE 50 -5.484 3.790 -3.505
362 HD12 ILE 50 HD12 ILE 50 -5.525 2.507 -4.711
363 HD13 ILE 50 HD13 ILE 50 -4.076 2.738 -3.725
364 H ILE 51 H ILE 51 -9.787 1.170 -0.422
365 HA ILE 51 HA ILE 51 -11.651 -0.424 -1.891
366 HB ILE 51 HB ILE 51 -12.197 1.646 0.270
367 HG12 ILE 51 HG12 ILE 51 -11.767 -1.341 0.554
368 HG13 ILE 51 HG13 ILE 51 -10.595 -0.112 1.004
369 HG21 ILE 51 HG21 ILE 51 -14.172 0.998 -1.026
370 HG22 ILE 51 HG22 ILE 51 -14.260 0.349 0.613
371 HG23 ILE 51 HG23 ILE 51 -13.817 -0.705 -0.728
372 HD11 ILE 51 HD11 ILE 51 -13.317 -0.486 2.232
373 HD12 ILE 51 HD12 ILE 51 -12.132 0.738 2.693
374 HD13 ILE 51 HD13 ILE 51 -11.779 -0.972 2.944
375 H ILE 52 H ILE 52 -12.547 0.212 -3.703
376 HA ILE 52 HA ILE 52 -12.100 2.759 -4.823
377 HB ILE 52 HB ILE 52 -14.007 0.579 -5.750
378 HG12 ILE 52 HG12 ILE 52 -11.138 1.179 -6.528
379 HG13 ILE 52 HG13 ILE 52 -11.679 -0.188 -5.563
380 HG21 ILE 52 HG21 ILE 52 -14.531 2.744 -6.762
381 HG22 ILE 52 HG22 ILE 52 -13.850 1.637 -7.956
382 HG23 ILE 52 HG23 ILE 52 -12.852 2.920 -7.272
383 HD11 ILE 52 HD11 ILE 52 -12.917 -1.042 -7.508
384 HD12 ILE 52 HD12 ILE 52 -11.197 -0.870 -7.837
385 HD13 ILE 52 HD13 ILE 52 -12.337 0.324 -8.459
386 H HIS 53 H HIS 53 -14.886 1.354 -3.214
387 HA HIS 53 HA HIS 53 -15.909 4.018 -2.802
388 HB2 HIS 53 HB2 HIS 53 -17.189 3.201 -4.765
389 HB3 HIS 53 HB3 HIS 53 -17.654 1.766 -3.858
390 HD1 HIS 53 HD3 HIS 53 -19.855 1.947 -2.630
391 HD2 HIS 53 HD2 HIS 53 -18.198 5.651 -3.496
392 HE1 HIS 53 HE1 HIS 53 -21.541 3.651 -1.874
Start of MODEL 5
1 H1 GLU 1 1HT GLU 1 -16.848 -2.769 -3.101
2 H2 GLU 1 2HT GLU 1 -16.033 -1.323 -2.910
3 H3 GLU 1 3HT GLU 1 -15.507 -2.690 -2.076
4 HA GLU 1 HA GLU 1 -14.971 -3.762 -4.166
5 HB2 GLU 1 HB2 GLU 1 -16.502 -2.550 -5.609
6 HB3 GLU 1 HB3 GLU 1 -15.671 -1.038 -5.275
7 HG2 GLU 1 HG2 GLU 1 -13.716 -1.810 -6.451
8 HG3 GLU 1 HG3 GLU 1 -14.438 -3.399 -6.686
9 H GLU 2 H GLU 2 -12.900 -4.008 -3.964
10 HA GLU 2 HA GLU 2 -11.182 -1.679 -3.422
11 HB2 GLU 2 HB2 GLU 2 -10.931 -4.536 -2.496
12 HB3 GLU 2 HB3 GLU 2 -9.736 -3.277 -2.235
13 HG2 GLU 2 HG2 GLU 2 -10.998 -2.211 -0.676
14 HG3 GLU 2 HG3 GLU 2 -12.520 -2.857 -1.296
15 H THR 3 H THR 3 -9.081 -1.842 -4.341
16 HA THR 3 HA THR 3 -8.726 -3.908 -6.367
17 HB THR 3 HB THR 3 -9.537 -1.709 -7.391
18 HG1 THR 3 HG1 THR 3 -8.564 -2.884 -8.833
19 HG21 THR 3 HG21 THR 3 -7.879 0.128 -7.615
20 HG22 THR 3 HG22 THR 3 -6.798 -0.740 -6.526
21 HG23 THR 3 HG23 THR 3 -8.349 -0.144 -5.936
22 H GLU 4 H GLU 4 -6.507 -4.456 -6.655
23 HA GLU 4 HA GLU 4 -4.819 -3.596 -4.430
24 HB2 GLU 4 HB2 GLU 4 -4.718 -6.005 -6.231
25 HB3 GLU 4 HB3 GLU 4 -3.537 -5.639 -4.980
26 HG2 GLU 4 HG2 GLU 4 -5.176 -5.885 -3.267
27 HG3 GLU 4 HG3 GLU 4 -6.468 -6.036 -4.460
28 H GLU 5 H GLU 5 -3.358 -2.124 -4.926
29 HA GLU 5 HA GLU 5 -2.098 -2.280 -7.568
30 HB2 GLU 5 HB2 GLU 5 -3.744 -0.335 -7.364
31 HB3 GLU 5 HB3 GLU 5 -2.684 0.310 -6.124
32 HG2 GLU 5 HG2 GLU 5 -0.879 0.505 -7.685
33 HG3 GLU 5 HG3 GLU 5 -1.837 -0.259 -8.944
34 HA PRO 6 HA PRO 6 1.405 -2.302 -4.787
35 HB2 PRO 6 HB2 PRO 6 3.297 -2.973 -6.577
36 HB3 PRO 6 HB3 PRO 6 2.126 -4.123 -5.927
37 HG2 PRO 6 HG2 PRO 6 2.280 -2.917 -8.618
38 HG3 PRO 6 HG3 PRO 6 1.500 -4.419 -8.106
39 HD2 PRO 6 HD2 PRO 6 0.272 -1.872 -8.596
40 HD3 PRO 6 HD3 PRO 6 -0.500 -3.367 -8.037
41 H ILE 7 H ILE 7 2.177 -0.527 -4.077
42 HA ILE 7 HA ILE 7 3.082 1.620 -5.860
43 HB ILE 7 HB ILE 7 3.111 3.063 -3.871
44 HG12 ILE 7 HG12 ILE 7 2.359 0.651 -2.234
45 HG13 ILE 7 HG13 ILE 7 4.037 1.160 -2.399
46 HG21 ILE 7 HG21 ILE 7 1.037 2.786 -4.907
47 HG22 ILE 7 HG22 ILE 7 0.900 2.912 -3.135
48 HG23 ILE 7 HG23 ILE 7 0.710 1.346 -3.928
49 HD11 ILE 7 HD11 ILE 7 3.065 1.985 -0.371
50 HD12 ILE 7 HD12 ILE 7 1.788 2.797 -1.311
51 HD13 ILE 7 HD13 ILE 7 3.480 3.298 -1.485
52 H ARG 8 H ARG 8 5.124 2.678 -5.271
53 HA ARG 8 HA ARG 8 7.193 0.697 -4.740
54 HB2 ARG 8 HB2 ARG 8 7.454 3.587 -5.716
55 HB3 ARG 8 HB3 ARG 8 8.755 2.441 -5.477
56 HG2 ARG 8 HG2 ARG 8 8.258 2.752 -7.820
57 HG3 ARG 8 HG3 ARG 8 8.008 1.091 -7.311
58 HD2 ARG 8 HD2 ARG 8 6.256 1.865 -8.867
59 HD3 ARG 8 HD3 ARG 8 5.588 1.470 -7.287
60 HE ARG 8 HE ARG 8 6.067 4.128 -7.128
61 HH11 ARG 8 HH11 ARG 8 4.288 2.147 -9.450
62 HH12 ARG 8 HH12 ARG 8 3.144 3.342 -9.823
63 HH21 ARG 8 HH21 ARG 8 4.481 5.770 -7.606
64 HH22 ARG 8 HH22 ARG 8 3.267 5.483 -8.762
65 H HIS 9 H HIS 9 8.132 0.662 -2.799
66 HA HIS 9 HA HIS 9 7.582 2.914 -0.996
67 HB2 HIS 9 HB2 HIS 9 6.502 0.650 -0.453
68 HB3 HIS 9 HB3 HIS 9 8.130 0.060 -0.137
69 HD1 HIS 9 HD3 HIS 9 8.933 0.392 2.241
70 HD2 HIS 9 HD2 HIS 9 5.738 2.815 1.278
71 HE1 HIS 9 HE1 HIS 9 8.328 1.628 4.369
72 H ALA 10 H ALA 10 9.309 3.279 0.626
73 HA ALA 10 HA ALA 10 11.901 3.112 -0.670
74 HB1 ALA 10 HB1 ALA 10 12.633 4.659 1.003
75 HB2 ALA 10 HB2 ALA 10 11.077 4.554 1.839
76 HB3 ALA 10 HB3 ALA 10 11.173 5.253 0.210
77 H LYS 11 H LYS 11 10.575 0.792 0.780
78 HA LYS 11 HA LYS 11 12.907 0.113 2.405
79 HB2 LYS 11 HB2 LYS 11 10.032 -0.518 3.122
80 HB3 LYS 11 HB3 LYS 11 11.426 -1.200 3.906
81 HG2 LYS 11 HG2 LYS 11 10.717 1.722 3.893
82 HG3 LYS 11 HG3 LYS 11 10.379 0.597 5.206
83 HD2 LYS 11 HD2 LYS 11 12.847 0.146 5.302
84 HD3 LYS 11 HD3 LYS 11 13.064 1.493 4.179
85 HE2 LYS 11 HE2 LYS 11 13.393 2.283 6.423
86 HE3 LYS 11 HE3 LYS 11 11.891 2.952 5.787
87 HZ1 LYS 11 HZ1 LYS 11 11.609 2.181 8.054
88 HZ2 LYS 11 HZ2 LYS 11 12.114 0.634 7.630
89 HZ3 LYS 11 HZ3 LYS 11 10.666 1.202 7.063
90 H LYS 12 H LYS 12 13.704 -1.785 1.874
91 HA LYS 12 HA LYS 12 12.859 -3.253 -0.349
92 HB2 LYS 12 HB2 LYS 12 15.130 -3.318 0.558
93 HB3 LYS 12 HB3 LYS 12 14.546 -4.095 2.019
94 HG2 LYS 12 HG2 LYS 12 13.852 -6.042 0.673
95 HG3 LYS 12 HG3 LYS 12 14.521 -5.259 -0.760
96 HD2 LYS 12 HD2 LYS 12 16.088 -5.979 1.721
97 HD3 LYS 12 HD3 LYS 12 16.058 -6.925 0.235
98 HE2 LYS 12 HE2 LYS 12 17.002 -5.031 -0.989
99 HE3 LYS 12 HE3 LYS 12 17.018 -4.070 0.480
100 HZ1 LYS 12 HZ1 LYS 12 18.606 -6.535 -0.017
101 HZ2 LYS 12 HZ2 LYS 12 18.551 -5.716 1.437
102 HZ3 LYS 12 HZ3 LYS 12 19.194 -4.961 0.098
103 H ASN 13 H ASN 13 12.546 -3.820 3.100
104 HA ASN 13 HA ASN 13 10.204 -5.486 2.577
105 HB2 ASN 13 HB2 ASN 13 12.351 -6.022 4.645
106 HB3 ASN 13 HB3 ASN 13 10.794 -6.838 4.603
107 HD21 ASN 13 HD21 ASN 13 10.387 -8.332 2.963
108 HD22 ASN 13 HD22 ASN 13 11.656 -8.957 1.979
109 HA PRO 14 HA PRO 14 8.879 -2.414 5.572
110 HB2 PRO 14 HB2 PRO 14 6.551 -1.863 4.094
111 HB3 PRO 14 HB3 PRO 14 8.031 -0.914 4.097
112 HG2 PRO 14 HG2 PRO 14 6.982 -2.397 1.938
113 HG3 PRO 14 HG3 PRO 14 8.563 -1.621 2.015
114 HD2 PRO 14 HD2 PRO 14 7.824 -4.464 2.447
115 HD3 PRO 14 HD3 PRO 14 9.339 -3.759 1.835
116 H SER 15 H SER 15 7.357 -2.680 7.116
117 HA SER 15 HA SER 15 5.934 -5.172 7.215
118 HB2 SER 15 HB2 SER 15 5.177 -4.254 9.450
119 HB3 SER 15 HB3 SER 15 6.928 -4.363 9.257
120 HG SER 15 HG SER 15 7.038 -2.199 8.946
121 H GLU 16 H GLU 16 3.515 -4.996 7.989
122 HA GLU 16 HA GLU 16 2.075 -3.923 5.834
123 HB2 GLU 16 HB2 GLU 16 1.042 -4.816 8.532
124 HB3 GLU 16 HB3 GLU 16 0.057 -4.558 7.096
125 HG2 GLU 16 HG2 GLU 16 1.273 -6.336 5.942
126 HG3 GLU 16 HG3 GLU 16 2.247 -6.606 7.382
127 H GLY 17 H GLY 17 2.736 -2.689 9.047
128 HA2 GLY 17 HA2 GLY 17 0.975 -0.495 8.983
129 HA3 GLY 17 HA3 GLY 17 2.417 -0.623 9.986
130 H GLU 18 H GLU 18 4.336 -0.820 7.951
131 HA GLU 18 HA GLU 18 4.744 1.914 7.326
132 HB2 GLU 18 HB2 GLU 18 6.084 -0.549 6.206
133 HB3 GLU 18 HB3 GLU 18 6.662 1.100 5.999
134 HG2 GLU 18 HG2 GLU 18 7.011 1.307 8.372
135 HG3 GLU 18 HG3 GLU 18 6.340 -0.299 8.633
136 H CYS 19 H CYS 19 3.848 -0.888 5.384
137 HA CYS 19 HA CYS 19 3.585 0.437 2.955
138 HB2 CYS 19 HB2 CYS 19 2.242 -2.043 4.003
139 HB3 CYS 19 HB3 CYS 19 2.042 -1.482 2.353
140 H LYS 20 H LYS 20 1.143 -0.179 5.496
141 HA LYS 20 HA LYS 20 -0.973 0.943 4.030
142 HB2 LYS 20 HB2 LYS 20 -1.273 -0.602 5.953
143 HB3 LYS 20 HB3 LYS 20 -0.714 0.657 7.033
144 HG2 LYS 20 HG2 LYS 20 -2.663 1.932 6.739
145 HG3 LYS 20 HG3 LYS 20 -3.131 1.031 5.292
146 HD2 LYS 20 HD2 LYS 20 -3.525 -0.963 6.627
147 HD3 LYS 20 HD3 LYS 20 -2.983 -0.120 8.079
148 HE2 LYS 20 HE2 LYS 20 -5.311 0.811 6.423
149 HE3 LYS 20 HE3 LYS 20 -5.487 -0.356 7.729
150 HZ1 LYS 20 HZ1 LYS 20 -5.906 2.010 8.370
151 HZ2 LYS 20 HZ2 LYS 20 -4.240 2.319 8.184
152 HZ3 LYS 20 HZ3 LYS 20 -4.786 1.199 9.286
153 H LYS 21 H LYS 21 1.298 2.344 6.295
154 HA LYS 21 HA LYS 21 0.256 4.926 6.472
155 HB2 LYS 21 HB2 LYS 21 2.000 4.213 7.931
156 HB3 LYS 21 HB3 LYS 21 3.082 3.857 6.594
157 HG2 LYS 21 HG2 LYS 21 3.804 5.851 7.729
158 HG3 LYS 21 HG3 LYS 21 3.214 6.273 6.124
159 HD2 LYS 21 HD2 LYS 21 1.106 7.014 7.077
160 HD3 LYS 21 HD3 LYS 21 1.656 6.548 8.689
161 HE2 LYS 21 HE2 LYS 21 1.916 8.942 8.374
162 HE3 LYS 21 HE3 LYS 21 3.493 8.171 8.515
163 HZ1 LYS 21 HZ1 LYS 21 3.497 9.786 6.747
164 HZ2 LYS 21 HZ2 LYS 21 2.191 9.057 5.995
165 HZ3 LYS 21 HZ3 LYS 21 3.681 8.260 6.074
166 H ALA 22 H ALA 22 2.572 3.548 4.152
167 HA ALA 22 HA ALA 22 2.903 5.926 2.645
168 HB1 ALA 22 HB1 ALA 22 4.005 4.528 1.005
169 HB2 ALA 22 HB2 ALA 22 3.369 3.084 1.791
170 HB3 ALA 22 HB3 ALA 22 4.534 4.104 2.633
171 H CYS 23 H CYS 23 0.944 3.003 2.089
172 HA CYS 23 HA CYS 23 -0.217 3.665 -0.337
173 HB2 CYS 23 HB2 CYS 23 -1.448 2.178 1.991
174 HB3 CYS 23 HB3 CYS 23 -2.134 2.231 0.375
175 H ALA 24 H ALA 24 -1.158 4.572 2.917
176 HA ALA 24 HA ALA 24 -3.535 5.887 2.220
177 HB1 ALA 24 HB1 ALA 24 -3.377 6.853 4.430
178 HB2 ALA 24 HB2 ALA 24 -1.698 6.311 4.549
179 HB3 ALA 24 HB3 ALA 24 -3.007 5.126 4.438
180 H ASP 25 H ASP 25 -0.305 7.136 3.010
181 HA ASP 25 HA ASP 25 -0.921 9.843 2.676
182 HB2 ASP 25 HB2 ASP 25 1.134 8.841 3.792
183 HB3 ASP 25 HB3 ASP 25 1.806 8.670 2.175
184 H ALA 26 H ALA 26 0.284 7.491 0.365
185 HA ALA 26 HA ALA 26 0.639 9.445 -1.694
186 HB1 ALA 26 HB1 ALA 26 0.629 6.442 -1.913
187 HB2 ALA 26 HB2 ALA 26 2.041 7.440 -1.567
188 HB3 ALA 26 HB3 ALA 26 1.222 7.581 -3.123
189 H PHE 27 H PHE 27 -2.118 7.647 -0.598
190 HA PHE 27 HA PHE 27 -3.321 8.081 -3.243
191 HB2 PHE 27 HB2 PHE 27 -3.760 5.883 -1.288
192 HB3 PHE 27 HB3 PHE 27 -5.060 6.330 -2.391
193 HD1 PHE 27 HD1 PHE 27 -1.739 4.744 -2.120
194 HD2 PHE 27 HD2 PHE 27 -4.789 6.108 -4.770
195 HE1 PHE 27 HE1 PHE 27 -0.766 3.453 -3.933
196 HE2 PHE 27 HE2 PHE 27 -3.789 4.816 -6.578
197 HZ PHE 27 HZ PHE 27 -1.774 3.477 -6.168
198 H ALA 28 H ALA 28 -4.002 8.326 0.190
199 HA ALA 28 HA ALA 28 -6.360 9.940 -0.489
200 HB1 ALA 28 HB1 ALA 28 -7.237 9.326 1.697
201 HB2 ALA 28 HB2 ALA 28 -5.768 8.416 2.040
202 HB3 ALA 28 HB3 ALA 28 -6.847 7.897 0.745
203 H ASN 29 H ASN 29 -3.303 10.370 0.152
204 HA ASN 29 HA ASN 29 -2.012 12.077 0.793
205 HB2 ASN 29 HB2 ASN 29 -4.636 13.546 1.061
206 HB3 ASN 29 HB3 ASN 29 -3.087 14.318 1.373
207 HD21 ASN 29 HD21 ASN 29 -5.081 14.900 -0.672
208 HD22 ASN 29 HD22 ASN 29 -4.270 14.792 -2.176
209 H GLY 30 H GLY 30 -3.327 10.208 2.813
210 HA2 GLY 30 HA2 GLY 30 -1.790 10.424 4.915
211 HA3 GLY 30 HA3 GLY 30 -2.838 11.804 5.224
212 H ASP 31 H ASP 31 -5.201 10.688 4.259
213 HA ASP 31 HA ASP 31 -6.117 9.309 6.529
214 HB2 ASP 31 HB2 ASP 31 -7.697 10.590 5.285
215 HB3 ASP 31 HB3 ASP 31 -7.349 9.697 3.808
216 H GLN 32 H GLN 32 -6.187 7.246 7.049
217 HA GLN 32 HA GLN 32 -5.187 5.300 5.121
218 HB2 GLN 32 HB2 GLN 32 -5.473 5.121 8.115
219 HB3 GLN 32 HB3 GLN 32 -4.869 3.834 7.087
220 HG2 GLN 32 HG2 GLN 32 -3.077 5.523 6.363
221 HG3 GLN 32 HG3 GLN 32 -3.603 6.461 7.754
222 HE21 GLN 32 HE21 GLN 32 -1.504 6.162 8.679
223 HE22 GLN 32 HE22 GLN 32 -1.114 4.657 9.426
224 H SER 33 H SER 33 -8.111 6.365 5.533
225 HA SER 33 HA SER 33 -9.458 3.904 6.291
226 HB2 SER 33 HB2 SER 33 -10.696 6.483 5.340
227 HB3 SER 33 HB3 SER 33 -11.436 5.222 6.330
228 HG SER 33 HG SER 33 -9.651 7.238 6.985
229 H LYS 34 H LYS 34 -8.670 5.860 3.549
230 HA LYS 34 HA LYS 34 -10.366 4.675 1.610
231 HB2 LYS 34 HB2 LYS 34 -9.215 6.875 1.389
232 HB3 LYS 34 HB3 LYS 34 -7.687 6.030 1.259
233 HG2 LYS 34 HG2 LYS 34 -8.444 6.786 -0.918
234 HG3 LYS 34 HG3 LYS 34 -8.424 5.025 -0.851
235 HD2 LYS 34 HD2 LYS 34 -10.825 4.967 -0.550
236 HD3 LYS 34 HD3 LYS 34 -10.886 6.729 -0.447
237 HE2 LYS 34 HE2 LYS 34 -10.172 6.933 -2.737
238 HE3 LYS 34 HE3 LYS 34 -9.922 5.192 -2.858
239 HZ1 LYS 34 HZ1 LYS 34 -12.548 6.519 -2.404
240 HZ2 LYS 34 HZ2 LYS 34 -12.270 4.862 -2.573
241 HZ3 LYS 34 HZ3 LYS 34 -12.006 5.887 -3.872
242 H ILE 35 H ILE 35 -7.560 3.587 3.164
243 HA ILE 35 HA ILE 35 -7.054 1.492 1.164
244 HB ILE 35 HB ILE 35 -5.288 2.460 3.440
245 HG12 ILE 35 HG12 ILE 35 -5.419 4.136 1.663
246 HG13 ILE 35 HG13 ILE 35 -3.823 3.400 1.696
247 HG21 ILE 35 HG21 ILE 35 -3.529 1.062 2.452
248 HG22 ILE 35 HG22 ILE 35 -4.685 0.459 1.265
249 HG23 ILE 35 HG23 ILE 35 -4.915 0.105 2.977
250 HD11 ILE 35 HD11 ILE 35 -4.578 3.725 -0.583
251 HD12 ILE 35 HD12 ILE 35 -6.037 2.792 -0.257
252 HD13 ILE 35 HD13 ILE 35 -4.461 1.998 -0.228
253 H ALA 36 H ALA 36 -7.841 -0.451 1.694
254 HA ALA 36 HA ALA 36 -8.990 -0.841 4.310
255 HB1 ALA 36 HB1 ALA 36 -8.887 -2.722 1.961
256 HB2 ALA 36 HB2 ALA 36 -10.184 -1.581 2.302
257 HB3 ALA 36 HB3 ALA 36 -9.873 -2.920 3.409
258 H LYS 37 H LYS 37 -6.400 -2.178 2.395
259 HA LYS 37 HA LYS 37 -5.121 -3.285 4.742
260 HB2 LYS 37 HB2 LYS 37 -6.610 -5.099 3.935
261 HB3 LYS 37 HB3 LYS 37 -5.951 -4.928 2.323
262 HG2 LYS 37 HG2 LYS 37 -5.046 -6.908 3.376
263 HG3 LYS 37 HG3 LYS 37 -3.762 -5.720 3.175
264 HD2 LYS 37 HD2 LYS 37 -3.911 -5.098 5.486
265 HD3 LYS 37 HD3 LYS 37 -5.314 -6.135 5.723
266 HE2 LYS 37 HE2 LYS 37 -3.266 -7.158 6.607
267 HE3 LYS 37 HE3 LYS 37 -3.950 -8.109 5.297
268 HZ1 LYS 37 HZ1 LYS 37 -1.452 -7.595 5.466
269 HZ2 LYS 37 HZ2 LYS 37 -1.803 -6.159 4.667
270 HZ3 LYS 37 HZ3 LYS 37 -2.157 -7.683 3.958
271 H ALA 38 H ALA 38 -2.878 -3.457 4.337
272 HA ALA 38 HA ALA 38 -1.981 -3.048 1.615
273 HB1 ALA 38 HB1 ALA 38 -0.253 -1.511 2.401
274 HB2 ALA 38 HB2 ALA 38 -0.955 -1.550 4.022
275 HB3 ALA 38 HB3 ALA 38 -1.870 -0.869 2.669
276 H GLU 39 H GLU 39 0.190 -3.908 1.355
277 HA GLU 39 HA GLU 39 1.218 -5.552 3.534
278 HB2 GLU 39 HB2 GLU 39 -0.821 -6.663 2.616
279 HB3 GLU 39 HB3 GLU 39 0.004 -6.789 1.082
280 HG2 GLU 39 HG2 GLU 39 1.604 -8.290 2.018
281 HG3 GLU 39 HG3 GLU 39 0.925 -8.054 3.637
282 H ASN 40 H ASN 40 3.266 -6.552 2.931
283 HA ASN 40 HA ASN 40 4.777 -5.149 0.980
284 HB2 ASN 40 HB2 ASN 40 5.825 -6.176 2.978
285 HB3 ASN 40 HB3 ASN 40 5.371 -7.770 2.398
286 HD21 ASN 40 HD21 ASN 40 6.693 -5.183 0.323
287 HD22 ASN 40 HD22 ASN 40 8.158 -6.020 0.010
288 H PHE 41 H PHE 41 4.809 -5.479 -1.130
289 HA PHE 41 HA PHE 41 3.384 -7.785 -2.217
290 HB2 PHE 41 HB2 PHE 41 2.750 -5.539 -3.014
291 HB3 PHE 41 HB3 PHE 41 4.398 -5.254 -3.526
292 HD1 PHE 41 HD1 PHE 41 5.091 -5.809 -5.690
293 HD2 PHE 41 HD2 PHE 41 1.461 -7.461 -4.173
294 HE1 PHE 41 HE1 PHE 41 4.572 -6.712 -7.909
295 HE2 PHE 41 HE2 PHE 41 0.950 -8.361 -6.397
296 HZ PHE 41 HZ PHE 41 2.502 -7.990 -8.267
297 H LYS 42 H LYS 42 6.442 -6.052 -2.571
298 HA LYS 42 HA LYS 42 7.873 -8.429 -3.250
299 HB2 LYS 42 HB2 LYS 42 6.822 -7.682 -5.424
300 HB3 LYS 42 HB3 LYS 42 7.582 -6.122 -5.228
301 HG2 LYS 42 HG2 LYS 42 9.797 -7.248 -5.380
302 HG3 LYS 42 HG3 LYS 42 8.944 -8.761 -5.702
303 HD2 LYS 42 HD2 LYS 42 7.904 -7.742 -7.675
304 HD3 LYS 42 HD3 LYS 42 8.776 -6.245 -7.355
305 HE2 LYS 42 HE2 LYS 42 9.924 -7.492 -9.075
306 HE3 LYS 42 HE3 LYS 42 10.906 -7.457 -7.617
307 HZ1 LYS 42 HZ1 LYS 42 10.156 -9.729 -7.119
308 HZ2 LYS 42 HZ2 LYS 42 10.883 -9.643 -8.628
309 HZ3 LYS 42 HZ3 LYS 42 9.215 -9.721 -8.521
310 H ASP 43 H ASP 43 10.267 -7.579 -3.549
311 HA ASP 43 HA ASP 43 11.095 -5.934 -1.478
312 HB2 ASP 43 HB2 ASP 43 12.466 -6.365 -4.160
313 HB3 ASP 43 HB3 ASP 43 13.223 -5.688 -2.734
314 H TYR 44 H TYR 44 10.696 -3.882 -1.158
315 HA TYR 44 HA TYR 44 10.437 -1.665 -1.398
316 HB2 TYR 44 HB2 TYR 44 11.557 -2.114 -4.161
317 HB3 TYR 44 HB3 TYR 44 11.083 -0.525 -3.576
318 HD1 TYR 44 HD1 TYR 44 12.265 0.479 -1.690
319 HD2 TYR 44 HD2 TYR 44 13.587 -3.132 -3.466
320 HE1 TYR 44 HE1 TYR 44 14.417 0.803 -0.639
321 HE2 TYR 44 HE2 TYR 44 15.772 -2.870 -2.436
322 HH TYR 44 HH TYR 44 16.360 -0.621 0.048
323 H TYR 45 H TYR 45 8.351 -3.696 -2.321
324 HA TYR 45 HA TYR 45 6.587 -1.618 -3.405
325 HB2 TYR 45 HB2 TYR 45 6.739 -4.477 -4.347
326 HB3 TYR 45 HB3 TYR 45 5.386 -3.412 -4.692
327 HD1 TYR 45 HD1 TYR 45 5.810 -1.322 -6.007
328 HD2 TYR 45 HD2 TYR 45 8.703 -4.408 -5.684
329 HE1 TYR 45 HE1 TYR 45 6.959 -0.444 -7.979
330 HE2 TYR 45 HE2 TYR 45 9.850 -3.542 -7.662
331 HH TYR 45 HH TYR 45 9.297 -2.191 -9.631
332 H CYS 46 H CYS 46 4.678 -1.470 -2.643
333 HA CYS 46 HA CYS 46 3.801 -3.461 -0.680
334 HB2 CYS 46 HB2 CYS 46 3.496 -0.460 -0.554
335 HB3 CYS 46 HB3 CYS 46 2.624 -1.581 0.483
336 H ASN 47 H ASN 47 1.858 -4.248 -1.011
337 HA ASN 47 HA ASN 47 0.383 -3.297 -3.327
338 HB2 ASN 47 HB2 ASN 47 0.770 -5.749 -3.023
339 HB3 ASN 47 HB3 ASN 47 -0.154 -5.671 -1.524
340 HD21 ASN 47 HD21 ASN 47 -1.662 -7.086 -2.292
341 HD22 ASN 47 HD22 ASN 47 -2.845 -6.685 -3.459
342 H CYS 48 H CYS 48 -1.159 -1.921 -3.069
343 HA CYS 48 HA CYS 48 -2.248 -1.495 -0.402
344 HB2 CYS 48 HB2 CYS 48 -2.382 0.316 -2.827
345 HB3 CYS 48 HB3 CYS 48 -2.786 0.689 -1.149
346 H HIS 49 H HIS 49 -4.310 -1.965 -0.043
347 HA HIS 49 HA HIS 49 -5.930 -2.877 -2.287
348 HB2 HIS 49 HB2 HIS 49 -6.307 -3.296 0.706
349 HB3 HIS 49 HB3 HIS 49 -7.314 -3.986 -0.557
350 HD1 HIS 49 HD3 HIS 49 -6.772 -6.390 -0.951
351 HD2 HIS 49 HD2 HIS 49 -3.439 -4.258 0.319
352 HE1 HIS 49 HE1 HIS 49 -4.926 -8.094 -0.679
353 H ILE 50 H ILE 50 -6.702 -1.095 -3.025
354 HA ILE 50 HA ILE 50 -7.388 1.128 -1.277
355 HB ILE 50 HB ILE 50 -7.651 1.100 -4.279
356 HG12 ILE 50 HG12 ILE 50 -5.115 1.763 -2.765
357 HG13 ILE 50 HG13 ILE 50 -5.375 0.218 -3.565
358 HG21 ILE 50 HG21 ILE 50 -6.941 3.177 -2.232
359 HG22 ILE 50 HG22 ILE 50 -8.529 3.001 -2.989
360 HG23 ILE 50 HG23 ILE 50 -7.125 3.490 -3.961
361 HD11 ILE 50 HD11 ILE 50 -4.044 1.714 -4.930
362 HD12 ILE 50 HD12 ILE 50 -5.337 2.913 -4.897
363 HD13 ILE 50 HD13 ILE 50 -5.590 1.364 -5.701
364 H ILE 51 H ILE 51 -9.445 1.518 -0.695
365 HA ILE 51 HA ILE 51 -11.568 -0.085 -1.796
366 HB ILE 51 HB ILE 51 -11.793 2.240 0.149
367 HG12 ILE 51 HG12 ILE 51 -11.585 -0.713 0.778
368 HG13 ILE 51 HG13 ILE 51 -10.289 0.458 1.020
369 HG21 ILE 51 HG21 ILE 51 -13.926 1.183 0.759
370 HG22 ILE 51 HG22 ILE 51 -13.642 -0.076 -0.441
371 HG23 ILE 51 HG23 ILE 51 -13.884 1.591 -0.961
372 HD11 ILE 51 HD11 ILE 51 -11.665 1.637 2.650
373 HD12 ILE 51 HD12 ILE 51 -11.460 -0.056 3.103
374 HD13 ILE 51 HD13 ILE 51 -12.974 0.490 2.383
375 H ILE 52 H ILE 52 -11.949 0.507 -3.834
376 HA ILE 52 HA ILE 52 -11.868 3.158 -4.844
377 HB ILE 52 HB ILE 52 -13.326 0.737 -5.961
378 HG12 ILE 52 HG12 ILE 52 -10.609 1.878 -6.660
379 HG13 ILE 52 HG13 ILE 52 -10.899 0.386 -5.774
380 HG21 ILE 52 HG21 ILE 52 -13.308 1.940 -8.112
381 HG22 ILE 52 HG22 ILE 52 -12.616 3.348 -7.305
382 HG23 ILE 52 HG23 ILE 52 -14.236 2.797 -6.878
383 HD11 ILE 52 HD11 ILE 52 -11.742 0.911 -8.616
384 HD12 ILE 52 HD12 ILE 52 -11.923 -0.609 -7.736
385 HD13 ILE 52 HD13 ILE 52 -10.315 0.008 -8.127
386 H HIS 53 H HIS 53 -14.509 0.979 -4.008
387 HA HIS 53 HA HIS 53 -16.172 3.233 -3.289
388 HB2 HIS 53 HB2 HIS 53 -16.616 2.683 -5.732
389 HB3 HIS 53 HB3 HIS 53 -17.115 1.083 -5.210
390 HD1 HIS 53 HD3 HIS 53 -18.474 4.315 -5.974
391 HD2 HIS 53 HD2 HIS 53 -19.393 1.287 -3.288
392 HE1 HIS 53 HE1 HIS 53 -20.862 4.701 -5.292
Start of MODEL 6
1 H1 GLU 1 1HT GLU 1 -13.423 -5.636 -3.560
2 H2 GLU 1 2HT GLU 1 -14.807 -5.803 -2.604
3 H3 GLU 1 3HT GLU 1 -13.354 -5.229 -1.934
4 HA GLU 1 HA GLU 1 -14.780 -3.803 -4.040
5 HB2 GLU 1 HB2 GLU 1 -15.518 -2.243 -2.234
6 HB3 GLU 1 HB3 GLU 1 -16.240 -3.831 -2.097
7 HG2 GLU 1 HG2 GLU 1 -14.643 -4.389 -0.322
8 HG3 GLU 1 HG3 GLU 1 -13.941 -2.780 -0.458
9 H GLU 2 H GLU 2 -11.907 -4.532 -3.671
10 HA GLU 2 HA GLU 2 -10.838 -1.870 -3.129
11 HB2 GLU 2 HB2 GLU 2 -9.323 -4.475 -2.865
12 HB3 GLU 2 HB3 GLU 2 -8.777 -2.877 -2.413
13 HG2 GLU 2 HG2 GLU 2 -9.248 -3.854 -0.368
14 HG3 GLU 2 HG3 GLU 2 -10.729 -2.966 -0.704
15 H THR 3 H THR 3 -9.037 -1.308 -4.371
16 HA THR 3 HA THR 3 -8.560 -2.831 -6.815
17 HB THR 3 HB THR 3 -8.232 0.153 -6.297
18 HG1 THR 3 HG1 THR 3 -10.167 -1.457 -7.439
19 HG21 THR 3 HG21 THR 3 -7.819 -1.423 -8.860
20 HG22 THR 3 HG22 THR 3 -6.539 -0.706 -7.883
21 HG23 THR 3 HG23 THR 3 -7.708 0.331 -8.702
22 H GLU 4 H GLU 4 -6.567 -3.661 -6.910
23 HA GLU 4 HA GLU 4 -4.781 -3.062 -4.691
24 HB2 GLU 4 HB2 GLU 4 -4.920 -5.386 -6.581
25 HB3 GLU 4 HB3 GLU 4 -3.653 -5.176 -5.381
26 HG2 GLU 4 HG2 GLU 4 -5.276 -5.254 -3.597
27 HG3 GLU 4 HG3 GLU 4 -6.589 -5.351 -4.771
28 H GLU 5 H GLU 5 -3.373 -1.601 -5.045
29 HA GLU 5 HA GLU 5 -2.041 -1.474 -7.664
30 HB2 GLU 5 HB2 GLU 5 -3.454 0.490 -7.101
31 HB3 GLU 5 HB3 GLU 5 -2.468 0.756 -5.673
32 HG2 GLU 5 HG2 GLU 5 -1.777 2.263 -7.388
33 HG3 GLU 5 HG3 GLU 5 -0.504 1.066 -7.137
34 HA PRO 6 HA PRO 6 1.553 -2.412 -4.999
35 HB2 PRO 6 HB2 PRO 6 2.918 -2.809 -7.547
36 HB3 PRO 6 HB3 PRO 6 2.650 -3.970 -6.245
37 HG2 PRO 6 HG2 PRO 6 1.394 -4.173 -8.625
38 HG3 PRO 6 HG3 PRO 6 0.632 -4.680 -7.107
39 HD2 PRO 6 HD2 PRO 6 0.249 -2.151 -8.672
40 HD3 PRO 6 HD3 PRO 6 -0.958 -3.191 -7.875
41 H ILE 7 H ILE 7 2.399 -0.642 -4.259
42 HA ILE 7 HA ILE 7 3.332 1.499 -6.058
43 HB ILE 7 HB ILE 7 3.220 2.990 -4.108
44 HG12 ILE 7 HG12 ILE 7 2.395 0.636 -2.436
45 HG13 ILE 7 HG13 ILE 7 4.091 1.098 -2.558
46 HG21 ILE 7 HG21 ILE 7 1.171 2.664 -5.205
47 HG22 ILE 7 HG22 ILE 7 0.960 2.769 -3.438
48 HG23 ILE 7 HG23 ILE 7 0.856 1.208 -4.248
49 HD11 ILE 7 HD11 ILE 7 3.072 2.014 -0.594
50 HD12 ILE 7 HD12 ILE 7 1.840 2.814 -1.600
51 HD13 ILE 7 HD13 ILE 7 3.545 3.277 -1.737
52 H ARG 8 H ARG 8 5.360 2.524 -5.426
53 HA ARG 8 HA ARG 8 7.371 0.571 -4.630
54 HB2 ARG 8 HB2 ARG 8 7.758 3.483 -5.440
55 HB3 ARG 8 HB3 ARG 8 8.990 2.245 -5.245
56 HG2 ARG 8 HG2 ARG 8 8.224 1.051 -7.131
57 HG3 ARG 8 HG3 ARG 8 6.855 2.151 -7.343
58 HD2 ARG 8 HD2 ARG 8 9.780 2.896 -7.510
59 HD3 ARG 8 HD3 ARG 8 8.710 2.653 -8.888
60 HE ARG 8 HE ARG 8 7.464 4.544 -7.369
61 HH11 ARG 8 HH11 ARG 8 10.720 4.364 -8.773
62 HH12 ARG 8 HH12 ARG 8 10.789 6.028 -9.114
63 HH21 ARG 8 HH21 ARG 8 7.620 6.842 -7.837
64 HH22 ARG 8 HH22 ARG 8 9.049 7.446 -8.543
65 H HIS 9 H HIS 9 8.305 0.598 -2.653
66 HA HIS 9 HA HIS 9 7.596 2.794 -0.817
67 HB2 HIS 9 HB2 HIS 9 6.416 0.605 -0.333
68 HB3 HIS 9 HB3 HIS 9 7.991 -0.140 -0.108
69 HD1 HIS 9 HD3 HIS 9 8.834 -0.118 2.251
70 HD2 HIS 9 HD2 HIS 9 5.861 2.679 1.619
71 HE1 HIS 9 HE1 HIS 9 8.403 1.009 4.495
72 H ALA 10 H ALA 10 9.270 3.186 0.863
73 HA ALA 10 HA ALA 10 11.896 3.068 -0.326
74 HB1 ALA 10 HB1 ALA 10 12.587 4.482 1.494
75 HB2 ALA 10 HB2 ALA 10 11.042 4.225 2.313
76 HB3 ALA 10 HB3 ALA 10 11.094 5.089 0.771
77 H LYS 11 H LYS 11 10.265 0.925 1.579
78 HA LYS 11 HA LYS 11 12.774 -0.098 2.665
79 HB2 LYS 11 HB2 LYS 11 10.034 -0.237 3.957
80 HB3 LYS 11 HB3 LYS 11 11.360 -1.268 4.443
81 HG2 LYS 11 HG2 LYS 11 11.170 0.544 6.011
82 HG3 LYS 11 HG3 LYS 11 12.651 0.762 5.087
83 HD2 LYS 11 HD2 LYS 11 11.535 2.443 3.701
84 HD3 LYS 11 HD3 LYS 11 10.037 2.206 4.593
85 HE2 LYS 11 HE2 LYS 11 12.639 3.203 5.735
86 HE3 LYS 11 HE3 LYS 11 11.233 4.194 5.350
87 HZ1 LYS 11 HZ1 LYS 11 11.282 3.688 7.685
88 HZ2 LYS 11 HZ2 LYS 11 11.371 2.049 7.390
89 HZ3 LYS 11 HZ3 LYS 11 9.961 2.891 6.993
90 H LYS 12 H LYS 12 13.235 -2.090 2.287
91 HA LYS 12 HA LYS 12 12.350 -3.425 0.060
92 HB2 LYS 12 HB2 LYS 12 14.526 -3.711 1.038
93 HB3 LYS 12 HB3 LYS 12 13.824 -4.401 2.490
94 HG2 LYS 12 HG2 LYS 12 13.034 -6.310 1.166
95 HG3 LYS 12 HG3 LYS 12 13.812 -5.611 -0.259
96 HD2 LYS 12 HD2 LYS 12 15.967 -5.704 0.861
97 HD3 LYS 12 HD3 LYS 12 15.203 -6.388 2.297
98 HE2 LYS 12 HE2 LYS 12 14.496 -8.321 1.013
99 HE3 LYS 12 HE3 LYS 12 15.213 -7.628 -0.439
100 HZ1 LYS 12 HZ1 LYS 12 16.636 -9.274 0.577
101 HZ2 LYS 12 HZ2 LYS 12 16.682 -8.391 2.012
102 HZ3 LYS 12 HZ3 LYS 12 17.374 -7.755 0.614
103 H ASN 13 H ASN 13 11.675 -4.139 3.425
104 HA ASN 13 HA ASN 13 9.354 -5.751 2.650
105 HB2 ASN 13 HB2 ASN 13 11.327 -7.289 2.967
106 HB3 ASN 13 HB3 ASN 13 11.440 -6.719 4.626
107 HD21 ASN 13 HD21 ASN 13 9.690 -8.651 2.385
108 HD22 ASN 13 HD22 ASN 13 8.684 -9.457 3.537
109 HA PRO 14 HA PRO 14 8.502 -3.032 6.207
110 HB2 PRO 14 HB2 PRO 14 6.390 -1.792 4.829
111 HB3 PRO 14 HB3 PRO 14 8.038 -1.192 4.931
112 HG2 PRO 14 HG2 PRO 14 6.763 -2.082 2.610
113 HG3 PRO 14 HG3 PRO 14 8.505 -1.847 2.813
114 HD2 PRO 14 HD2 PRO 14 6.890 -4.345 3.011
115 HD3 PRO 14 HD3 PRO 14 8.495 -4.066 2.285
116 H SER 15 H SER 15 6.537 -2.622 7.484
117 HA SER 15 HA SER 15 4.708 -4.860 7.517
118 HB2 SER 15 HB2 SER 15 4.049 -3.752 9.697
119 HB3 SER 15 HB3 SER 15 5.734 -4.263 9.623
120 HG SER 15 HG SER 15 5.047 -1.966 10.334
121 H GLU 16 H GLU 16 2.334 -3.991 8.214
122 HA GLU 16 HA GLU 16 1.529 -2.410 6.016
123 HB2 GLU 16 HB2 GLU 16 -0.025 -3.522 8.314
124 HB3 GLU 16 HB3 GLU 16 -0.752 -2.484 7.096
125 HG2 GLU 16 HG2 GLU 16 0.084 -4.130 5.385
126 HG3 GLU 16 HG3 GLU 16 0.450 -5.202 6.740
127 H GLY 17 H GLY 17 2.460 -1.635 9.183
128 HA2 GLY 17 HA2 GLY 17 1.197 0.864 9.436
129 HA3 GLY 17 HA3 GLY 17 2.782 0.470 10.109
130 H GLU 18 H GLU 18 4.382 0.061 8.167
131 HA GLU 18 HA GLU 18 5.053 2.514 7.032
132 HB2 GLU 18 HB2 GLU 18 5.840 -0.295 6.311
133 HB3 GLU 18 HB3 GLU 18 6.551 1.123 5.563
134 HG2 GLU 18 HG2 GLU 18 6.654 0.459 8.494
135 HG3 GLU 18 HG3 GLU 18 7.941 0.156 7.331
136 H CYS 19 H CYS 19 3.656 -0.384 5.501
137 HA CYS 19 HA CYS 19 3.482 0.899 3.026
138 HB2 CYS 19 HB2 CYS 19 2.227 -1.672 3.925
139 HB3 CYS 19 HB3 CYS 19 2.185 -1.071 2.269
140 H LYS 20 H LYS 20 0.898 0.405 5.501
141 HA LYS 20 HA LYS 20 -0.952 1.480 3.725
142 HB2 LYS 20 HB2 LYS 20 -1.068 1.291 6.733
143 HB3 LYS 20 HB3 LYS 20 -2.305 2.132 5.832
144 HG2 LYS 20 HG2 LYS 20 -2.646 -0.095 4.585
145 HG3 LYS 20 HG3 LYS 20 -1.693 -0.812 5.897
146 HD2 LYS 20 HD2 LYS 20 -3.214 0.153 7.544
147 HD3 LYS 20 HD3 LYS 20 -4.156 0.898 6.268
148 HE2 LYS 20 HE2 LYS 20 -5.372 -1.002 6.957
149 HE3 LYS 20 HE3 LYS 20 -4.640 -1.433 5.419
150 HZ1 LYS 20 HZ1 LYS 20 -3.058 -2.841 6.541
151 HZ2 LYS 20 HZ2 LYS 20 -4.544 -3.158 7.228
152 HZ3 LYS 20 HZ3 LYS 20 -3.470 -2.194 8.045
153 H LYS 21 H LYS 21 1.323 2.923 6.005
154 HA LYS 21 HA LYS 21 0.411 5.545 5.936
155 HB2 LYS 21 HB2 LYS 21 2.214 4.948 7.426
156 HB3 LYS 21 HB3 LYS 21 3.224 4.443 6.085
157 HG2 LYS 21 HG2 LYS 21 3.973 6.577 7.018
158 HG3 LYS 21 HG3 LYS 21 3.440 6.756 5.350
159 HD2 LYS 21 HD2 LYS 21 1.324 7.692 6.104
160 HD3 LYS 21 HD3 LYS 21 1.788 7.424 7.783
161 HE2 LYS 21 HE2 LYS 21 2.142 9.760 7.183
162 HE3 LYS 21 HE3 LYS 21 3.671 8.965 7.526
163 HZ1 LYS 21 HZ1 LYS 21 3.934 8.738 5.023
164 HZ2 LYS 21 HZ2 LYS 21 3.996 10.278 5.650
165 HZ3 LYS 21 HZ3 LYS 21 2.631 9.814 4.854
166 H ALA 22 H ALA 22 2.757 3.967 3.782
167 HA ALA 22 HA ALA 22 3.015 6.154 2.035
168 HB1 ALA 22 HB1 ALA 22 4.088 4.586 0.509
169 HB2 ALA 22 HB2 ALA 22 3.476 3.232 1.461
170 HB3 ALA 22 HB3 ALA 22 4.647 4.349 2.165
171 H CYS 23 H CYS 23 0.962 3.251 1.808
172 HA CYS 23 HA CYS 23 -0.251 3.742 -0.649
173 HB2 CYS 23 HB2 CYS 23 -1.444 2.466 1.816
174 HB3 CYS 23 HB3 CYS 23 -2.157 2.398 0.214
175 H ALA 24 H ALA 24 -1.121 4.902 2.559
176 HA ALA 24 HA ALA 24 -3.471 6.225 1.679
177 HB1 ALA 24 HB1 ALA 24 -3.179 5.451 3.964
178 HB2 ALA 24 HB2 ALA 24 -3.478 7.190 3.903
179 HB3 ALA 24 HB3 ALA 24 -1.845 6.583 4.178
180 H ASP 25 H ASP 25 -0.237 7.237 2.581
181 HA ASP 25 HA ASP 25 -0.528 9.991 2.490
182 HB2 ASP 25 HB2 ASP 25 1.387 8.610 3.378
183 HB3 ASP 25 HB3 ASP 25 1.945 8.467 1.720
184 H ALA 26 H ALA 26 0.415 7.754 -0.080
185 HA ALA 26 HA ALA 26 0.681 9.940 -1.958
186 HB1 ALA 26 HB1 ALA 26 1.565 8.287 -3.489
187 HB2 ALA 26 HB2 ALA 26 1.115 6.993 -2.380
188 HB3 ALA 26 HB3 ALA 26 2.354 8.159 -1.915
189 H PHE 27 H PHE 27 -1.972 8.222 -0.920
190 HA PHE 27 HA PHE 27 -3.217 8.518 -3.580
191 HB2 PHE 27 HB2 PHE 27 -3.469 6.161 -1.757
192 HB3 PHE 27 HB3 PHE 27 -4.746 6.553 -2.897
193 HD1 PHE 27 HD1 PHE 27 -1.699 4.723 -2.453
194 HD2 PHE 27 HD2 PHE 27 -3.979 6.904 -5.337
195 HE1 PHE 27 HE1 PHE 27 -0.594 3.543 -4.224
196 HE2 PHE 27 HE2 PHE 27 -2.822 5.726 -7.124
197 HZ PHE 27 HZ PHE 27 -1.115 4.032 -6.581
198 H ALA 28 H ALA 28 -3.862 8.385 -0.131
199 HA ALA 28 HA ALA 28 -6.405 9.807 -0.571
200 HB1 ALA 28 HB1 ALA 28 -5.629 7.882 1.623
201 HB2 ALA 28 HB2 ALA 28 -6.735 7.544 0.288
202 HB3 ALA 28 HB3 ALA 28 -7.158 8.750 1.508
203 H ASN 29 H ASN 29 -3.495 10.595 -0.025
204 HA ASN 29 HA ASN 29 -2.375 12.274 0.976
205 HB2 ASN 29 HB2 ASN 29 -5.168 13.214 1.636
206 HB3 ASN 29 HB3 ASN 29 -3.734 14.132 2.071
207 HD21 ASN 29 HD21 ASN 29 -4.318 15.839 0.781
208 HD22 ASN 29 HD22 ASN 29 -4.249 15.796 -0.940
209 H GLY 30 H GLY 30 -3.276 9.845 2.582
210 HA2 GLY 30 HA2 GLY 30 -1.840 9.542 4.611
211 HA3 GLY 30 HA3 GLY 30 -2.561 11.032 5.192
212 H ASP 31 H ASP 31 -5.167 9.814 3.868
213 HA ASP 31 HA ASP 31 -6.122 8.714 6.327
214 HB2 ASP 31 HB2 ASP 31 -7.643 9.985 4.851
215 HB3 ASP 31 HB3 ASP 31 -7.478 8.732 3.623
216 H GLN 32 H GLN 32 -5.752 6.750 7.012
217 HA GLN 32 HA GLN 32 -4.940 4.697 5.129
218 HB2 GLN 32 HB2 GLN 32 -4.952 4.709 8.146
219 HB3 GLN 32 HB3 GLN 32 -4.250 3.458 7.126
220 HG2 GLN 32 HG2 GLN 32 -2.661 5.066 6.227
221 HG3 GLN 32 HG3 GLN 32 -3.377 6.334 7.217
222 HE21 GLN 32 HE21 GLN 32 -1.394 3.563 7.169
223 HE22 GLN 32 HE22 GLN 32 -0.753 3.703 8.772
224 H SER 33 H SER 33 -7.828 5.721 6.116
225 HA SER 33 HA SER 33 -8.973 3.189 6.856
226 HB2 SER 33 HB2 SER 33 -10.248 5.876 6.334
227 HB3 SER 33 HB3 SER 33 -11.057 4.473 7.035
228 HG SER 33 HG SER 33 -9.809 4.623 8.823
229 H LYS 34 H LYS 34 -8.861 5.350 4.076
230 HA LYS 34 HA LYS 34 -10.587 3.818 2.415
231 HB2 LYS 34 HB2 LYS 34 -8.398 5.772 1.673
232 HB3 LYS 34 HB3 LYS 34 -9.587 5.125 0.550
233 HG2 LYS 34 HG2 LYS 34 -11.380 6.205 1.758
234 HG3 LYS 34 HG3 LYS 34 -10.255 6.748 2.999
235 HD2 LYS 34 HD2 LYS 34 -10.742 8.594 1.528
236 HD3 LYS 34 HD3 LYS 34 -9.074 8.092 1.271
237 HE2 LYS 34 HE2 LYS 34 -10.074 8.539 -0.856
238 HE3 LYS 34 HE3 LYS 34 -9.851 6.797 -0.717
239 HZ1 LYS 34 HZ1 LYS 34 -12.398 8.270 -0.302
240 HZ2 LYS 34 HZ2 LYS 34 -12.196 6.617 -0.126
241 HZ3 LYS 34 HZ3 LYS 34 -12.001 7.331 -1.639
242 H ILE 35 H ILE 35 -7.515 3.241 3.543
243 HA ILE 35 HA ILE 35 -6.868 1.364 1.385
244 HB ILE 35 HB ILE 35 -5.163 2.194 3.764
245 HG12 ILE 35 HG12 ILE 35 -5.487 4.114 2.281
246 HG13 ILE 35 HG13 ILE 35 -3.833 3.531 2.163
247 HG21 ILE 35 HG21 ILE 35 -4.580 -0.011 2.919
248 HG22 ILE 35 HG22 ILE 35 -3.304 1.147 2.539
249 HG23 ILE 35 HG23 ILE 35 -4.432 0.634 1.283
250 HD11 ILE 35 HD11 ILE 35 -4.403 2.408 0.052
251 HD12 ILE 35 HD12 ILE 35 -4.691 4.146 -0.015
252 HD13 ILE 35 HD13 ILE 35 -6.046 3.034 0.179
253 H ALA 36 H ALA 36 -7.891 -0.494 1.733
254 HA ALA 36 HA ALA 36 -8.932 -1.279 4.264
255 HB1 ALA 36 HB1 ALA 36 -8.662 -2.879 1.725
256 HB2 ALA 36 HB2 ALA 36 -10.037 -1.863 2.166
257 HB3 ALA 36 HB3 ALA 36 -9.663 -3.301 3.114
258 H LYS 37 H LYS 37 -6.195 -2.289 2.332
259 HA LYS 37 HA LYS 37 -4.906 -3.459 4.611
260 HB2 LYS 37 HB2 LYS 37 -6.415 -5.290 3.814
261 HB3 LYS 37 HB3 LYS 37 -5.691 -5.168 2.222
262 HG2 LYS 37 HG2 LYS 37 -3.518 -5.840 3.207
263 HG3 LYS 37 HG3 LYS 37 -4.324 -6.050 4.760
264 HD2 LYS 37 HD2 LYS 37 -5.773 -7.758 3.776
265 HD3 LYS 37 HD3 LYS 37 -4.990 -7.526 2.212
266 HE2 LYS 37 HE2 LYS 37 -3.645 -8.495 4.739
267 HE3 LYS 37 HE3 LYS 37 -4.117 -9.491 3.369
268 HZ1 LYS 37 HZ1 LYS 37 -1.758 -8.936 3.304
269 HZ2 LYS 37 HZ2 LYS 37 -2.095 -7.301 3.277
270 HZ3 LYS 37 HZ3 LYS 37 -2.571 -8.297 1.978
271 H ALA 38 H ALA 38 -2.693 -4.022 4.007
272 HA ALA 38 HA ALA 38 -1.840 -3.207 1.349
273 HB1 ALA 38 HB1 ALA 38 -1.289 -1.379 2.841
274 HB2 ALA 38 HB2 ALA 38 0.184 -2.241 2.389
275 HB3 ALA 38 HB3 ALA 38 -0.534 -2.491 3.986
276 H GLU 39 H GLU 39 0.072 -4.396 0.759
277 HA GLU 39 HA GLU 39 0.860 -6.543 2.570
278 HB2 GLU 39 HB2 GLU 39 -1.065 -7.425 1.270
279 HB3 GLU 39 HB3 GLU 39 -0.193 -7.095 -0.217
280 HG2 GLU 39 HG2 GLU 39 -0.098 -9.466 0.435
281 HG3 GLU 39 HG3 GLU 39 1.497 -8.716 0.364
282 H ASN 40 H ASN 40 2.906 -7.316 2.130
283 HA ASN 40 HA ASN 40 4.547 -5.628 0.503
284 HB2 ASN 40 HB2 ASN 40 5.603 -6.644 2.452
285 HB3 ASN 40 HB3 ASN 40 5.189 -8.256 1.876
286 HD21 ASN 40 HD21 ASN 40 7.225 -5.475 1.311
287 HD22 ASN 40 HD22 ASN 40 8.414 -6.279 0.361
288 H PHE 41 H PHE 41 4.615 -5.699 -1.525
289 HA PHE 41 HA PHE 41 3.445 -7.911 -2.967
290 HB2 PHE 41 HB2 PHE 41 2.812 -5.648 -3.603
291 HB3 PHE 41 HB3 PHE 41 4.495 -5.225 -3.868
292 HD1 PHE 41 HD1 PHE 41 1.645 -7.160 -5.168
293 HD2 PHE 41 HD2 PHE 41 5.617 -5.807 -5.888
294 HE1 PHE 41 HE1 PHE 41 1.458 -7.839 -7.517
295 HE2 PHE 41 HE2 PHE 41 5.446 -6.483 -8.213
296 HZ PHE 41 HZ PHE 41 3.360 -7.505 -9.052
297 H LYS 42 H LYS 42 6.514 -6.270 -2.588
298 HA LYS 42 HA LYS 42 8.061 -8.466 -3.343
299 HB2 LYS 42 HB2 LYS 42 7.188 -7.793 -5.596
300 HB3 LYS 42 HB3 LYS 42 7.790 -6.174 -5.340
301 HG2 LYS 42 HG2 LYS 42 9.151 -7.517 -6.873
302 HG3 LYS 42 HG3 LYS 42 10.057 -6.943 -5.477
303 HD2 LYS 42 HD2 LYS 42 9.906 -9.127 -4.439
304 HD3 LYS 42 HD3 LYS 42 8.850 -9.709 -5.724
305 HE2 LYS 42 HE2 LYS 42 11.692 -8.780 -6.063
306 HE3 LYS 42 HE3 LYS 42 11.180 -10.466 -6.005
307 HZ1 LYS 42 HZ1 LYS 42 11.466 -9.727 -8.271
308 HZ2 LYS 42 HZ2 LYS 42 10.395 -8.459 -8.054
309 HZ3 LYS 42 HZ3 LYS 42 9.833 -10.050 -7.990
310 H ASP 43 H ASP 43 10.414 -7.475 -3.548
311 HA ASP 43 HA ASP 43 11.022 -6.002 -1.277
312 HB2 ASP 43 HB2 ASP 43 12.647 -6.222 -3.820
313 HB3 ASP 43 HB3 ASP 43 13.269 -5.826 -2.225
314 H TYR 44 H TYR 44 10.546 -3.992 -0.901
315 HA TYR 44 HA TYR 44 10.349 -1.743 -1.045
316 HB2 TYR 44 HB2 TYR 44 11.724 -2.069 -3.721
317 HB3 TYR 44 HB3 TYR 44 11.225 -0.512 -3.080
318 HD1 TYR 44 HD1 TYR 44 12.342 0.431 -1.150
319 HD2 TYR 44 HD2 TYR 44 13.656 -3.214 -2.867
320 HE1 TYR 44 HE1 TYR 44 14.448 0.662 0.040
321 HE2 TYR 44 HE2 TYR 44 15.790 -3.020 -1.677
322 HH TYR 44 HH TYR 44 16.234 -0.940 0.856
323 H TYR 45 H TYR 45 8.363 -3.713 -2.127
324 HA TYR 45 HA TYR 45 6.681 -1.683 -3.403
325 HB2 TYR 45 HB2 TYR 45 7.037 -4.528 -4.328
326 HB3 TYR 45 HB3 TYR 45 5.671 -3.528 -4.785
327 HD1 TYR 45 HD1 TYR 45 9.089 -4.395 -5.507
328 HD2 TYR 45 HD2 TYR 45 6.106 -1.433 -6.060
329 HE1 TYR 45 HE1 TYR 45 10.339 -3.523 -7.414
330 HE2 TYR 45 HE2 TYR 45 7.349 -0.530 -7.979
331 HH TYR 45 HH TYR 45 9.861 -2.223 -9.461
332 H CYS 46 H CYS 46 4.725 -1.588 -2.712
333 HA CYS 46 HA CYS 46 3.695 -3.822 -1.207
334 HB2 CYS 46 HB2 CYS 46 4.003 -1.097 -0.093
335 HB3 CYS 46 HB3 CYS 46 2.470 -1.906 0.241
336 H ASN 47 H ASN 47 1.767 -4.382 -1.458
337 HA ASN 47 HA ASN 47 0.318 -3.198 -3.664
338 HB2 ASN 47 HB2 ASN 47 0.697 -5.644 -3.581
339 HB3 ASN 47 HB3 ASN 47 -0.159 -5.711 -2.048
340 HD21 ASN 47 HD21 ASN 47 -2.399 -5.697 -2.053
341 HD22 ASN 47 HD22 ASN 47 -3.297 -5.810 -3.501
342 H CYS 48 H CYS 48 -0.937 -1.625 -3.180
343 HA CYS 48 HA CYS 48 -2.102 -1.350 -0.557
344 HB2 CYS 48 HB2 CYS 48 -2.213 0.464 -2.985
345 HB3 CYS 48 HB3 CYS 48 -2.691 0.855 -1.331
346 H HIS 49 H HIS 49 -4.165 -1.822 -0.146
347 HA HIS 49 HA HIS 49 -5.843 -2.667 -2.393
348 HB2 HIS 49 HB2 HIS 49 -6.188 -3.228 0.583
349 HB3 HIS 49 HB3 HIS 49 -7.190 -3.865 -0.709
350 HD1 HIS 49 HD3 HIS 49 -6.665 -6.307 -1.088
351 HD2 HIS 49 HD2 HIS 49 -3.314 -4.122 0.041
352 HE1 HIS 49 HE1 HIS 49 -4.795 -7.959 -0.904
353 H ILE 50 H ILE 50 -6.586 -0.750 -3.008
354 HA ILE 50 HA ILE 50 -7.415 1.180 -1.005
355 HB ILE 50 HB ILE 50 -7.555 1.529 -4.010
356 HG12 ILE 50 HG12 ILE 50 -5.182 2.153 -2.219
357 HG13 ILE 50 HG13 ILE 50 -5.250 0.790 -3.328
358 HG21 ILE 50 HG21 ILE 50 -7.172 3.383 -1.684
359 HG22 ILE 50 HG22 ILE 50 -8.691 3.161 -2.560
360 HG23 ILE 50 HG23 ILE 50 -7.290 3.900 -3.369
361 HD11 ILE 50 HD11 ILE 50 -3.969 2.630 -4.261
362 HD12 ILE 50 HD12 ILE 50 -5.360 3.701 -4.092
363 HD13 ILE 50 HD13 ILE 50 -5.425 2.338 -5.212
364 H ILE 51 H ILE 51 -9.474 1.339 -0.409
365 HA ILE 51 HA ILE 51 -11.488 -0.351 -1.489
366 HB ILE 51 HB ILE 51 -11.773 2.061 0.341
367 HG12 ILE 51 HG12 ILE 51 -11.605 -0.878 1.027
368 HG13 ILE 51 HG13 ILE 51 -10.307 0.289 1.256
369 HG21 ILE 51 HG21 ILE 51 -13.884 1.480 -0.722
370 HG22 ILE 51 HG22 ILE 51 -13.913 1.058 0.990
371 HG23 ILE 51 HG23 ILE 51 -13.691 -0.203 -0.222
372 HD11 ILE 51 HD11 ILE 51 -12.989 0.322 2.630
373 HD12 ILE 51 HD12 ILE 51 -11.698 1.501 2.867
374 HD13 ILE 51 HD13 ILE 51 -11.456 -0.180 3.344
375 H ILE 52 H ILE 52 -12.761 0.016 -3.163
376 HA ILE 52 HA ILE 52 -12.373 2.237 -4.864
377 HB ILE 52 HB ILE 52 -14.564 0.136 -4.923
378 HG12 ILE 52 HG12 ILE 52 -11.929 0.288 -6.402
379 HG13 ILE 52 HG13 ILE 52 -12.264 -0.754 -5.028
380 HG21 ILE 52 HG21 ILE 52 -15.182 2.094 -6.263
381 HG22 ILE 52 HG22 ILE 52 -14.803 0.720 -7.301
382 HG23 ILE 52 HG23 ILE 52 -13.631 2.022 -7.101
383 HD11 ILE 52 HD11 ILE 52 -13.932 -1.937 -6.323
384 HD12 ILE 52 HD12 ILE 52 -12.363 -1.964 -7.133
385 HD13 ILE 52 HD13 ILE 52 -13.632 -0.876 -7.699
386 H HIS 53 H HIS 53 -14.700 1.566 -2.396
387 HA HIS 53 HA HIS 53 -16.581 3.591 -3.125
388 HB2 HIS 53 HB2 HIS 53 -16.181 2.275 -0.421
389 HB3 HIS 53 HB3 HIS 53 -17.594 3.187 -0.926
390 HD1 HIS 53 HD3 HIS 53 -19.170 1.960 -2.728
391 HD2 HIS 53 HD2 HIS 53 -16.148 -0.361 -1.077
392 HE1 HIS 53 HE1 HIS 53 -19.747 -0.429 -3.264
Start of MODEL 7
1 H1 GLU 1 1HT GLU 1 -15.727 -2.401 -2.125
2 H2 GLU 1 2HT GLU 1 -17.030 -2.396 -3.172
3 H3 GLU 1 3HT GLU 1 -16.069 -1.025 -3.047
4 HA GLU 1 HA GLU 1 -15.240 -3.656 -4.088
5 HB2 GLU 1 HB2 GLU 1 -16.739 -2.346 -5.579
6 HB3 GLU 1 HB3 GLU 1 -15.605 -1.006 -5.489
7 HG2 GLU 1 HG2 GLU 1 -15.419 -2.293 -7.575
8 HG3 GLU 1 HG3 GLU 1 -13.927 -2.281 -6.637
9 H GLU 2 H GLU 2 -13.244 -4.036 -3.564
10 HA GLU 2 HA GLU 2 -11.305 -1.889 -3.047
11 HB2 GLU 2 HB2 GLU 2 -11.187 -4.857 -2.571
12 HB3 GLU 2 HB3 GLU 2 -9.920 -3.719 -2.168
13 HG2 GLU 2 HG2 GLU 2 -11.305 -2.698 -0.504
14 HG3 GLU 2 HG3 GLU 2 -12.680 -3.697 -0.999
15 H THR 3 H THR 3 -9.228 -2.031 -4.064
16 HA THR 3 HA THR 3 -8.872 -4.042 -6.106
17 HB THR 3 HB THR 3 -8.613 -1.074 -6.747
18 HG1 THR 3 HG1 THR 3 -10.703 -2.768 -6.784
19 HG21 THR 3 HG21 THR 3 -8.361 -3.535 -8.505
20 HG22 THR 3 HG22 THR 3 -7.025 -2.500 -7.998
21 HG23 THR 3 HG23 THR 3 -8.278 -1.869 -9.068
22 H GLU 4 H GLU 4 -6.766 -4.634 -6.329
23 HA GLU 4 HA GLU 4 -4.873 -3.698 -4.371
24 HB2 GLU 4 HB2 GLU 4 -4.623 -5.729 -6.587
25 HB3 GLU 4 HB3 GLU 4 -3.420 -5.428 -5.349
26 HG2 GLU 4 HG2 GLU 4 -4.974 -6.192 -3.643
27 HG3 GLU 4 HG3 GLU 4 -6.197 -6.477 -4.888
28 H GLU 5 H GLU 5 -3.246 -2.374 -4.754
29 HA GLU 5 HA GLU 5 -2.432 -1.791 -7.491
30 HB2 GLU 5 HB2 GLU 5 -4.132 -0.108 -6.820
31 HB3 GLU 5 HB3 GLU 5 -3.138 0.322 -5.443
32 HG2 GLU 5 HG2 GLU 5 -2.969 1.915 -7.306
33 HG3 GLU 5 HG3 GLU 5 -1.424 1.179 -6.879
34 HA PRO 6 HA PRO 6 1.368 -2.414 -5.051
35 HB2 PRO 6 HB2 PRO 6 2.631 -2.601 -7.683
36 HB3 PRO 6 HB3 PRO 6 2.537 -3.816 -6.407
37 HG2 PRO 6 HG2 PRO 6 1.175 -4.050 -8.722
38 HG3 PRO 6 HG3 PRO 6 0.551 -4.670 -7.184
39 HD2 PRO 6 HD2 PRO 6 -0.183 -2.162 -8.649
40 HD3 PRO 6 HD3 PRO 6 -1.211 -3.326 -7.785
41 H ILE 7 H ILE 7 2.220 -0.660 -4.266
42 HA ILE 7 HA ILE 7 3.044 1.579 -6.011
43 HB ILE 7 HB ILE 7 2.840 3.043 -4.045
44 HG12 ILE 7 HG12 ILE 7 2.097 0.638 -2.400
45 HG13 ILE 7 HG13 ILE 7 3.773 1.166 -2.511
46 HG21 ILE 7 HG21 ILE 7 0.622 2.783 -3.419
47 HG22 ILE 7 HG22 ILE 7 0.538 1.204 -4.222
48 HG23 ILE 7 HG23 ILE 7 0.834 2.672 -5.170
49 HD11 ILE 7 HD11 ILE 7 2.701 2.030 -0.544
50 HD12 ILE 7 HD12 ILE 7 1.467 2.808 -1.562
51 HD13 ILE 7 HD13 ILE 7 3.160 3.314 -1.668
52 H ARG 8 H ARG 8 4.991 2.716 -5.116
53 HA ARG 8 HA ARG 8 7.148 0.842 -4.550
54 HB2 ARG 8 HB2 ARG 8 7.158 3.839 -4.923
55 HB3 ARG 8 HB3 ARG 8 8.554 2.779 -4.852
56 HG2 ARG 8 HG2 ARG 8 8.106 1.857 -6.947
57 HG3 ARG 8 HG3 ARG 8 6.463 2.520 -6.978
58 HD2 ARG 8 HD2 ARG 8 8.987 4.173 -6.944
59 HD3 ARG 8 HD3 ARG 8 8.059 3.782 -8.394
60 HE ARG 8 HE ARG 8 6.183 4.952 -7.394
61 HH11 ARG 8 HH11 ARG 8 9.359 5.715 -5.943
62 HH12 ARG 8 HH12 ARG 8 8.914 7.297 -5.505
63 HH21 ARG 8 HH21 ARG 8 5.608 7.114 -6.745
64 HH22 ARG 8 HH22 ARG 8 6.765 8.109 -5.980
65 H HIS 9 H HIS 9 8.329 0.920 -2.611
66 HA HIS 9 HA HIS 9 7.563 2.911 -0.620
67 HB2 HIS 9 HB2 HIS 9 6.354 0.746 -0.150
68 HB3 HIS 9 HB3 HIS 9 7.924 -0.034 0.002
69 HD1 HIS 9 HD3 HIS 9 9.448 0.902 2.073
70 HD2 HIS 9 HD2 HIS 9 5.428 1.917 2.094
71 HE1 HIS 9 HE1 HIS 9 8.931 1.678 4.421
72 H ALA 10 H ALA 10 9.336 3.681 0.470
73 HA ALA 10 HA ALA 10 11.877 2.767 -0.522
74 HB1 ALA 10 HB1 ALA 10 12.867 4.671 0.530
75 HB2 ALA 10 HB2 ALA 10 11.349 5.061 1.352
76 HB3 ALA 10 HB3 ALA 10 11.461 5.155 -0.412
77 H LYS 11 H LYS 11 11.568 0.680 0.529
78 HA LYS 11 HA LYS 11 13.472 0.305 2.480
79 HB2 LYS 11 HB2 LYS 11 11.694 1.110 4.054
80 HB3 LYS 11 HB3 LYS 11 10.611 -0.129 3.440
81 HG2 LYS 11 HG2 LYS 11 12.014 -1.873 4.329
82 HG3 LYS 11 HG3 LYS 11 13.227 -0.693 4.824
83 HD2 LYS 11 HD2 LYS 11 10.400 -0.801 5.884
84 HD3 LYS 11 HD3 LYS 11 11.796 -1.513 6.696
85 HE2 LYS 11 HE2 LYS 11 11.390 1.422 6.067
86 HE3 LYS 11 HE3 LYS 11 11.231 0.664 7.646
87 HZ1 LYS 11 HZ1 LYS 11 13.607 0.086 7.529
88 HZ2 LYS 11 HZ2 LYS 11 13.357 1.740 7.450
89 HZ3 LYS 11 HZ3 LYS 11 13.741 0.891 6.057
90 H LYS 12 H LYS 12 14.097 -1.800 2.269
91 HA LYS 12 HA LYS 12 13.326 -3.202 0.017
92 HB2 LYS 12 HB2 LYS 12 15.473 -3.514 1.207
93 HB3 LYS 12 HB3 LYS 12 14.621 -4.344 2.498
94 HG2 LYS 12 HG2 LYS 12 13.920 -6.075 0.882
95 HG3 LYS 12 HG3 LYS 12 14.871 -5.261 -0.360
96 HD2 LYS 12 HD2 LYS 12 16.887 -5.571 1.004
97 HD3 LYS 12 HD3 LYS 12 15.930 -6.417 2.218
98 HE2 LYS 12 HE2 LYS 12 16.393 -7.280 -0.638
99 HE3 LYS 12 HE3 LYS 12 17.097 -8.008 0.803
100 HZ1 LYS 12 HZ1 LYS 12 15.259 -9.340 0.101
101 HZ2 LYS 12 HZ2 LYS 12 14.265 -8.022 -0.052
102 HZ3 LYS 12 HZ3 LYS 12 14.738 -8.527 1.495
103 H ASN 13 H ASN 13 12.510 -3.992 3.382
104 HA ASN 13 HA ASN 13 10.111 -5.258 2.339
105 HB2 ASN 13 HB2 ASN 13 11.743 -7.059 2.807
106 HB3 ASN 13 HB3 ASN 13 11.868 -6.501 4.469
107 HD21 ASN 13 HD21 ASN 13 9.814 -8.050 2.131
108 HD22 ASN 13 HD22 ASN 13 8.698 -8.718 3.278
109 HA PRO 14 HA PRO 14 8.899 -2.354 5.660
110 HB2 PRO 14 HB2 PRO 14 6.660 -1.524 4.385
111 HB3 PRO 14 HB3 PRO 14 8.246 -0.795 4.111
112 HG2 PRO 14 HG2 PRO 14 6.784 -2.824 2.480
113 HG3 PRO 14 HG3 PRO 14 7.714 -1.415 1.946
114 HD2 PRO 14 HD2 PRO 14 8.695 -3.918 1.883
115 HD3 PRO 14 HD3 PRO 14 9.718 -2.499 2.161
116 H SER 15 H SER 15 7.030 -2.408 6.981
117 HA SER 15 HA SER 15 5.822 -5.027 7.142
118 HB2 SER 15 HB2 SER 15 5.580 -2.656 8.995
119 HB3 SER 15 HB3 SER 15 5.314 -4.360 9.377
120 HG SER 15 HG SER 15 7.542 -4.678 8.777
121 H GLU 16 H GLU 16 3.413 -4.970 7.832
122 HA GLU 16 HA GLU 16 1.815 -4.020 5.778
123 HB2 GLU 16 HB2 GLU 16 1.207 -5.896 7.244
124 HB3 GLU 16 HB3 GLU 16 1.010 -4.791 8.594
125 HG2 GLU 16 HG2 GLU 16 -0.875 -3.738 7.448
126 HG3 GLU 16 HG3 GLU 16 -0.658 -4.828 6.083
127 H GLY 17 H GLY 17 2.278 -2.662 9.028
128 HA2 GLY 17 HA2 GLY 17 0.511 -0.491 8.768
129 HA3 GLY 17 HA3 GLY 17 1.868 -0.566 9.883
130 H GLU 18 H GLU 18 3.930 -0.789 8.019
131 HA GLU 18 HA GLU 18 4.450 1.891 7.317
132 HB2 GLU 18 HB2 GLU 18 5.745 -0.632 6.266
133 HB3 GLU 18 HB3 GLU 18 6.363 0.985 5.988
134 HG2 GLU 18 HG2 GLU 18 6.144 -0.465 8.605
135 HG3 GLU 18 HG3 GLU 18 7.614 -0.019 7.739
136 H CYS 19 H CYS 19 3.675 -0.907 5.307
137 HA CYS 19 HA CYS 19 3.478 0.434 2.892
138 HB2 CYS 19 HB2 CYS 19 2.173 -2.083 3.888
139 HB3 CYS 19 HB3 CYS 19 1.976 -1.512 2.240
140 H LYS 20 H LYS 20 0.998 -0.215 5.346
141 HA LYS 20 HA LYS 20 -1.151 0.765 3.836
142 HB2 LYS 20 HB2 LYS 20 -1.133 -0.629 6.029
143 HB3 LYS 20 HB3 LYS 20 -1.056 0.932 6.836
144 HG2 LYS 20 HG2 LYS 20 -3.129 1.604 5.756
145 HG3 LYS 20 HG3 LYS 20 -3.201 0.056 4.921
146 HD2 LYS 20 HD2 LYS 20 -3.253 -1.060 7.158
147 HD3 LYS 20 HD3 LYS 20 -3.388 0.544 7.888
148 HE2 LYS 20 HE2 LYS 20 -5.385 0.906 6.382
149 HE3 LYS 20 HE3 LYS 20 -5.289 -0.792 5.991
150 HZ1 LYS 20 HZ1 LYS 20 -6.895 -0.345 7.758
151 HZ2 LYS 20 HZ2 LYS 20 -5.660 0.247 8.743
152 HZ3 LYS 20 HZ3 LYS 20 -5.667 -1.368 8.300
153 H LYS 21 H LYS 21 1.091 2.348 6.015
154 HA LYS 21 HA LYS 21 -0.119 4.902 6.009
155 HB2 LYS 21 HB2 LYS 21 1.575 4.253 7.644
156 HB3 LYS 21 HB3 LYS 21 2.776 4.132 6.370
157 HG2 LYS 21 HG2 LYS 21 2.645 6.530 5.990
158 HG3 LYS 21 HG3 LYS 21 1.368 6.673 7.199
159 HD2 LYS 21 HD2 LYS 21 3.493 7.351 8.158
160 HD3 LYS 21 HD3 LYS 21 2.935 5.866 8.925
161 HE2 LYS 21 HE2 LYS 21 5.311 5.711 8.492
162 HE3 LYS 21 HE3 LYS 21 4.461 4.571 7.462
163 HZ1 LYS 21 HZ1 LYS 21 5.561 7.212 6.634
164 HZ2 LYS 21 HZ2 LYS 21 4.684 6.212 5.616
165 HZ3 LYS 21 HZ3 LYS 21 6.157 5.705 6.222
166 H ALA 22 H ALA 22 2.395 3.447 3.984
167 HA ALA 22 HA ALA 22 2.898 5.716 2.399
168 HB1 ALA 22 HB1 ALA 22 3.976 4.150 0.854
169 HB2 ALA 22 HB2 ALA 22 3.239 2.800 1.715
170 HB3 ALA 22 HB3 ALA 22 4.427 3.819 2.526
171 H CYS 23 H CYS 23 0.738 2.953 1.929
172 HA CYS 23 HA CYS 23 -0.322 3.677 -0.554
173 HB2 CYS 23 HB2 CYS 23 -1.649 2.203 1.720
174 HB3 CYS 23 HB3 CYS 23 -2.247 2.260 0.066
175 H ALA 24 H ALA 24 -1.265 4.578 2.709
176 HA ALA 24 HA ALA 24 -3.548 6.066 2.026
177 HB1 ALA 24 HB1 ALA 24 -2.996 5.319 4.299
178 HB2 ALA 24 HB2 ALA 24 -3.282 7.059 4.227
179 HB3 ALA 24 HB3 ALA 24 -1.633 6.436 4.324
180 H ASP 25 H ASP 25 -0.255 7.011 2.751
181 HA ASP 25 HA ASP 25 -0.298 9.734 2.386
182 HB2 ASP 25 HB2 ASP 25 1.560 8.467 3.331
183 HB3 ASP 25 HB3 ASP 25 1.903 7.771 1.756
184 H ALA 26 H ALA 26 0.387 7.267 -0.049
185 HA ALA 26 HA ALA 26 0.822 9.186 -2.132
186 HB1 ALA 26 HB1 ALA 26 0.538 6.201 -2.325
187 HB2 ALA 26 HB2 ALA 26 2.042 7.069 -2.027
188 HB3 ALA 26 HB3 ALA 26 1.192 7.277 -3.559
189 H PHE 27 H PHE 27 -2.054 7.819 -0.875
190 HA PHE 27 HA PHE 27 -3.311 8.351 -3.471
191 HB2 PHE 27 HB2 PHE 27 -3.863 6.059 -1.629
192 HB3 PHE 27 HB3 PHE 27 -5.065 6.603 -2.793
193 HD1 PHE 27 HD1 PHE 27 -2.086 4.594 -2.325
194 HD2 PHE 27 HD2 PHE 27 -4.409 6.717 -5.213
195 HE1 PHE 27 HE1 PHE 27 -1.058 3.307 -4.112
196 HE2 PHE 27 HE2 PHE 27 -3.357 5.448 -6.991
197 HZ PHE 27 HZ PHE 27 -1.671 3.725 -6.458
198 H ALA 28 H ALA 28 -4.014 8.163 -0.032
199 HA ALA 28 HA ALA 28 -6.242 9.998 -0.485
200 HB1 ALA 28 HB1 ALA 28 -7.134 9.206 1.613
201 HB2 ALA 28 HB2 ALA 28 -5.677 8.258 1.907
202 HB3 ALA 28 HB3 ALA 28 -6.754 7.830 0.577
203 H ASN 29 H ASN 29 -3.194 10.295 -0.009
204 HA ASN 29 HA ASN 29 -1.770 11.824 0.800
205 HB2 ASN 29 HB2 ASN 29 -4.302 13.443 1.058
206 HB3 ASN 29 HB3 ASN 29 -2.705 14.112 1.368
207 HD21 ASN 29 HD21 ASN 29 -4.940 13.013 -1.047
208 HD22 ASN 29 HD22 ASN 29 -4.021 13.550 -2.400
209 H GLY 30 H GLY 30 -2.697 9.882 2.626
210 HA2 GLY 30 HA2 GLY 30 -1.437 9.910 4.779
211 HA3 GLY 30 HA3 GLY 30 -2.308 11.397 5.126
212 H ASP 31 H ASP 31 -4.769 10.412 3.971
213 HA ASP 31 HA ASP 31 -5.826 9.271 6.316
214 HB2 ASP 31 HB2 ASP 31 -7.239 10.684 4.983
215 HB3 ASP 31 HB3 ASP 31 -7.079 9.608 3.600
216 H GLN 32 H GLN 32 -5.525 7.309 6.967
217 HA GLN 32 HA GLN 32 -4.843 5.158 5.154
218 HB2 GLN 32 HB2 GLN 32 -5.298 5.073 8.136
219 HB3 GLN 32 HB3 GLN 32 -4.621 3.777 7.166
220 HG2 GLN 32 HG2 GLN 32 -2.703 5.241 6.632
221 HG3 GLN 32 HG3 GLN 32 -3.384 6.471 7.697
222 HE21 GLN 32 HE21 GLN 32 -0.862 5.056 7.893
223 HE22 GLN 32 HE22 GLN 32 -0.861 4.269 9.430
224 H SER 33 H SER 33 -7.699 6.433 6.292
225 HA SER 33 HA SER 33 -9.225 4.220 6.992
226 HB2 SER 33 HB2 SER 33 -10.249 6.745 5.733
227 HB3 SER 33 HB3 SER 33 -11.051 5.708 6.916
228 HG SER 33 HG SER 33 -9.299 7.710 7.233
229 H LYS 34 H LYS 34 -8.488 5.587 3.850
230 HA LYS 34 HA LYS 34 -10.546 4.062 2.489
231 HB2 LYS 34 HB2 LYS 34 -8.330 5.766 1.356
232 HB3 LYS 34 HB3 LYS 34 -9.686 5.107 0.448
233 HG2 LYS 34 HG2 LYS 34 -11.236 6.406 1.783
234 HG3 LYS 34 HG3 LYS 34 -9.893 7.034 2.737
235 HD2 LYS 34 HD2 LYS 34 -8.969 8.054 0.682
236 HD3 LYS 34 HD3 LYS 34 -10.392 7.493 -0.202
237 HE2 LYS 34 HE2 LYS 34 -10.715 9.793 0.447
238 HE3 LYS 34 HE3 LYS 34 -11.816 8.753 1.351
239 HZ1 LYS 34 HZ1 LYS 34 -10.076 8.846 3.205
240 HZ2 LYS 34 HZ2 LYS 34 -10.958 10.218 2.914
241 HZ3 LYS 34 HZ3 LYS 34 -9.388 10.130 2.358
242 H ILE 35 H ILE 35 -7.639 3.272 3.710
243 HA ILE 35 HA ILE 35 -7.051 1.335 1.597
244 HB ILE 35 HB ILE 35 -5.314 2.137 3.961
245 HG12 ILE 35 HG12 ILE 35 -5.546 4.063 2.461
246 HG13 ILE 35 HG13 ILE 35 -3.920 3.405 2.363
247 HG21 ILE 35 HG21 ILE 35 -4.660 0.541 1.487
248 HG22 ILE 35 HG22 ILE 35 -4.846 -0.096 3.117
249 HG23 ILE 35 HG23 ILE 35 -3.512 0.997 2.744
250 HD11 ILE 35 HD11 ILE 35 -4.738 4.043 0.170
251 HD12 ILE 35 HD12 ILE 35 -6.137 2.991 0.369
252 HD13 ILE 35 HD13 ILE 35 -4.524 2.290 0.257
253 H ALA 36 H ALA 36 -7.890 -0.599 2.013
254 HA ALA 36 HA ALA 36 -8.966 -1.179 4.612
255 HB1 ALA 36 HB1 ALA 36 -9.720 -3.282 3.595
256 HB2 ALA 36 HB2 ALA 36 -8.772 -2.915 2.149
257 HB3 ALA 36 HB3 ALA 36 -10.137 -1.894 2.591
258 H LYS 37 H LYS 37 -6.232 -2.213 2.694
259 HA LYS 37 HA LYS 37 -4.708 -2.906 4.971
260 HB2 LYS 37 HB2 LYS 37 -5.961 -5.025 4.861
261 HB3 LYS 37 HB3 LYS 37 -5.624 -5.167 3.141
262 HG2 LYS 37 HG2 LYS 37 -3.248 -5.472 3.608
263 HG3 LYS 37 HG3 LYS 37 -3.536 -5.259 5.326
264 HD2 LYS 37 HD2 LYS 37 -4.731 -7.479 3.666
265 HD3 LYS 37 HD3 LYS 37 -3.238 -7.632 4.585
266 HE2 LYS 37 HE2 LYS 37 -5.987 -7.048 5.692
267 HE3 LYS 37 HE3 LYS 37 -5.089 -8.556 5.849
268 HZ1 LYS 37 HZ1 LYS 37 -4.836 -7.350 7.858
269 HZ2 LYS 37 HZ2 LYS 37 -4.504 -5.934 7.051
270 HZ3 LYS 37 HZ3 LYS 37 -3.346 -7.138 7.064
271 H ALA 38 H ALA 38 -2.509 -3.204 4.353
272 HA ALA 38 HA ALA 38 -1.937 -3.219 1.518
273 HB1 ALA 38 HB1 ALA 38 -1.848 -0.880 2.199
274 HB2 ALA 38 HB2 ALA 38 -0.253 -1.501 1.772
275 HB3 ALA 38 HB3 ALA 38 -0.696 -1.298 3.471
276 H GLU 39 H GLU 39 -0.449 -4.645 1.113
277 HA GLU 39 HA GLU 39 1.083 -5.774 3.372
278 HB2 GLU 39 HB2 GLU 39 -0.745 -7.264 2.703
279 HB3 GLU 39 HB3 GLU 39 -0.245 -7.161 1.030
280 HG2 GLU 39 HG2 GLU 39 0.338 -9.304 2.066
281 HG3 GLU 39 HG3 GLU 39 1.756 -8.421 1.509
282 H ASN 40 H ASN 40 3.117 -6.839 2.629
283 HA ASN 40 HA ASN 40 4.543 -5.164 0.812
284 HB2 ASN 40 HB2 ASN 40 5.717 -6.224 2.690
285 HB3 ASN 40 HB3 ASN 40 5.346 -7.819 2.043
286 HD21 ASN 40 HD21 ASN 40 7.250 -4.971 1.649
287 HD22 ASN 40 HD22 ASN 40 8.388 -5.640 0.520
288 H PHE 41 H PHE 41 4.678 -5.326 -1.274
289 HA PHE 41 HA PHE 41 3.374 -7.537 -2.649
290 HB2 PHE 41 HB2 PHE 41 2.803 -5.253 -3.330
291 HB3 PHE 41 HB3 PHE 41 4.493 -4.893 -3.590
292 HD1 PHE 41 HD1 PHE 41 5.503 -5.258 -5.642
293 HD2 PHE 41 HD2 PHE 41 1.689 -6.982 -4.867
294 HE1 PHE 41 HE1 PHE 41 5.340 -5.883 -7.974
295 HE2 PHE 41 HE2 PHE 41 1.500 -7.620 -7.234
296 HZ PHE 41 HZ PHE 41 3.321 -7.072 -8.804
297 H LYS 42 H LYS 42 6.496 -5.912 -2.412
298 HA LYS 42 HA LYS 42 8.004 -8.160 -3.095
299 HB2 LYS 42 HB2 LYS 42 7.062 -7.586 -5.363
300 HB3 LYS 42 HB3 LYS 42 7.708 -5.972 -5.208
301 HG2 LYS 42 HG2 LYS 42 9.018 -7.384 -6.716
302 HG3 LYS 42 HG3 LYS 42 9.960 -6.823 -5.337
303 HD2 LYS 42 HD2 LYS 42 9.705 -8.989 -4.257
304 HD3 LYS 42 HD3 LYS 42 8.657 -9.546 -5.558
305 HE2 LYS 42 HE2 LYS 42 10.908 -10.443 -5.829
306 HE3 LYS 42 HE3 LYS 42 10.530 -9.333 -7.138
307 HZ1 LYS 42 HZ1 LYS 42 11.862 -7.636 -6.043
308 HZ2 LYS 42 HZ2 LYS 42 12.778 -9.021 -6.268
309 HZ3 LYS 42 HZ3 LYS 42 12.186 -8.661 -4.744
310 H ASP 43 H ASP 43 10.353 -7.193 -3.437
311 HA ASP 43 HA ASP 43 11.039 -5.624 -1.247
312 HB2 ASP 43 HB2 ASP 43 12.601 -6.023 -3.810
313 HB3 ASP 43 HB3 ASP 43 13.260 -5.480 -2.270
314 H TYR 44 H TYR 44 10.764 -3.585 -0.916
315 HA TYR 44 HA TYR 44 10.507 -1.353 -1.146
316 HB2 TYR 44 HB2 TYR 44 11.714 -1.774 -3.894
317 HB3 TYR 44 HB3 TYR 44 11.351 -0.201 -3.205
318 HD1 TYR 44 HD1 TYR 44 13.596 -3.092 -3.089
319 HD2 TYR 44 HD2 TYR 44 12.725 0.724 -1.451
320 HE1 TYR 44 HE1 TYR 44 15.824 -3.029 -2.085
321 HE2 TYR 44 HE2 TYR 44 14.930 0.822 -0.433
322 HH TYR 44 HH TYR 44 16.682 -0.823 0.297
323 H TYR 45 H TYR 45 8.401 -3.333 -2.067
324 HA TYR 45 HA TYR 45 6.671 -1.331 -3.328
325 HB2 TYR 45 HB2 TYR 45 6.973 -4.177 -4.298
326 HB3 TYR 45 HB3 TYR 45 5.671 -3.097 -4.777
327 HD1 TYR 45 HD1 TYR 45 6.309 -0.949 -5.943
328 HD2 TYR 45 HD2 TYR 45 9.003 -4.182 -5.452
329 HE1 TYR 45 HE1 TYR 45 7.705 -0.059 -7.759
330 HE2 TYR 45 HE2 TYR 45 10.400 -3.317 -7.249
331 HH TYR 45 HH TYR 45 10.163 -1.865 -9.201
332 H CYS 46 H CYS 46 4.627 -1.390 -2.760
333 HA CYS 46 HA CYS 46 3.808 -3.459 -0.845
334 HB2 CYS 46 HB2 CYS 46 3.273 -0.495 -0.630
335 HB3 CYS 46 HB3 CYS 46 2.522 -1.726 0.377
336 H ASN 47 H ASN 47 1.766 -4.177 -1.013
337 HA ASN 47 HA ASN 47 0.336 -3.423 -3.448
338 HB2 ASN 47 HB2 ASN 47 0.928 -5.811 -3.125
339 HB3 ASN 47 HB3 ASN 47 0.043 -5.800 -1.605
340 HD21 ASN 47 HD21 ASN 47 -1.245 -7.414 -2.321
341 HD22 ASN 47 HD22 ASN 47 -2.508 -7.187 -3.480
342 H CYS 48 H CYS 48 -1.117 -1.919 -3.084
343 HA CYS 48 HA CYS 48 -2.244 -1.586 -0.439
344 HB2 CYS 48 HB2 CYS 48 -2.598 0.160 -2.891
345 HB3 CYS 48 HB3 CYS 48 -2.919 0.521 -1.188
346 H HIS 49 H HIS 49 -4.281 -2.136 0.050
347 HA HIS 49 HA HIS 49 -6.046 -3.006 -2.112
348 HB2 HIS 49 HB2 HIS 49 -6.276 -3.436 0.894
349 HB3 HIS 49 HB3 HIS 49 -7.373 -4.077 -0.314
350 HD1 HIS 49 HD3 HIS 49 -6.951 -6.513 -0.729
351 HD2 HIS 49 HD2 HIS 49 -3.480 -4.456 0.281
352 HE1 HIS 49 HE1 HIS 49 -5.149 -8.252 -0.567
353 H ILE 50 H ILE 50 -6.774 -1.122 -2.777
354 HA ILE 50 HA ILE 50 -7.478 0.910 -0.810
355 HB ILE 50 HB ILE 50 -7.510 1.220 -3.818
356 HG12 ILE 50 HG12 ILE 50 -5.175 1.760 -1.965
357 HG13 ILE 50 HG13 ILE 50 -5.278 0.375 -3.048
358 HG21 ILE 50 HG21 ILE 50 -7.156 3.582 -3.234
359 HG22 ILE 50 HG22 ILE 50 -7.100 3.126 -1.528
360 HG23 ILE 50 HG23 ILE 50 -8.605 2.945 -2.432
361 HD11 ILE 50 HD11 ILE 50 -5.232 3.267 -3.877
362 HD12 ILE 50 HD12 ILE 50 -5.322 1.880 -4.964
363 HD13 ILE 50 HD13 ILE 50 -3.886 2.134 -3.974
364 H ILE 51 H ILE 51 -9.549 1.501 -0.461
365 HA ILE 51 HA ILE 51 -11.629 0.009 -1.775
366 HB ILE 51 HB ILE 51 -11.909 2.319 0.194
367 HG12 ILE 51 HG12 ILE 51 -11.931 -0.664 0.764
368 HG13 ILE 51 HG13 ILE 51 -10.596 0.416 1.142
369 HG21 ILE 51 HG21 ILE 51 -13.922 1.836 -1.122
370 HG22 ILE 51 HG22 ILE 51 -14.152 1.360 0.564
371 HG23 ILE 51 HG23 ILE 51 -13.826 0.136 -0.660
372 HD11 ILE 51 HD11 ILE 51 -12.039 1.643 2.692
373 HD12 ILE 51 HD12 ILE 51 -11.936 -0.070 3.111
374 HD13 ILE 51 HD13 ILE 51 -13.373 0.555 2.303
375 H ILE 52 H ILE 52 -12.011 0.592 -3.747
376 HA ILE 52 HA ILE 52 -11.453 3.260 -4.719
377 HB ILE 52 HB ILE 52 -12.625 0.873 -6.187
378 HG12 ILE 52 HG12 ILE 52 -10.445 0.276 -5.250
379 HG13 ILE 52 HG13 ILE 52 -10.355 0.413 -6.998
380 HG21 ILE 52 HG21 ILE 52 -12.976 2.990 -7.344
381 HG22 ILE 52 HG22 ILE 52 -11.838 1.966 -8.213
382 HG23 ILE 52 HG23 ILE 52 -11.245 3.329 -7.263
383 HD11 ILE 52 HD11 ILE 52 -9.381 2.446 -4.995
384 HD12 ILE 52 HD12 ILE 52 -9.313 2.626 -6.747
385 HD13 ILE 52 HD13 ILE 52 -8.383 1.352 -5.954
386 H HIS 53 H HIS 53 -14.217 1.105 -4.373
387 HA HIS 53 HA HIS 53 -15.990 3.409 -4.387
388 HB2 HIS 53 HB2 HIS 53 -16.452 0.756 -5.808
389 HB3 HIS 53 HB3 HIS 53 -17.723 1.916 -5.466
390 HD1 HIS 53 HD3 HIS 53 -17.955 3.876 -7.051
391 HD2 HIS 53 HD2 HIS 53 -14.591 1.568 -7.780
392 HE1 HIS 53 HE1 HIS 53 -17.039 4.673 -9.273
Start of MODEL 8
1 H1 GLU 1 1HT GLU 1 -16.416 -2.218 -3.827
2 H2 GLU 1 2HT GLU 1 -15.624 -3.387 -2.911
3 H3 GLU 1 3HT GLU 1 -16.897 -3.842 -3.935
4 HA GLU 1 HA GLU 1 -14.841 -4.448 -4.879
5 HB2 GLU 1 HB2 GLU 1 -16.019 -2.010 -6.227
6 HB3 GLU 1 HB3 GLU 1 -14.843 -3.072 -6.990
7 HG2 GLU 1 HG2 GLU 1 -16.404 -4.952 -6.663
8 HG3 GLU 1 HG3 GLU 1 -17.583 -3.808 -6.038
9 H GLU 2 H GLU 2 -12.771 -4.217 -5.022
10 HA GLU 2 HA GLU 2 -11.576 -1.712 -4.015
11 HB2 GLU 2 HB2 GLU 2 -10.710 -4.526 -3.322
12 HB3 GLU 2 HB3 GLU 2 -9.868 -3.069 -2.851
13 HG2 GLU 2 HG2 GLU 2 -11.054 -3.852 -0.949
14 HG3 GLU 2 HG3 GLU 2 -11.898 -2.427 -1.542
15 H THR 3 H THR 3 -9.335 -1.442 -4.639
16 HA THR 3 HA THR 3 -8.646 -3.027 -6.991
17 HB THR 3 HB THR 3 -9.312 -0.778 -7.741
18 HG1 THR 3 HG1 THR 3 -7.832 -0.847 -9.145
19 HG21 THR 3 HG21 THR 3 -8.809 0.495 -5.724
20 HG22 THR 3 HG22 THR 3 -7.998 1.212 -7.118
21 HG23 THR 3 HG23 THR 3 -7.080 0.234 -5.971
22 H GLU 4 H GLU 4 -6.637 -3.758 -7.130
23 HA GLU 4 HA GLU 4 -4.941 -3.595 -4.763
24 HB2 GLU 4 HB2 GLU 4 -4.635 -5.235 -7.268
25 HB3 GLU 4 HB3 GLU 4 -3.811 -5.448 -5.729
26 HG2 GLU 4 HG2 GLU 4 -6.772 -5.798 -6.134
27 HG3 GLU 4 HG3 GLU 4 -5.607 -7.115 -6.196
28 H GLU 5 H GLU 5 -3.560 -1.914 -4.899
29 HA GLU 5 HA GLU 5 -2.360 -1.376 -7.525
30 HB2 GLU 5 HB2 GLU 5 -3.907 0.385 -6.677
31 HB3 GLU 5 HB3 GLU 5 -2.833 0.605 -5.306
32 HG2 GLU 5 HG2 GLU 5 -2.491 2.299 -6.983
33 HG3 GLU 5 HG3 GLU 5 -1.044 1.302 -6.802
34 HA PRO 6 HA PRO 6 1.293 -2.468 -5.061
35 HB2 PRO 6 HB2 PRO 6 2.608 -2.757 -7.639
36 HB3 PRO 6 HB3 PRO 6 2.308 -3.987 -6.411
37 HG2 PRO 6 HG2 PRO 6 1.034 -3.967 -8.816
38 HG3 PRO 6 HG3 PRO 6 0.298 -4.614 -7.340
39 HD2 PRO 6 HD2 PRO 6 -0.126 -1.957 -8.660
40 HD3 PRO 6 HD3 PRO 6 -1.307 -3.055 -7.906
41 H ILE 7 H ILE 7 2.145 -0.726 -4.267
42 HA ILE 7 HA ILE 7 3.133 1.443 -6.000
43 HB ILE 7 HB ILE 7 3.116 2.883 -4.009
44 HG12 ILE 7 HG12 ILE 7 2.213 0.515 -2.389
45 HG13 ILE 7 HG13 ILE 7 3.917 0.942 -2.505
46 HG21 ILE 7 HG21 ILE 7 0.905 2.803 -3.342
47 HG22 ILE 7 HG22 ILE 7 0.666 1.250 -4.170
48 HG23 ILE 7 HG23 ILE 7 1.074 2.707 -5.100
49 HD11 ILE 7 HD11 ILE 7 3.426 3.126 -1.634
50 HD12 ILE 7 HD12 ILE 7 2.924 1.846 -0.513
51 HD13 ILE 7 HD13 ILE 7 1.717 2.701 -1.502
52 H ARG 8 H ARG 8 5.172 2.446 -5.136
53 HA ARG 8 HA ARG 8 7.072 0.324 -4.470
54 HB2 ARG 8 HB2 ARG 8 7.648 3.164 -5.353
55 HB3 ARG 8 HB3 ARG 8 8.769 1.803 -5.244
56 HG2 ARG 8 HG2 ARG 8 7.661 0.654 -6.979
57 HG3 ARG 8 HG3 ARG 8 6.446 1.925 -7.108
58 HD2 ARG 8 HD2 ARG 8 8.240 3.513 -7.680
59 HD3 ARG 8 HD3 ARG 8 9.392 2.175 -7.608
60 HE ARG 8 HE ARG 8 7.124 1.913 -9.385
61 HH11 ARG 8 HH11 ARG 8 10.573 2.623 -9.024
62 HH12 ARG 8 HH12 ARG 8 10.951 2.304 -10.647
63 HH21 ARG 8 HH21 ARG 8 7.645 1.509 -11.614
64 HH22 ARG 8 HH22 ARG 8 9.238 1.691 -12.171
65 H HIS 9 H HIS 9 8.379 0.522 -2.693
66 HA HIS 9 HA HIS 9 7.706 2.648 -0.785
67 HB2 HIS 9 HB2 HIS 9 6.779 0.341 -0.229
68 HB3 HIS 9 HB3 HIS 9 8.442 -0.212 -0.098
69 HD1 HIS 9 HD3 HIS 9 9.378 -0.096 2.227
70 HD2 HIS 9 HD2 HIS 9 6.209 2.515 1.627
71 HE1 HIS 9 HE1 HIS 9 8.898 1.027 4.488
72 H ALA 10 H ALA 10 9.526 3.417 0.407
73 HA ALA 10 HA ALA 10 11.997 3.117 -1.041
74 HB1 ALA 10 HB1 ALA 10 12.844 4.902 0.284
75 HB2 ALA 10 HB2 ALA 10 11.475 4.768 1.393
76 HB3 ALA 10 HB3 ALA 10 11.214 5.316 -0.268
77 H LYS 11 H LYS 11 10.726 1.574 1.701
78 HA LYS 11 HA LYS 11 13.417 0.854 2.598
79 HB2 LYS 11 HB2 LYS 11 10.735 0.582 3.994
80 HB3 LYS 11 HB3 LYS 11 12.264 0.027 4.657
81 HG2 LYS 11 HG2 LYS 11 13.097 2.238 4.884
82 HG3 LYS 11 HG3 LYS 11 11.792 2.904 3.909
83 HD2 LYS 11 HD2 LYS 11 11.497 3.382 6.305
84 HD3 LYS 11 HD3 LYS 11 10.187 2.394 5.678
85 HE2 LYS 11 HE2 LYS 11 11.192 0.414 6.654
86 HE3 LYS 11 HE3 LYS 11 12.567 1.362 7.222
87 HZ1 LYS 11 HZ1 LYS 11 10.849 0.930 8.954
88 HZ2 LYS 11 HZ2 LYS 11 9.750 1.865 8.073
89 HZ3 LYS 11 HZ3 LYS 11 11.141 2.560 8.705
90 H LYS 12 H LYS 12 14.034 -1.219 2.452
91 HA LYS 12 HA LYS 12 13.230 -2.683 0.305
92 HB2 LYS 12 HB2 LYS 12 15.398 -2.972 1.355
93 HB3 LYS 12 HB3 LYS 12 14.646 -3.742 2.747
94 HG2 LYS 12 HG2 LYS 12 13.862 -5.569 1.294
95 HG3 LYS 12 HG3 LYS 12 14.653 -4.798 -0.077
96 HD2 LYS 12 HD2 LYS 12 16.815 -5.025 1.068
97 HD3 LYS 12 HD3 LYS 12 16.002 -5.828 2.413
98 HE2 LYS 12 HE2 LYS 12 16.019 -6.816 -0.438
99 HE3 LYS 12 HE3 LYS 12 17.082 -7.409 0.837
100 HZ1 LYS 12 HZ1 LYS 12 14.096 -7.623 0.857
101 HZ2 LYS 12 HZ2 LYS 12 15.164 -8.234 2.019
102 HZ3 LYS 12 HZ3 LYS 12 15.178 -8.857 0.477
103 H ASN 13 H ASN 13 12.338 -3.430 3.636
104 HA ASN 13 HA ASN 13 10.273 -5.132 2.468
105 HB2 ASN 13 HB2 ASN 13 12.350 -6.504 3.051
106 HB3 ASN 13 HB3 ASN 13 11.941 -6.202 4.739
107 HD21 ASN 13 HD21 ASN 13 11.099 -7.835 1.832
108 HD22 ASN 13 HD22 ASN 13 9.878 -8.862 2.487
109 HA PRO 14 HA PRO 14 8.457 -2.809 5.854
110 HB2 PRO 14 HB2 PRO 14 6.361 -1.925 4.466
111 HB3 PRO 14 HB3 PRO 14 7.959 -1.178 4.342
112 HG2 PRO 14 HG2 PRO 14 6.514 -2.919 2.439
113 HG3 PRO 14 HG3 PRO 14 7.722 -1.670 2.127
114 HD2 PRO 14 HD2 PRO 14 8.144 -4.461 2.199
115 HD3 PRO 14 HD3 PRO 14 9.369 -3.188 2.093
116 H SER 15 H SER 15 6.881 -3.338 7.237
117 HA SER 15 HA SER 15 5.133 -5.570 6.676
118 HB2 SER 15 HB2 SER 15 5.439 -3.832 9.145
119 HB3 SER 15 HB3 SER 15 4.564 -5.365 9.061
120 HG SER 15 HG SER 15 7.027 -5.703 8.099
121 H GLU 16 H GLU 16 2.736 -5.037 7.682
122 HA GLU 16 HA GLU 16 1.487 -3.441 5.815
123 HB2 GLU 16 HB2 GLU 16 0.479 -4.332 8.491
124 HB3 GLU 16 HB3 GLU 16 -0.519 -3.448 7.348
125 HG2 GLU 16 HG2 GLU 16 -0.081 -5.285 5.702
126 HG3 GLU 16 HG3 GLU 16 0.686 -6.183 7.013
127 H GLY 17 H GLY 17 2.600 -2.458 8.989
128 HA2 GLY 17 HA2 GLY 17 1.241 0.003 9.162
129 HA3 GLY 17 HA3 GLY 17 2.768 -0.356 9.954
130 H GLU 18 H GLU 18 4.343 -0.776 7.702
131 HA GLU 18 HA GLU 18 4.992 1.917 7.014
132 HB2 GLU 18 HB2 GLU 18 6.051 -0.707 6.001
133 HB3 GLU 18 HB3 GLU 18 6.740 0.863 5.595
134 HG2 GLU 18 HG2 GLU 18 6.554 -0.372 8.319
135 HG3 GLU 18 HG3 GLU 18 8.012 -0.234 7.332
136 H CYS 19 H CYS 19 3.789 -0.882 5.217
137 HA CYS 19 HA CYS 19 3.510 0.396 2.763
138 HB2 CYS 19 HB2 CYS 19 1.987 -1.912 3.944
139 HB3 CYS 19 HB3 CYS 19 1.818 -1.386 2.278
140 H LYS 20 H LYS 20 1.211 0.067 5.460
141 HA LYS 20 HA LYS 20 -0.938 1.261 4.188
142 HB2 LYS 20 HB2 LYS 20 -1.194 0.005 6.286
143 HB3 LYS 20 HB3 LYS 20 -0.263 1.214 7.140
144 HG2 LYS 20 HG2 LYS 20 -2.601 1.511 7.651
145 HG3 LYS 20 HG3 LYS 20 -2.040 2.877 6.693
146 HD2 LYS 20 HD2 LYS 20 -4.213 2.209 5.899
147 HD3 LYS 20 HD3 LYS 20 -3.017 1.796 4.674
148 HE2 LYS 20 HE2 LYS 20 -4.612 -0.010 4.915
149 HE3 LYS 20 HE3 LYS 20 -3.038 -0.543 5.485
150 HZ1 LYS 20 HZ1 LYS 20 -3.807 -0.189 7.771
151 HZ2 LYS 20 HZ2 LYS 20 -4.824 -1.240 6.963
152 HZ3 LYS 20 HZ3 LYS 20 -5.301 0.337 7.211
153 H LYS 21 H LYS 21 1.681 2.641 6.168
154 HA LYS 21 HA LYS 21 0.743 5.269 6.247
155 HB2 LYS 21 HB2 LYS 21 2.622 4.384 7.610
156 HB3 LYS 21 HB3 LYS 21 3.628 4.353 6.168
157 HG2 LYS 21 HG2 LYS 21 4.162 6.308 7.465
158 HG3 LYS 21 HG3 LYS 21 3.348 6.810 5.980
159 HD2 LYS 21 HD2 LYS 21 1.234 7.004 7.221
160 HD3 LYS 21 HD3 LYS 21 2.069 6.535 8.699
161 HE2 LYS 21 HE2 LYS 21 1.824 8.925 8.656
162 HE3 LYS 21 HE3 LYS 21 3.523 8.503 8.447
163 HZ1 LYS 21 HZ1 LYS 21 2.852 10.250 6.952
164 HZ2 LYS 21 HZ2 LYS 21 1.649 9.292 6.283
165 HZ3 LYS 21 HZ3 LYS 21 3.274 8.894 6.051
166 H ALA 22 H ALA 22 2.880 3.657 3.927
167 HA ALA 22 HA ALA 22 3.311 5.897 2.282
168 HB1 ALA 22 HB1 ALA 22 4.174 4.294 0.657
169 HB2 ALA 22 HB2 ALA 22 3.478 2.968 1.591
170 HB3 ALA 22 HB3 ALA 22 4.773 3.947 2.279
171 H CYS 23 H CYS 23 1.105 3.114 1.893
172 HA CYS 23 HA CYS 23 -0.131 3.882 -0.480
173 HB2 CYS 23 HB2 CYS 23 -1.308 2.373 1.854
174 HB3 CYS 23 HB3 CYS 23 -2.059 2.485 0.271
175 H ALA 24 H ALA 24 -0.878 4.807 2.836
176 HA ALA 24 HA ALA 24 -3.281 6.157 2.256
177 HB1 ALA 24 HB1 ALA 24 -2.666 5.428 4.495
178 HB2 ALA 24 HB2 ALA 24 -2.996 7.161 4.456
179 HB3 ALA 24 HB3 ALA 24 -1.331 6.579 4.512
180 H ASP 25 H ASP 25 -0.027 7.352 2.939
181 HA ASP 25 HA ASP 25 -0.541 10.068 2.530
182 HB2 ASP 25 HB2 ASP 25 1.436 9.152 3.702
183 HB3 ASP 25 HB3 ASP 25 2.076 8.610 2.157
184 H ALA 26 H ALA 26 0.532 7.584 0.265
185 HA ALA 26 HA ALA 26 0.912 9.468 -1.851
186 HB1 ALA 26 HB1 ALA 26 0.894 6.463 -1.977
187 HB2 ALA 26 HB2 ALA 26 2.307 7.471 -1.656
188 HB3 ALA 26 HB3 ALA 26 1.494 7.561 -3.219
189 H PHE 27 H PHE 27 -1.902 7.903 -0.653
190 HA PHE 27 HA PHE 27 -3.107 8.317 -3.304
191 HB2 PHE 27 HB2 PHE 27 -3.547 6.013 -1.464
192 HB3 PHE 27 HB3 PHE 27 -4.821 6.501 -2.580
193 HD1 PHE 27 HD1 PHE 27 -4.235 6.686 -5.012
194 HD2 PHE 27 HD2 PHE 27 -1.740 4.619 -2.230
195 HE1 PHE 27 HE1 PHE 27 -3.179 5.478 -6.844
196 HE2 PHE 27 HE2 PHE 27 -0.729 3.415 -4.059
197 HZ PHE 27 HZ PHE 27 -1.408 3.840 -6.372
198 H ALA 28 H ALA 28 -3.814 8.399 0.119
199 HA ALA 28 HA ALA 28 -6.111 10.102 -0.539
200 HB1 ALA 28 HB1 ALA 28 -7.121 9.369 1.536
201 HB2 ALA 28 HB2 ALA 28 -5.696 8.398 1.914
202 HB3 ALA 28 HB3 ALA 28 -6.717 7.971 0.539
203 H ASN 29 H ASN 29 -3.138 10.458 0.052
204 HA ASN 29 HA ASN 29 -1.745 11.968 0.944
205 HB2 ASN 29 HB2 ASN 29 -4.292 13.557 0.919
206 HB3 ASN 29 HB3 ASN 29 -2.816 14.255 1.578
207 HD21 ASN 29 HD21 ASN 29 -4.340 15.049 -0.771
208 HD22 ASN 29 HD22 ASN 29 -3.251 14.942 -2.110
209 H GLY 30 H GLY 30 -2.996 10.062 2.764
210 HA2 GLY 30 HA2 GLY 30 -1.681 10.209 4.961
211 HA3 GLY 30 HA3 GLY 30 -2.694 11.612 5.244
212 H ASP 31 H ASP 31 -4.973 10.226 3.924
213 HA ASP 31 HA ASP 31 -6.086 9.134 6.303
214 HB2 ASP 31 HB2 ASP 31 -7.478 10.273 4.604
215 HB3 ASP 31 HB3 ASP 31 -7.182 8.928 3.506
216 H GLN 32 H GLN 32 -5.901 7.191 7.103
217 HA GLN 32 HA GLN 32 -4.807 5.078 5.427
218 HB2 GLN 32 HB2 GLN 32 -5.039 5.276 8.429
219 HB3 GLN 32 HB3 GLN 32 -4.270 3.957 7.554
220 HG2 GLN 32 HG2 GLN 32 -2.680 5.608 6.598
221 HG3 GLN 32 HG3 GLN 32 -3.408 6.836 7.618
222 HE21 GLN 32 HE21 GLN 32 -0.717 5.806 7.526
223 HE22 GLN 32 HE22 GLN 32 -0.332 5.245 9.115
224 H SER 33 H SER 33 -7.822 6.011 5.987
225 HA SER 33 HA SER 33 -8.860 3.388 6.712
226 HB2 SER 33 HB2 SER 33 -9.775 5.477 7.801
227 HB3 SER 33 HB3 SER 33 -10.385 5.972 6.223
228 HG SER 33 HG SER 33 -11.839 4.340 6.261
229 H LYS 34 H LYS 34 -8.637 5.667 4.096
230 HA LYS 34 HA LYS 34 -10.358 4.552 2.191
231 HB2 LYS 34 HB2 LYS 34 -9.166 6.778 2.143
232 HB3 LYS 34 HB3 LYS 34 -7.712 5.917 1.684
233 HG2 LYS 34 HG2 LYS 34 -8.790 6.951 -0.234
234 HG3 LYS 34 HG3 LYS 34 -8.787 5.192 -0.383
235 HD2 LYS 34 HD2 LYS 34 -11.073 5.046 0.194
236 HD3 LYS 34 HD3 LYS 34 -11.111 6.717 0.751
237 HE2 LYS 34 HE2 LYS 34 -10.674 5.832 -2.100
238 HE3 LYS 34 HE3 LYS 34 -12.206 6.393 -1.428
239 HZ1 LYS 34 HZ1 LYS 34 -11.139 8.530 -0.932
240 HZ2 LYS 34 HZ2 LYS 34 -11.138 8.195 -2.564
241 HZ3 LYS 34 HZ3 LYS 34 -9.716 8.018 -1.678
242 H ILE 35 H ILE 35 -7.172 3.742 3.180
243 HA ILE 35 HA ILE 35 -6.919 1.601 1.192
244 HB ILE 35 HB ILE 35 -4.912 2.522 3.280
245 HG12 ILE 35 HG12 ILE 35 -5.349 4.367 1.716
246 HG13 ILE 35 HG13 ILE 35 -3.730 3.722 1.489
247 HG21 ILE 35 HG21 ILE 35 -3.272 1.311 1.915
248 HG22 ILE 35 HG22 ILE 35 -4.560 0.809 0.823
249 HG23 ILE 35 HG23 ILE 35 -4.555 0.249 2.494
250 HD11 ILE 35 HD11 ILE 35 -6.125 3.127 -0.227
251 HD12 ILE 35 HD12 ILE 35 -4.490 2.507 -0.475
252 HD13 ILE 35 HD13 ILE 35 -4.813 4.238 -0.631
253 H ALA 36 H ALA 36 -7.890 -0.210 1.906
254 HA ALA 36 HA ALA 36 -8.650 -0.605 4.627
255 HB1 ALA 36 HB1 ALA 36 -9.894 -1.588 2.788
256 HB2 ALA 36 HB2 ALA 36 -9.371 -2.835 3.924
257 HB3 ALA 36 HB3 ALA 36 -8.526 -2.624 2.386
258 H LYS 37 H LYS 37 -6.407 -2.381 2.608
259 HA LYS 37 HA LYS 37 -4.687 -2.771 4.908
260 HB2 LYS 37 HB2 LYS 37 -5.723 -4.894 3.039
261 HB3 LYS 37 HB3 LYS 37 -4.190 -5.079 3.873
262 HG2 LYS 37 HG2 LYS 37 -5.270 -5.060 6.007
263 HG3 LYS 37 HG3 LYS 37 -6.813 -4.614 5.279
264 HD2 LYS 37 HD2 LYS 37 -6.675 -7.019 5.883
265 HD3 LYS 37 HD3 LYS 37 -6.972 -6.747 4.172
266 HE2 LYS 37 HE2 LYS 37 -5.367 -8.537 4.455
267 HE3 LYS 37 HE3 LYS 37 -4.577 -7.158 3.711
268 HZ1 LYS 37 HZ1 LYS 37 -3.223 -8.196 5.358
269 HZ2 LYS 37 HZ2 LYS 37 -4.368 -7.988 6.559
270 HZ3 LYS 37 HZ3 LYS 37 -3.563 -6.649 5.926
271 H ALA 38 H ALA 38 -2.510 -3.326 4.204
272 HA ALA 38 HA ALA 38 -1.880 -2.956 1.423
273 HB1 ALA 38 HB1 ALA 38 -1.846 -0.665 2.326
274 HB2 ALA 38 HB2 ALA 38 -0.226 -1.222 1.925
275 HB3 ALA 38 HB3 ALA 38 -0.754 -1.191 3.610
276 H GLU 39 H GLU 39 -0.527 -4.543 1.039
277 HA GLU 39 HA GLU 39 1.016 -5.540 3.340
278 HB2 GLU 39 HB2 GLU 39 -0.242 -7.274 1.211
279 HB3 GLU 39 HB3 GLU 39 0.680 -7.835 2.600
280 HG2 GLU 39 HG2 GLU 39 -1.098 -6.772 4.045
281 HG3 GLU 39 HG3 GLU 39 -2.038 -6.553 2.573
282 H ASN 40 H ASN 40 2.792 -7.025 2.610
283 HA ASN 40 HA ASN 40 4.487 -5.575 0.857
284 HB2 ASN 40 HB2 ASN 40 5.440 -6.780 2.720
285 HB3 ASN 40 HB3 ASN 40 4.810 -8.309 2.120
286 HD21 ASN 40 HD21 ASN 40 7.155 -5.867 1.736
287 HD22 ASN 40 HD22 ASN 40 8.231 -6.705 0.666
288 H PHE 41 H PHE 41 4.530 -5.664 -1.230
289 HA PHE 41 HA PHE 41 3.201 -7.854 -2.617
290 HB2 PHE 41 HB2 PHE 41 2.660 -5.594 -3.379
291 HB3 PHE 41 HB3 PHE 41 4.363 -5.233 -3.607
292 HD1 PHE 41 HD1 PHE 41 5.538 -5.970 -5.553
293 HD2 PHE 41 HD2 PHE 41 1.478 -7.077 -4.947
294 HE1 PHE 41 HE1 PHE 41 5.435 -6.731 -7.842
295 HE2 PHE 41 HE2 PHE 41 1.346 -7.842 -7.280
296 HZ PHE 41 HZ PHE 41 3.322 -7.675 -8.745
297 H LYS 42 H LYS 42 6.335 -6.250 -2.395
298 HA LYS 42 HA LYS 42 7.810 -8.586 -2.948
299 HB2 LYS 42 HB2 LYS 42 6.914 -7.765 -5.251
300 HB3 LYS 42 HB3 LYS 42 7.886 -6.338 -5.004
301 HG2 LYS 42 HG2 LYS 42 9.008 -7.840 -6.475
302 HG3 LYS 42 HG3 LYS 42 9.903 -7.744 -4.962
303 HD2 LYS 42 HD2 LYS 42 9.836 -10.053 -5.627
304 HD3 LYS 42 HD3 LYS 42 8.738 -9.880 -4.265
305 HE2 LYS 42 HE2 LYS 42 7.693 -11.265 -5.933
306 HE3 LYS 42 HE3 LYS 42 6.840 -9.728 -5.882
307 HZ1 LYS 42 HZ1 LYS 42 7.245 -10.464 -8.159
308 HZ2 LYS 42 HZ2 LYS 42 8.900 -10.501 -7.877
309 HZ3 LYS 42 HZ3 LYS 42 8.098 -9.039 -7.879
310 H ASP 43 H ASP 43 10.265 -7.650 -2.971
311 HA ASP 43 HA ASP 43 10.426 -5.808 -0.842
312 HB2 ASP 43 HB2 ASP 43 12.569 -6.730 -2.762
313 HB3 ASP 43 HB3 ASP 43 12.887 -5.568 -1.483
314 H TYR 44 H TYR 44 10.566 -3.768 -0.715
315 HA TYR 44 HA TYR 44 10.331 -1.598 -1.184
316 HB2 TYR 44 HB2 TYR 44 11.639 -2.356 -3.803
317 HB3 TYR 44 HB3 TYR 44 11.211 -0.706 -3.380
318 HD1 TYR 44 HD1 TYR 44 13.580 -3.420 -2.869
319 HD2 TYR 44 HD2 TYR 44 12.379 0.431 -1.545
320 HE1 TYR 44 HE1 TYR 44 15.740 -3.136 -1.751
321 HE2 TYR 44 HE2 TYR 44 14.512 0.744 -0.429
322 HH TYR 44 HH TYR 44 17.185 -1.318 -0.954
323 H TYR 45 H TYR 45 8.235 -3.685 -2.027
324 HA TYR 45 HA TYR 45 6.552 -1.741 -3.431
325 HB2 TYR 45 HB2 TYR 45 6.872 -4.640 -4.189
326 HB3 TYR 45 HB3 TYR 45 5.522 -3.645 -4.704
327 HD1 TYR 45 HD1 TYR 45 5.989 -1.651 -6.133
328 HD2 TYR 45 HD2 TYR 45 8.929 -4.608 -5.357
329 HE1 TYR 45 HE1 TYR 45 7.249 -0.919 -8.114
330 HE2 TYR 45 HE2 TYR 45 10.184 -3.896 -7.312
331 HH TYR 45 HH TYR 45 9.655 -2.776 -9.469
332 H CYS 46 H CYS 46 4.496 -1.703 -2.838
333 HA CYS 46 HA CYS 46 3.569 -3.704 -0.902
334 HB2 CYS 46 HB2 CYS 46 3.222 -0.706 -0.648
335 HB3 CYS 46 HB3 CYS 46 2.384 -1.894 0.342
336 H ASN 47 H ASN 47 1.538 -4.370 -1.188
337 HA ASN 47 HA ASN 47 0.082 -3.351 -3.526
338 HB2 ASN 47 HB2 ASN 47 0.425 -5.809 -3.313
339 HB3 ASN 47 HB3 ASN 47 -0.424 -5.777 -1.774
340 HD21 ASN 47 HD21 ASN 47 -2.670 -5.639 -1.766
341 HD22 ASN 47 HD22 ASN 47 -3.618 -5.840 -3.175
342 H CYS 48 H CYS 48 -1.140 -1.692 -3.082
343 HA CYS 48 HA CYS 48 -2.303 -1.382 -0.452
344 HB2 CYS 48 HB2 CYS 48 -2.582 0.441 -2.866
345 HB3 CYS 48 HB3 CYS 48 -2.878 0.799 -1.163
346 H HIS 49 H HIS 49 -4.410 -1.740 -0.032
347 HA HIS 49 HA HIS 49 -6.051 -2.736 -2.236
348 HB2 HIS 49 HB2 HIS 49 -6.410 -3.137 0.768
349 HB3 HIS 49 HB3 HIS 49 -7.364 -3.894 -0.495
350 HD1 HIS 49 HD3 HIS 49 -6.564 -6.251 -1.162
351 HD2 HIS 49 HD2 HIS 49 -3.607 -4.007 0.696
352 HE1 HIS 49 HE1 HIS 49 -4.660 -7.830 -0.731
353 H ILE 50 H ILE 50 -6.872 -0.895 -2.962
354 HA ILE 50 HA ILE 50 -7.631 1.186 -1.076
355 HB ILE 50 HB ILE 50 -7.811 1.362 -4.092
356 HG12 ILE 50 HG12 ILE 50 -5.420 2.046 -2.353
357 HG13 ILE 50 HG13 ILE 50 -5.509 0.656 -3.425
358 HG21 ILE 50 HG21 ILE 50 -7.541 3.763 -3.615
359 HG22 ILE 50 HG22 ILE 50 -7.404 3.364 -1.896
360 HG23 ILE 50 HG23 ILE 50 -8.933 3.086 -2.739
361 HD11 ILE 50 HD11 ILE 50 -4.221 2.464 -4.412
362 HD12 ILE 50 HD12 ILE 50 -5.602 3.549 -4.259
363 HD13 ILE 50 HD13 ILE 50 -5.687 2.161 -5.344
364 H ILE 51 H ILE 51 -9.678 1.635 -0.555
365 HA ILE 51 HA ILE 51 -11.739 -0.118 -1.498
366 HB ILE 51 HB ILE 51 -11.895 2.212 0.426
367 HG12 ILE 51 HG12 ILE 51 -10.474 0.431 1.296
368 HG13 ILE 51 HG13 ILE 51 -11.995 0.479 2.178
369 HG21 ILE 51 HG21 ILE 51 -14.078 1.742 -0.574
370 HG22 ILE 51 HG22 ILE 51 -14.064 1.257 1.121
371 HG23 ILE 51 HG23 ILE 51 -13.921 0.038 -0.143
372 HD11 ILE 51 HD11 ILE 51 -11.145 -1.493 0.090
373 HD12 ILE 51 HD12 ILE 51 -12.791 -1.355 0.685
374 HD13 ILE 51 HD13 ILE 51 -11.505 -1.807 1.794
375 H ILE 52 H ILE 52 -12.501 0.239 -3.405
376 HA ILE 52 HA ILE 52 -13.029 2.918 -4.395
377 HB ILE 52 HB ILE 52 -13.505 0.172 -5.610
378 HG12 ILE 52 HG12 ILE 52 -11.132 0.631 -5.370
379 HG13 ILE 52 HG13 ILE 52 -11.582 0.674 -7.067
380 HG21 ILE 52 HG21 ILE 52 -15.066 1.709 -6.574
381 HG22 ILE 52 HG22 ILE 52 -13.812 1.340 -7.762
382 HG23 ILE 52 HG23 ILE 52 -13.784 2.874 -6.890
383 HD11 ILE 52 HD11 ILE 52 -11.089 3.062 -5.292
384 HD12 ILE 52 HD12 ILE 52 -11.595 3.130 -6.978
385 HD13 ILE 52 HD13 ILE 52 -10.023 2.450 -6.558
386 H HIS 53 H HIS 53 -14.490 0.222 -2.948
387 HA HIS 53 HA HIS 53 -16.424 -0.265 -2.002
388 HB2 HIS 53 HB2 HIS 53 -16.362 2.082 -1.077
389 HB3 HIS 53 HB3 HIS 53 -17.285 2.607 -2.480
390 HD1 HIS 53 HD3 HIS 53 -19.841 1.912 -2.538
391 HD2 HIS 53 HD2 HIS 53 -17.778 0.740 0.870
392 HE1 HIS 53 HE1 HIS 53 -21.600 1.246 -0.871
Start of MODEL 9
1 H1 GLU 1 1HT GLU 1 -15.253 -0.915 -2.152
2 H2 GLU 1 2HT GLU 1 -14.561 -2.208 -1.373
3 H3 GLU 1 3HT GLU 1 -16.073 -2.415 -2.107
4 HA GLU 1 HA GLU 1 -14.419 -3.493 -3.337
5 HB2 GLU 1 HB2 GLU 1 -15.143 -0.886 -4.625
6 HB3 GLU 1 HB3 GLU 1 -14.266 -2.163 -5.445
7 HG2 GLU 1 HG2 GLU 1 -17.061 -2.319 -4.356
8 HG3 GLU 1 HG3 GLU 1 -16.462 -2.336 -6.034
9 H GLU 2 H GLU 2 -12.551 -3.866 -3.303
10 HA GLU 2 HA GLU 2 -10.582 -1.746 -2.813
11 HB2 GLU 2 HB2 GLU 2 -10.571 -4.582 -1.769
12 HB3 GLU 2 HB3 GLU 2 -9.216 -3.479 -1.635
13 HG2 GLU 2 HG2 GLU 2 -10.300 -3.470 0.459
14 HG3 GLU 2 HG3 GLU 2 -10.702 -1.953 -0.337
15 H THR 3 H THR 3 -9.235 -1.464 -4.361
16 HA THR 3 HA THR 3 -8.744 -3.649 -6.243
17 HB THR 3 HB THR 3 -8.395 -0.669 -6.650
18 HG1 THR 3 HG1 THR 3 -10.563 -1.933 -6.342
19 HG21 THR 3 HG21 THR 3 -7.028 -2.099 -8.164
20 HG22 THR 3 HG22 THR 3 -8.313 -1.270 -9.042
21 HG23 THR 3 HG23 THR 3 -8.487 -2.974 -8.629
22 H GLU 4 H GLU 4 -6.674 -4.197 -6.765
23 HA GLU 4 HA GLU 4 -4.692 -3.853 -4.733
24 HB2 GLU 4 HB2 GLU 4 -4.354 -5.087 -7.447
25 HB3 GLU 4 HB3 GLU 4 -3.488 -5.452 -5.962
26 HG2 GLU 4 HG2 GLU 4 -6.411 -6.038 -6.407
27 HG3 GLU 4 HG3 GLU 4 -5.125 -7.196 -6.698
28 H GLU 5 H GLU 5 -2.916 -2.543 -4.885
29 HA GLU 5 HA GLU 5 -2.116 -1.462 -7.471
30 HB2 GLU 5 HB2 GLU 5 -3.716 0.140 -6.439
31 HB3 GLU 5 HB3 GLU 5 -2.633 0.275 -5.065
32 HG2 GLU 5 HG2 GLU 5 -2.310 2.145 -6.475
33 HG3 GLU 5 HG3 GLU 5 -0.881 1.115 -6.603
34 HA PRO 6 HA PRO 6 1.640 -2.514 -5.094
35 HB2 PRO 6 HB2 PRO 6 2.923 -2.486 -7.714
36 HB3 PRO 6 HB3 PRO 6 2.796 -3.811 -6.553
37 HG2 PRO 6 HG2 PRO 6 1.446 -3.811 -8.910
38 HG3 PRO 6 HG3 PRO 6 0.815 -4.581 -7.444
39 HD2 PRO 6 HD2 PRO 6 0.098 -1.937 -8.654
40 HD3 PRO 6 HD3 PRO 6 -0.945 -3.159 -7.895
41 H ILE 7 H ILE 7 2.351 -0.758 -4.159
42 HA ILE 7 HA ILE 7 3.216 1.587 -5.743
43 HB ILE 7 HB ILE 7 2.963 2.947 -3.708
44 HG12 ILE 7 HG12 ILE 7 2.139 0.496 -2.192
45 HG13 ILE 7 HG13 ILE 7 3.844 0.937 -2.268
46 HG21 ILE 7 HG21 ILE 7 0.704 2.629 -3.158
47 HG22 ILE 7 HG22 ILE 7 0.674 1.102 -4.055
48 HG23 ILE 7 HG23 ILE 7 0.983 2.626 -4.904
49 HD11 ILE 7 HD11 ILE 7 2.810 1.772 -0.264
50 HD12 ILE 7 HD12 ILE 7 1.610 2.642 -1.245
51 HD13 ILE 7 HD13 ILE 7 3.322 3.085 -1.331
52 H ARG 8 H ARG 8 5.112 2.713 -4.697
53 HA ARG 8 HA ARG 8 7.257 0.765 -4.224
54 HB2 ARG 8 HB2 ARG 8 7.417 3.761 -4.603
55 HB3 ARG 8 HB3 ARG 8 8.728 2.593 -4.662
56 HG2 ARG 8 HG2 ARG 8 8.056 1.762 -6.730
57 HG3 ARG 8 HG3 ARG 8 6.473 2.549 -6.623
58 HD2 ARG 8 HD2 ARG 8 9.135 3.949 -6.811
59 HD3 ARG 8 HD3 ARG 8 7.989 3.761 -8.136
60 HE ARG 8 HE ARG 8 6.575 4.916 -6.089
61 HH11 ARG 8 HH11 ARG 8 9.428 5.838 -7.973
62 HH12 ARG 8 HH12 ARG 8 9.131 7.496 -7.868
63 HH21 ARG 8 HH21 ARG 8 6.211 7.216 -5.887
64 HH22 ARG 8 HH22 ARG 8 7.254 8.311 -6.662
65 H HIS 9 H HIS 9 8.457 0.859 -2.290
66 HA HIS 9 HA HIS 9 7.894 3.039 -0.442
67 HB2 HIS 9 HB2 HIS 9 6.508 0.932 0.177
68 HB3 HIS 9 HB3 HIS 9 8.053 0.186 0.574
69 HD1 HIS 9 HD3 HIS 9 8.948 0.681 2.952
70 HD2 HIS 9 HD2 HIS 9 5.894 3.221 1.773
71 HE1 HIS 9 HE1 HIS 9 8.414 2.106 4.961
72 H ALA 10 H ALA 10 9.659 3.331 1.068
73 HA ALA 10 HA ALA 10 12.153 2.880 -0.280
74 HB1 ALA 10 HB1 ALA 10 11.606 5.028 0.731
75 HB2 ALA 10 HB2 ALA 10 13.103 4.344 1.374
76 HB3 ALA 10 HB3 ALA 10 11.621 4.271 2.327
77 H LYS 11 H LYS 11 10.732 0.578 1.304
78 HA LYS 11 HA LYS 11 13.148 -0.182 2.787
79 HB2 LYS 11 HB2 LYS 11 10.331 -0.985 3.562
80 HB3 LYS 11 HB3 LYS 11 11.809 -1.332 4.432
81 HG2 LYS 11 HG2 LYS 11 10.635 1.408 4.047
82 HG3 LYS 11 HG3 LYS 11 10.437 0.417 5.484
83 HD2 LYS 11 HD2 LYS 11 12.866 0.487 5.847
84 HD3 LYS 11 HD3 LYS 11 13.047 1.468 4.391
85 HE2 LYS 11 HE2 LYS 11 13.069 2.868 6.374
86 HE3 LYS 11 HE3 LYS 11 11.654 3.205 5.380
87 HZ1 LYS 11 HZ1 LYS 11 11.739 1.625 7.894
88 HZ2 LYS 11 HZ2 LYS 11 10.355 1.745 6.959
89 HZ3 LYS 11 HZ3 LYS 11 11.013 3.125 7.670
90 H LYS 12 H LYS 12 13.739 -2.303 2.482
91 HA LYS 12 HA LYS 12 13.135 -3.519 0.040
92 HB2 LYS 12 HB2 LYS 12 15.198 -3.937 1.285
93 HB3 LYS 12 HB3 LYS 12 14.289 -4.697 2.576
94 HG2 LYS 12 HG2 LYS 12 13.647 -6.503 1.048
95 HG3 LYS 12 HG3 LYS 12 14.592 -5.736 -0.235
96 HD2 LYS 12 HD2 LYS 12 16.617 -5.974 1.078
97 HD3 LYS 12 HD3 LYS 12 15.699 -6.652 2.420
98 HE2 LYS 12 HE2 LYS 12 16.833 -8.404 1.157
99 HE3 LYS 12 HE3 LYS 12 15.085 -8.565 1.037
100 HZ1 LYS 12 HZ1 LYS 12 16.757 -7.268 -1.052
101 HZ2 LYS 12 HZ2 LYS 12 15.122 -7.724 -1.171
102 HZ3 LYS 12 HZ3 LYS 12 16.309 -8.884 -1.057
103 H ASN 13 H ASN 13 12.153 -4.392 3.290
104 HA ASN 13 HA ASN 13 9.665 -5.464 2.244
105 HB2 ASN 13 HB2 ASN 13 11.503 -6.888 4.190
106 HB3 ASN 13 HB3 ASN 13 9.799 -7.289 4.029
107 HD21 ASN 13 HD21 ASN 13 9.100 -8.312 2.161
108 HD22 ASN 13 HD22 ASN 13 10.184 -9.046 1.033
109 HA PRO 14 HA PRO 14 8.977 -2.531 5.609
110 HB2 PRO 14 HB2 PRO 14 6.612 -1.655 4.245
111 HB3 PRO 14 HB3 PRO 14 8.130 -0.787 4.441
112 HG2 PRO 14 HG2 PRO 14 7.133 -1.779 2.049
113 HG3 PRO 14 HG3 PRO 14 8.808 -1.304 2.327
114 HD2 PRO 14 HD2 PRO 14 7.555 -3.982 2.298
115 HD3 PRO 14 HD3 PRO 14 9.202 -3.499 1.807
116 H SER 15 H SER 15 7.347 -2.450 7.137
117 HA SER 15 HA SER 15 5.830 -4.863 7.354
118 HB2 SER 15 HB2 SER 15 5.078 -3.823 9.527
119 HB3 SER 15 HB3 SER 15 6.826 -3.978 9.355
120 HG SER 15 HG SER 15 6.931 -1.798 8.784
121 H GLU 16 H GLU 16 3.458 -4.679 7.981
122 HA GLU 16 HA GLU 16 2.096 -3.686 5.742
123 HB2 GLU 16 HB2 GLU 16 0.951 -4.621 8.393
124 HB3 GLU 16 HB3 GLU 16 0.029 -4.356 6.932
125 HG2 GLU 16 HG2 GLU 16 0.395 -6.723 7.246
126 HG3 GLU 16 HG3 GLU 16 1.283 -6.181 5.827
127 H GLY 17 H GLY 17 2.545 -2.459 8.984
128 HA2 GLY 17 HA2 GLY 17 0.751 -0.294 8.918
129 HA3 GLY 17 HA3 GLY 17 2.218 -0.360 9.890
130 H GLU 18 H GLU 18 4.196 -0.435 8.051
131 HA GLU 18 HA GLU 18 4.561 2.216 7.232
132 HB2 GLU 18 HB2 GLU 18 5.874 -0.318 6.255
133 HB3 GLU 18 HB3 GLU 18 6.416 1.294 5.824
134 HG2 GLU 18 HG2 GLU 18 6.986 1.763 8.097
135 HG3 GLU 18 HG3 GLU 18 6.290 0.230 8.632
136 H CYS 19 H CYS 19 3.771 -0.676 5.345
137 HA CYS 19 HA CYS 19 3.532 0.564 2.884
138 HB2 CYS 19 HB2 CYS 19 2.113 -1.906 3.902
139 HB3 CYS 19 HB3 CYS 19 2.083 -1.365 2.236
140 H LYS 20 H LYS 20 0.948 -0.055 5.302
141 HA LYS 20 HA LYS 20 -1.105 0.993 3.710
142 HB2 LYS 20 HB2 LYS 20 -1.598 -0.377 5.675
143 HB3 LYS 20 HB3 LYS 20 -0.984 0.886 6.734
144 HG2 LYS 20 HG2 LYS 20 -2.762 2.397 5.969
145 HG3 LYS 20 HG3 LYS 20 -3.385 1.131 4.920
146 HD2 LYS 20 HD2 LYS 20 -3.193 0.964 7.927
147 HD3 LYS 20 HD3 LYS 20 -4.653 1.366 7.030
148 HE2 LYS 20 HE2 LYS 20 -4.566 -0.833 5.929
149 HE3 LYS 20 HE3 LYS 20 -3.116 -1.226 6.850
150 HZ1 LYS 20 HZ1 LYS 20 -5.069 -2.173 7.886
151 HZ2 LYS 20 HZ2 LYS 20 -5.788 -0.651 7.988
152 HZ3 LYS 20 HZ3 LYS 20 -4.430 -0.970 8.887
153 H LYS 21 H LYS 21 1.037 2.539 6.000
154 HA LYS 21 HA LYS 21 -0.231 5.038 6.043
155 HB2 LYS 21 HB2 LYS 21 1.454 4.213 7.671
156 HB3 LYS 21 HB3 LYS 21 2.679 4.390 6.431
157 HG2 LYS 21 HG2 LYS 21 2.493 6.742 6.439
158 HG3 LYS 21 HG3 LYS 21 1.020 6.689 7.409
159 HD2 LYS 21 HD2 LYS 21 2.942 7.317 8.785
160 HD3 LYS 21 HD3 LYS 21 2.275 5.771 9.296
161 HE2 LYS 21 HE2 LYS 21 4.058 4.632 7.986
162 HE3 LYS 21 HE3 LYS 21 4.739 6.217 7.613
163 HZ1 LYS 21 HZ1 LYS 21 4.431 5.011 10.297
164 HZ2 LYS 21 HZ2 LYS 21 5.006 6.565 10.019
165 HZ3 LYS 21 HZ3 LYS 21 5.872 5.223 9.458
166 H ALA 22 H ALA 22 2.336 3.726 3.994
167 HA ALA 22 HA ALA 22 2.702 6.108 2.491
168 HB1 ALA 22 HB1 ALA 22 3.980 4.713 0.953
169 HB2 ALA 22 HB2 ALA 22 3.357 3.262 1.744
170 HB3 ALA 22 HB3 ALA 22 4.406 4.372 2.631
171 H CYS 23 H CYS 23 0.754 3.190 1.999
172 HA CYS 23 HA CYS 23 -0.339 3.768 -0.515
173 HB2 CYS 23 HB2 CYS 23 -1.709 2.433 1.834
174 HB3 CYS 23 HB3 CYS 23 -2.267 2.376 0.172
175 H ALA 24 H ALA 24 -1.343 4.706 2.719
176 HA ALA 24 HA ALA 24 -3.675 6.098 2.075
177 HB1 ALA 24 HB1 ALA 24 -3.057 5.398 4.325
178 HB2 ALA 24 HB2 ALA 24 -3.395 7.129 4.259
179 HB3 ALA 24 HB3 ALA 24 -1.727 6.556 4.325
180 H ASP 25 H ASP 25 -0.441 7.300 2.792
181 HA ASP 25 HA ASP 25 -0.796 9.989 2.323
182 HB2 ASP 25 HB2 ASP 25 1.197 9.138 3.373
183 HB3 ASP 25 HB3 ASP 25 1.660 8.293 1.905
184 H ALA 26 H ALA 26 0.169 7.525 -0.041
185 HA ALA 26 HA ALA 26 0.430 9.504 -2.107
186 HB1 ALA 26 HB1 ALA 26 1.107 7.682 -3.535
187 HB2 ALA 26 HB2 ALA 26 0.590 6.509 -2.323
188 HB3 ALA 26 HB3 ALA 26 1.942 7.591 -1.985
189 H PHE 27 H PHE 27 -2.308 7.946 -0.884
190 HA PHE 27 HA PHE 27 -3.548 8.311 -3.513
191 HB2 PHE 27 HB2 PHE 27 -3.968 5.983 -1.667
192 HB3 PHE 27 HB3 PHE 27 -5.149 6.410 -2.903
193 HD1 PHE 27 HD1 PHE 27 -2.070 4.593 -2.254
194 HD2 PHE 27 HD2 PHE 27 -4.306 6.634 -5.290
195 HE1 PHE 27 HE1 PHE 27 -0.846 3.433 -3.937
196 HE2 PHE 27 HE2 PHE 27 -3.019 5.468 -6.991
197 HZ PHE 27 HZ PHE 27 -1.263 3.855 -6.324
198 H ALA 28 H ALA 28 -4.320 8.102 -0.078
199 HA ALA 28 HA ALA 28 -6.681 9.756 -0.608
200 HB1 ALA 28 HB1 ALA 28 -7.004 7.617 0.602
201 HB2 ALA 28 HB2 ALA 28 -7.501 9.026 1.528
202 HB3 ALA 28 HB3 ALA 28 -5.968 8.229 1.895
203 H ASN 29 H ASN 29 -3.690 10.329 -0.220
204 HA ASN 29 HA ASN 29 -2.407 12.061 0.397
205 HB2 ASN 29 HB2 ASN 29 -5.060 13.402 0.962
206 HB3 ASN 29 HB3 ASN 29 -3.521 14.237 1.099
207 HD21 ASN 29 HD21 ASN 29 -2.385 14.739 -0.791
208 HD22 ASN 29 HD22 ASN 29 -3.097 14.645 -2.359
209 H GLY 30 H GLY 30 -3.562 10.090 2.470
210 HA2 GLY 30 HA2 GLY 30 -1.937 10.231 4.509
211 HA3 GLY 30 HA3 GLY 30 -2.920 11.640 4.883
212 H ASP 31 H ASP 31 -5.362 10.440 3.900
213 HA ASP 31 HA ASP 31 -6.226 9.178 6.280
214 HB2 ASP 31 HB2 ASP 31 -7.845 10.397 4.997
215 HB3 ASP 31 HB3 ASP 31 -7.543 9.405 3.577
216 H GLN 32 H GLN 32 -6.180 7.139 6.899
217 HA GLN 32 HA GLN 32 -5.148 5.178 4.990
218 HB2 GLN 32 HB2 GLN 32 -5.471 4.834 7.973
219 HB3 GLN 32 HB3 GLN 32 -4.558 3.810 6.881
220 HG2 GLN 32 HG2 GLN 32 -3.071 5.791 6.439
221 HG3 GLN 32 HG3 GLN 32 -3.913 6.610 7.751
222 HE21 GLN 32 HE21 GLN 32 -1.155 5.968 7.595
223 HE22 GLN 32 HE22 GLN 32 -0.785 4.907 8.902
224 H SER 33 H SER 33 -8.108 6.191 5.881
225 HA SER 33 HA SER 33 -9.403 3.753 6.624
226 HB2 SER 33 HB2 SER 33 -10.697 6.216 5.459
227 HB3 SER 33 HB3 SER 33 -11.395 5.037 6.570
228 HG SER 33 HG SER 33 -9.811 7.212 7.018
229 H LYS 34 H LYS 34 -8.771 5.540 3.725
230 HA LYS 34 HA LYS 34 -10.456 4.005 2.009
231 HB2 LYS 34 HB2 LYS 34 -9.837 6.344 1.550
232 HB3 LYS 34 HB3 LYS 34 -8.161 5.866 1.364
233 HG2 LYS 34 HG2 LYS 34 -8.718 4.593 -0.608
234 HG3 LYS 34 HG3 LYS 34 -10.429 4.957 -0.390
235 HD2 LYS 34 HD2 LYS 34 -10.002 7.321 -0.732
236 HD3 LYS 34 HD3 LYS 34 -8.268 7.014 -0.846
237 HE2 LYS 34 HE2 LYS 34 -9.248 7.298 -3.048
238 HE3 LYS 34 HE3 LYS 34 -8.625 5.668 -2.832
239 HZ1 LYS 34 HZ1 LYS 34 -11.485 6.484 -2.679
240 HZ2 LYS 34 HZ2 LYS 34 -10.939 4.929 -2.390
241 HZ3 LYS 34 HZ3 LYS 34 -10.741 5.626 -3.920
242 H ILE 35 H ILE 35 -7.668 3.173 3.539
243 HA ILE 35 HA ILE 35 -6.931 1.289 1.416
244 HB ILE 35 HB ILE 35 -5.189 2.227 3.720
245 HG12 ILE 35 HG12 ILE 35 -5.504 4.063 2.122
246 HG13 ILE 35 HG13 ILE 35 -3.859 3.451 2.033
247 HG21 ILE 35 HG21 ILE 35 -3.370 1.063 2.528
248 HG22 ILE 35 HG22 ILE 35 -4.537 0.508 1.325
249 HG23 ILE 35 HG23 ILE 35 -4.670 -0.038 2.989
250 HD11 ILE 35 HD11 ILE 35 -6.093 2.876 0.093
251 HD12 ILE 35 HD12 ILE 35 -4.468 2.200 -0.000
252 HD13 ILE 35 HD13 ILE 35 -4.710 3.940 -0.178
253 H ALA 36 H ALA 36 -7.869 -0.575 1.859
254 HA ALA 36 HA ALA 36 -8.806 -1.207 4.498
255 HB1 ALA 36 HB1 ALA 36 -10.051 -1.907 2.499
256 HB2 ALA 36 HB2 ALA 36 -9.611 -3.288 3.504
257 HB3 ALA 36 HB3 ALA 36 -8.702 -2.941 2.034
258 H LYS 37 H LYS 37 -6.347 -2.487 2.347
259 HA LYS 37 HA LYS 37 -4.905 -3.606 4.627
260 HB2 LYS 37 HB2 LYS 37 -5.591 -5.094 2.080
261 HB3 LYS 37 HB3 LYS 37 -4.465 -5.654 3.295
262 HG2 LYS 37 HG2 LYS 37 -6.228 -5.990 4.868
263 HG3 LYS 37 HG3 LYS 37 -7.392 -5.182 3.811
264 HD2 LYS 37 HD2 LYS 37 -7.175 -6.920 2.159
265 HD3 LYS 37 HD3 LYS 37 -5.886 -7.687 3.078
266 HE2 LYS 37 HE2 LYS 37 -8.709 -7.340 4.072
267 HE3 LYS 37 HE3 LYS 37 -8.116 -8.791 3.272
268 HZ1 LYS 37 HZ1 LYS 37 -7.096 -7.679 5.837
269 HZ2 LYS 37 HZ2 LYS 37 -6.509 -9.068 5.074
270 HZ3 LYS 37 HZ3 LYS 37 -8.081 -9.023 5.654
271 H ALA 38 H ALA 38 -2.664 -4.002 4.015
272 HA ALA 38 HA ALA 38 -1.744 -3.186 1.428
273 HB1 ALA 38 HB1 ALA 38 -1.817 -1.037 2.610
274 HB2 ALA 38 HB2 ALA 38 -0.153 -1.544 2.321
275 HB3 ALA 38 HB3 ALA 38 -0.865 -1.726 3.925
276 H GLU 39 H GLU 39 -0.336 -4.641 0.958
277 HA GLU 39 HA GLU 39 0.953 -6.208 3.131
278 HB2 GLU 39 HB2 GLU 39 0.054 -7.099 0.392
279 HB3 GLU 39 HB3 GLU 39 0.787 -8.109 1.624
280 HG2 GLU 39 HG2 GLU 39 -1.845 -6.706 1.992
281 HG3 GLU 39 HG3 GLU 39 -1.696 -8.329 1.330
282 H ASN 40 H ASN 40 3.057 -7.167 2.423
283 HA ASN 40 HA ASN 40 4.501 -5.419 0.683
284 HB2 ASN 40 HB2 ASN 40 5.785 -6.380 2.490
285 HB3 ASN 40 HB3 ASN 40 5.320 -8.012 2.014
286 HD21 ASN 40 HD21 ASN 40 7.201 -5.223 1.057
287 HD22 ASN 40 HD22 ASN 40 8.296 -6.063 0.021
288 H PHE 41 H PHE 41 4.723 -5.563 -1.378
289 HA PHE 41 HA PHE 41 3.441 -7.805 -2.711
290 HB2 PHE 41 HB2 PHE 41 2.762 -5.510 -3.341
291 HB3 PHE 41 HB3 PHE 41 4.416 -5.160 -3.809
292 HD1 PHE 41 HD1 PHE 41 5.149 -5.594 -5.991
293 HD2 PHE 41 HD2 PHE 41 1.537 -7.379 -4.593
294 HE1 PHE 41 HE1 PHE 41 4.672 -6.409 -8.259
295 HE2 PHE 41 HE2 PHE 41 1.062 -8.186 -6.861
296 HZ PHE 41 HZ PHE 41 2.628 -7.704 -8.693
297 H LYS 42 H LYS 42 6.504 -6.007 -2.637
298 HA LYS 42 HA LYS 42 7.974 -8.279 -3.505
299 HB2 LYS 42 HB2 LYS 42 6.861 -7.385 -5.613
300 HB3 LYS 42 HB3 LYS 42 7.725 -5.887 -5.371
301 HG2 LYS 42 HG2 LYS 42 9.833 -7.027 -5.705
302 HG3 LYS 42 HG3 LYS 42 8.975 -8.568 -5.842
303 HD2 LYS 42 HD2 LYS 42 7.764 -7.700 -7.796
304 HD3 LYS 42 HD3 LYS 42 8.683 -6.199 -7.681
305 HE2 LYS 42 HE2 LYS 42 9.626 -7.706 -9.368
306 HE3 LYS 42 HE3 LYS 42 10.749 -7.412 -8.042
307 HZ1 LYS 42 HZ1 LYS 42 10.699 -9.753 -8.654
308 HZ2 LYS 42 HZ2 LYS 42 9.052 -9.850 -8.329
309 HZ3 LYS 42 HZ3 LYS 42 10.143 -9.547 -7.096
310 H ASP 43 H ASP 43 10.362 -7.292 -3.905
311 HA ASP 43 HA ASP 43 11.145 -5.911 -1.615
312 HB2 ASP 43 HB2 ASP 43 12.566 -6.120 -4.285
313 HB3 ASP 43 HB3 ASP 43 13.306 -5.548 -2.798
314 H TYR 44 H TYR 44 10.737 -3.949 -1.087
315 HA TYR 44 HA TYR 44 10.452 -1.728 -1.064
316 HB2 TYR 44 HB2 TYR 44 11.696 -1.807 -3.825
317 HB3 TYR 44 HB3 TYR 44 11.275 -0.317 -2.992
318 HD1 TYR 44 HD1 TYR 44 12.664 0.542 -1.243
319 HD2 TYR 44 HD2 TYR 44 13.506 -3.248 -2.956
320 HE1 TYR 44 HE1 TYR 44 14.858 0.549 -0.147
321 HE2 TYR 44 HE2 TYR 44 15.695 -3.269 -1.868
322 HH TYR 44 HH TYR 44 16.594 -1.132 0.574
323 H TYR 45 H TYR 45 8.436 -3.642 -2.256
324 HA TYR 45 HA TYR 45 6.672 -1.532 -3.288
325 HB2 TYR 45 HB2 TYR 45 6.953 -4.306 -4.439
326 HB3 TYR 45 HB3 TYR 45 5.614 -3.228 -4.797
327 HD1 TYR 45 HD1 TYR 45 6.191 -0.968 -5.839
328 HD2 TYR 45 HD2 TYR 45 8.908 -4.228 -5.745
329 HE1 TYR 45 HE1 TYR 45 7.437 0.029 -7.692
330 HE2 TYR 45 HE2 TYR 45 10.166 -3.248 -7.594
331 HH TYR 45 HH TYR 45 9.746 -0.078 -8.578
332 H CYS 46 H CYS 46 4.670 -1.573 -2.636
333 HA CYS 46 HA CYS 46 3.826 -3.763 -0.864
334 HB2 CYS 46 HB2 CYS 46 3.239 -0.810 -0.513
335 HB3 CYS 46 HB3 CYS 46 2.592 -2.113 0.477
336 H ASN 47 H ASN 47 1.726 -4.424 -1.105
337 HA ASN 47 HA ASN 47 0.315 -3.464 -3.510
338 HB2 ASN 47 HB2 ASN 47 0.670 -5.936 -3.226
339 HB3 ASN 47 HB3 ASN 47 -0.275 -5.855 -1.742
340 HD21 ASN 47 HD21 ASN 47 -1.928 -7.112 -2.416
341 HD22 ASN 47 HD22 ASN 47 -3.066 -6.670 -3.637
342 H CYS 48 H CYS 48 -0.995 -1.874 -3.091
343 HA CYS 48 HA CYS 48 -2.185 -1.639 -0.462
344 HB2 CYS 48 HB2 CYS 48 -2.352 0.254 -2.820
345 HB3 CYS 48 HB3 CYS 48 -2.810 0.534 -1.137
346 H HIS 49 H HIS 49 -4.297 -1.898 -0.112
347 HA HIS 49 HA HIS 49 -5.908 -2.763 -2.387
348 HB2 HIS 49 HB2 HIS 49 -6.262 -3.333 0.563
349 HB3 HIS 49 HB3 HIS 49 -7.278 -3.977 -0.727
350 HD1 HIS 49 HD3 HIS 49 -6.390 -6.135 -1.924
351 HD2 HIS 49 HD2 HIS 49 -3.618 -4.353 0.591
352 HE1 HIS 49 HE1 HIS 49 -4.627 -7.844 -1.546
353 H ILE 50 H ILE 50 -6.619 -0.938 -3.018
354 HA ILE 50 HA ILE 50 -7.287 1.155 -1.133
355 HB ILE 50 HB ILE 50 -7.333 1.277 -4.152
356 HG12 ILE 50 HG12 ILE 50 -5.058 1.995 -2.291
357 HG13 ILE 50 HG13 ILE 50 -5.128 0.505 -3.222
358 HG21 ILE 50 HG21 ILE 50 -7.017 3.342 -1.987
359 HG22 ILE 50 HG22 ILE 50 -8.486 3.085 -2.932
360 HG23 ILE 50 HG23 ILE 50 -7.015 3.685 -3.719
361 HD11 ILE 50 HD11 ILE 50 -5.065 3.291 -4.352
362 HD12 ILE 50 HD12 ILE 50 -5.120 1.778 -5.273
363 HD13 ILE 50 HD13 ILE 50 -3.719 2.149 -4.278
364 H ILE 51 H ILE 51 -9.262 1.536 -0.524
365 HA ILE 51 HA ILE 51 -11.506 0.172 -1.691
366 HB ILE 51 HB ILE 51 -11.479 2.337 0.452
367 HG12 ILE 51 HG12 ILE 51 -11.533 -0.661 0.843
368 HG13 ILE 51 HG13 ILE 51 -10.105 0.344 1.106
369 HG21 ILE 51 HG21 ILE 51 -13.654 1.988 -0.586
370 HG22 ILE 51 HG22 ILE 51 -13.662 1.378 1.071
371 HG23 ILE 51 HG23 ILE 51 -13.537 0.257 -0.280
372 HD11 ILE 51 HD11 ILE 51 -11.320 1.514 2.891
373 HD12 ILE 51 HD12 ILE 51 -11.208 -0.219 3.195
374 HD13 ILE 51 HD13 ILE 51 -12.716 0.477 2.603
375 H ILE 52 H ILE 52 -11.985 0.965 -3.626
376 HA ILE 52 HA ILE 52 -11.880 3.823 -4.157
377 HB ILE 52 HB ILE 52 -12.758 1.553 -5.986
378 HG12 ILE 52 HG12 ILE 52 -10.099 2.990 -5.741
379 HG13 ILE 52 HG13 ILE 52 -10.426 1.318 -5.318
380 HG21 ILE 52 HG21 ILE 52 -13.677 3.716 -6.672
381 HG22 ILE 52 HG22 ILE 52 -12.444 3.166 -7.806
382 HG23 ILE 52 HG23 ILE 52 -12.061 4.425 -6.634
383 HD11 ILE 52 HD11 ILE 52 -10.544 2.490 -8.086
384 HD12 ILE 52 HD12 ILE 52 -10.851 0.806 -7.660
385 HD13 ILE 52 HD13 ILE 52 -9.245 1.494 -7.428
386 H HIS 53 H HIS 53 -14.117 1.356 -3.457
387 HA HIS 53 HA HIS 53 -16.256 3.322 -3.290
388 HB2 HIS 53 HB2 HIS 53 -16.676 1.892 -5.297
389 HB3 HIS 53 HB3 HIS 53 -16.539 0.461 -4.288
390 HD1 HIS 53 HD3 HIS 53 -18.950 3.111 -5.306
391 HD2 HIS 53 HD2 HIS 53 -18.719 0.011 -2.553
392 HE1 HIS 53 HE1 HIS 53 -21.299 2.728 -4.498
Start of MODEL 10
1 H1 GLU 1 1HT GLU 1 -14.995 -2.193 -1.331
2 H2 GLU 1 2HT GLU 1 -16.388 -2.644 -2.117
3 H3 GLU 1 3HT GLU 1 -15.577 -1.259 -2.604
4 HA GLU 1 HA GLU 1 -14.613 -4.081 -2.644
5 HB2 GLU 1 HB2 GLU 1 -15.301 -2.301 -4.986
6 HB3 GLU 1 HB3 GLU 1 -14.693 -3.951 -5.099
7 HG2 GLU 1 HG2 GLU 1 -17.307 -3.040 -3.959
8 HG3 GLU 1 HG3 GLU 1 -17.063 -3.997 -5.424
9 H GLU 2 H GLU 2 -12.603 -4.405 -3.882
10 HA GLU 2 HA GLU 2 -10.708 -2.330 -2.986
11 HB2 GLU 2 HB2 GLU 2 -10.433 -5.310 -3.156
12 HB3 GLU 2 HB3 GLU 2 -9.112 -4.216 -2.789
13 HG2 GLU 2 HG2 GLU 2 -10.124 -3.565 -0.742
14 HG3 GLU 2 HG3 GLU 2 -11.625 -4.395 -1.155
15 H THR 3 H THR 3 -9.013 -1.781 -4.211
16 HA THR 3 HA THR 3 -8.492 -3.171 -6.741
17 HB THR 3 HB THR 3 -8.069 -0.216 -6.128
18 HG1 THR 3 HG1 THR 3 -10.100 -1.646 -7.242
19 HG21 THR 3 HG21 THR 3 -6.346 -1.132 -7.639
20 HG22 THR 3 HG22 THR 3 -7.415 -0.022 -8.495
21 HG23 THR 3 HG23 THR 3 -7.610 -1.761 -8.695
22 H GLU 4 H GLU 4 -6.546 -4.080 -6.716
23 HA GLU 4 HA GLU 4 -4.767 -3.443 -4.517
24 HB2 GLU 4 HB2 GLU 4 -4.728 -5.667 -6.551
25 HB3 GLU 4 HB3 GLU 4 -3.501 -5.433 -5.312
26 HG2 GLU 4 HG2 GLU 4 -5.180 -5.734 -3.577
27 HG3 GLU 4 HG3 GLU 4 -6.421 -5.952 -4.811
28 H GLU 5 H GLU 5 -2.957 -2.391 -4.758
29 HA GLU 5 HA GLU 5 -2.034 -1.732 -7.470
30 HB2 GLU 5 HB2 GLU 5 -3.581 0.005 -6.580
31 HB3 GLU 5 HB3 GLU 5 -2.479 0.242 -5.237
32 HG2 GLU 5 HG2 GLU 5 -2.108 1.964 -6.811
33 HG3 GLU 5 HG3 GLU 5 -0.725 0.870 -6.879
34 HA PRO 6 HA PRO 6 1.766 -2.480 -5.050
35 HB2 PRO 6 HB2 PRO 6 3.177 -2.527 -7.558
36 HB3 PRO 6 HB3 PRO 6 2.887 -3.863 -6.443
37 HG2 PRO 6 HG2 PRO 6 1.744 -3.688 -8.941
38 HG3 PRO 6 HG3 PRO 6 1.035 -4.586 -7.589
39 HD2 PRO 6 HD2 PRO 6 0.340 -1.875 -8.644
40 HD3 PRO 6 HD3 PRO 6 -0.715 -3.160 -8.010
41 H ILE 7 H ILE 7 2.368 -0.634 -4.194
42 HA ILE 7 HA ILE 7 3.120 1.647 -5.917
43 HB ILE 7 HB ILE 7 2.855 3.110 -3.984
44 HG12 ILE 7 HG12 ILE 7 2.104 0.735 -2.307
45 HG13 ILE 7 HG13 ILE 7 3.788 1.247 -2.415
46 HG21 ILE 7 HG21 ILE 7 0.586 2.752 -3.415
47 HG22 ILE 7 HG22 ILE 7 0.613 1.173 -4.216
48 HG23 ILE 7 HG23 ILE 7 0.873 2.652 -5.155
49 HD11 ILE 7 HD11 ILE 7 1.479 2.911 -1.498
50 HD12 ILE 7 HD12 ILE 7 3.169 3.425 -1.626
51 HD13 ILE 7 HD13 ILE 7 2.717 2.160 -0.473
52 H ARG 8 H ARG 8 4.960 2.949 -5.123
53 HA ARG 8 HA ARG 8 7.241 1.279 -4.563
54 HB2 ARG 8 HB2 ARG 8 7.031 4.285 -4.770
55 HB3 ARG 8 HB3 ARG 8 8.516 3.365 -4.688
56 HG2 ARG 8 HG2 ARG 8 7.979 2.353 -6.855
57 HG3 ARG 8 HG3 ARG 8 6.531 3.371 -6.944
58 HD2 ARG 8 HD2 ARG 8 8.005 5.347 -6.631
59 HD3 ARG 8 HD3 ARG 8 9.391 4.278 -6.754
60 HE ARG 8 HE ARG 8 7.837 3.871 -9.002
61 HH11 ARG 8 HH11 ARG 8 9.727 6.471 -7.553
62 HH12 ARG 8 HH12 ARG 8 10.081 7.270 -8.994
63 HH21 ARG 8 HH21 ARG 8 8.281 4.962 -11.048
64 HH22 ARG 8 HH22 ARG 8 9.216 6.384 -11.057
65 H HIS 9 H HIS 9 8.332 1.171 -2.646
66 HA HIS 9 HA HIS 9 7.624 3.011 -0.492
67 HB2 HIS 9 HB2 HIS 9 6.444 0.722 -0.277
68 HB3 HIS 9 HB3 HIS 9 8.052 0.041 -0.055
69 HD1 HIS 9 HD3 HIS 9 9.374 0.967 2.172
70 HD2 HIS 9 HD2 HIS 9 5.308 1.749 1.924
71 HE1 HIS 9 HE1 HIS 9 8.655 1.666 4.472
72 H ALA 10 H ALA 10 9.468 3.479 0.809
73 HA ALA 10 HA ALA 10 11.959 2.905 -0.577
74 HB1 ALA 10 HB1 ALA 10 11.428 4.783 1.719
75 HB2 ALA 10 HB2 ALA 10 11.404 5.215 0.007
76 HB3 ALA 10 HB3 ALA 10 12.906 4.676 0.764
77 H LYS 11 H LYS 11 10.952 0.646 0.794
78 HA LYS 11 HA LYS 11 13.138 0.116 2.596
79 HB2 LYS 11 HB2 LYS 11 11.170 0.975 3.998
80 HB3 LYS 11 HB3 LYS 11 10.261 -0.408 3.429
81 HG2 LYS 11 HG2 LYS 11 11.933 -1.899 4.473
82 HG3 LYS 11 HG3 LYS 11 12.757 -0.476 5.111
83 HD2 LYS 11 HD2 LYS 11 9.907 -1.286 5.716
84 HD3 LYS 11 HD3 LYS 11 11.284 -1.523 6.783
85 HE2 LYS 11 HE2 LYS 11 10.216 1.160 5.860
86 HE3 LYS 11 HE3 LYS 11 9.891 0.414 7.416
87 HZ1 LYS 11 HZ1 LYS 11 12.296 0.535 7.887
88 HZ2 LYS 11 HZ2 LYS 11 11.579 2.031 7.638
89 HZ3 LYS 11 HZ3 LYS 11 12.533 1.371 6.431
90 H LYS 12 H LYS 12 13.593 -2.150 2.472
91 HA LYS 12 HA LYS 12 12.813 -3.242 -0.003
92 HB2 LYS 12 HB2 LYS 12 15.008 -3.655 1.106
93 HB3 LYS 12 HB3 LYS 12 14.189 -4.702 2.261
94 HG2 LYS 12 HG2 LYS 12 13.468 -6.136 0.396
95 HG3 LYS 12 HG3 LYS 12 14.354 -5.107 -0.717
96 HD2 LYS 12 HD2 LYS 12 15.567 -6.763 1.521
97 HD3 LYS 12 HD3 LYS 12 15.578 -7.170 -0.184
98 HE2 LYS 12 HE2 LYS 12 17.714 -6.305 0.177
99 HE3 LYS 12 HE3 LYS 12 16.841 -4.933 -0.489
100 HZ1 LYS 12 HZ1 LYS 12 17.365 -5.392 2.403
101 HZ2 LYS 12 HZ2 LYS 12 16.668 -3.995 1.755
102 HZ3 LYS 12 HZ3 LYS 12 18.256 -4.390 1.413
103 H ASN 13 H ASN 13 11.969 -4.199 3.309
104 HA ASN 13 HA ASN 13 9.533 -5.400 2.231
105 HB2 ASN 13 HB2 ASN 13 11.205 -7.232 2.593
106 HB3 ASN 13 HB3 ASN 13 11.275 -6.784 4.289
107 HD21 ASN 13 HD21 ASN 13 9.528 -8.414 1.852
108 HD22 ASN 13 HD22 ASN 13 8.314 -9.099 2.867
109 HA PRO 14 HA PRO 14 8.538 -2.880 5.865
110 HB2 PRO 14 HB2 PRO 14 6.264 -1.880 4.463
111 HB3 PRO 14 HB3 PRO 14 7.763 -1.027 4.830
112 HG2 PRO 14 HG2 PRO 14 6.940 -1.728 2.292
113 HG3 PRO 14 HG3 PRO 14 8.618 -1.401 2.745
114 HD2 PRO 14 HD2 PRO 14 7.187 -3.998 2.472
115 HD3 PRO 14 HD3 PRO 14 8.840 -3.551 1.946
116 H SER 15 H SER 15 6.846 -3.059 7.347
117 HA SER 15 HA SER 15 5.180 -5.393 7.140
118 HB2 SER 15 HB2 SER 15 5.329 -3.244 9.276
119 HB3 SER 15 HB3 SER 15 4.612 -4.848 9.452
120 HG SER 15 HG SER 15 6.819 -5.584 8.797
121 H GLU 16 H GLU 16 2.754 -5.011 7.866
122 HA GLU 16 HA GLU 16 1.454 -3.581 5.875
123 HB2 GLU 16 HB2 GLU 16 0.405 -4.545 8.523
124 HB3 GLU 16 HB3 GLU 16 -0.616 -3.805 7.303
125 HG2 GLU 16 HG2 GLU 16 0.058 -5.587 5.736
126 HG3 GLU 16 HG3 GLU 16 0.944 -6.367 7.045
127 H GLY 17 H GLY 17 2.360 -2.548 9.094
128 HA2 GLY 17 HA2 GLY 17 0.868 -0.187 9.220
129 HA3 GLY 17 HA3 GLY 17 2.403 -0.455 10.037
130 H GLU 18 H GLU 18 4.192 -0.661 8.081
131 HA GLU 18 HA GLU 18 4.592 2.002 7.262
132 HB2 GLU 18 HB2 GLU 18 5.962 -0.478 6.222
133 HB3 GLU 18 HB3 GLU 18 6.508 1.169 5.963
134 HG2 GLU 18 HG2 GLU 18 6.441 -0.385 8.521
135 HG3 GLU 18 HG3 GLU 18 7.835 0.242 7.662
136 H CYS 19 H CYS 19 3.625 -0.883 5.467
137 HA CYS 19 HA CYS 19 3.472 0.362 2.989
138 HB2 CYS 19 HB2 CYS 19 2.059 -2.074 4.050
139 HB3 CYS 19 HB3 CYS 19 1.899 -1.533 2.387
140 H LYS 20 H LYS 20 0.857 -0.141 5.408
141 HA LYS 20 HA LYS 20 -1.114 1.057 3.827
142 HB2 LYS 20 HB2 LYS 20 -1.681 -0.326 5.769
143 HB3 LYS 20 HB3 LYS 20 -0.980 0.868 6.849
144 HG2 LYS 20 HG2 LYS 20 -2.680 2.484 6.210
145 HG3 LYS 20 HG3 LYS 20 -3.366 1.338 5.064
146 HD2 LYS 20 HD2 LYS 20 -3.189 0.875 8.046
147 HD3 LYS 20 HD3 LYS 20 -4.617 1.494 7.219
148 HE2 LYS 20 HE2 LYS 20 -4.714 -0.583 5.885
149 HE3 LYS 20 HE3 LYS 20 -3.309 -1.191 6.759
150 HZ1 LYS 20 HZ1 LYS 20 -5.913 -0.488 7.994
151 HZ2 LYS 20 HZ2 LYS 20 -4.576 -1.110 8.798
152 HZ3 LYS 20 HZ3 LYS 20 -5.385 -2.053 7.665
153 H LYS 21 H LYS 21 1.175 2.411 6.100
154 HA LYS 21 HA LYS 21 0.215 5.034 6.194
155 HB2 LYS 21 HB2 LYS 21 1.884 4.186 7.741
156 HB3 LYS 21 HB3 LYS 21 3.003 3.917 6.421
157 HG2 LYS 21 HG2 LYS 21 3.334 6.267 6.134
158 HG3 LYS 21 HG3 LYS 21 2.029 6.641 7.260
159 HD2 LYS 21 HD2 LYS 21 4.238 6.907 8.324
160 HD3 LYS 21 HD3 LYS 21 3.288 5.640 9.090
161 HE2 LYS 21 HE2 LYS 21 4.547 3.949 7.785
162 HE3 LYS 21 HE3 LYS 21 5.521 5.247 7.094
163 HZ1 LYS 21 HZ1 LYS 21 5.369 4.613 9.993
164 HZ2 LYS 21 HZ2 LYS 21 6.405 5.725 9.262
165 HZ3 LYS 21 HZ3 LYS 21 6.581 4.068 8.953
166 H ALA 22 H ALA 22 2.589 3.550 4.000
167 HA ALA 22 HA ALA 22 3.015 5.886 2.454
168 HB1 ALA 22 HB1 ALA 22 4.616 4.030 2.522
169 HB2 ALA 22 HB2 ALA 22 4.137 4.419 0.869
170 HB3 ALA 22 HB3 ALA 22 3.453 3.009 1.677
171 H CYS 23 H CYS 23 0.896 3.078 2.029
172 HA CYS 23 HA CYS 23 -0.193 3.731 -0.468
173 HB2 CYS 23 HB2 CYS 23 -1.495 2.310 1.858
174 HB3 CYS 23 HB3 CYS 23 -2.129 2.338 0.218
175 H ALA 24 H ALA 24 -1.158 4.649 2.785
176 HA ALA 24 HA ALA 24 -3.480 6.077 2.195
177 HB1 ALA 24 HB1 ALA 24 -2.778 5.389 4.425
178 HB2 ALA 24 HB2 ALA 24 -3.082 7.128 4.354
179 HB3 ALA 24 HB3 ALA 24 -1.426 6.515 4.347
180 H ASP 25 H ASP 25 -0.200 7.134 2.766
181 HA ASP 25 HA ASP 25 -0.330 9.830 2.328
182 HB2 ASP 25 HB2 ASP 25 1.598 8.688 3.242
183 HB3 ASP 25 HB3 ASP 25 1.870 7.867 1.719
184 H ALA 26 H ALA 26 0.081 7.273 -0.091
185 HA ALA 26 HA ALA 26 0.363 9.237 -2.202
186 HB1 ALA 26 HB1 ALA 26 0.391 6.235 -2.382
187 HB2 ALA 26 HB2 ALA 26 1.808 7.274 -2.201
188 HB3 ALA 26 HB3 ALA 26 0.826 7.366 -3.662
189 H PHE 27 H PHE 27 -2.349 7.701 -0.789
190 HA PHE 27 HA PHE 27 -3.756 8.147 -3.329
191 HB2 PHE 27 HB2 PHE 27 -4.001 5.698 -1.632
192 HB3 PHE 27 HB3 PHE 27 -5.275 6.169 -2.755
193 HD1 PHE 27 HD1 PHE 27 -4.571 6.618 -5.168
194 HD2 PHE 27 HD2 PHE 27 -2.170 4.405 -2.417
195 HE1 PHE 27 HE1 PHE 27 -3.366 5.593 -7.034
196 HE2 PHE 27 HE2 PHE 27 -0.997 3.378 -4.277
197 HZ PHE 27 HZ PHE 27 -1.569 3.974 -6.595
198 H ALA 28 H ALA 28 -3.848 8.606 0.013
199 HA ALA 28 HA ALA 28 -6.444 9.919 -0.326
200 HB1 ALA 28 HB1 ALA 28 -7.089 9.213 1.906
201 HB2 ALA 28 HB2 ALA 28 -5.563 8.358 2.096
202 HB3 ALA 28 HB3 ALA 28 -6.739 7.800 0.911
203 H ASN 29 H ASN 29 -3.504 10.623 -0.290
204 HA ASN 29 HA ASN 29 -2.107 12.208 0.431
205 HB2 ASN 29 HB2 ASN 29 -4.720 13.543 1.131
206 HB3 ASN 29 HB3 ASN 29 -3.170 14.343 1.338
207 HD21 ASN 29 HD21 ASN 29 -2.003 14.914 -0.473
208 HD22 ASN 29 HD22 ASN 29 -2.681 15.011 -2.042
209 H GLY 30 H GLY 30 -3.030 10.116 2.423
210 HA2 GLY 30 HA2 GLY 30 -1.411 10.181 4.416
211 HA3 GLY 30 HA3 GLY 30 -2.337 11.604 4.862
212 H ASP 31 H ASP 31 -4.885 10.354 3.953
213 HA ASP 31 HA ASP 31 -5.494 9.123 6.461
214 HB2 ASP 31 HB2 ASP 31 -7.272 10.401 5.505
215 HB3 ASP 31 HB3 ASP 31 -7.218 9.473 4.005
216 H GLN 32 H GLN 32 -5.659 7.106 7.065
217 HA GLN 32 HA GLN 32 -4.690 5.086 5.185
218 HB2 GLN 32 HB2 GLN 32 -4.996 4.887 8.172
219 HB3 GLN 32 HB3 GLN 32 -4.090 3.810 7.128
220 HG2 GLN 32 HG2 GLN 32 -2.532 5.632 6.614
221 HG3 GLN 32 HG3 GLN 32 -3.439 6.696 7.685
222 HE21 GLN 32 HE21 GLN 32 -0.700 5.980 7.855
223 HE22 GLN 32 HE22 GLN 32 -0.469 5.189 9.376
224 H SER 33 H SER 33 -7.664 6.135 5.883
225 HA SER 33 HA SER 33 -8.845 3.616 6.666
226 HB2 SER 33 HB2 SER 33 -10.177 6.222 5.936
227 HB3 SER 33 HB3 SER 33 -10.909 4.857 6.786
228 HG SER 33 HG SER 33 -9.251 6.851 7.661
229 H LYS 34 H LYS 34 -8.486 5.641 3.871
230 HA LYS 34 HA LYS 34 -10.305 4.345 2.121
231 HB2 LYS 34 HB2 LYS 34 -9.336 6.614 1.818
232 HB3 LYS 34 HB3 LYS 34 -7.788 5.872 1.483
233 HG2 LYS 34 HG2 LYS 34 -8.710 4.817 -0.512
234 HG3 LYS 34 HG3 LYS 34 -10.281 5.553 -0.173
235 HD2 LYS 34 HD2 LYS 34 -9.270 7.767 -0.310
236 HD3 LYS 34 HD3 LYS 34 -7.707 7.027 -0.659
237 HE2 LYS 34 HE2 LYS 34 -8.609 6.065 -2.693
238 HE3 LYS 34 HE3 LYS 34 -10.178 6.796 -2.339
239 HZ1 LYS 34 HZ1 LYS 34 -7.669 8.331 -2.705
240 HZ2 LYS 34 HZ2 LYS 34 -9.216 8.966 -2.514
241 HZ3 LYS 34 HZ3 LYS 34 -8.819 8.128 -3.911
242 H ILE 35 H ILE 35 -7.306 3.452 3.340
243 HA ILE 35 HA ILE 35 -6.852 1.467 1.245
244 HB ILE 35 HB ILE 35 -5.021 2.362 3.499
245 HG12 ILE 35 HG12 ILE 35 -5.290 4.143 1.849
246 HG13 ILE 35 HG13 ILE 35 -3.676 3.458 1.742
247 HG21 ILE 35 HG21 ILE 35 -3.274 1.086 2.345
248 HG22 ILE 35 HG22 ILE 35 -4.461 0.536 1.164
249 HG23 ILE 35 HG23 ILE 35 -4.611 0.051 2.852
250 HD11 ILE 35 HD11 ILE 35 -4.389 2.164 -0.233
251 HD12 ILE 35 HD12 ILE 35 -4.558 3.903 -0.462
252 HD13 ILE 35 HD13 ILE 35 -5.982 2.918 -0.129
253 H ALA 36 H ALA 36 -7.924 -0.300 1.700
254 HA ALA 36 HA ALA 36 -8.965 -0.908 4.257
255 HB1 ALA 36 HB1 ALA 36 -9.746 -2.983 3.236
256 HB2 ALA 36 HB2 ALA 36 -8.717 -2.692 1.834
257 HB3 ALA 36 HB3 ALA 36 -10.065 -1.605 2.179
258 H LYS 37 H LYS 37 -6.217 -2.143 2.412
259 HA LYS 37 HA LYS 37 -5.007 -3.140 4.822
260 HB2 LYS 37 HB2 LYS 37 -6.674 -4.881 3.744
261 HB3 LYS 37 HB3 LYS 37 -5.415 -5.057 2.542
262 HG2 LYS 37 HG2 LYS 37 -3.857 -5.818 4.229
263 HG3 LYS 37 HG3 LYS 37 -5.059 -5.535 5.492
264 HD2 LYS 37 HD2 LYS 37 -6.566 -7.138 4.261
265 HD3 LYS 37 HD3 LYS 37 -5.178 -7.545 3.257
266 HE2 LYS 37 HE2 LYS 37 -5.358 -7.848 6.252
267 HE3 LYS 37 HE3 LYS 37 -5.489 -9.146 5.076
268 HZ1 LYS 37 HZ1 LYS 37 -3.085 -7.481 5.617
269 HZ2 LYS 37 HZ2 LYS 37 -3.189 -8.642 4.383
270 HZ3 LYS 37 HZ3 LYS 37 -3.316 -9.103 5.989
271 H ALA 38 H ALA 38 -2.698 -3.651 4.290
272 HA ALA 38 HA ALA 38 -1.846 -3.248 1.573
273 HB1 ALA 38 HB1 ALA 38 -0.941 -1.367 3.748
274 HB2 ALA 38 HB2 ALA 38 -2.004 -0.949 2.404
275 HB3 ALA 38 HB3 ALA 38 -0.332 -1.413 2.093
276 H GLU 39 H GLU 39 -0.322 -4.662 1.242
277 HA GLU 39 HA GLU 39 1.360 -5.491 3.525
278 HB2 GLU 39 HB2 GLU 39 0.031 -7.331 1.531
279 HB3 GLU 39 HB3 GLU 39 1.304 -7.836 2.631
280 HG2 GLU 39 HG2 GLU 39 -0.099 -7.264 4.529
281 HG3 GLU 39 HG3 GLU 39 -1.377 -6.741 3.433
282 H ASN 40 H ASN 40 3.302 -6.804 2.708
283 HA ASN 40 HA ASN 40 4.575 -5.186 0.734
284 HB2 ASN 40 HB2 ASN 40 5.992 -6.027 2.487
285 HB3 ASN 40 HB3 ASN 40 5.529 -7.689 2.137
286 HD21 ASN 40 HD21 ASN 40 7.275 -4.927 0.907
287 HD22 ASN 40 HD22 ASN 40 8.287 -5.793 -0.178
288 H PHE 41 H PHE 41 4.645 -5.420 -1.336
289 HA PHE 41 HA PHE 41 3.316 -7.721 -2.525
290 HB2 PHE 41 HB2 PHE 41 2.606 -5.438 -3.191
291 HB3 PHE 41 HB3 PHE 41 4.240 -5.103 -3.707
292 HD1 PHE 41 HD1 PHE 41 4.986 -5.645 -5.846
293 HD2 PHE 41 HD2 PHE 41 1.311 -7.262 -4.431
294 HE1 PHE 41 HE1 PHE 41 4.511 -6.481 -8.075
295 HE2 PHE 41 HE2 PHE 41 0.819 -8.107 -6.679
296 HZ PHE 41 HZ PHE 41 2.416 -7.724 -8.514
297 H LYS 42 H LYS 42 6.341 -5.912 -2.609
298 HA LYS 42 HA LYS 42 7.841 -8.140 -3.575
299 HB2 LYS 42 HB2 LYS 42 6.724 -7.231 -5.643
300 HB3 LYS 42 HB3 LYS 42 7.442 -5.673 -5.318
301 HG2 LYS 42 HG2 LYS 42 9.680 -6.717 -5.604
302 HG3 LYS 42 HG3 LYS 42 8.862 -8.209 -6.081
303 HD2 LYS 42 HD2 LYS 42 7.734 -6.985 -7.894
304 HD3 LYS 42 HD3 LYS 42 8.601 -5.522 -7.430
305 HE2 LYS 42 HE2 LYS 42 10.732 -6.723 -7.863
306 HE3 LYS 42 HE3 LYS 42 9.794 -8.091 -8.449
307 HZ1 LYS 42 HZ1 LYS 42 10.485 -6.750 -10.307
308 HZ2 LYS 42 HZ2 LYS 42 9.861 -5.367 -9.620
309 HZ3 LYS 42 HZ3 LYS 42 8.815 -6.567 -10.137
310 H ASP 43 H ASP 43 10.160 -7.251 -3.818
311 HA ASP 43 HA ASP 43 11.066 -5.819 -1.637
312 HB2 ASP 43 HB2 ASP 43 12.304 -6.013 -4.392
313 HB3 ASP 43 HB3 ASP 43 13.145 -5.502 -2.934
314 H TYR 44 H TYR 44 10.621 -3.797 -1.124
315 HA TYR 44 HA TYR 44 10.418 -1.555 -1.169
316 HB2 TYR 44 HB2 TYR 44 11.618 -1.793 -3.932
317 HB3 TYR 44 HB3 TYR 44 11.205 -0.257 -3.190
318 HD1 TYR 44 HD1 TYR 44 13.471 -3.131 -3.078
319 HD2 TYR 44 HD2 TYR 44 12.528 0.661 -1.439
320 HE1 TYR 44 HE1 TYR 44 15.676 -3.061 -2.020
321 HE2 TYR 44 HE2 TYR 44 14.721 0.767 -0.365
322 HH TYR 44 HH TYR 44 17.232 -1.406 -1.181
323 H TYR 45 H TYR 45 8.320 -3.449 -2.308
324 HA TYR 45 HA TYR 45 6.603 -1.287 -3.273
325 HB2 TYR 45 HB2 TYR 45 6.815 -4.017 -4.555
326 HB3 TYR 45 HB3 TYR 45 5.509 -2.895 -4.865
327 HD1 TYR 45 HD1 TYR 45 8.746 -3.944 -5.885
328 HD2 TYR 45 HD2 TYR 45 6.179 -0.575 -5.747
329 HE1 TYR 45 HE1 TYR 45 10.049 -2.894 -7.675
330 HE2 TYR 45 HE2 TYR 45 7.465 0.501 -7.530
331 HH TYR 45 HH TYR 45 9.818 0.337 -8.454
332 H CYS 46 H CYS 46 4.649 -1.290 -2.551
333 HA CYS 46 HA CYS 46 3.853 -3.522 -0.811
334 HB2 CYS 46 HB2 CYS 46 3.282 -0.577 -0.430
335 HB3 CYS 46 HB3 CYS 46 2.514 -1.863 0.494
336 H ASN 47 H ASN 47 1.797 -4.242 -0.915
337 HA ASN 47 HA ASN 47 0.330 -3.531 -3.330
338 HB2 ASN 47 HB2 ASN 47 0.801 -5.960 -2.762
339 HB3 ASN 47 HB3 ASN 47 -0.188 -5.737 -1.325
340 HD21 ASN 47 HD21 ASN 47 -1.689 -7.216 -1.943
341 HD22 ASN 47 HD22 ASN 47 -2.800 -6.961 -3.233
342 H CYS 48 H CYS 48 -0.949 -1.893 -2.973
343 HA CYS 48 HA CYS 48 -2.167 -1.466 -0.379
344 HB2 CYS 48 HB2 CYS 48 -2.336 0.231 -2.884
345 HB3 CYS 48 HB3 CYS 48 -2.770 0.667 -1.230
346 H HIS 49 H HIS 49 -4.298 -1.698 -0.023
347 HA HIS 49 HA HIS 49 -5.898 -2.695 -2.245
348 HB2 HIS 49 HB2 HIS 49 -6.214 -3.095 0.750
349 HB3 HIS 49 HB3 HIS 49 -7.359 -3.665 -0.458
350 HD1 HIS 49 HD3 HIS 49 -7.067 -6.031 -0.974
351 HD2 HIS 49 HD2 HIS 49 -3.489 -4.289 0.166
352 HE1 HIS 49 HE1 HIS 49 -5.347 -7.908 -0.952
353 H ILE 50 H ILE 50 -6.614 -0.907 -3.032
354 HA ILE 50 HA ILE 50 -7.381 1.292 -1.300
355 HB ILE 50 HB ILE 50 -7.559 1.262 -4.316
356 HG12 ILE 50 HG12 ILE 50 -5.116 2.005 -2.681
357 HG13 ILE 50 HG13 ILE 50 -5.273 0.504 -3.584
358 HG21 ILE 50 HG21 ILE 50 -8.581 3.126 -3.081
359 HG22 ILE 50 HG22 ILE 50 -7.152 3.680 -3.979
360 HG23 ILE 50 HG23 ILE 50 -7.047 3.372 -2.240
361 HD11 ILE 50 HD11 ILE 50 -5.301 3.278 -4.742
362 HD12 ILE 50 HD12 ILE 50 -5.460 1.779 -5.656
363 HD13 ILE 50 HD13 ILE 50 -3.959 2.136 -4.800
364 H ILE 51 H ILE 51 -9.438 1.787 -0.896
365 HA ILE 51 HA ILE 51 -11.503 0.026 -1.770
366 HB ILE 51 HB ILE 51 -11.627 2.593 -0.157
367 HG12 ILE 51 HG12 ILE 51 -11.748 -0.303 0.725
368 HG13 ILE 51 HG13 ILE 51 -10.349 0.747 0.888
369 HG21 ILE 51 HG21 ILE 51 -13.883 1.858 0.500
370 HG22 ILE 51 HG22 ILE 51 -13.762 0.503 -0.622
371 HG23 ILE 51 HG23 ILE 51 -13.770 2.156 -1.234
372 HD11 ILE 51 HD11 ILE 51 -11.549 0.518 2.982
373 HD12 ILE 51 HD12 ILE 51 -13.015 1.143 2.224
374 HD13 ILE 51 HD13 ILE 51 -11.602 2.181 2.401
375 H ILE 52 H ILE 52 -12.504 0.197 -3.586
376 HA ILE 52 HA ILE 52 -12.270 2.393 -5.436
377 HB ILE 52 HB ILE 52 -14.363 0.207 -5.486
378 HG12 ILE 52 HG12 ILE 52 -11.582 0.110 -6.673
379 HG13 ILE 52 HG13 ILE 52 -12.123 -0.799 -5.271
380 HG21 ILE 52 HG21 ILE 52 -14.312 0.565 -7.921
381 HG22 ILE 52 HG22 ILE 52 -13.145 1.867 -7.691
382 HG23 ILE 52 HG23 ILE 52 -14.775 2.020 -7.036
383 HD11 ILE 52 HD11 ILE 52 -12.077 -2.192 -7.256
384 HD12 ILE 52 HD12 ILE 52 -13.179 -1.085 -8.074
385 HD13 ILE 52 HD13 ILE 52 -13.730 -2.001 -6.670
386 H HIS 53 H HIS 53 -14.867 0.965 -3.551
387 HA HIS 53 HA HIS 53 -16.289 3.358 -3.124
388 HB2 HIS 53 HB2 HIS 53 -17.009 2.716 -5.445
389 HB3 HIS 53 HB3 HIS 53 -17.380 1.104 -4.862
390 HD1 HIS 53 HD3 HIS 53 -18.817 4.482 -5.226
391 HD2 HIS 53 HD2 HIS 53 -19.661 0.986 -3.162
392 HE1 HIS 53 HE1 HIS 53 -21.219 4.670 -4.528
Start of MODEL 11
1 H1 GLU 1 1HT GLU 1 -15.851 -4.587 -2.709
2 H2 GLU 1 2HT GLU 1 -15.503 -2.958 -2.852
3 H3 GLU 1 3HT GLU 1 -14.694 -3.896 -1.698
4 HA GLU 1 HA GLU 1 -13.677 -5.209 -3.410
5 HB2 GLU 1 HB2 GLU 1 -14.944 -3.146 -5.214
6 HB3 GLU 1 HB3 GLU 1 -13.734 -4.312 -5.729
7 HG2 GLU 1 HG2 GLU 1 -15.239 -6.133 -5.158
8 HG3 GLU 1 HG3 GLU 1 -16.444 -4.961 -4.631
9 H GLU 2 H GLU 2 -11.600 -4.664 -4.009
10 HA GLU 2 HA GLU 2 -10.662 -2.020 -3.051
11 HB2 GLU 2 HB2 GLU 2 -9.338 -4.710 -2.765
12 HB3 GLU 2 HB3 GLU 2 -8.736 -3.178 -2.150
13 HG2 GLU 2 HG2 GLU 2 -10.350 -3.081 -0.479
14 HG3 GLU 2 HG3 GLU 2 -11.390 -4.258 -1.286
15 H THR 3 H THR 3 -9.136 -1.037 -4.317
16 HA THR 3 HA THR 3 -8.265 -2.257 -6.798
17 HB THR 3 HB THR 3 -7.450 0.403 -5.597
18 HG1 THR 3 HG1 THR 3 -9.530 0.103 -7.484
19 HG21 THR 3 HG21 THR 3 -7.102 1.032 -7.944
20 HG22 THR 3 HG22 THR 3 -7.608 -0.582 -8.446
21 HG23 THR 3 HG23 THR 3 -6.137 -0.377 -7.505
22 H GLU 4 H GLU 4 -6.505 -3.564 -6.608
23 HA GLU 4 HA GLU 4 -4.706 -3.213 -4.362
24 HB2 GLU 4 HB2 GLU 4 -4.815 -5.349 -6.488
25 HB3 GLU 4 HB3 GLU 4 -3.679 -5.333 -5.147
26 HG2 GLU 4 HG2 GLU 4 -5.525 -5.468 -3.567
27 HG3 GLU 4 HG3 GLU 4 -6.674 -5.455 -4.903
28 H GLU 5 H GLU 5 -3.554 -1.506 -4.731
29 HA GLU 5 HA GLU 5 -2.182 -1.098 -7.287
30 HB2 GLU 5 HB2 GLU 5 -2.660 0.684 -4.922
31 HB3 GLU 5 HB3 GLU 5 -1.621 1.136 -6.257
32 HG2 GLU 5 HG2 GLU 5 -4.549 0.472 -6.463
33 HG3 GLU 5 HG3 GLU 5 -3.867 2.098 -6.420
34 HA PRO 6 HA PRO 6 1.551 -2.332 -5.039
35 HB2 PRO 6 HB2 PRO 6 2.886 -2.405 -7.584
36 HB3 PRO 6 HB3 PRO 6 2.478 -3.761 -6.535
37 HG2 PRO 6 HG2 PRO 6 1.313 -3.329 -8.994
38 HG3 PRO 6 HG3 PRO 6 0.546 -4.229 -7.677
39 HD2 PRO 6 HD2 PRO 6 0.101 -1.405 -8.552
40 HD3 PRO 6 HD3 PRO 6 -1.063 -2.618 -7.967
41 H ILE 7 H ILE 7 2.313 -0.579 -4.147
42 HA ILE 7 HA ILE 7 3.181 1.730 -5.781
43 HB ILE 7 HB ILE 7 2.958 3.119 -3.788
44 HG12 ILE 7 HG12 ILE 7 2.225 0.683 -2.189
45 HG13 ILE 7 HG13 ILE 7 3.906 1.199 -2.305
46 HG21 ILE 7 HG21 ILE 7 0.678 1.228 -4.023
47 HG22 ILE 7 HG22 ILE 7 0.918 2.756 -4.891
48 HG23 ILE 7 HG23 ILE 7 0.704 2.740 -3.128
49 HD11 ILE 7 HD11 ILE 7 3.294 3.347 -1.414
50 HD12 ILE 7 HD12 ILE 7 2.866 2.030 -0.308
51 HD13 ILE 7 HD13 ILE 7 1.612 2.825 -1.285
52 H ARG 8 H ARG 8 5.131 2.837 -4.924
53 HA ARG 8 HA ARG 8 7.208 0.877 -4.335
54 HB2 ARG 8 HB2 ARG 8 7.464 3.860 -4.758
55 HB3 ARG 8 HB3 ARG 8 8.761 2.679 -4.672
56 HG2 ARG 8 HG2 ARG 8 8.026 1.654 -6.698
57 HG3 ARG 8 HG3 ARG 8 6.689 2.813 -6.833
58 HD2 ARG 8 HD2 ARG 8 8.573 3.497 -8.208
59 HD3 ARG 8 HD3 ARG 8 8.319 4.631 -6.877
60 HE ARG 8 HE ARG 8 10.289 2.486 -6.624
61 HH11 ARG 8 HH11 ARG 8 9.602 5.960 -6.762
62 HH12 ARG 8 HH12 ARG 8 11.153 6.435 -6.254
63 HH21 ARG 8 HH21 ARG 8 12.435 3.133 -5.982
64 HH22 ARG 8 HH22 ARG 8 12.817 4.777 -5.806
65 H HIS 9 H HIS 9 8.482 0.965 -2.483
66 HA HIS 9 HA HIS 9 7.846 2.941 -0.454
67 HB2 HIS 9 HB2 HIS 9 6.431 0.888 -0.027
68 HB3 HIS 9 HB3 HIS 9 7.918 -0.044 0.114
69 HD1 HIS 9 HD3 HIS 9 8.942 -0.120 2.422
70 HD2 HIS 9 HD2 HIS 9 6.158 2.912 1.990
71 HE1 HIS 9 HE1 HIS 9 8.747 0.978 4.685
72 H ALA 10 H ALA 10 9.597 3.093 1.118
73 HA ALA 10 HA ALA 10 12.146 2.783 -0.169
74 HB1 ALA 10 HB1 ALA 10 11.584 4.812 1.033
75 HB2 ALA 10 HB2 ALA 10 13.015 4.025 1.718
76 HB3 ALA 10 HB3 ALA 10 11.459 3.888 2.532
77 H LYS 11 H LYS 11 10.525 0.487 1.372
78 HA LYS 11 HA LYS 11 12.958 -0.614 2.541
79 HB2 LYS 11 HB2 LYS 11 10.179 -0.784 3.723
80 HB3 LYS 11 HB3 LYS 11 11.513 -1.801 4.235
81 HG2 LYS 11 HG2 LYS 11 11.462 1.209 4.406
82 HG3 LYS 11 HG3 LYS 11 11.130 0.112 5.746
83 HD2 LYS 11 HD2 LYS 11 13.396 -0.816 5.528
84 HD3 LYS 11 HD3 LYS 11 13.718 0.297 4.201
85 HE2 LYS 11 HE2 LYS 11 13.340 2.188 5.723
86 HE3 LYS 11 HE3 LYS 11 13.072 1.050 7.044
87 HZ1 LYS 11 HZ1 LYS 11 15.361 0.263 6.765
88 HZ2 LYS 11 HZ2 LYS 11 15.344 1.934 7.018
89 HZ3 LYS 11 HZ3 LYS 11 15.575 1.334 5.487
90 H LYS 12 H LYS 12 13.425 -2.558 2.015
91 HA LYS 12 HA LYS 12 12.525 -3.844 -0.249
92 HB2 LYS 12 HB2 LYS 12 14.678 -4.277 0.719
93 HB3 LYS 12 HB3 LYS 12 13.961 -4.859 2.203
94 HG2 LYS 12 HG2 LYS 12 13.061 -6.794 0.953
95 HG3 LYS 12 HG3 LYS 12 13.935 -6.222 -0.477
96 HD2 LYS 12 HD2 LYS 12 16.031 -6.376 0.682
97 HD3 LYS 12 HD3 LYS 12 15.223 -6.808 2.186
98 HE2 LYS 12 HE2 LYS 12 16.176 -8.780 1.158
99 HE3 LYS 12 HE3 LYS 12 14.419 -8.878 1.123
100 HZ1 LYS 12 HZ1 LYS 12 15.460 -9.562 -0.961
101 HZ2 LYS 12 HZ2 LYS 12 16.093 -8.008 -1.168
102 HZ3 LYS 12 HZ3 LYS 12 14.427 -8.261 -1.177
103 H ASN 13 H ASN 13 11.860 -4.626 3.108
104 HA ASN 13 HA ASN 13 9.377 -5.940 2.313
105 HB2 ASN 13 HB2 ASN 13 11.446 -7.168 4.181
106 HB3 ASN 13 HB3 ASN 13 9.794 -7.729 4.061
107 HD21 ASN 13 HD21 ASN 13 9.621 -7.431 1.174
108 HD22 ASN 13 HD22 ASN 13 10.596 -8.683 0.508
109 HA PRO 14 HA PRO 14 8.544 -3.227 5.815
110 HB2 PRO 14 HB2 PRO 14 6.431 -1.986 4.490
111 HB3 PRO 14 HB3 PRO 14 8.088 -1.390 4.556
112 HG2 PRO 14 HG2 PRO 14 6.709 -2.323 2.258
113 HG3 PRO 14 HG3 PRO 14 8.421 -1.906 2.375
114 HD2 PRO 14 HD2 PRO 14 7.106 -4.565 2.477
115 HD3 PRO 14 HD3 PRO 14 8.724 -4.103 1.891
116 H SER 15 H SER 15 6.488 -2.900 7.024
117 HA SER 15 HA SER 15 4.722 -5.178 6.622
118 HB2 SER 15 HB2 SER 15 6.070 -5.087 8.757
119 HB3 SER 15 HB3 SER 15 5.209 -3.609 9.172
120 HG SER 15 HG SER 15 4.168 -6.195 8.764
121 H GLU 16 H GLU 16 2.527 -4.435 7.900
122 HA GLU 16 HA GLU 16 1.365 -2.748 5.998
123 HB2 GLU 16 HB2 GLU 16 0.205 -3.831 8.515
124 HB3 GLU 16 HB3 GLU 16 -0.696 -2.826 7.392
125 HG2 GLU 16 HG2 GLU 16 0.035 -4.532 5.627
126 HG3 GLU 16 HG3 GLU 16 0.386 -5.562 7.020
127 H GLY 17 H GLY 17 2.644 -1.908 9.098
128 HA2 GLY 17 HA2 GLY 17 1.182 0.489 9.408
129 HA3 GLY 17 HA3 GLY 17 2.775 0.170 10.097
130 H GLU 18 H GLU 18 4.400 -0.092 8.149
131 HA GLU 18 HA GLU 18 4.854 2.476 7.136
132 HB2 GLU 18 HB2 GLU 18 6.027 -0.085 6.069
133 HB3 GLU 18 HB3 GLU 18 6.700 1.522 5.903
134 HG2 GLU 18 HG2 GLU 18 8.011 0.625 7.555
135 HG3 GLU 18 HG3 GLU 18 6.776 1.447 8.501
136 H CYS 19 H CYS 19 3.732 -0.510 5.536
137 HA CYS 19 HA CYS 19 3.499 0.674 3.030
138 HB2 CYS 19 HB2 CYS 19 2.076 -1.773 4.101
139 HB3 CYS 19 HB3 CYS 19 1.954 -1.209 2.449
140 H LYS 20 H LYS 20 0.882 0.230 5.520
141 HA LYS 20 HA LYS 20 -1.070 1.395 3.894
142 HB2 LYS 20 HB2 LYS 20 -0.904 1.295 6.900
143 HB3 LYS 20 HB3 LYS 20 -2.220 2.079 6.065
144 HG2 LYS 20 HG2 LYS 20 -2.680 -0.185 4.985
145 HG3 LYS 20 HG3 LYS 20 -1.562 -0.851 6.192
146 HD2 LYS 20 HD2 LYS 20 -2.880 0.187 7.985
147 HD3 LYS 20 HD3 LYS 20 -3.974 0.852 6.791
148 HE2 LYS 20 HE2 LYS 20 -5.025 -1.048 7.779
149 HE3 LYS 20 HE3 LYS 20 -4.575 -1.473 6.133
150 HZ1 LYS 20 HZ1 LYS 20 -2.828 -2.864 6.931
151 HZ2 LYS 20 HZ2 LYS 20 -4.125 -3.164 7.925
152 HZ3 LYS 20 HZ3 LYS 20 -2.893 -2.167 8.468
153 H LYS 21 H LYS 21 1.246 2.847 6.139
154 HA LYS 21 HA LYS 21 0.261 5.455 6.075
155 HB2 LYS 21 HB2 LYS 21 1.947 4.802 7.675
156 HB3 LYS 21 HB3 LYS 21 3.088 4.430 6.395
157 HG2 LYS 21 HG2 LYS 21 3.665 6.525 7.476
158 HG3 LYS 21 HG3 LYS 21 3.190 6.808 5.801
159 HD2 LYS 21 HD2 LYS 21 0.969 7.498 6.572
160 HD3 LYS 21 HD3 LYS 21 1.471 7.234 8.245
161 HE2 LYS 21 HE2 LYS 21 3.263 8.906 7.917
162 HE3 LYS 21 HE3 LYS 21 2.668 9.180 6.286
163 HZ1 LYS 21 HZ1 LYS 21 1.100 9.691 8.769
164 HZ2 LYS 21 HZ2 LYS 21 0.592 10.001 7.188
165 HZ3 LYS 21 HZ3 LYS 21 1.855 10.860 7.829
166 H ALA 22 H ALA 22 2.702 3.903 4.016
167 HA ALA 22 HA ALA 22 3.137 6.128 2.354
168 HB1 ALA 22 HB1 ALA 22 4.208 4.540 0.832
169 HB2 ALA 22 HB2 ALA 22 3.506 3.198 1.738
170 HB3 ALA 22 HB3 ALA 22 4.689 4.257 2.507
171 H CYS 23 H CYS 23 1.026 3.300 2.003
172 HA CYS 23 HA CYS 23 -0.139 3.829 -0.471
173 HB2 CYS 23 HB2 CYS 23 -1.470 2.660 1.983
174 HB3 CYS 23 HB3 CYS 23 -2.096 2.566 0.347
175 H ALA 24 H ALA 24 -1.054 4.965 2.729
176 HA ALA 24 HA ALA 24 -3.357 6.359 1.931
177 HB1 ALA 24 HB1 ALA 24 -3.219 7.391 4.127
178 HB2 ALA 24 HB2 ALA 24 -1.584 6.757 4.326
179 HB3 ALA 24 HB3 ALA 24 -2.955 5.650 4.208
180 H ASP 25 H ASP 25 -0.110 7.473 2.797
181 HA ASP 25 HA ASP 25 -0.558 10.192 2.400
182 HB2 ASP 25 HB2 ASP 25 1.352 9.184 3.635
183 HB3 ASP 25 HB3 ASP 25 2.065 8.736 2.092
184 H ALA 26 H ALA 26 0.497 7.742 0.109
185 HA ALA 26 HA ALA 26 1.049 9.635 -1.956
186 HB1 ALA 26 HB1 ALA 26 2.178 7.463 -1.830
187 HB2 ALA 26 HB2 ALA 26 1.394 7.725 -3.389
188 HB3 ALA 26 HB3 ALA 26 0.650 6.662 -2.192
189 H PHE 27 H PHE 27 -1.867 8.038 -0.910
190 HA PHE 27 HA PHE 27 -3.068 8.687 -3.515
191 HB2 PHE 27 HB2 PHE 27 -3.708 6.477 -1.607
192 HB3 PHE 27 HB3 PHE 27 -4.849 6.987 -2.845
193 HD1 PHE 27 HD1 PHE 27 -4.075 6.991 -5.225
194 HD2 PHE 27 HD2 PHE 27 -1.922 4.958 -2.156
195 HE1 PHE 27 HE1 PHE 27 -2.983 5.612 -6.899
196 HE2 PHE 27 HE2 PHE 27 -0.861 3.576 -3.822
197 HZ PHE 27 HZ PHE 27 -1.360 3.883 -6.214
198 H ALA 28 H ALA 28 -3.761 8.722 -0.063
199 HA ALA 28 HA ALA 28 -5.941 10.633 -0.582
200 HB1 ALA 28 HB1 ALA 28 -6.684 8.459 0.340
201 HB2 ALA 28 HB2 ALA 28 -7.025 9.814 1.409
202 HB3 ALA 28 HB3 ALA 28 -5.665 8.737 1.756
203 H ASN 29 H ASN 29 -2.947 10.666 0.036
204 HA ASN 29 HA ASN 29 -1.436 12.026 0.936
205 HB2 ASN 29 HB2 ASN 29 -3.799 13.871 1.293
206 HB3 ASN 29 HB3 ASN 29 -2.125 14.357 1.525
207 HD21 ASN 29 HD21 ASN 29 -4.044 15.358 -0.378
208 HD22 ASN 29 HD22 ASN 29 -3.377 15.067 -1.943
209 H GLY 30 H GLY 30 -2.963 10.208 2.734
210 HA2 GLY 30 HA2 GLY 30 -1.585 10.066 4.924
211 HA3 GLY 30 HA3 GLY 30 -2.439 11.557 5.297
212 H ASP 31 H ASP 31 -4.866 10.551 3.917
213 HA ASP 31 HA ASP 31 -6.000 9.299 6.194
214 HB2 ASP 31 HB2 ASP 31 -7.424 10.704 4.868
215 HB3 ASP 31 HB3 ASP 31 -7.176 9.681 3.448
216 H GLN 32 H GLN 32 -5.932 7.279 6.782
217 HA GLN 32 HA GLN 32 -5.177 5.243 4.850
218 HB2 GLN 32 HB2 GLN 32 -5.475 5.040 7.847
219 HB3 GLN 32 HB3 GLN 32 -4.768 3.834 6.786
220 HG2 GLN 32 HG2 GLN 32 -2.965 5.398 6.229
221 HG3 GLN 32 HG3 GLN 32 -3.665 6.584 7.331
222 HE21 GLN 32 HE21 GLN 32 -1.911 3.689 7.017
223 HE22 GLN 32 HE22 GLN 32 -1.461 3.491 8.677
224 H SER 33 H SER 33 -8.056 6.533 5.639
225 HA SER 33 HA SER 33 -9.538 4.263 6.510
226 HB2 SER 33 HB2 SER 33 -10.572 6.767 5.181
227 HB3 SER 33 HB3 SER 33 -11.467 5.667 6.232
228 HG SER 33 HG SER 33 -9.643 7.641 6.805
229 H LYS 34 H LYS 34 -8.768 5.722 3.440
230 HA LYS 34 HA LYS 34 -10.521 4.049 1.908
231 HB2 LYS 34 HB2 LYS 34 -8.136 5.669 1.007
232 HB3 LYS 34 HB3 LYS 34 -9.329 4.933 -0.054
233 HG2 LYS 34 HG2 LYS 34 -11.068 6.338 0.946
234 HG3 LYS 34 HG3 LYS 34 -9.851 7.093 1.974
235 HD2 LYS 34 HD2 LYS 34 -8.668 7.859 -0.050
236 HD3 LYS 34 HD3 LYS 34 -9.949 7.157 -1.038
237 HE2 LYS 34 HE2 LYS 34 -11.583 8.622 0.047
238 HE3 LYS 34 HE3 LYS 34 -10.296 9.328 1.022
239 HZ1 LYS 34 HZ1 LYS 34 -10.522 9.478 -1.938
240 HZ2 LYS 34 HZ2 LYS 34 -9.245 10.083 -1.023
241 HZ3 LYS 34 HZ3 LYS 34 -10.753 10.741 -0.838
242 H ILE 35 H ILE 35 -7.591 3.518 3.427
243 HA ILE 35 HA ILE 35 -6.793 1.395 1.588
244 HB ILE 35 HB ILE 35 -5.370 2.402 4.076
245 HG12 ILE 35 HG12 ILE 35 -5.444 4.200 2.434
246 HG13 ILE 35 HG13 ILE 35 -3.812 3.556 2.524
247 HG21 ILE 35 HG21 ILE 35 -3.409 1.220 3.177
248 HG22 ILE 35 HG22 ILE 35 -4.391 0.625 1.841
249 HG23 ILE 35 HG23 ILE 35 -4.754 0.120 3.490
250 HD11 ILE 35 HD11 ILE 35 -4.416 4.018 0.230
251 HD12 ILE 35 HD12 ILE 35 -5.848 3.002 0.374
252 HD13 ILE 35 HD13 ILE 35 -4.245 2.275 0.456
253 H ALA 36 H ALA 36 -7.745 -0.463 1.957
254 HA ALA 36 HA ALA 36 -8.964 -1.049 4.498
255 HB1 ALA 36 HB1 ALA 36 -8.776 -2.750 2.017
256 HB2 ALA 36 HB2 ALA 36 -10.093 -1.644 2.412
257 HB3 ALA 36 HB3 ALA 36 -9.801 -3.065 3.416
258 H LYS 37 H LYS 37 -6.231 -2.269 2.614
259 HA LYS 37 HA LYS 37 -4.986 -3.283 4.989
260 HB2 LYS 37 HB2 LYS 37 -6.653 -5.098 4.130
261 HB3 LYS 37 HB3 LYS 37 -5.546 -5.274 2.778
262 HG2 LYS 37 HG2 LYS 37 -3.750 -5.886 4.325
263 HG3 LYS 37 HG3 LYS 37 -4.848 -5.687 5.685
264 HD2 LYS 37 HD2 LYS 37 -4.988 -7.967 5.400
265 HD3 LYS 37 HD3 LYS 37 -6.282 -7.444 4.337
266 HE2 LYS 37 HE2 LYS 37 -3.467 -8.082 3.441
267 HE3 LYS 37 HE3 LYS 37 -4.812 -9.202 3.371
268 HZ1 LYS 37 HZ1 LYS 37 -4.675 -6.625 1.876
269 HZ2 LYS 37 HZ2 LYS 37 -5.890 -7.788 1.762
270 HZ3 LYS 37 HZ3 LYS 37 -4.336 -8.139 1.258
271 H ALA 38 H ALA 38 -2.792 -4.206 4.329
272 HA ALA 38 HA ALA 38 -1.951 -3.427 1.665
273 HB1 ALA 38 HB1 ALA 38 -0.551 -2.624 4.222
274 HB2 ALA 38 HB2 ALA 38 -1.389 -1.544 3.102
275 HB3 ALA 38 HB3 ALA 38 0.071 -2.389 2.586
276 H GLU 39 H GLU 39 -0.106 -4.584 1.011
277 HA GLU 39 HA GLU 39 0.827 -6.766 2.714
278 HB2 GLU 39 HB2 GLU 39 -0.426 -7.131 -0.015
279 HB3 GLU 39 HB3 GLU 39 0.587 -8.348 0.743
280 HG2 GLU 39 HG2 GLU 39 -0.998 -8.565 2.562
281 HG3 GLU 39 HG3 GLU 39 -1.982 -7.275 1.880
282 H ASN 40 H ASN 40 2.811 -7.675 1.926
283 HA ASN 40 HA ASN 40 4.446 -5.721 0.570
284 HB2 ASN 40 HB2 ASN 40 5.433 -7.086 2.373
285 HB3 ASN 40 HB3 ASN 40 5.098 -8.549 1.458
286 HD21 ASN 40 HD21 ASN 40 6.419 -5.469 0.164
287 HD22 ASN 40 HD22 ASN 40 7.900 -6.152 -0.332
288 H PHE 41 H PHE 41 4.391 -5.541 -1.560
289 HA PHE 41 HA PHE 41 3.256 -7.673 -3.144
290 HB2 PHE 41 HB2 PHE 41 2.625 -5.327 -3.611
291 HB3 PHE 41 HB3 PHE 41 4.300 -4.961 -3.972
292 HD1 PHE 41 HD1 PHE 41 5.220 -5.353 -6.093
293 HD2 PHE 41 HD2 PHE 41 1.398 -6.970 -5.117
294 HE1 PHE 41 HE1 PHE 41 4.924 -6.013 -8.410
295 HE2 PHE 41 HE2 PHE 41 1.085 -7.631 -7.454
296 HZ PHE 41 HZ PHE 41 2.843 -7.158 -9.115
297 H LYS 42 H LYS 42 6.329 -5.947 -2.910
298 HA LYS 42 HA LYS 42 7.810 -8.139 -3.965
299 HB2 LYS 42 HB2 LYS 42 6.734 -7.070 -5.992
300 HB3 LYS 42 HB3 LYS 42 7.528 -5.572 -5.588
301 HG2 LYS 42 HG2 LYS 42 8.662 -6.655 -7.391
302 HG3 LYS 42 HG3 LYS 42 9.692 -6.651 -5.968
303 HD2 LYS 42 HD2 LYS 42 9.235 -8.955 -5.541
304 HD3 LYS 42 HD3 LYS 42 7.965 -8.987 -6.761
305 HE2 LYS 42 HE2 LYS 42 10.887 -8.485 -7.337
306 HE3 LYS 42 HE3 LYS 42 10.083 -10.041 -7.522
307 HZ1 LYS 42 HZ1 LYS 42 8.642 -9.093 -9.199
308 HZ2 LYS 42 HZ2 LYS 42 10.236 -8.802 -9.635
309 HZ3 LYS 42 HZ3 LYS 42 9.310 -7.564 -8.995
310 H ASP 43 H ASP 43 10.190 -7.175 -4.161
311 HA ASP 43 HA ASP 43 10.859 -5.972 -1.725
312 HB2 ASP 43 HB2 ASP 43 12.486 -6.023 -4.290
313 HB3 ASP 43 HB3 ASP 43 13.115 -5.696 -2.684
314 H TYR 44 H TYR 44 10.530 -3.969 -1.139
315 HA TYR 44 HA TYR 44 10.381 -1.722 -1.094
316 HB2 TYR 44 HB2 TYR 44 11.719 -1.854 -3.816
317 HB3 TYR 44 HB3 TYR 44 11.347 -0.346 -2.987
318 HD1 TYR 44 HD1 TYR 44 12.622 0.361 -1.087
319 HD2 TYR 44 HD2 TYR 44 13.473 -3.334 -2.983
320 HE1 TYR 44 HE1 TYR 44 14.738 0.239 0.141
321 HE2 TYR 44 HE2 TYR 44 15.587 -3.489 -1.768
322 HH TYR 44 HH TYR 44 16.330 -1.513 0.879
323 H TYR 45 H TYR 45 8.318 -3.510 -2.224
324 HA TYR 45 HA TYR 45 6.629 -1.368 -3.271
325 HB2 TYR 45 HB2 TYR 45 6.848 -4.139 -4.436
326 HB3 TYR 45 HB3 TYR 45 5.527 -3.040 -4.785
327 HD1 TYR 45 HD1 TYR 45 8.871 -4.022 -5.682
328 HD2 TYR 45 HD2 TYR 45 6.077 -0.845 -5.867
329 HE1 TYR 45 HE1 TYR 45 10.150 -3.039 -7.515
330 HE2 TYR 45 HE2 TYR 45 7.349 0.168 -7.726
331 HH TYR 45 HH TYR 45 9.885 0.047 -8.500
332 H CYS 46 H CYS 46 4.681 -1.323 -2.536
333 HA CYS 46 HA CYS 46 3.780 -3.480 -0.733
334 HB2 CYS 46 HB2 CYS 46 3.265 -0.502 -0.453
335 HB3 CYS 46 HB3 CYS 46 2.519 -1.748 0.540
336 H ASN 47 H ASN 47 1.742 -4.195 -1.022
337 HA ASN 47 HA ASN 47 0.303 -3.140 -3.334
338 HB2 ASN 47 HB2 ASN 47 0.738 -5.605 -3.275
339 HB3 ASN 47 HB3 ASN 47 -0.142 -5.693 -1.753
340 HD21 ASN 47 HD21 ASN 47 -2.383 -5.696 -1.792
341 HD22 ASN 47 HD22 ASN 47 -3.260 -5.755 -3.259
342 H CYS 48 H CYS 48 -1.028 -1.654 -2.865
343 HA CYS 48 HA CYS 48 -2.156 -1.403 -0.201
344 HB2 CYS 48 HB2 CYS 48 -2.344 0.446 -2.578
345 HB3 CYS 48 HB3 CYS 48 -2.724 0.788 -0.887
346 H HIS 49 H HIS 49 -4.320 -1.612 0.206
347 HA HIS 49 HA HIS 49 -5.957 -2.413 -2.072
348 HB2 HIS 49 HB2 HIS 49 -6.294 -2.984 0.882
349 HB3 HIS 49 HB3 HIS 49 -7.444 -3.452 -0.365
350 HD1 HIS 49 HD3 HIS 49 -7.095 -5.764 -1.289
351 HD2 HIS 49 HD2 HIS 49 -3.672 -4.158 0.427
352 HE1 HIS 49 HE1 HIS 49 -5.355 -7.553 -1.418
353 H ILE 50 H ILE 50 -6.611 -0.551 -2.757
354 HA ILE 50 HA ILE 50 -7.614 1.396 -0.833
355 HB ILE 50 HB ILE 50 -7.499 1.792 -3.828
356 HG12 ILE 50 HG12 ILE 50 -5.248 2.342 -1.870
357 HG13 ILE 50 HG13 ILE 50 -5.259 1.006 -3.015
358 HG21 ILE 50 HG21 ILE 50 -7.244 3.587 -1.434
359 HG22 ILE 50 HG22 ILE 50 -8.708 3.407 -2.411
360 HG23 ILE 50 HG23 ILE 50 -7.251 4.145 -3.109
361 HD11 ILE 50 HD11 ILE 50 -3.911 2.834 -3.833
362 HD12 ILE 50 HD12 ILE 50 -5.285 3.931 -3.698
363 HD13 ILE 50 HD13 ILE 50 -5.326 2.605 -4.858
364 H ILE 51 H ILE 51 -9.666 1.292 -0.390
365 HA ILE 51 HA ILE 51 -11.476 -0.487 -1.569
366 HB ILE 51 HB ILE 51 -12.098 1.980 0.091
367 HG12 ILE 51 HG12 ILE 51 -11.723 -0.905 0.933
368 HG13 ILE 51 HG13 ILE 51 -10.543 0.378 1.171
369 HG21 ILE 51 HG21 ILE 51 -14.209 0.828 0.646
370 HG22 ILE 51 HG22 ILE 51 -13.788 -0.471 -0.471
371 HG23 ILE 51 HG23 ILE 51 -14.087 1.156 -1.083
372 HD11 ILE 51 HD11 ILE 51 -11.772 -0.108 3.211
373 HD12 ILE 51 HD12 ILE 51 -13.292 0.263 2.391
374 HD13 ILE 51 HD13 ILE 51 -12.095 1.533 2.650
375 H ILE 52 H ILE 52 -12.662 -0.382 -3.325
376 HA ILE 52 HA ILE 52 -12.740 2.034 -4.955
377 HB ILE 52 HB ILE 52 -14.159 -0.602 -5.461
378 HG12 ILE 52 HG12 ILE 52 -11.419 0.199 -6.459
379 HG13 ILE 52 HG13 ILE 52 -11.719 -0.981 -5.190
380 HG21 ILE 52 HG21 ILE 52 -14.102 0.106 -7.813
381 HG22 ILE 52 HG22 ILE 52 -13.317 1.609 -7.338
382 HG23 ILE 52 HG23 ILE 52 -14.961 1.263 -6.796
383 HD11 ILE 52 HD11 ILE 52 -12.899 -2.399 -6.796
384 HD12 ILE 52 HD12 ILE 52 -11.245 -2.067 -7.307
385 HD13 ILE 52 HD13 ILE 52 -12.591 -1.213 -8.064
386 H HIS 53 H HIS 53 -14.969 -0.377 -3.731
387 HA HIS 53 HA HIS 53 -16.836 1.394 -2.650
388 HB2 HIS 53 HB2 HIS 53 -17.279 1.523 -5.178
389 HB3 HIS 53 HB3 HIS 53 -17.633 -0.196 -5.123
390 HD1 HIS 53 HD3 HIS 53 -19.410 2.771 -5.374
391 HD2 HIS 53 HD2 HIS 53 -19.743 -0.509 -2.845
392 HE1 HIS 53 HE1 HIS 53 -21.759 2.827 -4.472
Start of MODEL 12
1 H1 GLU 1 1HT GLU 1 -14.702 -3.839 -2.852
2 H2 GLU 1 2HT GLU 1 -16.000 -3.665 -3.892
3 H3 GLU 1 3HT GLU 1 -15.464 -2.329 -2.997
4 HA GLU 1 HA GLU 1 -14.048 -3.777 -5.155
5 HB2 GLU 1 HB2 GLU 1 -15.105 -0.973 -4.960
6 HB3 GLU 1 HB3 GLU 1 -14.030 -1.525 -6.237
7 HG2 GLU 1 HG2 GLU 1 -16.801 -2.511 -5.652
8 HG3 GLU 1 HG3 GLU 1 -16.234 -1.496 -6.999
9 H GLU 2 H GLU 2 -12.030 -3.542 -5.339
10 HA GLU 2 HA GLU 2 -10.502 -1.761 -3.562
11 HB2 GLU 2 HB2 GLU 2 -10.081 -4.733 -3.843
12 HB3 GLU 2 HB3 GLU 2 -8.935 -3.640 -3.103
13 HG2 GLU 2 HG2 GLU 2 -10.316 -3.267 -1.261
14 HG3 GLU 2 HG3 GLU 2 -11.733 -3.942 -2.065
15 H THR 3 H THR 3 -9.068 -0.757 -4.762
16 HA THR 3 HA THR 3 -8.130 -1.918 -7.258
17 HB THR 3 HB THR 3 -7.298 0.639 -5.903
18 HG1 THR 3 HG1 THR 3 -9.542 0.011 -7.489
19 HG21 THR 3 HG21 THR 3 -5.853 -0.130 -7.739
20 HG22 THR 3 HG22 THR 3 -6.675 1.370 -8.154
21 HG23 THR 3 HG23 THR 3 -7.249 -0.158 -8.819
22 H GLU 4 H GLU 4 -6.614 -3.459 -6.816
23 HA GLU 4 HA GLU 4 -4.845 -3.013 -4.576
24 HB2 GLU 4 HB2 GLU 4 -5.239 -5.436 -6.316
25 HB3 GLU 4 HB3 GLU 4 -3.971 -5.317 -5.102
26 HG2 GLU 4 HG2 GLU 4 -5.716 -4.937 -3.385
27 HG3 GLU 4 HG3 GLU 4 -6.942 -5.213 -4.623
28 H GLU 5 H GLU 5 -3.393 -1.692 -4.949
29 HA GLU 5 HA GLU 5 -1.951 -1.782 -7.511
30 HB2 GLU 5 HB2 GLU 5 -3.309 0.246 -7.149
31 HB3 GLU 5 HB3 GLU 5 -2.399 0.573 -5.683
32 HG2 GLU 5 HG2 GLU 5 -1.550 1.963 -7.417
33 HG3 GLU 5 HG3 GLU 5 -0.344 0.726 -7.069
34 HA PRO 6 HA PRO 6 1.614 -2.591 -4.801
35 HB2 PRO 6 HB2 PRO 6 2.997 -2.732 -7.379
36 HB3 PRO 6 HB3 PRO 6 2.897 -3.946 -6.101
37 HG2 PRO 6 HG2 PRO 6 1.615 -4.242 -8.462
38 HG3 PRO 6 HG3 PRO 6 0.958 -4.867 -6.939
39 HD2 PRO 6 HD2 PRO 6 0.189 -2.421 -8.472
40 HD3 PRO 6 HD3 PRO 6 -0.821 -3.564 -7.569
41 H ILE 7 H ILE 7 2.228 -0.740 -3.993
42 HA ILE 7 HA ILE 7 3.036 1.521 -5.696
43 HB ILE 7 HB ILE 7 2.887 2.911 -3.679
44 HG12 ILE 7 HG12 ILE 7 2.118 0.463 -2.144
45 HG13 ILE 7 HG13 ILE 7 3.810 0.969 -2.222
46 HG21 ILE 7 HG21 ILE 7 0.590 1.042 -3.930
47 HG22 ILE 7 HG22 ILE 7 0.861 2.549 -4.823
48 HG23 ILE 7 HG23 ILE 7 0.623 2.573 -3.060
49 HD11 ILE 7 HD11 ILE 7 2.731 1.759 -0.224
50 HD12 ILE 7 HD12 ILE 7 1.502 2.573 -1.214
51 HD13 ILE 7 HD13 ILE 7 3.190 3.094 -1.287
52 H ARG 8 H ARG 8 4.947 2.721 -4.967
53 HA ARG 8 HA ARG 8 7.165 0.904 -4.470
54 HB2 ARG 8 HB2 ARG 8 7.187 3.854 -5.180
55 HB3 ARG 8 HB3 ARG 8 8.554 2.745 -5.181
56 HG2 ARG 8 HG2 ARG 8 7.666 1.514 -6.988
57 HG3 ARG 8 HG3 ARG 8 6.176 2.464 -6.980
58 HD2 ARG 8 HD2 ARG 8 7.478 4.459 -7.548
59 HD3 ARG 8 HD3 ARG 8 8.953 3.490 -7.547
60 HE ARG 8 HE ARG 8 7.238 2.231 -9.250
61 HH11 ARG 8 HH11 ARG 8 8.678 5.464 -9.153
62 HH12 ARG 8 HH12 ARG 8 8.727 5.643 -10.842
63 HH21 ARG 8 HH21 ARG 8 7.295 2.476 -11.545
64 HH22 ARG 8 HH22 ARG 8 7.894 3.916 -12.237
65 H HIS 9 H HIS 9 7.961 0.724 -2.473
66 HA HIS 9 HA HIS 9 7.496 2.923 -0.559
67 HB2 HIS 9 HB2 HIS 9 6.259 0.741 -0.082
68 HB3 HIS 9 HB3 HIS 9 7.830 -0.019 0.123
69 HD1 HIS 9 HD3 HIS 9 9.294 0.985 2.227
70 HD2 HIS 9 HD2 HIS 9 5.265 1.950 2.110
71 HE1 HIS 9 HE1 HIS 9 8.712 1.861 4.523
72 H ALA 10 H ALA 10 9.287 3.537 0.672
73 HA ALA 10 HA ALA 10 11.831 2.699 -0.438
74 HB1 ALA 10 HB1 ALA 10 12.794 4.612 0.723
75 HB2 ALA 10 HB2 ALA 10 11.261 4.913 1.538
76 HB3 ALA 10 HB3 ALA 10 11.383 5.110 -0.212
77 H LYS 11 H LYS 11 11.366 0.582 0.571
78 HA LYS 11 HA LYS 11 13.123 0.088 2.694
79 HB2 LYS 11 HB2 LYS 11 11.088 0.924 3.976
80 HB3 LYS 11 HB3 LYS 11 10.168 -0.376 3.251
81 HG2 LYS 11 HG2 LYS 11 10.765 -0.960 5.499
82 HG3 LYS 11 HG3 LYS 11 11.648 -2.001 4.381
83 HD2 LYS 11 HD2 LYS 11 13.647 -0.692 4.665
84 HD3 LYS 11 HD3 LYS 11 12.778 0.492 5.645
85 HE2 LYS 11 HE2 LYS 11 12.355 -1.214 7.324
86 HE3 LYS 11 HE3 LYS 11 13.213 -2.411 6.371
87 HZ1 LYS 11 HZ1 LYS 11 14.366 0.058 7.529
88 HZ2 LYS 11 HZ2 LYS 11 15.223 -1.057 6.604
89 HZ3 LYS 11 HZ3 LYS 11 14.600 -1.504 8.105
90 H LYS 12 H LYS 12 13.802 -1.963 2.242
91 HA LYS 12 HA LYS 12 12.901 -3.274 -0.047
92 HB2 LYS 12 HB2 LYS 12 15.162 -3.556 0.795
93 HB3 LYS 12 HB3 LYS 12 14.568 -4.301 2.262
94 HG2 LYS 12 HG2 LYS 12 13.784 -6.211 0.990
95 HG3 LYS 12 HG3 LYS 12 14.347 -5.456 -0.504
96 HD2 LYS 12 HD2 LYS 12 16.635 -5.500 0.308
97 HD3 LYS 12 HD3 LYS 12 16.082 -6.141 1.856
98 HE2 LYS 12 HE2 LYS 12 15.323 -8.166 0.791
99 HE3 LYS 12 HE3 LYS 12 15.750 -7.524 -0.791
100 HZ1 LYS 12 HZ1 LYS 12 17.428 -9.065 0.081
101 HZ2 LYS 12 HZ2 LYS 12 17.659 -8.089 1.412
102 HZ3 LYS 12 HZ3 LYS 12 18.079 -7.524 -0.120
103 H ASN 13 H ASN 13 12.405 -4.091 3.344
104 HA ASN 13 HA ASN 13 9.975 -5.502 2.516
105 HB2 ASN 13 HB2 ASN 13 11.840 -7.122 3.138
106 HB3 ASN 13 HB3 ASN 13 11.767 -6.447 4.756
107 HD21 ASN 13 HD21 ASN 13 10.128 -8.351 2.397
108 HD22 ASN 13 HD22 ASN 13 8.951 -9.045 3.450
109 HA PRO 14 HA PRO 14 8.839 -2.499 5.699
110 HB2 PRO 14 HB2 PRO 14 6.505 -1.864 4.225
111 HB3 PRO 14 HB3 PRO 14 7.973 -0.900 4.356
112 HG2 PRO 14 HG2 PRO 14 7.042 -2.154 2.042
113 HG3 PRO 14 HG3 PRO 14 8.675 -1.527 2.289
114 HD2 PRO 14 HD2 PRO 14 7.654 -4.309 2.507
115 HD3 PRO 14 HD3 PRO 14 9.239 -3.718 1.943
116 H SER 15 H SER 15 7.164 -2.504 7.118
117 HA SER 15 HA SER 15 5.703 -4.970 7.435
118 HB2 SER 15 HB2 SER 15 5.559 -2.446 9.068
119 HB3 SER 15 HB3 SER 15 5.247 -4.108 9.585
120 HG SER 15 HG SER 15 7.691 -2.861 8.958
121 H GLU 16 H GLU 16 3.237 -4.672 8.021
122 HA GLU 16 HA GLU 16 2.042 -3.471 5.781
123 HB2 GLU 16 HB2 GLU 16 1.038 -5.411 7.058
124 HB3 GLU 16 HB3 GLU 16 0.542 -4.245 8.285
125 HG2 GLU 16 HG2 GLU 16 -0.722 -3.014 6.579
126 HG3 GLU 16 HG3 GLU 16 -0.266 -4.219 5.391
127 H GLY 17 H GLY 17 2.498 -2.333 9.087
128 HA2 GLY 17 HA2 GLY 17 0.838 -0.072 8.965
129 HA3 GLY 17 HA3 GLY 17 2.264 -0.226 9.986
130 H GLU 18 H GLU 18 4.192 -0.512 8.049
131 HA GLU 18 HA GLU 18 4.734 2.149 7.298
132 HB2 GLU 18 HB2 GLU 18 5.969 -0.407 6.237
133 HB3 GLU 18 HB3 GLU 18 6.665 1.202 6.109
134 HG2 GLU 18 HG2 GLU 18 6.848 1.305 8.556
135 HG3 GLU 18 HG3 GLU 18 6.165 -0.311 8.659
136 H CYS 19 H CYS 19 3.739 -0.706 5.448
137 HA CYS 19 HA CYS 19 3.453 0.513 2.978
138 HB2 CYS 19 HB2 CYS 19 1.967 -1.804 4.180
139 HB3 CYS 19 HB3 CYS 19 1.780 -1.330 2.504
140 H LYS 20 H LYS 20 1.031 0.171 5.604
141 HA LYS 20 HA LYS 20 -1.108 1.291 4.258
142 HB2 LYS 20 HB2 LYS 20 -0.465 1.449 7.209
143 HB3 LYS 20 HB3 LYS 20 -1.974 2.021 6.527
144 HG2 LYS 20 HG2 LYS 20 -2.500 -0.259 5.800
145 HG3 LYS 20 HG3 LYS 20 -0.966 -0.815 6.478
146 HD2 LYS 20 HD2 LYS 20 -1.673 -0.026 8.699
147 HD3 LYS 20 HD3 LYS 20 -3.228 0.467 8.029
148 HE2 LYS 20 HE2 LYS 20 -2.147 -2.348 8.005
149 HE3 LYS 20 HE3 LYS 20 -3.269 -1.736 9.202
150 HZ1 LYS 20 HZ1 LYS 20 -4.003 -1.541 6.358
151 HZ2 LYS 20 HZ2 LYS 20 -4.999 -1.792 7.721
152 HZ3 LYS 20 HZ3 LYS 20 -4.015 -3.022 7.144
153 H LYS 21 H LYS 21 1.404 2.844 6.181
154 HA LYS 21 HA LYS 21 0.500 5.475 6.081
155 HB2 LYS 21 HB2 LYS 21 2.319 4.713 7.535
156 HB3 LYS 21 HB3 LYS 21 3.340 4.438 6.138
157 HG2 LYS 21 HG2 LYS 21 3.968 6.494 7.271
158 HG3 LYS 21 HG3 LYS 21 3.336 6.840 5.662
159 HD2 LYS 21 HD2 LYS 21 1.197 7.466 6.608
160 HD3 LYS 21 HD3 LYS 21 1.763 7.062 8.229
161 HE2 LYS 21 HE2 LYS 21 1.847 9.469 7.872
162 HE3 LYS 21 HE3 LYS 21 3.475 8.816 8.044
163 HZ1 LYS 21 HZ1 LYS 21 2.152 9.531 5.480
164 HZ2 LYS 21 HZ2 LYS 21 3.729 8.924 5.633
165 HZ3 LYS 21 HZ3 LYS 21 3.340 10.427 6.261
166 H ALA 22 H ALA 22 2.693 3.756 3.887
167 HA ALA 22 HA ALA 22 3.003 5.943 2.116
168 HB1 ALA 22 HB1 ALA 22 4.624 4.121 2.257
169 HB2 ALA 22 HB2 ALA 22 4.041 4.341 0.605
170 HB3 ALA 22 HB3 ALA 22 3.426 3.012 1.588
171 H CYS 23 H CYS 23 0.885 3.083 2.010
172 HA CYS 23 HA CYS 23 -0.351 3.512 -0.463
173 HB2 CYS 23 HB2 CYS 23 -1.578 2.352 2.054
174 HB3 CYS 23 HB3 CYS 23 -2.259 2.211 0.445
175 H ALA 24 H ALA 24 -1.121 4.747 2.737
176 HA ALA 24 HA ALA 24 -3.460 6.111 1.997
177 HB1 ALA 24 HB1 ALA 24 -1.550 6.660 4.257
178 HB2 ALA 24 HB2 ALA 24 -2.909 5.539 4.299
179 HB3 ALA 24 HB3 ALA 24 -3.199 7.271 4.119
180 H ASP 25 H ASP 25 -0.137 7.189 2.519
181 HA ASP 25 HA ASP 25 -0.413 9.891 2.060
182 HB2 ASP 25 HB2 ASP 25 1.649 8.821 2.891
183 HB3 ASP 25 HB3 ASP 25 1.955 8.191 1.277
184 H ALA 26 H ALA 26 0.351 7.410 -0.345
185 HA ALA 26 HA ALA 26 0.497 9.285 -2.483
186 HB1 ALA 26 HB1 ALA 26 0.255 6.292 -2.614
187 HB2 ALA 26 HB2 ALA 26 1.764 7.193 -2.473
188 HB3 ALA 26 HB3 ALA 26 0.766 7.363 -3.917
189 H PHE 27 H PHE 27 -2.209 7.707 -1.010
190 HA PHE 27 HA PHE 27 -3.641 8.191 -3.513
191 HB2 PHE 27 HB2 PHE 27 -4.020 5.886 -1.633
192 HB3 PHE 27 HB3 PHE 27 -5.216 6.315 -2.858
193 HD1 PHE 27 HD1 PHE 27 -2.144 4.492 -2.243
194 HD2 PHE 27 HD2 PHE 27 -4.405 6.517 -5.240
195 HE1 PHE 27 HE1 PHE 27 -0.917 3.331 -3.955
196 HE2 PHE 27 HE2 PHE 27 -3.141 5.352 -6.978
197 HZ PHE 27 HZ PHE 27 -1.373 3.742 -6.337
198 H ALA 28 H ALA 28 -3.975 8.338 -0.054
199 HA ALA 28 HA ALA 28 -6.320 10.051 -0.488
200 HB1 ALA 28 HB1 ALA 28 -6.888 7.916 0.581
201 HB2 ALA 28 HB2 ALA 28 -7.182 9.299 1.630
202 HB3 ALA 28 HB3 ALA 28 -5.759 8.283 1.889
203 H ASN 29 H ASN 29 -3.256 10.306 -0.064
204 HA ASN 29 HA ASN 29 -1.802 11.795 0.764
205 HB2 ASN 29 HB2 ASN 29 -4.317 13.442 1.018
206 HB3 ASN 29 HB3 ASN 29 -2.716 14.093 1.358
207 HD21 ASN 29 HD21 ASN 29 -4.878 12.958 -1.130
208 HD22 ASN 29 HD22 ASN 29 -3.934 13.526 -2.447
209 H GLY 30 H GLY 30 -2.991 9.889 2.617
210 HA2 GLY 30 HA2 GLY 30 -1.646 9.869 4.765
211 HA3 GLY 30 HA3 GLY 30 -2.471 11.377 5.116
212 H ASP 31 H ASP 31 -4.994 10.263 3.906
213 HA ASP 31 HA ASP 31 -5.972 9.145 6.345
214 HB2 ASP 31 HB2 ASP 31 -7.474 10.497 4.964
215 HB3 ASP 31 HB3 ASP 31 -7.363 9.313 3.664
216 H GLN 32 H GLN 32 -5.760 7.179 6.992
217 HA GLN 32 HA GLN 32 -4.952 5.127 5.099
218 HB2 GLN 32 HB2 GLN 32 -5.148 4.987 8.091
219 HB3 GLN 32 HB3 GLN 32 -4.376 3.807 7.043
220 HG2 GLN 32 HG2 GLN 32 -2.739 5.538 6.392
221 HG3 GLN 32 HG3 GLN 32 -3.498 6.636 7.546
222 HE21 GLN 32 HE21 GLN 32 -0.821 5.665 7.497
223 HE22 GLN 32 HE22 GLN 32 -0.551 4.821 8.980
224 H SER 33 H SER 33 -7.895 6.182 6.011
225 HA SER 33 HA SER 33 -9.013 3.563 6.553
226 HB2 SER 33 HB2 SER 33 -10.323 6.280 6.379
227 HB3 SER 33 HB3 SER 33 -11.115 4.787 6.894
228 HG SER 33 HG SER 33 -10.178 6.321 8.513
229 H LYS 34 H LYS 34 -8.488 5.733 3.995
230 HA LYS 34 HA LYS 34 -10.423 4.741 2.148
231 HB2 LYS 34 HB2 LYS 34 -9.174 6.954 2.077
232 HB3 LYS 34 HB3 LYS 34 -7.762 6.051 1.574
233 HG2 LYS 34 HG2 LYS 34 -8.786 7.058 -0.348
234 HG3 LYS 34 HG3 LYS 34 -8.992 5.302 -0.414
235 HD2 LYS 34 HD2 LYS 34 -11.276 5.458 0.270
236 HD3 LYS 34 HD3 LYS 34 -11.105 7.173 0.656
237 HE2 LYS 34 HE2 LYS 34 -12.297 6.821 -1.457
238 HE3 LYS 34 HE3 LYS 34 -10.786 7.689 -1.699
239 HZ1 LYS 34 HZ1 LYS 34 -11.213 4.788 -2.187
240 HZ2 LYS 34 HZ2 LYS 34 -9.776 5.639 -2.496
241 HZ3 LYS 34 HZ3 LYS 34 -11.141 5.975 -3.362
242 H ILE 35 H ILE 35 -7.627 3.521 3.464
243 HA ILE 35 HA ILE 35 -7.163 1.575 1.306
244 HB ILE 35 HB ILE 35 -5.348 2.293 3.637
245 HG12 ILE 35 HG12 ILE 35 -5.479 4.176 2.076
246 HG13 ILE 35 HG13 ILE 35 -3.895 3.419 1.995
247 HG21 ILE 35 HG21 ILE 35 -3.628 1.000 2.456
248 HG22 ILE 35 HG22 ILE 35 -4.808 0.569 1.221
249 HG23 ILE 35 HG23 ILE 35 -5.023 0.004 2.875
250 HD11 ILE 35 HD11 ILE 35 -6.145 3.070 0.026
251 HD12 ILE 35 HD12 ILE 35 -4.576 2.273 -0.071
252 HD13 ILE 35 HD13 ILE 35 -4.684 4.028 -0.214
253 H ALA 36 H ALA 36 -7.844 -0.434 1.736
254 HA ALA 36 HA ALA 36 -9.137 -1.026 4.231
255 HB1 ALA 36 HB1 ALA 36 -10.014 -1.850 2.090
256 HB2 ALA 36 HB2 ALA 36 -9.679 -3.170 3.203
257 HB3 ALA 36 HB3 ALA 36 -8.564 -2.831 1.879
258 H LYS 37 H LYS 37 -6.442 -2.484 2.484
259 HA LYS 37 HA LYS 37 -5.060 -3.078 4.935
260 HB2 LYS 37 HB2 LYS 37 -6.604 -5.050 4.544
261 HB3 LYS 37 HB3 LYS 37 -5.856 -5.267 2.973
262 HG2 LYS 37 HG2 LYS 37 -3.699 -5.689 4.078
263 HG3 LYS 37 HG3 LYS 37 -4.483 -5.520 5.643
264 HD2 LYS 37 HD2 LYS 37 -5.890 -7.440 5.149
265 HD3 LYS 37 HD3 LYS 37 -5.145 -7.596 3.557
266 HE2 LYS 37 HE2 LYS 37 -3.717 -7.838 6.213
267 HE3 LYS 37 HE3 LYS 37 -4.168 -9.172 5.156
268 HZ1 LYS 37 HZ1 LYS 37 -1.816 -8.514 4.949
269 HZ2 LYS 37 HZ2 LYS 37 -2.270 -7.002 4.373
270 HZ3 LYS 37 HZ3 LYS 37 -2.669 -8.392 3.508
271 H ALA 38 H ALA 38 -2.875 -3.958 4.305
272 HA ALA 38 HA ALA 38 -2.159 -3.591 1.516
273 HB1 ALA 38 HB1 ALA 38 -0.698 -2.320 3.842
274 HB2 ALA 38 HB2 ALA 38 -1.619 -1.477 2.586
275 HB3 ALA 38 HB3 ALA 38 -0.151 -2.356 2.160
276 H GLU 39 H GLU 39 -0.075 -4.664 1.119
277 HA GLU 39 HA GLU 39 1.065 -6.261 3.242
278 HB2 GLU 39 HB2 GLU 39 -0.830 -7.691 2.454
279 HB3 GLU 39 HB3 GLU 39 -0.166 -7.649 0.825
280 HG2 GLU 39 HG2 GLU 39 1.800 -8.856 1.569
281 HG3 GLU 39 HG3 GLU 39 1.226 -8.809 3.232
282 H ASN 40 H ASN 40 3.153 -7.073 2.615
283 HA ASN 40 HA ASN 40 4.428 -5.471 0.683
284 HB2 ASN 40 HB2 ASN 40 5.764 -6.295 2.514
285 HB3 ASN 40 HB3 ASN 40 5.408 -7.967 2.080
286 HD21 ASN 40 HD21 ASN 40 7.022 -5.066 1.007
287 HD22 ASN 40 HD22 ASN 40 8.156 -5.853 -0.031
288 H PHE 41 H PHE 41 4.498 -5.632 -1.363
289 HA PHE 41 HA PHE 41 3.294 -7.910 -2.692
290 HB2 PHE 41 HB2 PHE 41 2.590 -5.691 -3.386
291 HB3 PHE 41 HB3 PHE 41 4.251 -5.219 -3.675
292 HD1 PHE 41 HD1 PHE 41 1.513 -7.392 -4.904
293 HD2 PHE 41 HD2 PHE 41 5.314 -5.653 -5.729
294 HE1 PHE 41 HE1 PHE 41 1.329 -8.077 -7.261
295 HE2 PHE 41 HE2 PHE 41 5.147 -6.334 -8.049
296 HZ PHE 41 HZ PHE 41 3.136 -7.549 -8.837
297 H LYS 42 H LYS 42 6.358 -6.140 -2.642
298 HA LYS 42 HA LYS 42 7.861 -8.403 -3.473
299 HB2 LYS 42 HB2 LYS 42 6.781 -7.374 -5.617
300 HB3 LYS 42 HB3 LYS 42 7.786 -5.976 -5.311
301 HG2 LYS 42 HG2 LYS 42 8.823 -7.307 -6.990
302 HG3 LYS 42 HG3 LYS 42 9.781 -7.461 -5.522
303 HD2 LYS 42 HD2 LYS 42 8.653 -9.612 -5.043
304 HD3 LYS 42 HD3 LYS 42 7.725 -9.437 -6.531
305 HE2 LYS 42 HE2 LYS 42 10.730 -9.676 -6.331
306 HE3 LYS 42 HE3 LYS 42 9.623 -10.959 -6.800
307 HZ1 LYS 42 HZ1 LYS 42 10.030 -8.424 -8.305
308 HZ2 LYS 42 HZ2 LYS 42 9.013 -9.677 -8.765
309 HZ3 LYS 42 HZ3 LYS 42 10.667 -9.916 -8.726
310 H ASP 43 H ASP 43 10.244 -7.393 -3.674
311 HA ASP 43 HA ASP 43 10.803 -5.927 -1.359
312 HB2 ASP 43 HB2 ASP 43 12.483 -6.117 -3.878
313 HB3 ASP 43 HB3 ASP 43 13.062 -5.660 -2.282
314 H TYR 44 H TYR 44 10.626 -3.844 -0.942
315 HA TYR 44 HA TYR 44 10.315 -1.614 -1.124
316 HB2 TYR 44 HB2 TYR 44 11.516 -1.996 -3.884
317 HB3 TYR 44 HB3 TYR 44 11.094 -0.424 -3.218
318 HD1 TYR 44 HD1 TYR 44 13.440 -3.227 -3.062
319 HD2 TYR 44 HD2 TYR 44 12.378 0.540 -1.420
320 HE1 TYR 44 HE1 TYR 44 15.621 -3.102 -1.963
321 HE2 TYR 44 HE2 TYR 44 14.560 0.688 -0.315
322 HH TYR 44 HH TYR 44 17.139 -1.291 -1.064
323 H TYR 45 H TYR 45 8.247 -3.630 -2.155
324 HA TYR 45 HA TYR 45 6.480 -1.576 -3.266
325 HB2 TYR 45 HB2 TYR 45 6.808 -4.375 -4.339
326 HB3 TYR 45 HB3 TYR 45 5.415 -3.368 -4.688
327 HD1 TYR 45 HD1 TYR 45 8.775 -4.198 -5.640
328 HD2 TYR 45 HD2 TYR 45 5.818 -1.161 -5.861
329 HE1 TYR 45 HE1 TYR 45 9.941 -3.216 -7.543
330 HE2 TYR 45 HE2 TYR 45 6.974 -0.161 -7.761
331 HH TYR 45 HH TYR 45 9.372 -1.758 -9.493
332 H CYS 46 H CYS 46 4.509 -1.545 -2.531
333 HA CYS 46 HA CYS 46 3.655 -3.721 -0.735
334 HB2 CYS 46 HB2 CYS 46 3.129 -0.756 -0.416
335 HB3 CYS 46 HB3 CYS 46 2.374 -2.009 0.562
336 H ASN 47 H ASN 47 1.716 -4.581 -1.149
337 HA ASN 47 HA ASN 47 0.199 -3.597 -3.421
338 HB2 ASN 47 HB2 ASN 47 0.607 -6.044 -3.190
339 HB3 ASN 47 HB3 ASN 47 -0.201 -6.020 -1.629
340 HD21 ASN 47 HD21 ASN 47 -2.458 -5.940 -1.567
341 HD22 ASN 47 HD22 ASN 47 -3.427 -6.204 -2.953
342 H CYS 48 H CYS 48 -1.087 -1.979 -2.970
343 HA CYS 48 HA CYS 48 -2.257 -1.719 -0.318
344 HB2 CYS 48 HB2 CYS 48 -2.272 0.181 -2.662
345 HB3 CYS 48 HB3 CYS 48 -2.767 0.531 -1.008
346 H HIS 49 H HIS 49 -4.405 -1.856 0.038
347 HA HIS 49 HA HIS 49 -6.089 -2.648 -2.217
348 HB2 HIS 49 HB2 HIS 49 -6.489 -2.973 0.774
349 HB3 HIS 49 HB3 HIS 49 -7.654 -3.453 -0.447
350 HD1 HIS 49 HD3 HIS 49 -7.642 -5.870 -0.695
351 HD2 HIS 49 HD2 HIS 49 -3.860 -4.403 0.161
352 HE1 HIS 49 HE1 HIS 49 -6.108 -7.898 -0.633
353 H ILE 50 H ILE 50 -6.582 -0.698 -2.979
354 HA ILE 50 HA ILE 50 -7.290 1.425 -1.151
355 HB ILE 50 HB ILE 50 -7.506 1.583 -4.158
356 HG12 ILE 50 HG12 ILE 50 -4.981 2.099 -2.567
357 HG13 ILE 50 HG13 ILE 50 -5.259 0.608 -3.459
358 HG21 ILE 50 HG21 ILE 50 -8.354 3.414 -2.750
359 HG22 ILE 50 HG22 ILE 50 -6.916 3.927 -3.661
360 HG23 ILE 50 HG23 ILE 50 -6.778 3.484 -1.956
361 HD11 ILE 50 HD11 ILE 50 -5.143 3.373 -4.631
362 HD12 ILE 50 HD12 ILE 50 -5.401 1.876 -5.530
363 HD13 ILE 50 HD13 ILE 50 -3.871 2.155 -4.699
364 H ILE 51 H ILE 51 -9.325 1.766 -0.550
365 HA ILE 51 HA ILE 51 -11.384 0.034 -1.548
366 HB ILE 51 HB ILE 51 -11.579 2.318 0.428
367 HG12 ILE 51 HG12 ILE 51 -11.298 -0.638 0.960
368 HG13 ILE 51 HG13 ILE 51 -9.988 0.530 1.120
369 HG21 ILE 51 HG21 ILE 51 -13.435 0.003 -0.140
370 HG22 ILE 51 HG22 ILE 51 -13.736 1.696 -0.527
371 HG23 ILE 51 HG23 ILE 51 -13.638 1.179 1.157
372 HD11 ILE 51 HD11 ILE 51 -11.223 1.676 2.878
373 HD12 ILE 51 HD12 ILE 51 -10.983 -0.027 3.277
374 HD13 ILE 51 HD13 ILE 51 -12.552 0.535 2.689
375 H ILE 52 H ILE 52 -12.468 0.535 -3.320
376 HA ILE 52 HA ILE 52 -12.854 3.329 -4.047
377 HB ILE 52 HB ILE 52 -13.968 0.821 -5.367
378 HG12 ILE 52 HG12 ILE 52 -11.672 2.613 -6.192
379 HG13 ILE 52 HG13 ILE 52 -11.529 0.973 -5.573
380 HG21 ILE 52 HG21 ILE 52 -14.546 2.287 -7.257
381 HG22 ILE 52 HG22 ILE 52 -14.009 3.686 -6.330
382 HG23 ILE 52 HG23 ILE 52 -15.400 2.749 -5.783
383 HD11 ILE 52 HD11 ILE 52 -11.258 1.047 -7.985
384 HD12 ILE 52 HD12 ILE 52 -12.855 1.775 -8.154
385 HD13 ILE 52 HD13 ILE 52 -12.696 0.128 -7.544
386 H HIS 53 H HIS 53 -14.761 0.496 -3.263
387 HA HIS 53 HA HIS 53 -16.490 1.928 -1.573
388 HB2 HIS 53 HB2 HIS 53 -17.536 2.408 -3.811
389 HB3 HIS 53 HB3 HIS 53 -17.659 0.676 -4.092
390 HD1 HIS 53 HD3 HIS 53 -19.748 -0.456 -3.201
391 HD2 HIS 53 HD2 HIS 53 -19.171 3.340 -1.627
392 HE1 HIS 53 HE1 HIS 53 -21.816 0.055 -1.861
Start of MODEL 13
1 H1 GLU 1 1HT GLU 1 -14.390 -6.987 -2.627
2 H2 GLU 1 2HT GLU 1 -14.611 -5.359 -2.240
3 H3 GLU 1 3HT GLU 1 -13.255 -6.164 -1.679
4 HA GLU 1 HA GLU 1 -12.422 -6.407 -3.876
5 HB2 GLU 1 HB2 GLU 1 -14.930 -4.934 -4.612
6 HB3 GLU 1 HB3 GLU 1 -13.533 -5.042 -5.670
7 HG2 GLU 1 HG2 GLU 1 -13.717 -7.436 -5.702
8 HG3 GLU 1 HG3 GLU 1 -15.085 -7.358 -4.592
9 H GLU 2 H GLU 2 -10.744 -5.270 -3.621
10 HA GLU 2 HA GLU 2 -11.038 -2.395 -3.214
11 HB2 GLU 2 HB2 GLU 2 -8.936 -4.260 -2.090
12 HB3 GLU 2 HB3 GLU 2 -8.772 -2.517 -2.095
13 HG2 GLU 2 HG2 GLU 2 -9.442 -3.193 0.086
14 HG3 GLU 2 HG3 GLU 2 -10.814 -2.392 -0.665
15 H THR 3 H THR 3 -9.515 -1.135 -4.287
16 HA THR 3 HA THR 3 -8.582 -2.210 -6.775
17 HB THR 3 HB THR 3 -8.085 0.477 -5.503
18 HG1 THR 3 HG1 THR 3 -10.300 -0.556 -6.930
19 HG21 THR 3 HG21 THR 3 -7.837 1.248 -7.835
20 HG22 THR 3 HG22 THR 3 -8.087 -0.409 -8.388
21 HG23 THR 3 HG23 THR 3 -6.665 -0.006 -7.427
22 H GLU 4 H GLU 4 -6.750 -3.344 -6.737
23 HA GLU 4 HA GLU 4 -4.790 -2.847 -4.663
24 HB2 GLU 4 HB2 GLU 4 -5.010 -5.036 -6.727
25 HB3 GLU 4 HB3 GLU 4 -3.703 -4.897 -5.552
26 HG2 GLU 4 HG2 GLU 4 -5.288 -5.144 -3.731
27 HG3 GLU 4 HG3 GLU 4 -6.618 -5.230 -4.884
28 H GLU 5 H GLU 5 -2.930 -1.886 -4.996
29 HA GLU 5 HA GLU 5 -1.924 -1.533 -7.710
30 HB2 GLU 5 HB2 GLU 5 -3.421 0.403 -7.210
31 HB3 GLU 5 HB3 GLU 5 -2.411 0.780 -5.828
32 HG2 GLU 5 HG2 GLU 5 -1.848 2.237 -7.638
33 HG3 GLU 5 HG3 GLU 5 -0.502 1.138 -7.345
34 HA PRO 6 HA PRO 6 1.728 -2.187 -5.091
35 HB2 PRO 6 HB2 PRO 6 3.226 -2.178 -7.591
36 HB3 PRO 6 HB3 PRO 6 3.002 -3.499 -6.444
37 HG2 PRO 6 HG2 PRO 6 1.895 -3.465 -8.918
38 HG3 PRO 6 HG3 PRO 6 1.166 -4.311 -7.540
39 HD2 PRO 6 HD2 PRO 6 0.449 -1.684 -8.766
40 HD3 PRO 6 HD3 PRO 6 -0.598 -2.955 -8.091
41 H ILE 7 H ILE 7 2.798 -0.603 -4.211
42 HA ILE 7 HA ILE 7 3.446 1.815 -5.763
43 HB ILE 7 HB ILE 7 3.389 3.072 -3.647
44 HG12 ILE 7 HG12 ILE 7 2.583 0.515 -2.295
45 HG13 ILE 7 HG13 ILE 7 4.266 1.046 -2.311
46 HG21 ILE 7 HG21 ILE 7 1.023 1.329 -3.982
47 HG22 ILE 7 HG22 ILE 7 1.379 2.853 -4.811
48 HG23 ILE 7 HG23 ILE 7 1.142 2.822 -3.046
49 HD11 ILE 7 HD11 ILE 7 3.605 3.093 -1.245
50 HD12 ILE 7 HD12 ILE 7 3.164 1.675 -0.274
51 HD13 ILE 7 HD13 ILE 7 1.927 2.548 -1.209
52 H ARG 8 H ARG 8 5.404 2.891 -5.025
53 HA ARG 8 HA ARG 8 7.616 1.031 -4.677
54 HB2 ARG 8 HB2 ARG 8 7.557 4.045 -5.017
55 HB3 ARG 8 HB3 ARG 8 8.999 3.042 -5.014
56 HG2 ARG 8 HG2 ARG 8 8.361 1.994 -7.058
57 HG3 ARG 8 HG3 ARG 8 6.795 2.810 -7.044
58 HD2 ARG 8 HD2 ARG 8 8.391 3.878 -8.578
59 HD3 ARG 8 HD3 ARG 8 7.890 4.961 -7.280
60 HE ARG 8 HE ARG 8 10.326 3.482 -6.810
61 HH11 ARG 8 HH11 ARG 8 8.960 6.486 -8.133
62 HH12 ARG 8 HH12 ARG 8 10.364 7.398 -7.876
63 HH21 ARG 8 HH21 ARG 8 12.269 4.776 -6.435
64 HH22 ARG 8 HH22 ARG 8 12.281 6.412 -6.871
65 H HIS 9 H HIS 9 8.802 0.925 -2.737
66 HA HIS 9 HA HIS 9 8.007 2.819 -0.651
67 HB2 HIS 9 HB2 HIS 9 6.809 0.466 -0.638
68 HB3 HIS 9 HB3 HIS 9 8.342 -0.085 0.021
69 HD1 HIS 9 HD3 HIS 9 9.013 0.997 2.436
70 HD2 HIS 9 HD2 HIS 9 5.168 1.753 1.069
71 HE1 HIS 9 HE1 HIS 9 7.731 1.848 4.403
72 H ALA 10 H ALA 10 9.638 3.123 0.924
73 HA ALA 10 HA ALA 10 12.319 2.520 -0.037
74 HB1 ALA 10 HB1 ALA 10 11.714 4.810 0.623
75 HB2 ALA 10 HB2 ALA 10 13.058 4.155 1.560
76 HB3 ALA 10 HB3 ALA 10 11.448 4.245 2.279
77 H LYS 11 H LYS 11 10.618 0.469 1.221
78 HA LYS 11 HA LYS 11 12.407 -0.394 3.368
79 HB2 LYS 11 HB2 LYS 11 10.156 0.575 4.188
80 HB3 LYS 11 HB3 LYS 11 9.396 -0.755 3.348
81 HG2 LYS 11 HG2 LYS 11 9.509 -1.272 5.669
82 HG3 LYS 11 HG3 LYS 11 10.648 -2.319 4.822
83 HD2 LYS 11 HD2 LYS 11 12.503 -0.953 5.515
84 HD3 LYS 11 HD3 LYS 11 11.409 0.268 6.167
85 HE2 LYS 11 HE2 LYS 11 11.688 -2.554 7.192
86 HE3 LYS 11 HE3 LYS 11 12.411 -1.125 7.926
87 HZ1 LYS 11 HZ1 LYS 11 10.433 -1.589 9.096
88 HZ2 LYS 11 HZ2 LYS 11 9.551 -1.808 7.701
89 HZ3 LYS 11 HZ3 LYS 11 10.030 -0.258 8.116
90 H LYS 12 H LYS 12 13.030 -2.480 2.890
91 HA LYS 12 HA LYS 12 12.427 -3.513 0.340
92 HB2 LYS 12 HB2 LYS 12 14.562 -3.913 1.519
93 HB3 LYS 12 HB3 LYS 12 13.715 -4.904 2.697
94 HG2 LYS 12 HG2 LYS 12 13.127 -6.500 0.945
95 HG3 LYS 12 HG3 LYS 12 13.946 -5.472 -0.241
96 HD2 LYS 12 HD2 LYS 12 16.049 -5.766 0.945
97 HD3 LYS 12 HD3 LYS 12 15.246 -6.786 2.136
98 HE2 LYS 12 HE2 LYS 12 15.465 -7.380 -0.815
99 HE3 LYS 12 HE3 LYS 12 16.469 -8.093 0.444
100 HZ1 LYS 12 HZ1 LYS 12 14.354 -8.967 1.421
101 HZ2 LYS 12 HZ2 LYS 12 14.823 -9.604 -0.054
102 HZ3 LYS 12 HZ3 LYS 12 13.559 -8.518 -0.024
103 H ASN 13 H ASN 13 11.511 -4.471 3.560
104 HA ASN 13 HA ASN 13 9.268 -5.983 2.417
105 HB2 ASN 13 HB2 ASN 13 11.100 -7.495 3.281
106 HB3 ASN 13 HB3 ASN 13 10.855 -6.778 4.868
107 HD21 ASN 13 HD21 ASN 13 8.459 -7.725 2.447
108 HD22 ASN 13 HD22 ASN 13 7.661 -8.850 3.487
109 HA PRO 14 HA PRO 14 7.800 -2.972 5.497
110 HB2 PRO 14 HB2 PRO 14 5.751 -2.058 3.805
111 HB3 PRO 14 HB3 PRO 14 7.303 -1.276 4.094
112 HG2 PRO 14 HG2 PRO 14 6.437 -2.431 1.676
113 HG3 PRO 14 HG3 PRO 14 8.084 -1.915 2.059
114 HD2 PRO 14 HD2 PRO 14 6.873 -4.624 2.131
115 HD3 PRO 14 HD3 PRO 14 8.547 -4.139 1.753
116 H SER 15 H SER 15 6.319 -3.327 6.998
117 HA SER 15 HA SER 15 4.297 -5.326 6.654
118 HB2 SER 15 HB2 SER 15 3.981 -4.590 9.137
119 HB3 SER 15 HB3 SER 15 5.442 -5.478 8.694
120 HG SER 15 HG SER 15 5.183 -2.898 9.595
121 H GLU 16 H GLU 16 2.110 -4.504 7.928
122 HA GLU 16 HA GLU 16 0.975 -2.776 6.123
123 HB2 GLU 16 HB2 GLU 16 -0.096 -3.695 8.746
124 HB3 GLU 16 HB3 GLU 16 -0.966 -2.507 7.784
125 HG2 GLU 16 HG2 GLU 16 -0.697 -4.261 5.884
126 HG3 GLU 16 HG3 GLU 16 -0.414 -5.379 7.216
127 H GLY 17 H GLY 17 2.059 -1.850 9.389
128 HA2 GLY 17 HA2 GLY 17 0.970 0.713 9.418
129 HA3 GLY 17 HA3 GLY 17 2.483 0.301 10.201
130 H GLU 18 H GLU 18 4.132 -0.194 8.219
131 HA GLU 18 HA GLU 18 5.110 2.195 7.180
132 HB2 GLU 18 HB2 GLU 18 5.373 -0.571 5.975
133 HB3 GLU 18 HB3 GLU 18 6.433 0.788 5.670
134 HG2 GLU 18 HG2 GLU 18 6.086 -0.480 8.374
135 HG3 GLU 18 HG3 GLU 18 7.310 -0.971 7.212
136 H CYS 19 H CYS 19 3.342 -0.379 5.492
137 HA CYS 19 HA CYS 19 3.119 0.991 3.065
138 HB2 CYS 19 HB2 CYS 19 1.573 -1.406 4.051
139 HB3 CYS 19 HB3 CYS 19 1.507 -0.712 2.445
140 H LYS 20 H LYS 20 0.764 0.580 5.703
141 HA LYS 20 HA LYS 20 -1.398 1.721 4.347
142 HB2 LYS 20 HB2 LYS 20 -0.878 1.854 7.344
143 HB3 LYS 20 HB3 LYS 20 -2.426 2.124 6.565
144 HG2 LYS 20 HG2 LYS 20 -0.916 -0.495 6.536
145 HG3 LYS 20 HG3 LYS 20 -2.213 -0.098 7.651
146 HD2 LYS 20 HD2 LYS 20 -2.880 0.232 4.801
147 HD3 LYS 20 HD3 LYS 20 -2.527 -1.422 5.293
148 HE2 LYS 20 HE2 LYS 20 -4.529 0.398 6.621
149 HE3 LYS 20 HE3 LYS 20 -4.930 -0.854 5.452
150 HZ1 LYS 20 HZ1 LYS 20 -3.942 -2.499 7.009
151 HZ2 LYS 20 HZ2 LYS 20 -5.277 -1.720 7.664
152 HZ3 LYS 20 HZ3 LYS 20 -3.744 -1.286 8.161
153 H LYS 21 H LYS 21 1.192 3.151 6.281
154 HA LYS 21 HA LYS 21 0.393 5.826 6.144
155 HB2 LYS 21 HB2 LYS 21 2.213 5.145 7.587
156 HB3 LYS 21 HB3 LYS 21 3.150 4.582 6.218
157 HG2 LYS 21 HG2 LYS 21 4.051 6.670 7.036
158 HG3 LYS 21 HG3 LYS 21 3.368 6.896 5.429
159 HD2 LYS 21 HD2 LYS 21 1.362 7.884 6.404
160 HD3 LYS 21 HD3 LYS 21 2.000 7.624 8.026
161 HE2 LYS 21 HE2 LYS 21 2.367 9.925 7.395
162 HE3 LYS 21 HE3 LYS 21 3.917 9.093 7.458
163 HZ1 LYS 21 HZ1 LYS 21 3.797 10.473 5.497
164 HZ2 LYS 21 HZ2 LYS 21 2.363 9.754 5.015
165 HZ3 LYS 21 HZ3 LYS 21 3.802 8.858 5.025
166 H ALA 22 H ALA 22 2.565 4.020 3.956
167 HA ALA 22 HA ALA 22 2.933 6.172 2.159
168 HB1 ALA 22 HB1 ALA 22 3.276 3.230 1.635
169 HB2 ALA 22 HB2 ALA 22 4.504 4.308 2.304
170 HB3 ALA 22 HB3 ALA 22 3.927 4.543 0.657
171 H CYS 23 H CYS 23 0.819 3.342 1.947
172 HA CYS 23 HA CYS 23 -0.319 3.842 -0.544
173 HB2 CYS 23 HB2 CYS 23 -1.559 2.522 1.877
174 HB3 CYS 23 HB3 CYS 23 -2.199 2.432 0.242
175 H ALA 24 H ALA 24 -1.215 5.007 2.686
176 HA ALA 24 HA ALA 24 -3.534 6.357 1.838
177 HB1 ALA 24 HB1 ALA 24 -3.085 5.796 4.170
178 HB2 ALA 24 HB2 ALA 24 -3.359 7.527 3.962
179 HB3 ALA 24 HB3 ALA 24 -1.719 6.911 4.174
180 H ASP 25 H ASP 25 -0.266 7.486 2.572
181 HA ASP 25 HA ASP 25 -0.563 10.169 1.972
182 HB2 ASP 25 HB2 ASP 25 1.358 9.460 3.151
183 HB3 ASP 25 HB3 ASP 25 1.832 8.368 1.861
184 H ALA 26 H ALA 26 0.272 7.553 -0.247
185 HA ALA 26 HA ALA 26 0.656 9.449 -2.401
186 HB1 ALA 26 HB1 ALA 26 2.173 7.547 -2.136
187 HB2 ALA 26 HB2 ALA 26 1.381 7.565 -3.711
188 HB3 ALA 26 HB3 ALA 26 0.833 6.449 -2.463
189 H PHE 27 H PHE 27 -2.094 8.041 -1.126
190 HA PHE 27 HA PHE 27 -3.335 8.169 -3.789
191 HB2 PHE 27 HB2 PHE 27 -3.635 5.906 -1.855
192 HB3 PHE 27 HB3 PHE 27 -4.848 6.236 -3.086
193 HD1 PHE 27 HD1 PHE 27 -4.086 6.344 -5.472
194 HD2 PHE 27 HD2 PHE 27 -1.681 4.631 -2.395
195 HE1 PHE 27 HE1 PHE 27 -2.816 5.119 -7.138
196 HE2 PHE 27 HE2 PHE 27 -0.442 3.412 -4.051
197 HZ PHE 27 HZ PHE 27 -0.976 3.634 -6.439
198 H ALA 28 H ALA 28 -3.903 8.266 -0.339
199 HA ALA 28 HA ALA 28 -6.478 9.584 -0.862
200 HB1 ALA 28 HB1 ALA 28 -6.724 7.359 0.115
201 HB2 ALA 28 HB2 ALA 28 -7.254 8.619 1.229
202 HB3 ALA 28 HB3 ALA 28 -5.691 7.837 1.463
203 H ASN 29 H ASN 29 -3.605 10.539 -0.372
204 HA ASN 29 HA ASN 29 -2.564 12.313 0.577
205 HB2 ASN 29 HB2 ASN 29 -5.400 13.160 1.175
206 HB3 ASN 29 HB3 ASN 29 -4.003 14.178 1.494
207 HD21 ASN 29 HD21 ASN 29 -6.241 14.609 -0.291
208 HD22 ASN 29 HD22 ASN 29 -5.570 14.801 -1.870
209 H GLY 30 H GLY 30 -3.217 9.938 2.276
210 HA2 GLY 30 HA2 GLY 30 -1.887 9.749 4.329
211 HA3 GLY 30 HA3 GLY 30 -2.562 11.294 4.820
212 H ASP 31 H ASP 31 -5.169 9.991 3.582
213 HA ASP 31 HA ASP 31 -6.235 9.146 6.109
214 HB2 ASP 31 HB2 ASP 31 -7.568 10.281 4.296
215 HB3 ASP 31 HB3 ASP 31 -7.458 8.793 3.365
216 H GLN 32 H GLN 32 -5.756 7.218 6.953
217 HA GLN 32 HA GLN 32 -4.852 5.081 5.222
218 HB2 GLN 32 HB2 GLN 32 -5.056 5.111 8.231
219 HB3 GLN 32 HB3 GLN 32 -4.235 3.904 7.257
220 HG2 GLN 32 HG2 GLN 32 -2.677 5.637 6.466
221 HG3 GLN 32 HG3 GLN 32 -3.473 6.806 7.513
222 HE21 GLN 32 HE21 GLN 32 -0.760 6.012 7.546
223 HE22 GLN 32 HE22 GLN 32 -0.421 5.349 9.103
224 H SER 33 H SER 33 -7.850 6.029 6.244
225 HA SER 33 HA SER 33 -8.862 3.413 6.903
226 HB2 SER 33 HB2 SER 33 -9.744 5.487 7.976
227 HB3 SER 33 HB3 SER 33 -10.328 6.017 6.402
228 HG SER 33 HG SER 33 -11.126 3.606 7.686
229 H LYS 34 H LYS 34 -8.435 5.413 4.155
230 HA LYS 34 HA LYS 34 -10.327 4.099 2.446
231 HB2 LYS 34 HB2 LYS 34 -7.864 5.640 1.607
232 HB3 LYS 34 HB3 LYS 34 -9.276 5.298 0.624
233 HG2 LYS 34 HG2 LYS 34 -9.159 7.104 3.032
234 HG3 LYS 34 HG3 LYS 34 -9.290 7.600 1.347
235 HD2 LYS 34 HD2 LYS 34 -11.483 6.545 1.195
236 HD3 LYS 34 HD3 LYS 34 -11.329 5.975 2.855
237 HE2 LYS 34 HE2 LYS 34 -12.721 7.975 2.747
238 HE3 LYS 34 HE3 LYS 34 -11.246 8.268 3.666
239 HZ1 LYS 34 HZ1 LYS 34 -11.682 10.106 2.217
240 HZ2 LYS 34 HZ2 LYS 34 -11.779 9.116 0.864
241 HZ3 LYS 34 HZ3 LYS 34 -10.312 9.328 1.647
242 H ILE 35 H ILE 35 -7.323 3.276 3.686
243 HA ILE 35 HA ILE 35 -6.827 1.311 1.572
244 HB ILE 35 HB ILE 35 -4.995 2.136 3.852
245 HG12 ILE 35 HG12 ILE 35 -5.326 4.050 2.366
246 HG13 ILE 35 HG13 ILE 35 -3.701 3.411 2.171
247 HG21 ILE 35 HG21 ILE 35 -3.240 1.007 2.551
248 HG22 ILE 35 HG22 ILE 35 -4.442 0.537 1.352
249 HG23 ILE 35 HG23 ILE 35 -4.541 -0.099 2.993
250 HD11 ILE 35 HD11 ILE 35 -6.029 2.973 0.309
251 HD12 ILE 35 HD12 ILE 35 -4.423 2.279 0.108
252 HD13 ILE 35 HD13 ILE 35 -4.643 4.029 0.028
253 H ALA 36 H ALA 36 -7.766 -0.562 2.020
254 HA ALA 36 HA ALA 36 -8.632 -1.158 4.712
255 HB1 ALA 36 HB1 ALA 36 -8.894 -2.807 2.207
256 HB2 ALA 36 HB2 ALA 36 -10.074 -1.636 2.787
257 HB3 ALA 36 HB3 ALA 36 -9.732 -3.086 3.733
258 H LYS 37 H LYS 37 -6.176 -2.237 2.503
259 HA LYS 37 HA LYS 37 -4.854 -3.697 4.599
260 HB2 LYS 37 HB2 LYS 37 -6.443 -5.365 3.724
261 HB3 LYS 37 HB3 LYS 37 -5.913 -5.041 2.093
262 HG2 LYS 37 HG2 LYS 37 -5.013 -7.152 2.887
263 HG3 LYS 37 HG3 LYS 37 -3.716 -5.999 2.604
264 HD2 LYS 37 HD2 LYS 37 -3.358 -7.280 4.665
265 HD3 LYS 37 HD3 LYS 37 -3.565 -5.566 5.006
266 HE2 LYS 37 HE2 LYS 37 -5.859 -5.947 5.693
267 HE3 LYS 37 HE3 LYS 37 -5.737 -7.646 5.237
268 HZ1 LYS 37 HZ1 LYS 37 -4.127 -7.980 6.948
269 HZ2 LYS 37 HZ2 LYS 37 -5.483 -7.285 7.640
270 HZ3 LYS 37 HZ3 LYS 37 -4.091 -6.347 7.353
271 H ALA 38 H ALA 38 -2.678 -3.971 4.061
272 HA ALA 38 HA ALA 38 -1.836 -3.356 1.370
273 HB1 ALA 38 HB1 ALA 38 -0.076 -1.890 2.172
274 HB2 ALA 38 HB2 ALA 38 -0.695 -2.022 3.823
275 HB3 ALA 38 HB3 ALA 38 -1.665 -1.238 2.568
276 H GLU 39 H GLU 39 -0.012 -4.499 0.829
277 HA GLU 39 HA GLU 39 1.205 -6.192 2.857
278 HB2 GLU 39 HB2 GLU 39 -0.833 -7.424 2.201
279 HB3 GLU 39 HB3 GLU 39 -0.333 -7.360 0.522
280 HG2 GLU 39 HG2 GLU 39 0.099 -9.554 1.490
281 HG3 GLU 39 HG3 GLU 39 1.605 -8.758 1.042
282 H ASN 40 H ASN 40 3.046 -7.330 2.058
283 HA ASN 40 HA ASN 40 4.661 -5.752 0.346
284 HB2 ASN 40 HB2 ASN 40 5.667 -7.112 2.101
285 HB3 ASN 40 HB3 ASN 40 5.036 -8.578 1.362
286 HD21 ASN 40 HD21 ASN 40 7.476 -6.099 1.176
287 HD22 ASN 40 HD22 ASN 40 8.481 -6.912 0.040
288 H PHE 41 H PHE 41 4.836 -5.764 -1.747
289 HA PHE 41 HA PHE 41 3.423 -7.795 -3.310
290 HB2 PHE 41 HB2 PHE 41 2.823 -5.480 -3.815
291 HB3 PHE 41 HB3 PHE 41 4.510 -5.056 -4.012
292 HD1 PHE 41 HD1 PHE 41 5.625 -5.364 -6.063
293 HD2 PHE 41 HD2 PHE 41 1.725 -6.973 -5.522
294 HE1 PHE 41 HE1 PHE 41 5.518 -5.843 -8.436
295 HE2 PHE 41 HE2 PHE 41 1.600 -7.456 -7.931
296 HZ PHE 41 HZ PHE 41 3.498 -6.896 -9.397
297 H LYS 42 H LYS 42 6.482 -6.102 -3.002
298 HA LYS 42 HA LYS 42 8.012 -8.296 -3.883
299 HB2 LYS 42 HB2 LYS 42 7.303 -7.418 -6.089
300 HB3 LYS 42 HB3 LYS 42 7.745 -5.794 -5.632
301 HG2 LYS 42 HG2 LYS 42 9.324 -6.783 -7.188
302 HG3 LYS 42 HG3 LYS 42 10.090 -6.404 -5.648
303 HD2 LYS 42 HD2 LYS 42 9.804 -8.784 -4.997
304 HD3 LYS 42 HD3 LYS 42 9.167 -9.114 -6.612
305 HE2 LYS 42 HE2 LYS 42 11.288 -8.367 -7.578
306 HE3 LYS 42 HE3 LYS 42 11.908 -8.047 -5.959
307 HZ1 LYS 42 HZ1 LYS 42 11.686 -10.398 -5.449
308 HZ2 LYS 42 HZ2 LYS 42 12.656 -10.185 -6.812
309 HZ3 LYS 42 HZ3 LYS 42 11.073 -10.697 -6.990
310 H ASP 43 H ASP 43 10.369 -7.439 -3.781
311 HA ASP 43 HA ASP 43 10.745 -6.148 -1.324
312 HB2 ASP 43 HB2 ASP 43 12.717 -6.507 -3.582
313 HB3 ASP 43 HB3 ASP 43 13.118 -6.188 -1.901
314 H TYR 44 H TYR 44 10.529 -4.131 -0.890
315 HA TYR 44 HA TYR 44 10.500 -1.886 -0.944
316 HB2 TYR 44 HB2 TYR 44 12.042 -2.182 -3.523
317 HB3 TYR 44 HB3 TYR 44 11.614 -0.628 -2.822
318 HD1 TYR 44 HD1 TYR 44 12.586 0.049 -0.664
319 HD2 TYR 44 HD2 TYR 44 13.862 -3.461 -2.679
320 HE1 TYR 44 HE1 TYR 44 14.613 0.033 0.694
321 HE2 TYR 44 HE2 TYR 44 15.897 -3.510 -1.329
322 HH TYR 44 HH TYR 44 17.265 -1.786 -0.109
323 H TYR 45 H TYR 45 8.520 -3.677 -2.304
324 HA TYR 45 HA TYR 45 6.952 -1.482 -3.429
325 HB2 TYR 45 HB2 TYR 45 7.303 -4.210 -4.637
326 HB3 TYR 45 HB3 TYR 45 5.963 -3.151 -5.051
327 HD1 TYR 45 HD1 TYR 45 6.504 -0.910 -6.032
328 HD2 TYR 45 HD2 TYR 45 9.387 -4.009 -5.740
329 HE1 TYR 45 HE1 TYR 45 7.842 0.178 -7.792
330 HE2 TYR 45 HE2 TYR 45 10.737 -2.941 -7.477
331 HH TYR 45 HH TYR 45 10.385 -1.385 -9.359
332 H CYS 46 H CYS 46 4.909 -1.478 -2.815
333 HA CYS 46 HA CYS 46 4.039 -3.799 -1.238
334 HB2 CYS 46 HB2 CYS 46 4.819 -1.804 0.177
335 HB3 CYS 46 HB3 CYS 46 3.384 -0.975 -0.420
336 H ASN 47 H ASN 47 1.890 -4.324 -1.393
337 HA ASN 47 HA ASN 47 0.486 -3.143 -3.672
338 HB2 ASN 47 HB2 ASN 47 0.859 -5.610 -3.623
339 HB3 ASN 47 HB3 ASN 47 -0.028 -5.686 -2.108
340 HD21 ASN 47 HD21 ASN 47 -1.490 -7.072 -2.981
341 HD22 ASN 47 HD22 ASN 47 -2.735 -6.589 -4.073
342 H CYS 48 H CYS 48 -0.896 -1.643 -3.193
343 HA CYS 48 HA CYS 48 -2.019 -1.442 -0.519
344 HB2 CYS 48 HB2 CYS 48 -2.195 0.426 -2.880
345 HB3 CYS 48 HB3 CYS 48 -2.685 0.779 -1.226
346 H HIS 49 H HIS 49 -4.149 -1.744 -0.099
347 HA HIS 49 HA HIS 49 -5.856 -2.547 -2.333
348 HB2 HIS 49 HB2 HIS 49 -6.060 -3.252 0.622
349 HB3 HIS 49 HB3 HIS 49 -7.196 -3.762 -0.617
350 HD1 HIS 49 HD3 HIS 49 -6.827 -6.177 -1.192
351 HD2 HIS 49 HD2 HIS 49 -3.272 -4.257 -0.188
352 HE1 HIS 49 HE1 HIS 49 -5.037 -7.923 -1.306
353 H ILE 50 H ILE 50 -6.654 -0.661 -2.873
354 HA ILE 50 HA ILE 50 -7.422 1.276 -0.845
355 HB ILE 50 HB ILE 50 -7.667 1.620 -3.838
356 HG12 ILE 50 HG12 ILE 50 -5.206 2.239 -2.179
357 HG13 ILE 50 HG13 ILE 50 -5.348 0.816 -3.205
358 HG21 ILE 50 HG21 ILE 50 -7.142 3.475 -1.539
359 HG22 ILE 50 HG22 ILE 50 -8.703 3.277 -2.346
360 HG23 ILE 50 HG23 ILE 50 -7.326 3.981 -3.222
361 HD11 ILE 50 HD11 ILE 50 -5.592 2.259 -5.158
362 HD12 ILE 50 HD12 ILE 50 -4.087 2.571 -4.295
363 HD13 ILE 50 HD13 ILE 50 -5.448 3.680 -4.124
364 H ILE 51 H ILE 51 -9.484 1.542 -0.248
365 HA ILE 51 HA ILE 51 -11.552 -0.116 -1.297
366 HB ILE 51 HB ILE 51 -11.761 2.290 0.559
367 HG12 ILE 51 HG12 ILE 51 -11.573 -0.659 1.220
368 HG13 ILE 51 HG13 ILE 51 -10.275 0.510 1.425
369 HG21 ILE 51 HG21 ILE 51 -13.896 1.284 1.254
370 HG22 ILE 51 HG22 ILE 51 -13.687 0.023 0.041
371 HG23 ILE 51 HG23 ILE 51 -13.902 1.699 -0.461
372 HD11 ILE 51 HD11 ILE 51 -12.919 0.531 2.863
373 HD12 ILE 51 HD12 ILE 51 -11.619 1.704 3.077
374 HD13 ILE 51 HD13 ILE 51 -11.371 0.021 3.537
375 H ILE 52 H ILE 52 -13.057 0.366 -2.823
376 HA ILE 52 HA ILE 52 -12.438 2.461 -4.640
377 HB ILE 52 HB ILE 52 -14.896 0.683 -4.625
378 HG12 ILE 52 HG12 ILE 52 -12.230 0.212 -5.994
379 HG13 ILE 52 HG13 ILE 52 -12.756 -0.608 -4.529
380 HG21 ILE 52 HG21 ILE 52 -14.886 1.121 -7.056
381 HG22 ILE 52 HG22 ILE 52 -13.508 2.200 -6.847
382 HG23 ILE 52 HG23 ILE 52 -15.062 2.608 -6.124
383 HD11 ILE 52 HD11 ILE 52 -14.087 -0.775 -7.222
384 HD12 ILE 52 HD12 ILE 52 -14.610 -1.609 -5.759
385 HD13 ILE 52 HD13 ILE 52 -13.053 -2.004 -6.490
386 H HIS 53 H HIS 53 -15.283 1.784 -2.618
387 HA HIS 53 HA HIS 53 -15.761 4.643 -2.690
388 HB2 HIS 53 HB2 HIS 53 -18.201 4.242 -2.301
389 HB3 HIS 53 HB3 HIS 53 -17.651 3.565 -3.816
390 HD1 HIS 53 HD3 HIS 53 -17.815 0.938 -4.042
391 HD2 HIS 53 HD2 HIS 53 -19.144 2.469 -0.419
392 HE1 HIS 53 HE1 HIS 53 -19.021 -0.951 -2.898
Start of MODEL 14
1 H1 GLU 1 1HT GLU 1 -15.557 -1.612 -2.062
2 H2 GLU 1 2HT GLU 1 -14.696 -2.581 -0.956
3 H3 GLU 1 3HT GLU 1 -16.152 -3.147 -1.613
4 HA GLU 1 HA GLU 1 -14.237 -4.182 -2.502
5 HB2 GLU 1 HB2 GLU 1 -15.591 -2.338 -4.455
6 HB3 GLU 1 HB3 GLU 1 -14.572 -3.696 -4.920
7 HG2 GLU 1 HG2 GLU 1 -17.155 -3.828 -3.385
8 HG3 GLU 1 HG3 GLU 1 -16.832 -4.346 -5.044
9 H GLU 2 H GLU 2 -12.305 -4.192 -3.119
10 HA GLU 2 HA GLU 2 -10.864 -1.649 -2.862
11 HB2 GLU 2 HB2 GLU 2 -10.012 -4.353 -1.796
12 HB3 GLU 2 HB3 GLU 2 -9.137 -2.843 -1.639
13 HG2 GLU 2 HG2 GLU 2 -10.141 -3.356 0.469
14 HG3 GLU 2 HG3 GLU 2 -10.997 -1.976 -0.211
15 H THR 3 H THR 3 -9.135 -1.392 -4.202
16 HA THR 3 HA THR 3 -8.633 -3.579 -6.076
17 HB THR 3 HB THR 3 -8.409 -0.600 -6.535
18 HG1 THR 3 HG1 THR 3 -10.444 -2.137 -6.638
19 HG21 THR 3 HG21 THR 3 -7.840 -1.194 -8.870
20 HG22 THR 3 HG22 THR 3 -7.813 -2.898 -8.419
21 HG23 THR 3 HG23 THR 3 -6.623 -1.790 -7.741
22 H GLU 4 H GLU 4 -6.724 -4.416 -6.105
23 HA GLU 4 HA GLU 4 -4.661 -3.632 -4.351
24 HB2 GLU 4 HB2 GLU 4 -4.684 -5.615 -6.641
25 HB3 GLU 4 HB3 GLU 4 -3.417 -5.464 -5.441
26 HG2 GLU 4 HG2 GLU 4 -4.736 -7.365 -4.894
27 HG3 GLU 4 HG3 GLU 4 -5.072 -6.121 -3.702
28 H GLU 5 H GLU 5 -3.339 -2.056 -4.738
29 HA GLU 5 HA GLU 5 -2.426 -1.480 -7.477
30 HB2 GLU 5 HB2 GLU 5 -4.023 0.220 -6.627
31 HB3 GLU 5 HB3 GLU 5 -2.993 0.473 -5.234
32 HG2 GLU 5 HG2 GLU 5 -2.688 2.264 -6.789
33 HG3 GLU 5 HG3 GLU 5 -1.221 1.296 -6.730
34 HA PRO 6 HA PRO 6 1.324 -2.330 -5.092
35 HB2 PRO 6 HB2 PRO 6 2.939 -2.749 -7.244
36 HB3 PRO 6 HB3 PRO 6 1.892 -3.983 -6.539
37 HG2 PRO 6 HG2 PRO 6 1.577 -2.453 -9.051
38 HG3 PRO 6 HG3 PRO 6 0.934 -4.040 -8.614
39 HD2 PRO 6 HD2 PRO 6 -0.478 -1.594 -8.638
40 HD3 PRO 6 HD3 PRO 6 -1.032 -3.131 -7.957
41 H ILE 7 H ILE 7 2.271 -0.671 -4.250
42 HA ILE 7 HA ILE 7 3.030 1.624 -5.936
43 HB ILE 7 HB ILE 7 2.971 3.025 -3.968
44 HG12 ILE 7 HG12 ILE 7 2.254 0.629 -2.315
45 HG13 ILE 7 HG13 ILE 7 3.936 1.151 -2.466
46 HG21 ILE 7 HG21 ILE 7 0.638 1.180 -3.987
47 HG22 ILE 7 HG22 ILE 7 0.886 2.599 -5.010
48 HG23 ILE 7 HG23 ILE 7 0.731 2.776 -3.244
49 HD11 ILE 7 HD11 ILE 7 1.637 2.745 -1.398
50 HD12 ILE 7 HD12 ILE 7 3.295 3.319 -1.594
51 HD13 ILE 7 HD13 ILE 7 2.944 2.012 -0.449
52 H ARG 8 H ARG 8 4.974 2.723 -5.363
53 HA ARG 8 HA ARG 8 7.212 0.933 -4.937
54 HB2 ARG 8 HB2 ARG 8 7.138 3.938 -5.274
55 HB3 ARG 8 HB3 ARG 8 8.545 2.900 -5.415
56 HG2 ARG 8 HG2 ARG 8 7.708 1.946 -7.441
57 HG3 ARG 8 HG3 ARG 8 6.176 2.807 -7.261
58 HD2 ARG 8 HD2 ARG 8 8.882 4.086 -7.591
59 HD3 ARG 8 HD3 ARG 8 7.671 3.934 -8.865
60 HE ARG 8 HE ARG 8 6.416 5.207 -6.784
61 HH11 ARG 8 HH11 ARG 8 9.254 5.928 -8.784
62 HH12 ARG 8 HH12 ARG 8 9.044 7.617 -8.720
63 HH21 ARG 8 HH21 ARG 8 6.132 7.558 -6.713
64 HH22 ARG 8 HH22 ARG 8 7.238 8.553 -7.537
65 H HIS 9 H HIS 9 8.419 0.925 -3.018
66 HA HIS 9 HA HIS 9 7.600 2.850 -0.970
67 HB2 HIS 9 HB2 HIS 9 6.753 0.455 -0.624
68 HB3 HIS 9 HB3 HIS 9 8.441 -0.003 -0.412
69 HD1 HIS 9 HD3 HIS 9 9.228 0.078 1.982
70 HD2 HIS 9 HD2 HIS 9 5.942 2.507 1.269
71 HE1 HIS 9 HE1 HIS 9 8.553 1.089 4.231
72 H ALA 10 H ALA 10 9.310 3.681 0.253
73 HA ALA 10 HA ALA 10 11.888 3.455 -1.060
74 HB1 ALA 10 HB1 ALA 10 10.964 5.662 -0.532
75 HB2 ALA 10 HB2 ALA 10 12.532 5.386 0.229
76 HB3 ALA 10 HB3 ALA 10 11.056 5.274 1.188
77 H LYS 11 H LYS 11 10.691 1.455 1.066
78 HA LYS 11 HA LYS 11 13.186 1.187 2.531
79 HB2 LYS 11 HB2 LYS 11 11.478 2.271 3.966
80 HB3 LYS 11 HB3 LYS 11 10.388 0.949 3.614
81 HG2 LYS 11 HG2 LYS 11 11.738 -0.573 4.864
82 HG3 LYS 11 HG3 LYS 11 12.980 0.668 5.113
83 HD2 LYS 11 HD2 LYS 11 11.380 2.045 6.322
84 HD3 LYS 11 HD3 LYS 11 10.118 0.854 6.038
85 HE2 LYS 11 HE2 LYS 11 11.317 -0.766 7.392
86 HE3 LYS 11 HE3 LYS 11 12.638 0.385 7.618
87 HZ1 LYS 11 HZ1 LYS 11 11.243 1.807 8.858
88 HZ2 LYS 11 HZ2 LYS 11 10.969 0.264 9.488
89 HZ3 LYS 11 HZ3 LYS 11 9.855 0.973 8.425
90 H LYS 12 H LYS 12 13.845 -0.857 2.617
91 HA LYS 12 HA LYS 12 13.304 -2.444 0.470
92 HB2 LYS 12 HB2 LYS 12 15.389 -2.394 1.743
93 HB3 LYS 12 HB3 LYS 12 14.613 -3.292 3.037
94 HG2 LYS 12 HG2 LYS 12 14.266 -5.161 1.496
95 HG3 LYS 12 HG3 LYS 12 15.093 -4.252 0.230
96 HD2 LYS 12 HD2 LYS 12 17.109 -4.167 1.595
97 HD3 LYS 12 HD3 LYS 12 16.282 -5.049 2.881
98 HE2 LYS 12 HE2 LYS 12 16.875 -6.057 0.107
99 HE3 LYS 12 HE3 LYS 12 17.687 -6.542 1.590
100 HZ1 LYS 12 HZ1 LYS 12 15.487 -7.348 2.385
101 HZ2 LYS 12 HZ2 LYS 12 16.111 -8.177 1.050
102 HZ3 LYS 12 HZ3 LYS 12 14.859 -7.083 0.827
103 H ASN 13 H ASN 13 12.277 -3.163 3.791
104 HA ASN 13 HA ASN 13 10.348 -4.988 2.574
105 HB2 ASN 13 HB2 ASN 13 11.984 -5.825 4.978
106 HB3 ASN 13 HB3 ASN 13 10.671 -6.745 4.262
107 HD21 ASN 13 HD21 ASN 13 10.995 -7.621 2.128
108 HD22 ASN 13 HD22 ASN 13 12.578 -7.845 1.505
109 HA PRO 14 HA PRO 14 8.108 -2.589 5.561
110 HB2 PRO 14 HB2 PRO 14 6.148 -1.864 3.893
111 HB3 PRO 14 HB3 PRO 14 7.707 -1.038 3.939
112 HG2 PRO 14 HG2 PRO 14 6.620 -2.892 1.912
113 HG3 PRO 14 HG3 PRO 14 7.827 -1.611 1.736
114 HD2 PRO 14 HD2 PRO 14 8.274 -4.400 1.996
115 HD3 PRO 14 HD3 PRO 14 9.486 -3.106 1.951
116 H SER 15 H SER 15 6.629 -3.408 6.854
117 HA SER 15 HA SER 15 5.016 -5.658 6.003
118 HB2 SER 15 HB2 SER 15 5.322 -4.350 8.722
119 HB3 SER 15 HB3 SER 15 4.522 -5.888 8.389
120 HG SER 15 HG SER 15 7.220 -5.259 8.489
121 H GLU 16 H GLU 16 2.658 -5.382 7.260
122 HA GLU 16 HA GLU 16 1.240 -3.682 5.636
123 HB2 GLU 16 HB2 GLU 16 0.469 -4.944 8.225
124 HB3 GLU 16 HB3 GLU 16 -0.641 -3.943 7.304
125 HG2 GLU 16 HG2 GLU 16 -0.401 -5.455 5.404
126 HG3 GLU 16 HG3 GLU 16 0.676 -6.473 6.362
127 H GLY 17 H GLY 17 2.510 -2.869 8.850
128 HA2 GLY 17 HA2 GLY 17 0.982 -0.506 9.177
129 HA3 GLY 17 HA3 GLY 17 2.524 -0.837 9.961
130 H GLU 18 H GLU 18 4.284 -0.953 8.080
131 HA GLU 18 HA GLU 18 4.893 1.640 7.258
132 HB2 GLU 18 HB2 GLU 18 5.786 -0.948 5.979
133 HB3 GLU 18 HB3 GLU 18 6.549 0.614 5.756
134 HG2 GLU 18 HG2 GLU 18 6.371 -0.891 8.352
135 HG3 GLU 18 HG3 GLU 18 7.774 -0.838 7.293
136 H CYS 19 H CYS 19 3.567 -1.069 5.398
137 HA CYS 19 HA CYS 19 3.287 0.301 3.004
138 HB2 CYS 19 HB2 CYS 19 1.850 -2.142 4.015
139 HB3 CYS 19 HB3 CYS 19 1.647 -1.508 2.386
140 H LYS 20 H LYS 20 0.755 -0.223 5.540
141 HA LYS 20 HA LYS 20 -1.229 1.083 4.072
142 HB2 LYS 20 HB2 LYS 20 -0.971 0.774 7.063
143 HB3 LYS 20 HB3 LYS 20 -2.355 1.529 6.300
144 HG2 LYS 20 HG2 LYS 20 -2.693 -0.644 5.044
145 HG3 LYS 20 HG3 LYS 20 -1.478 -1.346 6.120
146 HD2 LYS 20 HD2 LYS 20 -2.812 -0.719 8.052
147 HD3 LYS 20 HD3 LYS 20 -4.012 0.026 7.002
148 HE2 LYS 20 HE2 LYS 20 -4.901 -2.080 7.604
149 HE3 LYS 20 HE3 LYS 20 -4.313 -2.266 5.954
150 HZ1 LYS 20 HZ1 LYS 20 -2.299 -3.346 6.896
151 HZ2 LYS 20 HZ2 LYS 20 -3.716 -4.151 7.325
152 HZ3 LYS 20 HZ3 LYS 20 -2.969 -3.155 8.431
153 H LYS 21 H LYS 21 1.172 2.391 6.294
154 HA LYS 21 HA LYS 21 0.190 5.032 6.320
155 HB2 LYS 21 HB2 LYS 21 1.982 4.034 7.826
156 HB3 LYS 21 HB3 LYS 21 3.104 4.191 6.494
157 HG2 LYS 21 HG2 LYS 21 1.675 6.524 7.786
158 HG3 LYS 21 HG3 LYS 21 3.275 5.973 8.260
159 HD2 LYS 21 HD2 LYS 21 4.066 6.450 5.963
160 HD3 LYS 21 HD3 LYS 21 2.463 7.054 5.556
161 HE2 LYS 21 HE2 LYS 21 4.286 8.198 7.682
162 HE3 LYS 21 HE3 LYS 21 4.033 8.875 6.077
163 HZ1 LYS 21 HZ1 LYS 21 1.711 9.252 6.638
164 HZ2 LYS 21 HZ2 LYS 21 2.705 10.015 7.736
165 HZ3 LYS 21 HZ3 LYS 21 1.934 8.598 8.172
166 H ALA 22 H ALA 22 2.542 3.421 4.217
167 HA ALA 22 HA ALA 22 3.119 5.664 2.612
168 HB1 ALA 22 HB1 ALA 22 3.356 2.743 1.913
169 HB2 ALA 22 HB2 ALA 22 4.584 3.712 2.729
170 HB3 ALA 22 HB3 ALA 22 4.130 4.080 1.065
171 H CYS 23 H CYS 23 0.890 2.957 2.157
172 HA CYS 23 HA CYS 23 -0.162 3.593 -0.334
173 HB2 CYS 23 HB2 CYS 23 -1.543 2.326 2.037
174 HB3 CYS 23 HB3 CYS 23 -2.169 2.325 0.397
175 H ALA 24 H ALA 24 -1.150 4.675 2.888
176 HA ALA 24 HA ALA 24 -3.377 6.178 2.126
177 HB1 ALA 24 HB1 ALA 24 -3.104 7.263 4.281
178 HB2 ALA 24 HB2 ALA 24 -1.461 6.634 4.399
179 HB3 ALA 24 HB3 ALA 24 -2.830 5.524 4.423
180 H ASP 25 H ASP 25 -0.116 7.197 2.927
181 HA ASP 25 HA ASP 25 -0.245 9.891 2.323
182 HB2 ASP 25 HB2 ASP 25 1.582 8.895 3.541
183 HB3 ASP 25 HB3 ASP 25 2.055 7.956 2.140
184 H ALA 26 H ALA 26 0.413 7.190 0.173
185 HA ALA 26 HA ALA 26 1.127 8.834 -2.039
186 HB1 ALA 26 HB1 ALA 26 1.283 6.783 -3.305
187 HB2 ALA 26 HB2 ALA 26 0.476 5.898 -2.011
188 HB3 ALA 26 HB3 ALA 26 2.072 6.596 -1.739
189 H PHE 27 H PHE 27 -1.925 7.571 -0.866
190 HA PHE 27 HA PHE 27 -3.039 8.330 -3.478
191 HB2 PHE 27 HB2 PHE 27 -3.765 5.925 -1.870
192 HB3 PHE 27 HB3 PHE 27 -4.855 6.592 -3.084
193 HD1 PHE 27 HD1 PHE 27 -2.055 4.456 -2.510
194 HD2 PHE 27 HD2 PHE 27 -3.924 6.946 -5.424
195 HE1 PHE 27 HE1 PHE 27 -0.874 3.296 -4.258
196 HE2 PHE 27 HE2 PHE 27 -2.712 5.778 -7.197
197 HZ PHE 27 HZ PHE 27 -1.174 3.944 -6.625
198 H ALA 28 H ALA 28 -3.812 8.135 -0.076
199 HA ALA 28 HA ALA 28 -6.097 9.885 -0.633
200 HB1 ALA 28 HB1 ALA 28 -6.962 9.186 1.528
201 HB2 ALA 28 HB2 ALA 28 -5.511 8.228 1.821
202 HB3 ALA 28 HB3 ALA 28 -6.618 7.778 0.522
203 H ASN 29 H ASN 29 -3.100 10.308 -0.265
204 HA ASN 29 HA ASN 29 -1.714 11.953 0.374
205 HB2 ASN 29 HB2 ASN 29 -4.263 13.426 1.060
206 HB3 ASN 29 HB3 ASN 29 -2.666 14.158 0.979
207 HD21 ASN 29 HD21 ASN 29 -1.773 14.559 -1.005
208 HD22 ASN 29 HD22 ASN 29 -2.660 14.434 -2.485
209 H GLY 30 H GLY 30 -3.125 10.112 2.500
210 HA2 GLY 30 HA2 GLY 30 -1.505 10.141 4.555
211 HA3 GLY 30 HA3 GLY 30 -2.365 11.643 4.867
212 H ASP 31 H ASP 31 -4.890 10.467 3.754
213 HA ASP 31 HA ASP 31 -5.802 9.405 6.213
214 HB2 ASP 31 HB2 ASP 31 -7.399 10.652 4.937
215 HB3 ASP 31 HB3 ASP 31 -7.193 9.601 3.540
216 H GLN 32 H GLN 32 -5.572 7.451 6.942
217 HA GLN 32 HA GLN 32 -4.751 5.346 5.114
218 HB2 GLN 32 HB2 GLN 32 -5.036 5.170 8.113
219 HB3 GLN 32 HB3 GLN 32 -4.185 4.048 7.063
220 HG2 GLN 32 HG2 GLN 32 -2.616 5.897 6.488
221 HG3 GLN 32 HG3 GLN 32 -3.429 6.878 7.701
222 HE21 GLN 32 HE21 GLN 32 -0.702 6.108 7.624
223 HE22 GLN 32 HE22 GLN 32 -0.366 5.189 9.043
224 H SER 33 H SER 33 -7.635 6.461 6.317
225 HA SER 33 HA SER 33 -8.939 4.024 6.945
226 HB2 SER 33 HB2 SER 33 -10.309 6.510 6.004
227 HB3 SER 33 HB3 SER 33 -10.831 5.359 7.240
228 HG SER 33 HG SER 33 -9.175 7.512 7.342
229 H LYS 34 H LYS 34 -8.416 5.902 4.034
230 HA LYS 34 HA LYS 34 -10.366 4.615 2.415
231 HB2 LYS 34 HB2 LYS 34 -9.312 6.908 2.071
232 HB3 LYS 34 HB3 LYS 34 -7.888 6.068 1.486
233 HG2 LYS 34 HG2 LYS 34 -9.220 6.834 -0.373
234 HG3 LYS 34 HG3 LYS 34 -9.225 5.065 -0.290
235 HD2 LYS 34 HD2 LYS 34 -11.422 5.047 0.695
236 HD3 LYS 34 HD3 LYS 34 -11.412 6.803 0.860
237 HE2 LYS 34 HE2 LYS 34 -11.344 5.292 -1.745
238 HE3 LYS 34 HE3 LYS 34 -12.792 5.991 -1.031
239 HZ1 LYS 34 HZ1 LYS 34 -10.390 7.510 -1.930
240 HZ2 LYS 34 HZ2 LYS 34 -11.740 8.181 -1.192
241 HZ3 LYS 34 HZ3 LYS 34 -11.884 7.472 -2.695
242 H ILE 35 H ILE 35 -7.328 3.731 3.539
243 HA ILE 35 HA ILE 35 -6.942 1.698 1.474
244 HB ILE 35 HB ILE 35 -5.132 2.409 3.806
245 HG12 ILE 35 HG12 ILE 35 -5.239 4.282 2.235
246 HG13 ILE 35 HG13 ILE 35 -3.668 3.498 2.130
247 HG21 ILE 35 HG21 ILE 35 -3.432 1.065 2.617
248 HG22 ILE 35 HG22 ILE 35 -4.640 0.639 1.402
249 HG23 ILE 35 HG23 ILE 35 -4.844 0.105 3.060
250 HD11 ILE 35 HD11 ILE 35 -4.475 4.104 -0.069
251 HD12 ILE 35 HD12 ILE 35 -5.959 3.194 0.197
252 HD13 ILE 35 HD13 ILE 35 -4.416 2.346 0.082
253 H ALA 36 H ALA 36 -7.826 -0.170 1.853
254 HA ALA 36 HA ALA 36 -8.892 -0.751 4.476
255 HB1 ALA 36 HB1 ALA 36 -10.292 -1.101 2.533
256 HB2 ALA 36 HB2 ALA 36 -9.957 -2.646 3.333
257 HB3 ALA 36 HB3 ALA 36 -9.096 -2.205 1.863
258 H LYS 37 H LYS 37 -6.919 -2.476 2.095
259 HA LYS 37 HA LYS 37 -5.744 -4.005 4.320
260 HB2 LYS 37 HB2 LYS 37 -6.201 -5.008 1.500
261 HB3 LYS 37 HB3 LYS 37 -5.613 -5.928 2.863
262 HG2 LYS 37 HG2 LYS 37 -7.761 -5.861 3.917
263 HG3 LYS 37 HG3 LYS 37 -8.364 -4.737 2.690
264 HD2 LYS 37 HD2 LYS 37 -8.004 -6.440 0.963
265 HD3 LYS 37 HD3 LYS 37 -7.430 -7.560 2.193
266 HE2 LYS 37 HE2 LYS 37 -10.198 -6.362 2.069
267 HE3 LYS 37 HE3 LYS 37 -9.768 -7.980 1.529
268 HZ1 LYS 37 HZ1 LYS 37 -9.632 -6.950 4.316
269 HZ2 LYS 37 HZ2 LYS 37 -9.075 -8.459 3.840
270 HZ3 LYS 37 HZ3 LYS 37 -10.718 -8.092 3.701
271 H ALA 38 H ALA 38 -3.599 -4.950 3.627
272 HA ALA 38 HA ALA 38 -2.199 -3.602 1.530
273 HB1 ALA 38 HB1 ALA 38 -0.421 -2.757 2.993
274 HB2 ALA 38 HB2 ALA 38 -1.362 -3.233 4.411
275 HB3 ALA 38 HB3 ALA 38 -1.965 -1.973 3.329
276 H GLU 39 H GLU 39 -0.437 -4.769 0.928
277 HA GLU 39 HA GLU 39 0.331 -7.089 2.523
278 HB2 GLU 39 HB2 GLU 39 -1.423 -7.845 0.971
279 HB3 GLU 39 HB3 GLU 39 -0.550 -7.153 -0.381
280 HG2 GLU 39 HG2 GLU 39 1.273 -8.747 -0.003
281 HG3 GLU 39 HG3 GLU 39 0.374 -9.424 1.352
282 H ASN 40 H ASN 40 2.517 -7.703 2.061
283 HA ASN 40 HA ASN 40 4.083 -5.659 0.809
284 HB2 ASN 40 HB2 ASN 40 5.094 -6.942 2.648
285 HB3 ASN 40 HB3 ASN 40 4.861 -8.443 1.755
286 HD21 ASN 40 HD21 ASN 40 6.765 -5.544 2.011
287 HD22 ASN 40 HD22 ASN 40 8.000 -6.047 0.910
288 H PHE 41 H PHE 41 4.530 -5.530 -1.266
289 HA PHE 41 HA PHE 41 3.378 -7.566 -2.985
290 HB2 PHE 41 HB2 PHE 41 2.875 -5.235 -3.503
291 HB3 PHE 41 HB3 PHE 41 4.586 -4.865 -3.602
292 HD1 PHE 41 HD1 PHE 41 1.789 -6.594 -5.269
293 HD2 PHE 41 HD2 PHE 41 5.847 -5.333 -5.566
294 HE1 PHE 41 HE1 PHE 41 1.773 -7.072 -7.680
295 HE2 PHE 41 HE2 PHE 41 5.853 -5.810 -7.931
296 HZ PHE 41 HZ PHE 41 3.799 -6.676 -9.023
297 H LYS 42 H LYS 42 6.491 -6.109 -2.236
298 HA LYS 42 HA LYS 42 8.044 -8.299 -3.007
299 HB2 LYS 42 HB2 LYS 42 7.190 -7.412 -5.275
300 HB3 LYS 42 HB3 LYS 42 8.031 -5.925 -4.917
301 HG2 LYS 42 HG2 LYS 42 9.296 -7.214 -6.448
302 HG3 LYS 42 HG3 LYS 42 10.143 -7.142 -4.915
303 HD2 LYS 42 HD2 LYS 42 10.337 -9.393 -5.751
304 HD3 LYS 42 HD3 LYS 42 9.210 -9.434 -4.405
305 HE2 LYS 42 HE2 LYS 42 8.146 -9.120 -7.184
306 HE3 LYS 42 HE3 LYS 42 8.689 -10.704 -6.660
307 HZ1 LYS 42 HZ1 LYS 42 6.557 -9.123 -5.245
308 HZ2 LYS 42 HZ2 LYS 42 7.055 -10.707 -4.956
309 HZ3 LYS 42 HZ3 LYS 42 6.328 -10.328 -6.396
310 H ASP 43 H ASP 43 10.471 -7.338 -2.950
311 HA ASP 43 HA ASP 43 10.734 -5.614 -0.743
312 HB2 ASP 43 HB2 ASP 43 12.755 -6.280 -2.926
313 HB3 ASP 43 HB3 ASP 43 13.128 -5.305 -1.522
314 H TYR 44 H TYR 44 10.725 -3.511 -0.581
315 HA TYR 44 HA TYR 44 10.457 -1.321 -1.052
316 HB2 TYR 44 HB2 TYR 44 11.859 -2.085 -3.620
317 HB3 TYR 44 HB3 TYR 44 11.328 -0.442 -3.295
318 HD1 TYR 44 HD1 TYR 44 13.790 -3.014 -2.506
319 HD2 TYR 44 HD2 TYR 44 12.364 0.859 -1.538
320 HE1 TYR 44 HE1 TYR 44 15.863 -2.572 -1.295
321 HE2 TYR 44 HE2 TYR 44 14.428 1.338 -0.317
322 HH TYR 44 HH TYR 44 17.192 -0.609 -0.536
323 H TYR 45 H TYR 45 8.372 -3.423 -1.927
324 HA TYR 45 HA TYR 45 6.709 -1.430 -3.263
325 HB2 TYR 45 HB2 TYR 45 7.096 -4.258 -4.208
326 HB3 TYR 45 HB3 TYR 45 5.710 -3.280 -4.659
327 HD1 TYR 45 HD1 TYR 45 6.114 -1.156 -5.933
328 HD2 TYR 45 HD2 TYR 45 9.143 -4.086 -5.395
329 HE1 TYR 45 HE1 TYR 45 7.337 -0.234 -7.848
330 HE2 TYR 45 HE2 TYR 45 10.379 -3.172 -7.300
331 HH TYR 45 HH TYR 45 9.692 -0.188 -8.659
332 H CYS 46 H CYS 46 4.688 -1.371 -2.627
333 HA CYS 46 HA CYS 46 3.758 -3.467 -0.772
334 HB2 CYS 46 HB2 CYS 46 3.279 -0.488 -0.585
335 HB3 CYS 46 HB3 CYS 46 2.367 -1.676 0.335
336 H ASN 47 H ASN 47 1.746 -4.246 -1.087
337 HA ASN 47 HA ASN 47 0.367 -3.271 -3.460
338 HB2 ASN 47 HB2 ASN 47 0.847 -5.730 -3.280
339 HB3 ASN 47 HB3 ASN 47 -0.142 -5.766 -1.823
340 HD21 ASN 47 HD21 ASN 47 -1.603 -7.193 -2.726
341 HD22 ASN 47 HD22 ASN 47 -2.730 -6.708 -3.934
342 H CYS 48 H CYS 48 -0.993 -1.747 -3.017
343 HA CYS 48 HA CYS 48 -2.167 -1.511 -0.376
344 HB2 CYS 48 HB2 CYS 48 -2.254 0.302 -2.772
345 HB3 CYS 48 HB3 CYS 48 -2.756 0.697 -1.130
346 H HIS 49 H HIS 49 -4.348 -1.770 -0.020
347 HA HIS 49 HA HIS 49 -5.921 -2.478 -2.372
348 HB2 HIS 49 HB2 HIS 49 -6.283 -3.217 0.522
349 HB3 HIS 49 HB3 HIS 49 -7.408 -3.669 -0.757
350 HD1 HIS 49 HD3 HIS 49 -7.028 -6.012 -1.618
351 HD2 HIS 49 HD2 HIS 49 -3.569 -4.335 -0.048
352 HE1 HIS 49 HE1 HIS 49 -5.318 -7.828 -1.654
353 H ILE 50 H ILE 50 -6.610 -0.597 -2.927
354 HA ILE 50 HA ILE 50 -7.370 1.386 -0.946
355 HB ILE 50 HB ILE 50 -7.551 1.689 -3.944
356 HG12 ILE 50 HG12 ILE 50 -5.102 2.245 -2.249
357 HG13 ILE 50 HG13 ILE 50 -5.274 0.826 -3.274
358 HG21 ILE 50 HG21 ILE 50 -8.556 3.420 -2.521
359 HG22 ILE 50 HG22 ILE 50 -7.114 4.049 -3.346
360 HG23 ILE 50 HG23 ILE 50 -7.026 3.556 -1.650
361 HD11 ILE 50 HD11 ILE 50 -3.944 2.543 -4.345
362 HD12 ILE 50 HD12 ILE 50 -5.283 3.684 -4.206
363 HD13 ILE 50 HD13 ILE 50 -5.439 2.256 -5.233
364 H ILE 51 H ILE 51 -9.467 1.936 -0.538
365 HA ILE 51 HA ILE 51 -11.536 0.268 -1.558
366 HB ILE 51 HB ILE 51 -11.727 2.820 0.084
367 HG12 ILE 51 HG12 ILE 51 -11.850 -0.085 0.942
368 HG13 ILE 51 HG13 ILE 51 -10.466 0.976 1.167
369 HG21 ILE 51 HG21 ILE 51 -13.999 2.068 0.629
370 HG22 ILE 51 HG22 ILE 51 -13.805 0.681 -0.441
371 HG23 ILE 51 HG23 ILE 51 -13.820 2.313 -1.108
372 HD11 ILE 51 HD11 ILE 51 -11.735 0.729 3.217
373 HD12 ILE 51 HD12 ILE 51 -13.185 1.315 2.405
374 HD13 ILE 51 HD13 ILE 51 -11.810 2.393 2.638
375 H ILE 52 H ILE 52 -12.365 0.483 -3.447
376 HA ILE 52 HA ILE 52 -12.198 3.061 -4.832
377 HB ILE 52 HB ILE 52 -12.486 0.244 -5.885
378 HG12 ILE 52 HG12 ILE 52 -10.238 0.708 -5.106
379 HG13 ILE 52 HG13 ILE 52 -10.254 0.621 -6.862
380 HG21 ILE 52 HG21 ILE 52 -12.231 1.189 -8.130
381 HG22 ILE 52 HG22 ILE 52 -12.361 2.811 -7.435
382 HG23 ILE 52 HG23 ILE 52 -13.724 1.700 -7.339
383 HD11 ILE 52 HD11 ILE 52 -10.139 3.133 -5.196
384 HD12 ILE 52 HD12 ILE 52 -10.213 3.080 -6.956
385 HD13 ILE 52 HD13 ILE 52 -8.818 2.409 -6.111
386 H HIS 53 H HIS 53 -14.386 0.584 -3.726
387 HA HIS 53 HA HIS 53 -16.598 2.288 -4.431
388 HB2 HIS 53 HB2 HIS 53 -16.185 0.598 -6.305
389 HB3 HIS 53 HB3 HIS 53 -16.579 -0.656 -5.138
390 HD1 HIS 53 HD3 HIS 53 -19.060 -1.090 -4.712
391 HD2 HIS 53 HD2 HIS 53 -18.319 2.284 -7.009
392 HE1 HIS 53 HE1 HIS 53 -21.311 -0.349 -5.599
Start of MODEL 15
1 H1 GLU 1 1HT GLU 1 -10.516 -6.751 -3.313
2 H2 GLU 1 2HT GLU 1 -11.740 -7.783 -2.818
3 H3 GLU 1 3HT GLU 1 -11.520 -6.274 -2.052
4 HA GLU 1 HA GLU 1 -12.331 -6.594 -4.867
5 HB2 GLU 1 HB2 GLU 1 -13.900 -5.942 -2.382
6 HB3 GLU 1 HB3 GLU 1 -14.506 -5.692 -4.016
7 HG2 GLU 1 HG2 GLU 1 -14.094 -8.059 -4.446
8 HG3 GLU 1 HG3 GLU 1 -13.710 -8.272 -2.746
9 H GLU 2 H GLU 2 -10.170 -5.106 -3.889
10 HA GLU 2 HA GLU 2 -11.179 -2.352 -4.021
11 HB2 GLU 2 HB2 GLU 2 -8.705 -3.333 -2.567
12 HB3 GLU 2 HB3 GLU 2 -9.285 -1.683 -2.628
13 HG2 GLU 2 HG2 GLU 2 -9.799 -2.517 -0.464
14 HG3 GLU 2 HG3 GLU 2 -11.319 -2.472 -1.348
15 H THR 3 H THR 3 -9.373 -0.910 -4.876
16 HA THR 3 HA THR 3 -8.195 -2.156 -7.175
17 HB THR 3 HB THR 3 -7.825 0.626 -6.069
18 HG1 THR 3 HG1 THR 3 -9.704 1.064 -6.981
19 HG21 THR 3 HG21 THR 3 -7.317 -0.449 -8.854
20 HG22 THR 3 HG22 THR 3 -6.075 -0.061 -7.672
21 HG23 THR 3 HG23 THR 3 -7.085 1.221 -8.338
22 H GLU 4 H GLU 4 -6.474 -3.306 -6.902
23 HA GLU 4 HA GLU 4 -4.738 -2.896 -4.646
24 HB2 GLU 4 HB2 GLU 4 -4.812 -5.006 -6.784
25 HB3 GLU 4 HB3 GLU 4 -3.590 -4.946 -5.519
26 HG2 GLU 4 HG2 GLU 4 -5.306 -5.152 -3.816
27 HG3 GLU 4 HG3 GLU 4 -6.553 -5.148 -5.060
28 H GLU 5 H GLU 5 -3.430 -1.364 -4.799
29 HA GLU 5 HA GLU 5 -2.039 -0.754 -7.311
30 HB2 GLU 5 HB2 GLU 5 -2.685 0.858 -4.870
31 HB3 GLU 5 HB3 GLU 5 -1.549 1.428 -6.073
32 HG2 GLU 5 HG2 GLU 5 -4.419 0.714 -6.599
33 HG3 GLU 5 HG3 GLU 5 -3.812 2.349 -6.335
34 HA PRO 6 HA PRO 6 1.514 -2.288 -4.897
35 HB2 PRO 6 HB2 PRO 6 2.800 -2.542 -7.490
36 HB3 PRO 6 HB3 PRO 6 2.449 -3.805 -6.308
37 HG2 PRO 6 HG2 PRO 6 1.159 -3.645 -8.698
38 HG3 PRO 6 HG3 PRO 6 0.393 -4.293 -7.237
39 HD2 PRO 6 HD2 PRO 6 0.125 -1.582 -8.479
40 HD3 PRO 6 HD3 PRO 6 -1.122 -2.622 -7.756
41 H ILE 7 H ILE 7 2.375 -0.562 -4.071
42 HA ILE 7 HA ILE 7 3.285 1.639 -5.783
43 HB ILE 7 HB ILE 7 3.254 3.083 -3.794
44 HG12 ILE 7 HG12 ILE 7 2.337 0.739 -2.168
45 HG13 ILE 7 HG13 ILE 7 4.060 1.089 -2.308
46 HG21 ILE 7 HG21 ILE 7 0.836 1.381 -3.978
47 HG22 ILE 7 HG22 ILE 7 1.208 2.843 -4.908
48 HG23 ILE 7 HG23 ILE 7 0.993 2.925 -3.148
49 HD11 ILE 7 HD11 ILE 7 3.141 2.043 -0.308
50 HD12 ILE 7 HD12 ILE 7 1.943 2.937 -1.278
51 HD13 ILE 7 HD13 ILE 7 3.673 3.289 -1.449
52 H ARG 8 H ARG 8 5.284 2.651 -5.273
53 HA ARG 8 HA ARG 8 7.393 0.715 -4.711
54 HB2 ARG 8 HB2 ARG 8 7.659 3.624 -5.535
55 HB3 ARG 8 HB3 ARG 8 8.921 2.407 -5.530
56 HG2 ARG 8 HG2 ARG 8 7.774 1.190 -7.284
57 HG3 ARG 8 HG3 ARG 8 6.513 2.435 -7.314
58 HD2 ARG 8 HD2 ARG 8 9.443 2.834 -7.900
59 HD3 ARG 8 HD3 ARG 8 8.154 2.760 -9.097
60 HE ARG 8 HE ARG 8 7.493 4.774 -7.312
61 HH11 ARG 8 HH11 ARG 8 10.000 4.115 -9.738
62 HH12 ARG 8 HH12 ARG 8 10.359 5.763 -10.000
63 HH21 ARG 8 HH21 ARG 8 8.003 7.060 -7.718
64 HH22 ARG 8 HH22 ARG 8 9.224 7.424 -8.854
65 H HIS 9 H HIS 9 8.127 0.547 -2.695
66 HA HIS 9 HA HIS 9 7.842 2.866 -0.896
67 HB2 HIS 9 HB2 HIS 9 6.428 0.819 -0.390
68 HB3 HIS 9 HB3 HIS 9 7.921 -0.070 -0.143
69 HD1 HIS 9 HD3 HIS 9 9.425 0.853 1.954
70 HD2 HIS 9 HD2 HIS 9 5.487 2.124 1.761
71 HE1 HIS 9 HE1 HIS 9 8.872 1.739 4.242
72 H ALA 10 H ALA 10 9.675 3.406 0.334
73 HA ALA 10 HA ALA 10 12.145 2.212 -0.610
74 HB1 ALA 10 HB1 ALA 10 13.285 4.111 0.422
75 HB2 ALA 10 HB2 ALA 10 11.763 4.663 1.121
76 HB3 ALA 10 HB3 ALA 10 11.985 4.674 -0.629
77 H LYS 11 H LYS 11 11.720 0.284 0.430
78 HA LYS 11 HA LYS 11 13.143 -0.158 2.801
79 HB2 LYS 11 HB2 LYS 11 11.010 0.734 3.796
80 HB3 LYS 11 HB3 LYS 11 10.122 -0.492 2.925
81 HG2 LYS 11 HG2 LYS 11 10.276 -1.132 5.203
82 HG3 LYS 11 HG3 LYS 11 11.300 -2.217 4.264
83 HD2 LYS 11 HD2 LYS 11 13.268 -1.008 4.971
84 HD3 LYS 11 HD3 LYS 11 12.271 0.186 5.802
85 HE2 LYS 11 HE2 LYS 11 12.395 -2.757 6.470
86 HE3 LYS 11 HE3 LYS 11 13.233 -1.482 7.350
87 HZ1 LYS 11 HZ1 LYS 11 10.243 -1.660 7.105
88 HZ2 LYS 11 HZ2 LYS 11 11.087 -0.580 8.044
89 HZ3 LYS 11 HZ3 LYS 11 11.144 -2.227 8.382
90 H LYS 12 H LYS 12 13.867 -2.265 2.423
91 HA LYS 12 HA LYS 12 13.043 -3.570 0.052
92 HB2 LYS 12 HB2 LYS 12 15.299 -3.893 1.024
93 HB3 LYS 12 HB3 LYS 12 14.581 -4.761 2.372
94 HG2 LYS 12 HG2 LYS 12 13.798 -6.502 0.855
95 HG3 LYS 12 HG3 LYS 12 14.493 -5.631 -0.511
96 HD2 LYS 12 HD2 LYS 12 16.707 -5.841 0.488
97 HD3 LYS 12 HD3 LYS 12 16.023 -6.721 1.850
98 HE2 LYS 12 HE2 LYS 12 15.976 -7.605 -1.037
99 HE3 LYS 12 HE3 LYS 12 17.043 -8.235 0.212
100 HZ1 LYS 12 HZ1 LYS 12 14.082 -8.518 0.067
101 HZ2 LYS 12 HZ2 LYS 12 15.009 -8.965 1.413
102 HZ3 LYS 12 HZ3 LYS 12 15.242 -9.738 -0.055
103 H ASN 13 H ASN 13 12.452 -4.272 3.427
104 HA ASN 13 HA ASN 13 10.104 -5.805 2.586
105 HB2 ASN 13 HB2 ASN 13 11.767 -7.317 3.577
106 HB3 ASN 13 HB3 ASN 13 11.842 -6.310 5.016
107 HD21 ASN 13 HD21 ASN 13 9.909 -8.547 3.196
108 HD22 ASN 13 HD22 ASN 13 8.798 -8.929 4.473
109 HA PRO 14 HA PRO 14 8.578 -2.372 5.115
110 HB2 PRO 14 HB2 PRO 14 6.305 -2.333 3.323
111 HB3 PRO 14 HB3 PRO 14 7.503 -1.069 3.603
112 HG2 PRO 14 HG2 PRO 14 7.294 -2.478 1.266
113 HG3 PRO 14 HG3 PRO 14 8.793 -1.730 1.831
114 HD2 PRO 14 HD2 PRO 14 7.924 -4.573 1.962
115 HD3 PRO 14 HD3 PRO 14 9.535 -3.897 1.660
116 H SER 15 H SER 15 7.269 -2.599 6.713
117 HA SER 15 HA SER 15 5.791 -5.035 7.092
118 HB2 SER 15 HB2 SER 15 5.992 -2.549 8.806
119 HB3 SER 15 HB3 SER 15 5.362 -4.113 9.318
120 HG SER 15 HG SER 15 7.975 -3.739 8.312
121 H GLU 16 H GLU 16 3.486 -4.921 7.781
122 HA GLU 16 HA GLU 16 1.803 -3.900 5.875
123 HB2 GLU 16 HB2 GLU 16 -0.026 -4.268 7.550
124 HB3 GLU 16 HB3 GLU 16 1.040 -5.641 7.291
125 HG2 GLU 16 HG2 GLU 16 2.214 -5.168 9.338
126 HG3 GLU 16 HG3 GLU 16 1.267 -3.703 9.574
127 H GLY 17 H GLY 17 2.571 -2.376 9.016
128 HA2 GLY 17 HA2 GLY 17 0.750 -0.235 8.710
129 HA3 GLY 17 HA3 GLY 17 2.096 -0.297 9.836
130 H GLU 18 H GLU 18 4.136 -0.659 7.920
131 HA GLU 18 HA GLU 18 4.695 2.022 7.249
132 HB2 GLU 18 HB2 GLU 18 5.939 -0.484 6.066
133 HB3 GLU 18 HB3 GLU 18 6.617 1.133 5.979
134 HG2 GLU 18 HG2 GLU 18 6.831 1.140 8.438
135 HG3 GLU 18 HG3 GLU 18 6.233 -0.515 8.474
136 H CYS 19 H CYS 19 3.715 -0.750 5.288
137 HA CYS 19 HA CYS 19 3.412 0.571 2.859
138 HB2 CYS 19 HB2 CYS 19 1.919 -1.852 3.915
139 HB3 CYS 19 HB3 CYS 19 1.846 -1.276 2.274
140 H LYS 20 H LYS 20 0.930 -0.178 5.300
141 HA LYS 20 HA LYS 20 -1.343 0.833 4.118
142 HB2 LYS 20 HB2 LYS 20 -1.118 -0.504 6.218
143 HB3 LYS 20 HB3 LYS 20 -0.559 0.932 7.033
144 HG2 LYS 20 HG2 LYS 20 -2.814 0.521 7.658
145 HG3 LYS 20 HG3 LYS 20 -2.799 1.951 6.627
146 HD2 LYS 20 HD2 LYS 20 -3.833 0.840 4.875
147 HD3 LYS 20 HD3 LYS 20 -3.298 -0.746 5.432
148 HE2 LYS 20 HE2 LYS 20 -5.709 -0.480 5.791
149 HE3 LYS 20 HE3 LYS 20 -4.854 -0.619 7.318
150 HZ1 LYS 20 HZ1 LYS 20 -5.052 1.838 7.548
151 HZ2 LYS 20 HZ2 LYS 20 -6.509 1.022 7.474
152 HZ3 LYS 20 HZ3 LYS 20 -6.019 1.862 6.143
153 H LYS 21 H LYS 21 0.987 2.481 6.167
154 HA LYS 21 HA LYS 21 -0.359 4.964 6.268
155 HB2 LYS 21 HB2 LYS 21 1.245 3.923 7.887
156 HB3 LYS 21 HB3 LYS 21 2.536 4.392 6.805
157 HG2 LYS 21 HG2 LYS 21 2.059 6.720 7.146
158 HG3 LYS 21 HG3 LYS 21 0.610 6.322 8.076
159 HD2 LYS 21 HD2 LYS 21 3.412 5.530 8.839
160 HD3 LYS 21 HD3 LYS 21 2.551 6.919 9.518
161 HE2 LYS 21 HE2 LYS 21 0.839 5.378 10.407
162 HE3 LYS 21 HE3 LYS 21 1.710 4.010 9.729
163 HZ1 LYS 21 HZ1 LYS 21 2.810 5.848 11.767
164 HZ2 LYS 21 HZ2 LYS 21 3.524 4.406 11.201
165 HZ3 LYS 21 HZ3 LYS 21 2.119 4.349 12.095
166 H ALA 22 H ALA 22 2.336 3.702 4.291
167 HA ALA 22 HA ALA 22 2.853 6.141 2.932
168 HB1 ALA 22 HB1 ALA 22 3.388 3.307 2.037
169 HB2 ALA 22 HB2 ALA 22 4.498 4.327 2.958
170 HB3 ALA 22 HB3 ALA 22 4.068 4.758 1.305
171 H CYS 23 H CYS 23 0.878 3.317 2.187
172 HA CYS 23 HA CYS 23 -0.135 4.017 -0.301
173 HB2 CYS 23 HB2 CYS 23 -1.517 2.615 1.987
174 HB3 CYS 23 HB3 CYS 23 -2.123 2.637 0.340
175 H ALA 24 H ALA 24 -1.196 4.888 2.931
176 HA ALA 24 HA ALA 24 -3.447 6.369 2.278
177 HB1 ALA 24 HB1 ALA 24 -3.164 7.379 4.462
178 HB2 ALA 24 HB2 ALA 24 -1.501 6.785 4.512
179 HB3 ALA 24 HB3 ALA 24 -2.838 5.643 4.519
180 H ASP 25 H ASP 25 -0.170 7.608 3.034
181 HA ASP 25 HA ASP 25 -0.655 10.280 2.400
182 HB2 ASP 25 HB2 ASP 25 1.874 8.689 2.496
183 HB3 ASP 25 HB3 ASP 25 1.911 10.316 1.834
184 H ALA 26 H ALA 26 0.461 7.723 0.280
185 HA ALA 26 HA ALA 26 0.878 9.514 -1.897
186 HB1 ALA 26 HB1 ALA 26 1.396 7.545 -3.198
187 HB2 ALA 26 HB2 ALA 26 0.746 6.508 -1.927
188 HB3 ALA 26 HB3 ALA 26 2.193 7.468 -1.627
189 H PHE 27 H PHE 27 -1.977 8.042 -0.681
190 HA PHE 27 HA PHE 27 -3.166 8.422 -3.339
191 HB2 PHE 27 HB2 PHE 27 -3.596 6.160 -1.446
192 HB3 PHE 27 HB3 PHE 27 -4.864 6.609 -2.585
193 HD1 PHE 27 HD1 PHE 27 -4.410 6.570 -4.988
194 HD2 PHE 27 HD2 PHE 27 -1.609 4.940 -2.202
195 HE1 PHE 27 HE1 PHE 27 -3.335 5.342 -6.782
196 HE2 PHE 27 HE2 PHE 27 -0.561 3.706 -3.996
197 HZ PHE 27 HZ PHE 27 -1.398 3.891 -6.303
198 H ALA 28 H ALA 28 -3.985 8.378 0.098
199 HA ALA 28 HA ALA 28 -6.307 10.041 -0.548
200 HB1 ALA 28 HB1 ALA 28 -5.816 8.329 1.882
201 HB2 ALA 28 HB2 ALA 28 -6.812 7.892 0.492
202 HB3 ALA 28 HB3 ALA 28 -7.284 9.243 1.522
203 H ASN 29 H ASN 29 -3.408 10.691 -0.025
204 HA ASN 29 HA ASN 29 -2.221 12.457 0.741
205 HB2 ASN 29 HB2 ASN 29 -4.953 13.516 1.435
206 HB3 ASN 29 HB3 ASN 29 -3.489 14.416 1.803
207 HD21 ASN 29 HD21 ASN 29 -4.084 16.067 0.455
208 HD22 ASN 29 HD22 ASN 29 -4.040 15.934 -1.266
209 H GLY 30 H GLY 30 -3.285 10.242 2.624
210 HA2 GLY 30 HA2 GLY 30 -1.711 10.121 4.626
211 HA3 GLY 30 HA3 GLY 30 -2.496 11.622 5.102
212 H ASP 31 H ASP 31 -5.079 10.584 3.960
213 HA ASP 31 HA ASP 31 -6.008 9.356 6.326
214 HB2 ASP 31 HB2 ASP 31 -7.599 10.607 5.005
215 HB3 ASP 31 HB3 ASP 31 -7.341 9.547 3.618
216 H GLN 32 H GLN 32 -5.736 7.406 6.960
217 HA GLN 32 HA GLN 32 -4.742 5.395 5.128
218 HB2 GLN 32 HB2 GLN 32 -5.201 5.220 8.107
219 HB3 GLN 32 HB3 GLN 32 -4.268 4.106 7.123
220 HG2 GLN 32 HG2 GLN 32 -2.615 5.833 6.683
221 HG3 GLN 32 HG3 GLN 32 -3.572 7.004 7.583
222 HE21 GLN 32 HE21 GLN 32 -1.410 4.307 7.793
223 HE22 GLN 32 HE22 GLN 32 -1.198 4.366 9.496
224 H SER 33 H SER 33 -7.749 6.409 5.872
225 HA SER 33 HA SER 33 -9.001 3.909 6.568
226 HB2 SER 33 HB2 SER 33 -10.336 6.485 5.795
227 HB3 SER 33 HB3 SER 33 -10.941 5.221 6.873
228 HG SER 33 HG SER 33 -9.261 7.325 7.318
229 H LYS 34 H LYS 34 -8.537 5.934 3.760
230 HA LYS 34 HA LYS 34 -10.385 4.684 1.986
231 HB2 LYS 34 HB2 LYS 34 -9.443 6.927 1.606
232 HB3 LYS 34 HB3 LYS 34 -7.844 6.238 1.462
233 HG2 LYS 34 HG2 LYS 34 -8.726 6.889 -0.707
234 HG3 LYS 34 HG3 LYS 34 -8.493 5.147 -0.624
235 HD2 LYS 34 HD2 LYS 34 -10.858 4.790 -0.339
236 HD3 LYS 34 HD3 LYS 34 -11.147 6.527 -0.195
237 HE2 LYS 34 HE2 LYS 34 -10.462 6.879 -2.473
238 HE3 LYS 34 HE3 LYS 34 -9.991 5.194 -2.648
239 HZ1 LYS 34 HZ1 LYS 34 -12.166 5.696 -3.648
240 HZ2 LYS 34 HZ2 LYS 34 -12.770 6.124 -2.143
241 HZ3 LYS 34 HZ3 LYS 34 -12.278 4.552 -2.434
242 H ILE 35 H ILE 35 -7.438 3.730 3.277
243 HA ILE 35 HA ILE 35 -6.908 1.755 1.174
244 HB ILE 35 HB ILE 35 -5.158 2.514 3.535
245 HG12 ILE 35 HG12 ILE 35 -5.404 4.487 2.118
246 HG13 ILE 35 HG13 ILE 35 -3.784 3.826 1.949
247 HG21 ILE 35 HG21 ILE 35 -3.369 1.410 2.268
248 HG22 ILE 35 HG22 ILE 35 -4.524 1.001 1.003
249 HG23 ILE 35 HG23 ILE 35 -4.702 0.306 2.614
250 HD11 ILE 35 HD11 ILE 35 -4.677 4.557 -0.187
251 HD12 ILE 35 HD12 ILE 35 -6.057 3.471 0.008
252 HD13 ILE 35 HD13 ILE 35 -4.434 2.809 -0.175
253 H ALA 36 H ALA 36 -8.037 -0.028 1.637
254 HA ALA 36 HA ALA 36 -9.082 -0.673 4.207
255 HB1 ALA 36 HB1 ALA 36 -9.757 -2.799 3.219
256 HB2 ALA 36 HB2 ALA 36 -8.739 -2.481 1.814
257 HB3 ALA 36 HB3 ALA 36 -10.135 -1.455 2.143
258 H LYS 37 H LYS 37 -6.425 -1.965 2.336
259 HA LYS 37 HA LYS 37 -5.083 -2.843 4.721
260 HB2 LYS 37 HB2 LYS 37 -6.557 -4.766 4.095
261 HB3 LYS 37 HB3 LYS 37 -5.844 -4.766 2.492
262 HG2 LYS 37 HG2 LYS 37 -3.648 -5.297 3.516
263 HG3 LYS 37 HG3 LYS 37 -4.443 -5.376 5.088
264 HD2 LYS 37 HD2 LYS 37 -5.838 -7.201 4.307
265 HD3 LYS 37 HD3 LYS 37 -5.094 -7.104 2.709
266 HE2 LYS 37 HE2 LYS 37 -2.923 -7.673 3.679
267 HE3 LYS 37 HE3 LYS 37 -3.650 -7.738 5.281
268 HZ1 LYS 37 HZ1 LYS 37 -4.351 -9.493 3.000
269 HZ2 LYS 37 HZ2 LYS 37 -5.050 -9.547 4.527
270 HZ3 LYS 37 HZ3 LYS 37 -3.431 -9.952 4.342
271 H ALA 38 H ALA 38 -2.873 -3.368 4.171
272 HA ALA 38 HA ALA 38 -2.063 -2.963 1.444
273 HB1 ALA 38 HB1 ALA 38 -1.835 -0.786 2.465
274 HB2 ALA 38 HB2 ALA 38 -0.265 -1.478 2.073
275 HB3 ALA 38 HB3 ALA 38 -0.833 -1.465 3.754
276 H GLU 39 H GLU 39 -0.705 -4.422 0.924
277 HA GLU 39 HA GLU 39 0.356 -6.185 3.036
278 HB2 GLU 39 HB2 GLU 39 -1.563 -7.136 1.842
279 HB3 GLU 39 HB3 GLU 39 -0.773 -6.844 0.308
280 HG2 GLU 39 HG2 GLU 39 -0.683 -9.185 0.945
281 HG3 GLU 39 HG3 GLU 39 0.929 -8.479 0.855
282 H ASN 40 H ASN 40 2.365 -7.206 2.509
283 HA ASN 40 HA ASN 40 4.158 -5.661 0.910
284 HB2 ASN 40 HB2 ASN 40 5.062 -6.890 2.795
285 HB3 ASN 40 HB3 ASN 40 4.449 -8.411 2.158
286 HD21 ASN 40 HD21 ASN 40 6.817 -5.965 1.841
287 HD22 ASN 40 HD22 ASN 40 7.901 -6.825 0.793
288 H PHE 41 H PHE 41 4.270 -5.731 -1.193
289 HA PHE 41 HA PHE 41 2.836 -7.828 -2.607
290 HB2 PHE 41 HB2 PHE 41 2.423 -5.472 -3.227
291 HB3 PHE 41 HB3 PHE 41 4.120 -5.288 -3.610
292 HD1 PHE 41 HD1 PHE 41 1.196 -7.404 -4.566
293 HD2 PHE 41 HD2 PHE 41 4.831 -5.548 -5.791
294 HE1 PHE 41 HE1 PHE 41 0.792 -8.127 -6.872
295 HE2 PHE 41 HE2 PHE 41 4.427 -6.275 -8.100
296 HZ PHE 41 HZ PHE 41 2.405 -7.567 -8.644
297 H LYS 42 H LYS 42 6.049 -6.420 -2.365
298 HA LYS 42 HA LYS 42 7.383 -8.711 -3.368
299 HB2 LYS 42 HB2 LYS 42 6.303 -7.599 -5.416
300 HB3 LYS 42 HB3 LYS 42 7.274 -6.196 -5.064
301 HG2 LYS 42 HG2 LYS 42 9.288 -7.404 -5.543
302 HG3 LYS 42 HG3 LYS 42 8.370 -8.897 -5.764
303 HD2 LYS 42 HD2 LYS 42 7.107 -7.823 -7.593
304 HD3 LYS 42 HD3 LYS 42 8.100 -6.380 -7.403
305 HE2 LYS 42 HE2 LYS 42 10.087 -7.678 -7.969
306 HE3 LYS 42 HE3 LYS 42 9.089 -9.123 -8.137
307 HZ1 LYS 42 HZ1 LYS 42 7.934 -8.118 -9.962
308 HZ2 LYS 42 HZ2 LYS 42 9.571 -8.035 -10.292
309 HZ3 LYS 42 HZ3 LYS 42 8.741 -6.668 -9.776
310 H ASP 43 H ASP 43 9.781 -7.922 -3.536
311 HA ASP 43 HA ASP 43 10.466 -6.385 -1.277
312 HB2 ASP 43 HB2 ASP 43 12.154 -7.079 -3.713
313 HB3 ASP 43 HB3 ASP 43 12.778 -6.242 -2.307
314 H TYR 44 H TYR 44 10.428 -4.330 -0.954
315 HA TYR 44 HA TYR 44 10.340 -2.109 -1.194
316 HB2 TYR 44 HB2 TYR 44 11.458 -2.677 -3.937
317 HB3 TYR 44 HB3 TYR 44 11.078 -1.045 -3.403
318 HD1 TYR 44 HD1 TYR 44 13.365 -3.872 -3.037
319 HD2 TYR 44 HD2 TYR 44 12.357 0.004 -1.656
320 HE1 TYR 44 HE1 TYR 44 15.554 -3.706 -1.949
321 HE2 TYR 44 HE2 TYR 44 14.525 0.201 -0.567
322 HH TYR 44 HH TYR 44 17.075 -1.863 -1.214
323 H TYR 45 H TYR 45 8.086 -4.005 -2.223
324 HA TYR 45 HA TYR 45 6.493 -1.778 -3.294
325 HB2 TYR 45 HB2 TYR 45 6.519 -4.593 -4.344
326 HB3 TYR 45 HB3 TYR 45 5.234 -3.447 -4.688
327 HD1 TYR 45 HD1 TYR 45 8.641 -4.444 -5.480
328 HD2 TYR 45 HD2 TYR 45 5.688 -1.439 -5.986
329 HE1 TYR 45 HE1 TYR 45 9.933 -3.483 -7.327
330 HE2 TYR 45 HE2 TYR 45 6.942 -0.486 -7.834
331 HH TYR 45 HH TYR 45 9.547 -2.052 -9.336
332 H CYS 46 H CYS 46 4.610 -1.499 -2.551
333 HA CYS 46 HA CYS 46 3.523 -3.494 -0.679
334 HB2 CYS 46 HB2 CYS 46 3.301 -0.485 -0.580
335 HB3 CYS 46 HB3 CYS 46 2.408 -1.591 0.457
336 H ASN 47 H ASN 47 1.472 -4.123 -1.000
337 HA ASN 47 HA ASN 47 0.155 -3.064 -3.386
338 HB2 ASN 47 HB2 ASN 47 0.519 -5.547 -3.228
339 HB3 ASN 47 HB3 ASN 47 -0.496 -5.559 -1.792
340 HD21 ASN 47 HD21 ASN 47 -2.733 -5.523 -2.048
341 HD22 ASN 47 HD22 ASN 47 -3.445 -5.608 -3.602
342 H CYS 48 H CYS 48 -0.971 -1.392 -2.878
343 HA CYS 48 HA CYS 48 -2.301 -1.116 -0.339
344 HB2 CYS 48 HB2 CYS 48 -2.315 0.709 -2.748
345 HB3 CYS 48 HB3 CYS 48 -2.734 1.102 -1.080
346 H HIS 49 H HIS 49 -4.504 -1.193 -0.066
347 HA HIS 49 HA HIS 49 -6.033 -2.136 -2.367
348 HB2 HIS 49 HB2 HIS 49 -6.480 -2.529 0.610
349 HB3 HIS 49 HB3 HIS 49 -7.636 -3.006 -0.626
350 HD1 HIS 49 HD3 HIS 49 -7.509 -5.434 -1.102
351 HD2 HIS 49 HD2 HIS 49 -3.827 -3.854 0.030
352 HE1 HIS 49 HE1 HIS 49 -5.880 -7.370 -1.145
353 H ILE 50 H ILE 50 -6.729 -0.322 -3.224
354 HA ILE 50 HA ILE 50 -7.588 1.855 -1.521
355 HB ILE 50 HB ILE 50 -8.095 1.891 -4.476
356 HG12 ILE 50 HG12 ILE 50 -5.766 0.991 -4.338
357 HG13 ILE 50 HG13 ILE 50 -5.818 2.606 -5.014
358 HG21 ILE 50 HG21 ILE 50 -8.760 3.715 -3.069
359 HG22 ILE 50 HG22 ILE 50 -7.454 4.252 -4.151
360 HG23 ILE 50 HG23 ILE 50 -7.112 3.851 -2.457
361 HD11 ILE 50 HD11 ILE 50 -5.059 3.505 -2.860
362 HD12 ILE 50 HD12 ILE 50 -3.932 2.330 -3.542
363 HD13 ILE 50 HD13 ILE 50 -4.997 1.861 -2.215
364 H ILE 51 H ILE 51 -9.568 1.751 -0.694
365 HA ILE 51 HA ILE 51 -11.513 -0.119 -1.504
366 HB ILE 51 HB ILE 51 -11.911 2.387 0.169
367 HG12 ILE 51 HG12 ILE 51 -11.401 -0.461 0.995
368 HG13 ILE 51 HG13 ILE 51 -10.194 0.823 1.043
369 HG21 ILE 51 HG21 ILE 51 -13.888 1.213 1.054
370 HG22 ILE 51 HG22 ILE 51 -13.595 -0.114 -0.069
371 HG23 ILE 51 HG23 ILE 51 -14.027 1.478 -0.686
372 HD11 ILE 51 HD11 ILE 51 -11.125 0.387 3.250
373 HD12 ILE 51 HD12 ILE 51 -12.748 0.717 2.639
374 HD13 ILE 51 HD13 ILE 51 -11.545 2.007 2.696
375 H ILE 52 H ILE 52 -12.965 -0.060 -3.045
376 HA ILE 52 HA ILE 52 -13.155 2.274 -4.750
377 HB ILE 52 HB ILE 52 -14.469 -0.456 -4.967
378 HG12 ILE 52 HG12 ILE 52 -12.054 0.646 -6.428
379 HG13 ILE 52 HG13 ILE 52 -11.979 -0.482 -5.085
380 HG21 ILE 52 HG21 ILE 52 -15.742 1.210 -6.188
381 HG22 ILE 52 HG22 ILE 52 -14.877 0.182 -7.336
382 HG23 ILE 52 HG23 ILE 52 -14.277 1.799 -6.968
383 HD11 ILE 52 HD11 ILE 52 -13.139 -2.154 -6.420
384 HD12 ILE 52 HD12 ILE 52 -11.684 -1.588 -7.242
385 HD13 ILE 52 HD13 ILE 52 -13.273 -1.008 -7.751
386 H HIS 53 H HIS 53 -15.278 0.199 -2.860
387 HA HIS 53 HA HIS 53 -17.073 2.432 -2.431
388 HB2 HIS 53 HB2 HIS 53 -17.942 0.997 -4.340
389 HB3 HIS 53 HB3 HIS 53 -18.019 -0.346 -3.206
390 HD1 HIS 53 HD3 HIS 53 -20.065 -0.417 -1.617
391 HD2 HIS 53 HD2 HIS 53 -19.810 3.049 -3.893
392 HE1 HIS 53 HE1 HIS 53 -22.251 0.783 -1.296
Start of MODEL 16
1 H1 GLU 1 1HT GLU 1 -13.045 -5.290 -3.760
2 H2 GLU 1 2HT GLU 1 -14.244 -5.734 -2.684
3 H3 GLU 1 3HT GLU 1 -12.830 -5.035 -2.095
4 HA GLU 1 HA GLU 1 -14.923 -3.711 -3.757
5 HB2 GLU 1 HB2 GLU 1 -13.840 -2.924 -1.052
6 HB3 GLU 1 HB3 GLU 1 -15.269 -2.305 -1.853
7 HG2 GLU 1 HG2 GLU 1 -14.954 -5.095 -0.791
8 HG3 GLU 1 HG3 GLU 1 -15.747 -3.770 0.049
9 H GLU 2 H GLU 2 -11.721 -3.937 -2.772
10 HA GLU 2 HA GLU 2 -11.002 -1.182 -3.269
11 HB2 GLU 2 HB2 GLU 2 -9.088 -3.400 -2.655
12 HB3 GLU 2 HB3 GLU 2 -8.935 -1.690 -2.318
13 HG2 GLU 2 HG2 GLU 2 -9.308 -2.550 -0.216
14 HG3 GLU 2 HG3 GLU 2 -10.940 -2.116 -0.707
15 H THR 3 H THR 3 -9.138 -0.744 -4.564
16 HA THR 3 HA THR 3 -8.752 -2.579 -6.780
17 HB THR 3 HB THR 3 -8.047 0.351 -6.585
18 HG1 THR 3 HG1 THR 3 -10.059 -0.620 -8.321
19 HG21 THR 3 HG21 THR 3 -7.738 0.199 -9.031
20 HG22 THR 3 HG22 THR 3 -8.104 -1.524 -8.962
21 HG23 THR 3 HG23 THR 3 -6.655 -0.902 -8.176
22 H GLU 4 H GLU 4 -7.060 -3.774 -6.417
23 HA GLU 4 HA GLU 4 -5.083 -3.187 -4.459
24 HB2 GLU 4 HB2 GLU 4 -5.225 -5.358 -6.556
25 HB3 GLU 4 HB3 GLU 4 -3.939 -5.240 -5.371
26 HG2 GLU 4 HG2 GLU 4 -5.500 -6.899 -4.661
27 HG3 GLU 4 HG3 GLU 4 -5.622 -5.524 -3.579
28 H GLU 5 H GLU 5 -3.545 -1.794 -4.739
29 HA GLU 5 HA GLU 5 -2.421 -1.409 -7.422
30 HB2 GLU 5 HB2 GLU 5 -3.837 0.480 -6.426
31 HB3 GLU 5 HB3 GLU 5 -2.582 0.636 -5.217
32 HG2 GLU 5 HG2 GLU 5 -2.265 2.277 -6.950
33 HG3 GLU 5 HG3 GLU 5 -0.940 1.110 -6.966
34 HA PRO 6 HA PRO 6 1.247 -2.624 -4.991
35 HB2 PRO 6 HB2 PRO 6 2.533 -2.867 -7.605
36 HB3 PRO 6 HB3 PRO 6 2.253 -4.124 -6.398
37 HG2 PRO 6 HG2 PRO 6 0.937 -4.074 -8.765
38 HG3 PRO 6 HG3 PRO 6 0.204 -4.700 -7.280
39 HD2 PRO 6 HD2 PRO 6 -0.163 -2.026 -8.585
40 HD3 PRO 6 HD3 PRO 6 -1.371 -3.105 -7.848
41 H ILE 7 H ILE 7 2.237 -0.960 -4.160
42 HA ILE 7 HA ILE 7 3.060 1.320 -5.836
43 HB ILE 7 HB ILE 7 3.003 2.697 -3.825
44 HG12 ILE 7 HG12 ILE 7 2.597 0.379 -2.007
45 HG13 ILE 7 HG13 ILE 7 4.247 0.659 -2.561
46 HG21 ILE 7 HG21 ILE 7 0.910 2.217 -2.756
47 HG22 ILE 7 HG22 ILE 7 0.844 0.660 -3.585
48 HG23 ILE 7 HG23 ILE 7 0.810 2.157 -4.519
49 HD11 ILE 7 HD11 ILE 7 4.133 2.927 -1.691
50 HD12 ILE 7 HD12 ILE 7 3.846 1.730 -0.422
51 HD13 ILE 7 HD13 ILE 7 2.492 2.628 -1.121
52 H ARG 8 H ARG 8 5.238 2.171 -5.410
53 HA ARG 8 HA ARG 8 7.087 0.043 -4.647
54 HB2 ARG 8 HB2 ARG 8 7.816 2.749 -5.796
55 HB3 ARG 8 HB3 ARG 8 8.803 1.292 -5.714
56 HG2 ARG 8 HG2 ARG 8 7.317 0.194 -7.272
57 HG3 ARG 8 HG3 ARG 8 6.387 1.682 -7.437
58 HD2 ARG 8 HD2 ARG 8 7.902 1.500 -9.258
59 HD3 ARG 8 HD3 ARG 8 8.461 2.811 -8.214
60 HE ARG 8 HE ARG 8 9.840 0.656 -7.339
61 HH11 ARG 8 HH11 ARG 8 9.404 2.049 -10.565
62 HH12 ARG 8 HH12 ARG 8 10.915 1.563 -11.146
63 HH21 ARG 8 HH21 ARG 8 11.914 -0.066 -8.156
64 HH22 ARG 8 HH22 ARG 8 12.384 0.341 -9.747
65 H HIS 9 H HIS 9 8.255 0.211 -2.822
66 HA HIS 9 HA HIS 9 7.990 2.682 -1.269
67 HB2 HIS 9 HB2 HIS 9 6.359 0.936 -0.483
68 HB3 HIS 9 HB3 HIS 9 7.717 -0.128 -0.159
69 HD1 HIS 9 HD3 HIS 9 9.304 0.616 1.864
70 HD2 HIS 9 HD2 HIS 9 5.780 2.755 1.449
71 HE1 HIS 9 HE1 HIS 9 8.975 1.867 4.052
72 H ALA 10 H ALA 10 9.955 3.359 -0.663
73 HA ALA 10 HA ALA 10 12.218 1.712 -1.211
74 HB1 ALA 10 HB1 ALA 10 12.151 4.490 -0.029
75 HB2 ALA 10 HB2 ALA 10 12.285 4.103 -1.745
76 HB3 ALA 10 HB3 ALA 10 13.578 3.652 -0.637
77 H LYS 11 H LYS 11 11.798 0.035 0.217
78 HA LYS 11 HA LYS 11 13.449 -0.010 2.436
79 HB2 LYS 11 HB2 LYS 11 11.348 1.093 3.446
80 HB3 LYS 11 HB3 LYS 11 10.461 -0.343 2.973
81 HG2 LYS 11 HG2 LYS 11 11.741 -1.696 4.491
82 HG3 LYS 11 HG3 LYS 11 12.793 -0.328 4.865
83 HD2 LYS 11 HD2 LYS 11 10.850 0.885 5.786
84 HD3 LYS 11 HD3 LYS 11 9.844 -0.534 5.484
85 HE2 LYS 11 HE2 LYS 11 11.189 -1.852 6.984
86 HE3 LYS 11 HE3 LYS 11 12.313 -0.520 7.212
87 HZ1 LYS 11 HZ1 LYS 11 10.847 -0.650 9.075
88 HZ2 LYS 11 HZ2 LYS 11 9.493 -0.661 8.099
89 HZ3 LYS 11 HZ3 LYS 11 10.423 0.740 8.214
90 H LYS 12 H LYS 12 13.997 -2.209 2.512
91 HA LYS 12 HA LYS 12 13.345 -3.689 0.226
92 HB2 LYS 12 HB2 LYS 12 15.414 -4.036 1.493
93 HB3 LYS 12 HB3 LYS 12 14.489 -4.720 2.825
94 HG2 LYS 12 HG2 LYS 12 13.710 -6.505 1.297
95 HG3 LYS 12 HG3 LYS 12 14.786 -5.858 0.060
96 HD2 LYS 12 HD2 LYS 12 16.701 -6.254 1.494
97 HD3 LYS 12 HD3 LYS 12 15.636 -6.839 2.776
98 HE2 LYS 12 HE2 LYS 12 16.024 -8.074 0.056
99 HE3 LYS 12 HE3 LYS 12 16.636 -8.700 1.588
100 HZ1 LYS 12 HZ1 LYS 12 14.196 -8.788 2.269
101 HZ2 LYS 12 HZ2 LYS 12 14.720 -9.908 1.140
102 HZ3 LYS 12 HZ3 LYS 12 13.848 -8.559 0.620
103 H ASN 13 H ASN 13 12.429 -4.394 3.550
104 HA ASN 13 HA ASN 13 9.986 -5.612 2.489
105 HB2 ASN 13 HB2 ASN 13 11.548 -6.559 4.909
106 HB3 ASN 13 HB3 ASN 13 9.933 -7.116 4.502
107 HD21 ASN 13 HD21 ASN 13 9.675 -8.398 2.598
108 HD22 ASN 13 HD22 ASN 13 11.005 -9.279 1.954
109 HA PRO 14 HA PRO 14 8.642 -2.377 5.269
110 HB2 PRO 14 HB2 PRO 14 6.589 -1.661 3.474
111 HB3 PRO 14 HB3 PRO 14 8.117 -0.817 3.713
112 HG2 PRO 14 HG2 PRO 14 7.323 -2.191 1.393
113 HG3 PRO 14 HG3 PRO 14 8.956 -1.621 1.766
114 HD2 PRO 14 HD2 PRO 14 7.792 -4.340 2.018
115 HD3 PRO 14 HD3 PRO 14 9.463 -3.835 1.668
116 H SER 15 H SER 15 7.179 -2.725 6.788
117 HA SER 15 HA SER 15 5.428 -4.956 6.489
118 HB2 SER 15 HB2 SER 15 5.820 -3.091 8.827
119 HB3 SER 15 HB3 SER 15 4.987 -4.654 8.853
120 HG SER 15 HG SER 15 7.178 -5.257 7.796
121 H GLU 16 H GLU 16 3.216 -4.682 7.475
122 HA GLU 16 HA GLU 16 1.601 -3.391 5.661
123 HB2 GLU 16 HB2 GLU 16 0.960 -5.322 6.976
124 HB3 GLU 16 HB3 GLU 16 1.025 -4.375 8.446
125 HG2 GLU 16 HG2 GLU 16 -0.834 -3.015 7.623
126 HG3 GLU 16 HG3 GLU 16 -0.908 -4.031 6.180
127 H GLY 17 H GLY 17 2.480 -2.368 8.947
128 HA2 GLY 17 HA2 GLY 17 0.867 -0.064 9.069
129 HA3 GLY 17 HA3 GLY 17 2.348 -0.293 9.985
130 H GLU 18 H GLU 18 4.237 -0.389 8.111
131 HA GLU 18 HA GLU 18 4.935 2.215 7.407
132 HB2 GLU 18 HB2 GLU 18 5.703 -0.341 5.979
133 HB3 GLU 18 HB3 GLU 18 6.532 1.191 5.816
134 HG2 GLU 18 HG2 GLU 18 6.310 -0.347 8.387
135 HG3 GLU 18 HG3 GLU 18 7.656 -0.471 7.260
136 H CYS 19 H CYS 19 3.650 -0.348 5.350
137 HA CYS 19 HA CYS 19 3.411 1.329 3.128
138 HB2 CYS 19 HB2 CYS 19 2.532 -1.456 3.674
139 HB3 CYS 19 HB3 CYS 19 2.176 -0.678 2.138
140 H LYS 20 H LYS 20 1.049 0.403 5.576
141 HA LYS 20 HA LYS 20 -1.045 1.461 4.079
142 HB2 LYS 20 HB2 LYS 20 -0.787 1.064 7.065
143 HB3 LYS 20 HB3 LYS 20 -2.203 1.836 6.382
144 HG2 LYS 20 HG2 LYS 20 -2.629 -0.225 5.061
145 HG3 LYS 20 HG3 LYS 20 -1.248 -0.973 5.872
146 HD2 LYS 20 HD2 LYS 20 -2.305 -0.757 8.013
147 HD3 LYS 20 HD3 LYS 20 -3.630 0.176 7.324
148 HE2 LYS 20 HE2 LYS 20 -4.283 -1.806 5.988
149 HE3 LYS 20 HE3 LYS 20 -2.980 -2.719 6.743
150 HZ1 LYS 20 HZ1 LYS 20 -5.116 -3.160 7.817
151 HZ2 LYS 20 HZ2 LYS 20 -5.308 -1.535 8.186
152 HZ3 LYS 20 HZ3 LYS 20 -4.073 -2.411 8.897
153 H LYS 21 H LYS 21 1.243 2.899 6.328
154 HA LYS 21 HA LYS 21 0.099 5.469 6.450
155 HB2 LYS 21 HB2 LYS 21 1.799 4.796 8.057
156 HB3 LYS 21 HB3 LYS 21 2.974 4.567 6.775
157 HG2 LYS 21 HG2 LYS 21 3.393 6.619 8.038
158 HG3 LYS 21 HG3 LYS 21 3.012 6.969 6.351
159 HD2 LYS 21 HD2 LYS 21 0.704 7.491 7.010
160 HD3 LYS 21 HD3 LYS 21 1.120 7.191 8.700
161 HE2 LYS 21 HE2 LYS 21 2.386 9.286 6.931
162 HE3 LYS 21 HE3 LYS 21 1.108 9.599 8.100
163 HZ1 LYS 21 HZ1 LYS 21 3.295 10.142 8.974
164 HZ2 LYS 21 HZ2 LYS 21 3.819 8.553 8.776
165 HZ3 LYS 21 HZ3 LYS 21 2.569 8.914 9.855
166 H ALA 22 H ALA 22 2.621 4.131 4.384
167 HA ALA 22 HA ALA 22 3.112 6.415 2.841
168 HB1 ALA 22 HB1 ALA 22 4.153 4.885 1.258
169 HB2 ALA 22 HB2 ALA 22 3.385 3.517 2.063
170 HB3 ALA 22 HB3 ALA 22 4.599 4.475 2.914
171 H CYS 23 H CYS 23 0.969 3.643 2.227
172 HA CYS 23 HA CYS 23 0.006 4.660 -0.205
173 HB2 CYS 23 HB2 CYS 23 -0.992 2.517 1.625
174 HB3 CYS 23 HB3 CYS 23 -1.764 2.852 0.080
175 H ALA 24 H ALA 24 -0.997 5.167 3.077
176 HA ALA 24 HA ALA 24 -3.505 6.282 2.454
177 HB1 ALA 24 HB1 ALA 24 -1.640 6.906 4.744
178 HB2 ALA 24 HB2 ALA 24 -2.861 5.634 4.716
179 HB3 ALA 24 HB3 ALA 24 -3.355 7.329 4.659
180 H ASP 25 H ASP 25 -0.391 7.743 3.187
181 HA ASP 25 HA ASP 25 -1.075 10.402 2.724
182 HB2 ASP 25 HB2 ASP 25 0.945 9.670 3.917
183 HB3 ASP 25 HB3 ASP 25 1.622 9.090 2.402
184 H ALA 26 H ALA 26 0.187 7.995 0.484
185 HA ALA 26 HA ALA 26 0.387 9.911 -1.660
186 HB1 ALA 26 HB1 ALA 26 0.775 6.932 -1.739
187 HB2 ALA 26 HB2 ALA 26 2.035 8.120 -1.404
188 HB3 ALA 26 HB3 ALA 26 1.249 8.090 -2.982
189 H PHE 27 H PHE 27 -2.230 8.063 -0.472
190 HA PHE 27 HA PHE 27 -3.405 8.246 -3.159
191 HB2 PHE 27 HB2 PHE 27 -3.677 5.962 -1.242
192 HB3 PHE 27 HB3 PHE 27 -4.880 6.246 -2.496
193 HD1 PHE 27 HD1 PHE 27 -1.678 4.712 -1.755
194 HD2 PHE 27 HD2 PHE 27 -4.050 6.410 -4.889
195 HE1 PHE 27 HE1 PHE 27 -0.368 3.546 -3.371
196 HE2 PHE 27 HE2 PHE 27 -2.699 5.240 -6.525
197 HZ PHE 27 HZ PHE 27 -0.838 3.787 -5.791
198 H ALA 28 H ALA 28 -4.245 8.100 0.259
199 HA ALA 28 HA ALA 28 -6.723 9.550 -0.349
200 HB1 ALA 28 HB1 ALA 28 -5.930 7.996 2.118
201 HB2 ALA 28 HB2 ALA 28 -6.985 7.419 0.831
202 HB3 ALA 28 HB3 ALA 28 -7.491 8.771 1.843
203 H ASN 29 H ASN 29 -3.808 10.307 0.065
204 HA ASN 29 HA ASN 29 -2.556 11.981 0.807
205 HB2 ASN 29 HB2 ASN 29 -5.242 13.332 0.829
206 HB3 ASN 29 HB3 ASN 29 -3.748 14.202 1.163
207 HD21 ASN 29 HD21 ASN 29 -3.867 15.482 -0.657
208 HD22 ASN 29 HD22 ASN 29 -3.655 14.852 -2.252
209 H GLY 30 H GLY 30 -3.474 10.139 2.811
210 HA2 GLY 30 HA2 GLY 30 -2.154 10.527 4.938
211 HA3 GLY 30 HA3 GLY 30 -3.201 11.923 5.147
212 H ASP 31 H ASP 31 -5.443 10.190 3.999
213 HA ASP 31 HA ASP 31 -6.186 9.175 6.595
214 HB2 ASP 31 HB2 ASP 31 -7.923 10.351 5.465
215 HB3 ASP 31 HB3 ASP 31 -7.736 9.355 4.017
216 H GLN 32 H GLN 32 -6.333 7.137 7.237
217 HA GLN 32 HA GLN 32 -5.326 5.113 5.388
218 HB2 GLN 32 HB2 GLN 32 -5.603 4.958 8.391
219 HB3 GLN 32 HB3 GLN 32 -4.789 3.795 7.354
220 HG2 GLN 32 HG2 GLN 32 -3.209 5.601 6.697
221 HG3 GLN 32 HG3 GLN 32 -3.975 6.628 7.902
222 HE21 GLN 32 HE21 GLN 32 -1.291 5.788 7.713
223 HE22 GLN 32 HE22 GLN 32 -0.887 4.922 9.148
224 H SER 33 H SER 33 -8.278 6.205 6.052
225 HA SER 33 HA SER 33 -9.561 3.727 6.804
226 HB2 SER 33 HB2 SER 33 -10.876 6.249 5.814
227 HB3 SER 33 HB3 SER 33 -11.580 4.986 6.826
228 HG SER 33 HG SER 33 -9.791 7.029 7.443
229 H LYS 34 H LYS 34 -8.917 5.655 3.968
230 HA LYS 34 HA LYS 34 -10.600 4.082 2.232
231 HB2 LYS 34 HB2 LYS 34 -8.464 6.096 1.533
232 HB3 LYS 34 HB3 LYS 34 -9.620 5.413 0.399
233 HG2 LYS 34 HG2 LYS 34 -10.304 7.054 2.808
234 HG3 LYS 34 HG3 LYS 34 -10.216 7.695 1.167
235 HD2 LYS 34 HD2 LYS 34 -12.115 5.503 2.079
236 HD3 LYS 34 HD3 LYS 34 -12.550 7.198 1.948
237 HE2 LYS 34 HE2 LYS 34 -11.609 5.466 -0.352
238 HE3 LYS 34 HE3 LYS 34 -13.285 5.853 0.009
239 HZ1 LYS 34 HZ1 LYS 34 -12.769 8.197 -0.340
240 HZ2 LYS 34 HZ2 LYS 34 -12.448 7.286 -1.711
241 HZ3 LYS 34 HZ3 LYS 34 -11.177 7.820 -0.747
242 H ILE 35 H ILE 35 -7.700 3.520 3.612
243 HA ILE 35 HA ILE 35 -6.893 1.680 1.454
244 HB ILE 35 HB ILE 35 -5.268 2.450 3.907
245 HG12 ILE 35 HG12 ILE 35 -5.513 4.415 2.455
246 HG13 ILE 35 HG13 ILE 35 -3.864 3.814 2.392
247 HG21 ILE 35 HG21 ILE 35 -4.479 0.936 1.411
248 HG22 ILE 35 HG22 ILE 35 -4.705 0.250 3.008
249 HG23 ILE 35 HG23 ILE 35 -3.382 1.386 2.719
250 HD11 ILE 35 HD11 ILE 35 -5.997 3.377 0.308
251 HD12 ILE 35 HD12 ILE 35 -4.350 2.751 0.237
252 HD13 ILE 35 HD13 ILE 35 -4.635 4.490 0.198
253 H ALA 36 H ALA 36 -7.788 -0.240 1.735
254 HA ALA 36 HA ALA 36 -8.832 -1.017 4.304
255 HB1 ALA 36 HB1 ALA 36 -8.648 -2.658 1.783
256 HB2 ALA 36 HB2 ALA 36 -9.984 -1.583 2.188
257 HB3 ALA 36 HB3 ALA 36 -9.660 -3.000 3.187
258 H LYS 37 H LYS 37 -6.471 -2.438 2.128
259 HA LYS 37 HA LYS 37 -5.071 -3.556 4.435
260 HB2 LYS 37 HB2 LYS 37 -5.761 -5.031 1.879
261 HB3 LYS 37 HB3 LYS 37 -4.649 -5.633 3.093
262 HG2 LYS 37 HG2 LYS 37 -6.462 -5.793 4.716
263 HG3 LYS 37 HG3 LYS 37 -7.576 -5.086 3.548
264 HD2 LYS 37 HD2 LYS 37 -6.078 -7.662 3.039
265 HD3 LYS 37 HD3 LYS 37 -7.672 -7.615 3.784
266 HE2 LYS 37 HE2 LYS 37 -7.040 -6.440 1.065
267 HE3 LYS 37 HE3 LYS 37 -7.693 -8.053 1.319
268 HZ1 LYS 37 HZ1 LYS 37 -9.332 -6.150 0.826
269 HZ2 LYS 37 HZ2 LYS 37 -9.117 -5.712 2.444
270 HZ3 LYS 37 HZ3 LYS 37 -9.698 -7.223 2.054
271 H ALA 38 H ALA 38 -2.826 -4.190 3.837
272 HA ALA 38 HA ALA 38 -1.649 -3.254 1.403
273 HB1 ALA 38 HB1 ALA 38 -0.958 -1.940 4.037
274 HB2 ALA 38 HB2 ALA 38 -1.767 -1.177 2.657
275 HB3 ALA 38 HB3 ALA 38 -0.094 -1.722 2.504
276 H GLU 39 H GLU 39 0.093 -4.490 1.038
277 HA GLU 39 HA GLU 39 1.207 -6.032 3.264
278 HB2 GLU 39 HB2 GLU 39 -0.843 -7.167 2.409
279 HB3 GLU 39 HB3 GLU 39 -0.077 -7.278 0.840
280 HG2 GLU 39 HG2 GLU 39 1.602 -8.752 1.727
281 HG3 GLU 39 HG3 GLU 39 0.938 -8.564 3.355
282 H ASN 40 H ASN 40 3.270 -6.897 2.752
283 HA ASN 40 HA ASN 40 4.783 -5.534 0.814
284 HB2 ASN 40 HB2 ASN 40 5.789 -6.481 2.869
285 HB3 ASN 40 HB3 ASN 40 5.448 -8.106 2.291
286 HD21 ASN 40 HD21 ASN 40 6.679 -5.433 0.318
287 HD22 ASN 40 HD22 ASN 40 8.189 -6.165 -0.011
288 H PHE 41 H PHE 41 4.717 -5.793 -1.244
289 HA PHE 41 HA PHE 41 3.468 -8.120 -2.440
290 HB2 PHE 41 HB2 PHE 41 2.698 -5.964 -3.175
291 HB3 PHE 41 HB3 PHE 41 4.335 -5.438 -3.512
292 HD1 PHE 41 HD1 PHE 41 1.604 -7.644 -4.647
293 HD2 PHE 41 HD2 PHE 41 5.369 -5.900 -5.589
294 HE1 PHE 41 HE1 PHE 41 1.354 -8.351 -6.991
295 HE2 PHE 41 HE2 PHE 41 5.147 -6.600 -7.900
296 HZ PHE 41 HZ PHE 41 3.121 -7.828 -8.627
297 H LYS 42 H LYS 42 6.597 -6.505 -2.388
298 HA LYS 42 HA LYS 42 7.990 -8.770 -3.397
299 HB2 LYS 42 HB2 LYS 42 6.832 -7.497 -5.421
300 HB3 LYS 42 HB3 LYS 42 8.024 -6.268 -5.092
301 HG2 LYS 42 HG2 LYS 42 8.806 -7.580 -6.876
302 HG3 LYS 42 HG3 LYS 42 9.792 -7.933 -5.462
303 HD2 LYS 42 HD2 LYS 42 9.283 -10.008 -6.594
304 HD3 LYS 42 HD3 LYS 42 8.391 -9.974 -5.075
305 HE2 LYS 42 HE2 LYS 42 6.375 -9.237 -6.286
306 HE3 LYS 42 HE3 LYS 42 7.285 -9.281 -7.795
307 HZ1 LYS 42 HZ1 LYS 42 6.617 -11.571 -6.046
308 HZ2 LYS 42 HZ2 LYS 42 7.625 -11.671 -7.384
309 HZ3 LYS 42 HZ3 LYS 42 6.001 -11.246 -7.585
310 H ASP 43 H ASP 43 10.404 -7.939 -3.496
311 HA ASP 43 HA ASP 43 10.977 -6.307 -1.278
312 HB2 ASP 43 HB2 ASP 43 12.745 -6.861 -3.697
313 HB3 ASP 43 HB3 ASP 43 13.290 -6.017 -2.261
314 H TYR 44 H TYR 44 10.835 -4.239 -1.000
315 HA TYR 44 HA TYR 44 10.618 -2.026 -1.299
316 HB2 TYR 44 HB2 TYR 44 11.733 -2.516 -4.080
317 HB3 TYR 44 HB3 TYR 44 11.526 -0.932 -3.348
318 HD1 TYR 44 HD1 TYR 44 13.552 -3.961 -3.454
319 HD2 TYR 44 HD2 TYR 44 13.002 -0.230 -1.510
320 HE1 TYR 44 HE1 TYR 44 15.795 -4.150 -2.493
321 HE2 TYR 44 HE2 TYR 44 15.255 -0.400 -0.538
322 HH TYR 44 HH TYR 44 17.534 -2.605 -1.623
323 H TYR 45 H TYR 45 8.473 -3.992 -2.143
324 HA TYR 45 HA TYR 45 6.751 -1.979 -3.421
325 HB2 TYR 45 HB2 TYR 45 7.014 -4.852 -4.254
326 HB3 TYR 45 HB3 TYR 45 5.592 -3.902 -4.609
327 HD1 TYR 45 HD1 TYR 45 5.648 -2.142 -6.251
328 HD2 TYR 45 HD2 TYR 45 9.130 -4.449 -5.466
329 HE1 TYR 45 HE1 TYR 45 6.631 -1.350 -8.329
330 HE2 TYR 45 HE2 TYR 45 10.128 -3.645 -7.564
331 HH TYR 45 HH TYR 45 9.270 -2.754 -9.772
332 H CYS 46 H CYS 46 4.633 -2.002 -2.804
333 HA CYS 46 HA CYS 46 3.706 -4.119 -1.027
334 HB2 CYS 46 HB2 CYS 46 3.710 -1.202 -0.361
335 HB3 CYS 46 HB3 CYS 46 2.421 -2.235 0.241
336 H ASN 47 H ASN 47 1.702 -4.719 -1.279
337 HA ASN 47 HA ASN 47 0.231 -3.567 -3.511
338 HB2 ASN 47 HB2 ASN 47 0.544 -6.067 -3.264
339 HB3 ASN 47 HB3 ASN 47 -0.411 -5.978 -1.789
340 HD21 ASN 47 HD21 ASN 47 -2.043 -7.233 -2.519
341 HD22 ASN 47 HD22 ASN 47 -3.138 -6.787 -3.767
342 H CYS 48 H CYS 48 -1.011 -1.912 -2.951
343 HA CYS 48 HA CYS 48 -2.237 -1.980 -0.322
344 HB2 CYS 48 HB2 CYS 48 -1.374 0.292 -2.063
345 HB3 CYS 48 HB3 CYS 48 -2.465 0.566 -0.714
346 H HIS 49 H HIS 49 -4.337 -1.621 -0.086
347 HA HIS 49 HA HIS 49 -5.855 -2.217 -2.507
348 HB2 HIS 49 HB2 HIS 49 -6.436 -2.789 0.390
349 HB3 HIS 49 HB3 HIS 49 -7.484 -3.242 -0.951
350 HD1 HIS 49 HD3 HIS 49 -7.109 -5.578 -1.842
351 HD2 HIS 49 HD2 HIS 49 -3.807 -4.156 0.255
352 HE1 HIS 49 HE1 HIS 49 -5.538 -7.536 -1.587
353 H ILE 50 H ILE 50 -6.501 -0.310 -3.202
354 HA ILE 50 HA ILE 50 -7.194 1.784 -1.318
355 HB ILE 50 HB ILE 50 -7.625 2.126 -4.258
356 HG12 ILE 50 HG12 ILE 50 -5.426 0.951 -4.203
357 HG13 ILE 50 HG13 ILE 50 -5.256 2.625 -4.694
358 HG21 ILE 50 HG21 ILE 50 -8.095 3.920 -2.698
359 HG22 ILE 50 HG22 ILE 50 -6.716 4.364 -3.724
360 HG23 ILE 50 HG23 ILE 50 -6.451 3.788 -2.071
361 HD11 ILE 50 HD11 ILE 50 -4.436 3.185 -2.457
362 HD12 ILE 50 HD12 ILE 50 -3.465 1.928 -3.232
363 HD13 ILE 50 HD13 ILE 50 -4.625 1.494 -1.975
364 H ILE 51 H ILE 51 -9.238 1.962 -0.616
365 HA ILE 51 HA ILE 51 -11.339 0.381 -1.708
366 HB ILE 51 HB ILE 51 -11.462 2.627 0.329
367 HG12 ILE 51 HG12 ILE 51 -11.449 -0.377 0.705
368 HG13 ILE 51 HG13 ILE 51 -10.082 0.687 1.008
369 HG21 ILE 51 HG21 ILE 51 -13.639 2.279 -0.726
370 HG22 ILE 51 HG22 ILE 51 -13.664 1.698 0.941
371 HG23 ILE 51 HG23 ILE 51 -13.538 0.551 -0.393
372 HD11 ILE 51 HD11 ILE 51 -12.716 0.737 2.460
373 HD12 ILE 51 HD12 ILE 51 -11.338 1.790 2.781
374 HD13 ILE 51 HD13 ILE 51 -11.208 0.056 3.069
375 H ILE 52 H ILE 52 -12.137 0.819 -3.587
376 HA ILE 52 HA ILE 52 -12.603 3.609 -4.360
377 HB ILE 52 HB ILE 52 -12.331 1.135 -6.081
378 HG12 ILE 52 HG12 ILE 52 -10.182 1.821 -5.168
379 HG13 ILE 52 HG13 ILE 52 -10.237 2.157 -6.891
380 HG21 ILE 52 HG21 ILE 52 -12.710 3.994 -6.943
381 HG22 ILE 52 HG22 ILE 52 -13.883 2.688 -7.100
382 HG23 ILE 52 HG23 ILE 52 -12.378 2.634 -8.016
383 HD11 ILE 52 HD11 ILE 52 -10.673 4.534 -6.365
384 HD12 ILE 52 HD12 ILE 52 -9.141 3.944 -5.721
385 HD13 ILE 52 HD13 ILE 52 -10.525 4.139 -4.647
386 H HIS 53 H HIS 53 -14.052 0.367 -4.300
387 HA HIS 53 HA HIS 53 -16.530 1.392 -5.363
388 HB2 HIS 53 HB2 HIS 53 -15.714 -1.430 -4.622
389 HB3 HIS 53 HB3 HIS 53 -17.232 -0.986 -5.390
390 HD1 HIS 53 HD3 HIS 53 -13.664 -1.687 -6.133
391 HD2 HIS 53 HD2 HIS 53 -16.983 -0.118 -8.067
392 HE1 HIS 53 HE1 HIS 53 -13.061 -1.625 -8.587
Start of MODEL 17
1 H1 GLU 1 1HT GLU 1 -14.387 -5.588 -2.190
2 H2 GLU 1 2HT GLU 1 -15.510 -6.435 -3.109
3 H3 GLU 1 3HT GLU 1 -15.493 -4.735 -3.138
4 HA GLU 1 HA GLU 1 -13.392 -6.545 -4.106
5 HB2 GLU 1 HB2 GLU 1 -15.318 -6.431 -5.619
6 HB3 GLU 1 HB3 GLU 1 -15.270 -4.677 -5.573
7 HG2 GLU 1 HG2 GLU 1 -13.119 -4.684 -6.696
8 HG3 GLU 1 HG3 GLU 1 -13.109 -6.447 -6.688
9 H GLU 2 H GLU 2 -11.466 -5.722 -4.160
10 HA GLU 2 HA GLU 2 -11.093 -2.852 -3.609
11 HB2 GLU 2 HB2 GLU 2 -9.248 -5.161 -2.998
12 HB3 GLU 2 HB3 GLU 2 -9.083 -3.496 -2.460
13 HG2 GLU 2 HG2 GLU 2 -10.937 -3.698 -1.013
14 HG3 GLU 2 HG3 GLU 2 -11.378 -5.264 -1.681
15 H THR 3 H THR 3 -9.500 -1.852 -4.876
16 HA THR 3 HA THR 3 -8.434 -3.547 -6.972
17 HB THR 3 HB THR 3 -9.452 -1.508 -7.878
18 HG1 THR 3 HG1 THR 3 -7.347 -2.368 -8.669
19 HG21 THR 3 HG21 THR 3 -7.473 0.018 -6.186
20 HG22 THR 3 HG22 THR 3 -9.223 -0.033 -5.950
21 HG23 THR 3 HG23 THR 3 -8.549 0.730 -7.389
22 H GLU 4 H GLU 4 -6.370 -4.037 -7.055
23 HA GLU 4 HA GLU 4 -4.827 -3.359 -4.674
24 HB2 GLU 4 HB2 GLU 4 -4.640 -5.638 -6.639
25 HB3 GLU 4 HB3 GLU 4 -3.563 -5.395 -5.268
26 HG2 GLU 4 HG2 GLU 4 -5.357 -5.714 -3.720
27 HG3 GLU 4 HG3 GLU 4 -6.533 -5.738 -5.030
28 H GLU 5 H GLU 5 -3.310 -1.894 -4.981
29 HA GLU 5 HA GLU 5 -2.036 -1.830 -7.617
30 HB2 GLU 5 HB2 GLU 5 -3.508 0.157 -7.196
31 HB3 GLU 5 HB3 GLU 5 -2.478 0.570 -5.837
32 HG2 GLU 5 HG2 GLU 5 -0.582 0.889 -7.278
33 HG3 GLU 5 HG3 GLU 5 -1.498 0.330 -8.673
34 HA PRO 6 HA PRO 6 1.521 -2.515 -4.952
35 HB2 PRO 6 HB2 PRO 6 3.046 -2.930 -7.366
36 HB3 PRO 6 HB3 PRO 6 2.603 -4.114 -6.137
37 HG2 PRO 6 HG2 PRO 6 1.596 -4.127 -8.694
38 HG3 PRO 6 HG3 PRO 6 0.755 -4.812 -7.296
39 HD2 PRO 6 HD2 PRO 6 0.328 -2.197 -8.670
40 HD3 PRO 6 HD3 PRO 6 -0.853 -3.326 -7.959
41 H ILE 7 H ILE 7 2.193 -0.663 -4.253
42 HA ILE 7 HA ILE 7 3.074 1.441 -6.078
43 HB ILE 7 HB ILE 7 2.988 2.971 -4.175
44 HG12 ILE 7 HG12 ILE 7 2.072 0.713 -2.430
45 HG13 ILE 7 HG13 ILE 7 3.797 1.066 -2.567
46 HG21 ILE 7 HG21 ILE 7 0.651 2.772 -3.600
47 HG22 ILE 7 HG22 ILE 7 0.624 1.147 -4.281
48 HG23 ILE 7 HG23 ILE 7 0.933 2.534 -5.324
49 HD11 ILE 7 HD11 ILE 7 2.837 2.118 -0.635
50 HD12 ILE 7 HD12 ILE 7 1.642 2.941 -1.666
51 HD13 ILE 7 HD13 ILE 7 3.369 3.310 -1.827
52 H ARG 8 H ARG 8 4.998 2.547 -5.600
53 HA ARG 8 HA ARG 8 7.183 0.748 -5.060
54 HB2 ARG 8 HB2 ARG 8 7.220 3.713 -5.651
55 HB3 ARG 8 HB3 ARG 8 8.568 2.587 -5.768
56 HG2 ARG 8 HG2 ARG 8 7.545 1.479 -7.633
57 HG3 ARG 8 HG3 ARG 8 6.103 2.491 -7.483
58 HD2 ARG 8 HD2 ARG 8 7.523 4.479 -7.887
59 HD3 ARG 8 HD3 ARG 8 8.894 3.401 -8.144
60 HE ARG 8 HE ARG 8 6.788 2.634 -9.802
61 HH11 ARG 8 HH11 ARG 8 9.101 5.322 -9.455
62 HH12 ARG 8 HH12 ARG 8 9.139 5.680 -11.120
63 HH21 ARG 8 HH21 ARG 8 6.861 3.163 -12.111
64 HH22 ARG 8 HH22 ARG 8 7.844 4.439 -12.651
65 H HIS 9 H HIS 9 8.212 0.640 -3.142
66 HA HIS 9 HA HIS 9 7.660 2.731 -1.154
67 HB2 HIS 9 HB2 HIS 9 6.515 0.454 -0.781
68 HB3 HIS 9 HB3 HIS 9 8.129 -0.202 -0.540
69 HD1 HIS 9 HD3 HIS 9 8.913 -0.152 1.852
70 HD2 HIS 9 HD2 HIS 9 5.876 2.546 1.099
71 HE1 HIS 9 HE1 HIS 9 8.387 0.969 4.072
72 H ALA 10 H ALA 10 9.509 3.039 0.360
73 HA ALA 10 HA ALA 10 11.981 2.580 -1.112
74 HB1 ALA 10 HB1 ALA 10 11.463 4.470 1.156
75 HB2 ALA 10 HB2 ALA 10 11.411 4.880 -0.558
76 HB3 ALA 10 HB3 ALA 10 12.933 4.383 0.187
77 H LYS 11 H LYS 11 10.456 0.936 1.190
78 HA LYS 11 HA LYS 11 12.966 0.209 2.528
79 HB2 LYS 11 HB2 LYS 11 10.107 -0.471 3.295
80 HB3 LYS 11 HB3 LYS 11 11.538 -1.044 4.127
81 HG2 LYS 11 HG2 LYS 11 10.713 1.850 3.931
82 HG3 LYS 11 HG3 LYS 11 10.362 0.791 5.294
83 HD2 LYS 11 HD2 LYS 11 12.813 0.458 5.586
84 HD3 LYS 11 HD3 LYS 11 13.081 1.648 4.310
85 HE2 LYS 11 HE2 LYS 11 13.276 2.681 6.512
86 HE3 LYS 11 HE3 LYS 11 11.897 3.339 5.635
87 HZ1 LYS 11 HZ1 LYS 11 10.416 1.931 6.955
88 HZ2 LYS 11 HZ2 LYS 11 11.380 2.852 7.974
89 HZ3 LYS 11 HZ3 LYS 11 11.738 1.232 7.733
90 H LYS 12 H LYS 12 13.699 -1.824 2.226
91 HA LYS 12 HA LYS 12 12.966 -3.176 -0.127
92 HB2 LYS 12 HB2 LYS 12 15.195 -3.327 0.727
93 HB3 LYS 12 HB3 LYS 12 14.627 -3.989 2.249
94 HG2 LYS 12 HG2 LYS 12 13.938 -6.028 1.102
95 HG3 LYS 12 HG3 LYS 12 14.503 -5.358 -0.431
96 HD2 LYS 12 HD2 LYS 12 16.744 -5.243 0.384
97 HD3 LYS 12 HD3 LYS 12 16.238 -5.743 1.999
98 HE2 LYS 12 HE2 LYS 12 17.261 -7.582 0.798
99 HE3 LYS 12 HE3 LYS 12 15.562 -7.907 1.108
100 HZ1 LYS 12 HZ1 LYS 12 15.034 -7.359 -1.135
101 HZ2 LYS 12 HZ2 LYS 12 16.253 -8.513 -1.138
102 HZ3 LYS 12 HZ3 LYS 12 16.631 -6.904 -1.479
103 H ASN 13 H ASN 13 12.410 -3.861 3.259
104 HA ASN 13 HA ASN 13 10.272 -5.692 2.446
105 HB2 ASN 13 HB2 ASN 13 12.259 -6.991 3.223
106 HB3 ASN 13 HB3 ASN 13 12.139 -6.171 4.774
107 HD21 ASN 13 HD21 ASN 13 10.654 -8.419 2.638
108 HD22 ASN 13 HD22 ASN 13 9.614 -9.194 3.761
109 HA PRO 14 HA PRO 14 8.492 -2.758 5.382
110 HB2 PRO 14 HB2 PRO 14 6.315 -2.267 3.726
111 HB3 PRO 14 HB3 PRO 14 7.777 -1.290 3.826
112 HG2 PRO 14 HG2 PRO 14 6.895 -2.838 1.619
113 HG3 PRO 14 HG3 PRO 14 8.427 -1.979 1.778
114 HD2 PRO 14 HD2 PRO 14 7.825 -4.853 2.162
115 HD3 PRO 14 HD3 PRO 14 9.345 -4.054 1.697
116 H SER 15 H SER 15 6.953 -3.193 6.882
117 HA SER 15 HA SER 15 5.330 -5.558 6.535
118 HB2 SER 15 HB2 SER 15 6.551 -5.168 8.693
119 HB3 SER 15 HB3 SER 15 5.630 -3.695 8.926
120 HG SER 15 HG SER 15 4.824 -6.367 9.092
121 H GLU 16 H GLU 16 3.054 -5.118 7.677
122 HA GLU 16 HA GLU 16 1.389 -3.849 5.857
123 HB2 GLU 16 HB2 GLU 16 0.750 -5.577 7.538
124 HB3 GLU 16 HB3 GLU 16 0.853 -4.345 8.782
125 HG2 GLU 16 HG2 GLU 16 -0.943 -3.107 7.568
126 HG3 GLU 16 HG3 GLU 16 -1.106 -4.507 6.511
127 H GLY 17 H GLY 17 2.773 -2.642 8.887
128 HA2 GLY 17 HA2 GLY 17 1.360 -0.223 9.089
129 HA3 GLY 17 HA3 GLY 17 2.920 -0.562 9.813
130 H GLU 18 H GLU 18 4.619 -0.830 7.834
131 HA GLU 18 HA GLU 18 5.261 1.709 6.896
132 HB2 GLU 18 HB2 GLU 18 5.980 -1.000 5.788
133 HB3 GLU 18 HB3 GLU 18 6.679 0.499 5.211
134 HG2 GLU 18 HG2 GLU 18 6.891 -0.531 8.027
135 HG3 GLU 18 HG3 GLU 18 8.115 -0.721 6.775
136 H CYS 19 H CYS 19 3.717 -0.971 5.228
137 HA CYS 19 HA CYS 19 3.410 0.317 2.794
138 HB2 CYS 19 HB2 CYS 19 1.959 -2.013 3.999
139 HB3 CYS 19 HB3 CYS 19 1.745 -1.492 2.334
140 H LYS 20 H LYS 20 1.066 -0.003 5.510
141 HA LYS 20 HA LYS 20 -0.937 1.326 4.024
142 HB2 LYS 20 HB2 LYS 20 -2.276 1.386 6.022
143 HB3 LYS 20 HB3 LYS 20 -1.448 -0.159 5.961
144 HG2 LYS 20 HG2 LYS 20 0.185 0.676 7.604
145 HG3 LYS 20 HG3 LYS 20 -0.686 2.206 7.672
146 HD2 LYS 20 HD2 LYS 20 -1.366 0.883 9.557
147 HD3 LYS 20 HD3 LYS 20 -2.712 0.931 8.420
148 HE2 LYS 20 HE2 LYS 20 -2.035 -1.275 7.562
149 HE3 LYS 20 HE3 LYS 20 -0.722 -1.309 8.736
150 HZ1 LYS 20 HZ1 LYS 20 -3.629 -1.331 9.306
151 HZ2 LYS 20 HZ2 LYS 20 -2.440 -1.167 10.483
152 HZ3 LYS 20 HZ3 LYS 20 -2.520 -2.583 9.570
153 H LYS 21 H LYS 21 1.615 2.422 6.094
154 HA LYS 21 HA LYS 21 0.719 5.059 6.477
155 HB2 LYS 21 HB2 LYS 21 2.603 3.868 7.693
156 HB3 LYS 21 HB3 LYS 21 3.592 4.134 6.271
157 HG2 LYS 21 HG2 LYS 21 4.099 5.796 7.946
158 HG3 LYS 21 HG3 LYS 21 3.314 6.570 6.566
159 HD2 LYS 21 HD2 LYS 21 1.192 6.590 7.752
160 HD3 LYS 21 HD3 LYS 21 1.916 5.739 9.111
161 HE2 LYS 21 HE2 LYS 21 1.697 8.138 9.556
162 HE3 LYS 21 HE3 LYS 21 3.385 7.638 9.528
163 HZ1 LYS 21 HZ1 LYS 21 3.622 8.530 7.354
164 HZ2 LYS 21 HZ2 LYS 21 2.964 9.732 8.318
165 HZ3 LYS 21 HZ3 LYS 21 1.991 8.888 7.216
166 H ALA 22 H ALA 22 2.897 3.593 4.095
167 HA ALA 22 HA ALA 22 3.327 5.907 2.565
168 HB1 ALA 22 HB1 ALA 22 3.438 3.029 1.682
169 HB2 ALA 22 HB2 ALA 22 4.754 3.926 2.439
170 HB3 ALA 22 HB3 ALA 22 4.164 4.402 0.846
171 H CYS 23 H CYS 23 1.027 3.206 2.108
172 HA CYS 23 HA CYS 23 -0.186 4.174 -0.209
173 HB2 CYS 23 HB2 CYS 23 -1.385 2.487 1.993
174 HB3 CYS 23 HB3 CYS 23 -2.158 2.785 0.442
175 H ALA 24 H ALA 24 -0.740 5.037 3.141
176 HA ALA 24 HA ALA 24 -3.104 6.504 2.536
177 HB1 ALA 24 HB1 ALA 24 -2.678 5.583 4.714
178 HB2 ALA 24 HB2 ALA 24 -2.916 7.332 4.809
179 HB3 ALA 24 HB3 ALA 24 -1.287 6.646 4.931
180 H ASP 25 H ASP 25 0.157 7.484 3.537
181 HA ASP 25 HA ASP 25 -0.271 10.215 3.226
182 HB2 ASP 25 HB2 ASP 25 2.232 8.594 3.467
183 HB3 ASP 25 HB3 ASP 25 2.303 10.328 3.188
184 H ALA 26 H ALA 26 0.847 7.887 0.874
185 HA ALA 26 HA ALA 26 1.451 10.059 -0.939
186 HB1 ALA 26 HB1 ALA 26 1.674 7.091 -1.403
187 HB2 ALA 26 HB2 ALA 26 2.971 8.132 -0.819
188 HB3 ALA 26 HB3 ALA 26 2.314 8.369 -2.439
189 H PHE 27 H PHE 27 -1.374 8.408 -0.125
190 HA PHE 27 HA PHE 27 -2.303 8.709 -2.893
191 HB2 PHE 27 HB2 PHE 27 -3.205 6.830 -0.759
192 HB3 PHE 27 HB3 PHE 27 -4.320 7.291 -2.037
193 HD1 PHE 27 HD1 PHE 27 -0.634 6.471 -2.070
194 HD2 PHE 27 HD2 PHE 27 -4.554 5.539 -3.471
195 HE1 PHE 27 HE1 PHE 27 0.283 4.813 -3.479
196 HE2 PHE 27 HE2 PHE 27 -3.590 3.811 -4.917
197 HZ PHE 27 HZ PHE 27 -1.181 3.440 -4.947
198 H ALA 28 H ALA 28 -3.134 9.273 0.461
199 HA ALA 28 HA ALA 28 -5.091 11.303 -0.373
200 HB1 ALA 28 HB1 ALA 28 -6.601 10.526 1.385
201 HB2 ALA 28 HB2 ALA 28 -5.458 9.231 1.771
202 HB3 ALA 28 HB3 ALA 28 -6.257 9.258 0.204
203 H ASN 29 H ASN 29 -2.288 11.292 0.663
204 HA ASN 29 HA ASN 29 -0.943 12.503 2.003
205 HB2 ASN 29 HB2 ASN 29 -3.437 14.181 2.321
206 HB3 ASN 29 HB3 ASN 29 -1.880 14.646 2.991
207 HD21 ASN 29 HD21 ASN 29 -3.462 16.019 1.038
208 HD22 ASN 29 HD22 ASN 29 -2.522 16.146 -0.395
209 H GLY 30 H GLY 30 -2.377 10.269 3.225
210 HA2 GLY 30 HA2 GLY 30 -1.445 9.655 5.448
211 HA3 GLY 30 HA3 GLY 30 -2.061 11.195 6.019
212 H ASP 31 H ASP 31 -4.318 9.962 3.952
213 HA ASP 31 HA ASP 31 -5.898 9.093 6.221
214 HB2 ASP 31 HB2 ASP 31 -7.021 10.596 4.709
215 HB3 ASP 31 HB3 ASP 31 -6.711 9.523 3.347
216 H GLN 32 H GLN 32 -6.013 7.099 6.830
217 HA GLN 32 HA GLN 32 -5.339 4.942 4.977
218 HB2 GLN 32 HB2 GLN 32 -5.718 4.889 7.988
219 HB3 GLN 32 HB3 GLN 32 -5.158 3.555 6.999
220 HG2 GLN 32 HG2 GLN 32 -3.192 4.846 6.378
221 HG3 GLN 32 HG3 GLN 32 -3.730 6.170 7.403
222 HE21 GLN 32 HE21 GLN 32 -1.298 4.629 7.495
223 HE22 GLN 32 HE22 GLN 32 -1.196 3.916 9.061
224 H SER 33 H SER 33 -8.017 6.473 5.147
225 HA SER 33 HA SER 33 -9.767 4.321 6.023
226 HB2 SER 33 HB2 SER 33 -10.563 7.046 5.018
227 HB3 SER 33 HB3 SER 33 -11.503 5.939 6.024
228 HG SER 33 HG SER 33 -9.615 7.761 6.657
229 H LYS 34 H LYS 34 -9.021 6.299 3.172
230 HA LYS 34 HA LYS 34 -10.747 4.978 1.345
231 HB2 LYS 34 HB2 LYS 34 -8.121 6.402 0.875
232 HB3 LYS 34 HB3 LYS 34 -9.206 5.900 -0.408
233 HG2 LYS 34 HG2 LYS 34 -10.917 7.416 0.402
234 HG3 LYS 34 HG3 LYS 34 -9.899 7.845 1.780
235 HD2 LYS 34 HD2 LYS 34 -8.233 8.776 0.296
236 HD3 LYS 34 HD3 LYS 34 -9.177 8.294 -1.109
237 HE2 LYS 34 HE2 LYS 34 -10.082 10.253 1.010
238 HE3 LYS 34 HE3 LYS 34 -9.392 10.707 -0.543
239 HZ1 LYS 34 HZ1 LYS 34 -11.952 9.239 -0.127
240 HZ2 LYS 34 HZ2 LYS 34 -11.255 9.577 -1.625
241 HZ3 LYS 34 HZ3 LYS 34 -11.763 10.829 -0.651
242 H ILE 35 H ILE 35 -7.709 4.241 2.659
243 HA ILE 35 HA ILE 35 -7.130 2.032 0.861
244 HB ILE 35 HB ILE 35 -5.662 2.943 3.360
245 HG12 ILE 35 HG12 ILE 35 -5.670 4.776 1.734
246 HG13 ILE 35 HG13 ILE 35 -4.060 4.091 1.878
247 HG21 ILE 35 HG21 ILE 35 -5.138 0.662 2.738
248 HG22 ILE 35 HG22 ILE 35 -3.750 1.709 2.440
249 HG23 ILE 35 HG23 ILE 35 -4.754 1.175 1.093
250 HD11 ILE 35 HD11 ILE 35 -4.571 4.620 -0.413
251 HD12 ILE 35 HD12 ILE 35 -6.017 3.609 -0.364
252 HD13 ILE 35 HD13 ILE 35 -4.418 2.870 -0.228
253 H ALA 36 H ALA 36 -8.032 0.111 1.319
254 HA ALA 36 HA ALA 36 -9.472 -0.388 3.726
255 HB1 ALA 36 HB1 ALA 36 -10.120 -1.394 1.583
256 HB2 ALA 36 HB2 ALA 36 -9.829 -2.630 2.805
257 HB3 ALA 36 HB3 ALA 36 -8.618 -2.316 1.564
258 H LYS 37 H LYS 37 -6.416 -1.448 2.396
259 HA LYS 37 HA LYS 37 -5.157 -1.806 4.876
260 HB2 LYS 37 HB2 LYS 37 -6.558 -3.895 4.847
261 HB3 LYS 37 HB3 LYS 37 -5.858 -4.310 3.292
262 HG2 LYS 37 HG2 LYS 37 -3.647 -4.488 4.358
263 HG3 LYS 37 HG3 LYS 37 -4.380 -4.109 5.912
264 HD2 LYS 37 HD2 LYS 37 -3.982 -6.523 5.573
265 HD3 LYS 37 HD3 LYS 37 -5.685 -6.144 5.837
266 HE2 LYS 37 HE2 LYS 37 -6.173 -6.420 3.515
267 HE3 LYS 37 HE3 LYS 37 -4.460 -6.483 3.102
268 HZ1 LYS 37 HZ1 LYS 37 -5.657 -8.656 3.171
269 HZ2 LYS 37 HZ2 LYS 37 -5.714 -8.523 4.858
270 HZ3 LYS 37 HZ3 LYS 37 -4.225 -8.530 4.026
271 H ALA 38 H ALA 38 -2.870 -2.649 4.361
272 HA ALA 38 HA ALA 38 -2.150 -2.648 1.576
273 HB1 ALA 38 HB1 ALA 38 -0.452 -0.939 1.888
274 HB2 ALA 38 HB2 ALA 38 -0.975 -0.714 3.550
275 HB3 ALA 38 HB3 ALA 38 -2.055 -0.272 2.218
276 H GLU 39 H GLU 39 -0.594 -4.120 1.324
277 HA GLU 39 HA GLU 39 0.989 -4.831 3.692
278 HB2 GLU 39 HB2 GLU 39 -0.447 -6.862 1.979
279 HB3 GLU 39 HB3 GLU 39 0.756 -7.259 3.191
280 HG2 GLU 39 HG2 GLU 39 -0.715 -6.226 4.902
281 HG3 GLU 39 HG3 GLU 39 -1.933 -5.995 3.651
282 H ASN 40 H ASN 40 2.775 -6.396 3.094
283 HA ASN 40 HA ASN 40 4.416 -5.160 1.158
284 HB2 ASN 40 HB2 ASN 40 5.340 -6.293 3.121
285 HB3 ASN 40 HB3 ASN 40 4.701 -7.827 2.551
286 HD21 ASN 40 HD21 ASN 40 6.328 -5.398 0.489
287 HD22 ASN 40 HD22 ASN 40 7.670 -6.411 0.153
288 H PHE 41 H PHE 41 4.526 -5.488 -0.948
289 HA PHE 41 HA PHE 41 3.063 -7.751 -2.065
290 HB2 PHE 41 HB2 PHE 41 2.453 -5.522 -2.889
291 HB3 PHE 41 HB3 PHE 41 4.118 -5.228 -3.354
292 HD1 PHE 41 HD1 PHE 41 4.880 -5.808 -5.485
293 HD2 PHE 41 HD2 PHE 41 1.232 -7.471 -4.037
294 HE1 PHE 41 HE1 PHE 41 4.447 -6.774 -7.689
295 HE2 PHE 41 HE2 PHE 41 0.801 -8.434 -6.241
296 HZ PHE 41 HZ PHE 41 2.403 -8.090 -8.073
297 H LYS 42 H LYS 42 6.183 -6.058 -2.286
298 HA LYS 42 HA LYS 42 7.583 -8.449 -2.933
299 HB2 LYS 42 HB2 LYS 42 6.450 -7.744 -5.092
300 HB3 LYS 42 HB3 LYS 42 7.317 -6.231 -4.998
301 HG2 LYS 42 HG2 LYS 42 9.401 -7.339 -5.344
302 HG3 LYS 42 HG3 LYS 42 8.629 -8.921 -5.215
303 HD2 LYS 42 HD2 LYS 42 7.251 -8.370 -7.190
304 HD3 LYS 42 HD3 LYS 42 8.125 -6.847 -7.341
305 HE2 LYS 42 HE2 LYS 42 10.200 -8.043 -7.703
306 HE3 LYS 42 HE3 LYS 42 9.383 -9.585 -7.446
307 HZ1 LYS 42 HZ1 LYS 42 8.054 -9.156 -9.409
308 HZ2 LYS 42 HZ2 LYS 42 9.690 -9.055 -9.818
309 HZ3 LYS 42 HZ3 LYS 42 8.787 -7.669 -9.623
310 H ASP 43 H ASP 43 9.971 -7.631 -3.352
311 HA ASP 43 HA ASP 43 10.783 -5.938 -1.281
312 HB2 ASP 43 HB2 ASP 43 12.259 -6.666 -3.842
313 HB3 ASP 43 HB3 ASP 43 12.980 -5.774 -2.521
314 H TYR 44 H TYR 44 10.613 -3.868 -1.060
315 HA TYR 44 HA TYR 44 10.372 -1.651 -1.425
316 HB2 TYR 44 HB2 TYR 44 11.534 -2.296 -4.141
317 HB3 TYR 44 HB3 TYR 44 11.151 -0.661 -3.623
318 HD1 TYR 44 HD1 TYR 44 12.347 0.294 -1.664
319 HD2 TYR 44 HD2 TYR 44 13.523 -3.355 -3.470
320 HE1 TYR 44 HE1 TYR 44 14.549 0.488 -0.593
321 HE2 TYR 44 HE2 TYR 44 15.710 -3.185 -2.410
322 HH TYR 44 HH TYR 44 17.150 -1.243 -1.554
323 H TYR 45 H TYR 45 8.229 -3.625 -2.164
324 HA TYR 45 HA TYR 45 6.505 -1.612 -3.411
325 HB2 TYR 45 HB2 TYR 45 6.685 -4.491 -4.270
326 HB3 TYR 45 HB3 TYR 45 5.326 -3.455 -4.657
327 HD1 TYR 45 HD1 TYR 45 8.538 -4.592 -5.707
328 HD2 TYR 45 HD2 TYR 45 5.857 -1.303 -5.977
329 HE1 TYR 45 HE1 TYR 45 9.662 -3.853 -7.744
330 HE2 TYR 45 HE2 TYR 45 6.979 -0.544 -8.010
331 HH TYR 45 HH TYR 45 9.196 -0.807 -9.104
332 H CYS 46 H CYS 46 4.588 -1.437 -2.633
333 HA CYS 46 HA CYS 46 3.632 -3.441 -0.711
334 HB2 CYS 46 HB2 CYS 46 3.439 -0.434 -0.542
335 HB3 CYS 46 HB3 CYS 46 2.456 -1.520 0.432
336 H ASN 47 H ASN 47 1.468 -3.925 -0.823
337 HA ASN 47 HA ASN 47 0.185 -2.946 -3.262
338 HB2 ASN 47 HB2 ASN 47 0.469 -5.391 -3.141
339 HB3 ASN 47 HB3 ASN 47 -0.417 -5.418 -1.617
340 HD21 ASN 47 HD21 ASN 47 -2.660 -5.363 -1.666
341 HD22 ASN 47 HD22 ASN 47 -3.540 -5.403 -3.134
342 H CYS 48 H CYS 48 -1.154 -1.387 -2.971
343 HA CYS 48 HA CYS 48 -2.452 -0.986 -0.409
344 HB2 CYS 48 HB2 CYS 48 -2.752 0.710 -2.924
345 HB3 CYS 48 HB3 CYS 48 -3.110 1.129 -1.256
346 H HIS 49 H HIS 49 -4.562 -1.409 -0.067
347 HA HIS 49 HA HIS 49 -6.082 -2.632 -2.249
348 HB2 HIS 49 HB2 HIS 49 -6.496 -2.703 0.763
349 HB3 HIS 49 HB3 HIS 49 -7.538 -3.488 -0.413
350 HD1 HIS 49 HD3 HIS 49 -7.101 -5.909 -0.518
351 HD2 HIS 49 HD2 HIS 49 -3.681 -3.751 0.414
352 HE1 HIS 49 HE1 HIS 49 -5.266 -7.620 -0.192
353 H ILE 50 H ILE 50 -7.139 -1.040 -3.221
354 HA ILE 50 HA ILE 50 -8.134 1.133 -1.541
355 HB ILE 50 HB ILE 50 -8.239 1.160 -4.559
356 HG12 ILE 50 HG12 ILE 50 -5.838 2.001 -2.905
357 HG13 ILE 50 HG13 ILE 50 -5.908 0.494 -3.804
358 HG21 ILE 50 HG21 ILE 50 -7.827 3.224 -2.414
359 HG22 ILE 50 HG22 ILE 50 -9.357 2.917 -3.245
360 HG23 ILE 50 HG23 ILE 50 -7.974 3.581 -4.137
361 HD11 ILE 50 HD11 ILE 50 -4.671 2.121 -5.042
362 HD12 ILE 50 HD12 ILE 50 -5.996 3.280 -4.932
363 HD13 ILE 50 HD13 ILE 50 -6.188 1.807 -5.883
364 H ILE 51 H ILE 51 -10.231 1.331 -1.174
365 HA ILE 51 HA ILE 51 -11.974 -0.827 -1.802
366 HB ILE 51 HB ILE 51 -12.591 1.851 -0.515
367 HG12 ILE 51 HG12 ILE 51 -11.972 -0.807 0.773
368 HG13 ILE 51 HG13 ILE 51 -10.832 0.531 0.641
369 HG21 ILE 51 HG21 ILE 51 -14.534 0.703 0.444
370 HG22 ILE 51 HG22 ILE 51 -14.125 -0.748 -0.474
371 HG23 ILE 51 HG23 ILE 51 -14.603 0.724 -1.319
372 HD11 ILE 51 HD11 ILE 51 -13.433 0.554 2.159
373 HD12 ILE 51 HD12 ILE 51 -12.298 1.899 2.028
374 HD13 ILE 51 HD13 ILE 51 -11.817 0.418 2.853
375 H ILE 52 H ILE 52 -13.327 -1.018 -3.491
376 HA ILE 52 HA ILE 52 -13.660 1.174 -5.366
377 HB ILE 52 HB ILE 52 -14.741 -1.669 -5.410
378 HG12 ILE 52 HG12 ILE 52 -12.294 -1.584 -5.597
379 HG13 ILE 52 HG13 ILE 52 -13.028 -2.128 -7.099
380 HG21 ILE 52 HG21 ILE 52 -14.769 0.372 -7.626
381 HG22 ILE 52 HG22 ILE 52 -16.169 -0.204 -6.731
382 HG23 ILE 52 HG23 ILE 52 -15.275 -1.313 -7.775
383 HD11 ILE 52 HD11 ILE 52 -12.722 0.125 -8.032
384 HD12 ILE 52 HD12 ILE 52 -11.204 -0.624 -7.550
385 HD13 ILE 52 HD13 ILE 52 -11.932 0.619 -6.533
386 H HIS 53 H HIS 53 -15.404 -0.350 -2.819
387 HA HIS 53 HA HIS 53 -18.003 0.604 -3.708
388 HB2 HIS 53 HB2 HIS 53 -17.271 -1.003 -1.245
389 HB3 HIS 53 HB3 HIS 53 -18.898 -0.678 -1.825
390 HD1 HIS 53 HD3 HIS 53 -19.878 -2.479 -3.304
391 HD2 HIS 53 HD2 HIS 53 -15.736 -2.654 -3.066
392 HE1 HIS 53 HE1 HIS 53 -19.203 -4.592 -4.497
Start of MODEL 18
1 H1 GLU 1 1HT GLU 1 -12.988 -5.814 -2.533
2 H2 GLU 1 2HT GLU 1 -12.835 -6.197 -4.186
3 H3 GLU 1 3HT GLU 1 -14.260 -6.515 -3.386
4 HA GLU 1 HA GLU 1 -14.329 -4.509 -4.809
5 HB2 GLU 1 HB2 GLU 1 -15.481 -3.131 -3.144
6 HB3 GLU 1 HB3 GLU 1 -15.921 -4.818 -2.963
7 HG2 GLU 1 HG2 GLU 1 -14.351 -4.998 -1.076
8 HG3 GLU 1 HG3 GLU 1 -13.973 -3.287 -1.254
9 H GLU 2 H GLU 2 -11.451 -4.874 -4.138
10 HA GLU 2 HA GLU 2 -10.831 -2.157 -3.296
11 HB2 GLU 2 HB2 GLU 2 -8.988 -4.548 -3.160
12 HB3 GLU 2 HB3 GLU 2 -8.707 -2.952 -2.504
13 HG2 GLU 2 HG2 GLU 2 -9.206 -4.201 -0.617
14 HG3 GLU 2 HG3 GLU 2 -10.752 -3.466 -1.007
15 H THR 3 H THR 3 -9.285 -1.105 -4.415
16 HA THR 3 HA THR 3 -8.507 -2.106 -7.034
17 HB THR 3 HB THR 3 -8.222 0.598 -5.734
18 HG1 THR 3 HG1 THR 3 -10.237 -0.600 -7.274
19 HG21 THR 3 HG21 THR 3 -7.813 1.437 -8.017
20 HG22 THR 3 HG22 THR 3 -7.968 -0.203 -8.637
21 HG23 THR 3 HG23 THR 3 -6.625 0.210 -7.567
22 H GLU 4 H GLU 4 -6.723 -3.256 -6.765
23 HA GLU 4 HA GLU 4 -4.936 -2.665 -4.561
24 HB2 GLU 4 HB2 GLU 4 -5.151 -5.048 -6.359
25 HB3 GLU 4 HB3 GLU 4 -3.910 -4.855 -5.131
26 HG2 GLU 4 HG2 GLU 4 -5.576 -4.775 -3.398
27 HG3 GLU 4 HG3 GLU 4 -6.865 -4.847 -4.603
28 H GLU 5 H GLU 5 -3.624 -1.182 -4.998
29 HA GLU 5 HA GLU 5 -2.292 -1.077 -7.610
30 HB2 GLU 5 HB2 GLU 5 -3.663 0.869 -6.825
31 HB3 GLU 5 HB3 GLU 5 -2.532 1.039 -5.489
32 HG2 GLU 5 HG2 GLU 5 -2.074 2.632 -7.261
33 HG3 GLU 5 HG3 GLU 5 -0.731 1.504 -7.056
34 HA PRO 6 HA PRO 6 1.327 -2.292 -5.117
35 HB2 PRO 6 HB2 PRO 6 2.627 -2.415 -7.757
36 HB3 PRO 6 HB3 PRO 6 2.439 -3.696 -6.555
37 HG2 PRO 6 HG2 PRO 6 1.072 -3.739 -8.869
38 HG3 PRO 6 HG3 PRO 6 0.365 -4.325 -7.354
39 HD2 PRO 6 HD2 PRO 6 -0.056 -1.693 -8.733
40 HD3 PRO 6 HD3 PRO 6 -1.242 -2.780 -7.974
41 H ILE 7 H ILE 7 2.408 -0.697 -4.223
42 HA ILE 7 HA ILE 7 3.323 1.592 -5.846
43 HB ILE 7 HB ILE 7 3.271 2.953 -3.785
44 HG12 ILE 7 HG12 ILE 7 2.355 0.527 -2.274
45 HG13 ILE 7 HG13 ILE 7 4.073 0.898 -2.390
46 HG21 ILE 7 HG21 ILE 7 0.836 1.304 -4.021
47 HG22 ILE 7 HG22 ILE 7 1.237 2.786 -4.903
48 HG23 ILE 7 HG23 ILE 7 1.037 2.815 -3.136
49 HD11 ILE 7 HD11 ILE 7 3.129 1.736 -0.348
50 HD12 ILE 7 HD12 ILE 7 1.943 2.681 -1.283
51 HD13 ILE 7 HD13 ILE 7 3.673 3.041 -1.407
52 H ARG 8 H ARG 8 5.441 2.471 -5.140
53 HA ARG 8 HA ARG 8 7.188 0.290 -4.303
54 HB2 ARG 8 HB2 ARG 8 8.070 2.945 -5.484
55 HB3 ARG 8 HB3 ARG 8 9.012 1.493 -5.174
56 HG2 ARG 8 HG2 ARG 8 7.679 0.298 -6.810
57 HG3 ARG 8 HG3 ARG 8 6.926 1.833 -7.272
58 HD2 ARG 8 HD2 ARG 8 8.841 1.251 -8.728
59 HD3 ARG 8 HD3 ARG 8 9.111 2.753 -7.836
60 HE ARG 8 HE ARG 8 10.343 1.231 -6.204
61 HH11 ARG 8 HH11 ARG 8 10.457 0.776 -9.716
62 HH12 ARG 8 HH12 ARG 8 11.897 -0.130 -9.678
63 HH21 ARG 8 HH21 ARG 8 12.288 0.097 -6.153
64 HH22 ARG 8 HH22 ARG 8 12.983 -0.519 -7.592
65 H HIS 9 H HIS 9 8.341 0.434 -2.498
66 HA HIS 9 HA HIS 9 7.975 2.838 -0.843
67 HB2 HIS 9 HB2 HIS 9 6.709 0.706 -0.131
68 HB3 HIS 9 HB3 HIS 9 8.288 0.023 0.231
69 HD1 HIS 9 HD3 HIS 9 9.259 0.602 2.549
70 HD2 HIS 9 HD2 HIS 9 6.003 2.949 1.479
71 HE1 HIS 9 HE1 HIS 9 8.685 1.968 4.574
72 H ALA 10 H ALA 10 9.785 2.976 0.847
73 HA ALA 10 HA ALA 10 12.312 2.653 -0.548
74 HB1 ALA 10 HB1 ALA 10 13.192 4.174 1.116
75 HB2 ALA 10 HB2 ALA 10 11.674 4.101 2.015
76 HB3 ALA 10 HB3 ALA 10 11.714 4.824 0.405
77 H LYS 11 H LYS 11 10.940 0.339 0.837
78 HA LYS 11 HA LYS 11 13.241 -0.479 2.449
79 HB2 LYS 11 HB2 LYS 11 10.337 -0.895 3.197
80 HB3 LYS 11 HB3 LYS 11 11.684 -1.693 3.973
81 HG2 LYS 11 HG2 LYS 11 11.197 1.276 3.965
82 HG3 LYS 11 HG3 LYS 11 10.757 0.177 5.269
83 HD2 LYS 11 HD2 LYS 11 13.179 -0.437 5.456
84 HD3 LYS 11 HD3 LYS 11 13.531 0.836 4.284
85 HE2 LYS 11 HE2 LYS 11 13.871 1.666 6.538
86 HE3 LYS 11 HE3 LYS 11 12.507 2.488 5.790
87 HZ1 LYS 11 HZ1 LYS 11 12.314 0.229 7.718
88 HZ2 LYS 11 HZ2 LYS 11 10.992 1.006 7.033
89 HZ3 LYS 11 HZ3 LYS 11 11.997 1.829 8.088
90 H LYS 12 H LYS 12 13.835 -2.542 2.032
91 HA LYS 12 HA LYS 12 12.976 -3.930 -0.225
92 HB2 LYS 12 HB2 LYS 12 15.127 -4.399 0.786
93 HB3 LYS 12 HB3 LYS 12 14.357 -4.910 2.278
94 HG2 LYS 12 HG2 LYS 12 13.373 -6.833 1.080
95 HG3 LYS 12 HG3 LYS 12 14.234 -6.334 -0.376
96 HD2 LYS 12 HD2 LYS 12 16.359 -6.645 0.700
97 HD3 LYS 12 HD3 LYS 12 15.575 -6.956 2.245
98 HE2 LYS 12 HE2 LYS 12 16.345 -9.027 1.200
99 HE3 LYS 12 HE3 LYS 12 14.595 -9.005 1.360
100 HZ1 LYS 12 HZ1 LYS 12 14.389 -8.559 -0.979
101 HZ2 LYS 12 HZ2 LYS 12 15.459 -9.857 -0.787
102 HZ3 LYS 12 HZ3 LYS 12 16.056 -8.333 -1.126
103 H ASN 13 H ASN 13 12.215 -4.501 3.170
104 HA ASN 13 HA ASN 13 9.691 -5.692 2.305
105 HB2 ASN 13 HB2 ASN 13 11.289 -7.527 2.941
106 HB3 ASN 13 HB3 ASN 13 11.411 -6.810 4.540
107 HD21 ASN 13 HD21 ASN 13 9.369 -8.579 2.339
108 HD22 ASN 13 HD22 ASN 13 8.213 -9.081 3.509
109 HA PRO 14 HA PRO 14 9.003 -2.337 5.271
110 HB2 PRO 14 HB2 PRO 14 6.576 -1.782 3.818
111 HB3 PRO 14 HB3 PRO 14 8.032 -0.794 3.933
112 HG2 PRO 14 HG2 PRO 14 7.202 -2.047 1.638
113 HG3 PRO 14 HG3 PRO 14 8.883 -1.612 1.966
114 HD2 PRO 14 HD2 PRO 14 7.507 -4.241 2.222
115 HD3 PRO 14 HD3 PRO 14 9.151 -3.867 1.653
116 H SER 15 H SER 15 7.643 -2.175 6.934
117 HA SER 15 HA SER 15 6.133 -4.462 7.709
118 HB2 SER 15 HB2 SER 15 6.160 -1.733 8.978
119 HB3 SER 15 HB3 SER 15 5.896 -3.293 9.760
120 HG SER 15 HG SER 15 8.263 -2.184 8.728
121 H GLU 16 H GLU 16 3.798 -4.157 8.534
122 HA GLU 16 HA GLU 16 2.128 -3.309 6.443
123 HB2 GLU 16 HB2 GLU 16 1.383 -3.729 9.337
124 HB3 GLU 16 HB3 GLU 16 0.256 -3.615 7.997
125 HG2 GLU 16 HG2 GLU 16 1.357 -5.627 7.025
126 HG3 GLU 16 HG3 GLU 16 2.264 -5.773 8.531
127 H GLY 17 H GLY 17 2.927 -1.724 9.523
128 HA2 GLY 17 HA2 GLY 17 1.294 0.518 9.235
129 HA3 GLY 17 HA3 GLY 17 2.814 0.487 10.123
130 H GLU 18 H GLU 18 4.523 -0.105 8.008
131 HA GLU 18 HA GLU 18 5.050 2.458 6.966
132 HB2 GLU 18 HB2 GLU 18 6.127 -0.232 6.113
133 HB3 GLU 18 HB3 GLU 18 6.771 1.316 5.593
134 HG2 GLU 18 HG2 GLU 18 7.343 1.839 7.919
135 HG3 GLU 18 HG3 GLU 18 6.725 0.266 8.416
136 H CYS 19 H CYS 19 4.017 -0.541 5.315
137 HA CYS 19 HA CYS 19 3.596 0.623 2.816
138 HB2 CYS 19 HB2 CYS 19 2.327 -1.862 4.020
139 HB3 CYS 19 HB3 CYS 19 2.115 -1.389 2.368
140 H LYS 20 H LYS 20 1.278 0.028 5.459
141 HA LYS 20 HA LYS 20 -1.005 0.853 4.058
142 HB2 LYS 20 HB2 LYS 20 -0.979 -0.501 6.118
143 HB3 LYS 20 HB3 LYS 20 -0.514 0.916 7.036
144 HG2 LYS 20 HG2 LYS 20 -2.642 1.986 6.495
145 HG3 LYS 20 HG3 LYS 20 -3.104 0.590 5.518
146 HD2 LYS 20 HD2 LYS 20 -2.555 0.561 8.498
147 HD3 LYS 20 HD3 LYS 20 -4.149 0.510 7.746
148 HE2 LYS 20 HE2 LYS 20 -3.566 -1.628 6.667
149 HE3 LYS 20 HE3 LYS 20 -1.976 -1.570 7.417
150 HZ1 LYS 20 HZ1 LYS 20 -3.445 -3.017 8.616
151 HZ2 LYS 20 HZ2 LYS 20 -4.557 -1.791 8.861
152 HZ3 LYS 20 HZ3 LYS 20 -3.024 -1.702 9.580
153 H LYS 21 H LYS 21 1.211 2.690 6.149
154 HA LYS 21 HA LYS 21 -0.359 5.028 5.907
155 HB2 LYS 21 HB2 LYS 21 1.187 4.693 7.803
156 HB3 LYS 21 HB3 LYS 21 2.549 4.800 6.698
157 HG2 LYS 21 HG2 LYS 21 2.251 6.898 7.874
158 HG3 LYS 21 HG3 LYS 21 1.917 7.110 6.155
159 HD2 LYS 21 HD2 LYS 21 -0.511 6.910 6.639
160 HD3 LYS 21 HD3 LYS 21 -0.131 6.792 8.357
161 HE2 LYS 21 HE2 LYS 21 0.501 9.104 6.545
162 HE3 LYS 21 HE3 LYS 21 -0.819 9.054 7.712
163 HZ1 LYS 21 HZ1 LYS 21 0.880 8.809 9.468
164 HZ2 LYS 21 HZ2 LYS 21 1.017 10.247 8.633
165 HZ3 LYS 21 HZ3 LYS 21 2.094 8.998 8.307
166 H ALA 22 H ALA 22 2.383 3.728 4.120
167 HA ALA 22 HA ALA 22 2.883 6.010 2.545
168 HB1 ALA 22 HB1 ALA 22 3.325 3.101 1.874
169 HB2 ALA 22 HB2 ALA 22 4.465 4.149 2.718
170 HB3 ALA 22 HB3 ALA 22 4.047 4.470 1.033
171 H CYS 23 H CYS 23 0.882 3.153 2.004
172 HA CYS 23 HA CYS 23 -0.215 3.766 -0.475
173 HB2 CYS 23 HB2 CYS 23 -1.507 2.386 1.882
174 HB3 CYS 23 HB3 CYS 23 -2.150 2.363 0.248
175 H ALA 24 H ALA 24 -1.326 4.639 2.764
176 HA ALA 24 HA ALA 24 -3.606 6.048 1.931
177 HB1 ALA 24 HB1 ALA 24 -1.982 6.366 4.444
178 HB2 ALA 24 HB2 ALA 24 -3.287 5.206 4.188
179 HB3 ALA 24 HB3 ALA 24 -3.633 6.937 4.190
180 H ASP 25 H ASP 25 -0.427 7.210 2.996
181 HA ASP 25 HA ASP 25 -0.890 9.937 2.759
182 HB2 ASP 25 HB2 ASP 25 1.009 8.957 3.969
183 HB3 ASP 25 HB3 ASP 25 1.725 8.461 2.443
184 H ALA 26 H ALA 26 0.294 7.679 0.329
185 HA ALA 26 HA ALA 26 0.719 9.815 -1.552
186 HB1 ALA 26 HB1 ALA 26 1.464 8.111 -3.077
187 HB2 ALA 26 HB2 ALA 26 0.869 6.851 -1.996
188 HB3 ALA 26 HB3 ALA 26 2.204 7.886 -1.491
189 H PHE 27 H PHE 27 -2.040 7.953 -0.707
190 HA PHE 27 HA PHE 27 -3.099 8.519 -3.392
191 HB2 PHE 27 HB2 PHE 27 -3.588 6.114 -1.681
192 HB3 PHE 27 HB3 PHE 27 -4.749 6.593 -2.913
193 HD1 PHE 27 HD1 PHE 27 -1.740 4.682 -2.296
194 HD2 PHE 27 HD2 PHE 27 -3.810 6.973 -5.270
195 HE1 PHE 27 HE1 PHE 27 -0.527 3.559 -4.010
196 HE2 PHE 27 HE2 PHE 27 -2.526 5.834 -7.002
197 HZ PHE 27 HZ PHE 27 -0.868 4.119 -6.383
198 H ALA 28 H ALA 28 -4.014 8.242 -0.025
199 HA ALA 28 HA ALA 28 -6.393 9.844 -0.613
200 HB1 ALA 28 HB1 ALA 28 -6.818 7.632 0.362
201 HB2 ALA 28 HB2 ALA 28 -7.327 8.933 1.434
202 HB3 ALA 28 HB3 ALA 28 -5.827 8.062 1.755
203 H ASN 29 H ASN 29 -3.451 10.432 0.021
204 HA ASN 29 HA ASN 29 -2.229 12.092 0.911
205 HB2 ASN 29 HB2 ASN 29 -4.942 13.344 1.350
206 HB3 ASN 29 HB3 ASN 29 -3.432 14.178 1.697
207 HD21 ASN 29 HD21 ASN 29 -5.553 14.793 -0.218
208 HD22 ASN 29 HD22 ASN 29 -4.801 14.859 -1.761
209 H GLY 30 H GLY 30 -3.269 9.896 2.643
210 HA2 GLY 30 HA2 GLY 30 -1.951 9.708 4.777
211 HA3 GLY 30 HA3 GLY 30 -2.718 11.224 5.230
212 H ASP 31 H ASP 31 -5.189 10.125 3.834
213 HA ASP 31 HA ASP 31 -6.386 9.087 6.207
214 HB2 ASP 31 HB2 ASP 31 -7.720 10.517 4.868
215 HB3 ASP 31 HB3 ASP 31 -7.450 9.540 3.429
216 H GLN 32 H GLN 32 -6.446 7.090 6.849
217 HA GLN 32 HA GLN 32 -5.850 4.949 4.989
218 HB2 GLN 32 HB2 GLN 32 -6.032 4.962 8.001
219 HB3 GLN 32 HB3 GLN 32 -5.573 3.578 7.021
220 HG2 GLN 32 HG2 GLN 32 -3.665 4.852 6.159
221 HG3 GLN 32 HG3 GLN 32 -4.111 6.193 7.198
222 HE21 GLN 32 HE21 GLN 32 -1.715 4.532 7.083
223 HE22 GLN 32 HE22 GLN 32 -1.501 3.920 8.693
224 H SER 33 H SER 33 -8.615 6.446 5.678
225 HA SER 33 HA SER 33 -10.204 4.185 6.444
226 HB2 SER 33 HB2 SER 33 -10.771 6.521 7.123
227 HB3 SER 33 HB3 SER 33 -11.079 6.907 5.432
228 HG SER 33 HG SER 33 -12.818 5.672 5.427
229 H LYS 34 H LYS 34 -9.030 5.573 3.557
230 HA LYS 34 HA LYS 34 -10.946 4.145 1.891
231 HB2 LYS 34 HB2 LYS 34 -8.566 5.832 1.108
232 HB3 LYS 34 HB3 LYS 34 -9.790 5.210 0.007
233 HG2 LYS 34 HG2 LYS 34 -11.489 6.523 1.153
234 HG3 LYS 34 HG3 LYS 34 -10.266 7.129 2.264
235 HD2 LYS 34 HD2 LYS 34 -9.069 8.098 0.299
236 HD3 LYS 34 HD3 LYS 34 -10.445 7.617 -0.704
237 HE2 LYS 34 HE2 LYS 34 -10.689 9.925 -0.051
238 HE3 LYS 34 HE3 LYS 34 -11.928 8.954 0.745
239 HZ1 LYS 34 HZ1 LYS 34 -9.470 10.100 1.932
240 HZ2 LYS 34 HZ2 LYS 34 -10.330 8.921 2.725
241 HZ3 LYS 34 HZ3 LYS 34 -11.054 10.406 2.376
242 H ILE 35 H ILE 35 -8.403 3.254 3.612
243 HA ILE 35 HA ILE 35 -7.332 1.451 1.567
244 HB ILE 35 HB ILE 35 -6.124 2.227 4.248
245 HG12 ILE 35 HG12 ILE 35 -6.049 4.115 2.677
246 HG13 ILE 35 HG13 ILE 35 -4.436 3.479 2.965
247 HG21 ILE 35 HG21 ILE 35 -4.093 1.078 3.453
248 HG22 ILE 35 HG22 ILE 35 -4.971 0.555 2.013
249 HG23 ILE 35 HG23 ILE 35 -5.468 -0.017 3.599
250 HD11 ILE 35 HD11 ILE 35 -4.532 2.309 0.805
251 HD12 ILE 35 HD12 ILE 35 -4.742 4.051 0.630
252 HD13 ILE 35 HD13 ILE 35 -6.142 2.981 0.530
253 H ALA 36 H ALA 36 -7.861 -0.633 1.741
254 HA ALA 36 HA ALA 36 -9.381 -1.542 4.028
255 HB1 ALA 36 HB1 ALA 36 -9.568 -3.652 2.767
256 HB2 ALA 36 HB2 ALA 36 -8.448 -3.026 1.557
257 HB3 ALA 36 HB3 ALA 36 -10.028 -2.271 1.769
258 H LYS 37 H LYS 37 -6.300 -2.159 2.441
259 HA LYS 37 HA LYS 37 -4.888 -2.566 4.805
260 HB2 LYS 37 HB2 LYS 37 -4.183 -4.929 4.348
261 HB3 LYS 37 HB3 LYS 37 -5.828 -4.761 4.969
262 HG2 LYS 37 HG2 LYS 37 -6.706 -5.147 2.739
263 HG3 LYS 37 HG3 LYS 37 -5.074 -5.186 2.078
264 HD2 LYS 37 HD2 LYS 37 -6.003 -7.450 2.361
265 HD3 LYS 37 HD3 LYS 37 -4.577 -7.196 3.365
266 HE2 LYS 37 HE2 LYS 37 -5.987 -6.807 5.303
267 HE3 LYS 37 HE3 LYS 37 -7.433 -6.982 4.314
268 HZ1 LYS 37 HZ1 LYS 37 -6.853 -8.948 5.614
269 HZ2 LYS 37 HZ2 LYS 37 -5.417 -9.128 4.757
270 HZ3 LYS 37 HZ3 LYS 37 -6.918 -9.281 3.969
271 H ALA 38 H ALA 38 -2.665 -3.445 4.228
272 HA ALA 38 HA ALA 38 -1.868 -3.028 1.491
273 HB1 ALA 38 HB1 ALA 38 -0.096 -1.466 2.148
274 HB2 ALA 38 HB2 ALA 38 -0.715 -1.457 3.797
275 HB3 ALA 38 HB3 ALA 38 -1.692 -0.796 2.481
276 H GLU 39 H GLU 39 -0.305 -4.440 1.042
277 HA GLU 39 HA GLU 39 1.031 -5.755 3.290
278 HB2 GLU 39 HB2 GLU 39 -1.034 -7.026 2.696
279 HB3 GLU 39 HB3 GLU 39 -0.410 -7.228 1.070
280 HG2 GLU 39 HG2 GLU 39 1.435 -8.545 1.911
281 HG3 GLU 39 HG3 GLU 39 0.893 -8.271 3.564
282 H ASN 40 H ASN 40 2.893 -7.029 2.569
283 HA ASN 40 HA ASN 40 4.528 -5.637 0.742
284 HB2 ASN 40 HB2 ASN 40 5.480 -6.917 2.598
285 HB3 ASN 40 HB3 ASN 40 4.855 -8.410 1.910
286 HD21 ASN 40 HD21 ASN 40 7.246 -5.950 1.659
287 HD22 ASN 40 HD22 ASN 40 8.269 -6.782 0.532
288 H PHE 41 H PHE 41 4.697 -5.799 -1.359
289 HA PHE 41 HA PHE 41 3.233 -7.913 -2.762
290 HB2 PHE 41 HB2 PHE 41 2.718 -5.605 -3.410
291 HB3 PHE 41 HB3 PHE 41 4.413 -5.292 -3.708
292 HD1 PHE 41 HD1 PHE 41 5.433 -5.866 -5.780
293 HD2 PHE 41 HD2 PHE 41 1.436 -7.102 -4.962
294 HE1 PHE 41 HE1 PHE 41 5.163 -6.483 -8.119
295 HE2 PHE 41 HE2 PHE 41 1.154 -7.723 -7.323
296 HZ PHE 41 HZ PHE 41 3.015 -7.418 -8.910
297 H LYS 42 H LYS 42 6.410 -6.384 -2.535
298 HA LYS 42 HA LYS 42 7.877 -8.670 -3.226
299 HB2 LYS 42 HB2 LYS 42 6.962 -8.128 -5.490
300 HB3 LYS 42 HB3 LYS 42 7.526 -6.486 -5.338
301 HG2 LYS 42 HG2 LYS 42 8.877 -7.809 -6.883
302 HG3 LYS 42 HG3 LYS 42 9.812 -7.220 -5.518
303 HD2 LYS 42 HD2 LYS 42 9.798 -9.401 -4.495
304 HD3 LYS 42 HD3 LYS 42 8.653 -10.003 -5.691
305 HE2 LYS 42 HE2 LYS 42 10.977 -10.752 -6.126
306 HE3 LYS 42 HE3 LYS 42 10.313 -9.806 -7.448
307 HZ1 LYS 42 HZ1 LYS 42 11.590 -7.894 -6.674
308 HZ2 LYS 42 HZ2 LYS 42 12.589 -9.190 -6.954
309 HZ3 LYS 42 HZ3 LYS 42 12.183 -8.789 -5.365
310 H ASP 43 H ASP 43 10.290 -7.636 -3.665
311 HA ASP 43 HA ASP 43 10.952 -6.122 -1.390
312 HB2 ASP 43 HB2 ASP 43 12.613 -6.183 -3.913
313 HB3 ASP 43 HB3 ASP 43 13.159 -5.968 -2.265
314 H TYR 44 H TYR 44 10.622 -4.068 -1.043
315 HA TYR 44 HA TYR 44 10.384 -1.851 -1.281
316 HB2 TYR 44 HB2 TYR 44 11.491 -2.268 -4.067
317 HB3 TYR 44 HB3 TYR 44 11.117 -0.696 -3.378
318 HD1 TYR 44 HD1 TYR 44 13.410 -3.541 -3.323
319 HD2 TYR 44 HD2 TYR 44 12.511 0.248 -1.644
320 HE1 TYR 44 HE1 TYR 44 15.651 -3.453 -2.353
321 HE2 TYR 44 HE2 TYR 44 14.748 0.361 -0.661
322 HH TYR 44 HH TYR 44 16.502 -1.257 0.021
323 H TYR 45 H TYR 45 8.322 -3.904 -2.212
324 HA TYR 45 HA TYR 45 6.579 -1.893 -3.455
325 HB2 TYR 45 HB2 TYR 45 6.800 -4.794 -4.240
326 HB3 TYR 45 HB3 TYR 45 5.475 -3.741 -4.711
327 HD1 TYR 45 HD1 TYR 45 5.968 -1.765 -6.121
328 HD2 TYR 45 HD2 TYR 45 8.832 -4.810 -5.450
329 HE1 TYR 45 HE1 TYR 45 7.216 -1.037 -8.118
330 HE2 TYR 45 HE2 TYR 45 10.082 -4.105 -7.423
331 HH TYR 45 HH TYR 45 9.725 -2.919 -9.469
332 H CYS 46 H CYS 46 4.683 -1.716 -2.719
333 HA CYS 46 HA CYS 46 3.688 -3.696 -0.780
334 HB2 CYS 46 HB2 CYS 46 3.321 -0.686 -0.632
335 HB3 CYS 46 HB3 CYS 46 2.591 -1.858 0.457
336 H ASN 47 H ASN 47 1.664 -4.373 -1.181
337 HA ASN 47 HA ASN 47 0.320 -3.251 -3.515
338 HB2 ASN 47 HB2 ASN 47 0.680 -5.732 -3.402
339 HB3 ASN 47 HB3 ASN 47 -0.278 -5.775 -1.929
340 HD21 ASN 47 HD21 ASN 47 -2.502 -5.840 -2.104
341 HD22 ASN 47 HD22 ASN 47 -3.310 -5.914 -3.613
342 H CYS 48 H CYS 48 -0.980 -1.680 -3.106
343 HA CYS 48 HA CYS 48 -2.118 -1.368 -0.471
344 HB2 CYS 48 HB2 CYS 48 -2.228 0.467 -2.888
345 HB3 CYS 48 HB3 CYS 48 -2.682 0.833 -1.220
346 H HIS 49 H HIS 49 -4.145 -1.980 -0.030
347 HA HIS 49 HA HIS 49 -5.832 -2.747 -2.272
348 HB2 HIS 49 HB2 HIS 49 -6.108 -3.314 0.698
349 HB3 HIS 49 HB3 HIS 49 -7.138 -3.970 -0.568
350 HD1 HIS 49 HD3 HIS 49 -6.551 -6.399 -1.027
351 HD2 HIS 49 HD2 HIS 49 -3.240 -4.161 0.123
352 HE1 HIS 49 HE1 HIS 49 -4.627 -8.004 -0.928
353 H ILE 50 H ILE 50 -6.479 -0.749 -2.844
354 HA ILE 50 HA ILE 50 -7.403 1.076 -0.793
355 HB ILE 50 HB ILE 50 -7.379 1.553 -3.788
356 HG12 ILE 50 HG12 ILE 50 -5.122 2.111 -1.841
357 HG13 ILE 50 HG13 ILE 50 -5.118 0.785 -2.994
358 HG21 ILE 50 HG21 ILE 50 -8.596 3.133 -2.351
359 HG22 ILE 50 HG22 ILE 50 -7.139 3.892 -3.032
360 HG23 ILE 50 HG23 ILE 50 -7.143 3.299 -1.365
361 HD11 ILE 50 HD11 ILE 50 -5.188 2.390 -4.833
362 HD12 ILE 50 HD12 ILE 50 -3.792 2.657 -3.786
363 HD13 ILE 50 HD13 ILE 50 -5.197 3.717 -3.670
364 H ILE 51 H ILE 51 -9.520 1.398 -0.428
365 HA ILE 51 HA ILE 51 -11.398 -0.424 -1.573
366 HB ILE 51 HB ILE 51 -11.889 2.001 0.205
367 HG12 ILE 51 HG12 ILE 51 -11.589 -0.915 0.958
368 HG13 ILE 51 HG13 ILE 51 -10.352 0.312 1.191
369 HG21 ILE 51 HG21 ILE 51 -14.011 0.871 0.770
370 HG22 ILE 51 HG22 ILE 51 -13.642 -0.390 -0.408
371 HG23 ILE 51 HG23 ILE 51 -13.916 1.266 -0.948
372 HD11 ILE 51 HD11 ILE 51 -11.527 -0.164 3.258
373 HD12 ILE 51 HD12 ILE 51 -13.062 0.246 2.493
374 HD13 ILE 51 HD13 ILE 51 -11.839 1.494 2.738
375 H ILE 52 H ILE 52 -12.733 -0.073 -3.266
376 HA ILE 52 HA ILE 52 -12.249 2.007 -5.072
377 HB ILE 52 HB ILE 52 -14.664 0.199 -4.866
378 HG12 ILE 52 HG12 ILE 52 -12.201 -0.012 -6.615
379 HG13 ILE 52 HG13 ILE 52 -12.519 -0.979 -5.183
380 HG21 ILE 52 HG21 ILE 52 -15.084 0.755 -7.231
381 HG22 ILE 52 HG22 ILE 52 -13.766 1.925 -7.179
382 HG23 ILE 52 HG23 ILE 52 -15.205 2.174 -6.191
383 HD11 ILE 52 HD11 ILE 52 -14.465 -1.966 -6.280
384 HD12 ILE 52 HD12 ILE 52 -12.991 -2.222 -7.215
385 HD13 ILE 52 HD13 ILE 52 -14.151 -0.988 -7.713
386 H HIS 53 H HIS 53 -15.112 1.513 -2.992
387 HA HIS 53 HA HIS 53 -15.836 4.281 -3.542
388 HB2 HIS 53 HB2 HIS 53 -17.542 2.485 -3.924
389 HB3 HIS 53 HB3 HIS 53 -17.494 2.112 -2.213
390 HD1 HIS 53 HD3 HIS 53 -18.809 4.614 -4.650
391 HD2 HIS 53 HD2 HIS 53 -18.850 3.909 -0.563
392 HE1 HIS 53 HE1 HIS 53 -20.505 6.217 -3.702
Start of MODEL 19
1 H1 GLU 1 1HT GLU 1 -15.974 -2.869 -3.567
2 H2 GLU 1 2HT GLU 1 -15.195 -4.338 -3.425
3 H3 GLU 1 3HT GLU 1 -16.425 -4.173 -4.562
4 HA GLU 1 HA GLU 1 -14.315 -4.244 -5.590
5 HB2 GLU 1 HB2 GLU 1 -15.594 -1.521 -5.612
6 HB3 GLU 1 HB3 GLU 1 -14.271 -1.949 -6.690
7 HG2 GLU 1 HG2 GLU 1 -15.593 -3.710 -7.664
8 HG3 GLU 1 HG3 GLU 1 -16.904 -3.387 -6.536
9 H GLU 2 H GLU 2 -12.298 -4.287 -5.174
10 HA GLU 2 HA GLU 2 -11.068 -2.241 -3.450
11 HB2 GLU 2 HB2 GLU 2 -11.429 -4.438 -2.318
12 HB3 GLU 2 HB3 GLU 2 -10.454 -5.199 -3.559
13 HG2 GLU 2 HG2 GLU 2 -8.574 -3.660 -2.824
14 HG3 GLU 2 HG3 GLU 2 -9.603 -3.229 -1.484
15 H THR 3 H THR 3 -9.486 -1.219 -4.563
16 HA THR 3 HA THR 3 -8.421 -2.424 -7.005
17 HB THR 3 HB THR 3 -7.846 0.327 -5.902
18 HG1 THR 3 HG1 THR 3 -10.012 -0.589 -7.505
19 HG21 THR 3 HG21 THR 3 -6.397 -0.440 -7.707
20 HG22 THR 3 HG22 THR 3 -7.471 0.842 -8.282
21 HG23 THR 3 HG23 THR 3 -7.808 -0.839 -8.686
22 H GLU 4 H GLU 4 -6.415 -3.321 -6.963
23 HA GLU 4 HA GLU 4 -4.742 -2.779 -4.639
24 HB2 GLU 4 HB2 GLU 4 -4.782 -5.084 -6.573
25 HB3 GLU 4 HB3 GLU 4 -3.554 -4.855 -5.332
26 HG2 GLU 4 HG2 GLU 4 -5.202 -5.024 -3.599
27 HG3 GLU 4 HG3 GLU 4 -6.496 -5.111 -4.793
28 H GLU 5 H GLU 5 -3.236 -1.424 -4.940
29 HA GLU 5 HA GLU 5 -2.083 -1.067 -7.628
30 HB2 GLU 5 HB2 GLU 5 -3.458 0.831 -6.710
31 HB3 GLU 5 HB3 GLU 5 -2.276 0.985 -5.423
32 HG2 GLU 5 HG2 GLU 5 -1.778 2.631 -7.057
33 HG3 GLU 5 HG3 GLU 5 -0.540 1.379 -7.183
34 HA PRO 6 HA PRO 6 1.602 -2.273 -5.233
35 HB2 PRO 6 HB2 PRO 6 2.948 -2.376 -7.806
36 HB3 PRO 6 HB3 PRO 6 2.615 -3.696 -6.686
37 HG2 PRO 6 HG2 PRO 6 1.389 -3.458 -9.111
38 HG3 PRO 6 HG3 PRO 6 0.637 -4.246 -7.714
39 HD2 PRO 6 HD2 PRO 6 0.187 -1.505 -8.816
40 HD3 PRO 6 HD3 PRO 6 -0.974 -2.667 -8.134
41 H ILE 7 H ILE 7 2.520 -0.578 -4.319
42 HA ILE 7 HA ILE 7 3.470 1.695 -5.953
43 HB ILE 7 HB ILE 7 3.337 3.080 -3.915
44 HG12 ILE 7 HG12 ILE 7 2.338 0.694 -2.409
45 HG13 ILE 7 HG13 ILE 7 4.075 1.002 -2.473
46 HG21 ILE 7 HG21 ILE 7 0.980 1.334 -4.309
47 HG22 ILE 7 HG22 ILE 7 1.348 2.864 -5.120
48 HG23 ILE 7 HG23 ILE 7 1.020 2.823 -3.382
49 HD11 ILE 7 HD11 ILE 7 1.956 2.850 -1.440
50 HD12 ILE 7 HD12 ILE 7 3.691 3.193 -1.554
51 HD13 ILE 7 HD13 ILE 7 3.116 1.910 -0.477
52 H ARG 8 H ARG 8 5.479 2.729 -5.024
53 HA ARG 8 HA ARG 8 7.389 0.573 -4.485
54 HB2 ARG 8 HB2 ARG 8 7.985 3.388 -5.414
55 HB3 ARG 8 HB3 ARG 8 9.099 2.027 -5.343
56 HG2 ARG 8 HG2 ARG 8 7.671 0.885 -6.983
57 HG3 ARG 8 HG3 ARG 8 6.790 2.398 -7.188
58 HD2 ARG 8 HD2 ARG 8 9.727 1.925 -7.684
59 HD3 ARG 8 HD3 ARG 8 8.471 2.177 -8.890
60 HE ARG 8 HE ARG 8 8.677 4.359 -7.065
61 HH11 ARG 8 HH11 ARG 8 9.990 2.971 -10.039
62 HH12 ARG 8 HH12 ARG 8 10.653 4.447 -10.586
63 HH21 ARG 8 HH21 ARG 8 9.628 6.402 -7.845
64 HH22 ARG 8 HH22 ARG 8 10.450 6.382 -9.340
65 H HIS 9 H HIS 9 8.442 0.506 -2.593
66 HA HIS 9 HA HIS 9 8.389 2.872 -0.857
67 HB2 HIS 9 HB2 HIS 9 6.604 1.188 -0.213
68 HB3 HIS 9 HB3 HIS 9 7.886 0.015 0.041
69 HD1 HIS 9 HD3 HIS 9 9.480 0.481 2.137
70 HD2 HIS 9 HD2 HIS 9 6.139 2.921 1.831
71 HE1 HIS 9 HE1 HIS 9 9.208 1.580 4.393
72 H ALA 10 H ALA 10 10.419 3.256 -0.012
73 HA ALA 10 HA ALA 10 12.490 1.515 -0.954
74 HB1 ALA 10 HB1 ALA 10 12.795 4.015 0.704
75 HB2 ALA 10 HB2 ALA 10 12.764 3.961 -1.058
76 HB3 ALA 10 HB3 ALA 10 14.073 3.173 -0.174
77 H LYS 11 H LYS 11 11.800 -0.306 0.245
78 HA LYS 11 HA LYS 11 13.504 -0.920 2.391
79 HB2 LYS 11 HB2 LYS 11 11.689 0.341 3.633
80 HB3 LYS 11 HB3 LYS 11 10.522 -0.783 2.981
81 HG2 LYS 11 HG2 LYS 11 11.010 -1.350 5.268
82 HG3 LYS 11 HG3 LYS 11 11.612 -2.616 4.204
83 HD2 LYS 11 HD2 LYS 11 13.216 -2.106 5.990
84 HD3 LYS 11 HD3 LYS 11 13.872 -1.716 4.402
85 HE2 LYS 11 HE2 LYS 11 13.434 0.627 4.742
86 HE3 LYS 11 HE3 LYS 11 12.616 0.295 6.266
87 HZ1 LYS 11 HZ1 LYS 11 14.683 -0.495 7.169
88 HZ2 LYS 11 HZ2 LYS 11 14.884 1.072 6.583
89 HZ3 LYS 11 HZ3 LYS 11 15.482 -0.236 5.696
90 H LYS 12 H LYS 12 13.811 -3.116 2.133
91 HA LYS 12 HA LYS 12 12.801 -4.474 -0.074
92 HB2 LYS 12 HB2 LYS 12 14.860 -5.113 1.091
93 HB3 LYS 12 HB3 LYS 12 13.928 -5.617 2.486
94 HG2 LYS 12 HG2 LYS 12 12.808 -7.294 0.965
95 HG3 LYS 12 HG3 LYS 12 14.058 -6.900 -0.219
96 HD2 LYS 12 HD2 LYS 12 15.787 -7.518 1.393
97 HD3 LYS 12 HD3 LYS 12 14.547 -7.872 2.588
98 HE2 LYS 12 HE2 LYS 12 15.043 -9.298 -0.006
99 HE3 LYS 12 HE3 LYS 12 15.282 -9.940 1.618
100 HZ1 LYS 12 HZ1 LYS 12 12.758 -9.307 0.236
101 HZ2 LYS 12 HZ2 LYS 12 12.775 -9.600 1.889
102 HZ3 LYS 12 HZ3 LYS 12 13.248 -10.802 0.805
103 H ASN 13 H ASN 13 11.935 -4.885 3.329
104 HA ASN 13 HA ASN 13 9.280 -5.749 2.519
105 HB2 ASN 13 HB2 ASN 13 10.642 -7.792 2.914
106 HB3 ASN 13 HB3 ASN 13 10.983 -7.226 4.541
107 HD21 ASN 13 HD21 ASN 13 8.585 -8.565 2.435
108 HD22 ASN 13 HD22 ASN 13 7.446 -8.952 3.676
109 HA PRO 14 HA PRO 14 9.087 -2.653 5.841
110 HB2 PRO 14 HB2 PRO 14 6.699 -1.646 4.631
111 HB3 PRO 14 HB3 PRO 14 8.290 -0.887 4.669
112 HG2 PRO 14 HG2 PRO 14 7.033 -1.871 2.403
113 HG3 PRO 14 HG3 PRO 14 8.765 -1.558 2.539
114 HD2 PRO 14 HD2 PRO 14 7.268 -4.112 2.716
115 HD3 PRO 14 HD3 PRO 14 8.898 -3.788 2.075
116 H SER 15 H SER 15 7.547 -2.340 7.524
117 HA SER 15 HA SER 15 5.941 -4.549 8.194
118 HB2 SER 15 HB2 SER 15 5.748 -1.757 9.311
119 HB3 SER 15 HB3 SER 15 5.539 -3.298 10.153
120 HG SER 15 HG SER 15 7.663 -3.593 10.218
121 H GLU 16 H GLU 16 3.535 -4.415 8.469
122 HA GLU 16 HA GLU 16 2.167 -3.484 6.228
123 HB2 GLU 16 HB2 GLU 16 1.292 -5.226 7.761
124 HB3 GLU 16 HB3 GLU 16 1.044 -3.998 8.993
125 HG2 GLU 16 HG2 GLU 16 -0.543 -2.856 7.522
126 HG3 GLU 16 HG3 GLU 16 -0.320 -4.112 6.313
127 H GLY 17 H GLY 17 2.653 -2.003 9.387
128 HA2 GLY 17 HA2 GLY 17 1.036 0.256 9.088
129 HA3 GLY 17 HA3 GLY 17 2.465 0.161 10.107
130 H GLU 18 H GLU 18 4.300 -0.350 7.941
131 HA GLU 18 HA GLU 18 4.877 2.334 7.186
132 HB2 GLU 18 HB2 GLU 18 6.052 -0.293 6.296
133 HB3 GLU 18 HB3 GLU 18 6.684 1.278 5.819
134 HG2 GLU 18 HG2 GLU 18 6.459 0.274 8.633
135 HG3 GLU 18 HG3 GLU 18 7.931 0.269 7.664
136 H CYS 19 H CYS 19 3.937 -0.557 5.360
137 HA CYS 19 HA CYS 19 3.638 0.715 2.892
138 HB2 CYS 19 HB2 CYS 19 2.312 -1.739 4.017
139 HB3 CYS 19 HB3 CYS 19 2.107 -1.244 2.352
140 H LYS 20 H LYS 20 1.327 0.176 5.519
141 HA LYS 20 HA LYS 20 -0.957 1.071 4.178
142 HB2 LYS 20 HB2 LYS 20 -0.798 -0.272 6.295
143 HB3 LYS 20 HB3 LYS 20 -0.442 1.217 7.149
144 HG2 LYS 20 HG2 LYS 20 -2.639 2.101 6.550
145 HG3 LYS 20 HG3 LYS 20 -2.988 0.634 5.632
146 HD2 LYS 20 HD2 LYS 20 -2.545 0.842 8.624
147 HD3 LYS 20 HD3 LYS 20 -4.062 0.474 7.804
148 HE2 LYS 20 HE2 LYS 20 -2.998 -1.607 6.897
149 HE3 LYS 20 HE3 LYS 20 -1.564 -1.208 7.840
150 HZ1 LYS 20 HZ1 LYS 20 -2.844 -2.816 9.021
151 HZ2 LYS 20 HZ2 LYS 20 -4.239 -1.871 8.899
152 HZ3 LYS 20 HZ3 LYS 20 -2.981 -1.352 9.859
153 H LYS 21 H LYS 21 1.375 2.738 6.240
154 HA LYS 21 HA LYS 21 0.112 5.244 6.249
155 HB2 LYS 21 HB2 LYS 21 1.801 4.610 7.862
156 HB3 LYS 21 HB3 LYS 21 3.027 4.505 6.603
157 HG2 LYS 21 HG2 LYS 21 3.286 6.529 7.899
158 HG3 LYS 21 HG3 LYS 21 2.800 6.931 6.252
159 HD2 LYS 21 HD2 LYS 21 0.539 7.304 6.939
160 HD3 LYS 21 HD3 LYS 21 0.880 6.704 8.564
161 HE2 LYS 21 HE2 LYS 21 2.109 9.159 7.313
162 HE3 LYS 21 HE3 LYS 21 0.767 9.152 8.454
163 HZ1 LYS 21 HZ1 LYS 21 2.225 8.121 10.093
164 HZ2 LYS 21 HZ2 LYS 21 2.850 9.598 9.564
165 HZ3 LYS 21 HZ3 LYS 21 3.502 8.167 9.004
166 H ALA 22 H ALA 22 2.641 3.857 4.184
167 HA ALA 22 HA ALA 22 3.073 6.121 2.578
168 HB1 ALA 22 HB1 ALA 22 4.615 4.226 2.663
169 HB2 ALA 22 HB2 ALA 22 4.121 4.565 1.002
170 HB3 ALA 22 HB3 ALA 22 3.412 3.205 1.874
171 H CYS 23 H CYS 23 1.006 3.274 2.077
172 HA CYS 23 HA CYS 23 -0.159 4.018 -0.334
173 HB2 CYS 23 HB2 CYS 23 -1.316 2.404 1.942
174 HB3 CYS 23 HB3 CYS 23 -2.074 2.559 0.365
175 H ALA 24 H ALA 24 -1.110 4.806 2.972
176 HA ALA 24 HA ALA 24 -3.494 6.122 2.302
177 HB1 ALA 24 HB1 ALA 24 -3.319 7.114 4.520
178 HB2 ALA 24 HB2 ALA 24 -1.638 6.578 4.626
179 HB3 ALA 24 HB3 ALA 24 -2.943 5.391 4.540
180 H ASP 25 H ASP 25 -0.298 7.384 3.044
181 HA ASP 25 HA ASP 25 -0.832 10.098 2.742
182 HB2 ASP 25 HB2 ASP 25 1.117 9.181 3.903
183 HB3 ASP 25 HB3 ASP 25 1.775 8.634 2.368
184 H ALA 26 H ALA 26 0.340 7.784 0.355
185 HA ALA 26 HA ALA 26 0.583 9.863 -1.635
186 HB1 ALA 26 HB1 ALA 26 2.222 8.073 -1.508
187 HB2 ALA 26 HB2 ALA 26 1.414 8.115 -3.077
188 HB3 ALA 26 HB3 ALA 26 0.968 6.896 -1.885
189 H PHE 27 H PHE 27 -2.061 8.053 -0.542
190 HA PHE 27 HA PHE 27 -3.147 8.098 -3.257
191 HB2 PHE 27 HB2 PHE 27 -3.580 6.093 -1.094
192 HB3 PHE 27 HB3 PHE 27 -4.780 6.295 -2.369
193 HD1 PHE 27 HD1 PHE 27 -0.998 5.948 -2.098
194 HD2 PHE 27 HD2 PHE 27 -4.597 4.916 -4.137
195 HE1 PHE 27 HE1 PHE 27 0.239 4.605 -3.561
196 HE2 PHE 27 HE2 PHE 27 -3.283 3.500 -5.635
197 HZ PHE 27 HZ PHE 27 -0.854 3.345 -5.361
198 H ALA 28 H ALA 28 -4.223 8.131 0.110
199 HA ALA 28 HA ALA 28 -6.557 9.741 -0.647
200 HB1 ALA 28 HB1 ALA 28 -7.543 8.942 1.429
201 HB2 ALA 28 HB2 ALA 28 -6.048 8.092 1.825
202 HB3 ALA 28 HB3 ALA 28 -7.006 7.590 0.432
203 H ASN 29 H ASN 29 -3.735 10.524 -0.122
204 HA ASN 29 HA ASN 29 -2.615 12.341 0.641
205 HB2 ASN 29 HB2 ASN 29 -5.380 13.286 1.430
206 HB3 ASN 29 HB3 ASN 29 -3.937 14.275 1.583
207 HD21 ASN 29 HD21 ASN 29 -4.827 15.779 0.203
208 HD22 ASN 29 HD22 ASN 29 -4.930 15.550 -1.506
209 H GLY 30 H GLY 30 -3.299 10.022 2.441
210 HA2 GLY 30 HA2 GLY 30 -1.889 9.902 4.493
211 HA3 GLY 30 HA3 GLY 30 -2.643 11.421 4.961
212 H ASP 31 H ASP 31 -5.134 9.970 3.647
213 HA ASP 31 HA ASP 31 -6.069 9.083 6.204
214 HB2 ASP 31 HB2 ASP 31 -7.615 10.341 4.871
215 HB3 ASP 31 HB3 ASP 31 -7.470 9.190 3.542
216 H GLN 32 H GLN 32 -6.188 7.117 6.971
217 HA GLN 32 HA GLN 32 -5.354 4.899 5.269
218 HB2 GLN 32 HB2 GLN 32 -5.586 5.053 8.279
219 HB3 GLN 32 HB3 GLN 32 -4.975 3.677 7.376
220 HG2 GLN 32 HG2 GLN 32 -3.171 5.166 6.493
221 HG3 GLN 32 HG3 GLN 32 -3.744 6.410 7.595
222 HE21 GLN 32 HE21 GLN 32 -1.765 6.435 8.696
223 HE22 GLN 32 HE22 GLN 32 -1.306 5.165 9.770
224 H SER 33 H SER 33 -8.262 6.161 5.723
225 HA SER 33 HA SER 33 -9.587 3.676 6.432
226 HB2 SER 33 HB2 SER 33 -10.714 6.439 5.947
227 HB3 SER 33 HB3 SER 33 -11.624 5.044 6.542
228 HG SER 33 HG SER 33 -9.669 5.096 8.120
229 H LYS 34 H LYS 34 -9.012 5.823 3.756
230 HA LYS 34 HA LYS 34 -10.708 4.526 1.874
231 HB2 LYS 34 HB2 LYS 34 -9.781 6.808 1.591
232 HB3 LYS 34 HB3 LYS 34 -8.176 6.124 1.458
233 HG2 LYS 34 HG2 LYS 34 -9.040 6.768 -0.724
234 HG3 LYS 34 HG3 LYS 34 -8.810 5.024 -0.631
235 HD2 LYS 34 HD2 LYS 34 -11.158 4.671 -0.310
236 HD3 LYS 34 HD3 LYS 34 -11.456 6.402 -0.182
237 HE2 LYS 34 HE2 LYS 34 -10.408 4.979 -2.622
238 HE3 LYS 34 HE3 LYS 34 -12.080 5.477 -2.373
239 HZ1 LYS 34 HZ1 LYS 34 -9.735 7.309 -2.533
240 HZ2 LYS 34 HZ2 LYS 34 -11.314 7.788 -2.274
241 HZ3 LYS 34 HZ3 LYS 34 -10.886 7.070 -3.730
242 H ILE 35 H ILE 35 -7.633 3.859 3.188
243 HA ILE 35 HA ILE 35 -7.026 1.779 1.228
244 HB ILE 35 HB ILE 35 -5.381 2.843 3.554
245 HG12 ILE 35 HG12 ILE 35 -5.589 4.505 1.774
246 HG13 ILE 35 HG13 ILE 35 -3.947 3.879 1.834
247 HG21 ILE 35 HG21 ILE 35 -4.581 0.887 1.399
248 HG22 ILE 35 HG22 ILE 35 -4.825 0.518 3.104
249 HG23 ILE 35 HG23 ILE 35 -3.500 1.577 2.612
250 HD11 ILE 35 HD11 ILE 35 -6.077 3.112 -0.160
251 HD12 ILE 35 HD12 ILE 35 -4.449 2.441 -0.097
252 HD13 ILE 35 HD13 ILE 35 -4.682 4.152 -0.459
253 H ALA 36 H ALA 36 -7.612 -0.215 1.661
254 HA ALA 36 HA ALA 36 -8.926 -0.915 4.127
255 HB1 ALA 36 HB1 ALA 36 -9.280 -3.071 3.055
256 HB2 ALA 36 HB2 ALA 36 -8.182 -2.615 1.755
257 HB3 ALA 36 HB3 ALA 36 -9.705 -1.757 1.962
258 H LYS 37 H LYS 37 -6.095 -2.003 2.380
259 HA LYS 37 HA LYS 37 -4.840 -3.000 4.796
260 HB2 LYS 37 HB2 LYS 37 -6.424 -4.704 3.553
261 HB3 LYS 37 HB3 LYS 37 -5.158 -4.720 2.347
262 HG2 LYS 37 HG2 LYS 37 -4.923 -6.624 3.781
263 HG3 LYS 37 HG3 LYS 37 -3.585 -5.516 4.101
264 HD2 LYS 37 HD2 LYS 37 -4.450 -4.854 6.144
265 HD3 LYS 37 HD3 LYS 37 -6.091 -5.348 5.727
266 HE2 LYS 37 HE2 LYS 37 -5.103 -6.833 7.396
267 HE3 LYS 37 HE3 LYS 37 -5.434 -7.685 5.894
268 HZ1 LYS 37 HZ1 LYS 37 -2.772 -6.677 6.755
269 HZ2 LYS 37 HZ2 LYS 37 -3.076 -7.606 5.350
270 HZ3 LYS 37 HZ3 LYS 37 -3.322 -8.253 6.877
271 H ALA 38 H ALA 38 -2.529 -3.431 4.177
272 HA ALA 38 HA ALA 38 -1.671 -2.767 1.542
273 HB1 ALA 38 HB1 ALA 38 -1.878 -0.526 2.521
274 HB2 ALA 38 HB2 ALA 38 -0.184 -0.955 2.268
275 HB3 ALA 38 HB3 ALA 38 -0.884 -1.037 3.887
276 H GLU 39 H GLU 39 -0.158 -4.162 1.193
277 HA GLU 39 HA GLU 39 1.498 -5.075 3.444
278 HB2 GLU 39 HB2 GLU 39 -0.157 -6.878 1.688
279 HB3 GLU 39 HB3 GLU 39 1.211 -7.461 2.621
280 HG2 GLU 39 HG2 GLU 39 0.131 -6.769 4.680
281 HG3 GLU 39 HG3 GLU 39 -1.220 -6.109 3.765
282 H ASN 40 H ASN 40 3.256 -6.607 2.625
283 HA ASN 40 HA ASN 40 4.699 -5.196 0.643
284 HB2 ASN 40 HB2 ASN 40 5.854 -6.387 2.455
285 HB3 ASN 40 HB3 ASN 40 5.249 -7.923 1.844
286 HD21 ASN 40 HD21 ASN 40 7.445 -5.309 1.281
287 HD22 ASN 40 HD22 ASN 40 8.426 -6.101 0.106
288 H PHE 41 H PHE 41 4.578 -5.341 -1.440
289 HA PHE 41 HA PHE 41 2.940 -7.430 -2.643
290 HB2 PHE 41 HB2 PHE 41 2.523 -5.078 -3.293
291 HB3 PHE 41 HB3 PHE 41 4.179 -4.950 -3.843
292 HD1 PHE 41 HD1 PHE 41 4.775 -5.515 -6.021
293 HD2 PHE 41 HD2 PHE 41 0.986 -6.754 -4.514
294 HE1 PHE 41 HE1 PHE 41 4.134 -6.252 -8.252
295 HE2 PHE 41 HE2 PHE 41 0.337 -7.496 -6.753
296 HZ PHE 41 HZ PHE 41 1.904 -7.251 -8.637
297 H LYS 42 H LYS 42 6.195 -6.159 -2.659
298 HA LYS 42 HA LYS 42 7.358 -8.535 -3.657
299 HB2 LYS 42 HB2 LYS 42 6.447 -7.382 -5.754
300 HB3 LYS 42 HB3 LYS 42 7.467 -6.015 -5.370
301 HG2 LYS 42 HG2 LYS 42 9.442 -7.496 -5.586
302 HG3 LYS 42 HG3 LYS 42 8.353 -8.788 -6.097
303 HD2 LYS 42 HD2 LYS 42 7.574 -7.286 -7.949
304 HD3 LYS 42 HD3 LYS 42 8.815 -6.147 -7.458
305 HE2 LYS 42 HE2 LYS 42 9.569 -7.507 -9.337
306 HE3 LYS 42 HE3 LYS 42 10.559 -7.785 -7.907
307 HZ1 LYS 42 HZ1 LYS 42 8.347 -9.581 -8.801
308 HZ2 LYS 42 HZ2 LYS 42 9.401 -9.864 -7.525
309 HZ3 LYS 42 HZ3 LYS 42 9.979 -9.833 -9.094
310 H ASP 43 H ASP 43 9.807 -7.947 -3.786
311 HA ASP 43 HA ASP 43 10.613 -6.576 -1.485
312 HB2 ASP 43 HB2 ASP 43 12.227 -7.114 -4.001
313 HB3 ASP 43 HB3 ASP 43 12.893 -6.672 -2.436
314 H TYR 44 H TYR 44 10.528 -4.493 -1.093
315 HA TYR 44 HA TYR 44 10.693 -2.267 -1.255
316 HB2 TYR 44 HB2 TYR 44 11.879 -2.804 -3.991
317 HB3 TYR 44 HB3 TYR 44 11.677 -1.184 -3.342
318 HD1 TYR 44 HD1 TYR 44 13.153 -0.326 -1.704
319 HD2 TYR 44 HD2 TYR 44 13.472 -4.381 -2.907
320 HE1 TYR 44 HE1 TYR 44 15.303 -0.486 -0.539
321 HE2 TYR 44 HE2 TYR 44 15.629 -4.566 -1.751
322 HH TYR 44 HH TYR 44 17.391 -3.190 -0.935
323 H TYR 45 H TYR 45 8.374 -3.914 -2.287
324 HA TYR 45 HA TYR 45 6.867 -1.628 -3.368
325 HB2 TYR 45 HB2 TYR 45 6.782 -4.471 -4.389
326 HB3 TYR 45 HB3 TYR 45 5.549 -3.283 -4.742
327 HD1 TYR 45 HD1 TYR 45 8.928 -4.424 -5.542
328 HD2 TYR 45 HD2 TYR 45 6.043 -1.377 -6.142
329 HE1 TYR 45 HE1 TYR 45 10.179 -3.646 -7.499
330 HE2 TYR 45 HE2 TYR 45 7.287 -0.587 -8.117
331 HH TYR 45 HH TYR 45 9.614 -2.326 -9.652
332 H CYS 46 H CYS 46 4.851 -1.441 -2.710
333 HA CYS 46 HA CYS 46 3.859 -3.416 -0.775
334 HB2 CYS 46 HB2 CYS 46 3.566 -0.401 -0.607
335 HB3 CYS 46 HB3 CYS 46 2.712 -1.540 0.425
336 H ASN 47 H ASN 47 1.752 -3.942 -0.936
337 HA ASN 47 HA ASN 47 0.380 -3.145 -3.390
338 HB2 ASN 47 HB2 ASN 47 0.691 -5.595 -2.784
339 HB3 ASN 47 HB3 ASN 47 -0.309 -5.295 -1.376
340 HD21 ASN 47 HD21 ASN 47 -1.856 -6.712 -2.007
341 HD22 ASN 47 HD22 ASN 47 -2.957 -6.431 -3.291
342 H CYS 48 H CYS 48 -0.965 -1.493 -3.126
343 HA CYS 48 HA CYS 48 -2.122 -0.966 -0.512
344 HB2 CYS 48 HB2 CYS 48 -2.308 0.733 -3.039
345 HB3 CYS 48 HB3 CYS 48 -2.745 1.141 -1.384
346 H HIS 49 H HIS 49 -4.154 -1.495 -0.076
347 HA HIS 49 HA HIS 49 -5.813 -2.475 -2.273
348 HB2 HIS 49 HB2 HIS 49 -6.087 -2.903 0.720
349 HB3 HIS 49 HB3 HIS 49 -7.104 -3.622 -0.518
350 HD1 HIS 49 HD3 HIS 49 -6.475 -5.979 -1.053
351 HD2 HIS 49 HD2 HIS 49 -3.247 -3.764 0.328
352 HE1 HIS 49 HE1 HIS 49 -4.575 -7.631 -0.701
353 H ILE 50 H ILE 50 -6.872 -0.808 -2.960
354 HA ILE 50 HA ILE 50 -7.668 1.325 -1.127
355 HB ILE 50 HB ILE 50 -8.133 1.360 -4.096
356 HG12 ILE 50 HG12 ILE 50 -5.510 2.161 -2.819
357 HG13 ILE 50 HG13 ILE 50 -5.744 0.597 -3.592
358 HG21 ILE 50 HG21 ILE 50 -7.730 3.761 -3.728
359 HG22 ILE 50 HG22 ILE 50 -7.332 3.396 -2.044
360 HG23 ILE 50 HG23 ILE 50 -8.981 3.149 -2.625
361 HD11 ILE 50 HD11 ILE 50 -6.265 1.732 -5.692
362 HD12 ILE 50 HD12 ILE 50 -4.664 2.125 -5.080
363 HD13 ILE 50 HD13 ILE 50 -5.982 3.287 -4.904
364 H ILE 51 H ILE 51 -9.769 1.465 -0.512
365 HA ILE 51 HA ILE 51 -11.587 -0.489 -1.610
366 HB ILE 51 HB ILE 51 -12.114 1.602 0.522
367 HG12 ILE 51 HG12 ILE 51 -11.457 -1.325 0.850
368 HG13 ILE 51 HG13 ILE 51 -10.357 0.015 1.180
369 HG21 ILE 51 HG21 ILE 51 -13.675 -0.874 -0.230
370 HG22 ILE 51 HG22 ILE 51 -14.138 0.789 -0.574
371 HG23 ILE 51 HG23 ILE 51 -14.058 0.227 1.097
372 HD11 ILE 51 HD11 ILE 51 -11.335 -0.861 3.236
373 HD12 ILE 51 HD12 ILE 51 -12.951 -0.531 2.613
374 HD13 ILE 51 HD13 ILE 51 -11.848 0.804 2.947
375 H ILE 52 H ILE 52 -12.681 0.129 -3.428
376 HA ILE 52 HA ILE 52 -13.294 2.928 -3.908
377 HB ILE 52 HB ILE 52 -14.383 0.474 -5.359
378 HG12 ILE 52 HG12 ILE 52 -12.064 2.257 -6.139
379 HG13 ILE 52 HG13 ILE 52 -11.922 0.606 -5.546
380 HG21 ILE 52 HG21 ILE 52 -15.745 2.482 -5.651
381 HG22 ILE 52 HG22 ILE 52 -14.929 2.062 -7.159
382 HG23 ILE 52 HG23 ILE 52 -14.323 3.388 -6.168
383 HD11 ILE 52 HD11 ILE 52 -11.677 0.705 -7.961
384 HD12 ILE 52 HD12 ILE 52 -13.266 1.458 -8.104
385 HD13 ILE 52 HD13 ILE 52 -13.126 -0.197 -7.516
386 H HIS 53 H HIS 53 -15.082 -0.061 -3.585
387 HA HIS 53 HA HIS 53 -16.527 0.290 -1.370
388 HB2 HIS 53 HB2 HIS 53 -17.594 2.287 -2.641
389 HB3 HIS 53 HB3 HIS 53 -18.294 1.091 -3.722
390 HD1 HIS 53 HD3 HIS 53 -20.664 0.692 -3.105
391 HD2 HIS 53 HD2 HIS 53 -18.287 1.428 0.209
392 HE1 HIS 53 HE1 HIS 53 -22.196 0.582 -1.092
Start of MODEL 20
1 H1 GLU 1 1HT GLU 1 -14.503 -7.618 -2.649
2 H2 GLU 1 2HT GLU 1 -14.641 -6.048 -3.272
3 H3 GLU 1 3HT GLU 1 -14.077 -6.273 -1.717
4 HA GLU 1 HA GLU 1 -12.111 -7.310 -2.487
5 HB2 GLU 1 HB2 GLU 1 -11.656 -7.346 -4.935
6 HB3 GLU 1 HB3 GLU 1 -12.990 -8.392 -4.479
7 HG2 GLU 1 HG2 GLU 1 -14.545 -6.563 -5.167
8 HG3 GLU 1 HG3 GLU 1 -13.145 -5.700 -5.794
9 H GLU 2 H GLU 2 -10.295 -5.967 -3.607
10 HA GLU 2 HA GLU 2 -11.012 -3.125 -3.406
11 HB2 GLU 2 HB2 GLU 2 -8.427 -4.269 -2.343
12 HB3 GLU 2 HB3 GLU 2 -9.010 -2.627 -2.184
13 HG2 GLU 2 HG2 GLU 2 -9.285 -3.558 -0.058
14 HG3 GLU 2 HG3 GLU 2 -10.891 -3.640 -0.774
15 H THR 3 H THR 3 -9.356 -1.747 -4.431
16 HA THR 3 HA THR 3 -8.398 -2.935 -6.875
17 HB THR 3 HB THR 3 -8.119 -0.122 -5.795
18 HG1 THR 3 HG1 THR 3 -10.008 0.329 -6.893
19 HG21 THR 3 HG21 THR 3 -6.540 -0.652 -7.605
20 HG22 THR 3 HG22 THR 3 -7.754 0.499 -8.158
21 HG23 THR 3 HG23 THR 3 -7.875 -1.199 -8.617
22 H GLU 4 H GLU 4 -6.447 -3.829 -6.913
23 HA GLU 4 HA GLU 4 -4.611 -3.387 -4.722
24 HB2 GLU 4 HB2 GLU 4 -4.391 -5.213 -7.099
25 HB3 GLU 4 HB3 GLU 4 -3.276 -5.145 -5.744
26 HG2 GLU 4 HG2 GLU 4 -5.097 -5.837 -4.251
27 HG3 GLU 4 HG3 GLU 4 -6.152 -5.995 -5.660
28 H GLU 5 H GLU 5 -3.323 -1.799 -4.814
29 HA GLU 5 HA GLU 5 -2.223 -0.889 -7.380
30 HB2 GLU 5 HB2 GLU 5 -2.947 0.521 -4.856
31 HB3 GLU 5 HB3 GLU 5 -1.835 1.246 -5.998
32 HG2 GLU 5 HG2 GLU 5 -4.635 0.344 -6.655
33 HG3 GLU 5 HG3 GLU 5 -4.201 1.995 -6.210
34 HA PRO 6 HA PRO 6 1.574 -2.186 -5.251
35 HB2 PRO 6 HB2 PRO 6 2.833 -2.165 -7.836
36 HB3 PRO 6 HB3 PRO 6 2.494 -3.551 -6.799
37 HG2 PRO 6 HG2 PRO 6 1.240 -3.105 -9.203
38 HG3 PRO 6 HG3 PRO 6 0.532 -4.041 -7.877
39 HD2 PRO 6 HD2 PRO 6 0.014 -1.211 -8.694
40 HD3 PRO 6 HD3 PRO 6 -1.118 -2.448 -8.099
41 H ILE 7 H ILE 7 2.337 -0.445 -4.326
42 HA ILE 7 HA ILE 7 3.171 1.864 -5.962
43 HB ILE 7 HB ILE 7 3.037 3.260 -3.963
44 HG12 ILE 7 HG12 ILE 7 2.246 0.833 -2.372
45 HG13 ILE 7 HG13 ILE 7 3.935 1.320 -2.486
46 HG21 ILE 7 HG21 ILE 7 0.683 1.489 -4.194
47 HG22 ILE 7 HG22 ILE 7 1.016 2.994 -5.075
48 HG23 ILE 7 HG23 ILE 7 0.809 3.005 -3.310
49 HD11 ILE 7 HD11 ILE 7 1.674 2.977 -1.438
50 HD12 ILE 7 HD12 ILE 7 3.365 3.477 -1.594
51 HD13 ILE 7 HD13 ILE 7 2.932 2.166 -0.482
52 H ARG 8 H ARG 8 5.093 2.962 -5.259
53 HA ARG 8 HA ARG 8 7.282 1.128 -4.734
54 HB2 ARG 8 HB2 ARG 8 7.222 4.112 -5.180
55 HB3 ARG 8 HB3 ARG 8 8.659 3.105 -5.139
56 HG2 ARG 8 HG2 ARG 8 8.058 2.036 -7.172
57 HG3 ARG 8 HG3 ARG 8 6.461 2.783 -7.166
58 HD2 ARG 8 HD2 ARG 8 9.085 4.252 -7.350
59 HD3 ARG 8 HD3 ARG 8 7.987 3.940 -8.695
60 HE ARG 8 HE ARG 8 6.315 5.192 -7.280
61 HH11 ARG 8 HH11 ARG 8 9.789 5.972 -7.285
62 HH12 ARG 8 HH12 ARG 8 9.558 7.612 -6.911
63 HH21 ARG 8 HH21 ARG 8 6.040 7.461 -6.716
64 HH22 ARG 8 HH22 ARG 8 7.412 8.464 -6.566
65 H HIS 9 H HIS 9 8.401 1.102 -2.780
66 HA HIS 9 HA HIS 9 7.916 3.229 -0.871
67 HB2 HIS 9 HB2 HIS 9 6.279 1.381 -0.383
68 HB3 HIS 9 HB3 HIS 9 7.645 0.292 -0.170
69 HD1 HIS 9 HD3 HIS 9 8.903 0.443 2.060
70 HD2 HIS 9 HD2 HIS 9 5.922 3.258 1.631
71 HE1 HIS 9 HE1 HIS 9 8.578 1.468 4.350
72 H ALA 10 H ALA 10 9.777 3.693 0.233
73 HA ALA 10 HA ALA 10 12.092 2.224 -0.642
74 HB1 ALA 10 HB1 ALA 10 12.149 4.668 -0.717
75 HB2 ALA 10 HB2 ALA 10 13.415 4.010 0.320
76 HB3 ALA 10 HB3 ALA 10 11.970 4.724 1.037
77 H LYS 11 H LYS 11 11.495 0.345 0.443
78 HA LYS 11 HA LYS 11 13.074 -0.241 2.671
79 HB2 LYS 11 HB2 LYS 11 11.073 0.827 3.858
80 HB3 LYS 11 HB3 LYS 11 10.064 -0.380 3.098
81 HG2 LYS 11 HG2 LYS 11 10.443 -1.073 5.334
82 HG3 LYS 11 HG3 LYS 11 11.371 -2.138 4.284
83 HD2 LYS 11 HD2 LYS 11 12.687 -1.517 6.235
84 HD3 LYS 11 HD3 LYS 11 13.406 -0.818 4.785
85 HE2 LYS 11 HE2 LYS 11 12.437 1.344 5.307
86 HE3 LYS 11 HE3 LYS 11 11.554 0.637 6.662
87 HZ1 LYS 11 HZ1 LYS 11 14.506 0.818 6.462
88 HZ2 LYS 11 HZ2 LYS 11 13.601 0.237 7.781
89 HZ3 LYS 11 HZ3 LYS 11 13.503 1.842 7.344
90 H LYS 12 H LYS 12 13.365 -2.512 2.502
91 HA LYS 12 HA LYS 12 12.466 -3.551 0.027
92 HB2 LYS 12 HB2 LYS 12 14.660 -4.122 1.039
93 HB3 LYS 12 HB3 LYS 12 13.821 -5.042 2.281
94 HG2 LYS 12 HG2 LYS 12 12.891 -6.511 0.565
95 HG3 LYS 12 HG3 LYS 12 13.751 -5.595 -0.668
96 HD2 LYS 12 HD2 LYS 12 14.997 -7.189 1.574
97 HD3 LYS 12 HD3 LYS 12 14.937 -7.638 -0.125
98 HE2 LYS 12 HE2 LYS 12 16.228 -5.564 -0.642
99 HE3 LYS 12 HE3 LYS 12 16.417 -5.323 1.092
100 HZ1 LYS 12 HZ1 LYS 12 17.349 -7.656 -0.452
101 HZ2 LYS 12 HZ2 LYS 12 17.501 -7.483 1.217
102 HZ3 LYS 12 HZ3 LYS 12 18.327 -6.433 0.178
103 H ASN 13 H ASN 13 11.732 -4.345 3.369
104 HA ASN 13 HA ASN 13 9.194 -5.460 2.443
105 HB2 ASN 13 HB2 ASN 13 10.944 -6.775 4.549
106 HB3 ASN 13 HB3 ASN 13 9.307 -7.260 4.146
107 HD21 ASN 13 HD21 ASN 13 8.929 -8.362 2.209
108 HD22 ASN 13 HD22 ASN 13 10.204 -9.060 1.299
109 HA PRO 14 HA PRO 14 8.299 -2.593 5.823
110 HB2 PRO 14 HB2 PRO 14 6.078 -1.593 4.293
111 HB3 PRO 14 HB3 PRO 14 7.618 -0.799 4.592
112 HG2 PRO 14 HG2 PRO 14 6.739 -1.722 2.127
113 HG3 PRO 14 HG3 PRO 14 8.410 -1.325 2.532
114 HD2 PRO 14 HD2 PRO 14 7.042 -3.955 2.433
115 HD3 PRO 14 HD3 PRO 14 8.711 -3.525 1.966
116 H SER 15 H SER 15 6.449 -2.673 7.270
117 HA SER 15 HA SER 15 5.117 -5.183 7.195
118 HB2 SER 15 HB2 SER 15 4.126 -4.377 9.307
119 HB3 SER 15 HB3 SER 15 5.882 -4.195 9.291
120 HG SER 15 HG SER 15 4.357 -2.355 9.949
121 H GLU 16 H GLU 16 2.675 -5.133 7.687
122 HA GLU 16 HA GLU 16 1.277 -4.042 5.534
123 HB2 GLU 16 HB2 GLU 16 0.303 -5.077 8.201
124 HB3 GLU 16 HB3 GLU 16 -0.747 -4.733 6.829
125 HG2 GLU 16 HG2 GLU 16 0.234 -6.441 5.523
126 HG3 GLU 16 HG3 GLU 16 1.557 -6.650 6.661
127 H GLY 17 H GLY 17 1.865 -2.873 8.781
128 HA2 GLY 17 HA2 GLY 17 0.132 -0.634 8.692
129 HA3 GLY 17 HA3 GLY 17 1.493 -0.851 9.786
130 H GLU 18 H GLU 18 3.645 -0.985 8.104
131 HA GLU 18 HA GLU 18 4.194 1.677 7.440
132 HB2 GLU 18 HB2 GLU 18 5.494 -0.902 6.603
133 HB3 GLU 18 HB3 GLU 18 6.081 0.645 6.016
134 HG2 GLU 18 HG2 GLU 18 5.831 -0.049 8.924
135 HG3 GLU 18 HG3 GLU 18 7.294 -0.291 7.971
136 H CYS 19 H CYS 19 3.350 -1.036 5.329
137 HA CYS 19 HA CYS 19 3.317 0.457 2.988
138 HB2 CYS 19 HB2 CYS 19 1.925 -2.101 3.733
139 HB3 CYS 19 HB3 CYS 19 1.818 -1.404 2.125
140 H LYS 20 H LYS 20 0.637 -0.294 5.246
141 HA LYS 20 HA LYS 20 -1.371 0.889 3.697
142 HB2 LYS 20 HB2 LYS 20 -1.758 -0.639 5.606
143 HB3 LYS 20 HB3 LYS 20 -1.250 0.627 6.704
144 HG2 LYS 20 HG2 LYS 20 -3.184 1.948 6.167
145 HG3 LYS 20 HG3 LYS 20 -3.644 0.825 4.880
146 HD2 LYS 20 HD2 LYS 20 -3.845 -0.972 6.583
147 HD3 LYS 20 HD3 LYS 20 -3.486 0.211 7.824
148 HE2 LYS 20 HE2 LYS 20 -5.822 0.458 5.940
149 HE3 LYS 20 HE3 LYS 20 -5.910 -0.348 7.503
150 HZ1 LYS 20 HZ1 LYS 20 -5.190 1.781 8.512
151 HZ2 LYS 20 HZ2 LYS 20 -6.675 1.864 7.747
152 HZ3 LYS 20 HZ3 LYS 20 -5.348 2.540 7.001
153 H LYS 21 H LYS 21 0.760 2.247 6.128
154 HA LYS 21 HA LYS 21 -0.392 4.830 6.160
155 HB2 LYS 21 HB2 LYS 21 0.989 4.089 8.004
156 HB3 LYS 21 HB3 LYS 21 2.350 3.836 6.928
157 HG2 LYS 21 HG2 LYS 21 2.632 6.191 6.630
158 HG3 LYS 21 HG3 LYS 21 1.134 6.531 7.489
159 HD2 LYS 21 HD2 LYS 21 3.181 6.915 8.867
160 HD3 LYS 21 HD3 LYS 21 2.063 5.749 9.566
161 HE2 LYS 21 HE2 LYS 21 4.348 4.974 9.809
162 HE3 LYS 21 HE3 LYS 21 3.473 3.914 8.718
163 HZ1 LYS 21 HZ1 LYS 21 5.606 4.301 7.854
164 HZ2 LYS 21 HZ2 LYS 21 5.502 5.962 8.011
165 HZ3 LYS 21 HZ3 LYS 21 4.597 5.182 6.838
166 H ALA 22 H ALA 22 2.175 3.367 4.235
167 HA ALA 22 HA ALA 22 2.944 5.759 2.912
168 HB1 ALA 22 HB1 ALA 22 3.221 2.901 2.008
169 HB2 ALA 22 HB2 ALA 22 4.381 3.792 2.996
170 HB3 ALA 22 HB3 ALA 22 4.065 4.292 1.330
171 H CYS 23 H CYS 23 0.790 3.091 2.057
172 HA CYS 23 HA CYS 23 -0.075 4.041 -0.425
173 HB2 CYS 23 HB2 CYS 23 -1.632 2.440 1.605
174 HB3 CYS 23 HB3 CYS 23 -2.030 2.601 -0.102
175 H ALA 24 H ALA 24 -1.107 4.771 2.834
176 HA ALA 24 HA ALA 24 -3.371 6.292 2.249
177 HB1 ALA 24 HB1 ALA 24 -2.728 5.509 4.486
178 HB2 ALA 24 HB2 ALA 24 -3.044 7.249 4.445
179 HB3 ALA 24 HB3 ALA 24 -1.384 6.648 4.481
180 H ASP 25 H ASP 25 -0.059 7.279 2.930
181 HA ASP 25 HA ASP 25 -0.385 10.009 2.446
182 HB2 ASP 25 HB2 ASP 25 1.480 9.043 3.720
183 HB3 ASP 25 HB3 ASP 25 2.116 8.332 2.247
184 H ALA 26 H ALA 26 0.425 7.397 0.248
185 HA ALA 26 HA ALA 26 0.985 9.224 -1.921
186 HB1 ALA 26 HB1 ALA 26 2.307 7.176 -1.650
187 HB2 ALA 26 HB2 ALA 26 1.510 7.252 -3.221
188 HB3 ALA 26 HB3 ALA 26 0.859 6.215 -1.951
189 H PHE 27 H PHE 27 -1.874 7.998 -0.651
190 HA PHE 27 HA PHE 27 -3.112 8.309 -3.294
191 HB2 PHE 27 HB2 PHE 27 -3.687 6.207 -1.266
192 HB3 PHE 27 HB3 PHE 27 -4.971 6.739 -2.353
193 HD1 PHE 27 HD1 PHE 27 -4.851 6.353 -4.699
194 HD2 PHE 27 HD2 PHE 27 -1.730 4.995 -2.136
195 HE1 PHE 27 HE1 PHE 27 -3.998 4.962 -6.484
196 HE2 PHE 27 HE2 PHE 27 -0.877 3.584 -3.939
197 HZ PHE 27 HZ PHE 27 -2.008 3.554 -6.121
198 H ALA 28 H ALA 28 -3.832 8.500 0.162
199 HA ALA 28 HA ALA 28 -5.909 10.454 -0.498
200 HB1 ALA 28 HB1 ALA 28 -6.609 8.554 0.898
201 HB2 ALA 28 HB2 ALA 28 -6.752 10.090 1.743
202 HB3 ALA 28 HB3 ALA 28 -5.404 9.011 2.103
203 H ASN 29 H ASN 29 -2.767 10.317 0.204
204 HA ASN 29 HA ASN 29 -1.177 11.810 0.740
205 HB2 ASN 29 HB2 ASN 29 -3.458 13.796 0.622
206 HB3 ASN 29 HB3 ASN 29 -1.762 14.248 0.767
207 HD21 ASN 29 HD21 ASN 29 -0.437 14.067 -1.035
208 HD22 ASN 29 HD22 ASN 29 -1.060 13.760 -2.614
209 H GLY 30 H GLY 30 -2.980 10.534 2.836
210 HA2 GLY 30 HA2 GLY 30 -1.596 11.133 5.085
211 HA3 GLY 30 HA3 GLY 30 -2.852 12.363 5.043
212 H ASP 31 H ASP 31 -4.991 11.022 4.109
213 HA ASP 31 HA ASP 31 -5.873 9.700 6.458
214 HB2 ASP 31 HB2 ASP 31 -7.473 10.916 5.053
215 HB3 ASP 31 HB3 ASP 31 -7.214 9.768 3.745
216 H GLN 32 H GLN 32 -5.801 7.687 7.055
217 HA GLN 32 HA GLN 32 -4.543 5.764 5.262
218 HB2 GLN 32 HB2 GLN 32 -5.039 5.594 8.230
219 HB3 GLN 32 HB3 GLN 32 -4.033 4.518 7.273
220 HG2 GLN 32 HG2 GLN 32 -2.503 6.362 6.804
221 HG3 GLN 32 HG3 GLN 32 -3.523 7.451 7.738
222 HE21 GLN 32 HE21 GLN 32 -0.775 6.778 8.124
223 HE22 GLN 32 HE22 GLN 32 -0.628 6.112 9.713
224 H SER 33 H SER 33 -7.647 6.566 5.919
225 HA SER 33 HA SER 33 -8.583 3.884 6.501
226 HB2 SER 33 HB2 SER 33 -10.053 6.513 6.381
227 HB3 SER 33 HB3 SER 33 -10.712 4.979 6.968
228 HG SER 33 HG SER 33 -8.413 5.388 8.162
229 H LYS 34 H LYS 34 -8.375 6.147 3.904
230 HA LYS 34 HA LYS 34 -10.274 5.093 2.097
231 HB2 LYS 34 HB2 LYS 34 -9.016 7.221 1.766
232 HB3 LYS 34 HB3 LYS 34 -7.549 6.297 1.508
233 HG2 LYS 34 HG2 LYS 34 -8.598 5.287 -0.512
234 HG3 LYS 34 HG3 LYS 34 -9.988 6.348 -0.267
235 HD2 LYS 34 HD2 LYS 34 -8.525 8.311 -0.473
236 HD3 LYS 34 HD3 LYS 34 -7.138 7.249 -0.705
237 HE2 LYS 34 HE2 LYS 34 -7.871 8.086 -2.845
238 HE3 LYS 34 HE3 LYS 34 -8.198 6.360 -2.750
239 HZ1 LYS 34 HZ1 LYS 34 -10.037 7.565 -3.713
240 HZ2 LYS 34 HZ2 LYS 34 -10.192 8.534 -2.372
241 HZ3 LYS 34 HZ3 LYS 34 -10.527 6.878 -2.265
242 H ILE 35 H ILE 35 -7.401 3.851 3.322
243 HA ILE 35 HA ILE 35 -7.035 1.853 1.216
244 HB ILE 35 HB ILE 35 -5.286 2.407 3.632
245 HG12 ILE 35 HG12 ILE 35 -5.347 4.447 2.295
246 HG13 ILE 35 HG13 ILE 35 -3.779 3.670 2.132
247 HG21 ILE 35 HG21 ILE 35 -4.959 0.213 2.644
248 HG22 ILE 35 HG22 ILE 35 -3.551 1.235 2.356
249 HG23 ILE 35 HG23 ILE 35 -4.710 0.946 1.058
250 HD11 ILE 35 HD11 ILE 35 -6.022 3.588 0.125
251 HD12 ILE 35 HD12 ILE 35 -4.459 2.790 -0.049
252 HD13 ILE 35 HD13 ILE 35 -4.549 4.551 0.009
253 H ALA 36 H ALA 36 -7.766 -0.177 1.633
254 HA ALA 36 HA ALA 36 -9.157 -0.803 4.034
255 HB1 ALA 36 HB1 ALA 36 -9.320 -3.075 3.082
256 HB2 ALA 36 HB2 ALA 36 -8.159 -2.628 1.834
257 HB3 ALA 36 HB3 ALA 36 -9.740 -1.851 1.884
258 H LYS 37 H LYS 37 -6.130 -1.888 2.600
259 HA LYS 37 HA LYS 37 -4.634 -1.767 4.937
260 HB2 LYS 37 HB2 LYS 37 -6.020 -3.946 5.309
261 HB3 LYS 37 HB3 LYS 37 -5.134 -4.590 3.933
262 HG2 LYS 37 HG2 LYS 37 -3.016 -4.235 5.159
263 HG3 LYS 37 HG3 LYS 37 -3.938 -3.659 6.547
264 HD2 LYS 37 HD2 LYS 37 -3.280 -5.951 6.875
265 HD3 LYS 37 HD3 LYS 37 -5.030 -5.880 6.657
266 HE2 LYS 37 HE2 LYS 37 -4.855 -6.674 4.413
267 HE3 LYS 37 HE3 LYS 37 -3.100 -6.491 4.423
268 HZ1 LYS 37 HZ1 LYS 37 -2.999 -8.205 6.124
269 HZ2 LYS 37 HZ2 LYS 37 -3.694 -8.769 4.682
270 HZ3 LYS 37 HZ3 LYS 37 -4.685 -8.438 6.008
271 H ALA 38 H ALA 38 -2.395 -2.810 4.276
272 HA ALA 38 HA ALA 38 -2.157 -3.171 1.430
273 HB1 ALA 38 HB1 ALA 38 -0.533 -1.175 2.993
274 HB2 ALA 38 HB2 ALA 38 -1.760 -0.787 1.789
275 HB3 ALA 38 HB3 ALA 38 -0.283 -1.621 1.305
276 H GLU 39 H GLU 39 -0.549 -4.566 0.966
277 HA GLU 39 HA GLU 39 0.938 -5.660 3.275
278 HB2 GLU 39 HB2 GLU 39 -0.057 -7.236 0.887
279 HB3 GLU 39 HB3 GLU 39 0.697 -7.878 2.339
280 HG2 GLU 39 HG2 GLU 39 -1.243 -7.106 3.643
281 HG3 GLU 39 HG3 GLU 39 -2.010 -6.573 2.149
282 H ASN 40 H ASN 40 2.949 -6.897 2.435
283 HA ASN 40 HA ASN 40 4.349 -5.203 0.643
284 HB2 ASN 40 HB2 ASN 40 5.628 -6.366 2.357
285 HB3 ASN 40 HB3 ASN 40 5.089 -7.927 1.744
286 HD21 ASN 40 HD21 ASN 40 7.096 -5.156 1.067
287 HD22 ASN 40 HD22 ASN 40 8.089 -5.930 -0.111
288 H PHE 41 H PHE 41 4.484 -5.261 -1.446
289 HA PHE 41 HA PHE 41 2.995 -7.313 -2.878
290 HB2 PHE 41 HB2 PHE 41 2.604 -4.939 -3.451
291 HB3 PHE 41 HB3 PHE 41 4.305 -4.756 -3.821
292 HD1 PHE 41 HD1 PHE 41 1.249 -6.587 -4.881
293 HD2 PHE 41 HD2 PHE 41 5.115 -5.166 -5.974
294 HE1 PHE 41 HE1 PHE 41 0.823 -7.197 -7.210
295 HE2 PHE 41 HE2 PHE 41 4.684 -5.784 -8.300
296 HZ PHE 41 HZ PHE 41 2.525 -6.805 -8.920
297 H LYS 42 H LYS 42 6.193 -5.837 -2.747
298 HA LYS 42 HA LYS 42 7.490 -8.201 -3.677
299 HB2 LYS 42 HB2 LYS 42 6.538 -7.073 -5.756
300 HB3 LYS 42 HB3 LYS 42 7.500 -5.671 -5.368
301 HG2 LYS 42 HG2 LYS 42 9.543 -7.007 -5.682
302 HG3 LYS 42 HG3 LYS 42 8.528 -8.397 -6.095
303 HD2 LYS 42 HD2 LYS 42 7.522 -7.065 -7.919
304 HD3 LYS 42 HD3 LYS 42 8.661 -5.774 -7.561
305 HE2 LYS 42 HE2 LYS 42 10.529 -7.239 -8.093
306 HE3 LYS 42 HE3 LYS 42 9.419 -8.577 -8.377
307 HZ1 LYS 42 HZ1 LYS 42 8.467 -7.334 -10.243
308 HZ2 LYS 42 HZ2 LYS 42 10.123 -7.534 -10.440
309 HZ3 LYS 42 HZ3 LYS 42 9.531 -6.058 -9.956
310 H ASP 43 H ASP 43 9.892 -7.563 -3.730
311 HA ASP 43 HA ASP 43 10.707 -6.163 -1.472
312 HB2 ASP 43 HB2 ASP 43 12.179 -6.745 -4.058
313 HB3 ASP 43 HB3 ASP 43 12.953 -6.089 -2.628
314 H TYR 44 H TYR 44 10.441 -4.094 -1.069
315 HA TYR 44 HA TYR 44 10.508 -1.849 -1.174
316 HB2 TYR 44 HB2 TYR 44 11.720 -2.244 -3.922
317 HB3 TYR 44 HB3 TYR 44 11.418 -0.659 -3.228
318 HD1 TYR 44 HD1 TYR 44 12.772 0.179 -1.426
319 HD2 TYR 44 HD2 TYR 44 13.502 -3.677 -3.050
320 HE1 TYR 44 HE1 TYR 44 14.954 0.136 -0.309
321 HE2 TYR 44 HE2 TYR 44 15.691 -3.740 -1.937
322 HH TYR 44 HH TYR 44 16.582 -1.475 0.463
323 H TYR 45 H TYR 45 8.256 -3.582 -2.269
324 HA TYR 45 HA TYR 45 6.709 -1.319 -3.311
325 HB2 TYR 45 HB2 TYR 45 6.704 -4.095 -4.487
326 HB3 TYR 45 HB3 TYR 45 5.550 -2.835 -4.887
327 HD1 TYR 45 HD1 TYR 45 8.866 -4.143 -5.491
328 HD2 TYR 45 HD2 TYR 45 6.319 -0.807 -6.028
329 HE1 TYR 45 HE1 TYR 45 10.371 -3.315 -7.219
330 HE2 TYR 45 HE2 TYR 45 7.825 0.053 -7.796
331 HH TYR 45 HH TYR 45 10.297 -0.219 -8.349
332 H CYS 46 H CYS 46 4.648 -1.292 -2.803
333 HA CYS 46 HA CYS 46 3.729 -3.352 -0.906
334 HB2 CYS 46 HB2 CYS 46 3.277 -0.370 -0.723
335 HB3 CYS 46 HB3 CYS 46 2.430 -1.559 0.257
336 H ASN 47 H ASN 47 1.685 -4.059 -1.108
337 HA ASN 47 HA ASN 47 0.256 -3.264 -3.551
338 HB2 ASN 47 HB2 ASN 47 0.785 -5.732 -3.049
339 HB3 ASN 47 HB3 ASN 47 -0.310 -5.579 -1.683
340 HD21 ASN 47 HD21 ASN 47 -1.820 -6.991 -2.405
341 HD22 ASN 47 HD22 ASN 47 -2.812 -6.740 -3.778
342 H CYS 48 H CYS 48 -0.948 -1.608 -3.062
343 HA CYS 48 HA CYS 48 -2.138 -1.325 -0.456
344 HB2 CYS 48 HB2 CYS 48 -2.460 0.421 -2.888
345 HB3 CYS 48 HB3 CYS 48 -2.753 0.802 -1.186
346 H HIS 49 H HIS 49 -4.248 -1.673 -0.038
347 HA HIS 49 HA HIS 49 -5.861 -2.667 -2.243
348 HB2 HIS 49 HB2 HIS 49 -6.067 -3.126 0.755
349 HB3 HIS 49 HB3 HIS 49 -7.271 -3.665 -0.406
350 HD1 HIS 49 HD3 HIS 49 -7.024 -6.087 -0.890
351 HD2 HIS 49 HD2 HIS 49 -3.376 -4.256 -0.094
352 HE1 HIS 49 HE1 HIS 49 -5.267 -7.901 -1.085
353 H ILE 50 H ILE 50 -6.658 -0.870 -3.010
354 HA ILE 50 HA ILE 50 -7.498 1.244 -1.224
355 HB ILE 50 HB ILE 50 -8.109 1.264 -4.164
356 HG12 ILE 50 HG12 ILE 50 -5.722 0.532 -4.031
357 HG13 ILE 50 HG13 ILE 50 -5.897 2.133 -4.723
358 HG21 ILE 50 HG21 ILE 50 -7.674 3.670 -3.847
359 HG22 ILE 50 HG22 ILE 50 -7.216 3.305 -2.176
360 HG23 ILE 50 HG23 ILE 50 -8.882 3.049 -2.700
361 HD11 ILE 50 HD11 ILE 50 -5.031 1.479 -1.923
362 HD12 ILE 50 HD12 ILE 50 -5.219 3.107 -2.582
363 HD13 ILE 50 HD13 ILE 50 -3.998 2.018 -3.250
364 H ILE 51 H ILE 51 -9.584 1.516 -0.598
365 HA ILE 51 HA ILE 51 -11.481 -0.491 -1.208
366 HB ILE 51 HB ILE 51 -11.960 2.255 0.018
367 HG12 ILE 51 HG12 ILE 51 -11.451 -0.405 1.380
368 HG13 ILE 51 HG13 ILE 51 -10.288 0.910 1.269
369 HG21 ILE 51 HG21 ILE 51 -13.976 1.207 0.977
370 HG22 ILE 51 HG22 ILE 51 -13.620 -0.277 0.091
371 HG23 ILE 51 HG23 ILE 51 -14.016 1.201 -0.786
372 HD11 ILE 51 HD11 ILE 51 -11.768 2.318 2.612
373 HD12 ILE 51 HD12 ILE 51 -11.338 0.831 3.457
374 HD13 ILE 51 HD13 ILE 51 -12.929 0.994 2.715
375 H ILE 52 H ILE 52 -12.839 -0.603 -2.869
376 HA ILE 52 HA ILE 52 -12.514 1.152 -5.072
377 HB ILE 52 HB ILE 52 -14.605 -1.018 -4.653
378 HG12 ILE 52 HG12 ILE 52 -11.907 -1.147 -6.026
379 HG13 ILE 52 HG13 ILE 52 -12.297 -1.854 -4.464
380 HG21 ILE 52 HG21 ILE 52 -15.204 0.548 -6.448
381 HG22 ILE 52 HG22 ILE 52 -14.803 -1.046 -7.088
382 HG23 ILE 52 HG23 ILE 52 -13.636 0.270 -7.212
383 HD11 ILE 52 HD11 ILE 52 -12.267 -3.530 -6.222
384 HD12 ILE 52 HD12 ILE 52 -13.504 -2.639 -7.112
385 HD13 ILE 52 HD13 ILE 52 -13.887 -3.360 -5.547
386 H HIS 53 H HIS 53 -14.921 0.723 -2.607
387 HA HIS 53 HA HIS 53 -16.636 2.734 -3.786
388 HB2 HIS 53 HB2 HIS 53 -17.021 0.963 -1.361
389 HB3 HIS 53 HB3 HIS 53 -18.199 2.143 -1.923
390 HD1 HIS 53 HD3 HIS 53 -17.449 -1.369 -2.198
391 HD2 HIS 53 HD2 HIS 53 -18.957 1.563 -4.713
392 HE1 HIS 53 HE1 HIS 53 -18.610 -2.596 -4.060