NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26203 |
2kg8   |
16197 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -21.298 -7.763 2.682
2 H2 MET 1 HT2 MET 1 -20.203 -7.928 1.373
3 H3 MET 1 HT3 MET 1 -21.473 -6.894 1.249
4 HA MET 1 HA MET 1 -20.624 -5.412 2.848
5 HB2 MET 1 HB2 MET 1 -18.468 -5.731 3.907
6 HB3 MET 1 HB1 MET 1 -19.434 -7.155 4.248
7 HG2 MET 1 HG2 MET 1 -17.299 -6.981 2.119
8 HG3 MET 1 HG1 MET 1 -17.055 -7.637 3.730
9 HE1 MET 1 HE1 MET 1 -19.272 -10.859 3.661
10 HE2 MET 1 HE2 MET 1 -19.721 -9.261 4.259
11 HE3 MET 1 HE3 MET 1 -18.110 -9.905 4.585
12 H ALA 2 HN ALA 2 -18.669 -3.990 2.310
13 HA ALA 2 HA ALA 2 -18.482 -3.786 -0.529
14 HB1 ALA 2 HB1 ALA 2 -16.989 -1.900 -0.066
15 HB2 ALA 2 HB2 ALA 2 -16.939 -2.357 1.638
16 HB3 ALA 2 HB3 ALA 2 -18.452 -1.806 0.914
17 H THR 3 HN THR 3 -16.644 -4.153 -1.821
18 HA THR 3 HA THR 3 -15.099 -6.412 -0.994
19 HB THR 3 HB THR 3 -14.676 -4.719 -3.380
20 HG1 THR 3 HG1 THR 3 -16.669 -6.725 -2.908
21 HG21 THR 3 HG21 THR 3 -14.398 -7.685 -2.878
22 HG22 THR 3 HG22 THR 3 -13.081 -6.519 -3.002
23 HG23 THR 3 HG23 THR 3 -14.068 -6.888 -4.416
24 H LEU 4 HN LEU 4 -13.521 -5.973 0.463
25 HA LEU 4 HA LEU 4 -11.910 -3.558 0.162
26 HB2 LEU 4 HB2 LEU 4 -11.932 -5.616 2.368
27 HB3 LEU 4 HB1 LEU 4 -10.993 -4.137 2.361
28 HG LEU 4 HG LEU 4 -13.977 -4.348 2.440
29 HD11 LEU 4 HD11 LEU 4 -13.754 -3.430 4.706
30 HD12 LEU 4 HD12 LEU 4 -11.999 -3.514 4.552
31 HD13 LEU 4 HD13 LEU 4 -12.960 -4.994 4.538
32 HD21 LEU 4 HD21 LEU 4 -13.936 -1.907 2.815
33 HD22 LEU 4 HD22 LEU 4 -13.324 -2.370 1.229
34 HD23 LEU 4 HD23 LEU 4 -12.198 -1.923 2.509
35 H LEU 5 HN LEU 5 -9.616 -3.738 0.225
36 HA LEU 5 HA LEU 5 -8.677 -5.930 -1.346
37 HB2 LEU 5 HB2 LEU 5 -7.154 -3.659 -0.049
38 HB3 LEU 5 HB1 LEU 5 -6.478 -4.827 -1.166
39 HG LEU 5 HG LEU 5 -8.571 -2.754 -1.764
40 HD11 LEU 5 HD11 LEU 5 -5.729 -3.081 -2.694
41 HD12 LEU 5 HD12 LEU 5 -6.326 -1.884 -1.546
42 HD13 LEU 5 HD13 LEU 5 -6.856 -1.831 -3.227
43 HD21 LEU 5 HD21 LEU 5 -8.430 -3.548 -4.077
44 HD22 LEU 5 HD22 LEU 5 -9.040 -4.797 -2.994
45 HD23 LEU 5 HD23 LEU 5 -7.368 -4.858 -3.559
46 H THR 6 HN THR 6 -7.311 -7.513 -0.710
47 HA THR 6 HA THR 6 -7.310 -8.004 2.147
48 HB THR 6 HB THR 6 -6.558 -10.286 1.498
49 HG1 THR 6 HG1 THR 6 -6.852 -9.256 -1.171
50 HG21 THR 6 HG21 THR 6 -8.963 -9.827 1.718
51 HG22 THR 6 HG22 THR 6 -8.668 -11.007 0.440
52 HG23 THR 6 HG23 THR 6 -9.028 -9.332 0.026
53 H THR 7 HN THR 7 -5.054 -9.398 2.603
54 HA THR 7 HA THR 7 -3.113 -7.391 2.209
55 HB THR 7 HB THR 7 -1.608 -9.080 3.412
56 HG1 THR 7 HG1 THR 7 -2.511 -10.837 4.206
57 HG21 THR 7 HG21 THR 7 -2.582 -7.103 4.457
58 HG22 THR 7 HG22 THR 7 -2.605 -8.466 5.577
59 HG23 THR 7 HG23 THR 7 -4.083 -7.981 4.749
60 H ASP 8 HN ASP 8 -3.970 -10.253 0.613
61 HA ASP 8 HA ASP 8 -1.510 -10.586 -0.772
62 HB2 ASP 8 HB2 ASP 8 -4.295 -11.556 -1.418
63 HB3 ASP 8 HB1 ASP 8 -2.931 -11.856 -2.485
64 H ASP 9 HN ASP 9 -4.476 -8.859 -1.470
65 HA ASP 9 HA ASP 9 -3.795 -7.901 -4.048
66 HB2 ASP 9 HB2 ASP 9 -5.450 -6.466 -1.940
67 HB3 ASP 9 HB1 ASP 9 -5.364 -6.011 -3.630
68 H LEU 10 HN LEU 10 -3.416 -6.489 -0.857
69 HA LEU 10 HA LEU 10 -2.089 -4.133 -1.588
70 HB2 LEU 10 HB2 LEU 10 -3.109 -4.542 0.618
71 HB3 LEU 10 HB1 LEU 10 -1.867 -5.726 0.963
72 HG LEU 10 HG LEU 10 -0.165 -3.923 0.880
73 HD11 LEU 10 HD11 LEU 10 -0.889 -1.592 0.939
74 HD12 LEU 10 HD12 LEU 10 -2.554 -2.101 0.666
75 HD13 LEU 10 HD13 LEU 10 -1.337 -2.368 -0.582
76 HD21 LEU 10 HD21 LEU 10 -2.436 -3.475 2.804
77 HD22 LEU 10 HD22 LEU 10 -0.775 -2.915 3.017
78 HD23 LEU 10 HD23 LEU 10 -1.131 -4.644 2.995
79 H ARG 11 HN ARG 11 -0.781 -7.271 -0.525
80 HA ARG 11 HA ARG 11 1.911 -6.586 -0.609
81 HB2 ARG 11 HB2 ARG 11 1.140 -8.594 0.531
82 HB3 ARG 11 HB1 ARG 11 0.641 -9.301 -0.997
83 HG2 ARG 11 HG2 ARG 11 2.946 -9.417 -1.735
84 HG3 ARG 11 HG1 ARG 11 3.479 -8.612 -0.263
85 HD2 ARG 11 HD2 ARG 11 3.836 -11.023 -0.145
86 HD3 ARG 11 HD1 ARG 11 2.683 -10.485 1.071
87 HE ARG 11 HE ARG 11 1.134 -11.248 -1.048
88 HH11 ARG 11 HH11 ARG 11 3.749 -12.890 0.619
89 HH12 ARG 11 HH12 ARG 11 2.978 -14.413 0.692
90 HH21 ARG 11 HH21 ARG 11 0.012 -13.352 -0.949
91 HH22 ARG 11 HH22 ARG 11 0.839 -14.670 -0.275
92 H ARG 12 HN ARG 12 -0.176 -7.839 -3.193
93 HA ARG 12 HA ARG 12 1.931 -8.318 -4.944
94 HB2 ARG 12 HB2 ARG 12 -0.953 -8.313 -5.195
95 HB3 ARG 12 HB1 ARG 12 -0.181 -7.684 -6.650
96 HG2 ARG 12 HG2 ARG 12 0.548 -10.284 -5.322
97 HG3 ARG 12 HG1 ARG 12 -0.527 -10.125 -6.718
98 HD2 ARG 12 HD2 ARG 12 1.165 -9.446 -8.124
99 HD3 ARG 12 HD1 ARG 12 2.203 -8.888 -6.821
100 HE ARG 12 HE ARG 12 1.652 -11.740 -7.134
101 HH11 ARG 12 HH11 ARG 12 3.905 -9.020 -7.359
102 HH12 ARG 12 HH12 ARG 12 5.330 -9.953 -7.344
103 HH21 ARG 12 HH21 ARG 12 3.675 -13.100 -7.070
104 HH22 ARG 12 HH22 ARG 12 5.174 -12.314 -7.144
105 H ALA 13 HN ALA 13 -0.017 -5.420 -4.602
106 HA ALA 13 HA ALA 13 1.328 -3.985 -6.627
107 HB1 ALA 13 HB1 ALA 13 0.350 -1.991 -5.582
108 HB2 ALA 13 HB2 ALA 13 -0.109 -2.953 -4.175
109 HB3 ALA 13 HB3 ALA 13 -0.841 -3.280 -5.745
110 H LEU 14 HN LEU 14 1.817 -4.391 -3.221
111 HA LEU 14 HA LEU 14 3.803 -2.544 -2.650
112 HB2 LEU 14 HB2 LEU 14 2.463 -3.794 -1.032
113 HB3 LEU 14 HB1 LEU 14 3.293 -5.265 -1.477
114 HG LEU 14 HG LEU 14 5.397 -4.267 -0.597
115 HD11 LEU 14 HD11 LEU 14 3.513 -2.140 0.396
116 HD12 LEU 14 HD12 LEU 14 4.777 -1.928 -0.815
117 HD13 LEU 14 HD13 LEU 14 5.207 -2.319 0.850
118 HD21 LEU 14 HD21 LEU 14 3.074 -4.465 1.308
119 HD22 LEU 14 HD22 LEU 14 4.784 -4.565 1.740
120 HD23 LEU 14 HD23 LEU 14 4.061 -5.801 0.714
121 H VAL 15 HN VAL 15 4.159 -6.004 -3.406
122 HA VAL 15 HA VAL 15 6.936 -6.255 -3.251
123 HB VAL 15 HB VAL 15 5.055 -7.781 -5.086
124 HG11 VAL 15 HG11 VAL 15 6.743 -9.556 -5.044
125 HG12 VAL 15 HG12 VAL 15 7.812 -8.511 -4.108
126 HG13 VAL 15 HG13 VAL 15 7.378 -8.073 -5.761
127 HG21 VAL 15 HG21 VAL 15 6.043 -8.429 -2.320
128 HG22 VAL 15 HG22 VAL 15 5.050 -9.477 -3.338
129 HG23 VAL 15 HG23 VAL 15 4.405 -7.943 -2.754
130 H GLU 16 HN GLU 16 4.918 -5.509 -6.026
131 HA GLU 16 HA GLU 16 7.033 -5.657 -7.844
132 HB2 GLU 16 HB2 GLU 16 4.280 -4.501 -8.169
133 HB3 GLU 16 HB1 GLU 16 5.426 -4.746 -9.490
134 HG2 GLU 16 HG2 GLU 16 5.497 -7.143 -8.984
135 HG3 GLU 16 HG1 GLU 16 4.346 -6.895 -7.676
136 H SER 17 HN SER 17 5.775 -2.875 -6.069
137 HA SER 17 HA SER 17 7.446 -1.074 -7.631
138 HB2 SER 17 HB2 SER 17 6.068 -0.406 -5.061
139 HB3 SER 17 HB1 SER 17 6.425 0.638 -6.438
140 HG SER 17 HG SER 17 4.271 -0.543 -5.886
141 H ALA 18 HN ALA 18 7.709 -3.064 -4.911
142 HA ALA 18 HA ALA 18 9.245 -1.621 -3.092
143 HB1 ALA 18 HB1 ALA 18 8.087 -3.707 -2.592
144 HB2 ALA 18 HB2 ALA 18 9.778 -3.744 -2.093
145 HB3 ALA 18 HB3 ALA 18 9.271 -4.584 -3.560
146 H GLY 19 HN GLY 19 10.224 -3.018 -6.046
147 HA2 GLY 19 HA2 GLY 19 12.905 -2.140 -5.584
148 HA3 GLY 19 HA1 GLY 19 12.732 -3.885 -5.750
149 H GLU 20 HN GLU 20 13.677 -4.159 -7.601
150 HA GLU 20 HA GLU 20 13.257 -2.478 -9.895
151 HB2 GLU 20 HB2 GLU 20 15.407 -3.544 -9.291
152 HB3 GLU 20 HB1 GLU 20 14.663 -5.111 -9.537
153 HG2 GLU 20 HG2 GLU 20 14.306 -4.442 -11.926
154 HG3 GLU 20 HG1 GLU 20 15.310 -3.026 -11.599
155 H THR 21 HN THR 21 10.861 -2.868 -9.919
156 HA THR 21 HA THR 21 8.932 -3.838 -10.600
157 HB THR 21 HB THR 21 10.704 -5.179 -12.653
158 HG1 THR 21 HG1 THR 21 10.953 -2.833 -12.383
159 HG21 THR 21 HG21 THR 21 8.374 -5.960 -12.619
160 HG22 THR 21 HG22 THR 21 8.686 -5.021 -14.084
161 HG23 THR 21 HG23 THR 21 7.805 -4.297 -12.734
162 H ASP 22 HN ASP 22 8.732 -4.976 -8.744
163 HA ASP 22 HA ASP 22 8.214 -6.769 -7.417
164 HB2 ASP 22 HB2 ASP 22 7.513 -8.085 -9.467
165 HB3 ASP 22 HB1 ASP 22 9.179 -8.593 -9.672
166 H GLY 23 HN GLY 23 9.614 -6.182 -5.981
167 HA2 GLY 23 HA2 GLY 23 12.379 -7.200 -6.306
168 HA3 GLY 23 HA1 GLY 23 12.026 -5.600 -5.692
169 H THR 24 HN THR 24 9.892 -6.478 -3.877
170 HA THR 24 HA THR 24 11.483 -8.041 -1.971
171 HB THR 24 HB THR 24 9.793 -5.625 -1.222
172 HG1 THR 24 HG1 THR 24 11.585 -4.366 -1.389
173 HG21 THR 24 HG21 THR 24 10.351 -7.226 0.570
174 HG22 THR 24 HG22 THR 24 11.157 -5.676 0.815
175 HG23 THR 24 HG23 THR 24 12.062 -7.051 0.181
176 H ASP 25 HN ASP 25 10.330 -9.798 -1.620
177 HA ASP 25 HA ASP 25 7.687 -10.174 -2.526
178 HB2 ASP 25 HB2 ASP 25 7.786 -12.431 -1.648
179 HB3 ASP 25 HB1 ASP 25 9.294 -12.020 -2.450
180 H LEU 26 HN LEU 26 8.788 -9.489 0.777
181 HA LEU 26 HA LEU 26 7.698 -9.113 2.682
182 HB2 LEU 26 HB2 LEU 26 5.687 -8.069 0.729
183 HB3 LEU 26 HB1 LEU 26 5.299 -8.112 2.434
184 HG LEU 26 HG LEU 26 6.011 -5.964 2.077
185 HD11 LEU 26 HD11 LEU 26 8.380 -7.465 3.082
186 HD12 LEU 26 HD12 LEU 26 7.012 -6.856 4.015
187 HD13 LEU 26 HD13 LEU 26 8.139 -5.723 3.256
188 HD21 LEU 26 HD21 LEU 26 8.344 -6.999 0.483
189 HD22 LEU 26 HD22 LEU 26 8.050 -5.309 0.886
190 HD23 LEU 26 HD23 LEU 26 6.919 -6.180 -0.153
191 H SER 27 HN SER 27 7.437 -11.782 1.615
192 HA SER 27 HA SER 27 4.809 -12.691 2.344
193 HB2 SER 27 HB2 SER 27 7.307 -14.358 2.064
194 HB3 SER 27 HB1 SER 27 5.634 -14.892 1.881
195 HG SER 27 HG SER 27 7.246 -13.364 0.236
196 H GLY 28 HN GLY 28 4.353 -12.159 4.403
197 HA2 GLY 28 HA2 GLY 28 4.837 -13.694 6.525
198 HA3 GLY 28 HA1 GLY 28 6.171 -12.528 6.571
199 H ASP 29 HN ASP 29 5.371 -11.438 8.399
200 HA ASP 29 HA ASP 29 2.733 -10.229 8.095
201 HB2 ASP 29 HB2 ASP 29 4.609 -10.223 10.474
202 HB3 ASP 29 HB1 ASP 29 3.090 -9.333 10.425
203 H PHE 30 HN PHE 30 3.284 -8.963 6.401
204 HA PHE 30 HA PHE 30 5.471 -7.132 6.629
205 HB2 PHE 30 HB2 PHE 30 4.838 -6.350 4.392
206 HB3 PHE 30 HB1 PHE 30 5.013 -8.092 4.464
207 HD1 PHE 30 HD2 PHE 30 3.009 -9.533 4.348
208 HD2 PHE 30 HD1 PHE 30 2.765 -5.317 3.843
209 HE1 PHE 30 HE2 PHE 30 0.778 -9.785 3.361
210 HE2 PHE 30 HE1 PHE 30 0.524 -5.564 2.860
211 HZ PHE 30 HZ PHE 30 -0.424 -7.779 2.522
212 H LEU 31 HN LEU 31 2.227 -7.052 7.508
213 HA LEU 31 HA LEU 31 1.758 -4.250 7.178
214 HB2 LEU 31 HB2 LEU 31 0.428 -6.227 9.035
215 HB3 LEU 31 HB1 LEU 31 -0.092 -4.580 8.810
216 HG LEU 31 HG LEU 31 -1.581 -5.944 7.631
217 HD11 LEU 31 HD11 LEU 31 -1.345 -5.254 5.313
218 HD12 LEU 31 HD12 LEU 31 0.313 -4.756 5.644
219 HD13 LEU 31 HD13 LEU 31 -1.029 -3.944 6.451
220 HD21 LEU 31 HD21 LEU 31 -0.252 -7.948 7.538
221 HD22 LEU 31 HD22 LEU 31 0.759 -7.242 6.266
222 HD23 LEU 31 HD23 LEU 31 -0.948 -7.575 5.962
223 H ASP 32 HN ASP 32 3.285 -6.234 9.496
224 HA ASP 32 HA ASP 32 3.302 -4.192 11.556
225 HB2 ASP 32 HB2 ASP 32 2.850 -6.569 12.123
226 HB3 ASP 32 HB1 ASP 32 4.466 -6.982 11.571
227 H LEU 33 HN LEU 33 5.051 -4.966 8.882
228 HA LEU 33 HA LEU 33 7.604 -4.071 9.978
229 HB2 LEU 33 HB2 LEU 33 6.885 -5.240 7.287
230 HB3 LEU 33 HB1 LEU 33 8.480 -4.665 7.716
231 HG LEU 33 HG LEU 33 7.050 -6.990 9.008
232 HD11 LEU 33 HD11 LEU 33 7.720 -7.450 6.721
233 HD12 LEU 33 HD12 LEU 33 8.745 -8.336 7.858
234 HD13 LEU 33 HD13 LEU 33 9.345 -6.867 7.079
235 HD21 LEU 33 HD21 LEU 33 8.558 -5.837 10.554
236 HD22 LEU 33 HD22 LEU 33 9.862 -5.942 9.369
237 HD23 LEU 33 HD23 LEU 33 9.202 -7.411 10.091
238 H ARG 34 HN ARG 34 8.076 -2.054 9.750
239 HA ARG 34 HA ARG 34 6.296 -0.264 8.359
240 HB2 ARG 34 HB2 ARG 34 8.990 0.394 9.539
241 HB3 ARG 34 HB1 ARG 34 7.697 1.515 9.149
242 HG2 ARG 34 HG2 ARG 34 6.303 0.432 10.890
243 HG3 ARG 34 HG1 ARG 34 7.694 -0.563 11.324
244 HD2 ARG 34 HD2 ARG 34 7.484 2.434 11.448
245 HD3 ARG 34 HD1 ARG 34 7.584 1.316 12.809
246 HE ARG 34 HE ARG 34 9.836 0.771 12.020
247 HH11 ARG 34 HH11 ARG 34 8.402 3.787 10.809
248 HH12 ARG 34 HH12 ARG 34 9.883 4.631 10.751
249 HH21 ARG 34 HH21 ARG 34 11.898 1.930 11.877
250 HH22 ARG 34 HH22 ARG 34 11.886 3.565 11.412
251 H PHE 35 HN PHE 35 6.921 1.165 6.665
252 HA PHE 35 HA PHE 35 8.171 -0.175 4.558
253 HB2 PHE 35 HB2 PHE 35 7.367 2.716 4.834
254 HB3 PHE 35 HB1 PHE 35 8.072 2.064 3.356
255 HD1 PHE 35 HD2 PHE 35 6.860 -0.064 2.387
256 HD2 PHE 35 HD1 PHE 35 5.097 2.670 5.106
257 HE1 PHE 35 HE2 PHE 35 4.637 -0.805 1.690
258 HE2 PHE 35 HE1 PHE 35 2.870 1.926 4.411
259 HZ PHE 35 HZ PHE 35 2.665 0.163 2.630
260 H GLU 36 HN GLU 36 9.462 2.167 6.779
261 HA GLU 36 HA GLU 36 11.891 2.662 5.460
262 HB2 GLU 36 HB2 GLU 36 11.384 2.595 8.438
263 HB3 GLU 36 HB1 GLU 36 12.703 3.425 7.625
264 HG2 GLU 36 HG2 GLU 36 9.774 4.085 7.386
265 HG3 GLU 36 HG1 GLU 36 10.970 4.976 8.319
266 H ASP 37 HN ASP 37 10.831 0.052 7.564
267 HA ASP 37 HA ASP 37 13.477 -1.050 7.875
268 HB2 ASP 37 HB2 ASP 37 10.786 -2.114 8.754
269 HB3 ASP 37 HB1 ASP 37 12.314 -2.919 9.069
270 H ILE 38 HN ILE 38 11.118 -1.249 5.466
271 HA ILE 38 HA ILE 38 12.237 -3.824 4.605
272 HB ILE 38 HB ILE 38 10.248 -4.035 3.048
273 HG12 ILE 38 HG12 ILE 38 9.165 -1.758 4.726
274 HG13 ILE 38 HG11 ILE 38 9.595 -1.690 3.020
275 HG21 ILE 38 HG21 ILE 38 10.392 -5.274 5.138
276 HG22 ILE 38 HG22 ILE 38 8.724 -4.782 4.841
277 HG23 ILE 38 HG23 ILE 38 9.712 -3.907 6.015
278 HD11 ILE 38 HD11 ILE 38 7.186 -1.862 3.335
279 HD12 ILE 38 HD12 ILE 38 7.402 -3.379 4.207
280 HD13 ILE 38 HD13 ILE 38 7.822 -3.278 2.497
281 H GLY 39 HN GLY 39 13.333 -1.158 4.265
282 HA2 GLY 39 HA2 GLY 39 14.472 0.061 2.670
283 HA3 GLY 39 HA1 GLY 39 14.482 -1.432 1.740
284 H TYR 40 HN TYR 40 11.877 0.746 2.739
285 HA TYR 40 HA TYR 40 11.008 0.754 -0.055
286 HB2 TYR 40 HB2 TYR 40 9.593 0.119 2.235
287 HB3 TYR 40 HB1 TYR 40 9.148 1.788 1.906
288 HD1 TYR 40 HD1 TYR 40 9.299 -1.588 0.311
289 HD2 TYR 40 HD2 TYR 40 7.668 2.330 0.325
290 HE1 TYR 40 HE1 TYR 40 7.655 -2.279 -1.361
291 HE2 TYR 40 HE2 TYR 40 6.055 1.706 -1.329
292 HH TYR 40 HH TYR 40 5.500 0.003 -2.896
293 H ASP 41 HN ASP 41 11.001 2.581 -1.082
294 HA ASP 41 HA ASP 41 11.424 5.057 0.371
295 HB2 ASP 41 HB2 ASP 41 11.884 5.993 -1.873
296 HB3 ASP 41 HB1 ASP 41 12.934 4.624 -1.528
297 H SER 42 HN SER 42 9.911 6.782 0.034
298 HA SER 42 HA SER 42 7.316 5.754 -0.169
299 HB2 SER 42 HB2 SER 42 6.898 8.425 -0.052
300 HB3 SER 42 HB1 SER 42 7.166 7.437 1.375
301 H LEU 43 HN LEU 43 9.388 6.929 -2.588
302 HA LEU 43 HA LEU 43 7.375 7.836 -4.377
303 HB2 LEU 43 HB2 LEU 43 9.853 8.269 -4.620
304 HB3 LEU 43 HB1 LEU 43 10.072 6.585 -5.017
305 HG LEU 43 HG LEU 43 8.462 8.510 -6.728
306 HD11 LEU 43 HD11 LEU 43 10.426 8.591 -8.164
307 HD12 LEU 43 HD12 LEU 43 11.321 7.616 -7.000
308 HD13 LEU 43 HD13 LEU 43 10.775 9.234 -6.560
309 HD21 LEU 43 HD21 LEU 43 8.791 6.845 -8.486
310 HD22 LEU 43 HD22 LEU 43 7.956 6.127 -7.108
311 HD23 LEU 43 HD23 LEU 43 9.672 5.809 -7.363
312 H ALA 44 HN ALA 44 9.001 4.724 -3.895
313 HA ALA 44 HA ALA 44 7.478 3.166 -5.660
314 HB1 ALA 44 HB1 ALA 44 8.187 1.232 -4.336
315 HB2 ALA 44 HB2 ALA 44 8.656 2.291 -3.009
316 HB3 ALA 44 HB3 ALA 44 9.531 2.352 -4.539
317 H LEU 45 HN LEU 45 6.915 4.164 -2.383
318 HA LEU 45 HA LEU 45 4.615 2.653 -1.857
319 HB2 LEU 45 HB2 LEU 45 5.908 3.740 -0.113
320 HB3 LEU 45 HB1 LEU 45 5.512 5.313 -0.758
321 HG LEU 45 HG LEU 45 3.192 5.049 -0.071
322 HD11 LEU 45 HD11 LEU 45 3.000 2.632 -0.399
323 HD12 LEU 45 HD12 LEU 45 2.495 3.105 1.224
324 HD13 LEU 45 HD13 LEU 45 4.074 2.361 0.973
325 HD21 LEU 45 HD21 LEU 45 3.547 5.025 2.342
326 HD22 LEU 45 HD22 LEU 45 4.798 5.960 1.519
327 HD23 LEU 45 HD23 LEU 45 5.150 4.334 2.104
328 H MET 46 HN MET 46 4.986 5.931 -3.155
329 HA MET 46 HA MET 46 2.275 6.571 -3.523
330 HB2 MET 46 HB2 MET 46 4.618 7.387 -5.257
331 HB3 MET 46 HB1 MET 46 3.035 8.140 -5.271
332 HG2 MET 46 HG2 MET 46 4.977 8.112 -2.983
333 HG3 MET 46 HG1 MET 46 4.665 9.450 -4.089
334 HE1 MET 46 HE1 MET 46 1.005 10.448 -3.137
335 HE2 MET 46 HE2 MET 46 1.530 9.372 -4.430
336 HE3 MET 46 HE3 MET 46 2.420 10.858 -4.104
337 H GLU 47 HN GLU 47 4.598 5.036 -5.638
338 HA GLU 47 HA GLU 47 3.015 4.730 -7.926
339 HB2 GLU 47 HB2 GLU 47 5.572 4.476 -7.419
340 HB3 GLU 47 HB1 GLU 47 5.190 2.793 -7.126
341 HG2 GLU 47 HG2 GLU 47 4.497 4.144 -9.729
342 HG3 GLU 47 HG1 GLU 47 6.096 3.492 -9.434
343 H THR 48 HN THR 48 3.643 2.459 -5.236
344 HA THR 48 HA THR 48 1.943 0.381 -5.936
345 HB THR 48 HB THR 48 2.761 1.475 -3.229
346 HG1 THR 48 HG1 THR 48 4.471 0.130 -3.460
347 HG21 THR 48 HG21 THR 48 0.718 0.114 -2.962
348 HG22 THR 48 HG22 THR 48 2.120 -0.715 -2.285
349 HG23 THR 48 HG23 THR 48 1.481 -1.202 -3.856
350 H ALA 49 HN ALA 49 1.204 3.161 -3.782
351 HA ALA 49 HA ALA 49 -1.443 2.518 -3.243
352 HB1 ALA 49 HB1 ALA 49 -1.689 4.806 -2.469
353 HB2 ALA 49 HB2 ALA 49 -0.215 5.271 -3.316
354 HB3 ALA 49 HB3 ALA 49 -0.136 4.150 -1.958
355 H ALA 50 HN ALA 50 -0.154 4.637 -5.784
356 HA ALA 50 HA ALA 50 -2.616 5.597 -6.750
357 HB1 ALA 50 HB1 ALA 50 -0.057 5.223 -8.299
358 HB2 ALA 50 HB2 ALA 50 -0.450 6.622 -7.301
359 HB3 ALA 50 HB3 ALA 50 -1.402 6.271 -8.746
360 H ARG 51 HN ARG 51 -0.894 2.661 -7.422
361 HA ARG 51 HA ARG 51 -2.297 1.909 -9.773
362 HB2 ARG 51 HB2 ARG 51 -0.118 0.946 -8.960
363 HB3 ARG 51 HB1 ARG 51 -1.022 0.112 -7.711
364 HG2 ARG 51 HG2 ARG 51 -2.253 -1.124 -9.448
365 HG3 ARG 51 HG1 ARG 51 -1.303 -0.301 -10.687
366 HD2 ARG 51 HD2 ARG 51 -0.303 -2.177 -8.548
367 HD3 ARG 51 HD1 ARG 51 -0.293 -2.438 -10.294
368 HE ARG 51 HE ARG 51 1.179 -0.326 -10.237
369 HH11 ARG 51 HH11 ARG 51 1.500 -3.229 -8.287
370 HH12 ARG 51 HH12 ARG 51 2.963 -2.744 -7.549
371 HH21 ARG 51 HH21 ARG 51 3.225 0.315 -9.278
372 HH22 ARG 51 HH22 ARG 51 3.968 -0.701 -8.144
373 H LEU 52 HN LEU 52 -2.668 1.153 -6.350
374 HA LEU 52 HA LEU 52 -4.957 -0.500 -6.653
375 HB2 LEU 52 HB2 LEU 52 -3.935 0.986 -4.234
376 HB3 LEU 52 HB1 LEU 52 -5.188 -0.238 -4.197
377 HG LEU 52 HG LEU 52 -2.314 -0.708 -5.003
378 HD11 LEU 52 HD11 LEU 52 -2.151 -1.945 -2.908
379 HD12 LEU 52 HD12 LEU 52 -3.799 -1.473 -2.497
380 HD13 LEU 52 HD13 LEU 52 -2.537 -0.248 -2.624
381 HD21 LEU 52 HD21 LEU 52 -4.598 -2.649 -4.620
382 HD22 LEU 52 HD22 LEU 52 -2.921 -3.083 -4.947
383 HD23 LEU 52 HD23 LEU 52 -3.858 -2.208 -6.159
384 H GLU 53 HN GLU 53 -4.503 2.961 -5.859
385 HA GLU 53 HA GLU 53 -7.019 3.739 -5.325
386 HB2 GLU 53 HB2 GLU 53 -4.551 4.805 -6.391
387 HB3 GLU 53 HB1 GLU 53 -5.933 5.819 -6.591
388 HG2 GLU 53 HG2 GLU 53 -6.167 5.570 -4.044
389 HG3 GLU 53 HG1 GLU 53 -4.565 4.826 -4.112
390 H SER 54 HN SER 54 -5.333 3.729 -8.435
391 HA SER 54 HA SER 54 -7.546 4.704 -9.897
392 HB2 SER 54 HB2 SER 54 -5.049 3.323 -10.878
393 HB3 SER 54 HB1 SER 54 -6.125 4.351 -11.826
394 HG SER 54 HG SER 54 -4.268 5.019 -9.858
395 H ARG 55 HN ARG 55 -6.470 1.503 -9.034
396 HA ARG 55 HA ARG 55 -7.980 0.235 -11.119
397 HB2 ARG 55 HB2 ARG 55 -5.894 -0.768 -10.287
398 HB3 ARG 55 HB1 ARG 55 -6.632 -0.986 -8.707
399 HG2 ARG 55 HG2 ARG 55 -8.267 -2.521 -9.686
400 HG3 ARG 55 HG1 ARG 55 -7.520 -2.298 -11.268
401 HD2 ARG 55 HD2 ARG 55 -6.159 -3.423 -8.822
402 HD3 ARG 55 HD1 ARG 55 -6.786 -4.372 -10.167
403 HE ARG 55 HE ARG 55 -5.074 -2.568 -11.283
404 HH11 ARG 55 HH11 ARG 55 -4.760 -5.154 -8.836
405 HH12 ARG 55 HH12 ARG 55 -3.159 -5.543 -9.274
406 HH21 ARG 55 HH21 ARG 55 -2.840 -3.078 -11.800
407 HH22 ARG 55 HH22 ARG 55 -2.032 -4.312 -10.963
408 H TYR 56 HN TYR 56 -8.453 0.830 -7.649
409 HA TYR 56 HA TYR 56 -10.975 -0.629 -7.920
410 HB2 TYR 56 HB2 TYR 56 -9.415 -0.040 -5.412
411 HB3 TYR 56 HB1 TYR 56 -10.955 -0.908 -5.469
412 HD1 TYR 56 HD1 TYR 56 -11.078 -3.029 -6.875
413 HD2 TYR 56 HD2 TYR 56 -7.411 -1.174 -5.791
414 HE1 TYR 56 HE1 TYR 56 -9.900 -5.150 -7.242
415 HE2 TYR 56 HE2 TYR 56 -6.222 -3.284 -6.172
416 HH TYR 56 HH TYR 56 -6.701 -5.648 -6.184
417 H GLY 57 HN GLY 57 -9.820 2.548 -7.356
418 HA2 GLY 57 HA2 GLY 57 -11.298 4.346 -7.776
419 HA3 GLY 57 HA1 GLY 57 -12.624 3.352 -7.202
420 H VAL 58 HN VAL 58 -9.503 4.425 -5.830
421 HA VAL 58 HA VAL 58 -11.049 5.676 -3.695
422 HB VAL 58 HB VAL 58 -9.466 5.036 -1.933
423 HG11 VAL 58 HG11 VAL 58 -10.342 2.643 -3.497
424 HG12 VAL 58 HG12 VAL 58 -11.313 3.527 -2.310
425 HG13 VAL 58 HG13 VAL 58 -9.867 2.640 -1.799
426 HG21 VAL 58 HG21 VAL 58 -7.447 4.869 -3.360
427 HG22 VAL 58 HG22 VAL 58 -8.061 3.295 -3.933
428 HG23 VAL 58 HG23 VAL 58 -7.651 3.523 -2.242
429 H SER 59 HN SER 59 -9.443 7.201 -2.335
430 HA SER 59 HA SER 59 -7.510 8.409 -4.153
431 HB2 SER 59 HB2 SER 59 -9.720 9.954 -2.773
432 HB3 SER 59 HB1 SER 59 -8.440 10.638 -3.777
433 HG SER 59 HG SER 59 -9.580 8.692 -5.134
434 H ILE 60 HN ILE 60 -5.705 8.356 -3.069
435 HA ILE 60 HA ILE 60 -5.680 9.175 -0.250
436 HB ILE 60 HB ILE 60 -3.923 7.054 -1.573
437 HG12 ILE 60 HG12 ILE 60 -5.981 6.828 0.645
438 HG13 ILE 60 HG11 ILE 60 -6.222 6.327 -1.020
439 HG21 ILE 60 HG21 ILE 60 -2.879 6.737 0.656
440 HG22 ILE 60 HG22 ILE 60 -3.827 8.076 1.283
441 HG23 ILE 60 HG23 ILE 60 -2.611 8.365 0.044
442 HD11 ILE 60 HD11 ILE 60 -4.235 5.148 0.905
443 HD12 ILE 60 HD12 ILE 60 -4.524 4.604 -0.754
444 HD13 ILE 60 HD13 ILE 60 -5.796 4.463 0.465
445 HA PRO 61 HA PRO 61 -3.539 12.587 -2.330
446 HB2 PRO 61 HB2 PRO 61 -3.364 13.402 0.532
447 HB3 PRO 61 HB1 PRO 61 -3.905 14.330 -0.873
448 HG2 PRO 61 HG2 PRO 61 -5.680 13.387 0.842
449 HG3 PRO 61 HG1 PRO 61 -5.997 13.313 -0.903
450 HD2 PRO 61 HD2 PRO 61 -5.119 11.141 0.958
451 HD3 PRO 61 HD1 PRO 61 -6.298 11.079 -0.370
452 H ASP 62 HN ASP 62 -1.460 13.444 -2.351
453 HA ASP 62 HA ASP 62 0.685 11.701 -2.071
454 HB2 ASP 62 HB2 ASP 62 0.856 14.740 -2.066
455 HB3 ASP 62 HB1 ASP 62 2.185 13.647 -2.407
456 H ASP 63 HN ASP 63 -0.172 14.404 0.037
457 HA ASP 63 HA ASP 63 1.814 14.077 1.988
458 HB2 ASP 63 HB2 ASP 63 0.616 16.120 2.034
459 HB3 ASP 63 HB1 ASP 63 -0.935 15.303 2.150
460 H VAL 64 HN VAL 64 -1.179 12.401 1.585
461 HA VAL 64 HA VAL 64 -1.090 11.249 4.255
462 HB VAL 64 HB VAL 64 -2.988 10.630 1.962
463 HG11 VAL 64 HG11 VAL 64 -4.444 9.688 3.695
464 HG12 VAL 64 HG12 VAL 64 -3.201 10.002 4.905
465 HG13 VAL 64 HG13 VAL 64 -2.900 8.841 3.614
466 HG21 VAL 64 HG21 VAL 64 -4.590 12.067 3.138
467 HG22 VAL 64 HG22 VAL 64 -3.155 12.965 2.636
468 HG23 VAL 64 HG23 VAL 64 -3.345 12.476 4.320
469 H ALA 65 HN ALA 65 -0.710 10.202 0.898
470 HA ALA 65 HA ALA 65 -0.246 7.478 1.401
471 HB1 ALA 65 HB1 ALA 65 -0.804 8.353 -0.817
472 HB2 ALA 65 HB2 ALA 65 0.677 7.390 -0.846
473 HB3 ALA 65 HB3 ALA 65 0.769 9.148 -0.891
474 H GLY 66 HN GLY 66 2.027 10.185 1.026
475 HA2 GLY 66 HA2 GLY 66 4.255 8.440 1.687
476 HA3 GLY 66 HA1 GLY 66 4.338 10.168 1.361
477 H ARG 67 HN ARG 67 2.219 8.641 3.616
478 HA ARG 67 HA ARG 67 3.707 9.667 5.938
479 HB2 ARG 67 HB2 ARG 67 2.074 11.335 5.161
480 HB3 ARG 67 HB1 ARG 67 0.806 10.148 5.283
481 HG2 ARG 67 HG2 ARG 67 1.030 10.162 7.705
482 HG3 ARG 67 HG1 ARG 67 2.358 11.330 7.573
483 HD2 ARG 67 HD2 ARG 67 0.912 12.921 6.479
484 HD3 ARG 67 HD1 ARG 67 -0.415 11.767 6.475
485 HE ARG 67 HE ARG 67 0.392 12.135 9.095
486 HH11 ARG 67 HH11 ARG 67 -1.029 14.160 6.489
487 HH12 ARG 67 HH12 ARG 67 -1.975 15.075 7.546
488 HH21 ARG 67 HH21 ARG 67 -0.870 13.484 10.547
489 HH22 ARG 67 HH22 ARG 67 -1.886 14.697 9.904
490 H VAL 68 HN VAL 68 2.135 7.137 4.390
491 HA VAL 68 HA VAL 68 1.231 5.922 6.846
492 HB VAL 68 HB VAL 68 0.440 4.013 5.378
493 HG11 VAL 68 HG11 VAL 68 -1.473 5.238 4.474
494 HG12 VAL 68 HG12 VAL 68 -0.607 6.752 4.740
495 HG13 VAL 68 HG13 VAL 68 -1.056 5.738 6.112
496 HG21 VAL 68 HG21 VAL 68 0.194 4.400 2.949
497 HG22 VAL 68 HG22 VAL 68 1.907 4.358 3.385
498 HG23 VAL 68 HG23 VAL 68 1.099 5.894 3.089
499 H ASP 69 HN ASP 69 3.001 5.574 7.940
500 HA ASP 69 HA ASP 69 5.463 4.683 6.878
501 HB2 ASP 69 HB2 ASP 69 5.199 6.062 8.933
502 HB3 ASP 69 HB1 ASP 69 4.498 4.672 9.732
503 H THR 70 HN THR 70 2.710 3.044 8.199
504 HA THR 70 HA THR 70 4.124 0.503 7.792
505 HB THR 70 HB THR 70 2.575 -0.524 9.446
506 HG1 THR 70 HG1 THR 70 1.624 2.157 9.599
507 HG21 THR 70 HG21 THR 70 3.474 0.562 11.455
508 HG22 THR 70 HG22 THR 70 3.987 1.932 10.457
509 HG23 THR 70 HG23 THR 70 4.722 0.345 10.219
510 HA PRO 71 HA PRO 71 1.407 -0.374 4.412
511 HB2 PRO 71 HB2 PRO 71 1.489 -3.194 5.359
512 HB3 PRO 71 HB1 PRO 71 1.900 -2.522 3.775
513 HG2 PRO 71 HG2 PRO 71 3.825 -3.281 5.414
514 HG3 PRO 71 HG1 PRO 71 3.986 -1.773 4.487
515 HD2 PRO 71 HD2 PRO 71 3.227 -2.155 7.365
516 HD3 PRO 71 HD1 PRO 71 4.352 -0.980 6.647
517 H ARG 72 HN ARG 72 0.580 -1.512 7.611
518 HA ARG 72 HA ARG 72 -2.052 -2.341 6.967
519 HB2 ARG 72 HB2 ARG 72 -2.545 -2.269 9.375
520 HB3 ARG 72 HB1 ARG 72 -1.025 -3.089 9.062
521 HG2 ARG 72 HG2 ARG 72 0.210 -1.153 9.779
522 HG3 ARG 72 HG1 ARG 72 -1.282 -0.234 9.966
523 HD2 ARG 72 HD2 ARG 72 -0.521 -0.986 12.126
524 HD3 ARG 72 HD1 ARG 72 -2.013 -1.811 11.699
525 HE ARG 72 HE ARG 72 -0.771 -3.799 11.304
526 HH11 ARG 72 HH11 ARG 72 1.198 -1.168 12.660
527 HH12 ARG 72 HH12 ARG 72 2.279 -2.205 13.471
528 HH21 ARG 72 HH21 ARG 72 0.693 -5.229 12.549
529 HH22 ARG 72 HH22 ARG 72 2.000 -4.549 13.406
530 H GLU 73 HN GLU 73 -0.627 0.762 7.521
531 HA GLU 73 HA GLU 73 -3.058 2.173 8.015
532 HB2 GLU 73 HB2 GLU 73 -0.340 3.076 7.092
533 HB3 GLU 73 HB1 GLU 73 -1.646 4.175 7.475
534 HG2 GLU 73 HG2 GLU 73 -1.641 3.461 9.755
535 HG3 GLU 73 HG1 GLU 73 -0.431 2.225 9.392
536 H LEU 74 HN LEU 74 -1.150 1.345 5.208
537 HA LEU 74 HA LEU 74 -2.462 2.999 3.311
538 HB2 LEU 74 HB2 LEU 74 -0.243 1.514 3.179
539 HB3 LEU 74 HB1 LEU 74 -1.361 0.301 2.599
540 HG LEU 74 HG LEU 74 -0.792 2.953 1.267
541 HD11 LEU 74 HD11 LEU 74 0.019 0.159 0.521
542 HD12 LEU 74 HD12 LEU 74 1.070 1.455 1.101
543 HD13 LEU 74 HD13 LEU 74 0.272 1.599 -0.464
544 HD21 LEU 74 HD21 LEU 74 -2.487 0.639 0.303
545 HD22 LEU 74 HD22 LEU 74 -2.100 2.089 -0.624
546 HD23 LEU 74 HD23 LEU 74 -3.097 2.208 0.824
547 H LEU 75 HN LEU 75 -2.914 -0.370 4.340
548 HA LEU 75 HA LEU 75 -5.196 -0.794 2.712
549 HB2 LEU 75 HB2 LEU 75 -3.830 -2.666 3.474
550 HB3 LEU 75 HB1 LEU 75 -4.232 -2.313 5.141
551 HG LEU 75 HG LEU 75 -6.559 -2.964 4.742
552 HD11 LEU 75 HD11 LEU 75 -6.735 -2.268 2.395
553 HD12 LEU 75 HD12 LEU 75 -7.293 -3.908 2.642
554 HD13 LEU 75 HD13 LEU 75 -5.707 -3.622 1.917
555 HD21 LEU 75 HD21 LEU 75 -4.582 -5.009 3.736
556 HD22 LEU 75 HD22 LEU 75 -6.197 -5.354 4.348
557 HD23 LEU 75 HD23 LEU 75 -4.971 -4.684 5.425
558 H ASP 76 HN ASP 76 -4.718 0.489 5.906
559 HA ASP 76 HA ASP 76 -7.383 0.360 6.859
560 HB2 ASP 76 HB2 ASP 76 -5.569 0.874 8.387
561 HB3 ASP 76 HB1 ASP 76 -5.160 2.319 7.473
562 H LEU 77 HN LEU 77 -5.582 2.821 5.149
563 HA LEU 77 HA LEU 77 -7.588 4.741 4.864
564 HB2 LEU 77 HB2 LEU 77 -5.292 4.050 3.052
565 HB3 LEU 77 HB1 LEU 77 -6.289 5.468 2.863
566 HG LEU 77 HG LEU 77 -4.481 4.885 5.218
567 HD11 LEU 77 HD11 LEU 77 -4.249 6.832 2.945
568 HD12 LEU 77 HD12 LEU 77 -3.279 5.376 3.179
569 HD13 LEU 77 HD13 LEU 77 -3.160 6.707 4.327
570 HD21 LEU 77 HD21 LEU 77 -5.003 7.167 5.893
571 HD22 LEU 77 HD22 LEU 77 -6.468 6.184 5.845
572 HD23 LEU 77 HD23 LEU 77 -6.127 7.325 4.543
573 H ILE 78 HN ILE 78 -6.555 2.178 2.643
574 HA ILE 78 HA ILE 78 -8.620 2.704 0.816
575 HB ILE 78 HB ILE 78 -6.817 0.305 1.112
576 HG12 ILE 78 HG12 ILE 78 -6.965 2.618 -0.821
577 HG13 ILE 78 HG11 ILE 78 -5.705 2.278 0.355
578 HG21 ILE 78 HG21 ILE 78 -7.622 -0.498 -1.072
579 HG22 ILE 78 HG22 ILE 78 -8.851 0.768 -1.074
580 HG23 ILE 78 HG23 ILE 78 -8.906 -0.512 0.137
581 HD11 ILE 78 HD11 ILE 78 -5.035 1.790 -1.962
582 HD12 ILE 78 HD12 ILE 78 -6.345 0.610 -2.045
583 HD13 ILE 78 HD13 ILE 78 -4.999 0.351 -0.924
584 H ASN 79 HN ASN 79 -8.494 0.632 3.599
585 HA ASN 79 HA ASN 79 -10.897 -0.746 3.224
586 HB2 ASN 79 HB2 ASN 79 -9.247 -0.060 5.567
587 HB3 ASN 79 HB1 ASN 79 -10.942 -0.325 5.922
588 HD21 ASN 79 HD21 ASN 79 -9.146 -1.980 3.399
589 HD22 ASN 79 HD22 ASN 79 -9.222 -3.547 4.136
590 H GLY 80 HN GLY 80 -10.266 2.355 4.788
591 HA2 GLY 80 HA2 GLY 80 -12.989 2.852 5.443
592 HA3 GLY 80 HA1 GLY 80 -11.686 4.034 5.447
593 H ALA 81 HN ALA 81 -11.084 3.367 2.637
594 HA ALA 81 HA ALA 81 -12.867 5.289 1.485
595 HB1 ALA 81 HB1 ALA 81 -10.465 5.357 1.047
596 HB2 ALA 81 HB2 ALA 81 -11.389 5.173 -0.443
597 HB3 ALA 81 HB3 ALA 81 -10.565 3.783 0.262
598 H LEU 82 HN LEU 82 -12.001 1.894 0.788
599 HA LEU 82 HA LEU 82 -13.871 1.616 -1.326
600 HB2 LEU 82 HB2 LEU 82 -12.282 -0.371 0.243
601 HB3 LEU 82 HB1 LEU 82 -13.479 -0.895 -0.908
602 HG LEU 82 HG LEU 82 -10.960 0.694 -1.544
603 HD11 LEU 82 HD11 LEU 82 -10.307 -1.320 -2.705
604 HD12 LEU 82 HD12 LEU 82 -11.791 -2.121 -2.184
605 HD13 LEU 82 HD13 LEU 82 -10.584 -1.639 -0.992
606 HD21 LEU 82 HD21 LEU 82 -12.854 1.344 -2.990
607 HD22 LEU 82 HD22 LEU 82 -13.136 -0.356 -3.367
608 HD23 LEU 82 HD23 LEU 82 -11.637 0.423 -3.874
609 H ALA 83 HN ALA 83 -14.088 0.945 2.127
610 HA ALA 83 HA ALA 83 -16.482 -0.579 1.897
611 HB1 ALA 83 HB1 ALA 83 -15.374 0.856 4.304
612 HB2 ALA 83 HB2 ALA 83 -14.982 -0.794 3.825
613 HB3 ALA 83 HB3 ALA 83 -16.625 -0.385 4.319
614 H GLU 84 HN GLU 84 -15.773 2.734 1.881
615 HA GLU 84 HA GLU 84 -18.551 3.439 2.450
616 HB2 GLU 84 HB2 GLU 84 -16.731 4.403 3.845
617 HB3 GLU 84 HB1 GLU 84 -16.065 5.148 2.403
618 HG2 GLU 84 HG2 GLU 84 -17.946 6.580 2.200
619 HG3 GLU 84 HG1 GLU 84 -18.811 5.711 3.470
620 H ALA 85 HN ALA 85 -17.056 2.447 -0.060
621 HA ALA 85 HA ALA 85 -17.993 4.547 -1.890
622 HB1 ALA 85 HB1 ALA 85 -15.989 2.326 -2.350
623 HB2 ALA 85 HB2 ALA 85 -15.608 4.036 -2.145
624 HB3 ALA 85 HB3 ALA 85 -16.511 3.497 -3.561
625 H ALA 86 HN ALA 86 -19.340 3.832 -3.639
626 HA ALA 86 HA ALA 86 -20.272 1.094 -3.345
627 HB1 ALA 86 HB1 ALA 86 -22.514 1.882 -4.012
628 HB2 ALA 86 HB2 ALA 86 -21.924 3.546 -4.017
629 HB3 ALA 86 HB3 ALA 86 -21.990 2.635 -2.505
630 H28 SXM 87 H28A SXM 87 8.145 12.455 -0.270
631 H28A SXM 87 H28B SXM 87 7.455 11.633 -1.673
632 H30 SXM 87 H30A SXM 87 3.958 11.809 -0.544
633 H30A SXM 87 H30B SXM 87 5.073 10.470 -0.271
634 H30B SXM 87 H30C SXM 87 5.048 11.293 -1.830
635 H31 SXM 87 H31C SXM 87 6.617 13.221 1.603
636 H31A SXM 87 H31A SXM 87 5.931 11.601 1.721
637 H31B SXM 87 H31B SXM 87 4.874 12.989 1.463
638 H32 SXM 87 H32A SXM 87 4.949 14.307 -0.483
639 HO33 SXM 87 H33A SXM 87 5.940 12.989 -2.780
640 HN36 SXM 87 H36A SXM 87 6.431 15.319 -2.644
641 H37 SXM 87 H37B SXM 87 9.141 15.919 -2.000
642 H37A SXM 87 H37A SXM 87 8.112 17.252 -1.507
643 H38 SXM 87 H38A SXM 87 7.348 17.539 -3.789
644 H38A SXM 87 H38B SXM 87 9.117 17.548 -3.782
645 HN41 SXM 87 H41A SXM 87 8.222 17.220 -6.133
646 H42 SXM 87 H42A SXM 87 8.269 14.340 -6.695
647 H42A SXM 87 H42B SXM 87 7.190 15.439 -7.552
648 H43 SXM 87 H43A SXM 87 10.206 15.538 -7.589
649 H43A SXM 87 H43B SXM 87 9.106 16.541 -8.574
650 H2 SXM 87 H2A SXM 87 9.529 10.864 -8.062
651 H2A SXM 87 H2B SXM 87 9.404 11.462 -9.707
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -15.905 -3.837 -9.602
2 H2 MET 1 HT2 MET 1 -15.723 -3.736 -7.905
3 H3 MET 1 HT3 MET 1 -16.748 -4.859 -8.594
4 HA MET 1 HA MET 1 -15.172 -6.154 -9.471
5 HB2 MET 1 HB2 MET 1 -12.732 -5.641 -9.386
6 HB3 MET 1 HB1 MET 1 -13.662 -4.590 -10.438
7 HG2 MET 1 HG2 MET 1 -13.590 -2.828 -8.778
8 HG3 MET 1 HG1 MET 1 -12.737 -3.895 -7.662
9 HE1 MET 1 HE1 MET 1 -12.552 -1.992 -11.103
10 HE2 MET 1 HE2 MET 1 -12.199 -3.659 -11.557
11 HE3 MET 1 HE3 MET 1 -10.938 -2.432 -11.662
12 H ALA 2 HN ALA 2 -14.562 -4.428 -6.331
13 HA ALA 2 HA ALA 2 -14.624 -6.918 -4.977
14 HB1 ALA 2 HB1 ALA 2 -12.346 -6.929 -4.126
15 HB2 ALA 2 HB2 ALA 2 -11.952 -5.530 -5.123
16 HB3 ALA 2 HB3 ALA 2 -12.351 -7.072 -5.884
17 H THR 3 HN THR 3 -14.941 -6.656 -2.858
18 HA THR 3 HA THR 3 -15.414 -3.929 -1.933
19 HB THR 3 HB THR 3 -16.048 -6.538 -0.663
20 HG1 THR 3 HG1 THR 3 -16.982 -5.906 -2.939
21 HG21 THR 3 HG21 THR 3 -16.245 -4.607 0.817
22 HG22 THR 3 HG22 THR 3 -17.849 -5.254 0.470
23 HG23 THR 3 HG23 THR 3 -17.287 -3.799 -0.354
24 H LEU 4 HN LEU 4 -13.578 -3.094 -1.045
25 HA LEU 4 HA LEU 4 -11.770 -2.740 0.115
26 HB2 LEU 4 HB2 LEU 4 -12.862 -4.956 1.775
27 HB3 LEU 4 HB1 LEU 4 -11.378 -4.129 2.241
28 HG LEU 4 HG LEU 4 -12.829 -2.008 2.090
29 HD11 LEU 4 HD11 LEU 4 -14.777 -2.925 1.053
30 HD12 LEU 4 HD12 LEU 4 -15.192 -2.299 2.650
31 HD13 LEU 4 HD13 LEU 4 -15.016 -4.036 2.402
32 HD21 LEU 4 HD21 LEU 4 -13.242 -3.979 4.332
33 HD22 LEU 4 HD22 LEU 4 -13.571 -2.245 4.420
34 HD23 LEU 4 HD23 LEU 4 -11.921 -2.817 4.177
35 H LEU 5 HN LEU 5 -9.584 -3.454 0.741
36 HA LEU 5 HA LEU 5 -8.751 -5.429 -1.201
37 HB2 LEU 5 HB2 LEU 5 -7.268 -3.183 0.127
38 HB3 LEU 5 HB1 LEU 5 -6.436 -4.475 -0.715
39 HG LEU 5 HG LEU 5 -8.418 -2.567 -1.937
40 HD11 LEU 5 HD11 LEU 5 -6.268 -1.533 -1.372
41 HD12 LEU 5 HD12 LEU 5 -6.464 -1.703 -3.115
42 HD13 LEU 5 HD13 LEU 5 -5.424 -2.820 -2.232
43 HD21 LEU 5 HD21 LEU 5 -8.483 -4.785 -2.937
44 HD22 LEU 5 HD22 LEU 5 -6.732 -4.741 -3.151
45 HD23 LEU 5 HD23 LEU 5 -7.761 -3.607 -4.028
46 H THR 6 HN THR 6 -7.536 -7.092 -0.769
47 HA THR 6 HA THR 6 -7.525 -7.993 1.966
48 HB THR 6 HB THR 6 -6.863 -10.165 0.955
49 HG1 THR 6 HG1 THR 6 -7.479 -9.374 -1.621
50 HG21 THR 6 HG21 THR 6 -8.993 -10.586 -0.189
51 HG22 THR 6 HG22 THR 6 -9.259 -8.847 -0.327
52 HG23 THR 6 HG23 THR 6 -9.233 -9.613 1.263
53 H THR 7 HN THR 7 -5.454 -9.399 2.480
54 HA THR 7 HA THR 7 -3.236 -7.651 2.440
55 HB THR 7 HB THR 7 -3.210 -10.600 3.122
56 HG1 THR 7 HG1 THR 7 -3.841 -9.996 5.165
57 HG21 THR 7 HG21 THR 7 -1.039 -9.486 3.010
58 HG22 THR 7 HG22 THR 7 -1.439 -9.857 4.693
59 HG23 THR 7 HG23 THR 7 -1.627 -8.213 4.069
60 H ASP 8 HN ASP 8 -4.236 -10.483 0.620
61 HA ASP 8 HA ASP 8 -1.825 -11.067 -0.668
62 HB2 ASP 8 HB2 ASP 8 -3.591 -12.670 -0.750
63 HB3 ASP 8 HB1 ASP 8 -4.657 -11.536 -1.576
64 H ASP 9 HN ASP 9 -4.517 -9.051 -1.798
65 HA ASP 9 HA ASP 9 -3.306 -8.406 -4.265
66 HB2 ASP 9 HB2 ASP 9 -5.739 -8.087 -3.781
67 HB3 ASP 9 HB1 ASP 9 -5.313 -6.707 -2.771
68 H LEU 10 HN LEU 10 -3.390 -6.765 -1.178
69 HA LEU 10 HA LEU 10 -1.905 -4.488 -1.768
70 HB2 LEU 10 HB2 LEU 10 -3.082 -4.788 0.345
71 HB3 LEU 10 HB1 LEU 10 -2.022 -6.114 0.773
72 HG LEU 10 HG LEU 10 -0.124 -4.520 0.859
73 HD11 LEU 10 HD11 LEU 10 -2.265 -2.448 0.510
74 HD12 LEU 10 HD12 LEU 10 -0.974 -2.833 -0.640
75 HD13 LEU 10 HD13 LEU 10 -0.579 -2.138 0.939
76 HD21 LEU 10 HD21 LEU 10 -1.297 -5.152 2.878
77 HD22 LEU 10 HD22 LEU 10 -2.466 -3.855 2.627
78 HD23 LEU 10 HD23 LEU 10 -0.778 -3.469 2.960
79 H ARG 11 HN ARG 11 -0.814 -7.615 -0.496
80 HA ARG 11 HA ARG 11 1.917 -7.253 -0.323
81 HB2 ARG 11 HB2 ARG 11 0.807 -9.268 0.473
82 HB3 ARG 11 HB1 ARG 11 0.384 -9.707 -1.173
83 HG2 ARG 11 HG2 ARG 11 2.757 -10.006 -1.706
84 HG3 ARG 11 HG1 ARG 11 3.182 -9.554 -0.057
85 HD2 ARG 11 HD2 ARG 11 3.198 -11.992 -0.379
86 HD3 ARG 11 HD1 ARG 11 1.995 -11.490 0.807
87 HE ARG 11 HE ARG 11 0.531 -11.611 -1.427
88 HH11 ARG 11 HH11 ARG 11 2.905 -13.992 -0.218
89 HH12 ARG 11 HH12 ARG 11 1.962 -15.327 -0.703
90 HH21 ARG 11 HH21 ARG 11 -0.695 -13.477 -2.147
91 HH22 ARG 11 HH22 ARG 11 -0.111 -15.024 -1.816
92 H ARG 12 HN ARG 12 0.149 -8.542 -3.116
93 HA ARG 12 HA ARG 12 2.479 -8.791 -4.638
94 HB2 ARG 12 HB2 ARG 12 -0.420 -8.818 -5.465
95 HB3 ARG 12 HB1 ARG 12 0.893 -9.076 -6.612
96 HG2 ARG 12 HG2 ARG 12 0.500 -10.730 -4.125
97 HG3 ARG 12 HG1 ARG 12 -0.114 -11.174 -5.722
98 HD2 ARG 12 HD2 ARG 12 1.963 -11.571 -6.572
99 HD3 ARG 12 HD1 ARG 12 2.815 -10.515 -5.471
100 HE ARG 12 HE ARG 12 1.713 -13.152 -4.779
101 HH11 ARG 12 HH11 ARG 12 4.237 -10.645 -4.506
102 HH12 ARG 12 HH12 ARG 12 5.157 -11.548 -3.362
103 HH21 ARG 12 HH21 ARG 12 3.096 -14.362 -3.240
104 HH22 ARG 12 HH22 ARG 12 4.528 -13.615 -2.668
105 H ALA 13 HN ALA 13 0.137 -6.173 -4.557
106 HA ALA 13 HA ALA 13 1.339 -4.713 -6.669
107 HB1 ALA 13 HB1 ALA 13 -0.336 -3.700 -4.374
108 HB2 ALA 13 HB2 ALA 13 -0.954 -4.300 -5.912
109 HB3 ALA 13 HB3 ALA 13 0.019 -2.829 -5.866
110 H LEU 14 HN LEU 14 1.897 -4.882 -3.230
111 HA LEU 14 HA LEU 14 3.568 -2.592 -3.038
112 HB2 LEU 14 HB2 LEU 14 2.255 -3.828 -1.199
113 HB3 LEU 14 HB1 LEU 14 3.565 -4.983 -1.201
114 HG LEU 14 HG LEU 14 5.115 -3.099 -0.608
115 HD11 LEU 14 HD11 LEU 14 3.739 -1.259 -1.408
116 HD12 LEU 14 HD12 LEU 14 4.131 -1.064 0.300
117 HD13 LEU 14 HD13 LEU 14 2.525 -1.619 -0.179
118 HD21 LEU 14 HD21 LEU 14 4.434 -3.034 1.734
119 HD22 LEU 14 HD22 LEU 14 4.283 -4.658 1.066
120 HD23 LEU 14 HD23 LEU 14 2.846 -3.662 1.295
121 H VAL 15 HN VAL 15 4.145 -6.083 -3.210
122 HA VAL 15 HA VAL 15 6.959 -6.040 -3.056
123 HB VAL 15 HB VAL 15 5.177 -8.133 -4.349
124 HG11 VAL 15 HG11 VAL 15 8.046 -8.334 -3.454
125 HG12 VAL 15 HG12 VAL 15 7.469 -8.344 -5.121
126 HG13 VAL 15 HG13 VAL 15 7.053 -9.669 -4.038
127 HG21 VAL 15 HG21 VAL 15 6.374 -8.017 -1.586
128 HG22 VAL 15 HG22 VAL 15 5.452 -9.363 -2.254
129 HG23 VAL 15 HG23 VAL 15 4.673 -7.799 -1.989
130 H GLU 16 HN GLU 16 4.802 -6.125 -5.914
131 HA GLU 16 HA GLU 16 6.911 -6.333 -7.757
132 HB2 GLU 16 HB2 GLU 16 5.308 -5.759 -9.497
133 HB3 GLU 16 HB1 GLU 16 4.610 -6.916 -8.378
134 HG2 GLU 16 HG2 GLU 16 3.333 -5.138 -7.317
135 HG3 GLU 16 HG1 GLU 16 4.073 -3.955 -8.397
136 H SER 17 HN SER 17 5.404 -3.546 -6.278
137 HA SER 17 HA SER 17 6.676 -1.712 -8.079
138 HB2 SER 17 HB2 SER 17 4.383 -1.398 -7.090
139 HB3 SER 17 HB1 SER 17 5.152 -1.140 -5.535
140 HG SER 17 HG SER 17 5.080 0.470 -7.799
141 H ALA 18 HN ALA 18 7.595 -3.344 -5.256
142 HA ALA 18 HA ALA 18 9.236 -1.423 -3.968
143 HB1 ALA 18 HB1 ALA 18 9.512 -4.427 -3.968
144 HB2 ALA 18 HB2 ALA 18 8.495 -3.490 -2.876
145 HB3 ALA 18 HB3 ALA 18 10.249 -3.318 -2.815
146 H GLY 19 HN GLY 19 9.629 -3.041 -6.887
147 HA2 GLY 19 HA2 GLY 19 12.166 -1.904 -7.369
148 HA3 GLY 19 HA1 GLY 19 12.285 -3.644 -7.111
149 H GLU 20 HN GLU 20 12.536 -4.505 -9.014
150 HA GLU 20 HA GLU 20 10.685 -3.675 -11.126
151 HB2 GLU 20 HB2 GLU 20 12.996 -3.294 -11.764
152 HB3 GLU 20 HB1 GLU 20 13.412 -4.951 -11.351
153 HG2 GLU 20 HG2 GLU 20 13.210 -4.511 -13.794
154 HG3 GLU 20 HG1 GLU 20 12.176 -5.806 -13.197
155 H THR 21 HN THR 21 8.998 -4.914 -10.550
156 HA THR 21 HA THR 21 7.618 -6.703 -10.516
157 HB THR 21 HB THR 21 9.698 -8.020 -12.277
158 HG1 THR 21 HG1 THR 21 9.124 -5.980 -13.194
159 HG21 THR 21 HG21 THR 21 6.692 -8.370 -12.084
160 HG22 THR 21 HG22 THR 21 7.899 -9.516 -11.506
161 HG23 THR 21 HG23 THR 21 7.745 -9.196 -13.231
162 H ASP 22 HN ASP 22 7.934 -7.013 -8.375
163 HA ASP 22 HA ASP 22 8.241 -8.136 -6.462
164 HB2 ASP 22 HB2 ASP 22 9.439 -10.354 -8.167
165 HB3 ASP 22 HB1 ASP 22 9.301 -10.453 -6.420
166 H GLY 23 HN GLY 23 9.490 -6.378 -6.006
167 HA2 GLY 23 HA2 GLY 23 12.359 -6.607 -6.363
168 HA3 GLY 23 HA1 GLY 23 11.503 -5.254 -5.637
169 H THR 24 HN THR 24 10.040 -6.619 -3.706
170 HA THR 24 HA THR 24 11.911 -8.071 -2.032
171 HB THR 24 HB THR 24 10.614 -5.460 -1.145
172 HG1 THR 24 HG1 THR 24 12.948 -5.966 -2.431
173 HG21 THR 24 HG21 THR 24 12.637 -7.254 0.226
174 HG22 THR 24 HG22 THR 24 10.932 -7.114 0.657
175 HG23 THR 24 HG23 THR 24 12.008 -5.732 0.865
176 H ASP 25 HN ASP 25 10.480 -9.816 -1.881
177 HA ASP 25 HA ASP 25 7.652 -9.397 -1.626
178 HB2 ASP 25 HB2 ASP 25 8.639 -11.481 -2.639
179 HB3 ASP 25 HB1 ASP 25 9.177 -11.949 -1.029
180 H LEU 26 HN LEU 26 6.505 -9.066 0.138
181 HA LEU 26 HA LEU 26 8.003 -8.806 2.612
182 HB2 LEU 26 HB2 LEU 26 5.253 -7.798 1.919
183 HB3 LEU 26 HB1 LEU 26 6.060 -7.529 3.443
184 HG LEU 26 HG LEU 26 6.384 -5.548 2.400
185 HD11 LEU 26 HD11 LEU 26 8.704 -5.407 1.633
186 HD12 LEU 26 HD12 LEU 26 8.724 -7.189 1.627
187 HD13 LEU 26 HD13 LEU 26 8.476 -6.316 3.140
188 HD21 LEU 26 HD21 LEU 26 5.401 -6.095 0.252
189 HD22 LEU 26 HD22 LEU 26 6.863 -6.965 -0.216
190 HD23 LEU 26 HD23 LEU 26 6.913 -5.220 0.029
191 H SER 27 HN SER 27 6.500 -11.304 1.381
192 HA SER 27 HA SER 27 5.514 -13.148 2.098
193 HB2 SER 27 HB2 SER 27 6.338 -12.193 4.852
194 HB3 SER 27 HB1 SER 27 5.922 -13.847 4.375
195 HG SER 27 HG SER 27 7.654 -13.538 2.747
196 H GLY 28 HN GLY 28 3.940 -13.695 4.475
197 HA2 GLY 28 HA2 GLY 28 1.478 -12.623 3.522
198 HA3 GLY 28 HA1 GLY 28 1.698 -13.696 4.894
199 H ASP 29 HN ASP 29 2.980 -12.405 6.762
200 HA ASP 29 HA ASP 29 1.243 -10.089 7.178
201 HB2 ASP 29 HB2 ASP 29 1.012 -11.746 8.946
202 HB3 ASP 29 HB1 ASP 29 2.748 -11.713 9.242
203 H PHE 30 HN PHE 30 2.173 -8.513 6.292
204 HA PHE 30 HA PHE 30 4.842 -7.707 7.263
205 HB2 PHE 30 HB2 PHE 30 5.067 -6.497 5.099
206 HB3 PHE 30 HB1 PHE 30 4.986 -8.246 4.931
207 HD1 PHE 30 HD2 PHE 30 3.057 -9.301 3.915
208 HD2 PHE 30 HD1 PHE 30 3.277 -5.082 4.283
209 HE1 PHE 30 HE2 PHE 30 1.207 -9.077 2.342
210 HE2 PHE 30 HE1 PHE 30 1.421 -4.845 2.694
211 HZ PHE 30 HZ PHE 30 0.379 -6.843 1.720
212 H LEU 31 HN LEU 31 1.781 -7.155 7.765
213 HA LEU 31 HA LEU 31 1.382 -4.410 7.129
214 HB2 LEU 31 HB2 LEU 31 -0.080 -6.167 9.108
215 HB3 LEU 31 HB1 LEU 31 -0.575 -4.556 8.659
216 HG LEU 31 HG LEU 31 -1.993 -6.025 7.529
217 HD11 LEU 31 HD11 LEU 31 -1.323 -4.198 6.176
218 HD12 LEU 31 HD12 LEU 31 -1.579 -5.627 5.173
219 HD13 LEU 31 HD13 LEU 31 0.060 -5.105 5.565
220 HD21 LEU 31 HD21 LEU 31 0.396 -7.546 6.480
221 HD22 LEU 31 HD22 LEU 31 -1.294 -7.879 6.107
222 HD23 LEU 31 HD23 LEU 31 -0.695 -8.092 7.752
223 H ASP 32 HN ASP 32 2.922 -6.044 9.635
224 HA ASP 32 HA ASP 32 2.694 -3.907 11.593
225 HB2 ASP 32 HB2 ASP 32 2.511 -6.391 12.093
226 HB3 ASP 32 HB1 ASP 32 4.238 -6.490 11.795
227 H LEU 33 HN LEU 33 4.664 -4.579 8.991
228 HA LEU 33 HA LEU 33 7.182 -3.748 10.208
229 HB2 LEU 33 HB2 LEU 33 6.523 -4.526 7.363
230 HB3 LEU 33 HB1 LEU 33 8.124 -4.158 7.963
231 HG LEU 33 HG LEU 33 6.431 -6.500 8.841
232 HD11 LEU 33 HD11 LEU 33 8.855 -6.374 7.054
233 HD12 LEU 33 HD12 LEU 33 7.206 -6.730 6.544
234 HD13 LEU 33 HD13 LEU 33 8.060 -7.844 7.613
235 HD21 LEU 33 HD21 LEU 33 8.472 -7.255 9.972
236 HD22 LEU 33 HD22 LEU 33 7.925 -5.707 10.610
237 HD23 LEU 33 HD23 LEU 33 9.289 -5.768 9.494
238 H ARG 34 HN ARG 34 8.355 -1.950 9.362
239 HA ARG 34 HA ARG 34 6.594 0.249 8.520
240 HB2 ARG 34 HB2 ARG 34 9.489 0.355 9.335
241 HB3 ARG 34 HB1 ARG 34 8.393 1.712 9.148
242 HG2 ARG 34 HG2 ARG 34 7.118 0.971 11.058
243 HG3 ARG 34 HG1 ARG 34 8.162 -0.448 11.218
244 HD2 ARG 34 HD2 ARG 34 10.096 1.109 11.442
245 HD3 ARG 34 HD1 ARG 34 8.940 2.439 11.503
246 HE ARG 34 HE ARG 34 8.414 0.371 13.388
247 HH11 ARG 34 HH11 ARG 34 10.235 3.360 12.827
248 HH12 ARG 34 HH12 ARG 34 10.491 3.683 14.474
249 HH21 ARG 34 HH21 ARG 34 8.801 0.791 15.662
250 HH22 ARG 34 HH22 ARG 34 9.739 2.129 16.130
251 H PHE 35 HN PHE 35 7.118 1.555 6.750
252 HA PHE 35 HA PHE 35 8.307 0.221 4.545
253 HB2 PHE 35 HB2 PHE 35 7.418 3.097 4.851
254 HB3 PHE 35 HB1 PHE 35 8.015 2.412 3.344
255 HD1 PHE 35 HD2 PHE 35 6.774 0.032 2.813
256 HD2 PHE 35 HD1 PHE 35 5.157 3.289 5.005
257 HE1 PHE 35 HE2 PHE 35 4.503 -0.751 2.289
258 HE2 PHE 35 HE1 PHE 35 2.883 2.512 4.494
259 HZ PHE 35 HZ PHE 35 2.569 0.500 3.057
260 H GLU 36 HN GLU 36 9.473 2.563 6.855
261 HA GLU 36 HA GLU 36 11.882 3.229 5.575
262 HB2 GLU 36 HB2 GLU 36 12.721 3.912 7.812
263 HB3 GLU 36 HB1 GLU 36 11.123 4.546 7.473
264 HG2 GLU 36 HG2 GLU 36 10.130 2.828 8.901
265 HG3 GLU 36 HG1 GLU 36 11.730 2.156 9.207
266 H ASP 37 HN ASP 37 10.957 0.366 7.237
267 HA ASP 37 HA ASP 37 13.648 -0.621 7.613
268 HB2 ASP 37 HB2 ASP 37 10.942 -1.889 7.938
269 HB3 ASP 37 HB1 ASP 37 12.412 -2.845 7.997
270 H ILE 38 HN ILE 38 10.968 -1.245 5.444
271 HA ILE 38 HA ILE 38 12.545 -3.207 4.050
272 HB ILE 38 HB ILE 38 10.476 -3.577 2.663
273 HG12 ILE 38 HG12 ILE 38 9.285 -1.664 4.702
274 HG13 ILE 38 HG11 ILE 38 9.428 -1.372 2.976
275 HG21 ILE 38 HG21 ILE 38 11.062 -4.986 4.540
276 HG22 ILE 38 HG22 ILE 38 9.310 -4.753 4.489
277 HG23 ILE 38 HG23 ILE 38 10.292 -3.857 5.654
278 HD11 ILE 38 HD11 ILE 38 7.719 -3.488 4.273
279 HD12 ILE 38 HD12 ILE 38 7.853 -3.193 2.539
280 HD13 ILE 38 HD13 ILE 38 7.152 -1.963 3.591
281 H GLY 39 HN GLY 39 13.209 -0.368 3.888
282 HA2 GLY 39 HA2 GLY 39 14.224 1.025 2.359
283 HA3 GLY 39 HA1 GLY 39 14.296 -0.378 1.313
284 H TYR 40 HN TYR 40 11.407 1.337 2.483
285 HA TYR 40 HA TYR 40 10.669 1.644 -0.292
286 HB2 TYR 40 HB2 TYR 40 9.119 1.513 2.220
287 HB3 TYR 40 HB1 TYR 40 8.460 2.467 0.901
288 HD1 TYR 40 HD1 TYR 40 10.285 -0.798 1.038
289 HD2 TYR 40 HD2 TYR 40 6.773 1.291 -0.127
290 HE1 TYR 40 HE1 TYR 40 9.370 -2.866 0.053
291 HE2 TYR 40 HE2 TYR 40 5.870 -0.751 -1.127
292 HH TYR 40 HH TYR 40 7.184 -3.828 -0.606
293 H ASP 41 HN ASP 41 11.664 3.338 -1.060
294 HA ASP 41 HA ASP 41 11.414 5.935 0.149
295 HB2 ASP 41 HB2 ASP 41 13.195 5.460 -1.542
296 HB3 ASP 41 HB1 ASP 41 11.950 5.180 -2.755
297 H SER 42 HN SER 42 9.896 7.554 -0.582
298 HA SER 42 HA SER 42 7.309 6.682 -0.811
299 HB2 SER 42 HB2 SER 42 6.954 9.086 -1.596
300 HB3 SER 42 HB1 SER 42 7.640 8.830 0.016
301 H LEU 43 HN LEU 43 9.655 7.309 -3.366
302 HA LEU 43 HA LEU 43 8.055 7.586 -5.616
303 HB2 LEU 43 HB2 LEU 43 10.605 7.558 -5.448
304 HB3 LEU 43 HB1 LEU 43 10.515 5.821 -5.431
305 HG LEU 43 HG LEU 43 9.700 7.593 -7.757
306 HD11 LEU 43 HD11 LEU 43 12.079 7.666 -7.342
307 HD12 LEU 43 HD12 LEU 43 11.733 6.763 -8.815
308 HD13 LEU 43 HD13 LEU 43 12.150 5.904 -7.334
309 HD21 LEU 43 HD21 LEU 43 10.035 4.584 -7.641
310 HD22 LEU 43 HD22 LEU 43 9.673 5.532 -9.089
311 HD23 LEU 43 HD23 LEU 43 8.499 5.440 -7.777
312 H ALA 44 HN ALA 44 9.217 4.555 -4.184
313 HA ALA 44 HA ALA 44 7.682 2.867 -5.888
314 HB1 ALA 44 HB1 ALA 44 9.766 2.113 -4.830
315 HB2 ALA 44 HB2 ALA 44 8.418 1.047 -4.441
316 HB3 ALA 44 HB3 ALA 44 8.993 2.211 -3.245
317 H LEU 45 HN LEU 45 7.228 4.216 -2.717
318 HA LEU 45 HA LEU 45 5.004 2.667 -1.944
319 HB2 LEU 45 HB2 LEU 45 6.398 3.923 -0.374
320 HB3 LEU 45 HB1 LEU 45 5.835 5.428 -1.062
321 HG LEU 45 HG LEU 45 3.583 4.999 -0.211
322 HD11 LEU 45 HD11 LEU 45 4.789 2.484 0.939
323 HD12 LEU 45 HD12 LEU 45 3.609 2.560 -0.369
324 HD13 LEU 45 HD13 LEU 45 3.163 3.089 1.252
325 HD21 LEU 45 HD21 LEU 45 5.190 6.170 1.207
326 HD22 LEU 45 HD22 LEU 45 5.727 4.629 1.882
327 HD23 LEU 45 HD23 LEU 45 4.079 5.193 2.165
328 H MET 46 HN MET 46 5.226 5.815 -3.521
329 HA MET 46 HA MET 46 2.421 6.332 -3.678
330 HB2 MET 46 HB2 MET 46 4.647 7.364 -5.440
331 HB3 MET 46 HB1 MET 46 3.023 8.021 -5.350
332 HG2 MET 46 HG2 MET 46 4.990 7.940 -3.103
333 HG3 MET 46 HG1 MET 46 4.717 9.314 -4.161
334 HE1 MET 46 HE1 MET 46 4.357 10.798 -1.988
335 HE2 MET 46 HE2 MET 46 4.617 9.385 -0.966
336 HE3 MET 46 HE3 MET 46 3.207 10.408 -0.709
337 H GLU 47 HN GLU 47 4.780 4.819 -5.725
338 HA GLU 47 HA GLU 47 3.246 4.516 -8.058
339 HB2 GLU 47 HB2 GLU 47 5.749 4.279 -7.448
340 HB3 GLU 47 HB1 GLU 47 5.366 2.594 -7.140
341 HG2 GLU 47 HG2 GLU 47 5.058 4.049 -9.770
342 HG3 GLU 47 HG1 GLU 47 6.329 2.911 -9.365
343 H THR 48 HN THR 48 3.750 2.492 -5.204
344 HA THR 48 HA THR 48 2.098 0.317 -5.892
345 HB THR 48 HB THR 48 2.675 1.456 -3.128
346 HG1 THR 48 HG1 THR 48 4.569 0.798 -4.474
347 HG21 THR 48 HG21 THR 48 2.209 -0.822 -2.339
348 HG22 THR 48 HG22 THR 48 1.819 -1.316 -3.987
349 HG23 THR 48 HG23 THR 48 0.803 -0.136 -3.156
350 H ALA 49 HN ALA 49 1.449 3.137 -3.779
351 HA ALA 49 HA ALA 49 -1.196 2.691 -3.180
352 HB1 ALA 49 HB1 ALA 49 0.211 4.368 -2.075
353 HB2 ALA 49 HB2 ALA 49 -1.328 5.049 -2.600
354 HB3 ALA 49 HB3 ALA 49 0.140 5.372 -3.523
355 H ALA 50 HN ALA 50 0.030 4.765 -5.813
356 HA ALA 50 HA ALA 50 -2.384 5.664 -6.824
357 HB1 ALA 50 HB1 ALA 50 -0.196 6.543 -7.505
358 HB2 ALA 50 HB2 ALA 50 -1.205 6.142 -8.895
359 HB3 ALA 50 HB3 ALA 50 0.110 5.065 -8.417
360 H ARG 51 HN ARG 51 -0.695 2.695 -7.561
361 HA ARG 51 HA ARG 51 -2.277 1.771 -9.693
362 HB2 ARG 51 HB2 ARG 51 -0.212 0.708 -9.329
363 HB3 ARG 51 HB1 ARG 51 -0.553 0.425 -7.636
364 HG2 ARG 51 HG2 ARG 51 -2.139 -1.310 -8.216
365 HG3 ARG 51 HG1 ARG 51 -1.920 -0.968 -9.933
366 HD2 ARG 51 HD2 ARG 51 0.345 -1.771 -8.118
367 HD3 ARG 51 HD1 ARG 51 -0.619 -2.937 -9.022
368 HE ARG 51 HE ARG 51 0.193 -2.054 -11.025
369 HH11 ARG 51 HH11 ARG 51 1.929 -0.698 -8.222
370 HH12 ARG 51 HH12 ARG 51 3.221 -0.101 -9.176
371 HH21 ARG 51 HH21 ARG 51 1.928 -1.317 -12.229
372 HH22 ARG 51 HH22 ARG 51 3.242 -0.477 -11.532
373 H LEU 52 HN LEU 52 -2.525 1.202 -6.223
374 HA LEU 52 HA LEU 52 -4.804 -0.498 -6.421
375 HB2 LEU 52 HB2 LEU 52 -3.663 1.000 -4.072
376 HB3 LEU 52 HB1 LEU 52 -4.935 -0.202 -3.963
377 HG LEU 52 HG LEU 52 -2.108 -0.700 -4.881
378 HD11 LEU 52 HD11 LEU 52 -1.904 -1.989 -2.819
379 HD12 LEU 52 HD12 LEU 52 -3.536 -1.504 -2.353
380 HD13 LEU 52 HD13 LEU 52 -2.259 -0.292 -2.491
381 HD21 LEU 52 HD21 LEU 52 -3.664 -2.148 -6.046
382 HD22 LEU 52 HD22 LEU 52 -4.441 -2.584 -4.535
383 HD23 LEU 52 HD23 LEU 52 -2.772 -3.081 -4.841
384 H GLU 53 HN GLU 53 -4.313 2.888 -5.644
385 HA GLU 53 HA GLU 53 -6.930 3.538 -5.015
386 HB2 GLU 53 HB2 GLU 53 -4.892 5.301 -6.341
387 HB3 GLU 53 HB1 GLU 53 -6.390 5.793 -5.578
388 HG2 GLU 53 HG2 GLU 53 -5.597 5.141 -3.432
389 HG3 GLU 53 HG1 GLU 53 -4.099 4.519 -4.143
390 H SER 54 HN SER 54 -5.212 3.765 -8.109
391 HA SER 54 HA SER 54 -7.381 4.939 -9.452
392 HB2 SER 54 HB2 SER 54 -4.929 5.140 -10.055
393 HB3 SER 54 HB1 SER 54 -5.040 3.515 -10.725
394 HG SER 54 HG SER 54 -6.607 5.749 -11.476
395 H ARG 55 HN ARG 55 -6.393 1.588 -8.977
396 HA ARG 55 HA ARG 55 -7.962 0.465 -11.033
397 HB2 ARG 55 HB2 ARG 55 -6.187 -0.789 -9.791
398 HB3 ARG 55 HB1 ARG 55 -7.244 -0.832 -8.387
399 HG2 ARG 55 HG2 ARG 55 -8.938 -2.010 -9.883
400 HG3 ARG 55 HG1 ARG 55 -7.623 -2.195 -11.040
401 HD2 ARG 55 HD2 ARG 55 -7.645 -3.224 -8.203
402 HD3 ARG 55 HD1 ARG 55 -7.936 -4.188 -9.643
403 HE ARG 55 HE ARG 55 -5.569 -3.416 -10.247
404 HH11 ARG 55 HH11 ARG 55 -6.677 -4.038 -6.921
405 HH12 ARG 55 HH12 ARG 55 -5.232 -4.675 -6.350
406 HH21 ARG 55 HH21 ARG 55 -3.513 -4.347 -9.505
407 HH22 ARG 55 HH22 ARG 55 -3.342 -4.851 -7.893
408 H TYR 56 HN TYR 56 -8.715 1.340 -7.713
409 HA TYR 56 HA TYR 56 -11.421 0.252 -8.053
410 HB2 TYR 56 HB2 TYR 56 -9.919 1.015 -5.555
411 HB3 TYR 56 HB1 TYR 56 -11.607 0.505 -5.572
412 HD1 TYR 56 HD2 TYR 56 -8.143 -0.568 -6.174
413 HD2 TYR 56 HD1 TYR 56 -12.196 -1.790 -5.870
414 HE1 TYR 56 HE2 TYR 56 -7.419 -2.910 -6.026
415 HE2 TYR 56 HE1 TYR 56 -11.498 -4.125 -5.727
416 HH TYR 56 HH TYR 56 -8.189 -5.036 -5.260
417 H GLY 57 HN GLY 57 -9.801 3.232 -7.893
418 HA2 GLY 57 HA2 GLY 57 -10.753 5.279 -8.448
419 HA3 GLY 57 HA1 GLY 57 -12.350 4.593 -8.173
420 H VAL 58 HN VAL 58 -9.512 4.737 -6.063
421 HA VAL 58 HA VAL 58 -11.145 6.312 -4.216
422 HB VAL 58 HB VAL 58 -9.965 5.391 -2.281
423 HG11 VAL 58 HG11 VAL 58 -10.750 3.099 -2.341
424 HG12 VAL 58 HG12 VAL 58 -10.902 3.212 -4.093
425 HG13 VAL 58 HG13 VAL 58 -11.939 4.204 -3.055
426 HG21 VAL 58 HG21 VAL 58 -8.360 3.586 -2.443
427 HG22 VAL 58 HG22 VAL 58 -7.781 4.971 -3.381
428 HG23 VAL 58 HG23 VAL 58 -8.534 3.586 -4.193
429 H SER 59 HN SER 59 -9.484 7.492 -2.523
430 HA SER 59 HA SER 59 -7.281 8.560 -4.084
431 HB2 SER 59 HB2 SER 59 -9.539 10.306 -3.084
432 HB3 SER 59 HB1 SER 59 -8.074 10.862 -3.894
433 HG SER 59 HG SER 59 -8.965 9.093 -5.478
434 H ILE 60 HN ILE 60 -5.695 8.237 -2.688
435 HA ILE 60 HA ILE 60 -5.921 9.222 0.083
436 HB ILE 60 HB ILE 60 -4.002 7.181 -1.138
437 HG12 ILE 60 HG12 ILE 60 -6.166 6.864 0.957
438 HG13 ILE 60 HG11 ILE 60 -6.276 6.349 -0.720
439 HG21 ILE 60 HG21 ILE 60 -2.802 8.522 0.561
440 HG22 ILE 60 HG22 ILE 60 -3.004 6.881 1.121
441 HG23 ILE 60 HG23 ILE 60 -4.049 8.152 1.747
442 HD11 ILE 60 HD11 ILE 60 -4.484 4.744 -0.338
443 HD12 ILE 60 HD12 ILE 60 -5.853 4.500 0.751
444 HD13 ILE 60 HD13 ILE 60 -4.378 5.268 1.347
445 HA PRO 61 HA PRO 61 -3.646 12.691 -1.756
446 HB2 PRO 61 HB2 PRO 61 -3.291 13.228 1.165
447 HB3 PRO 61 HB1 PRO 61 -3.803 14.324 -0.127
448 HG2 PRO 61 HG2 PRO 61 -5.588 13.350 1.575
449 HG3 PRO 61 HG1 PRO 61 -5.973 13.503 -0.149
450 HD2 PRO 61 HD2 PRO 61 -5.291 11.069 1.433
451 HD3 PRO 61 HD1 PRO 61 -6.440 11.262 0.093
452 H ASP 62 HN ASP 62 -1.527 12.892 -2.217
453 HA ASP 62 HA ASP 62 0.334 10.936 -1.526
454 HB2 ASP 62 HB2 ASP 62 2.074 12.274 -2.600
455 HB3 ASP 62 HB1 ASP 62 0.602 12.320 -3.551
456 H ASP 63 HN ASP 63 -0.298 13.970 0.070
457 HA ASP 63 HA ASP 63 1.944 14.074 1.773
458 HB2 ASP 63 HB2 ASP 63 0.359 15.940 1.560
459 HB3 ASP 63 HB1 ASP 63 -0.901 14.970 2.311
460 H VAL 64 HN VAL 64 -1.051 12.314 1.969
461 HA VAL 64 HA VAL 64 -0.533 11.287 4.639
462 HB VAL 64 HB VAL 64 -2.761 10.578 2.699
463 HG11 VAL 64 HG11 VAL 64 -3.958 9.777 4.683
464 HG12 VAL 64 HG12 VAL 64 -2.547 10.138 5.677
465 HG13 VAL 64 HG13 VAL 64 -2.452 8.895 4.428
466 HG21 VAL 64 HG21 VAL 64 -2.818 12.947 3.217
467 HG22 VAL 64 HG22 VAL 64 -2.752 12.587 4.943
468 HG23 VAL 64 HG23 VAL 64 -4.162 12.114 3.996
469 H ALA 65 HN ALA 65 -0.539 10.225 1.297
470 HA ALA 65 HA ALA 65 -0.064 7.496 1.691
471 HB1 ALA 65 HB1 ALA 65 0.706 7.457 -0.621
472 HB2 ALA 65 HB2 ALA 65 0.857 9.208 -0.613
473 HB3 ALA 65 HB3 ALA 65 -0.741 8.460 -0.472
474 H GLY 66 HN GLY 66 2.119 10.248 1.642
475 HA2 GLY 66 HA2 GLY 66 4.409 8.487 1.975
476 HA3 GLY 66 HA1 GLY 66 4.458 10.239 1.841
477 H ARG 67 HN ARG 67 2.066 9.358 3.948
478 HA ARG 67 HA ARG 67 3.772 9.938 6.266
479 HB2 ARG 67 HB2 ARG 67 1.911 11.511 5.816
480 HB3 ARG 67 HB1 ARG 67 0.771 10.189 5.958
481 HG2 ARG 67 HG2 ARG 67 0.779 11.542 7.956
482 HG3 ARG 67 HG1 ARG 67 1.383 9.923 8.310
483 HD2 ARG 67 HD2 ARG 67 3.677 10.760 8.231
484 HD3 ARG 67 HD1 ARG 67 3.077 12.377 7.854
485 HE ARG 67 HE ARG 67 1.797 11.756 10.135
486 HH11 ARG 67 HH11 ARG 67 5.256 11.764 9.271
487 HH12 ARG 67 HH12 ARG 67 5.762 12.118 10.863
488 HH21 ARG 67 HH21 ARG 67 2.544 12.256 12.283
489 HH22 ARG 67 HH22 ARG 67 4.208 12.427 12.610
490 H VAL 68 HN VAL 68 1.657 7.568 4.856
491 HA VAL 68 HA VAL 68 1.170 6.031 7.153
492 HB VAL 68 HB VAL 68 0.684 4.116 5.553
493 HG11 VAL 68 HG11 VAL 68 -0.643 6.758 5.017
494 HG12 VAL 68 HG12 VAL 68 -1.040 5.618 6.303
495 HG13 VAL 68 HG13 VAL 68 -1.314 5.176 4.617
496 HG21 VAL 68 HG21 VAL 68 1.336 6.200 3.444
497 HG22 VAL 68 HG22 VAL 68 0.434 4.757 3.129
498 HG23 VAL 68 HG23 VAL 68 2.130 4.626 3.626
499 H ASP 69 HN ASP 69 2.432 4.830 8.334
500 HA ASP 69 HA ASP 69 5.213 4.526 7.542
501 HB2 ASP 69 HB2 ASP 69 3.821 4.045 10.176
502 HB3 ASP 69 HB1 ASP 69 5.533 3.772 9.902
503 H THR 70 HN THR 70 2.474 2.588 8.454
504 HA THR 70 HA THR 70 4.006 0.193 7.716
505 HB THR 70 HB THR 70 2.333 -1.069 9.097
506 HG1 THR 70 HG1 THR 70 1.483 1.582 9.694
507 HG21 THR 70 HG21 THR 70 3.202 -0.384 11.288
508 HG22 THR 70 HG22 THR 70 3.783 1.125 10.580
509 HG23 THR 70 HG23 THR 70 4.489 -0.415 10.077
510 HA PRO 71 HA PRO 71 1.287 -0.456 4.239
511 HB2 PRO 71 HB2 PRO 71 1.246 -3.317 5.048
512 HB3 PRO 71 HB1 PRO 71 1.718 -2.598 3.502
513 HG2 PRO 71 HG2 PRO 71 3.567 -3.547 5.156
514 HG3 PRO 71 HG1 PRO 71 3.842 -2.038 4.262
515 HD2 PRO 71 HD2 PRO 71 3.064 -2.440 7.121
516 HD3 PRO 71 HD1 PRO 71 4.224 -1.292 6.420
517 H ARG 72 HN ARG 72 0.575 -1.699 7.379
518 HA ARG 72 HA ARG 72 -2.080 -2.546 7.138
519 HB2 ARG 72 HB2 ARG 72 -0.681 -2.892 9.137
520 HB3 ARG 72 HB1 ARG 72 -0.709 -1.168 9.456
521 HG2 ARG 72 HG2 ARG 72 -3.164 -1.313 9.756
522 HG3 ARG 72 HG1 ARG 72 -3.048 -3.064 9.559
523 HD2 ARG 72 HD2 ARG 72 -1.661 -1.425 11.677
524 HD3 ARG 72 HD1 ARG 72 -3.100 -2.408 11.920
525 HE ARG 72 HE ARG 72 -1.692 -4.342 11.285
526 HH11 ARG 72 HH11 ARG 72 -0.053 -1.418 12.491
527 HH12 ARG 72 HH12 ARG 72 1.210 -2.258 13.268
528 HH21 ARG 72 HH21 ARG 72 0.077 -5.503 12.363
529 HH22 ARG 72 HH22 ARG 72 1.268 -4.631 13.219
530 H GLU 73 HN GLU 73 -0.685 0.623 7.858
531 HA GLU 73 HA GLU 73 -3.105 2.009 8.209
532 HB2 GLU 73 HB2 GLU 73 -0.357 2.978 7.457
533 HB3 GLU 73 HB1 GLU 73 -1.683 4.031 7.919
534 HG2 GLU 73 HG2 GLU 73 -1.737 3.152 10.109
535 HG3 GLU 73 HG1 GLU 73 -0.637 1.843 9.675
536 H LEU 74 HN LEU 74 -1.041 1.523 5.389
537 HA LEU 74 HA LEU 74 -2.403 3.272 3.607
538 HB2 LEU 74 HB2 LEU 74 -0.085 1.964 3.368
539 HB3 LEU 74 HB1 LEU 74 -1.128 0.728 2.690
540 HG LEU 74 HG LEU 74 -0.879 3.499 1.520
541 HD11 LEU 74 HD11 LEU 74 0.496 2.443 -0.199
542 HD12 LEU 74 HD12 LEU 74 0.455 0.930 0.708
543 HD13 LEU 74 HD13 LEU 74 1.243 2.350 1.396
544 HD21 LEU 74 HD21 LEU 74 -1.914 2.483 -0.463
545 HD22 LEU 74 HD22 LEU 74 -2.975 2.342 0.938
546 HD23 LEU 74 HD23 LEU 74 -2.048 0.947 0.389
547 H LEU 75 HN LEU 75 -2.673 -0.203 4.265
548 HA LEU 75 HA LEU 75 -4.727 -0.717 2.425
549 HB2 LEU 75 HB2 LEU 75 -3.268 -2.451 3.391
550 HB3 LEU 75 HB1 LEU 75 -4.014 -2.199 4.955
551 HG LEU 75 HG LEU 75 -6.172 -2.997 4.043
552 HD11 LEU 75 HD11 LEU 75 -5.854 -2.318 1.748
553 HD12 LEU 75 HD12 LEU 75 -6.253 -4.028 1.864
554 HD13 LEU 75 HD13 LEU 75 -4.587 -3.532 1.551
555 HD21 LEU 75 HD21 LEU 75 -4.644 -4.580 5.122
556 HD22 LEU 75 HD22 LEU 75 -3.861 -4.880 3.569
557 HD23 LEU 75 HD23 LEU 75 -5.547 -5.346 3.815
558 H ASP 76 HN ASP 76 -4.683 0.283 5.760
559 HA ASP 76 HA ASP 76 -7.401 -0.146 6.381
560 HB2 ASP 76 HB2 ASP 76 -5.669 0.149 8.089
561 HB3 ASP 76 HB1 ASP 76 -5.431 1.808 7.562
562 H LEU 77 HN LEU 77 -5.608 2.615 5.183
563 HA LEU 77 HA LEU 77 -7.696 4.479 5.135
564 HB2 LEU 77 HB2 LEU 77 -5.300 4.204 3.335
565 HB3 LEU 77 HB1 LEU 77 -6.369 5.583 3.337
566 HG LEU 77 HG LEU 77 -4.521 4.727 5.583
567 HD11 LEU 77 HD11 LEU 77 -3.390 5.741 3.710
568 HD12 LEU 77 HD12 LEU 77 -3.393 6.808 5.105
569 HD13 LEU 77 HD13 LEU 77 -4.501 7.107 3.764
570 HD21 LEU 77 HD21 LEU 77 -6.619 5.656 6.476
571 HD22 LEU 77 HD22 LEU 77 -6.427 7.072 5.444
572 HD23 LEU 77 HD23 LEU 77 -5.262 6.753 6.729
573 H ILE 78 HN ILE 78 -6.670 2.043 2.817
574 HA ILE 78 HA ILE 78 -8.659 2.817 0.917
575 HB ILE 78 HB ILE 78 -6.858 0.372 0.976
576 HG12 ILE 78 HG12 ILE 78 -6.831 2.919 -0.641
577 HG13 ILE 78 HG11 ILE 78 -5.662 2.422 0.571
578 HG21 ILE 78 HG21 ILE 78 -8.926 -0.176 -0.208
579 HG22 ILE 78 HG22 ILE 78 -7.571 -0.053 -1.329
580 HG23 ILE 78 HG23 ILE 78 -8.742 1.261 -1.212
581 HD11 ILE 78 HD11 ILE 78 -4.872 2.166 -1.750
582 HD12 ILE 78 HD12 ILE 78 -6.180 0.994 -2.001
583 HD13 ILE 78 HD13 ILE 78 -4.888 0.649 -0.831
584 H ASN 79 HN ASN 79 -8.436 0.464 3.475
585 HA ASN 79 HA ASN 79 -10.754 -1.016 2.912
586 HB2 ASN 79 HB2 ASN 79 -9.480 -0.300 5.565
587 HB3 ASN 79 HB1 ASN 79 -10.892 -1.332 5.446
588 HD21 ASN 79 HD21 ASN 79 -10.028 -2.826 3.122
589 HD22 ASN 79 HD22 ASN 79 -8.698 -3.795 3.633
590 H GLY 80 HN GLY 80 -10.354 1.975 4.755
591 HA2 GLY 80 HA2 GLY 80 -13.107 2.294 5.331
592 HA3 GLY 80 HA1 GLY 80 -11.888 3.556 5.382
593 H ALA 81 HN ALA 81 -11.127 3.194 2.617
594 HA ALA 81 HA ALA 81 -13.012 4.986 1.421
595 HB1 ALA 81 HB1 ALA 81 -10.611 3.599 0.213
596 HB2 ALA 81 HB2 ALA 81 -10.592 5.162 1.013
597 HB3 ALA 81 HB3 ALA 81 -11.485 4.955 -0.494
598 H LEU 82 HN LEU 82 -12.075 1.645 0.924
599 HA LEU 82 HA LEU 82 -13.911 1.247 -1.235
600 HB2 LEU 82 HB2 LEU 82 -12.096 -0.623 0.248
601 HB3 LEU 82 HB1 LEU 82 -13.223 -1.183 -0.963
602 HG LEU 82 HG LEU 82 -10.816 0.630 -1.420
603 HD11 LEU 82 HD11 LEU 82 -11.497 -2.122 -2.397
604 HD12 LEU 82 HD12 LEU 82 -10.315 -1.715 -1.153
605 HD13 LEU 82 HD13 LEU 82 -10.066 -1.176 -2.813
606 HD21 LEU 82 HD21 LEU 82 -12.938 -0.293 -3.357
607 HD22 LEU 82 HD22 LEU 82 -11.482 0.619 -3.752
608 HD23 LEU 82 HD23 LEU 82 -12.747 1.357 -2.767
609 H ALA 83 HN ALA 83 -14.375 1.396 2.027
610 HA ALA 83 HA ALA 83 -16.071 -0.765 2.545
611 HB1 ALA 83 HB1 ALA 83 -15.127 0.667 4.285
612 HB2 ALA 83 HB2 ALA 83 -16.881 0.523 4.435
613 HB3 ALA 83 HB3 ALA 83 -16.170 1.989 3.756
614 H GLU 84 HN GLU 84 -16.652 2.196 0.847
615 HA GLU 84 HA GLU 84 -19.517 1.570 0.658
616 HB2 GLU 84 HB2 GLU 84 -19.808 3.875 -0.131
617 HB3 GLU 84 HB1 GLU 84 -19.004 3.844 1.430
618 HG2 GLU 84 HG2 GLU 84 -16.854 4.226 0.338
619 HG3 GLU 84 HG1 GLU 84 -17.651 4.237 -1.234
620 H ALA 85 HN ALA 85 -16.995 0.515 -0.864
621 HA ALA 85 HA ALA 85 -18.040 1.008 -3.556
622 HB1 ALA 85 HB1 ALA 85 -15.931 2.200 -3.233
623 HB2 ALA 85 HB2 ALA 85 -15.750 0.890 -4.400
624 HB3 ALA 85 HB3 ALA 85 -15.146 0.697 -2.754
625 H ALA 86 HN ALA 86 -17.328 -0.744 -5.087
626 HA ALA 86 HA ALA 86 -16.612 -3.279 -4.063
627 HB1 ALA 86 HB1 ALA 86 -18.985 -3.277 -3.391
628 HB2 ALA 86 HB2 ALA 86 -18.703 -4.434 -4.693
629 HB3 ALA 86 HB3 ALA 86 -19.457 -2.881 -5.045
630 H28 SXM 87 H28A SXM 87 8.076 13.434 -0.706
631 H28A SXM 87 H28B SXM 87 8.948 13.425 -2.242
632 H30 SXM 87 H30A SXM 87 5.505 12.418 -1.329
633 H30A SXM 87 H30B SXM 87 4.745 13.876 -1.972
634 H30B SXM 87 H30C SXM 87 5.821 13.981 -0.579
635 H31 SXM 87 H31C SXM 87 7.145 15.689 -1.736
636 H31A SXM 87 H31A SXM 87 6.134 15.581 -3.178
637 H31B SXM 87 H31B SXM 87 7.877 15.341 -3.303
638 H32 SXM 87 H32A SXM 87 5.766 13.477 -4.349
639 HO33 SXM 87 H33A SXM 87 6.720 11.301 -2.941
640 HN36 SXM 87 H36A SXM 87 6.955 11.214 -5.420
641 H37 SXM 87 H37B SXM 87 9.653 11.091 -6.032
642 H37A SXM 87 H37A SXM 87 8.977 12.293 -7.137
643 H38 SXM 87 H38A SXM 87 8.066 9.426 -6.871
644 H38A SXM 87 H38B SXM 87 7.309 10.640 -7.877
645 HN41 SXM 87 H41A SXM 87 10.762 10.794 -7.707
646 H42 SXM 87 H42A SXM 87 11.375 9.044 -9.906
647 H42A SXM 87 H42B SXM 87 11.380 10.754 -10.321
648 H43 SXM 87 H43A SXM 87 13.061 9.444 -8.189
649 H43A SXM 87 H43B SXM 87 12.959 11.181 -8.492
650 H2 SXM 87 H2A SXM 87 16.587 10.415 -10.953
651 H2A SXM 87 H2B SXM 87 17.570 10.107 -9.524
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -16.925 -4.292 -6.717
2 H2 MET 1 HT2 MET 1 -17.396 -4.896 -5.229
3 H3 MET 1 HT3 MET 1 -17.414 -5.908 -6.583
4 HA MET 1 HA MET 1 -15.495 -6.368 -5.181
5 HB2 MET 1 HB2 MET 1 -15.092 -6.589 -7.566
6 HB3 MET 1 HB1 MET 1 -14.798 -4.869 -7.721
7 HG2 MET 1 HG2 MET 1 -12.728 -6.121 -7.835
8 HG3 MET 1 HG1 MET 1 -12.753 -5.085 -6.414
9 HE1 MET 1 HE1 MET 1 -14.547 -8.579 -6.946
10 HE2 MET 1 HE2 MET 1 -13.332 -9.678 -6.292
11 HE3 MET 1 HE3 MET 1 -12.998 -8.771 -7.768
12 H ALA 2 HN ALA 2 -16.017 -2.933 -5.772
13 HA ALA 2 HA ALA 2 -13.677 -2.099 -4.396
14 HB1 ALA 2 HB1 ALA 2 -14.690 -0.770 -6.193
15 HB2 ALA 2 HB2 ALA 2 -14.544 0.144 -4.690
16 HB3 ALA 2 HB3 ALA 2 -16.109 -0.505 -5.179
17 H THR 3 HN THR 3 -14.280 -3.557 -2.545
18 HA THR 3 HA THR 3 -15.170 -1.844 -0.370
19 HB THR 3 HB THR 3 -16.157 -4.637 -0.683
20 HG1 THR 3 HG1 THR 3 -17.488 -2.161 -1.238
21 HG21 THR 3 HG21 THR 3 -16.034 -3.846 1.607
22 HG22 THR 3 HG22 THR 3 -17.725 -4.011 1.134
23 HG23 THR 3 HG23 THR 3 -16.975 -2.414 1.189
24 H LEU 4 HN LEU 4 -13.230 -1.876 0.702
25 HA LEU 4 HA LEU 4 -11.330 -2.465 1.609
26 HB2 LEU 4 HB2 LEU 4 -12.888 -4.966 2.140
27 HB3 LEU 4 HB1 LEU 4 -11.287 -4.743 2.799
28 HG LEU 4 HG LEU 4 -12.247 -2.609 3.846
29 HD11 LEU 4 HD11 LEU 4 -14.260 -2.493 2.616
30 HD12 LEU 4 HD12 LEU 4 -14.633 -2.718 4.342
31 HD13 LEU 4 HD13 LEU 4 -14.735 -4.083 3.209
32 HD21 LEU 4 HD21 LEU 4 -13.080 -3.872 5.781
33 HD22 LEU 4 HD22 LEU 4 -11.594 -4.563 5.130
34 HD23 LEU 4 HD23 LEU 4 -13.147 -5.326 4.786
35 H LEU 5 HN LEU 5 -9.400 -3.950 1.638
36 HA LEU 5 HA LEU 5 -9.137 -5.439 -0.853
37 HB2 LEU 5 HB2 LEU 5 -7.165 -3.417 0.257
38 HB3 LEU 5 HB1 LEU 5 -6.713 -4.675 -0.876
39 HG LEU 5 HG LEU 5 -8.641 -2.433 -1.310
40 HD11 LEU 5 HD11 LEU 5 -6.966 -1.724 -2.981
41 HD12 LEU 5 HD12 LEU 5 -5.938 -3.078 -2.513
42 HD13 LEU 5 HD13 LEU 5 -6.274 -1.785 -1.360
43 HD21 LEU 5 HD21 LEU 5 -9.404 -4.434 -2.432
44 HD22 LEU 5 HD22 LEU 5 -7.807 -4.666 -3.143
45 HD23 LEU 5 HD23 LEU 5 -8.788 -3.272 -3.607
46 H THR 6 HN THR 6 -7.883 -7.232 -0.743
47 HA THR 6 HA THR 6 -7.482 -8.267 1.903
48 HB THR 6 HB THR 6 -6.649 -10.313 0.655
49 HG1 THR 6 HG1 THR 6 -7.695 -8.944 -1.606
50 HG21 THR 6 HG21 THR 6 -8.973 -10.130 1.433
51 HG22 THR 6 HG22 THR 6 -8.899 -10.968 -0.117
52 HG23 THR 6 HG23 THR 6 -9.410 -9.281 -0.052
53 H THR 7 HN THR 7 -5.337 -9.465 2.364
54 HA THR 7 HA THR 7 -3.310 -7.536 2.135
55 HB THR 7 HB THR 7 -1.986 -9.394 3.350
56 HG1 THR 7 HG1 THR 7 -3.059 -11.190 3.748
57 HG21 THR 7 HG21 THR 7 -4.509 -8.240 4.553
58 HG22 THR 7 HG22 THR 7 -2.967 -7.403 4.406
59 HG23 THR 7 HG23 THR 7 -3.104 -8.819 5.455
60 H ASP 8 HN ASP 8 -4.021 -10.543 0.489
61 HA ASP 8 HA ASP 8 -1.474 -10.820 -0.733
62 HB2 ASP 8 HB2 ASP 8 -2.898 -12.726 -0.781
63 HB3 ASP 8 HB1 ASP 8 -4.175 -11.835 -1.602
64 H ASP 9 HN ASP 9 -4.385 -9.139 -1.735
65 HA ASP 9 HA ASP 9 -3.507 -8.423 -4.335
66 HB2 ASP 9 HB2 ASP 9 -5.888 -8.270 -3.421
67 HB3 ASP 9 HB1 ASP 9 -5.383 -6.794 -2.604
68 H LEU 10 HN LEU 10 -3.498 -6.721 -1.264
69 HA LEU 10 HA LEU 10 -2.076 -4.421 -1.925
70 HB2 LEU 10 HB2 LEU 10 -3.183 -4.766 0.225
71 HB3 LEU 10 HB1 LEU 10 -2.052 -6.041 0.623
72 HG LEU 10 HG LEU 10 -0.227 -4.324 0.587
73 HD11 LEU 10 HD11 LEU 10 -1.308 -2.650 -0.778
74 HD12 LEU 10 HD12 LEU 10 -0.857 -1.985 0.799
75 HD13 LEU 10 HD13 LEU 10 -2.537 -2.416 0.468
76 HD21 LEU 10 HD21 LEU 10 -0.798 -3.400 2.773
77 HD22 LEU 10 HD22 LEU 10 -1.193 -5.115 2.662
78 HD23 LEU 10 HD23 LEU 10 -2.471 -3.906 2.547
79 H ARG 11 HN ARG 11 -0.911 -7.517 -0.679
80 HA ARG 11 HA ARG 11 1.795 -7.109 -0.480
81 HB2 ARG 11 HB2 ARG 11 0.780 -9.111 0.380
82 HB3 ARG 11 HB1 ARG 11 0.297 -9.622 -1.229
83 HG2 ARG 11 HG2 ARG 11 2.643 -9.926 -1.841
84 HG3 ARG 11 HG1 ARG 11 3.130 -9.376 -0.240
85 HD2 ARG 11 HD2 ARG 11 3.218 -11.787 -0.323
86 HD3 ARG 11 HD1 ARG 11 1.927 -11.283 0.754
87 HE ARG 11 HE ARG 11 0.596 -11.681 -1.543
88 HH11 ARG 11 HH11 ARG 11 3.034 -13.732 0.050
89 HH12 ARG 11 HH12 ARG 11 2.297 -15.199 -0.409
90 HH21 ARG 11 HH21 ARG 11 -0.342 -13.669 -2.225
91 HH22 ARG 11 HH22 ARG 11 0.366 -15.171 -1.825
92 H ARG 12 HN ARG 12 0.095 -8.490 -3.271
93 HA ARG 12 HA ARG 12 2.547 -8.747 -4.632
94 HB2 ARG 12 HB2 ARG 12 -0.268 -9.167 -5.550
95 HB3 ARG 12 HB1 ARG 12 1.139 -9.463 -6.568
96 HG2 ARG 12 HG2 ARG 12 0.622 -10.782 -3.908
97 HG3 ARG 12 HG1 ARG 12 0.317 -11.514 -5.486
98 HD2 ARG 12 HD2 ARG 12 3.085 -10.657 -4.456
99 HD3 ARG 12 HD1 ARG 12 2.443 -12.299 -4.579
100 HE ARG 12 HE ARG 12 2.201 -11.477 -7.041
101 HH11 ARG 12 HH11 ARG 12 4.925 -11.268 -4.740
102 HH12 ARG 12 HH12 ARG 12 6.068 -11.144 -6.017
103 HH21 ARG 12 HH21 ARG 12 3.902 -11.263 -8.707
104 HH22 ARG 12 HH22 ARG 12 5.525 -11.136 -8.188
105 H ALA 13 HN ALA 13 0.235 -6.186 -4.582
106 HA ALA 13 HA ALA 13 1.332 -4.911 -6.906
107 HB1 ALA 13 HB1 ALA 13 -0.931 -4.376 -6.103
108 HB2 ALA 13 HB2 ALA 13 0.089 -2.934 -6.128
109 HB3 ALA 13 HB3 ALA 13 -0.248 -3.751 -4.600
110 H LEU 14 HN LEU 14 1.785 -4.749 -3.435
111 HA LEU 14 HA LEU 14 3.575 -2.608 -3.264
112 HB2 LEU 14 HB2 LEU 14 2.284 -3.608 -1.400
113 HB3 LEU 14 HB1 LEU 14 3.313 -5.020 -1.476
114 HG LEU 14 HG LEU 14 5.246 -3.587 -0.851
115 HD11 LEU 14 HD11 LEU 14 3.123 -1.492 -0.417
116 HD12 LEU 14 HD12 LEU 14 4.358 -1.471 -1.676
117 HD13 LEU 14 HD13 LEU 14 4.830 -1.354 0.016
118 HD21 LEU 14 HD21 LEU 14 2.900 -3.563 1.048
119 HD22 LEU 14 HD22 LEU 14 4.590 -3.341 1.498
120 HD23 LEU 14 HD23 LEU 14 4.052 -4.882 0.829
121 H VAL 15 HN VAL 15 4.089 -6.078 -3.584
122 HA VAL 15 HA VAL 15 6.885 -6.111 -3.337
123 HB VAL 15 HB VAL 15 5.069 -8.068 -4.792
124 HG11 VAL 15 HG11 VAL 15 7.943 -8.421 -3.933
125 HG12 VAL 15 HG12 VAL 15 7.374 -8.285 -5.596
126 HG13 VAL 15 HG13 VAL 15 6.903 -9.674 -4.614
127 HG21 VAL 15 HG21 VAL 15 6.314 -8.143 -2.050
128 HG22 VAL 15 HG22 VAL 15 5.338 -9.419 -2.778
129 HG23 VAL 15 HG23 VAL 15 4.614 -7.851 -2.414
130 H GLU 16 HN GLU 16 4.879 -5.768 -6.265
131 HA GLU 16 HA GLU 16 7.043 -5.911 -8.068
132 HB2 GLU 16 HB2 GLU 16 4.365 -4.561 -8.431
133 HB3 GLU 16 HB1 GLU 16 5.533 -4.825 -9.715
134 HG2 GLU 16 HG2 GLU 16 5.350 -7.266 -9.290
135 HG3 GLU 16 HG1 GLU 16 4.057 -6.916 -8.143
136 H SER 17 HN SER 17 5.495 -3.170 -6.481
137 HA SER 17 HA SER 17 7.197 -1.308 -7.854
138 HB2 SER 17 HB2 SER 17 4.819 -0.820 -7.367
139 HB3 SER 17 HB1 SER 17 5.177 -0.849 -5.643
140 HG SER 17 HG SER 17 5.761 1.124 -5.820
141 H ALA 18 HN ALA 18 7.706 -3.322 -5.304
142 HA ALA 18 HA ALA 18 9.032 -1.621 -3.435
143 HB1 ALA 18 HB1 ALA 18 8.085 -3.789 -2.793
144 HB2 ALA 18 HB2 ALA 18 9.790 -3.662 -2.364
145 HB3 ALA 18 HB3 ALA 18 9.304 -4.606 -3.775
146 H GLY 19 HN GLY 19 9.905 -2.515 -6.434
147 HA2 GLY 19 HA2 GLY 19 12.392 -1.357 -6.443
148 HA3 GLY 19 HA1 GLY 19 12.660 -3.080 -6.166
149 H GLU 20 HN GLU 20 13.022 -4.150 -7.911
150 HA GLU 20 HA GLU 20 11.485 -3.518 -10.328
151 HB2 GLU 20 HB2 GLU 20 13.718 -2.568 -10.600
152 HB3 GLU 20 HB1 GLU 20 14.450 -4.087 -10.124
153 HG2 GLU 20 HG2 GLU 20 14.587 -3.718 -12.527
154 HG3 GLU 20 HG1 GLU 20 13.633 -5.148 -12.139
155 H THR 21 HN THR 21 10.359 -5.251 -10.917
156 HA THR 21 HA THR 21 9.575 -7.353 -11.097
157 HB THR 21 HB THR 21 12.482 -8.122 -11.380
158 HG1 THR 21 HG1 THR 21 11.430 -6.202 -12.673
159 HG21 THR 21 HG21 THR 21 10.877 -9.995 -11.379
160 HG22 THR 21 HG22 THR 21 11.582 -9.780 -12.980
161 HG23 THR 21 HG23 THR 21 9.949 -9.200 -12.650
162 H ASP 22 HN ASP 22 8.910 -7.299 -8.942
163 HA ASP 22 HA ASP 22 8.633 -7.916 -6.804
164 HB2 ASP 22 HB2 ASP 22 10.287 -10.414 -7.517
165 HB3 ASP 22 HB1 ASP 22 9.373 -10.143 -6.035
166 H GLY 23 HN GLY 23 9.669 -6.163 -6.045
167 HA2 GLY 23 HA2 GLY 23 12.473 -5.880 -5.795
168 HA3 GLY 23 HA1 GLY 23 11.269 -4.937 -4.932
169 H THR 24 HN THR 24 10.015 -6.777 -3.439
170 HA THR 24 HA THR 24 11.715 -8.583 -2.164
171 HB THR 24 HB THR 24 12.590 -6.466 -1.139
172 HG1 THR 24 HG1 THR 24 12.618 -8.254 0.141
173 HG21 THR 24 HG21 THR 24 10.586 -5.052 -1.299
174 HG22 THR 24 HG22 THR 24 11.165 -5.117 0.366
175 HG23 THR 24 HG23 THR 24 9.766 -6.070 -0.118
176 H ASP 25 HN ASP 25 10.390 -10.035 -1.172
177 HA ASP 25 HA ASP 25 7.573 -9.710 -1.713
178 HB2 ASP 25 HB2 ASP 25 9.119 -12.006 -0.516
179 HB3 ASP 25 HB1 ASP 25 7.381 -12.017 -0.770
180 H LEU 26 HN LEU 26 6.087 -9.232 -0.325
181 HA LEU 26 HA LEU 26 6.852 -9.129 2.479
182 HB2 LEU 26 HB2 LEU 26 4.813 -7.443 1.007
183 HB3 LEU 26 HB1 LEU 26 4.930 -7.505 2.745
184 HG LEU 26 HG LEU 26 5.939 -5.515 2.120
185 HD11 LEU 26 HD11 LEU 26 7.192 -6.637 3.797
186 HD12 LEU 26 HD12 LEU 26 8.279 -5.722 2.753
187 HD13 LEU 26 HD13 LEU 26 8.153 -7.472 2.577
188 HD21 LEU 26 HD21 LEU 26 6.199 -5.883 -0.262
189 HD22 LEU 26 HD22 LEU 26 7.534 -6.997 0.032
190 HD23 LEU 26 HD23 LEU 26 7.709 -5.288 0.428
191 H SER 27 HN SER 27 6.374 -11.422 2.284
192 HA SER 27 HA SER 27 3.502 -11.955 2.386
193 HB2 SER 27 HB2 SER 27 5.826 -13.871 2.129
194 HB3 SER 27 HB1 SER 27 4.122 -14.320 2.096
195 HG SER 27 HG SER 27 5.668 -13.499 0.091
196 H GLY 28 HN GLY 28 2.712 -13.232 4.120
197 HA2 GLY 28 HA2 GLY 28 2.778 -14.161 6.277
198 HA3 GLY 28 HA1 GLY 28 4.431 -13.573 6.461
199 H ASP 29 HN ASP 29 4.365 -12.253 8.186
200 HA ASP 29 HA ASP 29 2.147 -10.383 8.325
201 HB2 ASP 29 HB2 ASP 29 2.812 -9.853 10.606
202 HB3 ASP 29 HB1 ASP 29 2.820 -11.597 10.442
203 H PHE 30 HN PHE 30 2.401 -8.740 7.062
204 HA PHE 30 HA PHE 30 5.011 -7.377 7.099
205 HB2 PHE 30 HB2 PHE 30 4.804 -6.864 4.744
206 HB3 PHE 30 HB1 PHE 30 4.706 -8.600 4.985
207 HD1 PHE 30 HD2 PHE 30 2.425 -9.712 4.847
208 HD2 PHE 30 HD1 PHE 30 3.088 -5.674 3.667
209 HE1 PHE 30 HE2 PHE 30 0.344 -9.748 3.537
210 HE2 PHE 30 HE1 PHE 30 1.010 -5.714 2.357
211 HZ PHE 30 HZ PHE 30 -0.361 -7.754 2.292
212 H LEU 31 HN LEU 31 1.808 -7.093 7.826
213 HA LEU 31 HA LEU 31 1.245 -4.555 6.693
214 HB2 LEU 31 HB2 LEU 31 -0.123 -6.105 8.869
215 HB3 LEU 31 HB1 LEU 31 -0.654 -4.519 8.372
216 HG LEU 31 HG LEU 31 -2.057 -6.138 7.362
217 HD11 LEU 31 HD11 LEU 31 -1.563 -4.227 6.004
218 HD12 LEU 31 HD12 LEU 31 -1.775 -5.657 4.994
219 HD13 LEU 31 HD13 LEU 31 -0.155 -5.041 5.320
220 HD21 LEU 31 HD21 LEU 31 -1.242 -7.873 5.840
221 HD22 LEU 31 HD22 LEU 31 -0.615 -8.086 7.473
222 HD23 LEU 31 HD23 LEU 31 0.420 -7.414 6.213
223 H ASP 32 HN ASP 32 2.611 -5.572 9.711
224 HA ASP 32 HA ASP 32 2.452 -2.801 10.649
225 HB2 ASP 32 HB2 ASP 32 3.086 -5.327 12.186
226 HB3 ASP 32 HB1 ASP 32 3.062 -3.707 12.873
227 H LEU 33 HN LEU 33 4.470 -4.684 8.955
228 HA LEU 33 HA LEU 33 6.967 -4.015 10.162
229 HB2 LEU 33 HB2 LEU 33 6.429 -6.058 8.694
230 HB3 LEU 33 HB1 LEU 33 6.324 -4.935 7.356
231 HG LEU 33 HG LEU 33 8.600 -4.362 7.550
232 HD11 LEU 33 HD11 LEU 33 8.697 -6.380 9.813
233 HD12 LEU 33 HD12 LEU 33 8.911 -4.638 9.977
234 HD13 LEU 33 HD13 LEU 33 10.102 -5.590 9.093
235 HD21 LEU 33 HD21 LEU 33 8.088 -7.323 7.522
236 HD22 LEU 33 HD22 LEU 33 9.537 -6.543 6.870
237 HD23 LEU 33 HD23 LEU 33 7.952 -6.224 6.154
238 H ARG 34 HN ARG 34 7.992 -2.073 9.776
239 HA ARG 34 HA ARG 34 6.364 -0.064 8.554
240 HB2 ARG 34 HB2 ARG 34 9.159 0.118 9.641
241 HB3 ARG 34 HB1 ARG 34 8.101 1.467 9.254
242 HG2 ARG 34 HG2 ARG 34 6.559 0.751 11.014
243 HG3 ARG 34 HG1 ARG 34 7.649 -0.583 11.409
244 HD2 ARG 34 HD2 ARG 34 7.975 1.330 12.901
245 HD3 ARG 34 HD1 ARG 34 9.417 1.007 11.926
246 HE ARG 34 HE ARG 34 7.483 2.957 10.979
247 HH11 ARG 34 HH11 ARG 34 10.712 2.329 12.306
248 HH12 ARG 34 HH12 ARG 34 11.299 3.900 11.981
249 HH21 ARG 34 HH21 ARG 34 8.281 5.005 10.490
250 HH22 ARG 34 HH22 ARG 34 9.879 5.496 10.886
251 H PHE 35 HN PHE 35 6.897 1.224 6.781
252 HA PHE 35 HA PHE 35 8.330 -0.038 4.706
253 HB2 PHE 35 HB2 PHE 35 7.284 2.778 4.978
254 HB3 PHE 35 HB1 PHE 35 8.162 2.235 3.550
255 HD1 PHE 35 HD2 PHE 35 7.273 -0.033 2.566
256 HD2 PHE 35 HD1 PHE 35 4.995 2.642 4.922
257 HE1 PHE 35 HE2 PHE 35 5.221 -0.979 1.627
258 HE2 PHE 35 HE1 PHE 35 2.929 1.706 3.988
259 HZ PHE 35 HZ PHE 35 3.037 -0.104 2.332
260 H GLU 36 HN GLU 36 9.230 2.032 7.228
261 HA GLU 36 HA GLU 36 11.744 2.926 6.305
262 HB2 GLU 36 HB2 GLU 36 10.434 3.705 8.340
263 HB3 GLU 36 HB1 GLU 36 10.990 2.248 9.148
264 HG2 GLU 36 HG2 GLU 36 12.394 4.038 9.811
265 HG3 GLU 36 HG1 GLU 36 13.324 3.000 8.728
266 H ASP 37 HN ASP 37 10.551 -0.076 7.656
267 HA ASP 37 HA ASP 37 13.132 -1.146 8.318
268 HB2 ASP 37 HB2 ASP 37 10.439 -2.523 8.162
269 HB3 ASP 37 HB1 ASP 37 11.920 -3.288 8.705
270 H ILE 38 HN ILE 38 10.870 -1.375 5.659
271 HA ILE 38 HA ILE 38 12.613 -3.338 4.439
272 HB ILE 38 HB ILE 38 10.862 -3.629 2.695
273 HG12 ILE 38 HG12 ILE 38 9.255 -1.711 4.411
274 HG13 ILE 38 HG11 ILE 38 9.887 -1.380 2.801
275 HG21 ILE 38 HG21 ILE 38 9.887 -3.916 5.547
276 HG22 ILE 38 HG22 ILE 38 10.893 -5.067 4.672
277 HG23 ILE 38 HG23 ILE 38 9.233 -4.766 4.155
278 HD11 ILE 38 HD11 ILE 38 7.497 -1.919 2.752
279 HD12 ILE 38 HD12 ILE 38 7.843 -3.487 3.477
280 HD13 ILE 38 HD13 ILE 38 8.451 -3.109 1.867
281 H GLY 39 HN GLY 39 13.065 -0.373 4.707
282 HA2 GLY 39 HA2 GLY 39 14.184 1.278 3.551
283 HA3 GLY 39 HA1 GLY 39 14.762 -0.021 2.522
284 H TYR 40 HN TYR 40 11.630 1.512 3.061
285 HA TYR 40 HA TYR 40 11.213 1.472 0.156
286 HB2 TYR 40 HB2 TYR 40 9.714 0.491 2.205
287 HB3 TYR 40 HB1 TYR 40 9.017 2.083 1.987
288 HD1 TYR 40 HD1 TYR 40 9.814 -1.047 0.300
289 HD2 TYR 40 HD2 TYR 40 7.520 2.510 0.213
290 HE1 TYR 40 HE1 TYR 40 8.485 -1.973 -1.540
291 HE2 TYR 40 HE2 TYR 40 6.178 1.617 -1.643
292 HH TYR 40 HH TYR 40 6.351 -1.666 -2.668
293 H ASP 41 HN ASP 41 11.635 3.456 -0.745
294 HA ASP 41 HA ASP 41 11.280 5.887 0.778
295 HB2 ASP 41 HB2 ASP 41 13.006 5.742 -1.050
296 HB3 ASP 41 HB1 ASP 41 11.710 5.541 -2.220
297 H SER 42 HN SER 42 9.637 7.540 0.140
298 HA SER 42 HA SER 42 7.141 6.259 0.055
299 HB2 SER 42 HB2 SER 42 7.404 9.197 -0.455
300 HB3 SER 42 HB1 SER 42 6.215 8.294 0.453
301 H LEU 43 HN LEU 43 9.221 7.510 -2.446
302 HA LEU 43 HA LEU 43 7.280 8.068 -4.399
303 HB2 LEU 43 HB2 LEU 43 9.763 8.618 -4.481
304 HB3 LEU 43 HB1 LEU 43 10.054 6.950 -4.902
305 HG LEU 43 HG LEU 43 10.149 8.574 -6.821
306 HD11 LEU 43 HD11 LEU 43 8.891 7.237 -8.423
307 HD12 LEU 43 HD12 LEU 43 8.031 6.447 -7.110
308 HD13 LEU 43 HD13 LEU 43 9.768 6.209 -7.290
309 HD21 LEU 43 HD21 LEU 43 7.185 8.759 -6.347
310 HD22 LEU 43 HD22 LEU 43 8.047 9.415 -7.739
311 HD23 LEU 43 HD23 LEU 43 8.362 10.052 -6.122
312 H ALA 44 HN ALA 44 8.941 5.069 -3.577
313 HA ALA 44 HA ALA 44 7.734 3.482 -5.592
314 HB1 ALA 44 HB1 ALA 44 9.794 2.805 -4.438
315 HB2 ALA 44 HB2 ALA 44 8.544 1.571 -4.281
316 HB3 ALA 44 HB3 ALA 44 8.895 2.650 -2.928
317 H LEU 45 HN LEU 45 6.869 4.430 -2.381
318 HA LEU 45 HA LEU 45 4.678 2.648 -2.061
319 HB2 LEU 45 HB2 LEU 45 5.854 3.572 -0.152
320 HB3 LEU 45 HB1 LEU 45 5.420 5.195 -0.628
321 HG LEU 45 HG LEU 45 3.094 4.784 -0.061
322 HD11 LEU 45 HD11 LEU 45 2.970 2.420 -0.706
323 HD12 LEU 45 HD12 LEU 45 2.390 2.670 0.942
324 HD13 LEU 45 HD13 LEU 45 3.994 1.994 0.665
325 HD21 LEU 45 HD21 LEU 45 3.364 4.457 2.344
326 HD22 LEU 45 HD22 LEU 45 4.614 5.519 1.695
327 HD23 LEU 45 HD23 LEU 45 4.996 3.841 2.079
328 H MET 46 HN MET 46 5.040 5.944 -3.192
329 HA MET 46 HA MET 46 2.364 6.700 -3.521
330 HB2 MET 46 HB2 MET 46 4.746 7.375 -5.248
331 HB3 MET 46 HB1 MET 46 3.184 8.160 -5.362
332 HG2 MET 46 HG2 MET 46 5.022 8.201 -2.992
333 HG3 MET 46 HG1 MET 46 4.814 9.468 -4.203
334 HE1 MET 46 HE1 MET 46 1.100 10.558 -3.555
335 HE2 MET 46 HE2 MET 46 1.676 9.332 -4.688
336 HE3 MET 46 HE3 MET 46 2.562 10.843 -4.502
337 H GLU 47 HN GLU 47 4.569 4.994 -5.629
338 HA GLU 47 HA GLU 47 2.906 4.754 -7.866
339 HB2 GLU 47 HB2 GLU 47 5.432 4.410 -7.503
340 HB3 GLU 47 HB1 GLU 47 5.026 2.765 -7.048
341 HG2 GLU 47 HG2 GLU 47 4.328 3.987 -9.720
342 HG3 GLU 47 HG1 GLU 47 5.813 3.123 -9.417
343 H THR 48 HN THR 48 3.645 2.408 -5.260
344 HA THR 48 HA THR 48 1.833 0.421 -5.812
345 HB THR 48 HB THR 48 2.688 1.471 -3.095
346 HG1 THR 48 HG1 THR 48 4.533 0.284 -3.422
347 HG21 THR 48 HG21 THR 48 0.801 -0.098 -2.943
348 HG22 THR 48 HG22 THR 48 2.285 -0.826 -2.322
349 HG23 THR 48 HG23 THR 48 1.690 -1.268 -3.923
350 H ALA 49 HN ALA 49 1.317 3.278 -3.701
351 HA ALA 49 HA ALA 49 -1.320 2.776 -2.978
352 HB1 ALA 49 HB1 ALA 49 0.026 5.459 -3.289
353 HB2 ALA 49 HB2 ALA 49 0.102 4.431 -1.856
354 HB3 ALA 49 HB3 ALA 49 -1.436 5.132 -2.358
355 H ALA 50 HN ALA 50 -0.128 4.982 -5.522
356 HA ALA 50 HA ALA 50 -2.598 5.798 -6.523
357 HB1 ALA 50 HB1 ALA 50 -0.472 6.882 -7.068
358 HB2 ALA 50 HB2 ALA 50 -1.390 6.482 -8.521
359 HB3 ALA 50 HB3 ALA 50 -0.014 5.488 -8.047
360 H ARG 51 HN ARG 51 -0.647 3.023 -7.299
361 HA ARG 51 HA ARG 51 -2.000 2.042 -9.540
362 HB2 ARG 51 HB2 ARG 51 0.188 1.190 -8.747
363 HB3 ARG 51 HB1 ARG 51 -0.589 0.528 -7.322
364 HG2 ARG 51 HG2 ARG 51 -1.909 -0.955 -8.809
365 HG3 ARG 51 HG1 ARG 51 -0.963 -0.353 -10.170
366 HD2 ARG 51 HD2 ARG 51 0.132 -1.777 -7.739
367 HD3 ARG 51 HD1 ARG 51 -0.094 -2.488 -9.331
368 HE ARG 51 HE ARG 51 1.700 -0.179 -9.036
369 HH11 ARG 51 HH11 ARG 51 1.263 -3.613 -9.787
370 HH12 ARG 51 HH12 ARG 51 2.840 -3.812 -10.385
371 HH21 ARG 51 HH21 ARG 51 3.906 -0.504 -9.790
372 HH22 ARG 51 HH22 ARG 51 4.376 -2.037 -10.350
373 H LEU 52 HN LEU 52 -2.387 1.197 -6.110
374 HA LEU 52 HA LEU 52 -4.657 -0.435 -6.553
375 HB2 LEU 52 HB2 LEU 52 -3.603 0.817 -4.027
376 HB3 LEU 52 HB1 LEU 52 -4.909 -0.351 -4.083
377 HG LEU 52 HG LEU 52 -2.069 -0.871 -4.963
378 HD11 LEU 52 HD11 LEU 52 -2.240 -0.590 -2.556
379 HD12 LEU 52 HD12 LEU 52 -1.941 -2.277 -2.971
380 HD13 LEU 52 HD13 LEU 52 -3.562 -1.756 -2.503
381 HD21 LEU 52 HD21 LEU 52 -4.434 -2.728 -4.690
382 HD22 LEU 52 HD22 LEU 52 -2.785 -3.211 -5.091
383 HD23 LEU 52 HD23 LEU 52 -3.705 -2.200 -6.206
384 H GLU 53 HN GLU 53 -4.263 2.964 -5.622
385 HA GLU 53 HA GLU 53 -6.882 3.522 -4.903
386 HB2 GLU 53 HB2 GLU 53 -5.079 5.416 -6.403
387 HB3 GLU 53 HB1 GLU 53 -6.561 5.769 -5.549
388 HG2 GLU 53 HG2 GLU 53 -5.547 5.310 -3.438
389 HG3 GLU 53 HG1 GLU 53 -4.032 4.854 -4.241
390 H SER 54 HN SER 54 -5.364 3.751 -8.090
391 HA SER 54 HA SER 54 -7.767 4.665 -9.313
392 HB2 SER 54 HB2 SER 54 -5.282 3.580 -10.641
393 HB3 SER 54 HB1 SER 54 -6.483 4.671 -11.336
394 HG SER 54 HG SER 54 -4.480 5.172 -9.453
395 H ARG 55 HN ARG 55 -6.282 1.580 -8.764
396 HA ARG 55 HA ARG 55 -7.697 0.151 -10.773
397 HB2 ARG 55 HB2 ARG 55 -5.551 -0.610 -9.824
398 HB3 ARG 55 HB1 ARG 55 -6.348 -0.896 -8.287
399 HG2 ARG 55 HG2 ARG 55 -7.749 -2.599 -9.328
400 HG3 ARG 55 HG1 ARG 55 -6.950 -2.308 -10.875
401 HD2 ARG 55 HD2 ARG 55 -4.817 -2.981 -9.905
402 HD3 ARG 55 HD1 ARG 55 -5.601 -3.248 -8.347
403 HE ARG 55 HE ARG 55 -6.400 -4.719 -10.747
404 HH11 ARG 55 HH11 ARG 55 -5.216 -4.725 -7.381
405 HH12 ARG 55 HH12 ARG 55 -5.481 -6.360 -7.118
406 HH21 ARG 55 HH21 ARG 55 -6.635 -7.059 -10.438
407 HH22 ARG 55 HH22 ARG 55 -6.323 -7.747 -8.918
408 H TYR 56 HN TYR 56 -8.332 0.818 -7.367
409 HA TYR 56 HA TYR 56 -10.813 -0.696 -7.688
410 HB2 TYR 56 HB2 TYR 56 -9.247 -0.098 -5.198
411 HB3 TYR 56 HB1 TYR 56 -10.909 -0.684 -5.149
412 HD1 TYR 56 HD2 TYR 56 -7.451 -1.545 -6.101
413 HD2 TYR 56 HD1 TYR 56 -11.452 -2.937 -5.718
414 HE1 TYR 56 HE2 TYR 56 -6.670 -3.858 -6.374
415 HE2 TYR 56 HE1 TYR 56 -10.684 -5.251 -5.994
416 HH TYR 56 HH TYR 56 -7.344 -6.105 -5.902
417 H GLY 57 HN GLY 57 -9.656 2.490 -7.121
418 HA2 GLY 57 HA2 GLY 57 -11.035 4.304 -7.648
419 HA3 GLY 57 HA1 GLY 57 -12.437 3.342 -7.218
420 H VAL 58 HN VAL 58 -9.456 4.396 -5.587
421 HA VAL 58 HA VAL 58 -11.153 5.639 -3.550
422 HB VAL 58 HB VAL 58 -9.563 5.133 -1.734
423 HG11 VAL 58 HG11 VAL 58 -11.421 3.645 -2.053
424 HG12 VAL 58 HG12 VAL 58 -9.986 2.766 -1.493
425 HG13 VAL 58 HG13 VAL 58 -10.459 2.700 -3.192
426 HG21 VAL 58 HG21 VAL 58 -8.182 3.328 -3.679
427 HG22 VAL 58 HG22 VAL 58 -7.757 3.568 -1.978
428 HG23 VAL 58 HG23 VAL 58 -7.542 4.883 -3.142
429 H SER 59 HN SER 59 -9.650 7.154 -2.117
430 HA SER 59 HA SER 59 -7.775 8.524 -3.876
431 HB2 SER 59 HB2 SER 59 -10.002 9.925 -2.374
432 HB3 SER 59 HB1 SER 59 -8.865 10.647 -3.514
433 HG SER 59 HG SER 59 -11.022 8.906 -3.967
434 H ILE 60 HN ILE 60 -5.962 8.446 -2.709
435 HA ILE 60 HA ILE 60 -6.024 9.217 0.128
436 HB ILE 60 HB ILE 60 -4.145 7.255 -1.268
437 HG12 ILE 60 HG12 ILE 60 -6.147 6.821 0.966
438 HG13 ILE 60 HG11 ILE 60 -6.364 6.333 -0.709
439 HG21 ILE 60 HG21 ILE 60 -2.887 8.595 0.363
440 HG22 ILE 60 HG22 ILE 60 -3.035 6.933 0.916
441 HG23 ILE 60 HG23 ILE 60 -4.056 8.185 1.617
442 HD11 ILE 60 HD11 ILE 60 -4.501 4.769 -0.488
443 HD12 ILE 60 HD12 ILE 60 -5.756 4.461 0.718
444 HD13 ILE 60 HD13 ILE 60 -4.271 5.281 1.185
445 HA PRO 61 HA PRO 61 -3.967 12.827 -1.593
446 HB2 PRO 61 HB2 PRO 61 -3.182 13.071 1.275
447 HB3 PRO 61 HB1 PRO 61 -3.889 14.282 0.194
448 HG2 PRO 61 HG2 PRO 61 -5.402 13.118 2.014
449 HG3 PRO 61 HG1 PRO 61 -6.029 13.380 0.374
450 HD2 PRO 61 HD2 PRO 61 -5.019 10.866 1.638
451 HD3 PRO 61 HD1 PRO 61 -6.400 11.107 0.547
452 H ASP 62 HN ASP 62 -1.962 13.352 -2.196
453 HA ASP 62 HA ASP 62 -0.004 11.454 -2.557
454 HB2 ASP 62 HB2 ASP 62 0.295 14.450 -2.597
455 HB3 ASP 62 HB1 ASP 62 1.578 13.351 -3.076
456 H ASP 63 HN ASP 63 0.390 14.168 -0.300
457 HA ASP 63 HA ASP 63 2.794 12.962 0.670
458 HB2 ASP 63 HB2 ASP 63 2.951 14.792 2.296
459 HB3 ASP 63 HB1 ASP 63 2.658 15.390 0.671
460 H VAL 64 HN VAL 64 -0.415 12.477 1.437
461 HA VAL 64 HA VAL 64 0.116 11.528 4.120
462 HB VAL 64 HB VAL 64 -2.370 11.210 2.377
463 HG11 VAL 64 HG11 VAL 64 -2.249 9.448 4.072
464 HG12 VAL 64 HG12 VAL 64 -3.541 10.588 4.445
465 HG13 VAL 64 HG13 VAL 64 -2.019 10.661 5.332
466 HG21 VAL 64 HG21 VAL 64 -1.917 13.532 2.939
467 HG22 VAL 64 HG22 VAL 64 -1.803 13.115 4.647
468 HG23 VAL 64 HG23 VAL 64 -3.343 12.956 3.799
469 H ALA 65 HN ALA 65 -0.463 10.213 0.891
470 HA ALA 65 HA ALA 65 -0.231 7.483 1.457
471 HB1 ALA 65 HB1 ALA 65 0.340 7.229 -0.900
472 HB2 ALA 65 HB2 ALA 65 0.684 8.945 -1.014
473 HB3 ALA 65 HB3 ALA 65 -0.979 8.399 -0.731
474 H GLY 66 HN GLY 66 2.132 9.980 0.779
475 HA2 GLY 66 HA2 GLY 66 4.386 8.247 0.875
476 HA3 GLY 66 HA1 GLY 66 4.419 10.004 0.959
477 H ARG 67 HN ARG 67 2.356 9.217 3.353
478 HA ARG 67 HA ARG 67 4.537 8.917 5.279
479 HB2 ARG 67 HB2 ARG 67 2.163 10.752 5.486
480 HB3 ARG 67 HB1 ARG 67 3.112 10.284 6.891
481 HG2 ARG 67 HG2 ARG 67 4.135 11.742 4.456
482 HG3 ARG 67 HG1 ARG 67 3.826 12.441 6.050
483 HD2 ARG 67 HD2 ARG 67 5.803 10.258 5.448
484 HD3 ARG 67 HD1 ARG 67 6.211 11.965 5.661
485 HE ARG 67 HE ARG 67 5.154 11.648 7.940
486 HH11 ARG 67 HH11 ARG 67 7.127 9.119 6.313
487 HH12 ARG 67 HH12 ARG 67 7.504 8.312 7.758
488 HH21 ARG 67 HH21 ARG 67 5.732 10.489 9.911
489 HH22 ARG 67 HH22 ARG 67 6.661 9.057 9.840
490 H VAL 68 HN VAL 68 2.236 7.115 4.071
491 HA VAL 68 HA VAL 68 1.197 6.153 6.576
492 HB VAL 68 HB VAL 68 0.196 4.245 5.217
493 HG11 VAL 68 HG11 VAL 68 -1.093 6.208 5.770
494 HG12 VAL 68 HG12 VAL 68 -1.509 5.641 4.151
495 HG13 VAL 68 HG13 VAL 68 -0.465 7.050 4.352
496 HG21 VAL 68 HG21 VAL 68 0.076 4.514 2.772
497 HG22 VAL 68 HG22 VAL 68 1.743 4.242 3.300
498 HG23 VAL 68 HG23 VAL 68 1.194 5.864 2.869
499 H ASP 69 HN ASP 69 2.817 5.721 7.744
500 HA ASP 69 HA ASP 69 5.308 4.747 7.248
501 HB2 ASP 69 HB2 ASP 69 4.445 5.811 9.324
502 HB3 ASP 69 HB1 ASP 69 3.733 4.271 9.762
503 H THR 70 HN THR 70 2.432 2.770 7.712
504 HA THR 70 HA THR 70 4.076 0.383 7.274
505 HB THR 70 HB THR 70 2.387 -0.843 8.665
506 HG1 THR 70 HG1 THR 70 1.379 1.002 10.195
507 HG21 THR 70 HG21 THR 70 3.871 1.376 10.058
508 HG22 THR 70 HG22 THR 70 4.548 -0.197 9.618
509 HG23 THR 70 HG23 THR 70 3.266 -0.088 10.832
510 HA PRO 71 HA PRO 71 1.225 -0.600 3.925
511 HB2 PRO 71 HB2 PRO 71 1.279 -3.373 5.028
512 HB3 PRO 71 HB1 PRO 71 1.620 -2.820 3.383
513 HG2 PRO 71 HG2 PRO 71 3.597 -3.570 4.974
514 HG3 PRO 71 HG1 PRO 71 3.781 -2.154 3.917
515 HD2 PRO 71 HD2 PRO 71 3.241 -2.269 6.857
516 HD3 PRO 71 HD1 PRO 71 4.303 -1.172 5.946
517 H ARG 72 HN ARG 72 0.753 -1.593 7.207
518 HA ARG 72 HA ARG 72 -1.903 -2.365 7.341
519 HB2 ARG 72 HB2 ARG 72 -0.382 -2.425 9.264
520 HB3 ARG 72 HB1 ARG 72 -0.312 -0.672 9.280
521 HG2 ARG 72 HG2 ARG 72 -1.751 -1.378 11.030
522 HG3 ARG 72 HG1 ARG 72 -2.748 -0.643 9.773
523 HD2 ARG 72 HD2 ARG 72 -3.850 -2.613 10.532
524 HD3 ARG 72 HD1 ARG 72 -3.211 -2.943 8.920
525 HE ARG 72 HE ARG 72 -1.330 -3.697 10.855
526 HH11 ARG 72 HH11 ARG 72 -4.492 -4.776 9.611
527 HH12 ARG 72 HH12 ARG 72 -4.218 -6.396 10.004
528 HH21 ARG 72 HH21 ARG 72 -0.985 -5.893 11.409
529 HH22 ARG 72 HH22 ARG 72 -2.166 -7.074 11.082
530 H GLU 73 HN GLU 73 -0.493 0.887 7.636
531 HA GLU 73 HA GLU 73 -2.927 2.241 7.895
532 HB2 GLU 73 HB2 GLU 73 -0.252 3.269 6.960
533 HB3 GLU 73 HB1 GLU 73 -1.612 4.286 7.403
534 HG2 GLU 73 HG2 GLU 73 -0.080 2.431 9.198
535 HG3 GLU 73 HG1 GLU 73 -0.066 4.194 9.218
536 H LEU 74 HN LEU 74 -0.944 1.608 5.031
537 HA LEU 74 HA LEU 74 -2.489 3.135 3.210
538 HB2 LEU 74 HB2 LEU 74 -0.131 2.006 2.859
539 HB3 LEU 74 HB1 LEU 74 -1.087 0.588 2.463
540 HG LEU 74 HG LEU 74 -0.171 1.878 0.505
541 HD11 LEU 74 HD11 LEU 74 -3.147 1.454 0.598
542 HD12 LEU 74 HD12 LEU 74 -1.925 0.246 0.201
543 HD13 LEU 74 HD13 LEU 74 -2.172 1.632 -0.860
544 HD21 LEU 74 HD21 LEU 74 -1.433 3.845 -0.229
545 HD22 LEU 74 HD22 LEU 74 -0.598 4.130 1.300
546 HD23 LEU 74 HD23 LEU 74 -2.334 3.822 1.286
547 H LEU 75 HN LEU 75 -2.620 -0.275 4.162
548 HA LEU 75 HA LEU 75 -4.758 -1.044 2.502
549 HB2 LEU 75 HB2 LEU 75 -3.209 -2.602 3.655
550 HB3 LEU 75 HB1 LEU 75 -3.946 -2.173 5.184
551 HG LEU 75 HG LEU 75 -6.113 -3.066 4.314
552 HD11 LEU 75 HD11 LEU 75 -5.664 -2.889 1.943
553 HD12 LEU 75 HD12 LEU 75 -6.053 -4.550 2.378
554 HD13 LEU 75 HD13 LEU 75 -4.378 -4.088 2.080
555 HD21 LEU 75 HD21 LEU 75 -4.701 -4.383 5.800
556 HD22 LEU 75 HD22 LEU 75 -3.797 -4.999 4.416
557 HD23 LEU 75 HD23 LEU 75 -5.497 -5.419 4.618
558 H ASP 76 HN ASP 76 -4.572 0.227 5.754
559 HA ASP 76 HA ASP 76 -7.237 -0.124 6.567
560 HB2 ASP 76 HB2 ASP 76 -5.447 0.294 8.145
561 HB3 ASP 76 HB1 ASP 76 -5.130 1.863 7.419
562 H LEU 77 HN LEU 77 -5.527 2.632 5.208
563 HA LEU 77 HA LEU 77 -7.660 4.399 5.063
564 HB2 LEU 77 HB2 LEU 77 -5.228 4.113 3.343
565 HB3 LEU 77 HB1 LEU 77 -6.371 5.416 3.144
566 HG LEU 77 HG LEU 77 -4.595 4.892 5.531
567 HD11 LEU 77 HD11 LEU 77 -3.630 7.045 4.930
568 HD12 LEU 77 HD12 LEU 77 -4.705 7.136 3.535
569 HD13 LEU 77 HD13 LEU 77 -3.477 5.877 3.618
570 HD21 LEU 77 HD21 LEU 77 -6.676 7.042 5.138
571 HD22 LEU 77 HD22 LEU 77 -5.539 6.935 6.482
572 HD23 LEU 77 HD23 LEU 77 -6.783 5.701 6.278
573 H ILE 78 HN ILE 78 -6.558 1.987 2.706
574 HA ILE 78 HA ILE 78 -8.590 2.739 0.856
575 HB ILE 78 HB ILE 78 -6.869 0.239 0.873
576 HG12 ILE 78 HG12 ILE 78 -6.757 2.816 -0.692
577 HG13 ILE 78 HG11 ILE 78 -5.579 2.231 0.477
578 HG21 ILE 78 HG21 ILE 78 -8.979 -0.196 -0.297
579 HG22 ILE 78 HG22 ILE 78 -7.632 -0.117 -1.431
580 HG23 ILE 78 HG23 ILE 78 -8.738 1.249 -1.281
581 HD11 ILE 78 HD11 ILE 78 -4.830 1.967 -1.846
582 HD12 ILE 78 HD12 ILE 78 -6.254 0.942 -2.124
583 HD13 ILE 78 HD13 ILE 78 -4.995 0.410 -0.996
584 H ASN 79 HN ASN 79 -8.375 0.385 3.402
585 HA ASN 79 HA ASN 79 -10.710 -1.053 2.781
586 HB2 ASN 79 HB2 ASN 79 -9.226 -0.587 5.349
587 HB3 ASN 79 HB1 ASN 79 -10.806 -1.340 5.403
588 HD21 ASN 79 HD21 ASN 79 -8.455 -1.877 2.822
589 HD22 ASN 79 HD22 ASN 79 -8.111 -3.521 3.259
590 H GLY 80 HN GLY 80 -10.220 1.842 4.745
591 HA2 GLY 80 HA2 GLY 80 -12.990 2.143 5.373
592 HA3 GLY 80 HA1 GLY 80 -11.734 3.361 5.570
593 H ALA 81 HN ALA 81 -10.884 3.403 2.855
594 HA ALA 81 HA ALA 81 -12.759 5.292 1.877
595 HB1 ALA 81 HB1 ALA 81 -10.348 4.132 0.481
596 HB2 ALA 81 HB2 ALA 81 -10.349 5.557 1.520
597 HB3 ALA 81 HB3 ALA 81 -11.239 5.574 -0.003
598 H LEU 82 HN LEU 82 -11.927 1.983 0.997
599 HA LEU 82 HA LEU 82 -13.734 1.934 -1.196
600 HB2 LEU 82 HB2 LEU 82 -12.206 -0.181 0.252
601 HB3 LEU 82 HB1 LEU 82 -13.476 -0.636 -0.847
602 HG LEU 82 HG LEU 82 -10.900 0.834 -1.570
603 HD11 LEU 82 HD11 LEU 82 -10.454 -1.142 -2.858
604 HD12 LEU 82 HD12 LEU 82 -11.948 -1.882 -2.282
605 HD13 LEU 82 HD13 LEU 82 -10.643 -1.530 -1.149
606 HD21 LEU 82 HD21 LEU 82 -13.219 0.014 -3.331
607 HD22 LEU 82 HD22 LEU 82 -11.695 0.722 -3.862
608 HD23 LEU 82 HD23 LEU 82 -12.817 1.672 -2.887
609 H ALA 83 HN ALA 83 -14.100 1.442 2.214
610 HA ALA 83 HA ALA 83 -16.608 0.101 2.059
611 HB1 ALA 83 HB1 ALA 83 -15.279 0.148 4.132
612 HB2 ALA 83 HB2 ALA 83 -16.892 0.815 4.399
613 HB3 ALA 83 HB3 ALA 83 -15.507 1.896 4.229
614 H GLU 84 HN GLU 84 -15.521 3.351 1.946
615 HA GLU 84 HA GLU 84 -18.081 4.643 2.018
616 HB2 GLU 84 HB2 GLU 84 -16.118 5.754 2.861
617 HB3 GLU 84 HB1 GLU 84 -15.285 5.540 1.336
618 HG2 GLU 84 HG2 GLU 84 -16.854 7.063 0.281
619 HG3 GLU 84 HG1 GLU 84 -17.676 7.289 1.828
620 H ALA 85 HN ALA 85 -15.778 3.598 -0.390
621 HA ALA 85 HA ALA 85 -16.936 4.883 -2.615
622 HB1 ALA 85 HB1 ALA 85 -14.596 4.169 -2.564
623 HB2 ALA 85 HB2 ALA 85 -15.456 3.507 -3.954
624 HB3 ALA 85 HB3 ALA 85 -15.115 2.484 -2.556
625 H ALA 86 HN ALA 86 -17.975 3.956 -4.356
626 HA ALA 86 HA ALA 86 -19.199 1.391 -4.188
627 HB1 ALA 86 HB1 ALA 86 -21.490 2.296 -4.392
628 HB2 ALA 86 HB2 ALA 86 -20.858 3.923 -4.125
629 HB3 ALA 86 HB3 ALA 86 -20.765 2.719 -2.840
630 H28 SXM 87 H28A SXM 87 8.456 12.537 2.601
631 H28A SXM 87 H28B SXM 87 8.686 12.578 0.850
632 H30 SXM 87 H30A SXM 87 5.341 13.718 -0.040
633 H30A SXM 87 H30B SXM 87 5.929 12.053 -0.035
634 H30B SXM 87 H30C SXM 87 6.964 13.353 -0.625
635 H31 SXM 87 H31C SXM 87 5.350 11.914 2.367
636 H31A SXM 87 H31A SXM 87 4.828 13.598 2.399
637 H31B SXM 87 H31B SXM 87 6.065 13.040 3.521
638 H32 SXM 87 H32A SXM 87 6.317 15.415 1.750
639 HO33 SXM 87 H33A SXM 87 8.807 14.759 0.532
640 HN36 SXM 87 H36A SXM 87 9.068 16.276 1.898
641 H37 SXM 87 H37B SXM 87 10.730 15.540 3.867
642 H37A SXM 87 H37A SXM 87 9.443 16.318 4.779
643 H38 SXM 87 H38A SXM 87 9.803 18.391 3.555
644 H38A SXM 87 H38B SXM 87 11.273 17.865 4.362
645 HN41 SXM 87 H41A SXM 87 12.045 19.496 2.860
646 H42 SXM 87 H42A SXM 87 13.068 18.340 0.369
647 H42A SXM 87 H42B SXM 87 12.248 19.894 0.342
648 H43 SXM 87 H43A SXM 87 14.771 19.268 1.861
649 H43A SXM 87 H43B SXM 87 13.831 20.756 2.000
650 H2 SXM 87 H2A SXM 87 17.904 22.579 0.474
651 H2A SXM 87 H2B SXM 87 16.401 23.128 -0.231
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -18.421 -2.839 4.124
2 H2 MET 1 HT2 MET 1 -17.339 -3.935 4.803
3 H3 MET 1 HT3 MET 1 -18.455 -3.156 5.803
4 HA MET 1 HA MET 1 -19.150 -5.362 5.486
5 HB2 MET 1 HB2 MET 1 -20.890 -3.627 5.540
6 HB3 MET 1 HB1 MET 1 -20.784 -3.453 3.797
7 HG2 MET 1 HG2 MET 1 -21.580 -5.755 3.534
8 HG3 MET 1 HG1 MET 1 -21.711 -5.894 5.289
9 HE1 MET 1 HE1 MET 1 -25.458 -5.734 4.124
10 HE2 MET 1 HE2 MET 1 -24.254 -6.650 5.029
11 HE3 MET 1 HE3 MET 1 -24.114 -6.502 3.278
12 H ALA 2 HN ALA 2 -18.394 -3.751 2.413
13 HA ALA 2 HA ALA 2 -18.904 -6.140 0.904
14 HB1 ALA 2 HB1 ALA 2 -17.648 -3.538 0.064
15 HB2 ALA 2 HB2 ALA 2 -19.366 -3.933 -0.025
16 HB3 ALA 2 HB3 ALA 2 -18.204 -4.825 -1.008
17 H THR 3 HN THR 3 -17.135 -6.700 -0.763
18 HA THR 3 HA THR 3 -14.851 -7.691 0.599
19 HB THR 3 HB THR 3 -14.437 -8.420 -1.874
20 HG1 THR 3 HG1 THR 3 -15.748 -7.254 -3.078
21 HG21 THR 3 HG21 THR 3 -16.108 -10.221 -1.658
22 HG22 THR 3 HG22 THR 3 -16.932 -9.304 -0.397
23 HG23 THR 3 HG23 THR 3 -15.305 -9.920 -0.116
24 H LEU 4 HN LEU 4 -13.224 -6.244 1.010
25 HA LEU 4 HA LEU 4 -12.670 -4.092 -0.930
26 HB2 LEU 4 HB2 LEU 4 -11.419 -4.397 1.783
27 HB3 LEU 4 HB1 LEU 4 -11.527 -2.960 0.792
28 HG LEU 4 HG LEU 4 -13.674 -4.296 2.350
29 HD11 LEU 4 HD11 LEU 4 -12.211 -2.918 3.650
30 HD12 LEU 4 HD12 LEU 4 -13.810 -2.183 3.541
31 HD13 LEU 4 HD13 LEU 4 -12.486 -1.558 2.558
32 HD21 LEU 4 HD21 LEU 4 -15.209 -2.528 1.598
33 HD22 LEU 4 HD22 LEU 4 -14.660 -3.538 0.253
34 HD23 LEU 4 HD23 LEU 4 -13.958 -1.935 0.509
35 H LEU 5 HN LEU 5 -10.213 -3.512 -0.859
36 HA LEU 5 HA LEU 5 -8.647 -5.361 -2.076
37 HB2 LEU 5 HB2 LEU 5 -8.465 -2.704 -1.483
38 HB3 LEU 5 HB1 LEU 5 -7.457 -3.416 -0.240
39 HG LEU 5 HG LEU 5 -6.969 -4.240 -2.962
40 HD11 LEU 5 HD11 LEU 5 -6.219 -1.542 -1.796
41 HD12 LEU 5 HD12 LEU 5 -7.322 -1.834 -3.151
42 HD13 LEU 5 HD13 LEU 5 -5.601 -2.193 -3.321
43 HD21 LEU 5 HD21 LEU 5 -4.636 -4.118 -2.168
44 HD22 LEU 5 HD22 LEU 5 -5.647 -5.096 -1.092
45 HD23 LEU 5 HD23 LEU 5 -5.225 -3.437 -0.654
46 H THR 6 HN THR 6 -7.614 -7.103 -1.293
47 HA THR 6 HA THR 6 -7.770 -7.729 1.517
48 HB THR 6 HB THR 6 -6.859 -9.918 0.819
49 HG1 THR 6 HG1 THR 6 -7.125 -9.526 -1.877
50 HG21 THR 6 HG21 THR 6 -8.795 -10.605 -0.541
51 HG22 THR 6 HG22 THR 6 -9.150 -8.913 -0.892
52 HG23 THR 6 HG23 THR 6 -9.291 -9.519 0.757
53 H THR 7 HN THR 7 -5.657 -9.132 2.229
54 HA THR 7 HA THR 7 -3.517 -7.258 2.356
55 HB THR 7 HB THR 7 -3.568 -10.127 3.332
56 HG1 THR 7 HG1 THR 7 -4.465 -9.163 5.281
57 HG21 THR 7 HG21 THR 7 -2.141 -9.221 5.116
58 HG22 THR 7 HG22 THR 7 -2.268 -7.611 4.404
59 HG23 THR 7 HG23 THR 7 -1.441 -8.904 3.530
60 H ASP 8 HN ASP 8 -4.518 -9.900 0.460
61 HA ASP 8 HA ASP 8 -1.949 -10.710 -0.548
62 HB2 ASP 8 HB2 ASP 8 -4.763 -11.349 -1.439
63 HB3 ASP 8 HB1 ASP 8 -3.339 -11.935 -2.281
64 H ASP 9 HN ASP 9 -4.670 -8.781 -1.713
65 HA ASP 9 HA ASP 9 -3.557 -8.246 -4.261
66 HB2 ASP 9 HB2 ASP 9 -6.023 -7.741 -3.273
67 HB3 ASP 9 HB1 ASP 9 -5.255 -6.230 -2.889
68 H LEU 10 HN LEU 10 -3.456 -6.637 -1.168
69 HA LEU 10 HA LEU 10 -1.930 -4.385 -1.756
70 HB2 LEU 10 HB2 LEU 10 -3.026 -4.760 0.399
71 HB3 LEU 10 HB1 LEU 10 -1.961 -6.107 0.726
72 HG LEU 10 HG LEU 10 -0.046 -4.499 0.762
73 HD11 LEU 10 HD11 LEU 10 -2.223 -2.425 0.683
74 HD12 LEU 10 HD12 LEU 10 -1.009 -2.714 -0.561
75 HD13 LEU 10 HD13 LEU 10 -0.522 -2.120 1.029
76 HD21 LEU 10 HD21 LEU 10 -1.068 -5.290 2.818
77 HD22 LEU 10 HD22 LEU 10 -2.273 -4.005 2.733
78 HD23 LEU 10 HD23 LEU 10 -0.573 -3.605 2.982
79 H ARG 11 HN ARG 11 -0.893 -7.606 -0.647
80 HA ARG 11 HA ARG 11 1.834 -7.229 -0.621
81 HB2 ARG 11 HB2 ARG 11 0.990 -9.208 0.389
82 HB3 ARG 11 HB1 ARG 11 0.226 -9.738 -1.102
83 HG2 ARG 11 HG2 ARG 11 2.326 -10.294 -2.079
84 HG3 ARG 11 HG1 ARG 11 3.212 -9.488 -0.789
85 HD2 ARG 11 HD2 ARG 11 3.252 -11.947 -0.599
86 HD3 ARG 11 HD1 ARG 11 2.526 -11.160 0.794
87 HE ARG 11 HE ARG 11 0.487 -11.872 -0.995
88 HH11 ARG 11 HH11 ARG 11 2.953 -13.560 0.889
89 HH12 ARG 11 HH12 ARG 11 1.930 -14.826 1.396
90 HH21 ARG 11 HH21 ARG 11 -0.974 -13.672 -0.306
91 HH22 ARG 11 HH22 ARG 11 -0.325 -14.910 0.635
92 H ARG 12 HN ARG 12 -0.023 -8.581 -3.407
93 HA ARG 12 HA ARG 12 2.108 -9.003 -5.061
94 HB2 ARG 12 HB2 ARG 12 -0.078 -9.871 -5.482
95 HB3 ARG 12 HB1 ARG 12 -0.744 -8.256 -5.639
96 HG2 ARG 12 HG2 ARG 12 -0.532 -9.327 -7.716
97 HG3 ARG 12 HG1 ARG 12 0.526 -7.905 -7.651
98 HD2 ARG 12 HD2 ARG 12 1.764 -9.680 -8.734
99 HD3 ARG 12 HD1 ARG 12 2.422 -9.467 -7.117
100 HE ARG 12 HE ARG 12 0.549 -11.455 -6.853
101 HH11 ARG 12 HH11 ARG 12 3.499 -11.043 -8.778
102 HH12 ARG 12 HH12 ARG 12 3.813 -12.701 -8.904
103 HH21 ARG 12 HH21 ARG 12 0.932 -13.638 -7.033
104 HH22 ARG 12 HH22 ARG 12 2.269 -14.263 -7.930
105 H ALA 13 HN ALA 13 0.220 -6.008 -4.681
106 HA ALA 13 HA ALA 13 1.605 -4.632 -6.768
107 HB1 ALA 13 HB1 ALA 13 -0.656 -4.000 -6.078
108 HB2 ALA 13 HB2 ALA 13 0.459 -2.636 -5.944
109 HB3 ALA 13 HB3 ALA 13 -0.041 -3.514 -4.498
110 H LEU 14 HN LEU 14 1.918 -4.851 -3.295
111 HA LEU 14 HA LEU 14 3.762 -2.764 -2.890
112 HB2 LEU 14 HB2 LEU 14 2.265 -3.963 -1.217
113 HB3 LEU 14 HB1 LEU 14 3.437 -5.258 -1.232
114 HG LEU 14 HG LEU 14 5.144 -3.678 -0.384
115 HD11 LEU 14 HD11 LEU 14 2.796 -1.797 -0.176
116 HD12 LEU 14 HD12 LEU 14 4.175 -1.622 -1.263
117 HD13 LEU 14 HD13 LEU 14 4.409 -1.520 0.483
118 HD21 LEU 14 HD21 LEU 14 2.622 -3.885 1.258
119 HD22 LEU 14 HD22 LEU 14 4.235 -3.547 1.886
120 HD23 LEU 14 HD23 LEU 14 3.885 -5.110 1.145
121 H VAL 15 HN VAL 15 4.133 -6.258 -3.281
122 HA VAL 15 HA VAL 15 6.902 -6.497 -3.006
123 HB VAL 15 HB VAL 15 4.992 -8.170 -4.688
124 HG11 VAL 15 HG11 VAL 15 7.795 -8.817 -3.779
125 HG12 VAL 15 HG12 VAL 15 7.302 -8.485 -5.439
126 HG13 VAL 15 HG13 VAL 15 6.698 -9.920 -4.609
127 HG21 VAL 15 HG21 VAL 15 6.124 -8.596 -1.935
128 HG22 VAL 15 HG22 VAL 15 5.091 -9.726 -2.813
129 HG23 VAL 15 HG23 VAL 15 4.458 -8.155 -2.318
130 H GLU 16 HN GLU 16 4.953 -6.054 -5.943
131 HA GLU 16 HA GLU 16 7.065 -6.083 -7.727
132 HB2 GLU 16 HB2 GLU 16 4.373 -4.828 -7.918
133 HB3 GLU 16 HB1 GLU 16 5.557 -4.660 -9.205
134 HG2 GLU 16 HG2 GLU 16 5.679 -7.152 -9.286
135 HG3 GLU 16 HG1 GLU 16 4.307 -7.180 -8.172
136 H SER 17 HN SER 17 5.604 -3.224 -6.185
137 HA SER 17 HA SER 17 7.367 -1.547 -7.679
138 HB2 SER 17 HB2 SER 17 4.980 -1.014 -6.917
139 HB3 SER 17 HB1 SER 17 5.689 -0.667 -5.339
140 HG SER 17 HG SER 17 5.676 0.768 -7.630
141 H ALA 18 HN ALA 18 7.859 -3.416 -5.006
142 HA ALA 18 HA ALA 18 9.759 -1.722 -3.616
143 HB1 ALA 18 HB1 ALA 18 8.471 -3.416 -2.413
144 HB2 ALA 18 HB2 ALA 18 10.204 -3.723 -2.287
145 HB3 ALA 18 HB3 ALA 18 9.215 -4.678 -3.392
146 H GLY 19 HN GLY 19 9.869 -2.841 -6.512
147 HA2 GLY 19 HA2 GLY 19 12.589 -2.575 -6.876
148 HA3 GLY 19 HA1 GLY 19 12.180 -4.297 -6.892
149 H GLU 20 HN GLU 20 12.326 -4.722 -8.995
150 HA GLU 20 HA GLU 20 10.478 -3.259 -10.735
151 HB2 GLU 20 HB2 GLU 20 12.878 -2.949 -11.247
152 HB3 GLU 20 HB1 GLU 20 13.037 -4.687 -11.429
153 HG2 GLU 20 HG2 GLU 20 11.427 -4.592 -13.285
154 HG3 GLU 20 HG1 GLU 20 11.418 -2.831 -13.138
155 H THR 21 HN THR 21 8.729 -4.540 -10.698
156 HA THR 21 HA THR 21 7.345 -6.308 -10.942
157 HB THR 21 HB THR 21 9.568 -7.485 -12.630
158 HG1 THR 21 HG1 THR 21 7.665 -5.445 -13.022
159 HG21 THR 21 HG21 THR 21 7.678 -9.008 -12.190
160 HG22 THR 21 HG22 THR 21 7.706 -8.509 -13.880
161 HG23 THR 21 HG23 THR 21 6.553 -7.776 -12.762
162 H ASP 22 HN ASP 22 7.500 -6.776 -8.807
163 HA ASP 22 HA ASP 22 7.739 -7.940 -6.919
164 HB2 ASP 22 HB2 ASP 22 8.576 -10.239 -8.722
165 HB3 ASP 22 HB1 ASP 22 8.225 -10.396 -7.006
166 H GLY 23 HN GLY 23 9.290 -6.462 -6.404
167 HA2 GLY 23 HA2 GLY 23 12.082 -7.119 -6.874
168 HA3 GLY 23 HA1 GLY 23 11.421 -5.642 -6.160
169 H THR 24 HN THR 24 9.957 -6.491 -4.117
170 HA THR 24 HA THR 24 11.705 -8.106 -2.430
171 HB THR 24 HB THR 24 10.559 -5.381 -1.704
172 HG1 THR 24 HG1 THR 24 12.295 -4.752 -2.769
173 HG21 THR 24 HG21 THR 24 11.905 -5.607 0.347
174 HG22 THR 24 HG22 THR 24 12.421 -7.211 -0.170
175 HG23 THR 24 HG23 THR 24 10.727 -6.913 0.215
176 H ASP 25 HN ASP 25 10.310 -9.724 -2.038
177 HA ASP 25 HA ASP 25 7.492 -9.463 -1.981
178 HB2 ASP 25 HB2 ASP 25 8.448 -11.568 -2.624
179 HB3 ASP 25 HB1 ASP 25 9.322 -11.694 -1.101
180 H LEU 26 HN LEU 26 6.085 -9.584 -0.296
181 HA LEU 26 HA LEU 26 7.165 -9.206 2.381
182 HB2 LEU 26 HB2 LEU 26 4.883 -7.633 1.157
183 HB3 LEU 26 HB1 LEU 26 5.184 -7.706 2.871
184 HG LEU 26 HG LEU 26 5.979 -5.647 2.188
185 HD11 LEU 26 HD11 LEU 26 7.495 -6.702 3.673
186 HD12 LEU 26 HD12 LEU 26 8.381 -5.686 2.531
187 HD13 LEU 26 HD13 LEU 26 8.363 -7.441 2.326
188 HD21 LEU 26 HD21 LEU 26 7.508 -5.267 0.308
189 HD22 LEU 26 HD22 LEU 26 5.969 -5.961 -0.204
190 HD23 LEU 26 HD23 LEU 26 7.404 -6.981 -0.101
191 H SER 27 HN SER 27 6.769 -11.428 2.539
192 HA SER 27 HA SER 27 3.927 -12.015 2.904
193 HB2 SER 27 HB2 SER 27 6.195 -13.935 2.377
194 HB3 SER 27 HB1 SER 27 4.506 -14.399 2.629
195 HG SER 27 HG SER 27 5.698 -12.985 0.505
196 H GLY 28 HN GLY 28 3.323 -13.283 4.713
197 HA2 GLY 28 HA2 GLY 28 3.685 -14.183 6.863
198 HA3 GLY 28 HA1 GLY 28 5.222 -13.307 6.945
199 H ASP 29 HN ASP 29 4.906 -11.985 8.672
200 HA ASP 29 HA ASP 29 2.463 -10.372 8.562
201 HB2 ASP 29 HB2 ASP 29 3.044 -11.518 10.762
202 HB3 ASP 29 HB1 ASP 29 4.419 -10.423 10.861
203 H PHE 30 HN PHE 30 2.981 -9.027 7.054
204 HA PHE 30 HA PHE 30 5.389 -7.417 7.421
205 HB2 PHE 30 HB2 PHE 30 5.125 -6.749 5.078
206 HB3 PHE 30 HB1 PHE 30 5.209 -8.495 5.235
207 HD1 PHE 30 HD2 PHE 30 3.028 -9.814 5.069
208 HD2 PHE 30 HD1 PHE 30 3.335 -5.702 4.013
209 HE1 PHE 30 HE2 PHE 30 0.976 -10.003 3.734
210 HE2 PHE 30 HE1 PHE 30 1.284 -5.889 2.677
211 HZ PHE 30 HZ PHE 30 0.104 -8.038 2.532
212 H LEU 31 HN LEU 31 2.428 -7.311 8.508
213 HA LEU 31 HA LEU 31 1.541 -4.768 7.528
214 HB2 LEU 31 HB2 LEU 31 0.539 -6.390 9.873
215 HB3 LEU 31 HB1 LEU 31 -0.206 -4.919 9.294
216 HG LEU 31 HG LEU 31 -1.532 -6.646 8.504
217 HD11 LEU 31 HD11 LEU 31 0.237 -5.828 6.228
218 HD12 LEU 31 HD12 LEU 31 -1.187 -4.982 6.834
219 HD13 LEU 31 HD13 LEU 31 -1.358 -6.563 6.068
220 HD21 LEU 31 HD21 LEU 31 -0.726 -8.596 7.245
221 HD22 LEU 31 HD22 LEU 31 -0.078 -8.520 8.885
222 HD23 LEU 31 HD23 LEU 31 0.939 -8.062 7.516
223 H ASP 32 HN ASP 32 3.152 -5.983 10.366
224 HA ASP 32 HA ASP 32 3.425 -3.259 11.387
225 HB2 ASP 32 HB2 ASP 32 4.090 -5.941 12.606
226 HB3 ASP 32 HB1 ASP 32 4.662 -4.435 13.309
227 H LEU 33 HN LEU 33 4.865 -4.633 8.992
228 HA LEU 33 HA LEU 33 7.595 -4.257 9.835
229 HB2 LEU 33 HB2 LEU 33 6.760 -6.236 8.422
230 HB3 LEU 33 HB1 LEU 33 6.501 -5.064 7.145
231 HG LEU 33 HG LEU 33 8.786 -4.567 7.023
232 HD11 LEU 33 HD11 LEU 33 9.438 -4.922 9.373
233 HD12 LEU 33 HD12 LEU 33 10.462 -5.889 8.310
234 HD13 LEU 33 HD13 LEU 33 9.146 -6.651 9.202
235 HD21 LEU 33 HD21 LEU 33 7.925 -6.380 5.670
236 HD22 LEU 33 HD22 LEU 33 8.224 -7.528 6.974
237 HD23 LEU 33 HD23 LEU 33 9.579 -6.741 6.164
238 H ARG 34 HN ARG 34 8.273 -2.266 9.766
239 HA ARG 34 HA ARG 34 6.763 -0.149 8.618
240 HB2 ARG 34 HB2 ARG 34 9.531 -0.107 9.818
241 HB3 ARG 34 HB1 ARG 34 8.499 1.290 9.532
242 HG2 ARG 34 HG2 ARG 34 6.834 0.339 11.092
243 HG3 ARG 34 HG1 ARG 34 7.951 -0.982 11.431
244 HD2 ARG 34 HD2 ARG 34 8.021 0.788 13.155
245 HD3 ARG 34 HD1 ARG 34 9.574 0.583 12.342
246 HE ARG 34 HE ARG 34 9.454 2.715 11.739
247 HH11 ARG 34 HH11 ARG 34 6.076 1.725 12.419
248 HH12 ARG 34 HH12 ARG 34 5.410 3.142 11.756
249 HH21 ARG 34 HH21 ARG 34 8.435 4.719 10.872
250 HH22 ARG 34 HH22 ARG 34 6.724 4.817 10.922
251 H PHE 35 HN PHE 35 6.994 0.936 6.730
252 HA PHE 35 HA PHE 35 8.424 -0.160 4.599
253 HB2 PHE 35 HB2 PHE 35 7.202 2.566 4.921
254 HB3 PHE 35 HB1 PHE 35 8.006 2.070 3.443
255 HD1 PHE 35 HD2 PHE 35 7.173 -0.539 2.884
256 HD2 PHE 35 HD1 PHE 35 4.940 2.587 4.685
257 HE1 PHE 35 HE2 PHE 35 5.102 -1.558 2.063
258 HE2 PHE 35 HE1 PHE 35 2.866 1.576 3.868
259 HZ PHE 35 HZ PHE 35 2.941 -0.497 2.548
260 H GLU 36 HN GLU 36 9.250 2.570 6.619
261 HA GLU 36 HA GLU 36 11.575 3.422 5.379
262 HB2 GLU 36 HB2 GLU 36 12.215 4.236 7.678
263 HB3 GLU 36 HB1 GLU 36 10.631 4.746 7.105
264 HG2 GLU 36 HG2 GLU 36 9.553 3.071 8.466
265 HG3 GLU 36 HG1 GLU 36 11.114 2.427 8.963
266 H ASP 37 HN ASP 37 11.042 0.641 7.385
267 HA ASP 37 HA ASP 37 13.843 0.140 7.867
268 HB2 ASP 37 HB2 ASP 37 12.253 -0.496 9.580
269 HB3 ASP 37 HB1 ASP 37 11.371 -1.503 8.436
270 H ILE 38 HN ILE 38 11.326 -0.946 5.715
271 HA ILE 38 HA ILE 38 13.093 -2.998 4.671
272 HB ILE 38 HB ILE 38 11.100 -3.824 3.407
273 HG12 ILE 38 HG12 ILE 38 9.654 -1.750 5.088
274 HG13 ILE 38 HG11 ILE 38 9.807 -1.728 3.336
275 HG21 ILE 38 HG21 ILE 38 10.003 -4.745 5.441
276 HG22 ILE 38 HG22 ILE 38 10.938 -3.604 6.401
277 HG23 ILE 38 HG23 ILE 38 11.765 -4.849 5.467
278 HD11 ILE 38 HD11 ILE 38 7.602 -2.471 4.024
279 HD12 ILE 38 HD12 ILE 38 8.316 -3.779 4.965
280 HD13 ILE 38 HD13 ILE 38 8.465 -3.774 3.206
281 H GLY 39 HN GLY 39 13.490 -0.188 4.096
282 HA2 GLY 39 HA2 GLY 39 14.399 1.003 2.352
283 HA3 GLY 39 HA1 GLY 39 14.450 -0.512 1.471
284 H TYR 40 HN TYR 40 11.757 1.535 2.616
285 HA TYR 40 HA TYR 40 10.854 1.638 -0.156
286 HB2 TYR 40 HB2 TYR 40 9.393 1.448 2.401
287 HB3 TYR 40 HB1 TYR 40 8.678 2.407 1.122
288 HD1 TYR 40 HD1 TYR 40 10.066 -0.972 1.819
289 HD2 TYR 40 HD2 TYR 40 7.401 1.386 -0.496
290 HE1 TYR 40 HE1 TYR 40 9.084 -3.015 0.885
291 HE2 TYR 40 HE2 TYR 40 6.410 -0.629 -1.447
292 HH TYR 40 HH TYR 40 6.946 -3.021 -1.781
293 H ASP 41 HN ASP 41 11.327 3.427 -1.048
294 HA ASP 41 HA ASP 41 11.290 5.953 0.411
295 HB2 ASP 41 HB2 ASP 41 13.054 5.616 -1.300
296 HB3 ASP 41 HB1 ASP 41 11.824 5.300 -2.517
297 H SER 42 HN SER 42 9.766 7.636 -0.256
298 HA SER 42 HA SER 42 7.202 6.628 -0.494
299 HB2 SER 42 HB2 SER 42 6.569 9.029 -0.896
300 HB3 SER 42 HB1 SER 42 7.424 8.693 0.611
301 H LEU 43 HN LEU 43 9.438 7.526 -3.036
302 HA LEU 43 HA LEU 43 7.577 7.928 -5.100
303 HB2 LEU 43 HB2 LEU 43 9.975 8.312 -5.403
304 HB3 LEU 43 HB1 LEU 43 10.282 6.595 -5.259
305 HG LEU 43 HG LEU 43 8.900 6.250 -7.316
306 HD11 LEU 43 HD11 LEU 43 7.605 8.281 -7.278
307 HD12 LEU 43 HD12 LEU 43 8.505 8.153 -8.789
308 HD13 LEU 43 HD13 LEU 43 9.061 9.248 -7.522
309 HD21 LEU 43 HD21 LEU 43 11.326 6.236 -7.403
310 HD22 LEU 43 HD22 LEU 43 11.344 7.990 -7.587
311 HD23 LEU 43 HD23 LEU 43 10.660 6.978 -8.858
312 H ALA 44 HN ALA 44 9.094 4.947 -3.962
313 HA ALA 44 HA ALA 44 7.693 3.250 -5.776
314 HB1 ALA 44 HB1 ALA 44 9.093 2.551 -3.187
315 HB2 ALA 44 HB2 ALA 44 9.843 2.603 -4.781
316 HB3 ALA 44 HB3 ALA 44 8.597 1.408 -4.438
317 H LEU 45 HN LEU 45 7.176 4.425 -2.572
318 HA LEU 45 HA LEU 45 5.062 2.718 -1.842
319 HB2 LEU 45 HB2 LEU 45 6.399 4.031 -0.259
320 HB3 LEU 45 HB1 LEU 45 5.710 5.506 -0.897
321 HG LEU 45 HG LEU 45 3.516 4.874 -0.042
322 HD11 LEU 45 HD11 LEU 45 3.275 2.902 1.384
323 HD12 LEU 45 HD12 LEU 45 4.940 2.439 1.032
324 HD13 LEU 45 HD13 LEU 45 3.738 2.451 -0.257
325 HD21 LEU 45 HD21 LEU 45 4.031 5.047 2.333
326 HD22 LEU 45 HD22 LEU 45 5.032 6.148 1.381
327 HD23 LEU 45 HD23 LEU 45 5.717 4.645 2.006
328 H MET 46 HN MET 46 5.111 5.954 -3.278
329 HA MET 46 HA MET 46 2.318 6.362 -3.517
330 HB2 MET 46 HB2 MET 46 4.577 7.401 -5.236
331 HB3 MET 46 HB1 MET 46 2.921 7.968 -5.330
332 HG2 MET 46 HG2 MET 46 4.646 8.130 -2.891
333 HG3 MET 46 HG1 MET 46 4.466 9.420 -4.069
334 HE1 MET 46 HE1 MET 46 3.816 11.019 -2.072
335 HE2 MET 46 HE2 MET 46 3.992 9.678 -0.941
336 HE3 MET 46 HE3 MET 46 2.534 10.674 -0.910
337 H GLU 47 HN GLU 47 4.731 5.027 -5.641
338 HA GLU 47 HA GLU 47 3.248 4.558 -7.947
339 HB2 GLU 47 HB2 GLU 47 5.762 4.439 -7.269
340 HB3 GLU 47 HB1 GLU 47 5.431 2.750 -6.946
341 HG2 GLU 47 HG2 GLU 47 5.155 4.155 -9.600
342 HG3 GLU 47 HG1 GLU 47 6.451 3.071 -9.131
343 H THR 48 HN THR 48 3.845 2.524 -5.100
344 HA THR 48 HA THR 48 2.345 0.244 -5.807
345 HB THR 48 HB THR 48 2.846 1.406 -3.041
346 HG1 THR 48 HG1 THR 48 4.799 0.945 -4.260
347 HG21 THR 48 HG21 THR 48 2.545 -0.906 -2.257
348 HG22 THR 48 HG22 THR 48 2.163 -1.409 -3.904
349 HG23 THR 48 HG23 THR 48 1.090 -0.298 -3.052
350 H ALA 49 HN ALA 49 1.489 2.986 -3.687
351 HA ALA 49 HA ALA 49 -1.133 2.286 -3.116
352 HB1 ALA 49 HB1 ALA 49 0.017 5.071 -3.275
353 HB2 ALA 49 HB2 ALA 49 0.128 3.991 -1.886
354 HB3 ALA 49 HB3 ALA 49 -1.446 4.593 -2.411
355 H ALA 50 HN ALA 50 0.080 4.404 -5.691
356 HA ALA 50 HA ALA 50 -2.305 5.349 -6.722
357 HB1 ALA 50 HB1 ALA 50 0.213 4.706 -8.246
358 HB2 ALA 50 HB2 ALA 50 -0.093 6.190 -7.341
359 HB3 ALA 50 HB3 ALA 50 -1.067 5.806 -8.761
360 H ARG 51 HN ARG 51 -0.609 2.397 -7.435
361 HA ARG 51 HA ARG 51 -2.138 1.472 -9.596
362 HB2 ARG 51 HB2 ARG 51 0.050 0.605 -8.994
363 HB3 ARG 51 HB1 ARG 51 -0.579 0.010 -7.473
364 HG2 ARG 51 HG2 ARG 51 -1.911 -1.642 -8.651
365 HG3 ARG 51 HG1 ARG 51 -1.348 -0.999 -10.205
366 HD2 ARG 51 HD2 ARG 51 0.940 -1.509 -9.623
367 HD3 ARG 51 HD1 ARG 51 0.431 -2.077 -8.038
368 HE ARG 51 HE ARG 51 -0.948 -3.675 -9.662
369 HH11 ARG 51 HH11 ARG 51 2.480 -2.702 -9.824
370 HH12 ARG 51 HH12 ARG 51 3.014 -4.251 -10.337
371 HH21 ARG 51 HH21 ARG 51 -0.168 -5.781 -10.347
372 HH22 ARG 51 HH22 ARG 51 1.518 -6.037 -10.533
373 H LEU 52 HN LEU 52 -2.419 0.940 -6.120
374 HA LEU 52 HA LEU 52 -4.700 -0.758 -6.315
375 HB2 LEU 52 HB2 LEU 52 -3.696 0.851 -3.971
376 HB3 LEU 52 HB1 LEU 52 -4.948 -0.365 -3.888
377 HG LEU 52 HG LEU 52 -2.023 -0.816 -4.469
378 HD11 LEU 52 HD11 LEU 52 -2.555 -0.379 -2.138
379 HD12 LEU 52 HD12 LEU 52 -2.119 -2.079 -2.363
380 HD13 LEU 52 HD13 LEU 52 -3.813 -1.612 -2.188
381 HD21 LEU 52 HD21 LEU 52 -3.403 -2.343 -5.806
382 HD22 LEU 52 HD22 LEU 52 -4.286 -2.813 -4.354
383 HD23 LEU 52 HD23 LEU 52 -2.573 -3.202 -4.507
384 H GLU 53 HN GLU 53 -4.229 2.660 -5.548
385 HA GLU 53 HA GLU 53 -6.803 3.435 -4.952
386 HB2 GLU 53 HB2 GLU 53 -4.823 5.033 -6.520
387 HB3 GLU 53 HB1 GLU 53 -6.251 5.637 -5.728
388 HG2 GLU 53 HG2 GLU 53 -5.333 5.180 -3.569
389 HG3 GLU 53 HG1 GLU 53 -3.905 4.431 -4.306
390 H SER 54 HN SER 54 -5.206 3.610 -8.107
391 HA SER 54 HA SER 54 -7.395 4.741 -9.440
392 HB2 SER 54 HB2 SER 54 -5.120 3.155 -10.626
393 HB3 SER 54 HB1 SER 54 -6.134 4.332 -11.464
394 HG SER 54 HG SER 54 -4.217 4.735 -9.443
395 H ARG 55 HN ARG 55 -6.450 1.400 -8.942
396 HA ARG 55 HA ARG 55 -8.337 0.336 -10.773
397 HB2 ARG 55 HB2 ARG 55 -6.371 -0.936 -10.145
398 HB3 ARG 55 HB1 ARG 55 -6.866 -0.935 -8.461
399 HG2 ARG 55 HG2 ARG 55 -8.809 -2.301 -9.029
400 HG3 ARG 55 HG1 ARG 55 -8.312 -2.296 -10.724
401 HD2 ARG 55 HD2 ARG 55 -6.287 -3.470 -10.181
402 HD3 ARG 55 HD1 ARG 55 -6.636 -3.341 -8.455
403 HE ARG 55 HE ARG 55 -8.544 -4.732 -10.165
404 HH11 ARG 55 HH11 ARG 55 -5.857 -5.011 -7.875
405 HH12 ARG 55 HH12 ARG 55 -6.335 -6.488 -7.227
406 HH21 ARG 55 HH21 ARG 55 -9.202 -6.856 -9.314
407 HH22 ARG 55 HH22 ARG 55 -8.250 -7.574 -8.088
408 H TYR 56 HN TYR 56 -8.311 0.669 -7.222
409 HA TYR 56 HA TYR 56 -10.948 -0.455 -7.082
410 HB2 TYR 56 HB2 TYR 56 -9.049 0.495 -4.959
411 HB3 TYR 56 HB1 TYR 56 -10.696 -0.014 -4.589
412 HD1 TYR 56 HD2 TYR 56 -7.600 -1.218 -6.294
413 HD2 TYR 56 HD1 TYR 56 -11.146 -2.251 -4.197
414 HE1 TYR 56 HE2 TYR 56 -6.893 -3.564 -6.264
415 HE2 TYR 56 HE1 TYR 56 -10.449 -4.606 -4.165
416 HH TYR 56 HH TYR 56 -7.261 -5.507 -5.140
417 H GLY 57 HN GLY 57 -9.820 2.675 -7.503
418 HA2 GLY 57 HA2 GLY 57 -11.178 4.496 -7.987
419 HA3 GLY 57 HA1 GLY 57 -12.551 3.623 -7.318
420 H VAL 58 HN VAL 58 -9.436 4.319 -5.845
421 HA VAL 58 HA VAL 58 -10.858 6.035 -3.957
422 HB VAL 58 HB VAL 58 -9.475 5.322 -2.069
423 HG11 VAL 58 HG11 VAL 58 -10.664 3.001 -3.501
424 HG12 VAL 58 HG12 VAL 58 -11.534 4.123 -2.440
425 HG13 VAL 58 HG13 VAL 58 -10.282 3.044 -1.781
426 HG21 VAL 58 HG21 VAL 58 -7.445 4.713 -3.322
427 HG22 VAL 58 HG22 VAL 58 -8.291 3.251 -3.892
428 HG23 VAL 58 HG23 VAL 58 -7.947 3.465 -2.179
429 H SER 59 HN SER 59 -9.156 7.354 -2.627
430 HA SER 59 HA SER 59 -6.897 8.070 -4.276
431 HB2 SER 59 HB2 SER 59 -9.020 10.047 -3.418
432 HB3 SER 59 HB1 SER 59 -7.480 10.462 -4.178
433 HG SER 59 HG SER 59 -8.675 8.576 -5.622
434 H ILE 60 HN ILE 60 -5.262 8.104 -3.036
435 HA ILE 60 HA ILE 60 -5.536 8.885 -0.209
436 HB ILE 60 HB ILE 60 -3.251 7.326 -1.491
437 HG12 ILE 60 HG12 ILE 60 -5.261 5.929 -1.638
438 HG13 ILE 60 HG11 ILE 60 -4.148 5.277 -0.447
439 HG21 ILE 60 HG21 ILE 60 -2.616 6.753 0.811
440 HG22 ILE 60 HG22 ILE 60 -3.966 7.715 1.416
441 HG23 ILE 60 HG23 ILE 60 -2.641 8.497 0.552
442 HD11 ILE 60 HD11 ILE 60 -5.534 6.207 1.346
443 HD12 ILE 60 HD12 ILE 60 -6.448 5.118 0.296
444 HD13 ILE 60 HD13 ILE 60 -6.642 6.863 0.135
445 HA PRO 61 HA PRO 61 -3.680 12.604 -2.203
446 HB2 PRO 61 HB2 PRO 61 -3.685 13.344 0.696
447 HB3 PRO 61 HB1 PRO 61 -4.206 14.295 -0.702
448 HG2 PRO 61 HG2 PRO 61 -6.012 13.198 0.875
449 HG3 PRO 61 HG1 PRO 61 -6.228 13.156 -0.886
450 HD2 PRO 61 HD2 PRO 61 -5.357 10.979 0.967
451 HD3 PRO 61 HD1 PRO 61 -6.414 10.893 -0.456
452 H ASP 62 HN ASP 62 -1.556 13.461 -2.188
453 HA ASP 62 HA ASP 62 0.395 11.524 -1.567
454 HB2 ASP 62 HB2 ASP 62 2.096 13.045 -2.391
455 HB3 ASP 62 HB1 ASP 62 0.693 13.099 -3.443
456 H ASP 63 HN ASP 63 -0.631 14.296 0.258
457 HA ASP 63 HA ASP 63 1.537 14.185 2.106
458 HB2 ASP 63 HB2 ASP 63 0.215 16.206 2.003
459 HB3 ASP 63 HB1 ASP 63 -1.244 15.318 2.442
460 H VAL 64 HN VAL 64 -1.470 12.555 1.837
461 HA VAL 64 HA VAL 64 -1.360 11.401 4.488
462 HB VAL 64 HB VAL 64 -3.205 10.730 2.165
463 HG11 VAL 64 HG11 VAL 64 -4.694 9.815 3.882
464 HG12 VAL 64 HG12 VAL 64 -3.481 10.160 5.113
465 HG13 VAL 64 HG13 VAL 64 -3.142 8.977 3.850
466 HG21 VAL 64 HG21 VAL 64 -4.854 12.176 3.271
467 HG22 VAL 64 HG22 VAL 64 -3.418 13.073 2.774
468 HG23 VAL 64 HG23 VAL 64 -3.639 12.634 4.467
469 H ALA 65 HN ALA 65 -0.860 10.423 1.143
470 HA ALA 65 HA ALA 65 -0.252 7.715 1.634
471 HB1 ALA 65 HB1 ALA 65 -0.885 8.547 -0.587
472 HB2 ALA 65 HB2 ALA 65 0.664 7.691 -0.624
473 HB3 ALA 65 HB3 ALA 65 0.632 9.449 -0.669
474 H GLY 66 HN GLY 66 1.680 10.642 1.699
475 HA2 GLY 66 HA2 GLY 66 4.182 9.276 1.900
476 HA3 GLY 66 HA1 GLY 66 3.894 10.969 2.293
477 H ARG 67 HN ARG 67 1.583 9.555 3.937
478 HA ARG 67 HA ARG 67 3.204 9.085 6.308
479 HB2 ARG 67 HB2 ARG 67 0.479 10.305 6.008
480 HB3 ARG 67 HB1 ARG 67 1.064 9.698 7.548
481 HG2 ARG 67 HG2 ARG 67 2.953 11.248 7.431
482 HG3 ARG 67 HG1 ARG 67 2.331 11.870 5.898
483 HD2 ARG 67 HD2 ARG 67 0.761 11.873 8.460
484 HD3 ARG 67 HD1 ARG 67 1.764 13.224 7.940
485 HE ARG 67 HE ARG 67 0.347 13.310 5.942
486 HH11 ARG 67 HH11 ARG 67 -1.036 11.570 8.693
487 HH12 ARG 67 HH12 ARG 67 -2.595 12.218 8.534
488 HH21 ARG 67 HH21 ARG 67 -1.779 14.198 5.694
489 HH22 ARG 67 HH22 ARG 67 -3.085 13.702 6.695
490 H VAL 68 HN VAL 68 1.973 7.202 4.082
491 HA VAL 68 HA VAL 68 0.511 5.533 5.908
492 HB VAL 68 HB VAL 68 0.279 3.820 4.089
493 HG11 VAL 68 HG11 VAL 68 -1.191 5.115 2.628
494 HG12 VAL 68 HG12 VAL 68 -0.520 6.599 3.310
495 HG13 VAL 68 HG13 VAL 68 -1.417 5.484 4.336
496 HG21 VAL 68 HG21 VAL 68 0.871 4.380 1.792
497 HG22 VAL 68 HG22 VAL 68 2.317 4.234 2.802
498 HG23 VAL 68 HG23 VAL 68 1.699 5.829 2.348
499 H ASP 69 HN ASP 69 1.932 5.554 7.332
500 HA ASP 69 HA ASP 69 4.530 4.969 7.643
501 HB2 ASP 69 HB2 ASP 69 2.904 5.776 9.320
502 HB3 ASP 69 HB1 ASP 69 2.301 4.143 9.487
503 H THR 70 HN THR 70 1.967 2.502 7.695
504 HA THR 70 HA THR 70 4.015 0.465 7.226
505 HB THR 70 HB THR 70 2.580 -1.074 8.589
506 HG1 THR 70 HG1 THR 70 1.178 0.252 10.128
507 HG21 THR 70 HG21 THR 70 4.577 -0.052 9.602
508 HG22 THR 70 HG22 THR 70 3.292 -0.214 10.801
509 HG23 THR 70 HG23 THR 70 3.620 1.357 10.063
510 HA PRO 71 HA PRO 71 1.333 -1.012 3.904
511 HB2 PRO 71 HB2 PRO 71 1.293 -3.667 5.284
512 HB3 PRO 71 HB1 PRO 71 1.694 -3.287 3.602
513 HG2 PRO 71 HG2 PRO 71 3.629 -3.869 5.291
514 HG3 PRO 71 HG1 PRO 71 3.828 -2.524 4.149
515 HD2 PRO 71 HD2 PRO 71 3.164 -2.446 7.070
516 HD3 PRO 71 HD1 PRO 71 4.278 -1.418 6.140
517 H ARG 72 HN ARG 72 0.630 -1.843 7.209
518 HA ARG 72 HA ARG 72 -2.084 -2.435 7.090
519 HB2 ARG 72 HB2 ARG 72 -0.864 -2.761 9.128
520 HB3 ARG 72 HB1 ARG 72 -0.450 -1.055 9.215
521 HG2 ARG 72 HG2 ARG 72 -2.768 -0.484 9.631
522 HG3 ARG 72 HG1 ARG 72 -3.236 -2.179 9.462
523 HD2 ARG 72 HD2 ARG 72 -1.337 -1.084 11.527
524 HD3 ARG 72 HD1 ARG 72 -3.029 -1.505 11.813
525 HE ARG 72 HE ARG 72 -2.336 -3.790 11.021
526 HH11 ARG 72 HH11 ARG 72 0.000 -1.651 12.607
527 HH12 ARG 72 HH12 ARG 72 0.860 -2.947 13.338
528 HH21 ARG 72 HH21 ARG 72 -1.208 -5.501 12.064
529 HH22 ARG 72 HH22 ARG 72 0.185 -5.161 13.004
530 H GLU 73 HN GLU 73 -0.465 0.680 7.663
531 HA GLU 73 HA GLU 73 -2.728 2.288 7.777
532 HB2 GLU 73 HB2 GLU 73 0.033 2.981 6.767
533 HB3 GLU 73 HB1 GLU 73 -1.228 4.160 7.094
534 HG2 GLU 73 HG2 GLU 73 -0.024 2.290 9.119
535 HG3 GLU 73 HG1 GLU 73 0.407 3.986 8.905
536 H LEU 74 HN LEU 74 -0.793 1.397 4.963
537 HA LEU 74 HA LEU 74 -2.127 2.994 3.063
538 HB2 LEU 74 HB2 LEU 74 0.091 1.542 2.914
539 HB3 LEU 74 HB1 LEU 74 -1.021 0.306 2.363
540 HG LEU 74 HG LEU 74 -0.669 2.959 0.966
541 HD11 LEU 74 HD11 LEU 74 0.571 0.285 0.345
542 HD12 LEU 74 HD12 LEU 74 1.412 1.732 0.907
543 HD13 LEU 74 HD13 LEU 74 0.649 1.718 -0.680
544 HD21 LEU 74 HD21 LEU 74 -1.953 0.374 0.059
545 HD22 LEU 74 HD22 LEU 74 -1.767 1.833 -0.913
546 HD23 LEU 74 HD23 LEU 74 -2.812 1.848 0.508
547 H LEU 75 HN LEU 75 -2.614 -0.437 3.926
548 HA LEU 75 HA LEU 75 -4.836 -0.800 2.211
549 HB2 LEU 75 HB2 LEU 75 -3.509 -2.692 2.921
550 HB3 LEU 75 HB1 LEU 75 -3.898 -2.385 4.599
551 HG LEU 75 HG LEU 75 -6.244 -2.993 4.175
552 HD11 LEU 75 HD11 LEU 75 -6.930 -3.979 2.079
553 HD12 LEU 75 HD12 LEU 75 -5.341 -3.674 1.374
554 HD13 LEU 75 HD13 LEU 75 -6.388 -2.329 1.836
555 HD21 LEU 75 HD21 LEU 75 -5.895 -5.385 3.815
556 HD22 LEU 75 HD22 LEU 75 -4.681 -4.713 4.907
557 HD23 LEU 75 HD23 LEU 75 -4.265 -5.057 3.226
558 H ASP 76 HN ASP 76 -4.530 0.215 5.536
559 HA ASP 76 HA ASP 76 -7.241 -0.200 6.266
560 HB2 ASP 76 HB2 ASP 76 -5.457 -0.114 7.929
561 HB3 ASP 76 HB1 ASP 76 -5.126 1.559 7.508
562 H LEU 77 HN LEU 77 -5.416 2.566 5.120
563 HA LEU 77 HA LEU 77 -7.525 4.416 5.275
564 HB2 LEU 77 HB2 LEU 77 -5.154 4.328 3.426
565 HB3 LEU 77 HB1 LEU 77 -6.240 5.690 3.569
566 HG LEU 77 HG LEU 77 -4.394 4.624 5.697
567 HD11 LEU 77 HD11 LEU 77 -3.295 6.788 5.469
568 HD12 LEU 77 HD12 LEU 77 -4.402 7.210 4.166
569 HD13 LEU 77 HD13 LEU 77 -3.265 5.881 3.960
570 HD21 LEU 77 HD21 LEU 77 -5.141 6.518 7.062
571 HD22 LEU 77 HD22 LEU 77 -6.467 5.409 6.707
572 HD23 LEU 77 HD23 LEU 77 -6.333 6.931 5.829
573 H ILE 78 HN ILE 78 -6.491 2.199 2.742
574 HA ILE 78 HA ILE 78 -8.452 3.061 0.894
575 HB ILE 78 HB ILE 78 -6.845 0.483 0.992
576 HG12 ILE 78 HG12 ILE 78 -6.664 3.001 -0.656
577 HG13 ILE 78 HG11 ILE 78 -5.492 2.408 0.522
578 HG21 ILE 78 HG21 ILE 78 -7.611 0.042 -1.288
579 HG22 ILE 78 HG22 ILE 78 -8.700 1.428 -1.192
580 HG23 ILE 78 HG23 ILE 78 -8.955 0.033 -0.146
581 HD11 ILE 78 HD11 ILE 78 -6.275 1.048 -1.996
582 HD12 ILE 78 HD12 ILE 78 -4.940 0.565 -0.917
583 HD13 ILE 78 HD13 ILE 78 -4.846 2.076 -1.852
584 H ASN 79 HN ASN 79 -8.363 0.589 3.361
585 HA ASN 79 HA ASN 79 -10.883 -0.519 2.738
586 HB2 ASN 79 HB2 ASN 79 -9.128 -0.631 5.146
587 HB3 ASN 79 HB1 ASN 79 -10.779 -1.207 5.278
588 HD21 ASN 79 HD21 ASN 79 -8.948 -1.511 2.331
589 HD22 ASN 79 HD22 ASN 79 -8.727 -3.223 2.413
590 H GLY 80 HN GLY 80 -9.948 2.284 4.495
591 HA2 GLY 80 HA2 GLY 80 -12.487 2.738 5.707
592 HA3 GLY 80 HA1 GLY 80 -11.196 3.919 5.503
593 H ALA 81 HN ALA 81 -10.889 3.786 2.757
594 HA ALA 81 HA ALA 81 -13.009 5.500 1.917
595 HB1 ALA 81 HB1 ALA 81 -10.726 4.334 0.327
596 HB2 ALA 81 HB2 ALA 81 -10.693 5.857 1.213
597 HB3 ALA 81 HB3 ALA 81 -11.764 5.669 -0.176
598 H LEU 82 HN LEU 82 -12.004 2.215 1.137
599 HA LEU 82 HA LEU 82 -13.980 1.744 -0.832
600 HB2 LEU 82 HB2 LEU 82 -12.229 -0.105 0.754
601 HB3 LEU 82 HB1 LEU 82 -13.429 -0.711 -0.354
602 HG LEU 82 HG LEU 82 -10.923 0.882 -1.096
603 HD11 LEU 82 HD11 LEU 82 -11.825 -1.909 -1.679
604 HD12 LEU 82 HD12 LEU 82 -10.572 -1.430 -0.535
605 HD13 LEU 82 HD13 LEU 82 -10.357 -1.126 -2.259
606 HD21 LEU 82 HD21 LEU 82 -11.689 0.655 -3.385
607 HD22 LEU 82 HD22 LEU 82 -12.900 1.550 -2.468
608 HD23 LEU 82 HD23 LEU 82 -13.162 -0.154 -2.852
609 H ALA 83 HN ALA 83 -14.328 2.091 2.445
610 HA ALA 83 HA ALA 83 -16.471 0.230 2.823
611 HB1 ALA 83 HB1 ALA 83 -16.887 1.482 4.897
612 HB2 ALA 83 HB2 ALA 83 -15.746 2.721 4.375
613 HB3 ALA 83 HB3 ALA 83 -15.175 1.088 4.726
614 H GLU 84 HN GLU 84 -16.036 3.336 1.501
615 HA GLU 84 HA GLU 84 -18.921 3.855 1.318
616 HB2 GLU 84 HB2 GLU 84 -17.549 5.633 2.336
617 HB3 GLU 84 HB1 GLU 84 -16.538 5.679 0.903
618 HG2 GLU 84 HG2 GLU 84 -18.458 6.440 -0.408
619 HG3 GLU 84 HG1 GLU 84 -19.453 6.411 1.048
620 H ALA 85 HN ALA 85 -15.904 3.880 -0.572
621 HA ALA 85 HA ALA 85 -17.342 4.078 -3.076
622 HB1 ALA 85 HB1 ALA 85 -15.125 4.239 -4.069
623 HB2 ALA 85 HB2 ALA 85 -14.391 3.888 -2.504
624 HB3 ALA 85 HB3 ALA 85 -15.303 5.380 -2.737
625 H ALA 86 HN ALA 86 -17.518 2.471 -4.555
626 HA ALA 86 HA ALA 86 -16.061 0.010 -4.264
627 HB1 ALA 86 HB1 ALA 86 -18.065 -0.417 -2.894
628 HB2 ALA 86 HB2 ALA 86 -18.112 -1.364 -4.380
629 HB3 ALA 86 HB3 ALA 86 -19.093 0.093 -4.233
630 H28 SXM 87 H28A SXM 87 6.385 11.078 -1.699
631 H28A SXM 87 H28B SXM 87 6.112 12.305 -0.457
632 H30 SXM 87 H30A SXM 87 4.271 12.592 -2.375
633 H30A SXM 87 H30B SXM 87 4.600 14.202 -3.021
634 H30B SXM 87 H30C SXM 87 4.742 13.900 -1.289
635 H31 SXM 87 H31C SXM 87 8.222 14.161 -2.218
636 H31A SXM 87 H31A SXM 87 6.865 14.856 -1.352
637 H31B SXM 87 H31B SXM 87 6.986 15.058 -3.096
638 H32 SXM 87 H32A SXM 87 6.746 13.339 -4.621
639 HO33 SXM 87 H33A SXM 87 5.723 11.015 -4.688
640 HN36 SXM 87 H36A SXM 87 8.999 12.609 -3.129
641 H37 SXM 87 H37B SXM 87 9.954 10.225 -4.550
642 H37A SXM 87 H37A SXM 87 10.011 10.265 -2.776
643 H38 SXM 87 H38A SXM 87 11.346 12.412 -2.931
644 H38A SXM 87 H38B SXM 87 12.099 10.913 -3.327
645 HN41 SXM 87 H41A SXM 87 11.341 10.337 -5.799
646 H42 SXM 87 H42A SXM 87 11.138 11.775 -7.917
647 H42A SXM 87 H42B SXM 87 12.776 12.270 -7.452
648 H43 SXM 87 H43A SXM 87 11.850 9.435 -7.869
649 H43A SXM 87 H43B SXM 87 13.535 9.975 -7.671
650 H2 SXM 87 H2A SXM 87 12.729 9.317 -12.119
651 H2A SXM 87 H2B SXM 87 12.824 7.596 -11.768
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -17.342 -0.814 -6.862
2 H2 MET 1 HT2 MET 1 -16.324 0.406 -7.476
3 H3 MET 1 HT3 MET 1 -16.066 -0.257 -5.949
4 HA MET 1 HA MET 1 -15.991 -1.939 -8.355
5 HB2 MET 1 HB2 MET 1 -13.646 -0.806 -6.784
6 HB3 MET 1 HB1 MET 1 -13.524 -1.993 -8.068
7 HG2 MET 1 HG2 MET 1 -14.517 0.831 -8.385
8 HG3 MET 1 HG1 MET 1 -12.898 0.264 -8.781
9 HE1 MET 1 HE1 MET 1 -13.583 -2.152 -11.781
10 HE2 MET 1 HE2 MET 1 -13.460 -2.582 -10.076
11 HE3 MET 1 HE3 MET 1 -12.349 -1.401 -10.767
12 H ALA 2 HN ALA 2 -14.552 -1.626 -5.065
13 HA ALA 2 HA ALA 2 -15.730 -4.128 -4.276
14 HB1 ALA 2 HB1 ALA 2 -13.575 -5.153 -3.700
15 HB2 ALA 2 HB2 ALA 2 -12.732 -3.790 -4.438
16 HB3 ALA 2 HB3 ALA 2 -13.704 -4.873 -5.436
17 H THR 3 HN THR 3 -15.540 -4.420 -1.973
18 HA THR 3 HA THR 3 -14.872 -1.930 -0.595
19 HB THR 3 HB THR 3 -16.434 -2.875 1.196
20 HG1 THR 3 HG1 THR 3 -17.237 -4.771 0.858
21 HG21 THR 3 HG21 THR 3 -17.110 -1.065 -0.297
22 HG22 THR 3 HG22 THR 3 -18.464 -2.156 0.001
23 HG23 THR 3 HG23 THR 3 -17.581 -2.241 -1.524
24 H LEU 4 HN LEU 4 -13.076 -1.972 0.525
25 HA LEU 4 HA LEU 4 -11.347 -2.490 1.736
26 HB2 LEU 4 HB2 LEU 4 -13.080 -4.745 2.589
27 HB3 LEU 4 HB1 LEU 4 -11.484 -4.556 3.292
28 HG LEU 4 HG LEU 4 -12.385 -2.167 3.823
29 HD11 LEU 4 HD11 LEU 4 -14.885 -3.771 3.614
30 HD12 LEU 4 HD12 LEU 4 -14.444 -2.366 2.638
31 HD13 LEU 4 HD13 LEU 4 -14.783 -2.173 4.371
32 HD21 LEU 4 HD21 LEU 4 -13.217 -4.615 5.374
33 HD22 LEU 4 HD22 LEU 4 -13.177 -2.973 6.014
34 HD23 LEU 4 HD23 LEU 4 -11.682 -3.760 5.507
35 H LEU 5 HN LEU 5 -9.407 -3.206 1.357
36 HA LEU 5 HA LEU 5 -9.114 -5.132 -0.798
37 HB2 LEU 5 HB2 LEU 5 -7.158 -3.160 0.411
38 HB3 LEU 5 HB1 LEU 5 -6.661 -4.446 -0.678
39 HG LEU 5 HG LEU 5 -8.513 -2.163 -1.266
40 HD11 LEU 5 HD11 LEU 5 -6.146 -1.579 -1.146
41 HD12 LEU 5 HD12 LEU 5 -6.728 -1.520 -2.810
42 HD13 LEU 5 HD13 LEU 5 -5.760 -2.887 -2.260
43 HD21 LEU 5 HD21 LEU 5 -9.244 -4.187 -2.388
44 HD22 LEU 5 HD22 LEU 5 -7.610 -4.452 -2.994
45 HD23 LEU 5 HD23 LEU 5 -8.537 -3.052 -3.539
46 H THR 6 HN THR 6 -7.509 -6.783 -0.729
47 HA THR 6 HA THR 6 -7.529 -8.091 1.840
48 HB THR 6 HB THR 6 -6.646 -10.030 0.633
49 HG1 THR 6 HG1 THR 6 -6.790 -8.607 -1.842
50 HG21 THR 6 HG21 THR 6 -9.084 -9.681 0.589
51 HG22 THR 6 HG22 THR 6 -8.527 -10.431 -0.909
52 HG23 THR 6 HG23 THR 6 -8.921 -8.712 -0.878
53 H THR 7 HN THR 7 -5.356 -9.415 2.123
54 HA THR 7 HA THR 7 -3.295 -7.450 2.427
55 HB THR 7 HB THR 7 -3.090 -10.409 3.038
56 HG1 THR 7 HG1 THR 7 -4.895 -9.878 4.080
57 HG21 THR 7 HG21 THR 7 -1.926 -7.934 4.340
58 HG22 THR 7 HG22 THR 7 -1.053 -9.030 3.274
59 HG23 THR 7 HG23 THR 7 -1.626 -9.598 4.847
60 H ASP 8 HN ASP 8 -4.235 -9.825 0.148
61 HA ASP 8 HA ASP 8 -1.633 -10.337 -0.955
62 HB2 ASP 8 HB2 ASP 8 -4.399 -11.000 -1.975
63 HB3 ASP 8 HB1 ASP 8 -2.921 -11.441 -2.818
64 H ASP 9 HN ASP 9 -4.420 -8.370 -1.765
65 HA ASP 9 HA ASP 9 -3.470 -7.296 -4.188
66 HB2 ASP 9 HB2 ASP 9 -5.296 -6.058 -2.116
67 HB3 ASP 9 HB1 ASP 9 -4.890 -5.245 -3.620
68 H LEU 10 HN LEU 10 -3.048 -6.275 -0.906
69 HA LEU 10 HA LEU 10 -1.494 -3.982 -1.383
70 HB2 LEU 10 HB2 LEU 10 -2.666 -4.457 0.716
71 HB3 LEU 10 HB1 LEU 10 -1.607 -5.819 1.003
72 HG LEU 10 HG LEU 10 0.297 -4.280 1.248
73 HD11 LEU 10 HD11 LEU 10 -0.492 -2.478 -0.194
74 HD12 LEU 10 HD12 LEU 10 -0.107 -1.875 1.422
75 HD13 LEU 10 HD13 LEU 10 -1.788 -2.124 0.947
76 HD21 LEU 10 HD21 LEU 10 -2.091 -3.632 2.960
77 HD22 LEU 10 HD22 LEU 10 -0.407 -3.320 3.385
78 HD23 LEU 10 HD23 LEU 10 -0.981 -4.982 3.194
79 H ARG 11 HN ARG 11 -0.628 -7.353 -0.616
80 HA ARG 11 HA ARG 11 2.116 -7.068 -0.530
81 HB2 ARG 11 HB2 ARG 11 1.163 -9.113 0.269
82 HB3 ARG 11 HB1 ARG 11 0.469 -9.478 -1.309
83 HG2 ARG 11 HG2 ARG 11 2.621 -9.906 -2.244
84 HG3 ARG 11 HG1 ARG 11 3.427 -9.293 -0.805
85 HD2 ARG 11 HD2 ARG 11 3.465 -11.740 -0.916
86 HD3 ARG 11 HD1 ARG 11 2.607 -11.146 0.494
87 HE ARG 11 HE ARG 11 0.629 -11.590 -1.334
88 HH11 ARG 11 HH11 ARG 11 3.335 -13.580 -0.339
89 HH12 ARG 11 HH12 ARG 11 2.482 -15.049 -0.307
90 HH21 ARG 11 HH21 ARG 11 -0.675 -13.619 -1.182
91 HH22 ARG 11 HH22 ARG 11 0.128 -15.039 -0.731
92 H ARG 12 HN ARG 12 0.254 -8.173 -3.385
93 HA ARG 12 HA ARG 12 2.505 -8.270 -5.057
94 HB2 ARG 12 HB2 ARG 12 -0.427 -8.179 -5.614
95 HB3 ARG 12 HB1 ARG 12 0.707 -7.978 -6.938
96 HG2 ARG 12 HG2 ARG 12 0.762 -10.330 -5.055
97 HG3 ARG 12 HG1 ARG 12 -0.134 -10.314 -6.577
98 HD2 ARG 12 HD2 ARG 12 2.889 -9.956 -6.303
99 HD3 ARG 12 HD1 ARG 12 2.038 -11.387 -6.878
100 HE ARG 12 HE ARG 12 1.092 -9.494 -8.495
101 HH11 ARG 12 HH11 ARG 12 4.341 -10.695 -7.815
102 HH12 ARG 12 HH12 ARG 12 5.078 -9.977 -9.164
103 HH21 ARG 12 HH21 ARG 12 2.025 -8.525 -10.360
104 HH22 ARG 12 HH22 ARG 12 3.683 -8.691 -10.706
105 H ALA 13 HN ALA 13 0.412 -5.579 -4.304
106 HA ALA 13 HA ALA 13 1.400 -3.864 -6.311
107 HB1 ALA 13 HB1 ALA 13 -0.672 -3.401 -5.081
108 HB2 ALA 13 HB2 ALA 13 0.454 -2.046 -4.972
109 HB3 ALA 13 HB3 ALA 13 0.264 -3.149 -3.608
110 H LEU 14 HN LEU 14 2.370 -4.418 -2.940
111 HA LEU 14 HA LEU 14 4.505 -2.584 -2.873
112 HB2 LEU 14 HB2 LEU 14 4.045 -5.119 -1.309
113 HB3 LEU 14 HB1 LEU 14 5.349 -4.000 -0.987
114 HG LEU 14 HG LEU 14 2.410 -3.355 -0.753
115 HD11 LEU 14 HD11 LEU 14 4.505 -3.887 1.345
116 HD12 LEU 14 HD12 LEU 14 3.172 -4.954 0.926
117 HD13 LEU 14 HD13 LEU 14 2.845 -3.376 1.655
118 HD21 LEU 14 HD21 LEU 14 4.871 -1.789 0.007
119 HD22 LEU 14 HD22 LEU 14 3.205 -1.323 0.348
120 HD23 LEU 14 HD23 LEU 14 3.772 -1.415 -1.321
121 H VAL 15 HN VAL 15 4.287 -5.947 -3.757
122 HA VAL 15 HA VAL 15 6.970 -6.613 -4.093
123 HB VAL 15 HB VAL 15 4.486 -7.591 -5.551
124 HG11 VAL 15 HG11 VAL 15 6.436 -7.990 -6.977
125 HG12 VAL 15 HG12 VAL 15 5.800 -9.498 -6.319
126 HG13 VAL 15 HG13 VAL 15 7.256 -8.778 -5.628
127 HG21 VAL 15 HG21 VAL 15 4.578 -8.094 -3.179
128 HG22 VAL 15 HG22 VAL 15 6.175 -8.817 -3.376
129 HG23 VAL 15 HG23 VAL 15 4.768 -9.564 -4.133
130 H GLU 16 HN GLU 16 4.713 -5.472 -6.615
131 HA GLU 16 HA GLU 16 6.646 -5.275 -8.664
132 HB2 GLU 16 HB2 GLU 16 4.058 -3.772 -8.400
133 HB3 GLU 16 HB1 GLU 16 4.997 -3.972 -9.864
134 HG2 GLU 16 HG2 GLU 16 4.577 -6.394 -9.755
135 HG3 GLU 16 HG1 GLU 16 3.554 -6.121 -8.341
136 H SER 17 HN SER 17 5.334 -2.855 -6.421
137 HA SER 17 HA SER 17 6.606 -0.697 -7.769
138 HB2 SER 17 HB2 SER 17 5.279 -0.714 -5.067
139 HB3 SER 17 HB1 SER 17 5.619 0.691 -6.078
140 HG SER 17 HG SER 17 3.706 -1.275 -6.299
141 H ALA 18 HN ALA 18 7.743 -2.937 -5.519
142 HA ALA 18 HA ALA 18 9.320 -1.520 -3.747
143 HB1 ALA 18 HB1 ALA 18 9.959 -4.173 -5.010
144 HB2 ALA 18 HB2 ALA 18 8.937 -3.916 -3.598
145 HB3 ALA 18 HB3 ALA 18 10.658 -3.539 -3.521
146 H GLY 19 HN GLY 19 9.988 -2.360 -7.056
147 HA2 GLY 19 HA2 GLY 19 11.628 -0.269 -7.609
148 HA3 GLY 19 HA1 GLY 19 12.698 -1.550 -7.041
149 H GLU 20 HN GLU 20 12.330 -3.653 -8.006
150 HA GLU 20 HA GLU 20 12.086 -3.332 -10.906
151 HB2 GLU 20 HB2 GLU 20 13.360 -5.401 -11.047
152 HB3 GLU 20 HB1 GLU 20 14.202 -4.247 -10.022
153 HG2 GLU 20 HG2 GLU 20 13.229 -5.439 -8.037
154 HG3 GLU 20 HG1 GLU 20 12.613 -6.646 -9.157
155 H THR 21 HN THR 21 11.296 -5.441 -11.960
156 HA THR 21 HA THR 21 8.697 -6.094 -11.186
157 HB THR 21 HB THR 21 9.403 -6.390 -13.489
158 HG1 THR 21 HG1 THR 21 8.985 -9.034 -12.605
159 HG21 THR 21 HG21 THR 21 11.762 -6.968 -13.183
160 HG22 THR 21 HG22 THR 21 10.975 -8.163 -14.215
161 HG23 THR 21 HG23 THR 21 11.308 -8.541 -12.525
162 H ASP 22 HN ASP 22 8.182 -7.046 -9.379
163 HA ASP 22 HA ASP 22 8.228 -8.165 -7.452
164 HB2 ASP 22 HB2 ASP 22 9.752 -10.264 -9.071
165 HB3 ASP 22 HB1 ASP 22 9.297 -10.469 -7.381
166 H GLY 23 HN GLY 23 9.531 -6.211 -7.159
167 HA2 GLY 23 HA2 GLY 23 12.315 -6.245 -6.894
168 HA3 GLY 23 HA1 GLY 23 11.235 -5.112 -6.100
169 H THR 24 HN THR 24 9.809 -7.201 -4.715
170 HA THR 24 HA THR 24 11.602 -8.689 -3.193
171 HB THR 24 HB THR 24 11.985 -6.403 -2.175
172 HG1 THR 24 HG1 THR 24 11.823 -7.041 -0.110
173 HG21 THR 24 HG21 THR 24 9.765 -5.431 -2.520
174 HG22 THR 24 HG22 THR 24 10.205 -5.372 -0.811
175 HG23 THR 24 HG23 THR 24 9.071 -6.592 -1.388
176 H ASP 25 HN ASP 25 9.938 -9.115 -1.045
177 HA ASP 25 HA ASP 25 7.263 -9.506 -1.997
178 HB2 ASP 25 HB2 ASP 25 8.218 -11.513 -2.931
179 HB3 ASP 25 HB1 ASP 25 9.107 -11.845 -1.448
180 H LEU 26 HN LEU 26 5.877 -9.910 -0.327
181 HA LEU 26 HA LEU 26 7.037 -9.543 2.313
182 HB2 LEU 26 HB2 LEU 26 4.676 -8.032 1.168
183 HB3 LEU 26 HB1 LEU 26 5.071 -8.065 2.867
184 HG LEU 26 HG LEU 26 5.797 -6.004 2.089
185 HD11 LEU 26 HD11 LEU 26 7.380 -6.991 3.557
186 HD12 LEU 26 HD12 LEU 26 8.210 -5.997 2.362
187 HD13 LEU 26 HD13 LEU 26 8.218 -7.754 2.206
188 HD21 LEU 26 HD21 LEU 26 7.188 -7.371 -0.219
189 HD22 LEU 26 HD22 LEU 26 7.265 -5.647 0.144
190 HD23 LEU 26 HD23 LEU 26 5.728 -6.382 -0.313
191 H SER 27 HN SER 27 6.751 -11.736 2.482
192 HA SER 27 HA SER 27 3.973 -12.591 2.796
193 HB2 SER 27 HB2 SER 27 5.018 -14.891 2.382
194 HB3 SER 27 HB1 SER 27 4.879 -13.797 1.001
195 HG SER 27 HG SER 27 6.920 -13.767 0.831
196 H GLY 28 HN GLY 28 3.573 -14.055 4.520
197 HA2 GLY 28 HA2 GLY 28 3.909 -15.017 6.598
198 HA3 GLY 28 HA1 GLY 28 5.615 -14.614 6.461
199 H ASP 29 HN ASP 29 2.871 -12.450 6.234
200 HA ASP 29 HA ASP 29 2.064 -10.789 7.449
201 HB2 ASP 29 HB2 ASP 29 1.974 -12.178 9.429
202 HB3 ASP 29 HB1 ASP 29 3.682 -11.888 9.752
203 H PHE 30 HN PHE 30 2.476 -8.834 7.024
204 HA PHE 30 HA PHE 30 5.130 -7.704 7.557
205 HB2 PHE 30 HB2 PHE 30 5.221 -6.769 5.294
206 HB3 PHE 30 HB1 PHE 30 5.161 -8.527 5.253
207 HD1 PHE 30 HD2 PHE 30 2.998 -9.663 4.637
208 HD2 PHE 30 HD1 PHE 30 3.550 -5.465 4.218
209 HE1 PHE 30 HE2 PHE 30 1.068 -9.560 3.118
210 HE2 PHE 30 HE1 PHE 30 1.620 -5.361 2.707
211 HZ PHE 30 HZ PHE 30 0.416 -7.418 2.105
212 H LEU 31 HN LEU 31 2.110 -7.414 8.388
213 HA LEU 31 HA LEU 31 1.360 -4.903 7.240
214 HB2 LEU 31 HB2 LEU 31 0.083 -6.479 9.463
215 HB3 LEU 31 HB1 LEU 31 -0.589 -5.011 8.774
216 HG LEU 31 HG LEU 31 -0.125 -7.591 7.274
217 HD11 LEU 31 HD11 LEU 31 -1.955 -7.762 8.868
218 HD12 LEU 31 HD12 LEU 31 -2.556 -7.738 7.210
219 HD13 LEU 31 HD13 LEU 31 -2.674 -6.293 8.212
220 HD21 LEU 31 HD21 LEU 31 0.127 -5.630 5.839
221 HD22 LEU 31 HD22 LEU 31 -1.430 -5.014 6.397
222 HD23 LEU 31 HD23 LEU 31 -1.357 -6.505 5.459
223 H ASP 32 HN ASP 32 3.002 -5.827 10.118
224 HA ASP 32 HA ASP 32 2.749 -3.125 11.230
225 HB2 ASP 32 HB2 ASP 32 2.348 -5.022 12.751
226 HB3 ASP 32 HB1 ASP 32 3.943 -5.660 12.389
227 H LEU 33 HN LEU 33 4.695 -4.838 9.156
228 HA LEU 33 HA LEU 33 7.275 -4.078 10.029
229 HB2 LEU 33 HB2 LEU 33 6.573 -6.119 8.619
230 HB3 LEU 33 HB1 LEU 33 6.423 -4.988 7.289
231 HG LEU 33 HG LEU 33 8.695 -4.453 7.372
232 HD11 LEU 33 HD11 LEU 33 9.127 -4.770 9.781
233 HD12 LEU 33 HD12 LEU 33 10.254 -5.730 8.825
234 HD13 LEU 33 HD13 LEU 33 8.873 -6.505 9.599
235 HD21 LEU 33 HD21 LEU 33 8.154 -7.413 7.338
236 HD22 LEU 33 HD22 LEU 33 9.571 -6.637 6.628
237 HD23 LEU 33 HD23 LEU 33 7.958 -6.292 5.993
238 H ARG 34 HN ARG 34 7.769 -2.033 10.032
239 HA ARG 34 HA ARG 34 6.545 0.040 8.595
240 HB2 ARG 34 HB2 ARG 34 9.263 -0.040 9.939
241 HB3 ARG 34 HB1 ARG 34 8.397 1.420 9.467
242 HG2 ARG 34 HG2 ARG 34 6.650 0.979 11.052
243 HG3 ARG 34 HG1 ARG 34 7.327 -0.601 11.426
244 HD2 ARG 34 HD2 ARG 34 7.824 1.005 13.189
245 HD3 ARG 34 HD1 ARG 34 9.302 0.474 12.394
246 HE ARG 34 HE ARG 34 9.235 2.628 11.175
247 HH11 ARG 34 HH11 ARG 34 7.417 2.436 14.237
248 HH12 ARG 34 HH12 ARG 34 7.633 4.090 14.584
249 HH21 ARG 34 HH21 ARG 34 9.467 4.758 11.625
250 HH22 ARG 34 HH22 ARG 34 8.763 5.507 13.007
251 H PHE 35 HN PHE 35 7.080 1.076 6.734
252 HA PHE 35 HA PHE 35 8.346 -0.374 4.707
253 HB2 PHE 35 HB2 PHE 35 7.536 2.523 4.825
254 HB3 PHE 35 HB1 PHE 35 8.239 1.803 3.381
255 HD1 PHE 35 HD2 PHE 35 7.017 -0.525 2.702
256 HD2 PHE 35 HD1 PHE 35 5.293 2.636 4.939
257 HE1 PHE 35 HE2 PHE 35 4.788 -1.290 2.051
258 HE2 PHE 35 HE1 PHE 35 3.045 1.875 4.296
259 HZ PHE 35 HZ PHE 35 2.837 -0.176 2.794
260 H GLU 36 HN GLU 36 9.683 1.712 6.981
261 HA GLU 36 HA GLU 36 12.094 2.513 5.775
262 HB2 GLU 36 HB2 GLU 36 11.656 1.755 8.655
263 HB3 GLU 36 HB1 GLU 36 12.881 2.840 8.015
264 HG2 GLU 36 HG2 GLU 36 11.231 4.468 7.448
265 HG3 GLU 36 HG1 GLU 36 9.922 3.368 7.872
266 H ASP 37 HN ASP 37 11.081 -0.443 7.417
267 HA ASP 37 HA ASP 37 13.643 -1.627 7.736
268 HB2 ASP 37 HB2 ASP 37 11.798 -2.374 9.117
269 HB3 ASP 37 HB1 ASP 37 10.887 -2.878 7.697
270 H ILE 38 HN ILE 38 11.098 -1.981 5.318
271 HA ILE 38 HA ILE 38 12.741 -3.877 3.897
272 HB ILE 38 HB ILE 38 10.836 -4.199 2.369
273 HG12 ILE 38 HG12 ILE 38 9.450 -2.071 4.035
274 HG13 ILE 38 HG11 ILE 38 9.989 -1.908 2.364
275 HG21 ILE 38 HG21 ILE 38 10.009 -4.235 5.287
276 HG22 ILE 38 HG22 ILE 38 10.908 -5.500 4.455
277 HG23 ILE 38 HG23 ILE 38 9.245 -5.144 3.998
278 HD11 ILE 38 HD11 ILE 38 7.578 -2.299 2.487
279 HD12 ILE 38 HD12 ILE 38 7.869 -3.810 3.346
280 HD13 ILE 38 HD13 ILE 38 8.402 -3.631 1.678
281 H GLY 39 HN GLY 39 13.207 -0.897 4.145
282 HA2 GLY 39 HA2 GLY 39 14.240 0.754 2.928
283 HA3 GLY 39 HA1 GLY 39 14.692 -0.525 1.809
284 H TYR 40 HN TYR 40 11.517 0.727 2.672
285 HA TYR 40 HA TYR 40 10.932 0.868 -0.158
286 HB2 TYR 40 HB2 TYR 40 9.490 -0.038 1.994
287 HB3 TYR 40 HB1 TYR 40 8.823 1.562 1.713
288 HD1 TYR 40 HD1 TYR 40 9.702 -1.537 -0.007
289 HD2 TYR 40 HD2 TYR 40 7.267 1.918 0.049
290 HE1 TYR 40 HE1 TYR 40 8.442 -2.415 -1.931
291 HE2 TYR 40 HE2 TYR 40 5.989 1.069 -1.869
292 HH TYR 40 HH TYR 40 6.377 -2.138 -3.049
293 H ASP 41 HN ASP 41 11.200 2.685 -1.143
294 HA ASP 41 HA ASP 41 11.386 5.222 0.232
295 HB2 ASP 41 HB2 ASP 41 12.797 4.581 -1.753
296 HB3 ASP 41 HB1 ASP 41 11.342 4.611 -2.737
297 H SER 42 HN SER 42 9.898 6.945 -0.086
298 HA SER 42 HA SER 42 7.214 6.233 -0.170
299 HB2 SER 42 HB2 SER 42 6.921 8.796 -0.404
300 HB3 SER 42 HB1 SER 42 7.651 8.164 1.072
301 H LEU 43 HN LEU 43 9.347 7.119 -2.774
302 HA LEU 43 HA LEU 43 7.427 7.824 -4.721
303 HB2 LEU 43 HB2 LEU 43 9.945 8.052 -4.909
304 HB3 LEU 43 HB1 LEU 43 10.041 6.324 -5.112
305 HG LEU 43 HG LEU 43 8.625 8.146 -7.081
306 HD11 LEU 43 HD11 LEU 43 10.964 8.782 -6.897
307 HD12 LEU 43 HD12 LEU 43 10.655 7.976 -8.434
308 HD13 LEU 43 HD13 LEU 43 11.452 7.103 -7.124
309 HD21 LEU 43 HD21 LEU 43 8.003 5.762 -7.232
310 HD22 LEU 43 HD22 LEU 43 9.707 5.330 -7.369
311 HD23 LEU 43 HD23 LEU 43 8.933 6.278 -8.640
312 H ALA 44 HN ALA 44 8.894 4.792 -3.820
313 HA ALA 44 HA ALA 44 7.418 3.099 -5.551
314 HB1 ALA 44 HB1 ALA 44 9.571 2.471 -4.582
315 HB2 ALA 44 HB2 ALA 44 8.323 1.300 -4.158
316 HB3 ALA 44 HB3 ALA 44 8.859 2.489 -2.968
317 H LEU 45 HN LEU 45 7.013 4.272 -2.320
318 HA LEU 45 HA LEU 45 4.898 2.655 -1.461
319 HB2 LEU 45 HB2 LEU 45 6.288 3.970 0.017
320 HB3 LEU 45 HB1 LEU 45 5.697 5.445 -0.710
321 HG LEU 45 HG LEU 45 3.499 5.072 0.241
322 HD11 LEU 45 HD11 LEU 45 3.493 2.629 0.168
323 HD12 LEU 45 HD12 LEU 45 3.128 3.221 1.789
324 HD13 LEU 45 HD13 LEU 45 4.733 2.585 1.421
325 HD21 LEU 45 HD21 LEU 45 5.748 4.759 2.215
326 HD22 LEU 45 HD22 LEU 45 4.123 5.328 2.588
327 HD23 LEU 45 HD23 LEU 45 5.168 6.276 1.530
328 H MET 46 HN MET 46 4.863 5.884 -2.977
329 HA MET 46 HA MET 46 2.020 6.030 -3.038
330 HB2 MET 46 HB2 MET 46 4.006 7.505 -4.762
331 HB3 MET 46 HB1 MET 46 2.296 7.882 -4.617
332 HG2 MET 46 HG2 MET 46 2.670 8.219 -2.211
333 HG3 MET 46 HG1 MET 46 4.405 8.076 -2.521
334 HE1 MET 46 HE1 MET 46 1.703 11.400 -4.240
335 HE2 MET 46 HE2 MET 46 1.160 10.177 -3.091
336 HE3 MET 46 HE3 MET 46 1.596 9.711 -4.736
337 H GLU 47 HN GLU 47 4.441 4.844 -5.179
338 HA GLU 47 HA GLU 47 2.921 4.417 -7.479
339 HB2 GLU 47 HB2 GLU 47 5.330 4.409 -7.220
340 HB3 GLU 47 HB1 GLU 47 5.253 2.926 -6.320
341 HG2 GLU 47 HG2 GLU 47 5.963 2.538 -8.665
342 HG3 GLU 47 HG1 GLU 47 4.518 1.646 -8.209
343 H THR 48 HN THR 48 3.413 2.488 -4.588
344 HA THR 48 HA THR 48 1.905 0.202 -5.278
345 HB THR 48 HB THR 48 2.404 1.495 -2.577
346 HG1 THR 48 HG1 THR 48 4.340 0.844 -3.709
347 HG21 THR 48 HG21 THR 48 1.546 -1.324 -3.249
348 HG22 THR 48 HG22 THR 48 0.548 -0.093 -2.476
349 HG23 THR 48 HG23 THR 48 1.960 -0.737 -1.640
350 H ALA 49 HN ALA 49 1.123 3.084 -3.350
351 HA ALA 49 HA ALA 49 -1.535 2.578 -2.789
352 HB1 ALA 49 HB1 ALA 49 -1.740 4.956 -2.314
353 HB2 ALA 49 HB2 ALA 49 -0.241 5.271 -3.189
354 HB3 ALA 49 HB3 ALA 49 -0.210 4.326 -1.701
355 H ALA 50 HN ALA 50 -0.253 4.615 -5.421
356 HA ALA 50 HA ALA 50 -2.670 5.367 -6.572
357 HB1 ALA 50 HB1 ALA 50 -0.519 6.422 -7.069
358 HB2 ALA 50 HB2 ALA 50 -1.371 5.948 -8.540
359 HB3 ALA 50 HB3 ALA 50 -0.018 4.980 -7.954
360 H ARG 51 HN ARG 51 -0.712 2.562 -7.117
361 HA ARG 51 HA ARG 51 -1.960 1.525 -9.405
362 HB2 ARG 51 HB2 ARG 51 0.218 0.841 -8.486
363 HB3 ARG 51 HB1 ARG 51 -0.595 0.117 -7.119
364 HG2 ARG 51 HG2 ARG 51 -1.513 -1.589 -8.471
365 HG3 ARG 51 HG1 ARG 51 -1.010 -0.768 -9.956
366 HD2 ARG 51 HD2 ARG 51 0.785 -1.936 -7.835
367 HD3 ARG 51 HD1 ARG 51 0.565 -2.530 -9.487
368 HE ARG 51 HE ARG 51 1.563 0.184 -9.019
369 HH11 ARG 51 HH11 ARG 51 2.262 -3.094 -10.180
370 HH12 ARG 51 HH12 ARG 51 3.595 -2.579 -11.118
371 HH21 ARG 51 HH21 ARG 51 3.358 0.842 -10.374
372 HH22 ARG 51 HH22 ARG 51 4.163 -0.356 -11.300
373 H LEU 52 HN LEU 52 -2.549 1.067 -5.977
374 HA LEU 52 HA LEU 52 -4.726 -0.739 -6.383
375 HB2 LEU 52 HB2 LEU 52 -3.848 0.773 -3.922
376 HB3 LEU 52 HB1 LEU 52 -5.083 -0.468 -3.947
377 HG LEU 52 HG LEU 52 -2.174 -0.911 -4.632
378 HD11 LEU 52 HD11 LEU 52 -2.467 -0.419 -2.269
379 HD12 LEU 52 HD12 LEU 52 -2.074 -2.121 -2.509
380 HD13 LEU 52 HD13 LEU 52 -3.734 -1.640 -2.158
381 HD21 LEU 52 HD21 LEU 52 -2.761 -3.287 -4.564
382 HD22 LEU 52 HD22 LEU 52 -3.674 -2.438 -5.811
383 HD23 LEU 52 HD23 LEU 52 -4.450 -2.864 -4.285
384 H GLU 53 HN GLU 53 -4.358 2.718 -5.771
385 HA GLU 53 HA GLU 53 -7.016 3.402 -5.270
386 HB2 GLU 53 HB2 GLU 53 -5.152 5.132 -6.889
387 HB3 GLU 53 HB1 GLU 53 -6.604 5.550 -6.016
388 HG2 GLU 53 HG2 GLU 53 -5.570 5.290 -3.921
389 HG3 GLU 53 HG1 GLU 53 -4.091 4.667 -4.673
390 H SER 54 HN SER 54 -5.258 3.500 -8.348
391 HA SER 54 HA SER 54 -7.389 4.342 -9.930
392 HB2 SER 54 HB2 SER 54 -5.005 2.700 -10.779
393 HB3 SER 54 HB1 SER 54 -5.970 3.773 -11.793
394 HG SER 54 HG SER 54 -3.896 4.333 -10.182
395 H ARG 55 HN ARG 55 -6.387 1.119 -8.981
396 HA ARG 55 HA ARG 55 -8.091 -0.135 -10.910
397 HB2 ARG 55 HB2 ARG 55 -5.979 -1.172 -10.211
398 HB3 ARG 55 HB1 ARG 55 -6.599 -1.345 -8.579
399 HG2 ARG 55 HG2 ARG 55 -8.280 -2.906 -9.337
400 HG3 ARG 55 HG1 ARG 55 -7.775 -2.674 -11.013
401 HD2 ARG 55 HD2 ARG 55 -6.045 -3.782 -8.802
402 HD3 ARG 55 HD1 ARG 55 -6.861 -4.742 -10.032
403 HE ARG 55 HE ARG 55 -5.417 -3.013 -11.501
404 HH11 ARG 55 HH11 ARG 55 -4.443 -5.161 -8.786
405 HH12 ARG 55 HH12 ARG 55 -2.891 -5.421 -9.444
406 HH21 ARG 55 HH21 ARG 55 -3.214 -3.428 -12.315
407 HH22 ARG 55 HH22 ARG 55 -2.155 -4.364 -11.381
408 H TYR 56 HN TYR 56 -8.292 0.519 -7.427
409 HA TYR 56 HA TYR 56 -10.891 -0.780 -7.477
410 HB2 TYR 56 HB2 TYR 56 -9.059 -0.178 -5.179
411 HB3 TYR 56 HB1 TYR 56 -10.728 -0.692 -4.947
412 HD1 TYR 56 HD2 TYR 56 -7.411 -1.696 -6.104
413 HD2 TYR 56 HD1 TYR 56 -11.418 -2.981 -5.484
414 HE1 TYR 56 HE2 TYR 56 -6.688 -4.026 -6.351
415 HE2 TYR 56 HE1 TYR 56 -10.702 -5.330 -5.724
416 HH TYR 56 HH TYR 56 -8.829 -6.600 -6.799
417 H GLY 57 HN GLY 57 -9.829 2.287 -7.791
418 HA2 GLY 57 HA2 GLY 57 -11.179 4.112 -8.164
419 HA3 GLY 57 HA1 GLY 57 -12.539 3.201 -7.538
420 H VAL 58 HN VAL 58 -9.448 4.205 -6.080
421 HA VAL 58 HA VAL 58 -11.008 5.842 -4.225
422 HB VAL 58 HB VAL 58 -9.567 5.301 -2.305
423 HG11 VAL 58 HG11 VAL 58 -11.614 4.076 -2.580
424 HG12 VAL 58 HG12 VAL 58 -10.343 3.046 -1.885
425 HG13 VAL 58 HG13 VAL 58 -10.760 2.910 -3.596
426 HG21 VAL 58 HG21 VAL 58 -8.017 3.447 -2.338
427 HG22 VAL 58 HG22 VAL 58 -7.543 4.638 -3.557
428 HG23 VAL 58 HG23 VAL 58 -8.383 3.152 -4.032
429 H SER 59 HN SER 59 -9.491 7.255 -2.878
430 HA SER 59 HA SER 59 -7.269 8.239 -4.507
431 HB2 SER 59 HB2 SER 59 -9.335 9.934 -3.083
432 HB3 SER 59 HB1 SER 59 -7.955 10.535 -3.998
433 HG SER 59 HG SER 59 -9.815 8.808 -5.195
434 H ILE 60 HN ILE 60 -5.520 8.124 -3.362
435 HA ILE 60 HA ILE 60 -5.582 8.578 -0.449
436 HB ILE 60 HB ILE 60 -3.472 7.113 -2.091
437 HG12 ILE 60 HG12 ILE 60 -5.489 5.753 -1.945
438 HG13 ILE 60 HG11 ILE 60 -4.222 5.050 -0.951
439 HG21 ILE 60 HG21 ILE 60 -3.666 7.450 0.904
440 HG22 ILE 60 HG22 ILE 60 -2.483 8.211 -0.157
441 HG23 ILE 60 HG23 ILE 60 -2.463 6.467 0.069
442 HD11 ILE 60 HD11 ILE 60 -5.283 5.987 1.044
443 HD12 ILE 60 HD12 ILE 60 -6.384 4.937 0.151
444 HD13 ILE 60 HD13 ILE 60 -6.550 6.690 0.038
445 HA PRO 61 HA PRO 61 -3.950 12.478 -2.057
446 HB2 PRO 61 HB2 PRO 61 -3.652 12.924 0.874
447 HB3 PRO 61 HB1 PRO 61 -4.374 13.971 -0.354
448 HG2 PRO 61 HG2 PRO 61 -5.925 12.617 1.310
449 HG3 PRO 61 HG1 PRO 61 -6.361 12.764 -0.403
450 HD2 PRO 61 HD2 PRO 61 -5.170 10.442 1.056
451 HD3 PRO 61 HD1 PRO 61 -6.409 10.460 -0.217
452 H ASP 62 HN ASP 62 -2.031 13.374 -2.285
453 HA ASP 62 HA ASP 62 0.292 11.875 -2.345
454 HB2 ASP 62 HB2 ASP 62 -0.323 13.975 -3.620
455 HB3 ASP 62 HB1 ASP 62 0.085 14.892 -2.185
456 H ASP 63 HN ASP 63 -0.736 14.308 -0.055
457 HA ASP 63 HA ASP 63 1.408 14.433 1.741
458 HB2 ASP 63 HB2 ASP 63 -0.521 15.961 1.694
459 HB3 ASP 63 HB1 ASP 63 -1.555 14.663 2.259
460 H VAL 64 HN VAL 64 -1.501 12.456 1.857
461 HA VAL 64 HA VAL 64 -0.988 11.120 4.331
462 HB VAL 64 HB VAL 64 -2.735 10.195 2.070
463 HG11 VAL 64 HG11 VAL 64 -2.889 9.721 5.055
464 HG12 VAL 64 HG12 VAL 64 -2.426 8.542 3.829
465 HG13 VAL 64 HG13 VAL 64 -4.080 9.160 3.880
466 HG21 VAL 64 HG21 VAL 64 -4.582 11.430 3.153
467 HG22 VAL 64 HG22 VAL 64 -3.299 12.492 2.573
468 HG23 VAL 64 HG23 VAL 64 -3.423 12.117 4.292
469 H ALA 65 HN ALA 65 -0.511 10.275 0.943
470 HA ALA 65 HA ALA 65 0.304 7.628 1.374
471 HB1 ALA 65 HB1 ALA 65 1.028 9.446 -0.924
472 HB2 ALA 65 HB2 ALA 65 -0.446 8.485 -0.800
473 HB3 ALA 65 HB3 ALA 65 1.120 7.680 -0.905
474 H GLY 66 HN GLY 66 1.911 10.604 1.884
475 HA2 GLY 66 HA2 GLY 66 4.536 9.363 1.961
476 HA3 GLY 66 HA1 GLY 66 4.176 11.063 2.247
477 H ARG 67 HN ARG 67 1.911 9.665 4.029
478 HA ARG 67 HA ARG 67 3.533 9.880 6.448
479 HB2 ARG 67 HB2 ARG 67 1.404 11.095 6.500
480 HB3 ARG 67 HB1 ARG 67 0.524 9.597 6.177
481 HG2 ARG 67 HG2 ARG 67 1.696 8.696 8.265
482 HG3 ARG 67 HG1 ARG 67 2.048 10.381 8.618
483 HD2 ARG 67 HD2 ARG 67 -0.231 10.888 8.878
484 HD3 ARG 67 HD1 ARG 67 -0.732 9.365 8.130
485 HE ARG 67 HE ARG 67 0.900 8.827 10.338
486 HH11 ARG 67 HH11 ARG 67 -2.395 9.981 9.663
487 HH12 ARG 67 HH12 ARG 67 -3.025 9.300 11.107
488 HH21 ARG 67 HH21 ARG 67 -0.029 7.958 12.324
489 HH22 ARG 67 HH22 ARG 67 -1.711 8.178 12.587
490 H VAL 68 HN VAL 68 1.665 7.550 4.660
491 HA VAL 68 HA VAL 68 1.363 5.598 6.612
492 HB VAL 68 HB VAL 68 1.025 3.965 4.691
493 HG11 VAL 68 HG11 VAL 68 -0.787 5.233 5.688
494 HG12 VAL 68 HG12 VAL 68 -1.028 5.066 3.947
495 HG13 VAL 68 HG13 VAL 68 -0.444 6.590 4.615
496 HG21 VAL 68 HG21 VAL 68 1.501 6.451 3.033
497 HG22 VAL 68 HG22 VAL 68 0.814 4.951 2.437
498 HG23 VAL 68 HG23 VAL 68 2.487 4.987 3.009
499 H ASP 69 HN ASP 69 2.851 4.896 7.804
500 HA ASP 69 HA ASP 69 5.564 4.451 6.849
501 HB2 ASP 69 HB2 ASP 69 5.102 5.702 8.960
502 HB3 ASP 69 HB1 ASP 69 4.381 4.245 9.620
503 H THR 70 HN THR 70 2.730 2.773 7.929
504 HA THR 70 HA THR 70 4.138 0.239 7.484
505 HB THR 70 HB THR 70 2.479 -0.798 9.040
506 HG1 THR 70 HG1 THR 70 1.901 1.654 10.202
507 HG21 THR 70 HG21 THR 70 4.715 -0.187 9.831
508 HG22 THR 70 HG22 THR 70 3.501 0.062 11.099
509 HG23 THR 70 HG23 THR 70 4.117 1.438 10.177
510 HA PRO 71 HA PRO 71 1.209 -0.755 4.289
511 HB2 PRO 71 HB2 PRO 71 1.053 -3.444 5.580
512 HB3 PRO 71 HB1 PRO 71 1.431 -3.028 3.903
513 HG2 PRO 71 HG2 PRO 71 3.361 -3.800 5.522
514 HG3 PRO 71 HG1 PRO 71 3.628 -2.440 4.409
515 HD2 PRO 71 HD2 PRO 71 3.024 -2.397 7.343
516 HD3 PRO 71 HD1 PRO 71 4.207 -1.435 6.424
517 H ARG 72 HN ARG 72 0.597 -1.583 7.623
518 HA ARG 72 HA ARG 72 -2.098 -2.156 7.768
519 HB2 ARG 72 HB2 ARG 72 -0.655 -2.213 9.713
520 HB3 ARG 72 HB1 ARG 72 -0.367 -0.485 9.600
521 HG2 ARG 72 HG2 ARG 72 -1.893 -0.870 11.396
522 HG3 ARG 72 HG1 ARG 72 -2.788 -0.115 10.078
523 HD2 ARG 72 HD2 ARG 72 -4.099 -1.898 11.028
524 HD3 ARG 72 HD1 ARG 72 -3.595 -2.354 9.402
525 HE ARG 72 HE ARG 72 -1.800 -3.237 11.440
526 HH11 ARG 72 HH11 ARG 72 -4.824 -4.054 9.762
527 HH12 ARG 72 HH12 ARG 72 -4.702 -5.729 10.015
528 HH21 ARG 72 HH21 ARG 72 -1.653 -5.553 11.882
529 HH22 ARG 72 HH22 ARG 72 -2.835 -6.608 11.295
530 H GLU 73 HN GLU 73 -0.505 0.999 7.822
531 HA GLU 73 HA GLU 73 -2.837 2.520 8.115
532 HB2 GLU 73 HB2 GLU 73 -0.122 3.301 7.070
533 HB3 GLU 73 HB1 GLU 73 -1.369 4.443 7.525
534 HG2 GLU 73 HG2 GLU 73 -1.316 3.534 9.809
535 HG3 GLU 73 HG1 GLU 73 0.003 2.475 9.319
536 H LEU 74 HN LEU 74 -0.881 1.827 5.238
537 HA LEU 74 HA LEU 74 -2.352 3.364 3.372
538 HB2 LEU 74 HB2 LEU 74 -0.035 1.951 3.201
539 HB3 LEU 74 HB1 LEU 74 -1.161 0.793 2.508
540 HG LEU 74 HG LEU 74 -0.671 3.553 1.396
541 HD11 LEU 74 HD11 LEU 74 0.505 2.390 -0.401
542 HD12 LEU 74 HD12 LEU 74 0.327 0.871 0.480
543 HD13 LEU 74 HD13 LEU 74 1.290 2.180 1.165
544 HD21 LEU 74 HD21 LEU 74 -1.886 2.724 -0.572
545 HD22 LEU 74 HD22 LEU 74 -2.915 2.690 0.861
546 HD23 LEU 74 HD23 LEU 74 -2.196 1.198 0.257
547 H LEU 75 HN LEU 75 -2.548 -0.047 4.294
548 HA LEU 75 HA LEU 75 -4.570 -0.849 2.544
549 HB2 LEU 75 HB2 LEU 75 -3.105 -2.375 3.800
550 HB3 LEU 75 HB1 LEU 75 -3.875 -1.881 5.291
551 HG LEU 75 HG LEU 75 -5.995 -2.881 4.496
552 HD11 LEU 75 HD11 LEU 75 -4.318 -3.870 2.192
553 HD12 LEU 75 HD12 LEU 75 -5.631 -2.691 2.104
554 HD13 LEU 75 HD13 LEU 75 -5.975 -4.357 2.559
555 HD21 LEU 75 HD21 LEU 75 -5.292 -5.207 4.773
556 HD22 LEU 75 HD22 LEU 75 -4.474 -4.148 5.923
557 HD23 LEU 75 HD23 LEU 75 -3.616 -4.734 4.499
558 H ASP 76 HN ASP 76 -4.683 0.410 5.843
559 HA ASP 76 HA ASP 76 -7.445 0.038 6.258
560 HB2 ASP 76 HB2 ASP 76 -5.937 0.352 8.138
561 HB3 ASP 76 HB1 ASP 76 -5.526 1.967 7.570
562 H LEU 77 HN LEU 77 -5.562 2.730 5.062
563 HA LEU 77 HA LEU 77 -7.489 4.717 4.846
564 HB2 LEU 77 HB2 LEU 77 -5.234 4.025 2.991
565 HB3 LEU 77 HB1 LEU 77 -6.166 5.488 2.875
566 HG LEU 77 HG LEU 77 -4.396 4.706 5.183
567 HD11 LEU 77 HD11 LEU 77 -2.955 6.493 4.329
568 HD12 LEU 77 HD12 LEU 77 -4.043 6.716 2.966
569 HD13 LEU 77 HD13 LEU 77 -3.163 5.204 3.150
570 HD21 LEU 77 HD21 LEU 77 -4.771 6.997 5.960
571 HD22 LEU 77 HD22 LEU 77 -6.296 6.110 5.874
572 HD23 LEU 77 HD23 LEU 77 -5.883 7.277 4.620
573 H ILE 78 HN ILE 78 -6.563 2.254 2.481
574 HA ILE 78 HA ILE 78 -8.579 3.057 0.648
575 HB ILE 78 HB ILE 78 -6.985 0.482 0.680
576 HG12 ILE 78 HG12 ILE 78 -6.565 3.105 -0.749
577 HG13 ILE 78 HG11 ILE 78 -5.510 2.370 0.457
578 HG21 ILE 78 HG21 ILE 78 -8.629 1.738 -1.523
579 HG22 ILE 78 HG22 ILE 78 -9.048 0.280 -0.626
580 HG23 ILE 78 HG23 ILE 78 -7.632 0.289 -1.680
581 HD11 ILE 78 HD11 ILE 78 -6.163 1.277 -2.225
582 HD12 ILE 78 HD12 ILE 78 -5.055 0.539 -1.057
583 HD13 ILE 78 HD13 ILE 78 -4.648 2.107 -1.825
584 H ASN 79 HN ASN 79 -8.319 0.594 3.124
585 HA ASN 79 HA ASN 79 -10.641 -0.836 2.469
586 HB2 ASN 79 HB2 ASN 79 -9.179 -0.473 5.064
587 HB3 ASN 79 HB1 ASN 79 -10.732 -1.285 5.058
588 HD21 ASN 79 HD21 ASN 79 -8.258 -1.519 2.541
589 HD22 ASN 79 HD22 ASN 79 -7.901 -3.195 2.833
590 H GLY 80 HN GLY 80 -10.216 2.010 4.482
591 HA2 GLY 80 HA2 GLY 80 -12.932 2.260 5.250
592 HA3 GLY 80 HA1 GLY 80 -11.726 3.534 5.297
593 H ALA 81 HN ALA 81 -11.066 3.690 2.610
594 HA ALA 81 HA ALA 81 -13.121 5.382 1.665
595 HB1 ALA 81 HB1 ALA 81 -11.721 5.619 -0.328
596 HB2 ALA 81 HB2 ALA 81 -10.737 4.250 0.193
597 HB3 ALA 81 HB3 ALA 81 -10.753 5.735 1.142
598 H LEU 82 HN LEU 82 -12.028 2.169 0.755
599 HA LEU 82 HA LEU 82 -13.854 1.727 -1.330
600 HB2 LEU 82 HB2 LEU 82 -12.385 -0.164 0.480
601 HB3 LEU 82 HB1 LEU 82 -13.446 -0.726 -0.780
602 HG LEU 82 HG LEU 82 -10.788 0.746 -1.162
603 HD11 LEU 82 HD11 LEU 82 -10.145 -1.286 -2.235
604 HD12 LEU 82 HD12 LEU 82 -11.720 -2.001 -1.888
605 HD13 LEU 82 HD13 LEU 82 -10.631 -1.583 -0.566
606 HD21 LEU 82 HD21 LEU 82 -11.208 0.507 -3.533
607 HD22 LEU 82 HD22 LEU 82 -12.471 1.498 -2.805
608 HD23 LEU 82 HD23 LEU 82 -12.797 -0.187 -3.211
609 H ALA 83 HN ALA 83 -14.077 1.248 2.163
610 HA ALA 83 HA ALA 83 -16.491 -0.206 2.149
611 HB1 ALA 83 HB1 ALA 83 -15.009 -0.108 4.095
612 HB2 ALA 83 HB2 ALA 83 -16.650 0.392 4.511
613 HB3 ALA 83 HB3 ALA 83 -15.386 1.601 4.295
614 H GLU 84 HN GLU 84 -15.765 3.225 2.132
615 HA GLU 84 HA GLU 84 -18.513 3.984 2.449
616 HB2 GLU 84 HB2 GLU 84 -16.134 5.654 1.647
617 HB3 GLU 84 HB1 GLU 84 -17.728 6.272 2.062
618 HG2 GLU 84 HG2 GLU 84 -17.459 5.236 4.311
619 HG3 GLU 84 HG1 GLU 84 -15.798 4.854 3.866
620 H ALA 85 HN ALA 85 -17.117 2.531 -0.040
621 HA ALA 85 HA ALA 85 -18.394 4.088 -2.138
622 HB1 ALA 85 HB1 ALA 85 -16.913 1.451 -2.271
623 HB2 ALA 85 HB2 ALA 85 -16.225 3.036 -2.617
624 HB3 ALA 85 HB3 ALA 85 -17.487 2.377 -3.659
625 H ALA 86 HN ALA 86 -19.159 1.742 0.102
626 HA ALA 86 HA ALA 86 -21.182 0.411 -1.462
627 HB1 ALA 86 HB1 ALA 86 -19.902 -0.886 0.187
628 HB2 ALA 86 HB2 ALA 86 -21.615 -0.849 0.605
629 HB3 ALA 86 HB3 ALA 86 -20.473 0.180 1.471
630 H28 SXM 87 H28A SXM 87 8.033 13.022 -1.089
631 H28A SXM 87 H28B SXM 87 6.941 12.146 -2.159
632 H30 SXM 87 H30A SXM 87 3.968 12.409 -0.028
633 H30A SXM 87 H30B SXM 87 5.111 11.068 -0.048
634 H30B SXM 87 H30C SXM 87 4.611 11.827 -1.563
635 H31 SXM 87 H31C SXM 87 6.531 12.317 1.563
636 H31A SXM 87 H31A SXM 87 5.422 13.688 1.536
637 H31B SXM 87 H31B SXM 87 7.126 13.923 1.148
638 H32 SXM 87 H32A SXM 87 4.823 14.830 -0.567
639 HO33 SXM 87 H33A SXM 87 4.123 14.167 -2.399
640 HN36 SXM 87 H36A SXM 87 6.428 15.240 -3.185
641 H37 SXM 87 H37B SXM 87 9.026 16.146 -2.416
642 H37A SXM 87 H37A SXM 87 7.958 17.512 -2.604
643 H38 SXM 87 H38A SXM 87 8.434 15.405 -4.700
644 H38A SXM 87 H38B SXM 87 7.719 17.019 -4.968
645 HN41 SXM 87 H41A SXM 87 10.375 16.873 -2.818
646 H42 SXM 87 H42A SXM 87 12.679 16.661 -4.095
647 H42A SXM 87 H42B SXM 87 12.155 18.278 -4.590
648 H43 SXM 87 H43A SXM 87 13.623 18.296 -2.583
649 H43A SXM 87 H43B SXM 87 12.399 17.342 -1.710
650 H2 SXM 87 H2A SXM 87 10.553 21.490 -3.458
651 H2A SXM 87 H2B SXM 87 11.574 21.842 -4.850
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -19.160 -9.659 1.773
2 H2 MET 1 HT2 MET 1 -20.828 -9.602 1.825
3 H3 MET 1 HT3 MET 1 -19.921 -8.187 1.596
4 HA MET 1 HA MET 1 -19.952 -10.477 -0.267
5 HB2 MET 1 HB2 MET 1 -22.080 -9.395 -0.490
6 HB3 MET 1 HB1 MET 1 -21.348 -7.800 -0.429
7 HG2 MET 1 HG2 MET 1 -22.040 -8.278 -2.680
8 HG3 MET 1 HG1 MET 1 -20.284 -8.227 -2.604
9 HE1 MET 1 HE1 MET 1 -22.826 -12.053 -3.069
10 HE2 MET 1 HE2 MET 1 -23.475 -10.413 -3.063
11 HE3 MET 1 HE3 MET 1 -22.806 -11.101 -1.583
12 H ALA 2 HN ALA 2 -19.278 -6.945 -0.247
13 HA ALA 2 HA ALA 2 -17.151 -7.316 -2.108
14 HB1 ALA 2 HB1 ALA 2 -16.802 -4.914 -1.857
15 HB2 ALA 2 HB2 ALA 2 -17.917 -4.883 -0.490
16 HB3 ALA 2 HB3 ALA 2 -18.512 -5.275 -2.104
17 H THR 3 HN THR 3 -15.387 -8.282 -1.478
18 HA THR 3 HA THR 3 -14.309 -8.027 1.185
19 HB THR 3 HB THR 3 -13.194 -9.331 -1.237
20 HG1 THR 3 HG1 THR 3 -14.806 -10.752 -1.014
21 HG21 THR 3 HG21 THR 3 -12.768 -9.858 1.712
22 HG22 THR 3 HG22 THR 3 -11.619 -9.094 0.613
23 HG23 THR 3 HG23 THR 3 -12.037 -10.795 0.409
24 H LEU 4 HN LEU 4 -13.281 -6.147 1.538
25 HA LEU 4 HA LEU 4 -12.085 -4.552 -0.506
26 HB2 LEU 4 HB2 LEU 4 -11.532 -4.408 2.456
27 HB3 LEU 4 HB1 LEU 4 -11.312 -3.136 1.269
28 HG LEU 4 HG LEU 4 -13.861 -4.239 2.361
29 HD11 LEU 4 HD11 LEU 4 -14.320 -1.927 3.001
30 HD12 LEU 4 HD12 LEU 4 -12.739 -1.464 2.374
31 HD13 LEU 4 HD13 LEU 4 -12.855 -2.573 3.740
32 HD21 LEU 4 HD21 LEU 4 -15.106 -2.721 0.861
33 HD22 LEU 4 HD22 LEU 4 -14.228 -3.971 -0.023
34 HD23 LEU 4 HD23 LEU 4 -13.592 -2.327 0.044
35 H LEU 5 HN LEU 5 -9.709 -3.803 0.057
36 HA LEU 5 HA LEU 5 -8.259 -5.795 -1.250
37 HB2 LEU 5 HB2 LEU 5 -7.198 -3.301 0.143
38 HB3 LEU 5 HB1 LEU 5 -6.199 -4.427 -0.759
39 HG LEU 5 HG LEU 5 -8.513 -2.865 -1.870
40 HD11 LEU 5 HD11 LEU 5 -6.786 -1.581 -3.014
41 HD12 LEU 5 HD12 LEU 5 -5.539 -2.493 -2.166
42 HD13 LEU 5 HD13 LEU 5 -6.632 -1.441 -1.263
43 HD21 LEU 5 HD21 LEU 5 -7.674 -3.647 -4.023
44 HD22 LEU 5 HD22 LEU 5 -8.163 -4.997 -2.996
45 HD23 LEU 5 HD23 LEU 5 -6.453 -4.616 -3.197
46 H THR 6 HN THR 6 -7.257 -7.515 -0.714
47 HA THR 6 HA THR 6 -7.196 -8.196 2.087
48 HB THR 6 HB THR 6 -6.583 -10.453 1.330
49 HG1 THR 6 HG1 THR 6 -6.666 -9.310 -1.283
50 HG21 THR 6 HG21 THR 6 -8.612 -11.002 0.047
51 HG22 THR 6 HG22 THR 6 -8.858 -9.290 -0.295
52 HG23 THR 6 HG23 THR 6 -8.968 -9.883 1.362
53 H THR 7 HN THR 7 -5.074 -9.758 2.465
54 HA THR 7 HA THR 7 -2.967 -7.881 2.272
55 HB THR 7 HB THR 7 -1.771 -9.823 3.535
56 HG1 THR 7 HG1 THR 7 -3.017 -11.419 4.137
57 HG21 THR 7 HG21 THR 7 -4.090 -8.299 4.730
58 HG22 THR 7 HG22 THR 7 -2.452 -7.682 4.510
59 HG23 THR 7 HG23 THR 7 -2.749 -9.008 5.635
60 H ASP 8 HN ASP 8 -4.091 -10.591 0.594
61 HA ASP 8 HA ASP 8 -1.670 -11.317 -0.728
62 HB2 ASP 8 HB2 ASP 8 -4.569 -11.702 -1.529
63 HB3 ASP 8 HB1 ASP 8 -3.235 -12.254 -2.527
64 H ASP 9 HN ASP 9 -4.355 -9.215 -1.506
65 HA ASP 9 HA ASP 9 -3.443 -8.285 -4.030
66 HB2 ASP 9 HB2 ASP 9 -5.155 -6.761 -2.041
67 HB3 ASP 9 HB1 ASP 9 -4.949 -6.363 -3.735
68 H LEU 10 HN LEU 10 -3.227 -6.923 -0.790
69 HA LEU 10 HA LEU 10 -1.804 -4.612 -1.460
70 HB2 LEU 10 HB2 LEU 10 -3.053 -4.957 0.639
71 HB3 LEU 10 HB1 LEU 10 -1.850 -6.118 1.156
72 HG LEU 10 HG LEU 10 -0.158 -4.306 1.192
73 HD11 LEU 10 HD11 LEU 10 -1.148 -2.831 -0.470
74 HD12 LEU 10 HD12 LEU 10 -0.898 -1.981 1.059
75 HD13 LEU 10 HD13 LEU 10 -2.513 -2.528 0.607
76 HD21 LEU 10 HD21 LEU 10 -2.640 -3.786 2.824
77 HD22 LEU 10 HD22 LEU 10 -1.025 -3.180 3.186
78 HD23 LEU 10 HD23 LEU 10 -1.345 -4.915 3.223
79 H ARG 11 HN ARG 11 -0.701 -7.845 -0.518
80 HA ARG 11 HA ARG 11 2.015 -7.283 -0.201
81 HB2 ARG 11 HB2 ARG 11 0.940 -9.380 0.505
82 HB3 ARG 11 HB1 ARG 11 0.738 -9.836 -1.175
83 HG2 ARG 11 HG2 ARG 11 3.164 -9.934 -1.445
84 HG3 ARG 11 HG1 ARG 11 3.367 -9.453 0.244
85 HD2 ARG 11 HD2 ARG 11 3.578 -11.873 0.008
86 HD3 ARG 11 HD1 ARG 11 2.152 -11.455 0.958
87 HE ARG 11 HE ARG 11 2.158 -12.276 -1.850
88 HH11 ARG 11 HH11 ARG 11 0.606 -12.133 1.330
89 HH12 ARG 11 HH12 ARG 11 -0.805 -12.948 0.909
90 HH21 ARG 11 HH21 ARG 11 0.101 -13.463 -2.532
91 HH22 ARG 11 HH22 ARG 11 -1.079 -13.720 -1.342
92 H ARG 12 HN ARG 12 0.332 -8.596 -3.072
93 HA ARG 12 HA ARG 12 2.704 -8.397 -4.567
94 HB2 ARG 12 HB2 ARG 12 -0.070 -9.123 -5.309
95 HB3 ARG 12 HB1 ARG 12 1.004 -8.613 -6.612
96 HG2 ARG 12 HG2 ARG 12 1.715 -10.749 -4.623
97 HG3 ARG 12 HG1 ARG 12 0.959 -11.077 -6.187
98 HD2 ARG 12 HD2 ARG 12 2.817 -10.334 -7.386
99 HD3 ARG 12 HD1 ARG 12 3.490 -9.437 -6.040
100 HE ARG 12 HE ARG 12 3.363 -12.191 -5.458
101 HH11 ARG 12 HH11 ARG 12 5.120 -10.108 -7.719
102 HH12 ARG 12 HH12 ARG 12 6.652 -10.746 -7.397
103 HH21 ARG 12 HH21 ARG 12 5.558 -13.177 -5.018
104 HH22 ARG 12 HH22 ARG 12 6.900 -12.535 -5.848
105 H ALA 13 HN ALA 13 0.133 -6.139 -4.129
106 HA ALA 13 HA ALA 13 0.889 -4.318 -6.128
107 HB1 ALA 13 HB1 ALA 13 -1.184 -4.082 -4.835
108 HB2 ALA 13 HB2 ALA 13 -0.211 -2.613 -4.753
109 HB3 ALA 13 HB3 ALA 13 -0.241 -3.728 -3.389
110 H LEU 14 HN LEU 14 1.953 -4.741 -2.803
111 HA LEU 14 HA LEU 14 3.736 -2.558 -2.752
112 HB2 LEU 14 HB2 LEU 14 2.684 -3.763 -0.796
113 HB3 LEU 14 HB1 LEU 14 3.829 -5.058 -1.073
114 HG LEU 14 HG LEU 14 5.680 -3.486 -0.618
115 HD11 LEU 14 HD11 LEU 14 5.160 -1.306 0.348
116 HD12 LEU 14 HD12 LEU 14 3.443 -1.585 0.058
117 HD13 LEU 14 HD13 LEU 14 4.554 -1.436 -1.303
118 HD21 LEU 14 HD21 LEU 14 4.763 -4.874 1.174
119 HD22 LEU 14 HD22 LEU 14 3.570 -3.625 1.535
120 HD23 LEU 14 HD23 LEU 14 5.286 -3.307 1.789
121 H VAL 15 HN VAL 15 4.264 -6.057 -3.108
122 HA VAL 15 HA VAL 15 7.034 -6.130 -3.361
123 HB VAL 15 HB VAL 15 5.006 -7.923 -4.751
124 HG11 VAL 15 HG11 VAL 15 7.190 -8.093 -5.846
125 HG12 VAL 15 HG12 VAL 15 6.823 -9.563 -4.944
126 HG13 VAL 15 HG13 VAL 15 7.957 -8.386 -4.284
127 HG21 VAL 15 HG21 VAL 15 6.546 -8.287 -2.181
128 HG22 VAL 15 HG22 VAL 15 5.479 -9.480 -2.918
129 HG23 VAL 15 HG23 VAL 15 4.820 -7.956 -2.322
130 H GLU 16 HN GLU 16 4.658 -5.872 -5.991
131 HA GLU 16 HA GLU 16 6.606 -5.809 -8.015
132 HB2 GLU 16 HB2 GLU 16 3.737 -4.874 -8.115
133 HB3 GLU 16 HB1 GLU 16 4.779 -5.106 -9.515
134 HG2 GLU 16 HG2 GLU 16 4.990 -7.475 -8.963
135 HG3 GLU 16 HG1 GLU 16 3.946 -7.241 -7.566
136 H SER 17 HN SER 17 4.990 -3.181 -6.271
137 HA SER 17 HA SER 17 6.212 -1.218 -7.947
138 HB2 SER 17 HB2 SER 17 4.542 -1.004 -5.457
139 HB3 SER 17 HB1 SER 17 5.037 0.353 -6.476
140 HG SER 17 HG SER 17 3.968 -0.419 -8.117
141 H ALA 18 HN ALA 18 7.385 -3.050 -5.505
142 HA ALA 18 HA ALA 18 9.013 -1.034 -4.221
143 HB1 ALA 18 HB1 ALA 18 8.149 -2.936 -2.957
144 HB2 ALA 18 HB2 ALA 18 9.916 -2.909 -2.948
145 HB3 ALA 18 HB3 ALA 18 9.052 -4.034 -3.999
146 H GLY 19 HN GLY 19 9.179 -2.265 -7.194
147 HA2 GLY 19 HA2 GLY 19 11.845 -1.579 -7.626
148 HA3 GLY 19 HA1 GLY 19 11.685 -3.340 -7.571
149 H GLU 20 HN GLU 20 12.015 -3.691 -9.741
150 HA GLU 20 HA GLU 20 10.320 -2.235 -11.580
151 HB2 GLU 20 HB2 GLU 20 12.656 -2.609 -12.134
152 HB3 GLU 20 HB1 GLU 20 12.385 -4.350 -12.150
153 HG2 GLU 20 HG2 GLU 20 10.776 -4.071 -13.987
154 HG3 GLU 20 HG1 GLU 20 11.089 -2.338 -13.990
155 H THR 21 HN THR 21 8.442 -3.054 -10.644
156 HA THR 21 HA THR 21 6.573 -4.237 -10.644
157 HB THR 21 HB THR 21 7.550 -5.705 -13.115
158 HG1 THR 21 HG1 THR 21 7.251 -3.060 -12.613
159 HG21 THR 21 HG21 THR 21 5.158 -5.606 -13.696
160 HG22 THR 21 HG22 THR 21 4.850 -4.677 -12.217
161 HG23 THR 21 HG23 THR 21 5.385 -6.349 -12.104
162 H ASP 22 HN ASP 22 8.953 -5.179 -9.351
163 HA ASP 22 HA ASP 22 8.124 -7.136 -7.699
164 HB2 ASP 22 HB2 ASP 22 8.167 -8.648 -9.778
165 HB3 ASP 22 HB1 ASP 22 9.922 -8.406 -9.739
166 H GLY 23 HN GLY 23 9.263 -5.728 -6.519
167 HA2 GLY 23 HA2 GLY 23 12.175 -5.690 -6.992
168 HA3 GLY 23 HA1 GLY 23 11.274 -4.450 -6.125
169 H THR 24 HN THR 24 10.423 -4.966 -4.131
170 HA THR 24 HA THR 24 12.090 -6.797 -2.575
171 HB THR 24 HB THR 24 10.284 -4.506 -1.724
172 HG1 THR 24 HG1 THR 24 13.111 -4.652 -1.927
173 HG21 THR 24 HG21 THR 24 10.632 -6.180 0.055
174 HG22 THR 24 HG22 THR 24 11.467 -4.674 0.439
175 HG23 THR 24 HG23 THR 24 12.377 -6.057 -0.169
176 H ASP 25 HN ASP 25 11.092 -8.725 -2.385
177 HA ASP 25 HA ASP 25 8.206 -8.911 -2.466
178 HB2 ASP 25 HB2 ASP 25 8.423 -11.287 -2.386
179 HB3 ASP 25 HB1 ASP 25 9.712 -10.722 -3.435
180 H LEU 26 HN LEU 26 6.945 -9.729 -0.792
181 HA LEU 26 HA LEU 26 8.135 -9.533 1.853
182 HB2 LEU 26 HB2 LEU 26 5.473 -8.370 0.995
183 HB3 LEU 26 HB1 LEU 26 5.908 -8.624 2.663
184 HG LEU 26 HG LEU 26 6.168 -6.351 2.257
185 HD11 LEU 26 HD11 LEU 26 7.940 -7.215 3.576
186 HD12 LEU 26 HD12 LEU 26 8.534 -5.888 2.576
187 HD13 LEU 26 HD13 LEU 26 8.901 -7.558 2.138
188 HD21 LEU 26 HD21 LEU 26 6.149 -6.318 -0.165
189 HD22 LEU 26 HD22 LEU 26 7.779 -6.991 -0.210
190 HD23 LEU 26 HD23 LEU 26 7.509 -5.375 0.443
191 H SER 27 HN SER 27 8.300 -11.762 1.620
192 HA SER 27 HA SER 27 5.827 -13.259 1.556
193 HB2 SER 27 HB2 SER 27 7.784 -14.117 0.304
194 HB3 SER 27 HB1 SER 27 8.696 -14.187 1.811
195 HG SER 27 HG SER 27 7.758 -15.944 2.327
196 H GLY 28 HN GLY 28 4.777 -12.837 3.398
197 HA2 GLY 28 HA2 GLY 28 4.823 -14.092 5.650
198 HA3 GLY 28 HA1 GLY 28 6.161 -12.974 5.947
199 H ASP 29 HN ASP 29 4.301 -12.507 7.651
200 HA ASP 29 HA ASP 29 2.368 -10.725 6.516
201 HB2 ASP 29 HB2 ASP 29 2.852 -11.538 9.370
202 HB3 ASP 29 HB1 ASP 29 1.738 -10.235 8.962
203 H PHE 30 HN PHE 30 3.408 -9.301 5.539
204 HA PHE 30 HA PHE 30 5.505 -7.683 6.481
205 HB2 PHE 30 HB2 PHE 30 5.103 -6.337 4.450
206 HB3 PHE 30 HB1 PHE 30 5.188 -8.061 4.122
207 HD1 PHE 30 HD2 PHE 30 3.023 -9.319 3.731
208 HD2 PHE 30 HD1 PHE 30 3.221 -5.076 3.865
209 HE1 PHE 30 HE2 PHE 30 0.849 -9.184 2.593
210 HE2 PHE 30 HE1 PHE 30 1.051 -4.939 2.726
211 HZ PHE 30 HZ PHE 30 -0.134 -6.993 2.088
212 H LEU 31 HN LEU 31 2.289 -7.564 7.253
213 HA LEU 31 HA LEU 31 1.838 -4.764 7.448
214 HB2 LEU 31 HB2 LEU 31 0.507 -7.084 8.859
215 HB3 LEU 31 HB1 LEU 31 -0.016 -5.430 9.017
216 HG LEU 31 HG LEU 31 -1.499 -6.557 7.538
217 HD11 LEU 31 HD11 LEU 31 0.323 -4.819 5.934
218 HD12 LEU 31 HD12 LEU 31 -1.020 -4.279 6.945
219 HD13 LEU 31 HD13 LEU 31 -1.331 -5.248 5.501
220 HD21 LEU 31 HD21 LEU 31 -0.081 -8.394 6.868
221 HD22 LEU 31 HD22 LEU 31 0.894 -7.275 5.899
222 HD23 LEU 31 HD23 LEU 31 -0.791 -7.586 5.460
223 H ASP 32 HN ASP 32 3.530 -7.060 9.325
224 HA ASP 32 HA ASP 32 3.492 -5.499 11.755
225 HB2 ASP 32 HB2 ASP 32 4.893 -8.090 11.061
226 HB3 ASP 32 HB1 ASP 32 4.941 -7.325 12.644
227 H LEU 33 HN LEU 33 5.024 -5.118 8.943
228 HA LEU 33 HA LEU 33 7.414 -4.037 10.224
229 HB2 LEU 33 HB2 LEU 33 6.999 -4.952 7.367
230 HB3 LEU 33 HB1 LEU 33 8.411 -4.095 7.930
231 HG LEU 33 HG LEU 33 9.012 -6.319 7.690
232 HD11 LEU 33 HD11 LEU 33 9.645 -7.047 9.937
233 HD12 LEU 33 HD12 LEU 33 8.557 -5.831 10.610
234 HD13 LEU 33 HD13 LEU 33 9.949 -5.334 9.648
235 HD21 LEU 33 HD21 LEU 33 7.873 -8.218 8.795
236 HD22 LEU 33 HD22 LEU 33 6.884 -7.405 7.585
237 HD23 LEU 33 HD23 LEU 33 6.592 -7.112 9.302
238 H ARG 34 HN ARG 34 7.938 -1.937 9.666
239 HA ARG 34 HA ARG 34 5.778 -0.353 8.513
240 HB2 ARG 34 HB2 ARG 34 8.423 0.347 9.790
241 HB3 ARG 34 HB1 ARG 34 7.345 1.539 9.088
242 HG2 ARG 34 HG2 ARG 34 5.659 1.023 10.730
243 HG3 ARG 34 HG1 ARG 34 6.664 -0.278 11.384
244 HD2 ARG 34 HD2 ARG 34 8.321 1.250 12.107
245 HD3 ARG 34 HD1 ARG 34 7.569 2.579 11.227
246 HE ARG 34 HE ARG 34 5.701 2.352 12.743
247 HH11 ARG 34 HH11 ARG 34 8.798 0.995 13.761
248 HH12 ARG 34 HH12 ARG 34 8.664 1.396 15.403
249 HH21 ARG 34 HH21 ARG 34 5.438 2.876 15.071
250 HH22 ARG 34 HH22 ARG 34 6.678 2.472 16.193
251 H PHE 35 HN PHE 35 6.470 1.303 6.843
252 HA PHE 35 HA PHE 35 8.005 0.040 4.789
253 HB2 PHE 35 HB2 PHE 35 7.035 2.905 5.005
254 HB3 PHE 35 HB1 PHE 35 7.796 2.225 3.572
255 HD1 PHE 35 HD2 PHE 35 6.671 0.030 2.675
256 HD2 PHE 35 HD1 PHE 35 4.760 2.895 5.154
257 HE1 PHE 35 HE2 PHE 35 4.486 -0.769 1.906
258 HE2 PHE 35 HE1 PHE 35 2.569 2.103 4.386
259 HZ PHE 35 HZ PHE 35 2.438 0.261 2.734
260 H GLU 36 HN GLU 36 8.619 2.127 7.338
261 HA GLU 36 HA GLU 36 11.206 3.081 6.863
262 HB2 GLU 36 HB2 GLU 36 9.816 2.239 9.397
263 HB3 GLU 36 HB1 GLU 36 11.322 3.140 9.342
264 HG2 GLU 36 HG2 GLU 36 8.782 4.113 8.086
265 HG3 GLU 36 HG1 GLU 36 9.241 4.473 9.751
266 H ASP 37 HN ASP 37 9.981 -0.072 7.809
267 HA ASP 37 HA ASP 37 12.565 -1.034 8.694
268 HB2 ASP 37 HB2 ASP 37 9.916 -2.460 8.419
269 HB3 ASP 37 HB1 ASP 37 11.398 -3.229 8.969
270 H ILE 38 HN ILE 38 10.471 -1.288 5.903
271 HA ILE 38 HA ILE 38 12.332 -3.193 4.786
272 HB ILE 38 HB ILE 38 10.718 -3.416 2.896
273 HG12 ILE 38 HG12 ILE 38 8.966 -1.638 4.626
274 HG13 ILE 38 HG11 ILE 38 9.650 -1.193 3.069
275 HG21 ILE 38 HG21 ILE 38 9.629 -3.909 5.666
276 HG22 ILE 38 HG22 ILE 38 10.700 -4.972 4.757
277 HG23 ILE 38 HG23 ILE 38 9.054 -4.687 4.189
278 HD11 ILE 38 HD11 ILE 38 7.632 -3.374 3.556
279 HD12 ILE 38 HD12 ILE 38 8.306 -2.925 1.990
280 HD13 ILE 38 HD13 ILE 38 7.299 -1.779 2.878
281 H GLY 39 HN GLY 39 12.700 -0.224 5.158
282 HA2 GLY 39 HA2 GLY 39 13.755 1.539 4.112
283 HA3 GLY 39 HA1 GLY 39 14.592 0.276 3.220
284 H TYR 40 HN TYR 40 11.297 1.541 3.243
285 HA TYR 40 HA TYR 40 11.165 1.115 0.393
286 HB2 TYR 40 HB2 TYR 40 9.362 0.745 2.343
287 HB3 TYR 40 HB1 TYR 40 8.942 2.388 1.849
288 HD1 TYR 40 HD1 TYR 40 9.271 -1.075 0.675
289 HD2 TYR 40 HD2 TYR 40 7.816 2.813 -0.106
290 HE1 TYR 40 HE1 TYR 40 7.969 -1.963 -1.197
291 HE2 TYR 40 HE2 TYR 40 6.482 1.943 -2.000
292 HH TYR 40 HH TYR 40 5.976 -1.385 -2.477
293 H ASP 41 HN ASP 41 10.694 2.674 -1.103
294 HA ASP 41 HA ASP 41 11.503 5.410 -0.431
295 HB2 ASP 41 HB2 ASP 41 12.732 4.469 -2.263
296 HB3 ASP 41 HB1 ASP 41 11.259 3.896 -3.036
297 H SER 42 HN SER 42 10.133 7.200 -0.868
298 HA SER 42 HA SER 42 7.404 6.618 -0.618
299 HB2 SER 42 HB2 SER 42 7.111 9.112 -0.982
300 HB3 SER 42 HB1 SER 42 8.086 8.618 0.400
301 H LEU 43 HN LEU 43 9.275 7.568 -3.491
302 HA LEU 43 HA LEU 43 7.049 7.972 -5.174
303 HB2 LEU 43 HB2 LEU 43 9.331 8.747 -5.735
304 HB3 LEU 43 HB1 LEU 43 9.879 7.095 -5.835
305 HG LEU 43 HG LEU 43 7.801 8.182 -7.754
306 HD11 LEU 43 HD11 LEU 43 9.769 9.629 -7.826
307 HD12 LEU 43 HD12 LEU 43 9.647 8.643 -9.283
308 HD13 LEU 43 HD13 LEU 43 10.801 8.214 -8.021
309 HD21 LEU 43 HD21 LEU 43 9.841 5.954 -7.989
310 HD22 LEU 43 HD22 LEU 43 8.669 6.423 -9.222
311 HD23 LEU 43 HD23 LEU 43 8.115 5.733 -7.696
312 H ALA 44 HN ALA 44 9.002 5.201 -4.371
313 HA ALA 44 HA ALA 44 7.772 3.275 -5.984
314 HB1 ALA 44 HB1 ALA 44 8.902 2.893 -3.202
315 HB2 ALA 44 HB2 ALA 44 9.841 2.863 -4.693
316 HB3 ALA 44 HB3 ALA 44 8.624 1.621 -4.388
317 H LEU 45 HN LEU 45 6.970 4.431 -2.766
318 HA LEU 45 HA LEU 45 4.817 2.674 -2.273
319 HB2 LEU 45 HB2 LEU 45 6.100 3.898 -0.546
320 HB3 LEU 45 HB1 LEU 45 5.357 5.387 -1.090
321 HG LEU 45 HG LEU 45 3.184 4.623 -0.339
322 HD11 LEU 45 HD11 LEU 45 2.955 2.518 0.882
323 HD12 LEU 45 HD12 LEU 45 4.643 2.133 0.543
324 HD13 LEU 45 HD13 LEU 45 3.478 2.231 -0.778
325 HD21 LEU 45 HD21 LEU 45 4.640 5.781 1.230
326 HD22 LEU 45 HD22 LEU 45 5.345 4.243 1.724
327 HD23 LEU 45 HD23 LEU 45 3.647 4.583 2.057
328 H MET 46 HN MET 46 4.986 5.875 -3.665
329 HA MET 46 HA MET 46 2.199 6.390 -3.855
330 HB2 MET 46 HB2 MET 46 4.405 7.350 -5.688
331 HB3 MET 46 HB1 MET 46 2.803 8.052 -5.551
332 HG2 MET 46 HG2 MET 46 4.788 7.927 -3.314
333 HG3 MET 46 HG1 MET 46 4.639 9.286 -4.414
334 HE1 MET 46 HE1 MET 46 4.343 10.904 -2.319
335 HE2 MET 46 HE2 MET 46 4.550 9.522 -1.243
336 HE3 MET 46 HE3 MET 46 3.190 10.625 -1.015
337 H GLU 47 HN GLU 47 4.508 4.719 -5.833
338 HA GLU 47 HA GLU 47 2.918 4.331 -8.144
339 HB2 GLU 47 HB2 GLU 47 5.450 4.197 -7.691
340 HB3 GLU 47 HB1 GLU 47 5.160 2.549 -7.178
341 HG2 GLU 47 HG2 GLU 47 4.535 3.621 -9.942
342 HG3 GLU 47 HG1 GLU 47 6.001 2.755 -9.520
343 H THR 48 HN THR 48 3.684 2.332 -5.272
344 HA THR 48 HA THR 48 2.134 0.089 -5.630
345 HB THR 48 HB THR 48 2.432 1.661 -3.050
346 HG1 THR 48 HG1 THR 48 4.344 -0.168 -3.193
347 HG21 THR 48 HG21 THR 48 0.928 -0.275 -2.916
348 HG22 THR 48 HG22 THR 48 2.408 -0.563 -1.996
349 HG23 THR 48 HG23 THR 48 2.194 -1.307 -3.580
350 H ALA 49 HN ALA 49 1.256 3.089 -3.937
351 HA ALA 49 HA ALA 49 -1.397 2.503 -3.380
352 HB1 ALA 49 HB1 ALA 49 -0.159 5.224 -3.775
353 HB2 ALA 49 HB2 ALA 49 -0.134 4.292 -2.277
354 HB3 ALA 49 HB3 ALA 49 -1.666 4.877 -2.927
355 H ALA 50 HN ALA 50 -0.049 4.389 -6.086
356 HA ALA 50 HA ALA 50 -2.372 5.231 -7.293
357 HB1 ALA 50 HB1 ALA 50 -1.096 5.482 -9.336
358 HB2 ALA 50 HB2 ALA 50 0.153 4.405 -8.711
359 HB3 ALA 50 HB3 ALA 50 -0.126 5.969 -7.943
360 H ARG 51 HN ARG 51 -0.806 2.126 -7.628
361 HA ARG 51 HA ARG 51 -2.379 1.164 -9.791
362 HB2 ARG 51 HB2 ARG 51 -0.885 -0.339 -7.642
363 HB3 ARG 51 HB1 ARG 51 -1.541 -1.063 -9.104
364 HG2 ARG 51 HG2 ARG 51 -0.041 0.200 -10.472
365 HG3 ARG 51 HG1 ARG 51 0.523 1.121 -9.076
366 HD2 ARG 51 HD2 ARG 51 2.125 -0.600 -9.666
367 HD3 ARG 51 HD1 ARG 51 1.405 -0.937 -8.094
368 HE ARG 51 HE ARG 51 0.191 -2.201 -10.395
369 HH11 ARG 51 HH11 ARG 51 2.409 -2.529 -7.637
370 HH12 ARG 51 HH12 ARG 51 2.391 -4.229 -7.643
371 HH21 ARG 51 HH21 ARG 51 0.221 -4.547 -10.449
372 HH22 ARG 51 HH22 ARG 51 1.148 -5.429 -9.328
373 H LEU 52 HN LEU 52 -2.698 0.996 -6.314
374 HA LEU 52 HA LEU 52 -4.999 -0.707 -6.376
375 HB2 LEU 52 HB2 LEU 52 -3.849 0.984 -4.164
376 HB3 LEU 52 HB1 LEU 52 -5.135 -0.188 -3.964
377 HG LEU 52 HG LEU 52 -2.313 -0.843 -4.817
378 HD11 LEU 52 HD11 LEU 52 -2.098 -1.823 -2.587
379 HD12 LEU 52 HD12 LEU 52 -3.709 -1.234 -2.174
380 HD13 LEU 52 HD13 LEU 52 -2.410 -0.089 -2.507
381 HD21 LEU 52 HD21 LEU 52 -3.004 -3.167 -4.449
382 HD22 LEU 52 HD22 LEU 52 -3.970 -2.403 -5.712
383 HD23 LEU 52 HD23 LEU 52 -4.644 -2.624 -4.098
384 H GLU 53 HN GLU 53 -4.367 2.735 -5.894
385 HA GLU 53 HA GLU 53 -6.943 3.613 -5.279
386 HB2 GLU 53 HB2 GLU 53 -4.948 5.196 -6.925
387 HB3 GLU 53 HB1 GLU 53 -6.348 5.728 -6.009
388 HG2 GLU 53 HG2 GLU 53 -5.289 5.340 -3.946
389 HG3 GLU 53 HG1 GLU 53 -3.901 4.583 -4.745
390 H SER 54 HN SER 54 -5.344 3.537 -8.454
391 HA SER 54 HA SER 54 -7.495 4.657 -9.855
392 HB2 SER 54 HB2 SER 54 -5.319 2.870 -10.961
393 HB3 SER 54 HB1 SER 54 -6.258 4.080 -11.844
394 HG SER 54 HG SER 54 -4.130 4.360 -10.103
395 H ARG 55 HN ARG 55 -6.636 1.338 -9.168
396 HA ARG 55 HA ARG 55 -8.544 0.252 -10.975
397 HB2 ARG 55 HB2 ARG 55 -6.556 -0.969 -10.686
398 HB3 ARG 55 HB1 ARG 55 -6.696 -0.946 -8.941
399 HG2 ARG 55 HG2 ARG 55 -8.443 -2.563 -8.991
400 HG3 ARG 55 HG1 ARG 55 -8.589 -2.431 -10.745
401 HD2 ARG 55 HD2 ARG 55 -7.308 -4.443 -9.817
402 HD3 ARG 55 HD1 ARG 55 -6.554 -3.528 -11.117
403 HE ARG 55 HE ARG 55 -5.233 -2.415 -9.353
404 HH11 ARG 55 HH11 ARG 55 -6.588 -5.627 -8.613
405 HH12 ARG 55 HH12 ARG 55 -5.303 -6.090 -7.622
406 HH21 ARG 55 HH21 ARG 55 -3.448 -3.092 -8.040
407 HH22 ARG 55 HH22 ARG 55 -3.448 -4.617 -7.270
408 H TYR 56 HN TYR 56 -8.570 0.870 -7.496
409 HA TYR 56 HA TYR 56 -11.176 -0.421 -7.516
410 HB2 TYR 56 HB2 TYR 56 -9.315 0.047 -5.207
411 HB3 TYR 56 HB1 TYR 56 -10.985 -0.503 -5.012
412 HD1 TYR 56 HD1 TYR 56 -11.710 -2.641 -5.971
413 HD2 TYR 56 HD2 TYR 56 -7.629 -1.452 -6.023
414 HE1 TYR 56 HE1 TYR 56 -11.059 -4.940 -6.518
415 HE2 TYR 56 HE2 TYR 56 -6.967 -3.753 -6.568
416 HH TYR 56 HH TYR 56 -9.153 -6.060 -7.640
417 H GLY 57 HN GLY 57 -10.046 2.582 -7.747
418 HA2 GLY 57 HA2 GLY 57 -11.365 4.455 -8.029
419 HA3 GLY 57 HA1 GLY 57 -12.718 3.572 -7.344
420 H VAL 58 HN VAL 58 -9.533 4.203 -5.951
421 HA VAL 58 HA VAL 58 -10.891 5.886 -3.984
422 HB VAL 58 HB VAL 58 -9.592 5.028 -2.119
423 HG11 VAL 58 HG11 VAL 58 -11.654 3.842 -2.604
424 HG12 VAL 58 HG12 VAL 58 -10.421 2.752 -1.945
425 HG13 VAL 58 HG13 VAL 58 -10.748 2.766 -3.680
426 HG21 VAL 58 HG21 VAL 58 -7.536 4.475 -3.355
427 HG22 VAL 58 HG22 VAL 58 -8.366 3.022 -3.991
428 HG23 VAL 58 HG23 VAL 58 -8.060 3.189 -2.272
429 H SER 59 HN SER 59 -9.143 7.102 -2.630
430 HA SER 59 HA SER 59 -6.834 7.756 -4.251
431 HB2 SER 59 HB2 SER 59 -8.919 9.706 -3.290
432 HB3 SER 59 HB1 SER 59 -7.306 10.191 -3.811
433 HG SER 59 HG SER 59 -7.853 8.910 -5.765
434 H ILE 60 HN ILE 60 -5.086 7.940 -3.099
435 HA ILE 60 HA ILE 60 -5.279 8.334 -0.191
436 HB ILE 60 HB ILE 60 -2.998 7.080 -1.789
437 HG12 ILE 60 HG12 ILE 60 -4.927 5.590 -1.780
438 HG13 ILE 60 HG11 ILE 60 -3.666 4.942 -0.736
439 HG21 ILE 60 HG21 ILE 60 -3.384 7.282 1.203
440 HG22 ILE 60 HG22 ILE 60 -2.204 8.182 0.254
441 HG23 ILE 60 HG23 ILE 60 -2.054 6.438 0.413
442 HD11 ILE 60 HD11 ILE 60 -5.858 4.670 0.264
443 HD12 ILE 60 HD12 ILE 60 -6.136 6.409 0.163
444 HD13 ILE 60 HD13 ILE 60 -4.875 5.777 1.223
445 HA PRO 61 HA PRO 61 -3.687 12.365 -1.447
446 HB2 PRO 61 HB2 PRO 61 -3.379 12.624 1.498
447 HB3 PRO 61 HB1 PRO 61 -4.224 13.687 0.367
448 HG2 PRO 61 HG2 PRO 61 -5.589 12.119 2.028
449 HG3 PRO 61 HG1 PRO 61 -6.139 12.371 0.359
450 HD2 PRO 61 HD2 PRO 61 -4.705 10.033 1.552
451 HD3 PRO 61 HD1 PRO 61 -6.041 10.054 0.381
452 H ASP 62 HN ASP 62 -1.615 12.802 -1.966
453 HA ASP 62 HA ASP 62 0.528 11.142 -1.389
454 HB2 ASP 62 HB2 ASP 62 1.984 12.799 -2.428
455 HB3 ASP 62 HB1 ASP 62 0.487 12.660 -3.334
456 H ASP 63 HN ASP 63 -0.519 14.011 0.285
457 HA ASP 63 HA ASP 63 1.650 14.455 1.990
458 HB2 ASP 63 HB2 ASP 63 -0.149 16.029 1.942
459 HB3 ASP 63 HB1 ASP 63 -1.314 14.805 2.436
460 H VAL 64 HN VAL 64 -1.108 12.338 2.327
461 HA VAL 64 HA VAL 64 -0.279 11.389 4.906
462 HB VAL 64 HB VAL 64 -2.439 10.243 3.118
463 HG11 VAL 64 HG11 VAL 64 -2.036 10.121 6.103
464 HG12 VAL 64 HG12 VAL 64 -1.794 8.801 4.957
465 HG13 VAL 64 HG13 VAL 64 -3.411 9.450 5.223
466 HG21 VAL 64 HG21 VAL 64 -2.683 12.435 5.182
467 HG22 VAL 64 HG22 VAL 64 -4.030 11.665 4.341
468 HG23 VAL 64 HG23 VAL 64 -2.858 12.622 3.437
469 H ALA 65 HN ALA 65 -0.321 10.240 1.581
470 HA ALA 65 HA ALA 65 0.466 7.597 1.940
471 HB1 ALA 65 HB1 ALA 65 1.215 9.412 -0.342
472 HB2 ALA 65 HB2 ALA 65 -0.290 8.494 -0.212
473 HB3 ALA 65 HB3 ALA 65 1.257 7.654 -0.360
474 H GLY 66 HN GLY 66 2.484 10.491 1.626
475 HA2 GLY 66 HA2 GLY 66 4.938 9.085 1.713
476 HA3 GLY 66 HA1 GLY 66 4.722 10.797 2.002
477 H ARG 67 HN ARG 67 2.647 9.546 4.144
478 HA ARG 67 HA ARG 67 4.667 9.404 6.273
479 HB2 ARG 67 HB2 ARG 67 1.918 10.625 6.360
480 HB3 ARG 67 HB1 ARG 67 2.941 10.381 7.766
481 HG2 ARG 67 HG2 ARG 67 4.613 11.880 6.795
482 HG3 ARG 67 HG1 ARG 67 3.557 12.134 5.402
483 HD2 ARG 67 HD2 ARG 67 2.830 12.758 8.260
484 HD3 ARG 67 HD1 ARG 67 3.413 13.937 7.092
485 HE ARG 67 HE ARG 67 1.422 13.618 5.843
486 HH11 ARG 67 HH11 ARG 67 1.307 12.218 9.139
487 HH12 ARG 67 HH12 ARG 67 -0.390 12.172 9.187
488 HH21 ARG 67 HH21 ARG 67 -0.837 13.718 6.013
489 HH22 ARG 67 HH22 ARG 67 -1.687 13.090 7.347
490 H VAL 68 HN VAL 68 2.562 7.447 4.649
491 HA VAL 68 HA VAL 68 1.282 6.244 6.884
492 HB VAL 68 HB VAL 68 0.655 4.336 5.354
493 HG11 VAL 68 HG11 VAL 68 0.016 7.099 4.375
494 HG12 VAL 68 HG12 VAL 68 -0.819 6.203 5.644
495 HG13 VAL 68 HG13 VAL 68 -0.884 5.636 3.974
496 HG21 VAL 68 HG21 VAL 68 2.499 4.362 3.756
497 HG22 VAL 68 HG22 VAL 68 2.047 5.998 3.260
498 HG23 VAL 68 HG23 VAL 68 0.969 4.660 2.915
499 H ASP 69 HN ASP 69 2.235 5.434 8.361
500 HA ASP 69 HA ASP 69 4.887 4.640 8.562
501 HB2 ASP 69 HB2 ASP 69 3.406 5.391 10.391
502 HB3 ASP 69 HB1 ASP 69 2.557 3.860 10.310
503 H THR 70 HN THR 70 2.042 2.493 8.498
504 HA THR 70 HA THR 70 3.842 0.250 7.839
505 HB THR 70 HB THR 70 2.195 -1.207 8.947
506 HG1 THR 70 HG1 THR 70 0.689 0.477 10.332
507 HG21 THR 70 HG21 THR 70 3.039 1.101 10.714
508 HG22 THR 70 HG22 THR 70 4.025 -0.306 10.321
509 HG23 THR 70 HG23 THR 70 2.555 -0.499 11.277
510 HA PRO 71 HA PRO 71 1.229 -0.510 4.214
511 HB2 PRO 71 HB2 PRO 71 0.970 -3.320 5.185
512 HB3 PRO 71 HB1 PRO 71 1.517 -2.733 3.606
513 HG2 PRO 71 HG2 PRO 71 3.259 -3.699 5.341
514 HG3 PRO 71 HG1 PRO 71 3.652 -2.243 4.406
515 HD2 PRO 71 HD2 PRO 71 2.752 -2.481 7.250
516 HD3 PRO 71 HD1 PRO 71 4.013 -1.442 6.552
517 H ARG 72 HN ARG 72 0.299 -1.556 7.396
518 HA ARG 72 HA ARG 72 -2.442 -2.087 6.996
519 HB2 ARG 72 HB2 ARG 72 -0.790 -1.304 9.357
520 HB3 ARG 72 HB1 ARG 72 -2.548 -1.441 9.534
521 HG2 ARG 72 HG2 ARG 72 -2.295 -3.814 8.884
522 HG3 ARG 72 HG1 ARG 72 -0.551 -3.568 8.769
523 HD2 ARG 72 HD2 ARG 72 -0.512 -2.909 11.153
524 HD3 ARG 72 HD1 ARG 72 -2.240 -3.235 11.254
525 HE ARG 72 HE ARG 72 -1.552 -5.577 10.514
526 HH11 ARG 72 HH11 ARG 72 0.258 -3.538 12.779
527 HH12 ARG 72 HH12 ARG 72 1.179 -4.821 13.430
528 HH21 ARG 72 HH21 ARG 72 -0.274 -7.358 11.446
529 HH22 ARG 72 HH22 ARG 72 0.884 -7.033 12.638
530 H GLU 73 HN GLU 73 -0.608 0.866 7.530
531 HA GLU 73 HA GLU 73 -2.791 2.593 8.034
532 HB2 GLU 73 HB2 GLU 73 -0.088 3.184 6.817
533 HB3 GLU 73 HB1 GLU 73 -1.230 4.404 7.350
534 HG2 GLU 73 HG2 GLU 73 0.020 2.327 9.126
535 HG3 GLU 73 HG1 GLU 73 0.603 3.977 8.941
536 H LEU 74 HN LEU 74 -1.035 1.806 5.066
537 HA LEU 74 HA LEU 74 -2.502 3.493 3.334
538 HB2 LEU 74 HB2 LEU 74 -0.235 2.195 2.965
539 HB3 LEU 74 HB1 LEU 74 -1.283 0.887 2.469
540 HG LEU 74 HG LEU 74 -1.241 3.573 1.085
541 HD11 LEU 74 HD11 LEU 74 0.180 1.019 0.367
542 HD12 LEU 74 HD12 LEU 74 0.936 2.517 0.908
543 HD13 LEU 74 HD13 LEU 74 0.091 2.463 -0.639
544 HD21 LEU 74 HD21 LEU 74 -2.314 0.882 0.221
545 HD22 LEU 74 HD22 LEU 74 -2.330 2.362 -0.740
546 HD23 LEU 74 HD23 LEU 74 -3.293 2.257 0.733
547 H LEU 75 HN LEU 75 -2.851 0.071 4.185
548 HA LEU 75 HA LEU 75 -5.064 -0.420 2.533
549 HB2 LEU 75 HB2 LEU 75 -3.715 -2.241 3.335
550 HB3 LEU 75 HB1 LEU 75 -4.083 -1.848 4.997
551 HG LEU 75 HG LEU 75 -6.382 -2.600 4.714
552 HD11 LEU 75 HD11 LEU 75 -6.708 -1.923 2.375
553 HD12 LEU 75 HD12 LEU 75 -7.186 -3.585 2.648
554 HD13 LEU 75 HD13 LEU 75 -5.649 -3.233 1.848
555 HD21 LEU 75 HD21 LEU 75 -4.697 -4.256 5.309
556 HD22 LEU 75 HD22 LEU 75 -4.391 -4.573 3.601
557 HD23 LEU 75 HD23 LEU 75 -5.957 -4.973 4.307
558 H ASP 76 HN ASP 76 -4.833 0.822 5.807
559 HA ASP 76 HA ASP 76 -7.593 0.543 6.432
560 HB2 ASP 76 HB2 ASP 76 -5.856 0.796 8.176
561 HB3 ASP 76 HB1 ASP 76 -5.530 2.427 7.608
562 H LEU 77 HN LEU 77 -5.620 3.115 5.103
563 HA LEU 77 HA LEU 77 -7.591 5.109 4.951
564 HB2 LEU 77 HB2 LEU 77 -5.233 4.605 3.153
565 HB3 LEU 77 HB1 LEU 77 -6.197 6.061 3.140
566 HG LEU 77 HG LEU 77 -4.442 5.102 5.404
567 HD11 LEU 77 HD11 LEU 77 -3.209 5.921 3.496
568 HD12 LEU 77 HD12 LEU 77 -3.105 7.049 4.845
569 HD13 LEU 77 HD13 LEU 77 -4.175 7.395 3.487
570 HD21 LEU 77 HD21 LEU 77 -6.092 7.619 5.145
571 HD22 LEU 77 HD22 LEU 77 -4.971 7.249 6.454
572 HD23 LEU 77 HD23 LEU 77 -6.428 6.278 6.239
573 H ILE 78 HN ILE 78 -6.572 2.670 2.578
574 HA ILE 78 HA ILE 78 -8.537 3.401 0.682
575 HB ILE 78 HB ILE 78 -6.996 0.799 0.959
576 HG12 ILE 78 HG12 ILE 78 -6.657 3.225 -0.798
577 HG13 ILE 78 HG11 ILE 78 -5.533 2.588 0.395
578 HG21 ILE 78 HG21 ILE 78 -9.084 0.351 -0.207
579 HG22 ILE 78 HG22 ILE 78 -7.714 0.252 -1.314
580 HG23 ILE 78 HG23 ILE 78 -8.757 1.675 -1.327
581 HD11 ILE 78 HD11 ILE 78 -6.343 1.247 -2.149
582 HD12 ILE 78 HD12 ILE 78 -5.159 0.619 -0.999
583 HD13 ILE 78 HD13 ILE 78 -4.833 2.125 -1.915
584 H ASN 79 HN ASN 79 -8.538 1.213 3.383
585 HA ASN 79 HA ASN 79 -10.799 -0.306 2.778
586 HB2 ASN 79 HB2 ASN 79 -9.003 -0.096 4.919
587 HB3 ASN 79 HB1 ASN 79 -10.590 0.203 5.621
588 HD21 ASN 79 HD21 ASN 79 -8.682 -2.034 3.771
589 HD22 ASN 79 HD22 ASN 79 -9.576 -3.461 4.120
590 H GLY 80 HN GLY 80 -10.546 2.727 4.597
591 HA2 GLY 80 HA2 GLY 80 -13.321 2.970 5.117
592 HA3 GLY 80 HA1 GLY 80 -12.155 4.287 5.150
593 H ALA 81 HN ALA 81 -11.320 3.966 2.438
594 HA ALA 81 HA ALA 81 -13.319 5.551 1.170
595 HB1 ALA 81 HB1 ALA 81 -10.780 4.360 0.045
596 HB2 ALA 81 HB2 ALA 81 -10.918 5.932 0.820
597 HB3 ALA 81 HB3 ALA 81 -11.746 5.628 -0.707
598 H LEU 82 HN LEU 82 -12.166 2.238 0.833
599 HA LEU 82 HA LEU 82 -13.756 1.541 -1.393
600 HB2 LEU 82 HB2 LEU 82 -12.356 -0.093 0.687
601 HB3 LEU 82 HB1 LEU 82 -13.403 -0.848 -0.487
602 HG LEU 82 HG LEU 82 -10.854 0.683 -1.104
603 HD11 LEU 82 HD11 LEU 82 -10.043 -1.486 -1.799
604 HD12 LEU 82 HD12 LEU 82 -11.566 -2.233 -1.315
605 HD13 LEU 82 HD13 LEU 82 -10.511 -1.512 -0.101
606 HD21 LEU 82 HD21 LEU 82 -12.576 0.999 -2.833
607 HD22 LEU 82 HD22 LEU 82 -12.788 -0.751 -2.926
608 HD23 LEU 82 HD23 LEU 82 -11.250 -0.021 -3.391
609 H ALA 83 HN ALA 83 -14.456 1.737 1.988
610 HA ALA 83 HA ALA 83 -16.791 0.162 1.946
611 HB1 ALA 83 HB1 ALA 83 -15.721 0.869 4.039
612 HB2 ALA 83 HB2 ALA 83 -17.415 1.352 4.001
613 HB3 ALA 83 HB3 ALA 83 -16.148 2.544 3.697
614 H GLU 84 HN GLU 84 -16.097 3.440 1.008
615 HA GLU 84 HA GLU 84 -18.879 4.103 0.606
616 HB2 GLU 84 HB2 GLU 84 -16.377 5.618 -0.162
617 HB3 GLU 84 HB1 GLU 84 -18.016 6.232 -0.288
618 HG2 GLU 84 HG2 GLU 84 -16.525 5.535 2.226
619 HG3 GLU 84 HG1 GLU 84 -16.970 7.144 1.660
620 H ALA 85 HN ALA 85 -16.005 3.509 -1.356
621 HA ALA 85 HA ALA 85 -17.451 3.757 -3.838
622 HB1 ALA 85 HB1 ALA 85 -15.158 4.579 -3.599
623 HB2 ALA 85 HB2 ALA 85 -15.298 3.385 -4.888
624 HB3 ALA 85 HB3 ALA 85 -14.596 2.929 -3.335
625 H ALA 86 HN ALA 86 -17.880 1.434 -1.847
626 HA ALA 86 HA ALA 86 -17.142 -0.942 -3.207
627 HB1 ALA 86 HB1 ALA 86 -18.691 -2.066 -1.673
628 HB2 ALA 86 HB2 ALA 86 -19.338 -0.502 -1.177
629 HB3 ALA 86 HB3 ALA 86 -17.663 -0.921 -0.808
630 H28 SXM 87 H28A SXM 87 8.490 13.064 0.692
631 H28A SXM 87 H28B SXM 87 8.622 13.521 -1.000
632 H30 SXM 87 H30A SXM 87 5.904 12.213 -1.709
633 H30A SXM 87 H30B SXM 87 6.530 13.731 -2.355
634 H30B SXM 87 H30C SXM 87 4.957 13.693 -1.557
635 H31 SXM 87 H31C SXM 87 4.820 13.387 0.911
636 H31A SXM 87 H31A SXM 87 6.297 13.135 1.842
637 H31B SXM 87 H31B SXM 87 5.728 11.884 0.737
638 H32 SXM 87 H32A SXM 87 5.757 15.539 0.246
639 HO33 SXM 87 H33A SXM 87 7.871 15.197 -1.586
640 HN36 SXM 87 H36A SXM 87 8.407 16.741 -0.274
641 H37 SXM 87 H37B SXM 87 10.251 16.239 1.857
642 H37A SXM 87 H37A SXM 87 9.328 17.710 2.142
643 H38 SXM 87 H38A SXM 87 10.834 17.043 -0.381
644 H38A SXM 87 H38B SXM 87 10.124 18.616 0.017
645 HN41 SXM 87 H41A SXM 87 12.432 18.701 -0.868
646 H42 SXM 87 H42A SXM 87 14.212 19.701 1.150
647 H42A SXM 87 H42B SXM 87 14.749 18.204 0.425
648 H43 SXM 87 H43A SXM 87 14.316 20.782 -1.052
649 H43A SXM 87 H43B SXM 87 14.387 19.201 -1.812
650 H2 SXM 87 H2A SXM 87 18.737 18.536 -0.886
651 H2A SXM 87 H2B SXM 87 18.498 17.178 -1.971
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -21.867 -6.592 -0.795
2 H2 MET 1 HT2 MET 1 -21.775 -4.935 -0.589
3 H3 MET 1 HT3 MET 1 -22.431 -5.880 0.653
4 HA MET 1 HA MET 1 -20.222 -5.134 1.187
5 HB2 MET 1 HB2 MET 1 -20.193 -8.050 0.354
6 HB3 MET 1 HB1 MET 1 -18.980 -7.291 1.370
7 HG2 MET 1 HG2 MET 1 -20.723 -6.830 3.042
8 HG3 MET 1 HG1 MET 1 -21.884 -7.676 2.025
9 HE1 MET 1 HE1 MET 1 -19.985 -10.059 0.896
10 HE2 MET 1 HE2 MET 1 -21.651 -10.313 1.413
11 HE3 MET 1 HE3 MET 1 -20.367 -11.340 2.045
12 H ALA 2 HN ALA 2 -18.254 -4.559 0.541
13 HA ALA 2 HA ALA 2 -17.666 -4.921 -2.301
14 HB1 ALA 2 HB1 ALA 2 -16.672 -2.850 -0.329
15 HB2 ALA 2 HB2 ALA 2 -17.881 -2.582 -1.585
16 HB3 ALA 2 HB3 ALA 2 -16.214 -2.949 -2.030
17 H THR 3 HN THR 3 -15.896 -6.068 -2.805
18 HA THR 3 HA THR 3 -14.469 -7.386 -0.670
19 HB THR 3 HB THR 3 -14.047 -7.449 -3.609
20 HG1 THR 3 HG1 THR 3 -16.025 -8.456 -2.014
21 HG21 THR 3 HG21 THR 3 -13.307 -9.437 -1.446
22 HG22 THR 3 HG22 THR 3 -12.186 -8.401 -2.328
23 HG23 THR 3 HG23 THR 3 -13.045 -9.688 -3.173
24 H LEU 4 HN LEU 4 -13.013 -6.182 0.296
25 HA LEU 4 HA LEU 4 -11.762 -3.924 -0.992
26 HB2 LEU 4 HB2 LEU 4 -11.071 -5.058 1.715
27 HB3 LEU 4 HB1 LEU 4 -10.840 -3.419 1.143
28 HG LEU 4 HG LEU 4 -13.390 -4.770 1.838
29 HD11 LEU 4 HD11 LEU 4 -13.593 -3.010 3.549
30 HD12 LEU 4 HD12 LEU 4 -11.953 -2.496 3.156
31 HD13 LEU 4 HD13 LEU 4 -12.243 -4.117 3.808
32 HD21 LEU 4 HD21 LEU 4 -14.527 -2.616 1.432
33 HD22 LEU 4 HD22 LEU 4 -13.827 -3.311 -0.031
34 HD23 LEU 4 HD23 LEU 4 -13.015 -1.976 0.789
35 H LEU 5 HN LEU 5 -9.323 -3.743 -0.463
36 HA LEU 5 HA LEU 5 -8.016 -5.924 -1.728
37 HB2 LEU 5 HB2 LEU 5 -6.897 -3.445 -0.347
38 HB3 LEU 5 HB1 LEU 5 -5.938 -4.630 -1.217
39 HG LEU 5 HG LEU 5 -8.073 -2.858 -2.369
40 HD11 LEU 5 HD11 LEU 5 -6.057 -1.662 -1.751
41 HD12 LEU 5 HD12 LEU 5 -6.190 -1.788 -3.507
42 HD13 LEU 5 HD13 LEU 5 -5.073 -2.831 -2.627
43 HD21 LEU 5 HD21 LEU 5 -6.232 -4.841 -3.692
44 HD22 LEU 5 HD22 LEU 5 -7.322 -3.733 -4.523
45 HD23 LEU 5 HD23 LEU 5 -7.976 -5.011 -3.497
46 H THR 6 HN THR 6 -7.105 -7.657 -0.745
47 HA THR 6 HA THR 6 -7.339 -7.797 2.107
48 HB THR 6 HB THR 6 -6.452 -10.099 1.838
49 HG1 THR 6 HG1 THR 6 -6.534 -9.656 -0.964
50 HG21 THR 6 HG21 THR 6 -8.657 -9.423 -0.127
51 HG22 THR 6 HG22 THR 6 -8.876 -9.727 1.595
52 HG23 THR 6 HG23 THR 6 -8.329 -11.024 0.534
53 H THR 7 HN THR 7 -5.126 -9.194 2.875
54 HA THR 7 HA THR 7 -3.173 -7.137 2.880
55 HB THR 7 HB THR 7 -2.985 -9.941 4.003
56 HG1 THR 7 HG1 THR 7 -3.780 -8.694 5.958
57 HG21 THR 7 HG21 THR 7 -1.501 -8.845 5.634
58 HG22 THR 7 HG22 THR 7 -1.759 -7.297 4.823
59 HG23 THR 7 HG23 THR 7 -0.913 -8.595 3.988
60 H ASP 8 HN ASP 8 -3.837 -10.124 1.285
61 HA ASP 8 HA ASP 8 -1.224 -10.411 0.150
62 HB2 ASP 8 HB2 ASP 8 -2.624 -12.367 0.544
63 HB3 ASP 8 HB1 ASP 8 -3.815 -11.754 -0.598
64 H ASP 9 HN ASP 9 -4.333 -9.126 -0.907
65 HA ASP 9 HA ASP 9 -3.616 -8.491 -3.576
66 HB2 ASP 9 HB2 ASP 9 -5.498 -6.997 -1.725
67 HB3 ASP 9 HB1 ASP 9 -5.259 -6.558 -3.404
68 H LEU 10 HN LEU 10 -3.328 -6.711 -0.586
69 HA LEU 10 HA LEU 10 -1.991 -4.452 -1.525
70 HB2 LEU 10 HB2 LEU 10 -2.935 -4.657 0.727
71 HB3 LEU 10 HB1 LEU 10 -1.764 -5.897 1.113
72 HG LEU 10 HG LEU 10 0.041 -4.204 0.839
73 HD11 LEU 10 HD11 LEU 10 -2.260 -2.266 0.685
74 HD12 LEU 10 HD12 LEU 10 -1.121 -2.640 -0.608
75 HD13 LEU 10 HD13 LEU 10 -0.556 -1.840 0.860
76 HD21 LEU 10 HD21 LEU 10 -0.800 -4.807 3.025
77 HD22 LEU 10 HD22 LEU 10 -2.100 -3.630 2.864
78 HD23 LEU 10 HD23 LEU 10 -0.425 -3.081 2.974
79 H ARG 11 HN ARG 11 -0.743 -7.444 -0.094
80 HA ARG 11 HA ARG 11 1.955 -7.185 -0.196
81 HB2 ARG 11 HB2 ARG 11 0.925 -9.120 0.755
82 HB3 ARG 11 HB1 ARG 11 0.268 -9.602 -0.795
83 HG2 ARG 11 HG2 ARG 11 2.565 -10.026 -1.601
84 HG3 ARG 11 HG1 ARG 11 3.172 -9.615 0.010
85 HD2 ARG 11 HD2 ARG 11 1.178 -11.805 -0.563
86 HD3 ARG 11 HD1 ARG 11 2.912 -12.057 -0.371
87 HE ARG 11 HE ARG 11 2.624 -11.078 1.871
88 HH11 ARG 11 HH11 ARG 11 -0.118 -12.763 0.284
89 HH12 ARG 11 HH12 ARG 11 -0.808 -13.274 1.748
90 HH21 ARG 11 HH21 ARG 11 1.586 -11.807 3.890
91 HH22 ARG 11 HH22 ARG 11 0.127 -12.667 3.825
92 H ARG 12 HN ARG 12 0.073 -8.609 -2.896
93 HA ARG 12 HA ARG 12 2.490 -8.761 -4.404
94 HB2 ARG 12 HB2 ARG 12 -0.327 -9.371 -5.292
95 HB3 ARG 12 HB1 ARG 12 1.118 -9.686 -6.249
96 HG2 ARG 12 HG2 ARG 12 0.489 -10.906 -3.558
97 HG3 ARG 12 HG1 ARG 12 0.339 -11.714 -5.119
98 HD2 ARG 12 HD2 ARG 12 2.747 -11.629 -5.457
99 HD3 ARG 12 HD1 ARG 12 2.957 -10.602 -4.056
100 HE ARG 12 HE ARG 12 1.740 -13.107 -3.433
101 HH11 ARG 12 HH11 ARG 12 4.878 -11.622 -4.123
102 HH12 ARG 12 HH12 ARG 12 5.719 -12.495 -2.926
103 HH21 ARG 12 HH21 ARG 12 2.871 -14.318 -1.791
104 HH22 ARG 12 HH22 ARG 12 4.540 -14.065 -1.547
105 H ALA 13 HN ALA 13 0.146 -6.312 -4.176
106 HA ALA 13 HA ALA 13 1.077 -5.030 -6.586
107 HB1 ALA 13 HB1 ALA 13 -1.179 -4.591 -5.730
108 HB2 ALA 13 HB2 ALA 13 -0.228 -3.107 -5.788
109 HB3 ALA 13 HB3 ALA 13 -0.492 -3.927 -4.248
110 H LEU 14 HN LEU 14 1.605 -4.849 -3.141
111 HA LEU 14 HA LEU 14 3.286 -2.641 -2.914
112 HB2 LEU 14 HB2 LEU 14 2.074 -3.946 -1.115
113 HB3 LEU 14 HB1 LEU 14 3.315 -5.164 -1.252
114 HG LEU 14 HG LEU 14 4.975 -3.394 -0.565
115 HD11 LEU 14 HD11 LEU 14 3.653 -1.436 -1.116
116 HD12 LEU 14 HD12 LEU 14 4.094 -1.435 0.592
117 HD13 LEU 14 HD13 LEU 14 2.459 -1.880 0.102
118 HD21 LEU 14 HD21 LEU 14 2.765 -4.093 1.363
119 HD22 LEU 14 HD22 LEU 14 4.379 -3.538 1.804
120 HD23 LEU 14 HD23 LEU 14 4.175 -5.086 0.984
121 H VAL 15 HN VAL 15 3.984 -6.074 -3.346
122 HA VAL 15 HA VAL 15 6.803 -5.906 -3.315
123 HB VAL 15 HB VAL 15 5.066 -7.984 -4.696
124 HG11 VAL 15 HG11 VAL 15 7.033 -9.430 -4.544
125 HG12 VAL 15 HG12 VAL 15 7.960 -8.090 -3.876
126 HG13 VAL 15 HG13 VAL 15 7.350 -8.003 -5.530
127 HG21 VAL 15 HG21 VAL 15 5.454 -9.340 -2.695
128 HG22 VAL 15 HG22 VAL 15 4.618 -7.840 -2.301
129 HG23 VAL 15 HG23 VAL 15 6.341 -8.005 -1.962
130 H GLU 16 HN GLU 16 4.492 -5.744 -5.982
131 HA GLU 16 HA GLU 16 6.403 -5.708 -8.047
132 HB2 GLU 16 HB2 GLU 16 3.519 -4.934 -7.890
133 HB3 GLU 16 HB1 GLU 16 4.455 -4.620 -9.349
134 HG2 GLU 16 HG2 GLU 16 4.278 -7.329 -8.080
135 HG3 GLU 16 HG1 GLU 16 3.135 -6.757 -9.297
136 H SER 17 HN SER 17 4.604 -3.053 -6.521
137 HA SER 17 HA SER 17 6.027 -1.095 -7.998
138 HB2 SER 17 HB2 SER 17 4.257 -0.847 -5.582
139 HB3 SER 17 HB1 SER 17 4.765 0.471 -6.638
140 HG SER 17 HG SER 17 3.036 -0.004 -7.675
141 H ALA 18 HN ALA 18 6.982 -2.966 -5.466
142 HA ALA 18 HA ALA 18 8.455 -1.162 -3.825
143 HB1 ALA 18 HB1 ALA 18 9.606 -3.157 -3.021
144 HB2 ALA 18 HB2 ALA 18 8.910 -4.093 -4.345
145 HB3 ALA 18 HB3 ALA 18 7.862 -3.420 -3.100
146 H GLY 19 HN GLY 19 8.959 -2.495 -6.922
147 HA2 GLY 19 HA2 GLY 19 11.263 -1.024 -7.437
148 HA3 GLY 19 HA1 GLY 19 11.724 -2.681 -7.044
149 H GLU 20 HN GLU 20 12.008 -3.860 -8.781
150 HA GLU 20 HA GLU 20 10.141 -3.500 -11.009
151 HB2 GLU 20 HB2 GLU 20 12.219 -2.207 -11.372
152 HB3 GLU 20 HB1 GLU 20 13.133 -3.700 -11.233
153 HG2 GLU 20 HG2 GLU 20 11.979 -4.578 -13.195
154 HG3 GLU 20 HG1 GLU 20 11.082 -3.065 -13.332
155 H THR 21 HN THR 21 9.203 -5.391 -11.293
156 HA THR 21 HA THR 21 8.797 -7.562 -11.663
157 HB THR 21 HB THR 21 11.785 -7.924 -11.984
158 HG1 THR 21 HG1 THR 21 11.620 -6.879 -13.819
159 HG21 THR 21 HG21 THR 21 11.131 -9.739 -13.533
160 HG22 THR 21 HG22 THR 21 9.430 -9.403 -13.199
161 HG23 THR 21 HG23 THR 21 10.478 -10.012 -11.917
162 H ASP 22 HN ASP 22 8.195 -7.493 -9.436
163 HA ASP 22 HA ASP 22 8.114 -8.135 -7.278
164 HB2 ASP 22 HB2 ASP 22 8.239 -10.388 -8.338
165 HB3 ASP 22 HB1 ASP 22 9.998 -10.352 -8.146
166 H GLY 23 HN GLY 23 9.079 -6.293 -6.557
167 HA2 GLY 23 HA2 GLY 23 11.927 -5.993 -6.522
168 HA3 GLY 23 HA1 GLY 23 10.747 -4.874 -5.869
169 H THR 24 HN THR 24 9.558 -5.883 -3.896
170 HA THR 24 HA THR 24 11.535 -7.131 -2.123
171 HB THR 24 HB THR 24 9.696 -4.805 -1.458
172 HG1 THR 24 HG1 THR 24 11.953 -4.817 -2.775
173 HG21 THR 24 HG21 THR 24 11.016 -4.688 0.628
174 HG22 THR 24 HG22 THR 24 11.954 -6.090 0.115
175 HG23 THR 24 HG23 THR 24 10.234 -6.260 0.469
176 H ASP 25 HN ASP 25 10.490 -9.076 -2.170
177 HA ASP 25 HA ASP 25 7.697 -9.466 -2.045
178 HB2 ASP 25 HB2 ASP 25 9.155 -11.193 -2.906
179 HB3 ASP 25 HB1 ASP 25 9.959 -11.335 -1.347
180 H LEU 26 HN LEU 26 6.344 -9.289 -0.414
181 HA LEU 26 HA LEU 26 7.393 -9.627 2.290
182 HB2 LEU 26 HB2 LEU 26 5.073 -7.915 1.388
183 HB3 LEU 26 HB1 LEU 26 5.288 -8.378 3.053
184 HG LEU 26 HG LEU 26 6.047 -6.200 2.913
185 HD11 LEU 26 HD11 LEU 26 7.502 -7.528 4.218
186 HD12 LEU 26 HD12 LEU 26 8.425 -6.268 3.393
187 HD13 LEU 26 HD13 LEU 26 8.475 -7.934 2.804
188 HD21 LEU 26 HD21 LEU 26 7.678 -5.359 1.286
189 HD22 LEU 26 HD22 LEU 26 6.201 -5.936 0.519
190 HD23 LEU 26 HD23 LEU 26 7.661 -6.927 0.479
191 H SER 27 HN SER 27 7.056 -11.957 1.572
192 HA SER 27 HA SER 27 4.304 -12.794 1.902
193 HB2 SER 27 HB2 SER 27 6.829 -14.433 1.599
194 HB3 SER 27 HB1 SER 27 5.185 -15.085 1.584
195 HG SER 27 HG SER 27 6.480 -13.415 -0.279
196 H GLY 28 HN GLY 28 3.472 -13.725 3.705
197 HA2 GLY 28 HA2 GLY 28 3.739 -14.654 5.935
198 HA3 GLY 28 HA1 GLY 28 5.184 -13.656 6.116
199 H ASP 29 HN ASP 29 4.178 -12.746 8.080
200 HA ASP 29 HA ASP 29 1.904 -11.001 7.500
201 HB2 ASP 29 HB2 ASP 29 1.844 -12.520 9.531
202 HB3 ASP 29 HB1 ASP 29 3.156 -11.556 10.203
203 H PHE 30 HN PHE 30 2.276 -8.948 7.073
204 HA PHE 30 HA PHE 30 4.860 -7.809 7.946
205 HB2 PHE 30 HB2 PHE 30 5.141 -6.775 5.720
206 HB3 PHE 30 HB1 PHE 30 5.132 -8.529 5.658
207 HD1 PHE 30 HD2 PHE 30 3.177 -9.714 4.699
208 HD2 PHE 30 HD1 PHE 30 3.478 -5.484 4.609
209 HE1 PHE 30 HE2 PHE 30 1.431 -9.625 2.978
210 HE2 PHE 30 HE1 PHE 30 1.730 -5.389 2.888
211 HZ PHE 30 HZ PHE 30 0.707 -7.462 2.072
212 H LEU 31 HN LEU 31 1.954 -7.384 8.754
213 HA LEU 31 HA LEU 31 1.097 -4.887 7.763
214 HB2 LEU 31 HB2 LEU 31 0.280 -6.396 10.227
215 HB3 LEU 31 HB1 LEU 31 -0.387 -4.831 9.837
216 HG LEU 31 HG LEU 31 -1.934 -6.505 9.179
217 HD11 LEU 31 HD11 LEU 31 -1.817 -4.604 7.720
218 HD12 LEU 31 HD12 LEU 31 -2.194 -6.056 6.790
219 HD13 LEU 31 HD13 LEU 31 -0.566 -5.382 6.753
220 HD21 LEU 31 HD21 LEU 31 0.271 -7.728 7.533
221 HD22 LEU 31 HD22 LEU 31 -1.419 -8.235 7.524
222 HD23 LEU 31 HD23 LEU 31 -0.451 -8.410 8.991
223 H ASP 32 HN ASP 32 3.125 -5.661 10.521
224 HA ASP 32 HA ASP 32 3.081 -2.811 11.224
225 HB2 ASP 32 HB2 ASP 32 4.048 -3.376 13.398
226 HB3 ASP 32 HB1 ASP 32 2.569 -4.271 13.112
227 H LEU 33 HN LEU 33 4.721 -4.301 9.100
228 HA LEU 33 HA LEU 33 7.400 -3.623 9.941
229 HB2 LEU 33 HB2 LEU 33 6.353 -4.504 7.243
230 HB3 LEU 33 HB1 LEU 33 8.043 -4.211 7.602
231 HG LEU 33 HG LEU 33 6.305 -6.384 8.771
232 HD11 LEU 33 HD11 LEU 33 8.672 -6.485 6.914
233 HD12 LEU 33 HD12 LEU 33 6.992 -6.798 6.482
234 HD13 LEU 33 HD13 LEU 33 7.834 -7.880 7.594
235 HD21 LEU 33 HD21 LEU 33 9.212 -5.753 9.304
236 HD22 LEU 33 HD22 LEU 33 8.340 -7.174 9.884
237 HD23 LEU 33 HD23 LEU 33 7.880 -5.567 10.445
238 H ARG 34 HN ARG 34 8.655 -1.974 9.037
239 HA ARG 34 HA ARG 34 6.999 0.346 8.318
240 HB2 ARG 34 HB2 ARG 34 9.847 0.215 9.315
241 HB3 ARG 34 HB1 ARG 34 8.975 1.694 8.938
242 HG2 ARG 34 HG2 ARG 34 7.370 1.207 10.712
243 HG3 ARG 34 HG1 ARG 34 8.228 -0.287 11.082
244 HD2 ARG 34 HD2 ARG 34 9.376 2.497 11.264
245 HD3 ARG 34 HD1 ARG 34 8.822 1.526 12.626
246 HE ARG 34 HE ARG 34 10.640 -0.094 11.526
247 HH11 ARG 34 HH11 ARG 34 10.832 3.266 12.645
248 HH12 ARG 34 HH12 ARG 34 12.535 3.261 12.734
249 HH21 ARG 34 HH21 ARG 34 12.910 -0.086 11.738
250 HH22 ARG 34 HH22 ARG 34 13.758 1.359 12.127
251 H PHE 35 HN PHE 35 7.226 1.399 6.454
252 HA PHE 35 HA PHE 35 8.471 0.130 4.282
253 HB2 PHE 35 HB2 PHE 35 7.368 2.932 4.511
254 HB3 PHE 35 HB1 PHE 35 7.964 2.246 3.003
255 HD1 PHE 35 HD2 PHE 35 6.949 -0.344 2.777
256 HD2 PHE 35 HD1 PHE 35 5.067 3.019 4.573
257 HE1 PHE 35 HE2 PHE 35 4.753 -1.357 2.368
258 HE2 PHE 35 HE1 PHE 35 2.874 2.009 4.176
259 HZ PHE 35 HZ PHE 35 2.708 -0.182 3.069
260 H GLU 36 HN GLU 36 9.554 2.805 6.296
261 HA GLU 36 HA GLU 36 11.872 3.513 4.872
262 HB2 GLU 36 HB2 GLU 36 12.710 4.417 6.991
263 HB3 GLU 36 HB1 GLU 36 11.015 4.830 6.762
264 HG2 GLU 36 HG2 GLU 36 10.313 3.240 8.369
265 HG3 GLU 36 HG1 GLU 36 11.901 2.482 8.420
266 H ASP 37 HN ASP 37 11.149 0.777 6.782
267 HA ASP 37 HA ASP 37 13.893 0.031 7.317
268 HB2 ASP 37 HB2 ASP 37 12.153 -0.346 9.002
269 HB3 ASP 37 HB1 ASP 37 11.280 -1.374 7.879
270 H ILE 38 HN ILE 38 11.118 -1.200 5.500
271 HA ILE 38 HA ILE 38 12.727 -3.278 4.341
272 HB ILE 38 HB ILE 38 10.661 -3.998 3.154
273 HG12 ILE 38 HG12 ILE 38 9.376 -1.735 4.719
274 HG13 ILE 38 HG11 ILE 38 9.558 -1.791 2.971
275 HG21 ILE 38 HG21 ILE 38 9.519 -4.768 5.194
276 HG22 ILE 38 HG22 ILE 38 10.457 -3.598 6.131
277 HG23 ILE 38 HG23 ILE 38 11.276 -4.921 5.300
278 HD11 ILE 38 HD11 ILE 38 8.059 -3.726 2.887
279 HD12 ILE 38 HD12 ILE 38 7.289 -2.333 3.645
280 HD13 ILE 38 HD13 ILE 38 7.887 -3.661 4.641
281 H GLY 39 HN GLY 39 13.364 -0.553 3.629
282 HA2 GLY 39 HA2 GLY 39 14.370 0.452 1.805
283 HA3 GLY 39 HA1 GLY 39 14.192 -1.081 0.978
284 H TYR 40 HN TYR 40 11.641 1.053 2.192
285 HA TYR 40 HA TYR 40 10.710 1.290 -0.561
286 HB2 TYR 40 HB2 TYR 40 9.276 1.249 2.046
287 HB3 TYR 40 HB1 TYR 40 8.595 2.167 0.715
288 HD1 TYR 40 HD1 TYR 40 10.255 -1.153 1.046
289 HD2 TYR 40 HD2 TYR 40 6.864 1.039 -0.280
290 HE1 TYR 40 HE1 TYR 40 9.263 -3.213 0.227
291 HE2 TYR 40 HE2 TYR 40 5.849 -1.022 -1.133
292 HH TYR 40 HH TYR 40 7.023 -4.106 -0.360
293 H ASP 41 HN ASP 41 11.645 3.052 -1.347
294 HA ASP 41 HA ASP 41 11.651 5.542 0.072
295 HB2 ASP 41 HB2 ASP 41 13.180 5.178 -1.870
296 HB3 ASP 41 HB1 ASP 41 11.787 4.975 -2.926
297 H SER 42 HN SER 42 10.109 7.299 -0.435
298 HA SER 42 HA SER 42 7.509 6.353 -0.403
299 HB2 SER 42 HB2 SER 42 7.085 8.888 -0.923
300 HB3 SER 42 HB1 SER 42 7.615 8.366 0.670
301 H LEU 43 HN LEU 43 9.530 7.142 -3.122
302 HA LEU 43 HA LEU 43 7.525 7.494 -5.053
303 HB2 LEU 43 HB2 LEU 43 9.815 7.926 -5.628
304 HB3 LEU 43 HB1 LEU 43 10.284 6.291 -5.222
305 HG LEU 43 HG LEU 43 9.119 5.434 -7.183
306 HD11 LEU 43 HD11 LEU 43 7.290 7.021 -7.308
307 HD12 LEU 43 HD12 LEU 43 8.141 6.917 -8.840
308 HD13 LEU 43 HD13 LEU 43 8.406 8.306 -7.776
309 HD21 LEU 43 HD21 LEU 43 10.552 6.420 -8.897
310 HD22 LEU 43 HD22 LEU 43 11.435 6.118 -7.401
311 HD23 LEU 43 HD23 LEU 43 10.927 7.757 -7.809
312 H ALA 44 HN ALA 44 9.148 4.579 -3.901
313 HA ALA 44 HA ALA 44 7.705 2.727 -5.461
314 HB1 ALA 44 HB1 ALA 44 9.016 2.326 -2.764
315 HB2 ALA 44 HB2 ALA 44 9.812 2.164 -4.328
316 HB3 ALA 44 HB3 ALA 44 8.527 1.044 -3.873
317 H LEU 45 HN LEU 45 7.185 4.111 -2.303
318 HA LEU 45 HA LEU 45 4.943 2.586 -1.578
319 HB2 LEU 45 HB2 LEU 45 6.247 3.843 0.037
320 HB3 LEU 45 HB1 LEU 45 5.801 5.348 -0.730
321 HG LEU 45 HG LEU 45 3.500 5.090 0.006
322 HD11 LEU 45 HD11 LEU 45 3.356 2.657 -0.111
323 HD12 LEU 45 HD12 LEU 45 2.856 3.251 1.473
324 HD13 LEU 45 HD13 LEU 45 4.449 2.523 1.266
325 HD21 LEU 45 HD21 LEU 45 5.498 4.618 2.209
326 HD22 LEU 45 HD22 LEU 45 3.873 5.272 2.411
327 HD23 LEU 45 HD23 LEU 45 5.082 6.180 1.497
328 H MET 46 HN MET 46 5.197 5.786 -3.140
329 HA MET 46 HA MET 46 2.457 6.334 -3.475
330 HB2 MET 46 HB2 MET 46 4.813 7.118 -5.197
331 HB3 MET 46 HB1 MET 46 3.193 7.747 -5.410
332 HG2 MET 46 HG2 MET 46 4.852 8.057 -2.942
333 HG3 MET 46 HG1 MET 46 4.733 9.235 -4.247
334 HE1 MET 46 HE1 MET 46 1.654 9.034 -5.043
335 HE2 MET 46 HE2 MET 46 2.496 10.570 -4.831
336 HE3 MET 46 HE3 MET 46 0.953 10.294 -4.022
337 H GLU 47 HN GLU 47 4.807 4.752 -5.518
338 HA GLU 47 HA GLU 47 3.191 4.242 -7.731
339 HB2 GLU 47 HB2 GLU 47 5.630 4.267 -7.624
340 HB3 GLU 47 HB1 GLU 47 5.616 2.797 -6.681
341 HG2 GLU 47 HG2 GLU 47 6.175 2.372 -9.030
342 HG3 GLU 47 HG1 GLU 47 4.713 1.539 -8.502
343 H THR 48 HN THR 48 3.542 2.588 -4.694
344 HA THR 48 HA THR 48 2.125 0.217 -5.481
345 HB THR 48 HB THR 48 2.596 1.379 -2.715
346 HG1 THR 48 HG1 THR 48 4.563 0.827 -3.881
347 HG21 THR 48 HG21 THR 48 2.166 -0.914 -1.934
348 HG22 THR 48 HG22 THR 48 1.813 -1.404 -3.594
349 HG23 THR 48 HG23 THR 48 0.769 -0.242 -2.774
350 H ALA 49 HN ALA 49 1.386 2.969 -3.362
351 HA ALA 49 HA ALA 49 -1.278 2.380 -2.884
352 HB1 ALA 49 HB1 ALA 49 0.036 5.092 -2.852
353 HB2 ALA 49 HB2 ALA 49 0.049 3.928 -1.526
354 HB3 ALA 49 HB3 ALA 49 -1.472 4.653 -2.049
355 H ALA 50 HN ALA 50 0.023 4.812 -5.165
356 HA ALA 50 HA ALA 50 -2.485 5.693 -6.048
357 HB1 ALA 50 HB1 ALA 50 -0.426 7.000 -6.275
358 HB2 ALA 50 HB2 ALA 50 -1.297 6.863 -7.804
359 HB3 ALA 50 HB3 ALA 50 0.138 5.879 -7.514
360 H ARG 51 HN ARG 51 -0.545 3.045 -7.114
361 HA ARG 51 HA ARG 51 -1.827 2.598 -9.595
362 HB2 ARG 51 HB2 ARG 51 0.338 1.610 -8.976
363 HB3 ARG 51 HB1 ARG 51 -0.460 0.636 -7.754
364 HG2 ARG 51 HG2 ARG 51 -1.659 -0.583 -9.439
365 HG3 ARG 51 HG1 ARG 51 -1.006 0.462 -10.704
366 HD2 ARG 51 HD2 ARG 51 0.581 -1.357 -8.902
367 HD3 ARG 51 HD1 ARG 51 0.210 -1.645 -10.605
368 HE ARG 51 HE ARG 51 1.609 0.819 -9.980
369 HH11 ARG 51 HH11 ARG 51 1.876 -2.497 -11.157
370 HH12 ARG 51 HH12 ARG 51 3.417 -2.287 -11.839
371 HH21 ARG 51 HH21 ARG 51 3.612 1.138 -10.881
372 HH22 ARG 51 HH22 ARG 51 4.485 -0.084 -11.687
373 H LEU 52 HN LEU 52 -2.425 1.527 -6.320
374 HA LEU 52 HA LEU 52 -4.670 -0.158 -6.928
375 HB2 LEU 52 HB2 LEU 52 -3.806 1.111 -4.324
376 HB3 LEU 52 HB1 LEU 52 -4.981 -0.179 -4.499
377 HG LEU 52 HG LEU 52 -2.056 -0.425 -5.202
378 HD11 LEU 52 HD11 LEU 52 -1.888 -1.807 -3.198
379 HD12 LEU 52 HD12 LEU 52 -3.564 -1.433 -2.796
380 HD13 LEU 52 HD13 LEU 52 -2.352 -0.154 -2.803
381 HD21 LEU 52 HD21 LEU 52 -4.257 -2.482 -5.031
382 HD22 LEU 52 HD22 LEU 52 -2.550 -2.816 -5.337
383 HD23 LEU 52 HD23 LEU 52 -3.491 -1.895 -6.508
384 H GLU 53 HN GLU 53 -4.142 3.056 -5.672
385 HA GLU 53 HA GLU 53 -6.629 4.027 -5.117
386 HB2 GLU 53 HB2 GLU 53 -4.364 5.480 -6.491
387 HB3 GLU 53 HB1 GLU 53 -5.778 6.169 -5.694
388 HG2 GLU 53 HG2 GLU 53 -3.895 4.432 -4.218
389 HG3 GLU 53 HG1 GLU 53 -3.630 6.169 -4.396
390 H SER 54 HN SER 54 -4.964 4.484 -8.232
391 HA SER 54 HA SER 54 -7.191 5.620 -9.509
392 HB2 SER 54 HB2 SER 54 -4.793 4.289 -10.775
393 HB3 SER 54 HB1 SER 54 -5.860 5.480 -11.521
394 HG SER 54 HG SER 54 -4.976 6.574 -9.266
395 H ARG 55 HN ARG 55 -6.130 2.288 -9.160
396 HA ARG 55 HA ARG 55 -7.726 1.295 -11.323
397 HB2 ARG 55 HB2 ARG 55 -5.737 0.041 -10.603
398 HB3 ARG 55 HB1 ARG 55 -6.471 -0.236 -9.027
399 HG2 ARG 55 HG2 ARG 55 -8.309 -1.460 -10.150
400 HG3 ARG 55 HG1 ARG 55 -7.455 -1.272 -11.674
401 HD2 ARG 55 HD2 ARG 55 -6.382 -2.694 -9.246
402 HD3 ARG 55 HD1 ARG 55 -7.173 -3.482 -10.600
403 HE ARG 55 HE ARG 55 -4.867 -1.903 -11.308
404 HH11 ARG 55 HH11 ARG 55 -6.170 -5.096 -10.598
405 HH12 ARG 55 HH12 ARG 55 -4.769 -5.968 -11.006
406 HH21 ARG 55 HH21 ARG 55 -2.921 -3.059 -11.924
407 HH22 ARG 55 HH22 ARG 55 -2.864 -4.781 -11.771
408 H TYR 56 HN TYR 56 -8.102 1.294 -7.786
409 HA TYR 56 HA TYR 56 -10.698 0.029 -8.131
410 HB2 TYR 56 HB2 TYR 56 -9.159 0.578 -5.585
411 HB3 TYR 56 HB1 TYR 56 -10.664 -0.336 -5.696
412 HD1 TYR 56 HD1 TYR 56 -10.668 -2.537 -6.954
413 HD2 TYR 56 HD2 TYR 56 -7.079 -0.437 -6.073
414 HE1 TYR 56 HE1 TYR 56 -9.357 -4.572 -7.425
415 HE2 TYR 56 HE2 TYR 56 -5.768 -2.449 -6.538
416 HH TYR 56 HH TYR 56 -6.022 -4.858 -6.627
417 H GLY 57 HN GLY 57 -9.569 3.122 -7.977
418 HA2 GLY 57 HA2 GLY 57 -10.788 5.055 -8.140
419 HA3 GLY 57 HA1 GLY 57 -12.247 4.114 -7.888
420 H VAL 58 HN VAL 58 -9.363 4.827 -5.933
421 HA VAL 58 HA VAL 58 -11.154 5.981 -3.934
422 HB VAL 58 HB VAL 58 -9.693 5.138 -2.079
423 HG11 VAL 58 HG11 VAL 58 -11.650 3.803 -2.780
424 HG12 VAL 58 HG12 VAL 58 -10.304 2.800 -2.190
425 HG13 VAL 58 HG13 VAL 58 -10.582 2.966 -3.921
426 HG21 VAL 58 HG21 VAL 58 -7.641 4.928 -3.380
427 HG22 VAL 58 HG22 VAL 58 -8.369 3.536 -4.221
428 HG23 VAL 58 HG23 VAL 58 -8.037 3.453 -2.493
429 H SER 59 HN SER 59 -9.540 7.352 -2.228
430 HA SER 59 HA SER 59 -7.646 8.729 -3.925
431 HB2 SER 59 HB2 SER 59 -9.860 9.772 -4.388
432 HB3 SER 59 HB1 SER 59 -9.964 10.234 -2.694
433 HG SER 59 HG SER 59 -8.979 11.645 -4.566
434 H ILE 60 HN ILE 60 -6.163 7.924 -2.452
435 HA ILE 60 HA ILE 60 -5.887 9.355 0.084
436 HB ILE 60 HB ILE 60 -4.196 7.162 -1.215
437 HG12 ILE 60 HG12 ILE 60 -5.978 7.062 1.229
438 HG13 ILE 60 HG11 ILE 60 -6.395 6.433 -0.360
439 HG21 ILE 60 HG21 ILE 60 -2.729 8.600 0.137
440 HG22 ILE 60 HG22 ILE 60 -2.889 7.029 0.894
441 HG23 ILE 60 HG23 ILE 60 -3.791 8.400 1.526
442 HD11 ILE 60 HD11 ILE 60 -4.159 5.450 1.406
443 HD12 ILE 60 HD12 ILE 60 -4.561 4.829 -0.198
444 HD13 ILE 60 HD13 ILE 60 -5.715 4.660 1.126
445 HA PRO 61 HA PRO 61 -3.727 12.486 -2.399
446 HB2 PRO 61 HB2 PRO 61 -3.298 13.643 0.291
447 HB3 PRO 61 HB1 PRO 61 -4.052 14.367 -1.136
448 HG2 PRO 61 HG2 PRO 61 -5.514 13.615 0.966
449 HG3 PRO 61 HG1 PRO 61 -6.112 13.421 -0.692
450 HD2 PRO 61 HD2 PRO 61 -4.967 11.376 1.163
451 HD3 PRO 61 HD1 PRO 61 -6.341 11.243 0.043
452 H ASP 62 HN ASP 62 -1.557 13.199 -2.607
453 HA ASP 62 HA ASP 62 0.521 11.446 -2.265
454 HB2 ASP 62 HB2 ASP 62 0.793 14.465 -2.212
455 HB3 ASP 62 HB1 ASP 62 2.075 13.326 -2.569
456 H ASP 63 HN ASP 63 -0.169 14.224 -0.186
457 HA ASP 63 HA ASP 63 1.935 13.814 1.647
458 HB2 ASP 63 HB2 ASP 63 0.896 15.979 1.446
459 HB3 ASP 63 HB1 ASP 63 -0.654 15.335 1.963
460 H VAL 64 HN VAL 64 -1.146 12.351 1.452
461 HA VAL 64 HA VAL 64 -1.056 11.304 4.167
462 HB VAL 64 HB VAL 64 -3.039 10.718 1.939
463 HG11 VAL 64 HG11 VAL 64 -3.017 8.977 3.644
464 HG12 VAL 64 HG12 VAL 64 -4.509 9.911 3.729
465 HG13 VAL 64 HG13 VAL 64 -3.225 10.194 4.904
466 HG21 VAL 64 HG21 VAL 64 -3.072 13.074 2.522
467 HG22 VAL 64 HG22 VAL 64 -3.239 12.666 4.229
468 HG23 VAL 64 HG23 VAL 64 -4.536 12.278 3.099
469 H ALA 65 HN ALA 65 -0.623 10.249 0.839
470 HA ALA 65 HA ALA 65 -0.307 7.493 1.333
471 HB1 ALA 65 HB1 ALA 65 0.888 9.157 -0.874
472 HB2 ALA 65 HB2 ALA 65 -0.704 8.383 -0.928
473 HB3 ALA 65 HB3 ALA 65 0.772 7.405 -0.864
474 H GLY 66 HN GLY 66 1.938 10.195 1.264
475 HA2 GLY 66 HA2 GLY 66 4.185 8.485 1.872
476 HA3 GLY 66 HA1 GLY 66 4.209 10.241 1.757
477 H ARG 67 HN ARG 67 1.682 9.132 3.683
478 HA ARG 67 HA ARG 67 3.178 9.804 6.122
479 HB2 ARG 67 HB2 ARG 67 1.188 11.227 5.276
480 HB3 ARG 67 HB1 ARG 67 0.182 9.889 5.793
481 HG2 ARG 67 HG2 ARG 67 0.223 11.599 7.482
482 HG3 ARG 67 HG1 ARG 67 1.055 10.159 8.078
483 HD2 ARG 67 HD2 ARG 67 2.289 12.201 8.633
484 HD3 ARG 67 HD1 ARG 67 3.207 11.154 7.555
485 HE ARG 67 HE ARG 67 1.775 13.015 6.014
486 HH11 ARG 67 HH11 ARG 67 4.540 12.919 8.245
487 HH12 ARG 67 HH12 ARG 67 5.332 14.272 7.563
488 HH21 ARG 67 HH21 ARG 67 2.866 14.927 5.078
489 HH22 ARG 67 HH22 ARG 67 4.340 15.437 5.730
490 H VAL 68 HN VAL 68 2.056 7.211 4.433
491 HA VAL 68 HA VAL 68 1.242 5.746 6.805
492 HB VAL 68 HB VAL 68 0.621 3.862 5.250
493 HG11 VAL 68 HG11 VAL 68 -1.371 4.940 4.341
494 HG12 VAL 68 HG12 VAL 68 -0.649 6.516 4.678
495 HG13 VAL 68 HG13 VAL 68 -1.038 5.423 6.004
496 HG21 VAL 68 HG21 VAL 68 1.193 5.862 3.041
497 HG22 VAL 68 HG22 VAL 68 0.339 4.371 2.830
498 HG23 VAL 68 HG23 VAL 68 2.056 4.333 3.275
499 H ASP 69 HN ASP 69 2.643 4.590 7.905
500 HA ASP 69 HA ASP 69 5.293 4.193 6.729
501 HB2 ASP 69 HB2 ASP 69 4.359 4.294 9.582
502 HB3 ASP 69 HB1 ASP 69 5.940 3.669 9.139
503 H THR 70 HN THR 70 2.640 2.503 8.072
504 HA THR 70 HA THR 70 4.056 -0.012 7.557
505 HB THR 70 HB THR 70 2.357 -1.049 9.074
506 HG1 THR 70 HG1 THR 70 1.662 1.678 9.477
507 HG21 THR 70 HG21 THR 70 3.306 -0.211 11.174
508 HG22 THR 70 HG22 THR 70 3.945 1.192 10.314
509 HG23 THR 70 HG23 THR 70 4.563 -0.422 9.951
510 HA PRO 71 HA PRO 71 1.215 -0.919 4.250
511 HB2 PRO 71 HB2 PRO 71 1.123 -3.654 5.431
512 HB3 PRO 71 HB1 PRO 71 1.532 -3.160 3.782
513 HG2 PRO 71 HG2 PRO 71 3.442 -3.930 5.452
514 HG3 PRO 71 HG1 PRO 71 3.705 -2.541 4.371
515 HD2 PRO 71 HD2 PRO 71 3.038 -2.609 7.281
516 HD3 PRO 71 HD1 PRO 71 4.195 -1.578 6.414
517 H ARG 72 HN ARG 72 0.565 -1.825 7.532
518 HA ARG 72 HA ARG 72 -2.125 -2.541 7.513
519 HB2 ARG 72 HB2 ARG 72 -0.691 -2.697 9.492
520 HB3 ARG 72 HB1 ARG 72 -0.580 -0.949 9.564
521 HG2 ARG 72 HG2 ARG 72 -3.054 -0.888 9.926
522 HG3 ARG 72 HG1 ARG 72 -3.013 -2.647 10.059
523 HD2 ARG 72 HD2 ARG 72 -1.475 -0.712 11.786
524 HD3 ARG 72 HD1 ARG 72 -2.945 -1.561 12.256
525 HE ARG 72 HE ARG 72 -1.591 -3.643 11.846
526 HH11 ARG 72 HH11 ARG 72 -0.047 -0.614 12.878
527 HH12 ARG 72 HH12 ARG 72 1.160 -1.362 13.806
528 HH21 ARG 72 HH21 ARG 72 0.059 -4.687 13.185
529 HH22 ARG 72 HH22 ARG 72 1.172 -3.744 14.041
530 H GLU 73 HN GLU 73 -0.593 0.636 7.751
531 HA GLU 73 HA GLU 73 -2.956 2.139 8.061
532 HB2 GLU 73 HB2 GLU 73 -0.205 2.910 7.115
533 HB3 GLU 73 HB1 GLU 73 -1.470 4.069 7.485
534 HG2 GLU 73 HG2 GLU 73 -1.487 3.455 9.766
535 HG3 GLU 73 HG1 GLU 73 -0.463 2.053 9.457
536 H LEU 74 HN LEU 74 -0.970 1.416 5.212
537 HA LEU 74 HA LEU 74 -2.401 2.977 3.320
538 HB2 LEU 74 HB2 LEU 74 -0.093 1.601 3.158
539 HB3 LEU 74 HB1 LEU 74 -1.183 0.356 2.572
540 HG LEU 74 HG LEU 74 -0.892 3.047 1.243
541 HD11 LEU 74 HD11 LEU 74 1.217 1.875 1.160
542 HD12 LEU 74 HD12 LEU 74 0.453 1.873 -0.429
543 HD13 LEU 74 HD13 LEU 74 0.412 0.419 0.571
544 HD21 LEU 74 HD21 LEU 74 -3.008 1.889 0.753
545 HD22 LEU 74 HD22 LEU 74 -2.106 0.450 0.277
546 HD23 LEU 74 HD23 LEU 74 -1.955 1.936 -0.662
547 H LEU 75 HN LEU 75 -2.707 -0.415 4.310
548 HA LEU 75 HA LEU 75 -4.834 -1.003 2.566
549 HB2 LEU 75 HB2 LEU 75 -3.412 -2.731 3.516
550 HB3 LEU 75 HB1 LEU 75 -4.008 -2.363 5.122
551 HG LEU 75 HG LEU 75 -6.270 -3.105 4.430
552 HD11 LEU 75 HD11 LEU 75 -6.073 -2.602 2.050
553 HD12 LEU 75 HD12 LEU 75 -6.656 -4.208 2.367
554 HD13 LEU 75 HD13 LEU 75 -4.975 -3.975 1.851
555 HD21 LEU 75 HD21 LEU 75 -4.728 -4.665 5.516
556 HD22 LEU 75 HD22 LEU 75 -4.080 -5.120 3.940
557 HD23 LEU 75 HD23 LEU 75 -5.755 -5.495 4.345
558 H ASP 76 HN ASP 76 -4.725 0.115 5.915
559 HA ASP 76 HA ASP 76 -7.477 -0.257 6.448
560 HB2 ASP 76 HB2 ASP 76 -5.939 -0.026 8.296
561 HB3 ASP 76 HB1 ASP 76 -5.452 1.572 7.754
562 H LEU 77 HN LEU 77 -5.628 2.476 5.279
563 HA LEU 77 HA LEU 77 -7.691 4.341 5.122
564 HB2 LEU 77 HB2 LEU 77 -5.269 3.945 3.390
565 HB3 LEU 77 HB1 LEU 77 -6.342 5.309 3.224
566 HG LEU 77 HG LEU 77 -4.573 4.667 5.596
567 HD11 LEU 77 HD11 LEU 77 -4.533 6.922 3.606
568 HD12 LEU 77 HD12 LEU 77 -3.395 5.582 3.679
569 HD13 LEU 77 HD13 LEU 77 -3.466 6.748 4.995
570 HD21 LEU 77 HD21 LEU 77 -6.518 6.947 5.212
571 HD22 LEU 77 HD22 LEU 77 -5.392 6.756 6.556
572 HD23 LEU 77 HD23 LEU 77 -6.714 5.609 6.341
573 H ILE 78 HN ILE 78 -6.541 2.055 2.655
574 HA ILE 78 HA ILE 78 -8.589 2.739 0.829
575 HB ILE 78 HB ILE 78 -6.649 0.429 0.917
576 HG12 ILE 78 HG12 ILE 78 -6.925 2.859 -0.854
577 HG13 ILE 78 HG11 ILE 78 -5.671 2.546 0.334
578 HG21 ILE 78 HG21 ILE 78 -8.658 -0.447 -0.146
579 HG22 ILE 78 HG22 ILE 78 -7.375 -0.234 -1.337
580 HG23 ILE 78 HG23 ILE 78 -8.695 0.932 -1.242
581 HD11 ILE 78 HD11 ILE 78 -6.125 0.886 -2.115
582 HD12 ILE 78 HD12 ILE 78 -4.719 0.822 -1.026
583 HD13 ILE 78 HD13 ILE 78 -5.009 2.249 -2.059
584 H ASN 79 HN ASN 79 -8.389 0.441 3.386
585 HA ASN 79 HA ASN 79 -10.698 -1.059 2.725
586 HB2 ASN 79 HB2 ASN 79 -9.060 -0.750 5.189
587 HB3 ASN 79 HB1 ASN 79 -10.663 -1.445 5.360
588 HD21 ASN 79 HD21 ASN 79 -8.839 -1.926 2.452
589 HD22 ASN 79 HD22 ASN 79 -8.461 -3.595 2.726
590 H GLY 80 HN GLY 80 -10.306 1.998 4.303
591 HA2 GLY 80 HA2 GLY 80 -13.084 2.074 5.105
592 HA3 GLY 80 HA1 GLY 80 -11.930 3.406 5.188
593 H ALA 81 HN ALA 81 -11.033 3.301 2.563
594 HA ALA 81 HA ALA 81 -12.879 5.051 1.365
595 HB1 ALA 81 HB1 ALA 81 -11.267 5.127 -0.467
596 HB2 ALA 81 HB2 ALA 81 -10.435 3.722 0.199
597 HB3 ALA 81 HB3 ALA 81 -10.449 5.237 1.091
598 H LEU 82 HN LEU 82 -11.867 1.755 0.562
599 HA LEU 82 HA LEU 82 -13.600 1.498 -1.658
600 HB2 LEU 82 HB2 LEU 82 -11.983 -0.392 -0.042
601 HB3 LEU 82 HB1 LEU 82 -13.159 -1.031 -1.153
602 HG LEU 82 HG LEU 82 -10.739 0.675 -1.865
603 HD11 LEU 82 HD11 LEU 82 -9.972 -1.337 -2.975
604 HD12 LEU 82 HD12 LEU 82 -11.396 -2.216 -2.404
605 HD13 LEU 82 HD13 LEU 82 -10.205 -1.615 -1.252
606 HD21 LEU 82 HD21 LEU 82 -11.407 0.294 -4.184
607 HD22 LEU 82 HD22 LEU 82 -12.671 1.166 -3.316
608 HD23 LEU 82 HD23 LEU 82 -12.854 -0.557 -3.641
609 H ALA 83 HN ALA 83 -14.039 0.987 1.750
610 HA ALA 83 HA ALA 83 -16.312 -0.695 1.543
611 HB1 ALA 83 HB1 ALA 83 -14.987 -0.596 3.591
612 HB2 ALA 83 HB2 ALA 83 -16.673 -0.187 3.913
613 HB3 ALA 83 HB3 ALA 83 -15.457 1.088 3.824
614 H GLU 84 HN GLU 84 -15.822 2.761 2.102
615 HA GLU 84 HA GLU 84 -18.562 3.479 2.016
616 HB2 GLU 84 HB2 GLU 84 -16.027 5.063 1.627
617 HB3 GLU 84 HB1 GLU 84 -17.627 5.790 1.654
618 HG2 GLU 84 HG2 GLU 84 -16.447 4.185 3.902
619 HG3 GLU 84 HG1 GLU 84 -16.421 5.947 3.800
620 H ALA 85 HN ALA 85 -15.960 3.320 -0.322
621 HA ALA 85 HA ALA 85 -15.840 3.179 -2.535
622 HB1 ALA 85 HB1 ALA 85 -17.572 1.459 -2.323
623 HB2 ALA 85 HB2 ALA 85 -17.746 2.370 -3.823
624 HB3 ALA 85 HB3 ALA 85 -18.821 2.698 -2.461
625 H ALA 86 HN ALA 86 -16.217 5.683 -1.254
626 HA ALA 86 HA ALA 86 -17.675 7.212 -3.276
627 HB1 ALA 86 HB1 ALA 86 -18.305 7.669 -0.950
628 HB2 ALA 86 HB2 ALA 86 -17.544 9.081 -1.678
629 HB3 ALA 86 HB3 ALA 86 -16.630 8.064 -0.566
630 H28 SXM 87 H28A SXM 87 8.034 13.156 -1.566
631 H28A SXM 87 H28B SXM 87 7.014 12.135 -2.586
632 H30 SXM 87 H30A SXM 87 4.138 12.025 -0.299
633 H30A SXM 87 H30B SXM 87 5.484 10.885 -0.285
634 H30B SXM 87 H30C SXM 87 4.806 11.425 -1.820
635 H31 SXM 87 H31C SXM 87 7.151 14.089 0.563
636 H31A SXM 87 H31A SXM 87 6.825 12.447 1.125
637 H31B SXM 87 H31B SXM 87 5.537 13.651 1.120
638 H32 SXM 87 H32A SXM 87 5.017 13.773 -2.549
639 HO33 SXM 87 H33A SXM 87 6.625 15.045 -2.841
640 HN36 SXM 87 H36A SXM 87 4.790 16.469 -1.624
641 H37 SXM 87 H37B SXM 87 3.541 17.469 0.382
642 H37A SXM 87 H37A SXM 87 2.335 16.235 0.004
643 H38 SXM 87 H38A SXM 87 3.191 18.483 -1.803
644 H38A SXM 87 H38B SXM 87 2.060 17.210 -2.218
645 HN41 SXM 87 H41A SXM 87 0.958 19.312 -2.647
646 H42 SXM 87 H42A SXM 87 -1.252 19.611 -0.957
647 H42A SXM 87 H42B SXM 87 -0.135 20.938 -0.662
648 H43 SXM 87 H43A SXM 87 -1.356 20.216 -3.318
649 H43A SXM 87 H43B SXM 87 -0.193 21.522 -3.027
650 H2 SXM 87 H2A SXM 87 -3.944 23.902 -2.600
651 H2A SXM 87 H2B SXM 87 -4.184 23.902 -4.346
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -15.474 -6.475 6.048
2 H2 MET 1 HT2 MET 1 -15.968 -8.067 5.863
3 H3 MET 1 HT3 MET 1 -16.009 -7.356 7.381
4 HA MET 1 HA MET 1 -18.197 -7.594 6.292
5 HB2 MET 1 HB2 MET 1 -17.335 -4.711 6.729
6 HB3 MET 1 HB1 MET 1 -18.994 -5.276 6.678
7 HG2 MET 1 HG2 MET 1 -16.927 -6.037 8.725
8 HG3 MET 1 HG1 MET 1 -18.244 -4.892 8.958
9 HE1 MET 1 HE1 MET 1 -20.815 -5.582 9.090
10 HE2 MET 1 HE2 MET 1 -21.395 -7.222 8.806
11 HE3 MET 1 HE3 MET 1 -20.675 -6.300 7.486
12 H ALA 2 HN ALA 2 -16.608 -4.762 4.823
13 HA ALA 2 HA ALA 2 -18.120 -5.188 2.381
14 HB1 ALA 2 HB1 ALA 2 -16.191 -3.011 3.196
15 HB2 ALA 2 HB2 ALA 2 -17.948 -2.932 3.334
16 HB3 ALA 2 HB3 ALA 2 -17.191 -3.011 1.743
17 H THR 3 HN THR 3 -16.836 -4.890 0.281
18 HA THR 3 HA THR 3 -14.681 -6.775 0.269
19 HB THR 3 HB THR 3 -14.718 -6.231 -2.224
20 HG1 THR 3 HG1 THR 3 -15.693 -4.465 -2.691
21 HG21 THR 3 HG21 THR 3 -15.945 -8.139 -1.305
22 HG22 THR 3 HG22 THR 3 -16.848 -7.389 -2.621
23 HG23 THR 3 HG23 THR 3 -17.318 -7.091 -0.947
24 H LEU 4 HN LEU 4 -12.777 -6.118 0.928
25 HA LEU 4 HA LEU 4 -11.846 -3.415 0.221
26 HB2 LEU 4 HB2 LEU 4 -11.139 -5.027 2.680
27 HB3 LEU 4 HB1 LEU 4 -10.612 -3.394 2.312
28 HG LEU 4 HG LEU 4 -13.426 -4.246 2.877
29 HD11 LEU 4 HD11 LEU 4 -11.493 -2.741 4.605
30 HD12 LEU 4 HD12 LEU 4 -12.081 -4.384 4.867
31 HD13 LEU 4 HD13 LEU 4 -13.192 -3.019 4.982
32 HD21 LEU 4 HD21 LEU 4 -13.375 -2.334 1.389
33 HD22 LEU 4 HD22 LEU 4 -12.280 -1.487 2.485
34 HD23 LEU 4 HD23 LEU 4 -13.932 -1.841 2.989
35 H LEU 5 HN LEU 5 -9.346 -3.464 0.510
36 HA LEU 5 HA LEU 5 -8.339 -5.438 -1.282
37 HB2 LEU 5 HB2 LEU 5 -6.906 -3.290 0.343
38 HB3 LEU 5 HB1 LEU 5 -6.102 -4.398 -0.760
39 HG LEU 5 HG LEU 5 -8.166 -2.336 -1.448
40 HD11 LEU 5 HD11 LEU 5 -6.288 -1.248 -2.554
41 HD12 LEU 5 HD12 LEU 5 -5.206 -2.511 -1.965
42 HD13 LEU 5 HD13 LEU 5 -5.998 -1.420 -0.823
43 HD21 LEU 5 HD21 LEU 5 -7.637 -2.918 -3.743
44 HD22 LEU 5 HD22 LEU 5 -8.317 -4.290 -2.870
45 HD23 LEU 5 HD23 LEU 5 -6.581 -4.210 -3.179
46 H THR 6 HN THR 6 -7.375 -7.346 -0.801
47 HA THR 6 HA THR 6 -7.309 -8.083 1.968
48 HB THR 6 HB THR 6 -6.523 -10.297 1.099
49 HG1 THR 6 HG1 THR 6 -7.094 -9.405 -1.505
50 HG21 THR 6 HG21 THR 6 -8.977 -9.190 -0.284
51 HG22 THR 6 HG22 THR 6 -8.932 -9.852 1.351
52 HG23 THR 6 HG23 THR 6 -8.624 -10.900 -0.034
53 H THR 7 HN THR 7 -5.141 -9.488 2.488
54 HA THR 7 HA THR 7 -3.087 -7.544 2.518
55 HB THR 7 HB THR 7 -2.801 -10.478 3.183
56 HG1 THR 7 HG1 THR 7 -4.063 -10.224 4.765
57 HG21 THR 7 HG21 THR 7 -1.228 -9.598 4.856
58 HG22 THR 7 HG22 THR 7 -1.581 -7.955 4.308
59 HG23 THR 7 HG23 THR 7 -0.780 -9.088 3.227
60 H ASP 8 HN ASP 8 -3.737 -10.562 0.834
61 HA ASP 8 HA ASP 8 -1.295 -10.753 -0.550
62 HB2 ASP 8 HB2 ASP 8 -3.967 -12.012 -0.987
63 HB3 ASP 8 HB1 ASP 8 -2.701 -12.187 -2.200
64 H ASP 9 HN ASP 9 -4.334 -9.208 -1.467
65 HA ASP 9 HA ASP 9 -3.356 -8.608 -4.072
66 HB2 ASP 9 HB2 ASP 9 -5.806 -8.674 -3.436
67 HB3 ASP 9 HB1 ASP 9 -5.563 -7.116 -2.646
68 H LEU 10 HN LEU 10 -3.496 -6.839 -1.036
69 HA LEU 10 HA LEU 10 -2.347 -4.410 -1.811
70 HB2 LEU 10 HB2 LEU 10 -3.247 -4.787 0.420
71 HB3 LEU 10 HB1 LEU 10 -2.056 -6.025 0.733
72 HG LEU 10 HG LEU 10 -0.291 -4.248 0.644
73 HD11 LEU 10 HD11 LEU 10 -0.968 -1.930 0.878
74 HD12 LEU 10 HD12 LEU 10 -2.651 -2.398 0.628
75 HD13 LEU 10 HD13 LEU 10 -1.470 -2.604 -0.673
76 HD21 LEU 10 HD21 LEU 10 -1.157 -5.073 2.758
77 HD22 LEU 10 HD22 LEU 10 -2.469 -3.896 2.695
78 HD23 LEU 10 HD23 LEU 10 -0.798 -3.350 2.859
79 H ARG 11 HN ARG 11 -0.892 -7.401 -0.704
80 HA ARG 11 HA ARG 11 1.771 -6.747 -0.792
81 HB2 ARG 11 HB2 ARG 11 1.004 -8.718 0.335
82 HB3 ARG 11 HB1 ARG 11 0.434 -9.417 -1.172
83 HG2 ARG 11 HG2 ARG 11 2.601 -9.821 -1.928
84 HG3 ARG 11 HG1 ARG 11 3.306 -8.728 -0.738
85 HD2 ARG 11 HD2 ARG 11 3.717 -11.032 -0.130
86 HD3 ARG 11 HD1 ARG 11 2.678 -10.249 1.044
87 HE ARG 11 HE ARG 11 0.936 -11.529 -0.608
88 HH11 ARG 11 HH11 ARG 11 3.743 -12.432 1.291
89 HH12 ARG 11 HH12 ARG 11 3.270 -14.046 1.580
90 HH21 ARG 11 HH21 ARG 11 0.181 -13.791 -0.210
91 HH22 ARG 11 HH22 ARG 11 1.206 -14.844 0.645
92 H ARG 12 HN ARG 12 -0.137 -8.312 -3.453
93 HA ARG 12 HA ARG 12 2.045 -8.690 -5.092
94 HB2 ARG 12 HB2 ARG 12 -0.173 -9.763 -5.219
95 HB3 ARG 12 HB1 ARG 12 -0.825 -8.262 -5.849
96 HG2 ARG 12 HG2 ARG 12 -0.416 -9.877 -7.541
97 HG3 ARG 12 HG1 ARG 12 0.572 -8.412 -7.757
98 HD2 ARG 12 HD2 ARG 12 1.826 -10.543 -8.206
99 HD3 ARG 12 HD1 ARG 12 2.554 -9.573 -6.937
100 HE ARG 12 HE ARG 12 0.982 -11.247 -5.529
101 HH11 ARG 12 HH11 ARG 12 3.313 -11.955 -8.141
102 HH12 ARG 12 HH12 ARG 12 3.698 -13.487 -7.485
103 HH21 ARG 12 HH21 ARG 12 1.571 -13.347 -4.702
104 HH22 ARG 12 HH22 ARG 12 2.748 -14.251 -5.566
105 H ALA 13 HN ALA 13 -0.035 -5.881 -4.675
106 HA ALA 13 HA ALA 13 1.006 -4.500 -6.961
107 HB1 ALA 13 HB1 ALA 13 -0.196 -2.557 -6.067
108 HB2 ALA 13 HB2 ALA 13 -0.509 -3.441 -4.571
109 HB3 ALA 13 HB3 ALA 13 -1.221 -3.991 -6.088
110 H LEU 14 HN LEU 14 1.695 -4.687 -3.570
111 HA LEU 14 HA LEU 14 3.480 -2.516 -3.371
112 HB2 LEU 14 HB2 LEU 14 2.264 -3.619 -1.504
113 HB3 LEU 14 HB1 LEU 14 3.290 -5.021 -1.701
114 HG LEU 14 HG LEU 14 5.241 -3.636 -1.076
115 HD11 LEU 14 HD11 LEU 14 3.152 -1.537 -0.519
116 HD12 LEU 14 HD12 LEU 14 4.377 -1.468 -1.786
117 HD13 LEU 14 HD13 LEU 14 4.859 -1.437 -0.088
118 HD21 LEU 14 HD21 LEU 14 4.666 -3.471 1.296
119 HD22 LEU 14 HD22 LEU 14 4.071 -4.973 0.587
120 HD23 LEU 14 HD23 LEU 14 2.957 -3.640 0.892
121 H VAL 15 HN VAL 15 3.956 -6.005 -3.728
122 HA VAL 15 HA VAL 15 6.709 -6.240 -3.694
123 HB VAL 15 HB VAL 15 4.765 -7.807 -5.434
124 HG11 VAL 15 HG11 VAL 15 7.579 -8.506 -4.598
125 HG12 VAL 15 HG12 VAL 15 7.057 -8.079 -6.227
126 HG13 VAL 15 HG13 VAL 15 6.473 -9.564 -5.474
127 HG21 VAL 15 HG21 VAL 15 4.870 -9.488 -3.664
128 HG22 VAL 15 HG22 VAL 15 4.249 -7.953 -3.058
129 HG23 VAL 15 HG23 VAL 15 5.916 -8.427 -2.721
130 H GLU 16 HN GLU 16 4.681 -5.706 -6.563
131 HA GLU 16 HA GLU 16 6.836 -5.665 -8.345
132 HB2 GLU 16 HB2 GLU 16 4.076 -4.501 -8.699
133 HB3 GLU 16 HB1 GLU 16 5.263 -4.672 -9.981
134 HG2 GLU 16 HG2 GLU 16 5.264 -7.135 -9.537
135 HG3 GLU 16 HG1 GLU 16 3.912 -6.868 -8.438
136 H SER 17 HN SER 17 5.105 -2.908 -6.834
137 HA SER 17 HA SER 17 6.723 -1.015 -8.203
138 HB2 SER 17 HB2 SER 17 4.954 -0.638 -5.792
139 HB3 SER 17 HB1 SER 17 5.565 0.628 -6.859
140 HG SER 17 HG SER 17 4.269 -0.039 -8.453
141 H ALA 18 HN ALA 18 7.176 -2.843 -5.328
142 HA ALA 18 HA ALA 18 8.768 -1.149 -3.765
143 HB1 ALA 18 HB1 ALA 18 7.759 -3.218 -2.963
144 HB2 ALA 18 HB2 ALA 18 9.489 -3.144 -2.626
145 HB3 ALA 18 HB3 ALA 18 8.890 -4.145 -3.950
146 H GLY 19 HN GLY 19 9.543 -2.674 -6.719
147 HA2 GLY 19 HA2 GLY 19 12.127 -1.612 -6.770
148 HA3 GLY 19 HA1 GLY 19 12.187 -3.348 -6.456
149 H GLU 20 HN GLU 20 12.832 -4.148 -8.319
150 HA GLU 20 HA GLU 20 11.629 -3.179 -10.767
151 HB2 GLU 20 HB2 GLU 20 14.000 -3.440 -10.737
152 HB3 GLU 20 HB1 GLU 20 13.872 -5.133 -10.293
153 HG2 GLU 20 HG2 GLU 20 12.844 -5.648 -12.435
154 HG3 GLU 20 HG1 GLU 20 12.892 -3.945 -12.883
155 H THR 21 HN THR 21 9.600 -3.873 -10.474
156 HA THR 21 HA THR 21 7.795 -5.085 -10.595
157 HB THR 21 HB THR 21 7.675 -6.794 -12.449
158 HG1 THR 21 HG1 THR 21 9.883 -7.510 -12.387
159 HG21 THR 21 HG21 THR 21 8.071 -5.086 -14.165
160 HG22 THR 21 HG22 THR 21 8.979 -4.155 -12.952
161 HG23 THR 21 HG23 THR 21 7.261 -4.442 -12.724
162 H ASP 22 HN ASP 22 9.825 -6.071 -8.761
163 HA ASP 22 HA ASP 22 8.424 -7.732 -7.161
164 HB2 ASP 22 HB2 ASP 22 8.582 -9.543 -8.831
165 HB3 ASP 22 HB1 ASP 22 10.332 -9.341 -8.945
166 H GLY 23 HN GLY 23 9.368 -6.045 -6.125
167 HA2 GLY 23 HA2 GLY 23 12.275 -6.085 -5.776
168 HA3 GLY 23 HA1 GLY 23 11.179 -4.871 -5.136
169 H THR 24 HN THR 24 9.540 -5.975 -3.526
170 HA THR 24 HA THR 24 11.075 -7.636 -1.664
171 HB THR 24 HB THR 24 9.261 -5.289 -0.970
172 HG1 THR 24 HG1 THR 24 12.028 -5.157 -0.543
173 HG21 THR 24 HG21 THR 24 10.298 -5.492 1.252
174 HG22 THR 24 HG22 THR 24 11.270 -6.846 0.678
175 HG23 THR 24 HG23 THR 24 9.516 -7.004 0.789
176 H ASP 25 HN ASP 25 9.897 -9.468 -1.347
177 HA ASP 25 HA ASP 25 7.230 -9.597 -2.437
178 HB2 ASP 25 HB2 ASP 25 7.293 -11.936 -2.240
179 HB3 ASP 25 HB1 ASP 25 8.912 -11.455 -2.717
180 H LEU 26 HN LEU 26 8.523 -9.374 0.770
181 HA LEU 26 HA LEU 26 7.584 -9.287 2.792
182 HB2 LEU 26 HB2 LEU 26 5.132 -8.437 1.240
183 HB3 LEU 26 HB1 LEU 26 5.162 -8.505 2.982
184 HG LEU 26 HG LEU 26 5.398 -6.275 2.422
185 HD11 LEU 26 HD11 LEU 26 6.868 -6.881 4.172
186 HD12 LEU 26 HD12 LEU 26 7.606 -5.611 3.191
187 HD13 LEU 26 HD13 LEU 26 8.145 -7.285 3.022
188 HD21 LEU 26 HD21 LEU 26 7.051 -5.366 0.854
189 HD22 LEU 26 HD22 LEU 26 5.911 -6.461 0.071
190 HD23 LEU 26 HD23 LEU 26 7.547 -7.010 0.448
191 H SER 27 HN SER 27 7.919 -11.465 3.063
192 HA SER 27 HA SER 27 5.846 -13.370 2.538
193 HB2 SER 27 HB2 SER 27 8.159 -13.796 4.384
194 HB3 SER 27 HB1 SER 27 7.391 -14.938 3.274
195 HG SER 27 HG SER 27 8.209 -13.258 1.616
196 H GLY 28 HN GLY 28 4.237 -13.942 3.891
197 HA2 GLY 28 HA2 GLY 28 3.282 -14.522 5.936
198 HA3 GLY 28 HA1 GLY 28 4.544 -13.620 6.756
199 H ASP 29 HN ASP 29 3.040 -12.654 8.078
200 HA ASP 29 HA ASP 29 1.091 -10.839 6.867
201 HB2 ASP 29 HB2 ASP 29 0.492 -12.337 8.837
202 HB3 ASP 29 HB1 ASP 29 1.610 -11.388 9.807
203 H PHE 30 HN PHE 30 2.122 -9.098 6.176
204 HA PHE 30 HA PHE 30 4.516 -8.192 7.578
205 HB2 PHE 30 HB2 PHE 30 5.059 -7.081 5.443
206 HB3 PHE 30 HB1 PHE 30 4.840 -8.822 5.295
207 HD1 PHE 30 HD2 PHE 30 2.889 -9.734 4.119
208 HD2 PHE 30 HD1 PHE 30 3.521 -5.535 4.400
209 HE1 PHE 30 HE2 PHE 30 1.233 -9.360 2.349
210 HE2 PHE 30 HE1 PHE 30 1.870 -5.161 2.627
211 HZ PHE 30 HZ PHE 30 0.719 -7.072 1.604
212 H LEU 31 HN LEU 31 1.628 -7.337 8.184
213 HA LEU 31 HA LEU 31 1.387 -4.686 7.176
214 HB2 LEU 31 HB2 LEU 31 -0.169 -6.087 9.338
215 HB3 LEU 31 HB1 LEU 31 -0.508 -4.452 8.821
216 HG LEU 31 HG LEU 31 -2.090 -5.881 7.808
217 HD11 LEU 31 HD11 LEU 31 -0.056 -5.095 5.754
218 HD12 LEU 31 HD12 LEU 31 -1.354 -4.095 6.407
219 HD13 LEU 31 HD13 LEU 31 -1.738 -5.510 5.429
220 HD21 LEU 31 HD21 LEU 31 -1.505 -7.749 6.326
221 HD22 LEU 31 HD22 LEU 31 -0.950 -8.012 7.978
222 HD23 LEU 31 HD23 LEU 31 0.197 -7.524 6.732
223 H ASP 32 HN ASP 32 2.895 -5.969 9.983
224 HA ASP 32 HA ASP 32 3.087 -3.351 11.226
225 HB2 ASP 32 HB2 ASP 32 4.279 -4.432 13.067
226 HB3 ASP 32 HB1 ASP 32 2.805 -5.312 12.696
227 H LEU 33 HN LEU 33 4.805 -4.946 8.845
228 HA LEU 33 HA LEU 33 7.420 -4.009 9.554
229 HB2 LEU 33 HB2 LEU 33 6.295 -5.261 7.063
230 HB3 LEU 33 HB1 LEU 33 7.887 -4.537 7.040
231 HG LEU 33 HG LEU 33 8.062 -6.929 7.286
232 HD11 LEU 33 HD11 LEU 33 8.787 -5.513 9.831
233 HD12 LEU 33 HD12 LEU 33 9.757 -5.608 8.362
234 HD13 LEU 33 HD13 LEU 33 9.431 -7.066 9.300
235 HD21 LEU 33 HD21 LEU 33 5.907 -7.397 8.342
236 HD22 LEU 33 HD22 LEU 33 6.468 -6.642 9.835
237 HD23 LEU 33 HD23 LEU 33 7.231 -8.123 9.254
238 H ARG 34 HN ARG 34 7.983 -2.035 9.526
239 HA ARG 34 HA ARG 34 6.315 -0.006 8.357
240 HB2 ARG 34 HB2 ARG 34 9.008 0.251 9.687
241 HB3 ARG 34 HB1 ARG 34 7.885 1.557 9.348
242 HG2 ARG 34 HG2 ARG 34 6.281 0.572 10.917
243 HG3 ARG 34 HG1 ARG 34 7.434 -0.726 11.262
244 HD2 ARG 34 HD2 ARG 34 7.548 1.023 12.964
245 HD3 ARG 34 HD1 ARG 34 9.053 0.932 12.047
246 HE ARG 34 HE ARG 34 7.040 2.830 11.162
247 HH11 ARG 34 HH11 ARG 34 10.133 2.367 12.914
248 HH12 ARG 34 HH12 ARG 34 10.564 3.991 12.793
249 HH21 ARG 34 HH21 ARG 34 7.689 5.011 10.995
250 HH22 ARG 34 HH22 ARG 34 9.147 5.559 11.737
251 H PHE 35 HN PHE 35 6.620 1.011 6.464
252 HA PHE 35 HA PHE 35 8.488 0.080 4.549
253 HB2 PHE 35 HB2 PHE 35 6.880 2.643 4.571
254 HB3 PHE 35 HB1 PHE 35 7.785 2.042 3.189
255 HD1 PHE 35 HD2 PHE 35 7.187 -0.601 2.766
256 HD2 PHE 35 HD1 PHE 35 4.635 2.352 4.429
257 HE1 PHE 35 HE2 PHE 35 5.231 -1.887 2.033
258 HE2 PHE 35 HE1 PHE 35 2.674 1.072 3.703
259 HZ PHE 35 HZ PHE 35 2.968 -1.049 2.497
260 H GLU 36 HN GLU 36 8.470 2.663 6.788
261 HA GLU 36 HA GLU 36 10.665 4.227 6.040
262 HB2 GLU 36 HB2 GLU 36 8.951 4.701 7.822
263 HB3 GLU 36 HB1 GLU 36 9.703 3.481 8.821
264 HG2 GLU 36 HG2 GLU 36 11.046 6.027 7.918
265 HG3 GLU 36 HG1 GLU 36 10.213 5.826 9.452
266 H ASP 37 HN ASP 37 10.403 1.251 7.844
267 HA ASP 37 HA ASP 37 13.214 1.203 8.498
268 HB2 ASP 37 HB2 ASP 37 11.656 0.606 10.229
269 HB3 ASP 37 HB1 ASP 37 10.943 -0.638 9.212
270 H ILE 38 HN ILE 38 10.963 -0.583 6.435
271 HA ILE 38 HA ILE 38 13.062 -2.422 5.711
272 HB ILE 38 HB ILE 38 11.412 -3.567 4.255
273 HG12 ILE 38 HG12 ILE 38 9.476 -1.502 5.352
274 HG13 ILE 38 HG11 ILE 38 9.995 -1.628 3.678
275 HG21 ILE 38 HG21 ILE 38 10.561 -3.076 7.098
276 HG22 ILE 38 HG22 ILE 38 11.741 -4.261 6.541
277 HG23 ILE 38 HG23 ILE 38 10.038 -4.434 6.099
278 HD11 ILE 38 HD11 ILE 38 8.896 -3.822 3.520
279 HD12 ILE 38 HD12 ILE 38 7.766 -2.549 3.981
280 HD13 ILE 38 HD13 ILE 38 8.376 -3.671 5.197
281 H GLY 39 HN GLY 39 13.524 0.239 5.015
282 HA2 GLY 39 HA2 GLY 39 14.584 1.416 3.379
283 HA3 GLY 39 HA1 GLY 39 14.894 -0.139 2.642
284 H TYR 40 HN TYR 40 11.758 1.462 3.065
285 HA TYR 40 HA TYR 40 11.385 1.260 0.183
286 HB2 TYR 40 HB2 TYR 40 9.590 1.519 2.502
287 HB3 TYR 40 HB1 TYR 40 9.094 2.371 1.051
288 HD1 TYR 40 HD1 TYR 40 10.444 -0.997 1.953
289 HD2 TYR 40 HD2 TYR 40 7.648 1.277 -0.295
290 HE1 TYR 40 HE1 TYR 40 9.450 -3.075 1.100
291 HE2 TYR 40 HE2 TYR 40 6.638 -0.765 -1.161
292 HH TYR 40 HH TYR 40 7.298 -3.832 0.184
293 H ASP 41 HN ASP 41 11.401 2.874 -1.123
294 HA ASP 41 HA ASP 41 11.697 5.593 -0.075
295 HB2 ASP 41 HB2 ASP 41 11.945 4.434 -2.854
296 HB3 ASP 41 HB1 ASP 41 11.788 6.162 -2.591
297 H SER 42 HN SER 42 10.215 7.214 -0.603
298 HA SER 42 HA SER 42 7.573 6.364 -0.719
299 HB2 SER 42 HB2 SER 42 7.253 8.937 -1.389
300 HB3 SER 42 HB1 SER 42 7.669 8.438 0.252
301 H LEU 43 HN LEU 43 9.814 7.117 -3.232
302 HA LEU 43 HA LEU 43 8.111 7.438 -5.405
303 HB2 LEU 43 HB2 LEU 43 10.503 7.870 -5.508
304 HB3 LEU 43 HB1 LEU 43 10.836 6.166 -5.273
305 HG LEU 43 HG LEU 43 9.858 5.664 -7.469
306 HD11 LEU 43 HD11 LEU 43 8.230 7.456 -7.613
307 HD12 LEU 43 HD12 LEU 43 9.291 7.463 -9.019
308 HD13 LEU 43 HD13 LEU 43 9.524 8.648 -7.733
309 HD21 LEU 43 HD21 LEU 43 12.248 6.105 -7.298
310 HD22 LEU 43 HD22 LEU 43 11.959 7.827 -7.541
311 HD23 LEU 43 HD23 LEU 43 11.612 6.685 -8.837
312 H ALA 44 HN ALA 44 9.071 4.539 -3.732
313 HA ALA 44 HA ALA 44 7.889 2.799 -5.724
314 HB1 ALA 44 HB1 ALA 44 9.867 2.058 -4.480
315 HB2 ALA 44 HB2 ALA 44 8.493 0.997 -4.174
316 HB3 ALA 44 HB3 ALA 44 8.968 2.193 -2.968
317 H LEU 45 HN LEU 45 7.290 3.920 -2.470
318 HA LEU 45 HA LEU 45 5.010 2.425 -1.895
319 HB2 LEU 45 HB2 LEU 45 6.361 3.528 -0.218
320 HB3 LEU 45 HB1 LEU 45 5.895 5.098 -0.831
321 HG LEU 45 HG LEU 45 3.593 4.711 -0.105
322 HD11 LEU 45 HD11 LEU 45 4.665 2.114 0.991
323 HD12 LEU 45 HD12 LEU 45 3.536 2.284 -0.351
324 HD13 LEU 45 HD13 LEU 45 3.052 2.769 1.274
325 HD21 LEU 45 HD21 LEU 45 4.012 4.797 2.301
326 HD22 LEU 45 HD22 LEU 45 5.166 5.789 1.411
327 HD23 LEU 45 HD23 LEU 45 5.655 4.213 2.038
328 H MET 46 HN MET 46 5.317 5.703 -3.237
329 HA MET 46 HA MET 46 2.571 6.407 -3.363
330 HB2 MET 46 HB2 MET 46 4.877 7.295 -5.109
331 HB3 MET 46 HB1 MET 46 3.299 8.052 -5.081
332 HG2 MET 46 HG2 MET 46 5.083 7.853 -2.690
333 HG3 MET 46 HG1 MET 46 5.143 9.193 -3.817
334 HE1 MET 46 HE1 MET 46 3.455 10.778 -0.671
335 HE2 MET 46 HE2 MET 46 4.736 10.934 -1.868
336 HE3 MET 46 HE3 MET 46 4.762 9.596 -0.720
337 H GLU 47 HN GLU 47 4.665 4.589 -5.422
338 HA GLU 47 HA GLU 47 3.051 4.628 -7.766
339 HB2 GLU 47 HB2 GLU 47 5.603 4.234 -7.281
340 HB3 GLU 47 HB1 GLU 47 5.129 2.553 -7.124
341 HG2 GLU 47 HG2 GLU 47 4.742 4.269 -9.582
342 HG3 GLU 47 HG1 GLU 47 6.039 3.114 -9.337
343 H THR 48 HN THR 48 3.709 2.286 -5.146
344 HA THR 48 HA THR 48 1.938 0.247 -5.793
345 HB THR 48 HB THR 48 2.698 1.349 -3.072
346 HG1 THR 48 HG1 THR 48 3.889 -0.466 -4.861
347 HG21 THR 48 HG21 THR 48 2.236 -0.903 -2.240
348 HG22 THR 48 HG22 THR 48 1.654 -1.386 -3.834
349 HG23 THR 48 HG23 THR 48 0.776 -0.164 -2.905
350 H ALA 49 HN ALA 49 1.441 3.096 -3.713
351 HA ALA 49 HA ALA 49 -1.217 2.686 -3.036
352 HB1 ALA 49 HB1 ALA 49 0.217 5.324 -3.338
353 HB2 ALA 49 HB2 ALA 49 0.249 4.295 -1.908
354 HB3 ALA 49 HB3 ALA 49 -1.264 5.045 -2.422
355 H ALA 50 HN ALA 50 0.107 4.699 -5.687
356 HA ALA 50 HA ALA 50 -2.374 5.569 -6.620
357 HB1 ALA 50 HB1 ALA 50 -1.219 6.305 -8.615
358 HB2 ALA 50 HB2 ALA 50 0.166 5.291 -8.204
359 HB3 ALA 50 HB3 ALA 50 -0.254 6.663 -7.182
360 H ARG 51 HN ARG 51 -0.524 2.685 -7.418
361 HA ARG 51 HA ARG 51 -2.070 1.747 -9.555
362 HB2 ARG 51 HB2 ARG 51 -0.579 0.297 -7.387
363 HB3 ARG 51 HB1 ARG 51 -1.577 -0.593 -8.514
364 HG2 ARG 51 HG2 ARG 51 -0.207 0.345 -10.365
365 HG3 ARG 51 HG1 ARG 51 0.848 1.062 -9.138
366 HD2 ARG 51 HD2 ARG 51 1.508 -1.029 -8.306
367 HD3 ARG 51 HD1 ARG 51 0.177 -1.866 -9.104
368 HE ARG 51 HE ARG 51 2.084 -0.560 -10.825
369 HH11 ARG 51 HH11 ARG 51 1.164 -3.596 -9.237
370 HH12 ARG 51 HH12 ARG 51 1.967 -4.613 -10.321
371 HH21 ARG 51 HH21 ARG 51 3.164 -1.956 -12.396
372 HH22 ARG 51 HH22 ARG 51 3.153 -3.640 -12.205
373 H LEU 52 HN LEU 52 -2.444 1.193 -6.103
374 HA LEU 52 HA LEU 52 -4.786 -0.348 -6.307
375 HB2 LEU 52 HB2 LEU 52 -3.678 1.206 -3.987
376 HB3 LEU 52 HB1 LEU 52 -5.004 0.061 -3.876
377 HG LEU 52 HG LEU 52 -2.199 -0.628 -4.744
378 HD11 LEU 52 HD11 LEU 52 -2.022 -1.744 -2.579
379 HD12 LEU 52 HD12 LEU 52 -3.612 -1.122 -2.132
380 HD13 LEU 52 HD13 LEU 52 -2.272 -0.006 -2.401
381 HD21 LEU 52 HD21 LEU 52 -3.898 -2.086 -5.737
382 HD22 LEU 52 HD22 LEU 52 -4.591 -2.383 -4.148
383 HD23 LEU 52 HD23 LEU 52 -2.961 -2.952 -4.519
384 H GLU 53 HN GLU 53 -4.291 3.111 -5.800
385 HA GLU 53 HA GLU 53 -6.957 3.773 -5.271
386 HB2 GLU 53 HB2 GLU 53 -5.150 5.581 -6.853
387 HB3 GLU 53 HB1 GLU 53 -6.541 5.898 -5.834
388 HG2 GLU 53 HG2 GLU 53 -5.404 5.547 -3.868
389 HG3 GLU 53 HG1 GLU 53 -3.989 4.890 -4.702
390 H SER 54 HN SER 54 -5.192 3.827 -8.336
391 HA SER 54 HA SER 54 -7.377 4.674 -9.929
392 HB2 SER 54 HB2 SER 54 -4.910 3.179 -10.824
393 HB3 SER 54 HB1 SER 54 -5.901 4.285 -11.780
394 HG SER 54 HG SER 54 -4.001 4.784 -9.827
395 H ARG 55 HN ARG 55 -6.347 1.604 -8.805
396 HA ARG 55 HA ARG 55 -7.744 0.093 -10.808
397 HB2 ARG 55 HB2 ARG 55 -5.642 -0.692 -9.994
398 HB3 ARG 55 HB1 ARG 55 -6.222 -0.685 -8.344
399 HG2 ARG 55 HG2 ARG 55 -7.713 -2.517 -8.850
400 HG3 ARG 55 HG1 ARG 55 -7.180 -2.498 -10.539
401 HD2 ARG 55 HD2 ARG 55 -4.962 -3.068 -9.932
402 HD3 ARG 55 HD1 ARG 55 -5.296 -2.816 -8.222
403 HE ARG 55 HE ARG 55 -6.846 -4.855 -9.552
404 HH11 ARG 55 HH11 ARG 55 -3.818 -4.196 -7.816
405 HH12 ARG 55 HH12 ARG 55 -3.812 -5.690 -7.009
406 HH21 ARG 55 HH21 ARG 55 -6.787 -6.928 -8.401
407 HH22 ARG 55 HH22 ARG 55 -5.528 -7.176 -7.250
408 H TYR 56 HN TYR 56 -8.320 1.019 -7.447
409 HA TYR 56 HA TYR 56 -10.843 -0.445 -7.653
410 HB2 TYR 56 HB2 TYR 56 -9.171 0.166 -5.243
411 HB3 TYR 56 HB1 TYR 56 -10.866 -0.293 -5.094
412 HD1 TYR 56 HD2 TYR 56 -7.559 -1.400 -6.255
413 HD2 TYR 56 HD1 TYR 56 -11.556 -2.570 -5.415
414 HE1 TYR 56 HE2 TYR 56 -6.892 -3.753 -6.412
415 HE2 TYR 56 HE1 TYR 56 -10.909 -4.931 -5.567
416 HH TYR 56 HH TYR 56 -9.158 -6.266 -6.629
417 H GLY 57 HN GLY 57 -9.703 2.668 -7.710
418 HA2 GLY 57 HA2 GLY 57 -11.021 4.506 -8.145
419 HA3 GLY 57 HA1 GLY 57 -12.430 3.599 -7.622
420 H VAL 58 HN VAL 58 -9.381 4.539 -6.053
421 HA VAL 58 HA VAL 58 -10.985 5.991 -4.090
422 HB VAL 58 HB VAL 58 -9.624 5.278 -2.185
423 HG11 VAL 58 HG11 VAL 58 -10.600 2.941 -3.750
424 HG12 VAL 58 HG12 VAL 58 -11.573 3.947 -2.663
425 HG13 VAL 58 HG13 VAL 58 -10.262 2.933 -2.020
426 HG21 VAL 58 HG21 VAL 58 -7.511 4.873 -3.399
427 HG22 VAL 58 HG22 VAL 58 -8.218 3.365 -4.028
428 HG23 VAL 58 HG23 VAL 58 -7.948 3.563 -2.302
429 H SER 59 HN SER 59 -9.406 7.369 -2.635
430 HA SER 59 HA SER 59 -7.211 8.326 -4.285
431 HB2 SER 59 HB2 SER 59 -9.315 10.075 -3.011
432 HB3 SER 59 HB1 SER 59 -7.862 10.649 -3.837
433 HG SER 59 HG SER 59 -8.778 9.130 -5.563
434 H ILE 60 HN ILE 60 -5.480 8.144 -3.194
435 HA ILE 60 HA ILE 60 -5.434 8.730 -0.309
436 HB ILE 60 HB ILE 60 -3.431 7.080 -1.922
437 HG12 ILE 60 HG12 ILE 60 -5.539 5.843 -1.777
438 HG13 ILE 60 HG11 ILE 60 -4.313 5.076 -0.780
439 HG21 ILE 60 HG21 ILE 60 -2.499 6.404 0.269
440 HG22 ILE 60 HG22 ILE 60 -3.650 7.464 1.069
441 HG23 ILE 60 HG23 ILE 60 -2.412 8.145 0.018
442 HD11 ILE 60 HD11 ILE 60 -6.551 6.839 0.198
443 HD12 ILE 60 HD12 ILE 60 -5.325 6.075 1.212
444 HD13 ILE 60 HD13 ILE 60 -6.475 5.080 0.314
445 HA PRO 61 HA PRO 61 -3.545 12.393 -2.353
446 HB2 PRO 61 HB2 PRO 61 -3.488 13.199 0.517
447 HB3 PRO 61 HB1 PRO 61 -4.083 14.098 -0.885
448 HG2 PRO 61 HG2 PRO 61 -5.795 13.022 0.821
449 HG3 PRO 61 HG1 PRO 61 -6.107 12.954 -0.923
450 HD2 PRO 61 HD2 PRO 61 -5.087 10.815 0.906
451 HD3 PRO 61 HD1 PRO 61 -6.258 10.697 -0.424
452 H ASP 62 HN ASP 62 -1.413 13.164 -2.389
453 HA ASP 62 HA ASP 62 0.592 11.297 -1.865
454 HB2 ASP 62 HB2 ASP 62 2.192 12.869 -2.634
455 HB3 ASP 62 HB1 ASP 62 0.717 13.271 -3.498
456 H ASP 63 HN ASP 63 -0.409 14.037 0.096
457 HA ASP 63 HA ASP 63 1.756 13.885 1.924
458 HB2 ASP 63 HB2 ASP 63 0.374 15.914 1.627
459 HB3 ASP 63 HB1 ASP 63 -1.006 15.066 2.308
460 H VAL 64 HN VAL 64 -1.318 12.356 1.682
461 HA VAL 64 HA VAL 64 -1.160 11.168 4.321
462 HB VAL 64 HB VAL 64 -3.233 10.709 2.144
463 HG11 VAL 64 HG11 VAL 64 -3.215 8.938 3.812
464 HG12 VAL 64 HG12 VAL 64 -4.671 9.927 3.964
465 HG13 VAL 64 HG13 VAL 64 -3.339 10.137 5.100
466 HG21 VAL 64 HG21 VAL 64 -3.300 12.620 4.471
467 HG22 VAL 64 HG22 VAL 64 -4.642 12.295 3.374
468 HG23 VAL 64 HG23 VAL 64 -3.171 13.054 2.768
469 H ALA 65 HN ALA 65 -0.444 10.396 1.044
470 HA ALA 65 HA ALA 65 -0.160 7.585 1.420
471 HB1 ALA 65 HB1 ALA 65 -0.544 8.546 -0.810
472 HB2 ALA 65 HB2 ALA 65 0.956 7.617 -0.769
473 HB3 ALA 65 HB3 ALA 65 1.008 9.378 -0.719
474 H GLY 66 HN GLY 66 1.943 10.388 1.614
475 HA2 GLY 66 HA2 GLY 66 4.280 8.876 2.233
476 HA3 GLY 66 HA1 GLY 66 4.059 10.600 2.501
477 H ARG 67 HN ARG 67 1.481 9.371 3.881
478 HA ARG 67 HA ARG 67 2.550 9.480 6.598
479 HB2 ARG 67 HB2 ARG 67 0.536 10.792 6.074
480 HB3 ARG 67 HB1 ARG 67 -0.296 9.339 5.556
481 HG2 ARG 67 HG2 ARG 67 0.113 8.525 7.977
482 HG3 ARG 67 HG1 ARG 67 0.413 10.228 8.321
483 HD2 ARG 67 HD2 ARG 67 -1.787 10.823 7.537
484 HD3 ARG 67 HD1 ARG 67 -2.087 9.170 7.002
485 HE ARG 67 HE ARG 67 -2.286 10.222 9.671
486 HH11 ARG 67 HH11 ARG 67 -1.898 7.218 7.789
487 HH12 ARG 67 HH12 ARG 67 -2.416 6.195 9.050
488 HH21 ARG 67 HH21 ARG 67 -3.063 8.797 11.362
489 HH22 ARG 67 HH22 ARG 67 -3.141 7.115 11.106
490 H VAL 68 HN VAL 68 1.802 7.084 4.259
491 HA VAL 68 HA VAL 68 0.873 5.233 6.234
492 HB VAL 68 HB VAL 68 0.558 3.557 4.458
493 HG11 VAL 68 HG11 VAL 68 -1.212 5.093 4.924
494 HG12 VAL 68 HG12 VAL 68 -1.180 4.721 3.202
495 HG13 VAL 68 HG13 VAL 68 -0.548 6.259 3.780
496 HG21 VAL 68 HG21 VAL 68 0.829 4.138 2.090
497 HG22 VAL 68 HG22 VAL 68 2.395 4.132 2.913
498 HG23 VAL 68 HG23 VAL 68 1.582 5.657 2.544
499 H ASP 69 HN ASP 69 2.469 5.315 7.536
500 HA ASP 69 HA ASP 69 5.167 4.710 7.225
501 HB2 ASP 69 HB2 ASP 69 4.080 5.732 9.213
502 HB3 ASP 69 HB1 ASP 69 3.415 4.158 9.620
503 H THR 70 HN THR 70 2.454 2.571 7.973
504 HA THR 70 HA THR 70 4.159 0.243 7.446
505 HB THR 70 HB THR 70 2.523 -1.001 8.874
506 HG1 THR 70 HG1 THR 70 1.481 1.039 10.255
507 HG21 THR 70 HG21 THR 70 3.858 1.338 10.257
508 HG22 THR 70 HG22 THR 70 4.622 -0.206 9.878
509 HG23 THR 70 HG23 THR 70 3.305 -0.136 11.052
510 HA PRO 71 HA PRO 71 1.253 -0.831 4.178
511 HB2 PRO 71 HB2 PRO 71 0.996 -3.543 5.372
512 HB3 PRO 71 HB1 PRO 71 1.515 -3.085 3.745
513 HG2 PRO 71 HG2 PRO 71 3.269 -3.966 5.532
514 HG3 PRO 71 HG1 PRO 71 3.683 -2.642 4.423
515 HD2 PRO 71 HD2 PRO 71 2.902 -2.526 7.306
516 HD3 PRO 71 HD1 PRO 71 4.163 -1.620 6.441
517 H ARG 72 HN ARG 72 0.590 -1.593 7.495
518 HA ARG 72 HA ARG 72 -2.151 -2.128 7.313
519 HB2 ARG 72 HB2 ARG 72 -0.951 -2.694 9.333
520 HB3 ARG 72 HB1 ARG 72 -0.510 -1.014 9.598
521 HG2 ARG 72 HG2 ARG 72 -2.293 -1.749 11.109
522 HG3 ARG 72 HG1 ARG 72 -2.829 -0.449 10.050
523 HD2 ARG 72 HD2 ARG 72 -4.570 -2.118 10.223
524 HD3 ARG 72 HD1 ARG 72 -3.914 -2.125 8.591
525 HE ARG 72 HE ARG 72 -2.737 -4.020 10.410
526 HH11 ARG 72 HH11 ARG 72 -5.311 -3.501 7.970
527 HH12 ARG 72 HH12 ARG 72 -5.537 -5.140 7.642
528 HH21 ARG 72 HH21 ARG 72 -3.094 -6.344 9.927
529 HH22 ARG 72 HH22 ARG 72 -4.261 -6.762 8.753
530 H GLU 73 HN GLU 73 -0.347 0.906 7.669
531 HA GLU 73 HA GLU 73 -2.559 2.601 8.037
532 HB2 GLU 73 HB2 GLU 73 0.067 3.193 6.671
533 HB3 GLU 73 HB1 GLU 73 -1.114 4.407 7.125
534 HG2 GLU 73 HG2 GLU 73 0.440 2.625 8.976
535 HG3 GLU 73 HG1 GLU 73 0.690 4.348 8.709
536 H LEU 74 HN LEU 74 -0.901 1.622 5.081
537 HA LEU 74 HA LEU 74 -2.429 3.163 3.265
538 HB2 LEU 74 HB2 LEU 74 -0.168 1.760 2.974
539 HB3 LEU 74 HB1 LEU 74 -1.293 0.501 2.507
540 HG LEU 74 HG LEU 74 -1.081 3.149 1.072
541 HD11 LEU 74 HD11 LEU 74 1.003 1.925 0.876
542 HD12 LEU 74 HD12 LEU 74 0.129 1.910 -0.654
543 HD13 LEU 74 HD13 LEU 74 0.127 0.480 0.375
544 HD21 LEU 74 HD21 LEU 74 -2.397 0.545 0.285
545 HD22 LEU 74 HD22 LEU 74 -2.305 2.001 -0.706
546 HD23 LEU 74 HD23 LEU 74 -3.239 2.009 0.791
547 H LEU 75 HN LEU 75 -2.686 -0.170 4.391
548 HA LEU 75 HA LEU 75 -4.935 -0.814 2.841
549 HB2 LEU 75 HB2 LEU 75 -3.401 -2.496 3.749
550 HB3 LEU 75 HB1 LEU 75 -3.917 -2.095 5.374
551 HG LEU 75 HG LEU 75 -6.157 -2.960 4.895
552 HD11 LEU 75 HD11 LEU 75 -6.222 -2.417 2.499
553 HD12 LEU 75 HD12 LEU 75 -6.673 -4.074 2.825
554 HD13 LEU 75 HD13 LEU 75 -5.065 -3.716 2.178
555 HD21 LEU 75 HD21 LEU 75 -5.566 -5.323 4.674
556 HD22 LEU 75 HD22 LEU 75 -4.473 -4.479 5.773
557 HD23 LEU 75 HD23 LEU 75 -3.949 -4.868 4.133
558 H ASP 76 HN ASP 76 -4.572 0.549 6.071
559 HA ASP 76 HA ASP 76 -7.265 0.218 6.897
560 HB2 ASP 76 HB2 ASP 76 -5.540 0.595 8.551
561 HB3 ASP 76 HB1 ASP 76 -5.124 2.138 7.823
562 H LEU 77 HN LEU 77 -5.530 2.805 5.322
563 HA LEU 77 HA LEU 77 -7.625 4.658 5.238
564 HB2 LEU 77 HB2 LEU 77 -5.348 4.212 3.327
565 HB3 LEU 77 HB1 LEU 77 -6.413 5.594 3.274
566 HG LEU 77 HG LEU 77 -4.526 4.891 5.518
567 HD11 LEU 77 HD11 LEU 77 -3.405 5.693 3.529
568 HD12 LEU 77 HD12 LEU 77 -3.336 6.894 4.815
569 HD13 LEU 77 HD13 LEU 77 -4.468 7.097 3.476
570 HD21 LEU 77 HD21 LEU 77 -6.348 7.278 5.186
571 HD22 LEU 77 HD22 LEU 77 -5.154 7.066 6.465
572 HD23 LEU 77 HD23 LEU 77 -6.546 5.984 6.366
573 H ILE 78 HN ILE 78 -6.635 2.197 2.871
574 HA ILE 78 HA ILE 78 -8.845 2.820 1.192
575 HB ILE 78 HB ILE 78 -6.951 0.464 1.116
576 HG12 ILE 78 HG12 ILE 78 -7.105 3.039 -0.463
577 HG13 ILE 78 HG11 ILE 78 -5.846 2.550 0.661
578 HG21 ILE 78 HG21 ILE 78 -7.799 0.030 -1.165
579 HG22 ILE 78 HG22 ILE 78 -9.003 1.301 -0.951
580 HG23 ILE 78 HG23 ILE 78 -9.073 -0.155 0.040
581 HD11 ILE 78 HD11 ILE 78 -5.119 0.817 -0.862
582 HD12 ILE 78 HD12 ILE 78 -5.191 2.381 -1.736
583 HD13 ILE 78 HD13 ILE 78 -6.463 1.188 -1.936
584 H ASN 79 HN ASN 79 -8.372 0.614 3.800
585 HA ASN 79 HA ASN 79 -10.696 -0.960 3.487
586 HB2 ASN 79 HB2 ASN 79 -8.957 -0.302 5.832
587 HB3 ASN 79 HB1 ASN 79 -10.553 -0.953 6.168
588 HD21 ASN 79 HD21 ASN 79 -8.724 -1.899 3.347
589 HD22 ASN 79 HD22 ASN 79 -8.377 -3.511 3.891
590 H GLY 80 HN GLY 80 -10.248 2.267 4.671
591 HA2 GLY 80 HA2 GLY 80 -13.014 2.450 5.501
592 HA3 GLY 80 HA1 GLY 80 -11.816 3.740 5.543
593 H ALA 81 HN ALA 81 -10.949 3.530 2.863
594 HA ALA 81 HA ALA 81 -12.786 5.330 1.697
595 HB1 ALA 81 HB1 ALA 81 -11.268 5.369 -0.205
596 HB2 ALA 81 HB2 ALA 81 -10.442 3.937 0.408
597 HB3 ALA 81 HB3 ALA 81 -10.364 5.450 1.308
598 H LEU 82 HN LEU 82 -12.007 1.955 1.043
599 HA LEU 82 HA LEU 82 -13.805 1.754 -1.152
600 HB2 LEU 82 HB2 LEU 82 -12.297 -0.217 0.487
601 HB3 LEU 82 HB1 LEU 82 -13.533 -0.772 -0.604
602 HG LEU 82 HG LEU 82 -10.989 0.707 -1.332
603 HD11 LEU 82 HD11 LEU 82 -10.421 -1.376 -2.466
604 HD12 LEU 82 HD12 LEU 82 -11.923 -2.102 -1.893
605 HD13 LEU 82 HD13 LEU 82 -10.675 -1.633 -0.739
606 HD21 LEU 82 HD21 LEU 82 -12.843 1.389 -2.791
607 HD22 LEU 82 HD22 LEU 82 -13.206 -0.304 -3.123
608 HD23 LEU 82 HD23 LEU 82 -11.677 0.391 -3.657
609 H ALA 83 HN ALA 83 -14.270 1.789 2.195
610 HA ALA 83 HA ALA 83 -16.706 0.240 2.071
611 HB1 ALA 83 HB1 ALA 83 -16.909 0.734 4.462
612 HB2 ALA 83 HB2 ALA 83 -15.540 1.838 4.353
613 HB3 ALA 83 HB3 ALA 83 -15.301 0.111 4.084
614 H GLU 84 HN GLU 84 -15.721 3.605 2.538
615 HA GLU 84 HA GLU 84 -18.421 4.521 2.638
616 HB2 GLU 84 HB2 GLU 84 -17.431 6.803 2.589
617 HB3 GLU 84 HB1 GLU 84 -16.825 5.781 3.881
618 HG2 GLU 84 HG2 GLU 84 -14.780 5.393 2.659
619 HG3 GLU 84 HG1 GLU 84 -15.397 6.315 1.289
620 H ALA 85 HN ALA 85 -15.890 4.603 0.121
621 HA ALA 85 HA ALA 85 -17.827 5.785 -1.672
622 HB1 ALA 85 HB1 ALA 85 -14.929 5.071 -2.178
623 HB2 ALA 85 HB2 ALA 85 -15.531 6.668 -1.728
624 HB3 ALA 85 HB3 ALA 85 -15.985 5.960 -3.276
625 H ALA 86 HN ALA 86 -19.156 3.952 -1.417
626 HA ALA 86 HA ALA 86 -18.882 2.144 -3.599
627 HB1 ALA 86 HB1 ALA 86 -19.094 0.093 -2.234
628 HB2 ALA 86 HB2 ALA 86 -18.922 1.057 -0.768
629 HB3 ALA 86 HB3 ALA 86 -17.576 0.928 -1.900
630 H28 SXM 87 H28A SXM 87 7.822 11.659 -1.908
631 H28A SXM 87 H28B SXM 87 8.653 11.865 -0.369
632 H30 SXM 87 H30A SXM 87 8.601 14.839 -3.373
633 H30A SXM 87 H30B SXM 87 7.643 13.363 -3.471
634 H30B SXM 87 H30C SXM 87 9.393 13.294 -3.687
635 H31 SXM 87 H31C SXM 87 7.622 15.289 -1.078
636 H31A SXM 87 H31A SXM 87 7.671 14.007 0.132
637 H31B SXM 87 H31B SXM 87 6.659 13.827 -1.301
638 H32 SXM 87 H32A SXM 87 10.963 13.685 -1.604
639 HO33 SXM 87 H33A SXM 87 10.231 14.863 0.648
640 HN36 SXM 87 H36A SXM 87 10.597 15.460 -3.263
641 H37 SXM 87 H37B SXM 87 11.440 17.972 -2.538
642 H37A SXM 87 H37A SXM 87 9.670 18.023 -2.479
643 H38 SXM 87 H38A SXM 87 11.345 17.403 -4.897
644 H38A SXM 87 H38B SXM 87 9.656 17.053 -4.757
645 HN41 SXM 87 H41A SXM 87 9.675 19.716 -2.984
646 H42 SXM 87 H42A SXM 87 9.853 21.814 -4.974
647 H42A SXM 87 H42B SXM 87 8.236 21.337 -4.517
648 H43 SXM 87 H43A SXM 87 10.295 22.507 -2.663
649 H43A SXM 87 H43B SXM 87 8.819 21.697 -2.147
650 H2 SXM 87 H2A SXM 87 8.034 26.227 -0.631
651 H2A SXM 87 H2B SXM 87 6.730 25.299 -1.331
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -20.043 -2.142 -3.128
2 H2 MET 1 HT2 MET 1 -21.364 -3.199 -3.167
3 H3 MET 1 HT3 MET 1 -20.018 -3.498 -4.150
4 HA MET 1 HA MET 1 -20.189 -3.530 -1.205
5 HB2 MET 1 HB2 MET 1 -21.189 -5.502 -2.300
6 HB3 MET 1 HB1 MET 1 -19.697 -5.775 -3.182
7 HG2 MET 1 HG2 MET 1 -18.531 -6.212 -1.082
8 HG3 MET 1 HG1 MET 1 -20.021 -5.908 -0.190
9 HE1 MET 1 HE1 MET 1 -19.524 -9.775 0.201
10 HE2 MET 1 HE2 MET 1 -19.751 -8.242 1.046
11 HE3 MET 1 HE3 MET 1 -18.262 -8.546 0.148
12 H ALA 2 HN ALA 2 -18.386 -3.483 -0.116
13 HA ALA 2 HA ALA 2 -16.041 -2.543 -1.460
14 HB1 ALA 2 HB1 ALA 2 -16.566 -3.113 1.445
15 HB2 ALA 2 HB2 ALA 2 -16.800 -1.561 0.642
16 HB3 ALA 2 HB3 ALA 2 -15.180 -2.250 0.788
17 H THR 3 HN THR 3 -14.842 -4.073 -2.447
18 HA THR 3 HA THR 3 -14.253 -6.475 -0.933
19 HB THR 3 HB THR 3 -14.666 -6.895 -3.290
20 HG1 THR 3 HG1 THR 3 -11.866 -7.005 -3.178
21 HG21 THR 3 HG21 THR 3 -12.480 -4.889 -3.919
22 HG22 THR 3 HG22 THR 3 -14.199 -4.695 -4.274
23 HG23 THR 3 HG23 THR 3 -13.260 -5.937 -5.100
24 H LEU 4 HN LEU 4 -12.849 -6.114 0.604
25 HA LEU 4 HA LEU 4 -11.012 -3.929 0.485
26 HB2 LEU 4 HB2 LEU 4 -11.192 -6.165 2.497
27 HB3 LEU 4 HB1 LEU 4 -10.306 -4.668 2.684
28 HG LEU 4 HG LEU 4 -13.281 -4.967 2.506
29 HD11 LEU 4 HD11 LEU 4 -13.266 -4.210 4.839
30 HD12 LEU 4 HD12 LEU 4 -11.503 -4.226 4.817
31 HD13 LEU 4 HD13 LEU 4 -12.401 -5.730 4.624
32 HD21 LEU 4 HD21 LEU 4 -11.633 -2.480 2.928
33 HD22 LEU 4 HD22 LEU 4 -13.398 -2.562 3.011
34 HD23 LEU 4 HD23 LEU 4 -12.574 -2.866 1.488
35 H LEU 5 HN LEU 5 -8.807 -4.035 0.380
36 HA LEU 5 HA LEU 5 -7.783 -6.018 -1.323
37 HB2 LEU 5 HB2 LEU 5 -6.352 -3.837 0.259
38 HB3 LEU 5 HB1 LEU 5 -5.570 -4.903 -0.905
39 HG LEU 5 HG LEU 5 -7.742 -2.897 -1.429
40 HD11 LEU 5 HD11 LEU 5 -5.581 -1.903 -0.927
41 HD12 LEU 5 HD12 LEU 5 -5.988 -1.712 -2.635
42 HD13 LEU 5 HD13 LEU 5 -4.819 -2.933 -2.139
43 HD21 LEU 5 HD21 LEU 5 -7.344 -3.415 -3.773
44 HD22 LEU 5 HD22 LEU 5 -7.929 -4.824 -2.889
45 HD23 LEU 5 HD23 LEU 5 -6.220 -4.686 -3.305
46 H THR 6 HN THR 6 -7.023 -7.963 -0.877
47 HA THR 6 HA THR 6 -6.884 -8.795 1.841
48 HB THR 6 HB THR 6 -6.266 -10.997 0.846
49 HG1 THR 6 HG1 THR 6 -6.287 -11.156 -1.426
50 HG21 THR 6 HG21 THR 6 -8.666 -9.652 -0.419
51 HG22 THR 6 HG22 THR 6 -8.629 -10.407 1.174
52 HG23 THR 6 HG23 THR 6 -8.417 -11.395 -0.273
53 H THR 7 HN THR 7 -4.750 -10.448 2.063
54 HA THR 7 HA THR 7 -2.740 -8.433 2.179
55 HB THR 7 HB THR 7 -2.472 -11.320 3.065
56 HG1 THR 7 HG1 THR 7 -3.753 -9.046 4.132
57 HG21 THR 7 HG21 THR 7 -0.372 -10.051 2.906
58 HG22 THR 7 HG22 THR 7 -0.792 -10.317 4.607
59 HG23 THR 7 HG23 THR 7 -1.082 -8.749 3.849
60 H ASP 8 HN ASP 8 -3.518 -11.113 0.129
61 HA ASP 8 HA ASP 8 -0.867 -11.209 -0.987
62 HB2 ASP 8 HB2 ASP 8 -2.201 -13.252 -1.094
63 HB3 ASP 8 HB1 ASP 8 -3.400 -12.432 -2.096
64 H ASP 9 HN ASP 9 -3.997 -9.908 -2.054
65 HA ASP 9 HA ASP 9 -3.126 -8.943 -4.542
66 HB2 ASP 9 HB2 ASP 9 -5.531 -9.109 -3.785
67 HB3 ASP 9 HB1 ASP 9 -5.260 -7.677 -2.799
68 H LEU 10 HN LEU 10 -3.220 -7.430 -1.377
69 HA LEU 10 HA LEU 10 -2.124 -4.920 -2.005
70 HB2 LEU 10 HB2 LEU 10 -3.172 -5.357 0.122
71 HB3 LEU 10 HB1 LEU 10 -2.017 -6.618 0.491
72 HG LEU 10 HG LEU 10 -0.246 -4.886 0.661
73 HD11 LEU 10 HD11 LEU 10 -2.543 -2.976 0.375
74 HD12 LEU 10 HD12 LEU 10 -1.210 -3.203 -0.767
75 HD13 LEU 10 HD13 LEU 10 -0.893 -2.555 0.851
76 HD21 LEU 10 HD21 LEU 10 -2.648 -4.484 2.438
77 HD22 LEU 10 HD22 LEU 10 -0.996 -3.986 2.811
78 HD23 LEU 10 HD23 LEU 10 -1.385 -5.700 2.648
79 H ARG 11 HN ARG 11 -0.601 -7.892 -0.848
80 HA ARG 11 HA ARG 11 2.048 -7.078 -0.746
81 HB2 ARG 11 HB2 ARG 11 1.267 -9.141 0.238
82 HB3 ARG 11 HB1 ARG 11 0.895 -9.792 -1.347
83 HG2 ARG 11 HG2 ARG 11 3.234 -9.848 -1.905
84 HG3 ARG 11 HG1 ARG 11 3.638 -9.078 -0.365
85 HD2 ARG 11 HD2 ARG 11 3.999 -11.488 -0.263
86 HD3 ARG 11 HD1 ARG 11 2.725 -10.980 0.840
87 HE ARG 11 HE ARG 11 1.593 -11.783 -1.611
88 HH11 ARG 11 HH11 ARG 11 3.046 -13.136 1.315
89 HH12 ARG 11 HH12 ARG 11 2.383 -14.696 1.089
90 HH21 ARG 11 HH21 ARG 11 0.597 -13.865 -1.836
91 HH22 ARG 11 HH22 ARG 11 0.936 -15.118 -0.726
92 H ARG 12 HN ARG 12 0.356 -8.683 -3.442
93 HA ARG 12 HA ARG 12 2.565 -8.965 -5.127
94 HB2 ARG 12 HB2 ARG 12 -0.322 -8.534 -5.928
95 HB3 ARG 12 HB1 ARG 12 0.944 -9.118 -6.997
96 HG2 ARG 12 HG2 ARG 12 -0.004 -10.521 -4.504
97 HG3 ARG 12 HG1 ARG 12 -0.484 -10.927 -6.153
98 HD2 ARG 12 HD2 ARG 12 1.724 -11.522 -6.729
99 HD3 ARG 12 HD1 ARG 12 2.411 -10.951 -5.226
100 HE ARG 12 HE ARG 12 0.514 -12.874 -4.582
101 HH11 ARG 12 HH11 ARG 12 3.519 -12.639 -6.401
102 HH12 ARG 12 HH12 ARG 12 3.991 -14.258 -6.159
103 HH21 ARG 12 HH21 ARG 12 1.150 -15.161 -4.216
104 HH22 ARG 12 HH22 ARG 12 2.647 -15.690 -4.848
105 H ALA 13 HN ALA 13 0.251 -6.308 -4.993
106 HA ALA 13 HA ALA 13 1.505 -4.788 -7.026
107 HB1 ALA 13 HB1 ALA 13 -0.334 -3.892 -4.799
108 HB2 ALA 13 HB2 ALA 13 -0.833 -4.434 -6.400
109 HB3 ALA 13 HB3 ALA 13 0.090 -2.941 -6.222
110 H LEU 14 HN LEU 14 1.771 -4.827 -3.513
111 HA LEU 14 HA LEU 14 3.396 -2.570 -3.156
112 HB2 LEU 14 HB2 LEU 14 2.141 -3.850 -1.404
113 HB3 LEU 14 HB1 LEU 14 3.350 -5.111 -1.521
114 HG LEU 14 HG LEU 14 5.051 -3.408 -0.806
115 HD11 LEU 14 HD11 LEU 14 3.816 -1.413 -1.417
116 HD12 LEU 14 HD12 LEU 14 4.247 -1.395 0.292
117 HD13 LEU 14 HD13 LEU 14 2.596 -1.780 -0.201
118 HD21 LEU 14 HD21 LEU 14 4.143 -5.047 0.740
119 HD22 LEU 14 HD22 LEU 14 2.780 -3.984 1.087
120 HD23 LEU 14 HD23 LEU 14 4.414 -3.506 1.550
121 H VAL 15 HN VAL 15 4.166 -5.970 -3.565
122 HA VAL 15 HA VAL 15 6.956 -5.828 -3.354
123 HB VAL 15 HB VAL 15 5.207 -7.860 -4.792
124 HG11 VAL 15 HG11 VAL 15 7.133 -9.359 -4.669
125 HG12 VAL 15 HG12 VAL 15 8.110 -8.052 -4.003
126 HG13 VAL 15 HG13 VAL 15 7.490 -7.940 -5.650
127 HG21 VAL 15 HG21 VAL 15 6.514 -7.905 -2.083
128 HG22 VAL 15 HG22 VAL 15 5.597 -9.227 -2.813
129 HG23 VAL 15 HG23 VAL 15 4.792 -7.710 -2.411
130 H GLU 16 HN GLU 16 4.872 -5.910 -6.281
131 HA GLU 16 HA GLU 16 7.105 -5.697 -7.980
132 HB2 GLU 16 HB2 GLU 16 5.562 -5.350 -9.826
133 HB3 GLU 16 HB1 GLU 16 5.018 -6.645 -8.779
134 HG2 GLU 16 HG2 GLU 16 3.341 -5.232 -7.817
135 HG3 GLU 16 HG1 GLU 16 3.901 -3.864 -8.784
136 H SER 17 HN SER 17 5.092 -3.244 -6.496
137 HA SER 17 HA SER 17 6.185 -1.134 -8.068
138 HB2 SER 17 HB2 SER 17 4.715 -1.000 -5.440
139 HB3 SER 17 HB1 SER 17 4.972 0.332 -6.567
140 HG SER 17 HG SER 17 3.312 -1.882 -6.726
141 H ALA 18 HN ALA 18 7.368 -2.905 -5.422
142 HA ALA 18 HA ALA 18 8.919 -0.889 -4.148
143 HB1 ALA 18 HB1 ALA 18 8.382 -3.008 -3.052
144 HB2 ALA 18 HB2 ALA 18 10.120 -2.729 -3.091
145 HB3 ALA 18 HB3 ALA 18 9.382 -3.868 -4.221
146 H GLY 19 HN GLY 19 9.308 -2.747 -6.961
147 HA2 GLY 19 HA2 GLY 19 11.733 -1.350 -7.648
148 HA3 GLY 19 HA1 GLY 19 11.893 -3.104 -7.503
149 H GLU 20 HN GLU 20 11.618 -4.158 -9.331
150 HA GLU 20 HA GLU 20 9.388 -3.355 -11.008
151 HB2 GLU 20 HB2 GLU 20 11.471 -2.318 -11.949
152 HB3 GLU 20 HB1 GLU 20 12.129 -3.950 -12.087
153 HG2 GLU 20 HG2 GLU 20 10.272 -4.544 -13.586
154 HG3 GLU 20 HG1 GLU 20 9.670 -2.894 -13.474
155 H THR 21 HN THR 21 8.215 -5.073 -11.396
156 HA THR 21 HA THR 21 7.500 -7.221 -11.564
157 HB THR 21 HB THR 21 10.319 -7.732 -12.542
158 HG1 THR 21 HG1 THR 21 8.159 -6.348 -13.604
159 HG21 THR 21 HG21 THR 21 7.709 -9.135 -13.202
160 HG22 THR 21 HG22 THR 21 8.988 -9.787 -12.180
161 HG23 THR 21 HG23 THR 21 9.284 -9.520 -13.898
162 H ASP 22 HN ASP 22 7.472 -7.094 -9.244
163 HA ASP 22 HA ASP 22 7.808 -7.781 -7.128
164 HB2 ASP 22 HB2 ASP 22 9.062 -10.240 -8.443
165 HB3 ASP 22 HB1 ASP 22 8.691 -10.091 -6.728
166 H GLY 23 HN GLY 23 9.081 -6.082 -6.628
167 HA2 GLY 23 HA2 GLY 23 11.923 -6.158 -7.090
168 HA3 GLY 23 HA1 GLY 23 11.023 -4.877 -6.306
169 H THR 24 HN THR 24 9.936 -5.814 -4.161
170 HA THR 24 HA THR 24 11.935 -7.330 -2.653
171 HB THR 24 HB THR 24 10.437 -4.821 -1.767
172 HG1 THR 24 HG1 THR 24 12.234 -4.347 -3.158
173 HG21 THR 24 HG21 THR 24 12.519 -6.473 -0.310
174 HG22 THR 24 HG22 THR 24 10.799 -6.424 0.078
175 HG23 THR 24 HG23 THR 24 11.791 -4.982 0.286
176 H ASP 25 HN ASP 25 10.865 -9.138 -2.061
177 HA ASP 25 HA ASP 25 7.974 -9.163 -2.112
178 HB2 ASP 25 HB2 ASP 25 8.036 -11.495 -2.076
179 HB3 ASP 25 HB1 ASP 25 9.514 -11.099 -2.931
180 H LEU 26 HN LEU 26 6.661 -9.772 -0.453
181 HA LEU 26 HA LEU 26 7.735 -9.518 2.277
182 HB2 LEU 26 HB2 LEU 26 5.219 -8.200 1.203
183 HB3 LEU 26 HB1 LEU 26 5.618 -8.313 2.894
184 HG LEU 26 HG LEU 26 6.038 -6.135 2.301
185 HD11 LEU 26 HD11 LEU 26 7.774 -6.985 3.649
186 HD12 LEU 26 HD12 LEU 26 8.426 -5.788 2.523
187 HD13 LEU 26 HD13 LEU 26 8.677 -7.515 2.229
188 HD21 LEU 26 HD21 LEU 26 7.535 -7.076 -0.134
189 HD22 LEU 26 HD22 LEU 26 7.380 -5.397 0.379
190 HD23 LEU 26 HD23 LEU 26 5.949 -6.307 -0.110
191 H SER 27 HN SER 27 7.523 -11.908 1.491
192 HA SER 27 HA SER 27 4.843 -12.859 1.340
193 HB2 SER 27 HB2 SER 27 7.388 -14.461 1.396
194 HB3 SER 27 HB1 SER 27 5.802 -15.018 0.838
195 HG SER 27 HG SER 27 7.655 -13.348 -0.361
196 H GLY 28 HN GLY 28 6.617 -12.115 3.849
197 HA2 GLY 28 HA2 GLY 28 5.576 -14.189 5.647
198 HA3 GLY 28 HA1 GLY 28 6.711 -12.915 6.096
199 H ASP 29 HN ASP 29 5.831 -11.541 7.500
200 HA ASP 29 HA ASP 29 3.075 -10.672 6.964
201 HB2 ASP 29 HB2 ASP 29 3.246 -12.193 8.998
202 HB3 ASP 29 HB1 ASP 29 4.227 -10.939 9.752
203 H PHE 30 HN PHE 30 3.010 -8.594 6.578
204 HA PHE 30 HA PHE 30 5.311 -6.945 7.432
205 HB2 PHE 30 HB2 PHE 30 5.207 -5.834 5.240
206 HB3 PHE 30 HB1 PHE 30 5.564 -7.553 5.119
207 HD1 PHE 30 HD2 PHE 30 3.824 -9.120 4.279
208 HD2 PHE 30 HD1 PHE 30 3.207 -4.914 4.282
209 HE1 PHE 30 HE2 PHE 30 1.959 -9.396 2.709
210 HE2 PHE 30 HE1 PHE 30 1.338 -5.189 2.710
211 HZ PHE 30 HZ PHE 30 0.712 -7.428 1.920
212 H LEU 31 HN LEU 31 2.174 -7.201 8.076
213 HA LEU 31 HA LEU 31 1.060 -4.782 7.165
214 HB2 LEU 31 HB2 LEU 31 0.167 -6.640 9.344
215 HB3 LEU 31 HB1 LEU 31 -0.700 -5.170 8.968
216 HG LEU 31 HG LEU 31 -1.827 -6.969 7.933
217 HD11 LEU 31 HD11 LEU 31 -1.774 -6.357 5.568
218 HD12 LEU 31 HD12 LEU 31 -0.291 -5.449 5.850
219 HD13 LEU 31 HD13 LEU 31 -1.794 -4.955 6.635
220 HD21 LEU 31 HD21 LEU 31 0.777 -7.719 6.617
221 HD22 LEU 31 HD22 LEU 31 -0.788 -8.448 6.260
222 HD23 LEU 31 HD23 LEU 31 -0.068 -8.641 7.865
223 H ASP 32 HN ASP 32 2.733 -5.482 10.191
224 HA ASP 32 HA ASP 32 2.312 -2.659 10.878
225 HB2 ASP 32 HB2 ASP 32 2.955 -3.162 13.193
226 HB3 ASP 32 HB1 ASP 32 1.617 -4.174 12.688
227 H LEU 33 HN LEU 33 4.360 -4.260 9.169
228 HA LEU 33 HA LEU 33 6.853 -3.407 10.285
229 HB2 LEU 33 HB2 LEU 33 6.023 -4.855 7.843
230 HB3 LEU 33 HB1 LEU 33 7.494 -3.914 7.705
231 HG LEU 33 HG LEU 33 8.553 -5.185 9.454
232 HD11 LEU 33 HD11 LEU 33 7.454 -7.041 10.576
233 HD12 LEU 33 HD12 LEU 33 5.935 -6.624 9.764
234 HD13 LEU 33 HD13 LEU 33 6.682 -5.485 10.893
235 HD21 LEU 33 HD21 LEU 33 7.134 -6.997 7.510
236 HD22 LEU 33 HD22 LEU 33 8.569 -7.420 8.438
237 HD23 LEU 33 HD23 LEU 33 8.650 -6.144 7.223
238 H ARG 34 HN ARG 34 8.143 -1.856 9.561
239 HA ARG 34 HA ARG 34 6.669 0.467 8.567
240 HB2 ARG 34 HB2 ARG 34 9.496 0.277 9.608
241 HB3 ARG 34 HB1 ARG 34 8.656 1.767 9.206
242 HG2 ARG 34 HG2 ARG 34 7.017 1.311 10.974
243 HG3 ARG 34 HG1 ARG 34 7.892 -0.169 11.381
244 HD2 ARG 34 HD2 ARG 34 8.999 2.633 11.488
245 HD3 ARG 34 HD1 ARG 34 8.476 1.681 12.881
246 HE ARG 34 HE ARG 34 10.289 0.075 12.199
247 HH11 ARG 34 HH11 ARG 34 10.527 3.516 11.319
248 HH12 ARG 34 HH12 ARG 34 12.233 3.524 11.380
249 HH21 ARG 34 HH21 ARG 34 12.617 0.129 12.261
250 HH22 ARG 34 HH22 ARG 34 13.445 1.566 11.931
251 H PHE 35 HN PHE 35 6.934 1.334 6.627
252 HA PHE 35 HA PHE 35 8.028 -0.194 4.594
253 HB2 PHE 35 HB2 PHE 35 7.091 2.650 4.635
254 HB3 PHE 35 HB1 PHE 35 7.810 1.943 3.187
255 HD1 PHE 35 HD2 PHE 35 6.790 -0.431 2.586
256 HD2 PHE 35 HD1 PHE 35 4.813 2.582 4.810
257 HE1 PHE 35 HE2 PHE 35 4.624 -1.399 1.959
258 HE2 PHE 35 HE1 PHE 35 2.643 1.626 4.193
259 HZ PHE 35 HZ PHE 35 2.542 -0.368 2.762
260 H GLU 36 HN GLU 36 9.444 2.636 6.163
261 HA GLU 36 HA GLU 36 11.695 2.714 4.449
262 HB2 GLU 36 HB2 GLU 36 12.741 4.175 6.079
263 HB3 GLU 36 HB1 GLU 36 11.060 4.627 5.856
264 HG2 GLU 36 HG2 GLU 36 10.468 3.542 7.936
265 HG3 GLU 36 HG1 GLU 36 12.129 2.989 8.140
266 H ASP 37 HN ASP 37 10.878 0.713 7.083
267 HA ASP 37 HA ASP 37 13.562 -0.136 7.657
268 HB2 ASP 37 HB2 ASP 37 11.965 -0.174 9.477
269 HB3 ASP 37 HB1 ASP 37 10.885 -1.219 8.563
270 H ILE 38 HN ILE 38 10.905 -1.186 5.687
271 HA ILE 38 HA ILE 38 12.423 -3.547 4.910
272 HB ILE 38 HB ILE 38 10.405 -4.248 3.615
273 HG12 ILE 38 HG12 ILE 38 9.123 -1.835 4.934
274 HG13 ILE 38 HG11 ILE 38 9.446 -2.006 3.214
275 HG21 ILE 38 HG21 ILE 38 10.785 -5.076 5.851
276 HG22 ILE 38 HG22 ILE 38 9.056 -4.827 5.594
277 HG23 ILE 38 HG23 ILE 38 9.988 -3.663 6.538
278 HD11 ILE 38 HD11 ILE 38 7.547 -3.685 4.834
279 HD12 ILE 38 HD12 ILE 38 7.853 -3.856 3.105
280 HD13 ILE 38 HD13 ILE 38 7.104 -2.385 3.730
281 H GLY 39 HN GLY 39 13.102 -0.803 4.146
282 HA2 GLY 39 HA2 GLY 39 14.408 -0.054 2.394
283 HA3 GLY 39 HA1 GLY 39 13.979 -1.499 1.508
284 H TYR 40 HN TYR 40 11.407 0.505 2.685
285 HA TYR 40 HA TYR 40 10.879 1.275 -0.080
286 HB2 TYR 40 HB2 TYR 40 9.123 1.031 2.324
287 HB3 TYR 40 HB1 TYR 40 8.634 2.007 0.951
288 HD1 TYR 40 HD1 TYR 40 10.275 -1.339 1.200
289 HD2 TYR 40 HD2 TYR 40 6.943 0.943 -0.144
290 HE1 TYR 40 HE1 TYR 40 9.344 -3.339 0.134
291 HE2 TYR 40 HE2 TYR 40 6.015 -1.036 -1.222
292 HH TYR 40 HH TYR 40 6.734 -3.211 -2.061
293 H ASP 41 HN ASP 41 10.827 3.239 -0.746
294 HA ASP 41 HA ASP 41 10.836 5.453 1.158
295 HB2 ASP 41 HB2 ASP 41 12.933 5.417 -0.161
296 HB3 ASP 41 HB1 ASP 41 12.025 5.191 -1.644
297 H SER 42 HN SER 42 9.738 7.405 -0.372
298 HA SER 42 HA SER 42 7.129 6.518 -0.627
299 HB2 SER 42 HB2 SER 42 6.955 8.828 -1.772
300 HB3 SER 42 HB1 SER 42 7.277 8.725 -0.038
301 H LEU 43 HN LEU 43 9.708 6.654 -2.975
302 HA LEU 43 HA LEU 43 8.200 6.673 -5.326
303 HB2 LEU 43 HB2 LEU 43 10.586 6.771 -5.483
304 HB3 LEU 43 HB1 LEU 43 10.767 5.215 -4.697
305 HG LEU 43 HG LEU 43 9.780 4.111 -6.671
306 HD11 LEU 43 HD11 LEU 43 9.495 5.342 -8.763
307 HD12 LEU 43 HD12 LEU 43 9.790 6.859 -7.912
308 HD13 LEU 43 HD13 LEU 43 8.376 5.879 -7.513
309 HD21 LEU 43 HD21 LEU 43 12.129 5.892 -7.294
310 HD22 LEU 43 HD22 LEU 43 11.686 4.425 -8.170
311 HD23 LEU 43 HD23 LEU 43 12.194 4.330 -6.483
312 H ALA 44 HN ALA 44 9.304 3.770 -3.565
313 HA ALA 44 HA ALA 44 7.737 1.964 -5.065
314 HB1 ALA 44 HB1 ALA 44 8.823 1.658 -2.268
315 HB2 ALA 44 HB2 ALA 44 9.689 1.285 -3.759
316 HB3 ALA 44 HB3 ALA 44 8.261 0.354 -3.315
317 H LEU 45 HN LEU 45 7.167 3.761 -2.152
318 HA LEU 45 HA LEU 45 4.852 2.407 -1.324
319 HB2 LEU 45 HB2 LEU 45 6.201 3.695 0.197
320 HB3 LEU 45 HB1 LEU 45 5.870 5.165 -0.688
321 HG LEU 45 HG LEU 45 3.541 5.102 0.022
322 HD11 LEU 45 HD11 LEU 45 2.782 3.429 1.624
323 HD12 LEU 45 HD12 LEU 45 4.336 2.602 1.512
324 HD13 LEU 45 HD13 LEU 45 3.267 2.671 0.107
325 HD21 LEU 45 HD21 LEU 45 3.889 5.468 2.397
326 HD22 LEU 45 HD22 LEU 45 5.184 6.208 1.442
327 HD23 LEU 45 HD23 LEU 45 5.466 4.685 2.296
328 H MET 46 HN MET 46 5.242 5.484 -3.108
329 HA MET 46 HA MET 46 2.478 6.073 -3.338
330 HB2 MET 46 HB2 MET 46 4.730 6.906 -5.161
331 HB3 MET 46 HB1 MET 46 3.116 7.586 -5.164
332 HG2 MET 46 HG2 MET 46 5.151 7.779 -2.973
333 HG3 MET 46 HG1 MET 46 4.672 9.005 -4.152
334 HE1 MET 46 HE1 MET 46 0.982 9.708 -2.974
335 HE2 MET 46 HE2 MET 46 1.515 8.554 -4.200
336 HE3 MET 46 HE3 MET 46 2.257 10.153 -4.107
337 H GLU 47 HN GLU 47 4.802 4.489 -5.407
338 HA GLU 47 HA GLU 47 3.206 4.117 -7.643
339 HB2 GLU 47 HB2 GLU 47 5.602 3.934 -7.497
340 HB3 GLU 47 HB1 GLU 47 5.476 2.477 -6.543
341 HG2 GLU 47 HG2 GLU 47 6.043 1.985 -8.900
342 HG3 GLU 47 HG1 GLU 47 4.546 1.227 -8.377
343 H THR 48 HN THR 48 3.445 2.310 -4.676
344 HA THR 48 HA THR 48 1.733 0.165 -5.487
345 HB THR 48 HB THR 48 2.448 1.206 -2.724
346 HG1 THR 48 HG1 THR 48 4.312 0.476 -3.718
347 HG21 THR 48 HG21 THR 48 1.280 -1.458 -3.570
348 HG22 THR 48 HG22 THR 48 0.422 -0.180 -2.707
349 HG23 THR 48 HG23 THR 48 1.767 -1.016 -1.931
350 H ALA 49 HN ALA 49 1.339 2.950 -3.286
351 HA ALA 49 HA ALA 49 -1.342 2.662 -2.680
352 HB1 ALA 49 HB1 ALA 49 0.217 4.085 -1.438
353 HB2 ALA 49 HB2 ALA 49 -1.260 4.951 -1.877
354 HB3 ALA 49 HB3 ALA 49 0.226 5.231 -2.778
355 H ALA 50 HN ALA 50 0.054 4.880 -5.119
356 HA ALA 50 HA ALA 50 -2.370 6.032 -5.919
357 HB1 ALA 50 HB1 ALA 50 -1.139 6.896 -7.829
358 HB2 ALA 50 HB2 ALA 50 0.172 5.758 -7.522
359 HB3 ALA 50 HB3 ALA 50 -0.177 7.036 -6.358
360 H ARG 51 HN ARG 51 -0.714 3.168 -6.998
361 HA ARG 51 HA ARG 51 -2.307 2.786 -9.315
362 HB2 ARG 51 HB2 ARG 51 -0.083 1.774 -9.016
363 HB3 ARG 51 HB1 ARG 51 -0.730 0.767 -7.729
364 HG2 ARG 51 HG2 ARG 51 -2.227 -0.314 -9.318
365 HG3 ARG 51 HG1 ARG 51 -1.595 0.717 -10.609
366 HD2 ARG 51 HD2 ARG 51 0.649 -0.182 -10.167
367 HD3 ARG 51 HD1 ARG 51 -0.050 -1.263 -8.966
368 HE ARG 51 HE ARG 51 -1.461 -1.744 -11.231
369 HH11 ARG 51 HH11 ARG 51 2.007 -1.734 -10.445
370 HH12 ARG 51 HH12 ARG 51 2.381 -3.085 -11.413
371 HH21 ARG 51 HH21 ARG 51 -0.921 -3.487 -12.712
372 HH22 ARG 51 HH22 ARG 51 0.693 -4.026 -12.841
373 H LEU 52 HN LEU 52 -2.335 1.481 -6.026
374 HA LEU 52 HA LEU 52 -4.582 -0.183 -6.327
375 HB2 LEU 52 HB2 LEU 52 -3.536 1.182 -3.845
376 HB3 LEU 52 HB1 LEU 52 -4.748 -0.083 -3.857
377 HG LEU 52 HG LEU 52 -1.890 -0.380 -4.751
378 HD11 LEU 52 HD11 LEU 52 -3.297 -1.381 -2.282
379 HD12 LEU 52 HD12 LEU 52 -2.076 -0.109 -2.352
380 HD13 LEU 52 HD13 LEU 52 -1.641 -1.767 -2.755
381 HD21 LEU 52 HD21 LEU 52 -4.085 -2.442 -4.482
382 HD22 LEU 52 HD22 LEU 52 -2.399 -2.777 -4.874
383 HD23 LEU 52 HD23 LEU 52 -3.399 -1.846 -5.993
384 H GLU 53 HN GLU 53 -4.263 3.205 -5.387
385 HA GLU 53 HA GLU 53 -6.883 3.721 -4.715
386 HB2 GLU 53 HB2 GLU 53 -5.110 5.651 -6.212
387 HB3 GLU 53 HB1 GLU 53 -6.589 5.925 -5.301
388 HG2 GLU 53 HG2 GLU 53 -5.587 5.580 -3.266
389 HG3 GLU 53 HG1 GLU 53 -4.103 4.951 -3.999
390 H SER 54 HN SER 54 -5.327 4.380 -7.838
391 HA SER 54 HA SER 54 -7.636 5.124 -9.200
392 HB2 SER 54 HB2 SER 54 -5.099 3.956 -10.345
393 HB3 SER 54 HB1 SER 54 -6.256 5.003 -11.179
394 HG SER 54 HG SER 54 -4.197 5.684 -9.636
395 H ARG 55 HN ARG 55 -6.165 1.970 -8.765
396 HA ARG 55 HA ARG 55 -7.633 0.550 -10.698
397 HB2 ARG 55 HB2 ARG 55 -5.539 -0.236 -9.729
398 HB3 ARG 55 HB1 ARG 55 -6.288 -0.340 -8.150
399 HG2 ARG 55 HG2 ARG 55 -7.683 -2.178 -8.933
400 HG3 ARG 55 HG1 ARG 55 -6.952 -2.048 -10.540
401 HD2 ARG 55 HD2 ARG 55 -4.793 -2.606 -9.693
402 HD3 ARG 55 HD1 ARG 55 -5.355 -2.495 -8.029
403 HE ARG 55 HE ARG 55 -6.369 -4.558 -9.869
404 HH11 ARG 55 HH11 ARG 55 -4.774 -3.663 -6.824
405 HH12 ARG 55 HH12 ARG 55 -4.928 -5.222 -6.142
406 HH21 ARG 55 HH21 ARG 55 -6.479 -6.697 -8.934
407 HH22 ARG 55 HH22 ARG 55 -5.854 -6.952 -7.343
408 H TYR 56 HN TYR 56 -8.454 1.572 -7.437
409 HA TYR 56 HA TYR 56 -10.932 0.022 -7.700
410 HB2 TYR 56 HB2 TYR 56 -9.393 0.672 -5.200
411 HB3 TYR 56 HB1 TYR 56 -11.065 0.109 -5.186
412 HD1 TYR 56 HD2 TYR 56 -7.607 -0.804 -6.050
413 HD2 TYR 56 HD1 TYR 56 -11.601 -2.175 -5.598
414 HE1 TYR 56 HE2 TYR 56 -6.813 -3.126 -6.154
415 HE2 TYR 56 HE1 TYR 56 -10.823 -4.497 -5.697
416 HH TYR 56 HH TYR 56 -8.941 -5.772 -6.540
417 H GLY 57 HN GLY 57 -9.853 3.051 -7.913
418 HA2 GLY 57 HA2 GLY 57 -11.093 4.962 -8.278
419 HA3 GLY 57 HA1 GLY 57 -12.526 4.092 -7.768
420 H VAL 58 HN VAL 58 -9.598 4.429 -5.819
421 HA VAL 58 HA VAL 58 -11.225 6.091 -4.043
422 HB VAL 58 HB VAL 58 -9.961 5.358 -2.083
423 HG11 VAL 58 HG11 VAL 58 -11.888 4.041 -2.696
424 HG12 VAL 58 HG12 VAL 58 -10.606 3.020 -2.006
425 HG13 VAL 58 HG13 VAL 58 -10.859 3.057 -3.747
426 HG21 VAL 58 HG21 VAL 58 -8.292 3.617 -2.163
427 HG22 VAL 58 HG22 VAL 58 -7.788 4.958 -3.204
428 HG23 VAL 58 HG23 VAL 58 -8.502 3.488 -3.902
429 H SER 59 HN SER 59 -9.680 7.410 -2.448
430 HA SER 59 HA SER 59 -7.548 8.617 -4.030
431 HB2 SER 59 HB2 SER 59 -9.873 10.194 -2.903
432 HB3 SER 59 HB1 SER 59 -8.463 10.868 -3.713
433 HG SER 59 HG SER 59 -10.488 9.207 -4.821
434 H ILE 60 HN ILE 60 -5.900 8.466 -2.744
435 HA ILE 60 HA ILE 60 -6.028 9.403 0.046
436 HB ILE 60 HB ILE 60 -4.203 7.299 -1.224
437 HG12 ILE 60 HG12 ILE 60 -6.290 6.996 0.954
438 HG13 ILE 60 HG11 ILE 60 -6.484 6.499 -0.719
439 HG21 ILE 60 HG21 ILE 60 -4.156 8.288 1.641
440 HG22 ILE 60 HG22 ILE 60 -2.946 8.633 0.409
441 HG23 ILE 60 HG23 ILE 60 -3.148 6.995 0.989
442 HD11 ILE 60 HD11 ILE 60 -4.485 5.374 1.231
443 HD12 ILE 60 HD12 ILE 60 -4.716 4.850 -0.441
444 HD13 ILE 60 HD13 ILE 60 -6.005 4.625 0.743
445 HA PRO 61 HA PRO 61 -3.824 12.719 -2.174
446 HB2 PRO 61 HB2 PRO 61 -3.336 13.503 0.668
447 HB3 PRO 61 HB1 PRO 61 -3.906 14.490 -0.684
448 HG2 PRO 61 HG2 PRO 61 -5.614 13.672 1.167
449 HG3 PRO 61 HG1 PRO 61 -6.078 13.650 -0.546
450 HD2 PRO 61 HD2 PRO 61 -5.270 11.389 1.230
451 HD3 PRO 61 HD1 PRO 61 -6.516 11.436 -0.037
452 H ASP 62 HN ASP 62 -1.667 13.280 -2.515
453 HA ASP 62 HA ASP 62 0.284 11.274 -2.180
454 HB2 ASP 62 HB2 ASP 62 0.623 14.203 -2.882
455 HB3 ASP 62 HB1 ASP 62 1.911 13.014 -2.972
456 H ASP 63 HN ASP 63 -0.079 14.353 -0.484
457 HA ASP 63 HA ASP 63 2.092 14.132 1.247
458 HB2 ASP 63 HB2 ASP 63 0.820 16.206 0.977
459 HB3 ASP 63 HB1 ASP 63 -0.585 15.464 1.728
460 H VAL 64 HN VAL 64 -0.975 12.568 1.379
461 HA VAL 64 HA VAL 64 -0.640 11.653 4.122
462 HB VAL 64 HB VAL 64 -2.768 10.906 2.081
463 HG11 VAL 64 HG11 VAL 64 -2.556 9.257 3.864
464 HG12 VAL 64 HG12 VAL 64 -4.072 10.147 4.010
465 HG13 VAL 64 HG13 VAL 64 -2.718 10.529 5.075
466 HG21 VAL 64 HG21 VAL 64 -2.849 12.961 4.286
467 HG22 VAL 64 HG22 VAL 64 -4.219 12.480 3.287
468 HG23 VAL 64 HG23 VAL 64 -2.834 13.291 2.554
469 H ALA 65 HN ALA 65 -0.744 10.305 0.836
470 HA ALA 65 HA ALA 65 -0.288 7.621 1.465
471 HB1 ALA 65 HB1 ALA 65 0.506 9.086 -1.035
472 HB2 ALA 65 HB2 ALA 65 -1.086 8.378 -0.725
473 HB3 ALA 65 HB3 ALA 65 0.344 7.344 -0.861
474 H GLY 66 HN GLY 66 1.981 10.254 0.862
475 HA2 GLY 66 HA2 GLY 66 4.261 8.506 1.062
476 HA3 GLY 66 HA1 GLY 66 4.294 10.265 0.982
477 H ARG 67 HN ARG 67 2.167 9.227 3.323
478 HA ARG 67 HA ARG 67 4.175 9.491 5.445
479 HB2 ARG 67 HB2 ARG 67 2.751 11.512 5.132
480 HB3 ARG 67 HB1 ARG 67 1.330 10.538 5.444
481 HG2 ARG 67 HG2 ARG 67 2.102 10.142 7.724
482 HG3 ARG 67 HG1 ARG 67 3.551 11.099 7.403
483 HD2 ARG 67 HD2 ARG 67 2.172 13.057 6.961
484 HD3 ARG 67 HD1 ARG 67 0.713 12.104 7.226
485 HE ARG 67 HE ARG 67 2.504 12.037 9.439
486 HH11 ARG 67 HH11 ARG 67 0.006 14.082 7.905
487 HH12 ARG 67 HH12 ARG 67 -0.484 14.791 9.374
488 HH21 ARG 67 HH21 ARG 67 1.814 13.061 11.431
489 HH22 ARG 67 HH22 ARG 67 0.520 14.168 11.418
490 H VAL 68 HN VAL 68 2.152 7.319 3.986
491 HA VAL 68 HA VAL 68 1.157 6.087 6.392
492 HB VAL 68 HB VAL 68 0.317 4.209 4.932
493 HG11 VAL 68 HG11 VAL 68 -1.426 5.506 3.824
494 HG12 VAL 68 HG12 VAL 68 -0.483 6.973 4.085
495 HG13 VAL 68 HG13 VAL 68 -1.113 6.067 5.466
496 HG21 VAL 68 HG21 VAL 68 1.904 4.294 3.027
497 HG22 VAL 68 HG22 VAL 68 1.322 5.921 2.650
498 HG23 VAL 68 HG23 VAL 68 0.240 4.562 2.473
499 H ASP 69 HN ASP 69 2.805 5.712 7.568
500 HA ASP 69 HA ASP 69 5.317 4.704 6.854
501 HB2 ASP 69 HB2 ASP 69 4.977 6.060 8.810
502 HB3 ASP 69 HB1 ASP 69 3.923 4.849 9.513
503 H THR 70 HN THR 70 2.471 3.003 8.068
504 HA THR 70 HA THR 70 3.923 0.512 7.516
505 HB THR 70 HB THR 70 2.533 -0.593 9.291
506 HG1 THR 70 HG1 THR 70 1.673 2.097 9.682
507 HG21 THR 70 HG21 THR 70 3.670 0.420 11.232
508 HG22 THR 70 HG22 THR 70 4.103 1.811 10.228
509 HG23 THR 70 HG23 THR 70 4.773 0.223 9.863
510 HA PRO 71 HA PRO 71 0.930 -0.529 4.415
511 HB2 PRO 71 HB2 PRO 71 0.931 -3.263 5.595
512 HB3 PRO 71 HB1 PRO 71 1.228 -2.758 3.924
513 HG2 PRO 71 HG2 PRO 71 3.257 -3.484 5.440
514 HG3 PRO 71 HG1 PRO 71 3.401 -2.066 4.383
515 HD2 PRO 71 HD2 PRO 71 2.923 -2.182 7.336
516 HD3 PRO 71 HD1 PRO 71 3.999 -1.112 6.413
517 H ARG 72 HN ARG 72 0.284 -1.657 7.690
518 HA ARG 72 HA ARG 72 -2.414 -2.277 7.381
519 HB2 ARG 72 HB2 ARG 72 -1.191 -2.995 9.344
520 HB3 ARG 72 HB1 ARG 72 -0.895 -1.335 9.824
521 HG2 ARG 72 HG2 ARG 72 -3.174 -1.022 10.440
522 HG3 ARG 72 HG1 ARG 72 -3.649 -2.550 9.692
523 HD2 ARG 72 HD2 ARG 72 -1.744 -2.321 12.031
524 HD3 ARG 72 HD1 ARG 72 -3.470 -2.651 12.187
525 HE ARG 72 HE ARG 72 -2.858 -4.576 10.569
526 HH11 ARG 72 HH11 ARG 72 -0.956 -3.540 13.439
527 HH12 ARG 72 HH12 ARG 72 -0.288 -5.084 13.691
528 HH21 ARG 72 HH21 ARG 72 -1.924 -6.687 11.013
529 HH22 ARG 72 HH22 ARG 72 -0.794 -6.879 12.270
530 H GLU 73 HN GLU 73 -0.799 0.788 7.703
531 HA GLU 73 HA GLU 73 -3.161 2.315 8.287
532 HB2 GLU 73 HB2 GLU 73 -0.423 3.172 7.340
533 HB3 GLU 73 HB1 GLU 73 -1.688 4.270 7.854
534 HG2 GLU 73 HG2 GLU 73 -1.633 3.355 10.078
535 HG3 GLU 73 HG1 GLU 73 -0.421 2.172 9.585
536 H LEU 74 HN LEU 74 -1.090 1.840 5.436
537 HA LEU 74 HA LEU 74 -2.466 3.435 3.568
538 HB2 LEU 74 HB2 LEU 74 -0.214 2.033 3.370
539 HB3 LEU 74 HB1 LEU 74 -1.301 0.772 2.821
540 HG LEU 74 HG LEU 74 -0.936 3.425 1.416
541 HD11 LEU 74 HD11 LEU 74 0.303 2.140 -0.248
542 HD12 LEU 74 HD12 LEU 74 0.185 0.709 0.776
543 HD13 LEU 74 HD13 LEU 74 1.089 2.119 1.329
544 HD21 LEU 74 HD21 LEU 74 -2.339 0.891 0.529
545 HD22 LEU 74 HD22 LEU 74 -2.096 2.333 -0.454
546 HD23 LEU 74 HD23 LEU 74 -3.132 2.404 0.969
547 H LEU 75 HN LEU 75 -2.792 0.020 4.359
548 HA LEU 75 HA LEU 75 -4.913 -0.581 2.642
549 HB2 LEU 75 HB2 LEU 75 -3.491 -2.289 3.580
550 HB3 LEU 75 HB1 LEU 75 -4.008 -1.880 5.203
551 HG LEU 75 HG LEU 75 -6.280 -2.668 4.661
552 HD11 LEU 75 HD11 LEU 75 -6.242 -2.261 2.250
553 HD12 LEU 75 HD12 LEU 75 -6.711 -3.906 2.634
554 HD13 LEU 75 HD13 LEU 75 -5.081 -3.574 2.044
555 HD21 LEU 75 HD21 LEU 75 -4.674 -4.155 5.717
556 HD22 LEU 75 HD22 LEU 75 -4.084 -4.658 4.131
557 HD23 LEU 75 HD23 LEU 75 -5.733 -5.046 4.620
558 H ASP 76 HN ASP 76 -4.839 0.730 5.908
559 HA ASP 76 HA ASP 76 -7.593 0.213 6.438
560 HB2 ASP 76 HB2 ASP 76 -5.941 0.564 8.239
561 HB3 ASP 76 HB1 ASP 76 -5.818 2.257 7.755
562 H LEU 77 HN LEU 77 -5.775 2.959 5.263
563 HA LEU 77 HA LEU 77 -7.881 4.797 5.107
564 HB2 LEU 77 HB2 LEU 77 -5.504 4.495 3.272
565 HB3 LEU 77 HB1 LEU 77 -6.565 5.882 3.310
566 HG LEU 77 HG LEU 77 -4.690 4.995 5.510
567 HD11 LEU 77 HD11 LEU 77 -3.549 7.088 5.020
568 HD12 LEU 77 HD12 LEU 77 -4.681 7.397 3.705
569 HD13 LEU 77 HD13 LEU 77 -3.580 6.030 3.613
570 HD21 LEU 77 HD21 LEU 77 -5.384 7.030 6.670
571 HD22 LEU 77 HD22 LEU 77 -6.754 5.940 6.443
572 HD23 LEU 77 HD23 LEU 77 -6.571 7.357 5.407
573 H ILE 78 HN ILE 78 -6.701 2.412 2.809
574 HA ILE 78 HA ILE 78 -8.693 2.886 0.883
575 HB ILE 78 HB ILE 78 -6.813 0.561 1.312
576 HG12 ILE 78 HG12 ILE 78 -7.078 2.723 -0.773
577 HG13 ILE 78 HG11 ILE 78 -5.809 2.549 0.429
578 HG21 ILE 78 HG21 ILE 78 -8.847 -0.430 0.410
579 HG22 ILE 78 HG22 ILE 78 -7.559 -0.430 -0.796
580 HG23 ILE 78 HG23 ILE 78 -8.860 0.758 -0.894
581 HD11 ILE 78 HD11 ILE 78 -5.123 1.933 -1.858
582 HD12 ILE 78 HD12 ILE 78 -6.338 0.643 -1.813
583 HD13 ILE 78 HD13 ILE 78 -4.964 0.584 -0.704
584 H ASN 79 HN ASN 79 -8.592 0.691 3.650
585 HA ASN 79 HA ASN 79 -10.937 -0.729 3.177
586 HB2 ASN 79 HB2 ASN 79 -9.460 0.033 5.654
587 HB3 ASN 79 HB1 ASN 79 -11.085 -0.593 5.825
588 HD21 ASN 79 HD21 ASN 79 -8.873 -1.670 3.324
589 HD22 ASN 79 HD22 ASN 79 -8.662 -3.263 3.972
590 H GLY 80 HN GLY 80 -10.483 2.315 4.907
591 HA2 GLY 80 HA2 GLY 80 -13.222 2.715 5.498
592 HA3 GLY 80 HA1 GLY 80 -11.968 3.946 5.523
593 H ALA 81 HN ALA 81 -11.243 3.520 2.750
594 HA ALA 81 HA ALA 81 -13.114 5.336 1.579
595 HB1 ALA 81 HB1 ALA 81 -10.735 3.944 0.349
596 HB2 ALA 81 HB2 ALA 81 -10.707 5.507 1.160
597 HB3 ALA 81 HB3 ALA 81 -11.616 5.308 -0.341
598 H LEU 82 HN LEU 82 -12.075 2.020 0.828
599 HA LEU 82 HA LEU 82 -13.854 1.600 -1.295
600 HB2 LEU 82 HB2 LEU 82 -12.389 -0.300 0.497
601 HB3 LEU 82 HB1 LEU 82 -13.499 -0.880 -0.718
602 HG LEU 82 HG LEU 82 -10.938 0.678 -1.220
603 HD11 LEU 82 HD11 LEU 82 -10.614 -1.640 -0.592
604 HD12 LEU 82 HD12 LEU 82 -10.228 -1.362 -2.292
605 HD13 LEU 82 HD13 LEU 82 -11.745 -2.145 -1.848
606 HD21 LEU 82 HD21 LEU 82 -12.739 1.294 -2.796
607 HD22 LEU 82 HD22 LEU 82 -12.957 -0.418 -3.179
608 HD23 LEU 82 HD23 LEU 82 -11.432 0.392 -3.554
609 H ALA 83 HN ALA 83 -14.300 1.370 2.126
610 HA ALA 83 HA ALA 83 -16.624 -0.185 2.114
611 HB1 ALA 83 HB1 ALA 83 -15.804 1.918 4.112
612 HB2 ALA 83 HB2 ALA 83 -15.312 0.225 4.138
613 HB3 ALA 83 HB3 ALA 83 -17.006 0.656 4.373
614 H GLU 84 HN GLU 84 -16.137 2.911 0.897
615 HA GLU 84 HA GLU 84 -19.033 3.344 0.843
616 HB2 GLU 84 HB2 GLU 84 -16.893 5.451 1.050
617 HB3 GLU 84 HB1 GLU 84 -18.599 5.777 0.780
618 HG2 GLU 84 HG2 GLU 84 -19.120 4.725 2.939
619 HG3 GLU 84 HG1 GLU 84 -17.397 4.482 3.211
620 H ALA 85 HN ALA 85 -15.959 3.801 -0.857
621 HA ALA 85 HA ALA 85 -17.176 4.820 -3.255
622 HB1 ALA 85 HB1 ALA 85 -14.989 5.600 -2.463
623 HB2 ALA 85 HB2 ALA 85 -14.905 4.942 -4.097
624 HB3 ALA 85 HB3 ALA 85 -14.325 3.988 -2.737
625 H ALA 86 HN ALA 86 -17.781 1.974 -2.389
626 HA ALA 86 HA ALA 86 -17.383 0.843 -5.035
627 HB1 ALA 86 HB1 ALA 86 -15.621 -0.164 -3.642
628 HB2 ALA 86 HB2 ALA 86 -16.833 -1.363 -4.096
629 HB3 ALA 86 HB3 ALA 86 -16.838 -0.675 -2.470
630 H28 SXM 87 H28A SXM 87 7.795 13.247 -0.786
631 H28A SXM 87 H28B SXM 87 7.125 12.815 -2.368
632 H30 SXM 87 H30A SXM 87 5.012 10.918 -1.474
633 H30A SXM 87 H30B SXM 87 4.783 12.234 -2.621
634 H30B SXM 87 H30C SXM 87 3.709 12.081 -1.228
635 H31 SXM 87 H31C SXM 87 4.599 12.582 1.076
636 H31A SXM 87 H31A SXM 87 6.293 13.026 1.276
637 H31B SXM 87 H31B SXM 87 5.864 11.382 0.806
638 H32 SXM 87 H32A SXM 87 5.915 14.962 -0.316
639 HO33 SXM 87 H33A SXM 87 3.995 14.475 0.654
640 HN36 SXM 87 H36A SXM 87 3.298 15.163 -2.013
641 H37 SXM 87 H37B SXM 87 3.634 14.981 -4.726
642 H37A SXM 87 H37A SXM 87 4.482 16.468 -4.297
643 H38 SXM 87 H38A SXM 87 1.575 15.875 -3.765
644 H38A SXM 87 H38B SXM 87 2.437 17.313 -3.248
645 HN41 SXM 87 H41A SXM 87 0.518 18.107 -4.483
646 H42 SXM 87 H42A SXM 87 1.364 19.288 -6.915
647 H42A SXM 87 H42B SXM 87 0.083 18.102 -7.170
648 H43 SXM 87 H43A SXM 87 -0.852 20.342 -6.857
649 H43A SXM 87 H43B SXM 87 -0.050 20.448 -5.277
650 H2 SXM 87 H2A SXM 87 -3.526 16.901 -5.446
651 H2A SXM 87 H2B SXM 87 -3.748 16.533 -7.160
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -22.384 -6.176 4.240
2 H2 MET 1 HT2 MET 1 -22.337 -5.243 2.812
3 H3 MET 1 HT3 MET 1 -21.527 -4.716 4.180
4 HA MET 1 HA MET 1 -19.977 -6.448 4.052
5 HB2 MET 1 HB2 MET 1 -21.415 -8.210 3.186
6 HB3 MET 1 HB1 MET 1 -21.611 -7.349 1.669
7 HG2 MET 1 HG2 MET 1 -20.066 -9.226 1.474
8 HG3 MET 1 HG1 MET 1 -19.281 -7.687 1.133
9 HE1 MET 1 HE1 MET 1 -16.920 -8.868 1.355
10 HE2 MET 1 HE2 MET 1 -17.735 -10.395 1.696
11 HE3 MET 1 HE3 MET 1 -16.441 -9.832 2.754
12 H ALA 2 HN ALA 2 -18.500 -4.982 3.719
13 HA ALA 2 HA ALA 2 -18.541 -3.313 1.341
14 HB1 ALA 2 HB1 ALA 2 -16.704 -2.107 2.419
15 HB2 ALA 2 HB2 ALA 2 -16.650 -3.320 3.695
16 HB3 ALA 2 HB3 ALA 2 -18.071 -2.291 3.519
17 H THR 3 HN THR 3 -16.980 -3.320 -0.248
18 HA THR 3 HA THR 3 -15.535 -5.762 -0.673
19 HB THR 3 HB THR 3 -14.961 -4.386 -2.782
20 HG1 THR 3 HG1 THR 3 -15.421 -2.399 -1.850
21 HG21 THR 3 HG21 THR 3 -16.711 -6.128 -2.742
22 HG22 THR 3 HG22 THR 3 -17.198 -4.763 -3.748
23 HG23 THR 3 HG23 THR 3 -17.868 -4.948 -2.127
24 H LEU 4 HN LEU 4 -13.606 -5.871 0.468
25 HA LEU 4 HA LEU 4 -11.985 -3.414 0.700
26 HB2 LEU 4 HB2 LEU 4 -11.768 -5.952 2.312
27 HB3 LEU 4 HB1 LEU 4 -10.869 -4.476 2.573
28 HG LEU 4 HG LEU 4 -13.812 -4.857 2.934
29 HD11 LEU 4 HD11 LEU 4 -12.524 -5.957 4.652
30 HD12 LEU 4 HD12 LEU 4 -13.330 -4.534 5.317
31 HD13 LEU 4 HD13 LEU 4 -11.608 -4.478 4.944
32 HD21 LEU 4 HD21 LEU 4 -12.113 -2.417 3.447
33 HD22 LEU 4 HD22 LEU 4 -13.808 -2.595 3.905
34 HD23 LEU 4 HD23 LEU 4 -13.353 -2.591 2.202
35 H LEU 5 HN LEU 5 -9.584 -3.959 0.869
36 HA LEU 5 HA LEU 5 -8.834 -5.622 -1.386
37 HB2 LEU 5 HB2 LEU 5 -7.319 -3.543 0.242
38 HB3 LEU 5 HB1 LEU 5 -6.516 -4.660 -0.848
39 HG LEU 5 HG LEU 5 -8.639 -2.693 -1.638
40 HD11 LEU 5 HD11 LEU 5 -5.634 -2.585 -1.877
41 HD12 LEU 5 HD12 LEU 5 -6.624 -1.627 -0.775
42 HD13 LEU 5 HD13 LEU 5 -6.776 -1.395 -2.519
43 HD21 LEU 5 HD21 LEU 5 -6.717 -4.385 -3.229
44 HD22 LEU 5 HD22 LEU 5 -7.844 -3.198 -3.890
45 HD23 LEU 5 HD23 LEU 5 -8.456 -4.646 -3.093
46 H THR 6 HN THR 6 -7.978 -7.607 -1.119
47 HA THR 6 HA THR 6 -7.722 -8.565 1.536
48 HB THR 6 HB THR 6 -7.056 -10.696 0.344
49 HG1 THR 6 HG1 THR 6 -6.633 -10.588 -1.656
50 HG21 THR 6 HG21 THR 6 -9.318 -11.124 -0.536
51 HG22 THR 6 HG22 THR 6 -9.647 -9.392 -0.514
52 HG23 THR 6 HG23 THR 6 -9.383 -10.260 0.999
53 H THR 7 HN THR 7 -5.713 -9.732 2.225
54 HA THR 7 HA THR 7 -3.606 -7.845 1.964
55 HB THR 7 HB THR 7 -3.557 -10.470 3.473
56 HG1 THR 7 HG1 THR 7 -4.908 -8.076 3.816
57 HG21 THR 7 HG21 THR 7 -1.372 -9.294 3.264
58 HG22 THR 7 HG22 THR 7 -1.963 -9.274 4.923
59 HG23 THR 7 HG23 THR 7 -2.114 -7.833 3.916
60 H ASP 8 HN ASP 8 -4.379 -10.723 0.291
61 HA ASP 8 HA ASP 8 -1.681 -11.362 -0.489
62 HB2 ASP 8 HB2 ASP 8 -2.638 -13.015 -1.969
63 HB3 ASP 8 HB1 ASP 8 -3.538 -13.072 -0.459
64 H ASP 9 HN ASP 9 -4.250 -9.345 -1.614
65 HA ASP 9 HA ASP 9 -3.190 -8.865 -4.248
66 HB2 ASP 9 HB2 ASP 9 -5.629 -8.540 -3.510
67 HB3 ASP 9 HB1 ASP 9 -5.086 -7.091 -2.678
68 H LEU 10 HN LEU 10 -3.360 -7.158 -1.200
69 HA LEU 10 HA LEU 10 -1.823 -4.913 -1.736
70 HB2 LEU 10 HB2 LEU 10 -3.164 -5.210 0.295
71 HB3 LEU 10 HB1 LEU 10 -2.075 -6.466 0.844
72 HG LEU 10 HG LEU 10 -0.262 -4.764 0.994
73 HD11 LEU 10 HD11 LEU 10 -2.479 -2.807 0.430
74 HD12 LEU 10 HD12 LEU 10 -1.100 -3.154 -0.613
75 HD13 LEU 10 HD13 LEU 10 -0.849 -2.398 0.962
76 HD21 LEU 10 HD21 LEU 10 -1.115 -3.699 3.028
77 HD22 LEU 10 HD22 LEU 10 -1.537 -5.410 2.964
78 HD23 LEU 10 HD23 LEU 10 -2.753 -4.185 2.594
79 H ARG 11 HN ARG 11 -0.805 -8.102 -0.499
80 HA ARG 11 HA ARG 11 1.916 -7.613 -0.173
81 HB2 ARG 11 HB2 ARG 11 0.775 -9.684 0.591
82 HB3 ARG 11 HB1 ARG 11 0.623 -10.208 -1.078
83 HG2 ARG 11 HG2 ARG 11 3.079 -10.253 -1.267
84 HG3 ARG 11 HG1 ARG 11 3.203 -9.779 0.425
85 HD2 ARG 11 HD2 ARG 11 1.916 -12.305 -0.617
86 HD3 ARG 11 HD1 ARG 11 3.512 -12.192 0.118
87 HE ARG 11 HE ARG 11 1.161 -11.377 1.672
88 HH11 ARG 11 HH11 ARG 11 3.797 -13.718 1.183
89 HH12 ARG 11 HH12 ARG 11 3.566 -14.471 2.700
90 HH21 ARG 11 HH21 ARG 11 0.905 -12.413 3.732
91 HH22 ARG 11 HH22 ARG 11 1.936 -13.716 4.175
92 H ARG 12 HN ARG 12 0.304 -9.059 -2.993
93 HA ARG 12 HA ARG 12 2.490 -9.292 -4.670
94 HB2 ARG 12 HB2 ARG 12 -0.423 -8.941 -5.202
95 HB3 ARG 12 HB1 ARG 12 0.713 -8.923 -6.540
96 HG2 ARG 12 HG2 ARG 12 0.379 -11.168 -4.559
97 HG3 ARG 12 HG1 ARG 12 -0.272 -11.128 -6.202
98 HD2 ARG 12 HD2 ARG 12 2.665 -11.161 -5.406
99 HD3 ARG 12 HD1 ARG 12 1.752 -12.394 -6.287
100 HE ARG 12 HE ARG 12 1.534 -10.208 -7.847
101 HH11 ARG 12 HH11 ARG 12 4.237 -12.050 -6.477
102 HH12 ARG 12 HH12 ARG 12 5.378 -11.316 -7.490
103 HH21 ARG 12 HH21 ARG 12 3.154 -9.281 -9.277
104 HH22 ARG 12 HH22 ARG 12 4.799 -9.780 -9.080
105 H ALA 13 HN ALA 13 0.288 -6.528 -4.445
106 HA ALA 13 HA ALA 13 1.556 -5.081 -6.508
107 HB1 ALA 13 HB1 ALA 13 -0.177 -4.014 -4.271
108 HB2 ALA 13 HB2 ALA 13 -0.769 -4.642 -5.807
109 HB3 ALA 13 HB3 ALA 13 0.212 -3.180 -5.775
110 H LEU 14 HN LEU 14 1.956 -5.072 -3.006
111 HA LEU 14 HA LEU 14 3.699 -2.856 -2.873
112 HB2 LEU 14 HB2 LEU 14 2.472 -3.857 -0.953
113 HB3 LEU 14 HB1 LEU 14 3.551 -5.236 -1.026
114 HG LEU 14 HG LEU 14 5.452 -3.674 -0.601
115 HD11 LEU 14 HD11 LEU 14 4.393 -1.640 -1.370
116 HD12 LEU 14 HD12 LEU 14 4.955 -1.473 0.288
117 HD13 LEU 14 HD13 LEU 14 3.238 -1.721 -0.040
118 HD21 LEU 14 HD21 LEU 14 4.978 -3.447 1.795
119 HD22 LEU 14 HD22 LEU 14 4.519 -5.029 1.170
120 HD23 LEU 14 HD23 LEU 14 3.276 -3.813 1.488
121 H VAL 15 HN VAL 15 4.235 -6.327 -3.088
122 HA VAL 15 HA VAL 15 7.026 -6.392 -2.936
123 HB VAL 15 HB VAL 15 5.104 -8.258 -4.364
124 HG11 VAL 15 HG11 VAL 15 6.920 -9.907 -4.383
125 HG12 VAL 15 HG12 VAL 15 8.029 -8.696 -3.742
126 HG13 VAL 15 HG13 VAL 15 7.338 -8.492 -5.352
127 HG21 VAL 15 HG21 VAL 15 4.813 -8.139 -1.957
128 HG22 VAL 15 HG22 VAL 15 6.532 -8.461 -1.717
129 HG23 VAL 15 HG23 VAL 15 5.491 -9.696 -2.424
130 H GLU 16 HN GLU 16 4.928 -6.288 -5.823
131 HA GLU 16 HA GLU 16 7.207 -6.305 -7.488
132 HB2 GLU 16 HB2 GLU 16 5.753 -6.255 -9.340
133 HB3 GLU 16 HB1 GLU 16 5.002 -7.235 -8.090
134 HG2 GLU 16 HG2 GLU 16 3.499 -5.487 -7.533
135 HG3 GLU 16 HG1 GLU 16 4.272 -4.412 -8.704
136 H SER 17 HN SER 17 5.475 -3.730 -5.985
137 HA SER 17 HA SER 17 6.541 -1.755 -7.797
138 HB2 SER 17 HB2 SER 17 5.114 -1.384 -5.157
139 HB3 SER 17 HB1 SER 17 5.408 -0.139 -6.372
140 HG SER 17 HG SER 17 3.641 -2.259 -6.332
141 H ALA 18 HN ALA 18 7.729 -3.527 -5.253
142 HA ALA 18 HA ALA 18 9.377 -1.556 -3.974
143 HB1 ALA 18 HB1 ALA 18 10.312 -3.423 -2.747
144 HB2 ALA 18 HB2 ALA 18 9.572 -4.560 -3.869
145 HB3 ALA 18 HB3 ALA 18 8.554 -3.579 -2.818
146 H GLY 19 HN GLY 19 9.592 -2.779 -6.990
147 HA2 GLY 19 HA2 GLY 19 12.183 -1.934 -7.425
148 HA3 GLY 19 HA1 GLY 19 12.220 -3.683 -7.201
149 H GLU 20 HN GLU 20 12.736 -4.144 -9.231
150 HA GLU 20 HA GLU 20 10.991 -3.231 -11.395
151 HB2 GLU 20 HB2 GLU 20 13.394 -2.922 -11.667
152 HB3 GLU 20 HB1 GLU 20 13.663 -4.640 -11.422
153 HG2 GLU 20 HG2 GLU 20 12.238 -5.039 -13.455
154 HG3 GLU 20 HG1 GLU 20 12.300 -3.299 -13.737
155 H THR 21 HN THR 21 9.232 -4.585 -11.065
156 HA THR 21 HA THR 21 7.973 -6.429 -11.162
157 HB THR 21 HB THR 21 10.331 -7.502 -12.710
158 HG1 THR 21 HG1 THR 21 8.271 -5.721 -13.146
159 HG21 THR 21 HG21 THR 21 7.410 -8.353 -12.746
160 HG22 THR 21 HG22 THR 21 8.741 -9.297 -12.082
161 HG23 THR 21 HG23 THR 21 8.666 -8.978 -13.814
162 H ASP 22 HN ASP 22 8.090 -6.579 -9.049
163 HA ASP 22 HA ASP 22 8.175 -7.587 -7.040
164 HB2 ASP 22 HB2 ASP 22 9.369 -9.965 -8.542
165 HB3 ASP 22 HB1 ASP 22 8.972 -9.955 -6.830
166 H GLY 23 HN GLY 23 9.458 -6.062 -6.238
167 HA2 GLY 23 HA2 GLY 23 12.299 -6.056 -6.590
168 HA3 GLY 23 HA1 GLY 23 11.368 -5.019 -5.513
169 H THR 24 HN THR 24 10.313 -6.394 -3.657
170 HA THR 24 HA THR 24 12.049 -8.492 -2.756
171 HB THR 24 HB THR 24 13.056 -6.433 -1.770
172 HG1 THR 24 HG1 THR 24 13.404 -7.438 0.002
173 HG21 THR 24 HG21 THR 24 11.075 -4.974 -1.695
174 HG22 THR 24 HG22 THR 24 11.828 -5.086 -0.105
175 HG23 THR 24 HG23 THR 24 10.359 -6.001 -0.453
176 H ASP 25 HN ASP 25 10.826 -10.063 -1.963
177 HA ASP 25 HA ASP 25 7.962 -9.600 -1.967
178 HB2 ASP 25 HB2 ASP 25 9.055 -11.576 -3.085
179 HB3 ASP 25 HB1 ASP 25 9.423 -12.190 -1.479
180 H LEU 26 HN LEU 26 6.727 -9.431 -0.279
181 HA LEU 26 HA LEU 26 7.937 -9.506 2.348
182 HB2 LEU 26 HB2 LEU 26 5.266 -8.395 1.442
183 HB3 LEU 26 HB1 LEU 26 5.796 -8.421 3.103
184 HG LEU 26 HG LEU 26 6.071 -6.224 2.341
185 HD11 LEU 26 HD11 LEU 26 8.456 -5.804 2.510
186 HD12 LEU 26 HD12 LEU 26 8.757 -7.532 2.312
187 HD13 LEU 26 HD13 LEU 26 7.861 -6.945 3.718
188 HD21 LEU 26 HD21 LEU 26 5.978 -6.565 -0.065
189 HD22 LEU 26 HD22 LEU 26 7.587 -7.282 -0.047
190 HD23 LEU 26 HD23 LEU 26 7.376 -5.577 0.356
191 H SER 27 HN SER 27 7.998 -11.754 1.975
192 HA SER 27 HA SER 27 5.647 -13.327 2.134
193 HB2 SER 27 HB2 SER 27 7.390 -15.166 2.591
194 HB3 SER 27 HB1 SER 27 7.429 -14.332 1.033
195 HG SER 27 HG SER 27 8.934 -13.075 2.974
196 H GLY 28 HN GLY 28 4.537 -12.503 3.955
197 HA2 GLY 28 HA2 GLY 28 4.278 -13.961 6.125
198 HA3 GLY 28 HA1 GLY 28 5.678 -12.988 6.582
199 H ASP 29 HN ASP 29 4.128 -12.215 8.276
200 HA ASP 29 HA ASP 29 2.157 -10.369 7.272
201 HB2 ASP 29 HB2 ASP 29 1.636 -9.766 9.570
202 HB3 ASP 29 HB1 ASP 29 1.785 -11.510 9.489
203 H PHE 30 HN PHE 30 2.546 -8.492 6.578
204 HA PHE 30 HA PHE 30 5.110 -7.241 7.275
205 HB2 PHE 30 HB2 PHE 30 5.073 -6.270 4.987
206 HB3 PHE 30 HB1 PHE 30 5.157 -8.029 5.001
207 HD1 PHE 30 HD2 PHE 30 3.230 -9.370 4.273
208 HD2 PHE 30 HD1 PHE 30 3.147 -5.121 4.101
209 HE1 PHE 30 HE2 PHE 30 1.280 -9.471 2.790
210 HE2 PHE 30 HE1 PHE 30 1.194 -5.219 2.614
211 HZ PHE 30 HZ PHE 30 0.257 -7.393 1.957
212 H LEU 31 HN LEU 31 2.188 -6.920 8.246
213 HA LEU 31 HA LEU 31 1.412 -4.353 7.270
214 HB2 LEU 31 HB2 LEU 31 0.332 -5.989 9.565
215 HB3 LEU 31 HB1 LEU 31 -0.342 -4.457 9.066
216 HG LEU 31 HG LEU 31 -1.744 -6.142 8.213
217 HD11 LEU 31 HD11 LEU 31 -1.646 -5.841 5.797
218 HD12 LEU 31 HD12 LEU 31 -0.033 -5.148 5.962
219 HD13 LEU 31 HD13 LEU 31 -1.422 -4.335 6.690
220 HD21 LEU 31 HD21 LEU 31 -0.991 -7.982 6.750
221 HD22 LEU 31 HD22 LEU 31 -0.265 -8.077 8.355
222 HD23 LEU 31 HD23 LEU 31 0.681 -7.476 6.997
223 H ASP 32 HN ASP 32 3.133 -5.521 10.031
224 HA ASP 32 HA ASP 32 3.268 -2.845 11.236
225 HB2 ASP 32 HB2 ASP 32 4.346 -5.501 12.202
226 HB3 ASP 32 HB1 ASP 32 4.580 -3.976 13.045
227 H LEU 33 HN LEU 33 4.941 -4.593 8.960
228 HA LEU 33 HA LEU 33 7.605 -3.920 9.698
229 HB2 LEU 33 HB2 LEU 33 6.790 -5.965 8.383
230 HB3 LEU 33 HB1 LEU 33 6.498 -4.861 7.059
231 HG LEU 33 HG LEU 33 8.793 -4.353 6.877
232 HD11 LEU 33 HD11 LEU 33 9.192 -6.333 9.144
233 HD12 LEU 33 HD12 LEU 33 9.482 -4.594 9.229
234 HD13 LEU 33 HD13 LEU 33 10.490 -5.606 8.196
235 HD21 LEU 33 HD21 LEU 33 9.576 -6.557 6.110
236 HD22 LEU 33 HD22 LEU 33 7.908 -6.231 5.634
237 HD23 LEU 33 HD23 LEU 33 8.243 -7.314 6.986
238 H ARG 34 HN ARG 34 8.366 -1.963 9.432
239 HA ARG 34 HA ARG 34 6.725 0.010 8.136
240 HB2 ARG 34 HB2 ARG 34 9.335 0.352 9.588
241 HB3 ARG 34 HB1 ARG 34 8.273 1.652 9.059
242 HG2 ARG 34 HG2 ARG 34 6.500 0.759 10.511
243 HG3 ARG 34 HG1 ARG 34 7.622 -0.475 11.086
244 HD2 ARG 34 HD2 ARG 34 7.562 1.316 12.669
245 HD3 ARG 34 HD1 ARG 34 9.124 1.334 11.851
246 HE ARG 34 HE ARG 34 6.975 3.073 10.881
247 HH11 ARG 34 HH11 ARG 34 10.167 2.737 12.390
248 HH12 ARG 34 HH12 ARG 34 10.512 4.412 12.378
249 HH21 ARG 34 HH21 ARG 34 7.430 5.352 10.865
250 HH22 ARG 34 HH22 ARG 34 8.884 5.963 11.476
251 H PHE 35 HN PHE 35 7.161 1.266 6.483
252 HA PHE 35 HA PHE 35 8.557 0.168 4.367
253 HB2 PHE 35 HB2 PHE 35 7.351 2.877 4.756
254 HB3 PHE 35 HB1 PHE 35 8.149 2.446 3.249
255 HD1 PHE 35 HD2 PHE 35 7.412 -0.173 2.664
256 HD2 PHE 35 HD1 PHE 35 5.074 2.804 4.542
257 HE1 PHE 35 HE2 PHE 35 5.381 -1.318 1.923
258 HE2 PHE 35 HE1 PHE 35 3.026 1.667 3.810
259 HZ PHE 35 HZ PHE 35 3.177 -0.398 2.493
260 H GLU 36 HN GLU 36 9.576 2.890 6.411
261 HA GLU 36 HA GLU 36 11.929 3.340 4.982
262 HB2 GLU 36 HB2 GLU 36 12.802 4.476 6.991
263 HB3 GLU 36 HB1 GLU 36 11.195 5.007 6.535
264 HG2 GLU 36 HG2 GLU 36 10.227 3.712 8.332
265 HG3 GLU 36 HG1 GLU 36 11.816 3.067 8.752
266 H ASP 37 HN ASP 37 11.171 0.785 7.138
267 HA ASP 37 HA ASP 37 13.920 0.126 7.661
268 HB2 ASP 37 HB2 ASP 37 12.277 -0.471 9.352
269 HB3 ASP 37 HB1 ASP 37 11.394 -1.452 8.185
270 H ILE 38 HN ILE 38 11.354 -1.017 5.501
271 HA ILE 38 HA ILE 38 13.100 -3.061 4.439
272 HB ILE 38 HB ILE 38 11.251 -3.670 2.905
273 HG12 ILE 38 HG12 ILE 38 9.701 -1.466 4.300
274 HG13 ILE 38 HG11 ILE 38 10.251 -1.445 2.628
275 HG21 ILE 38 HG21 ILE 38 9.699 -4.480 4.656
276 HG22 ILE 38 HG22 ILE 38 10.473 -3.402 5.805
277 HG23 ILE 38 HG23 ILE 38 11.393 -4.719 5.082
278 HD11 ILE 38 HD11 ILE 38 7.874 -2.012 2.785
279 HD12 ILE 38 HD12 ILE 38 8.280 -3.401 3.792
280 HD13 ILE 38 HD13 ILE 38 8.818 -3.340 2.116
281 H GLY 39 HN GLY 39 13.574 -0.140 4.091
282 HA2 GLY 39 HA2 GLY 39 14.670 1.165 2.534
283 HA3 GLY 39 HA1 GLY 39 14.842 -0.295 1.562
284 H TYR 40 HN TYR 40 11.903 1.305 2.654
285 HA TYR 40 HA TYR 40 11.100 1.498 -0.146
286 HB2 TYR 40 HB2 TYR 40 9.824 0.415 2.082
287 HB3 TYR 40 HB1 TYR 40 9.061 1.977 1.821
288 HD1 TYR 40 HD1 TYR 40 10.023 -1.094 0.106
289 HD2 TYR 40 HD2 TYR 40 7.353 2.210 0.216
290 HE1 TYR 40 HE1 TYR 40 8.712 -2.110 -1.685
291 HE2 TYR 40 HE2 TYR 40 6.039 1.214 -1.594
292 HH TYR 40 HH TYR 40 6.418 -1.994 -2.643
293 H ASP 41 HN ASP 41 11.210 3.424 -0.925
294 HA ASP 41 HA ASP 41 10.927 5.745 0.825
295 HB2 ASP 41 HB2 ASP 41 11.878 5.429 -1.996
296 HB3 ASP 41 HB1 ASP 41 11.241 6.978 -1.471
297 H SER 42 HN SER 42 9.588 7.517 -0.037
298 HA SER 42 HA SER 42 6.955 6.689 -0.270
299 HB2 SER 42 HB2 SER 42 6.678 9.165 -0.877
300 HB3 SER 42 HB1 SER 42 7.317 8.767 0.723
301 H LEU 43 HN LEU 43 9.376 7.219 -2.679
302 HA LEU 43 HA LEU 43 7.772 7.727 -4.929
303 HB2 LEU 43 HB2 LEU 43 10.350 7.764 -4.704
304 HB3 LEU 43 HB1 LEU 43 10.289 6.041 -4.945
305 HG LEU 43 HG LEU 43 9.415 8.119 -6.975
306 HD11 LEU 43 HD11 LEU 43 11.430 7.470 -8.191
307 HD12 LEU 43 HD12 LEU 43 11.895 6.424 -6.851
308 HD13 LEU 43 HD13 LEU 43 11.796 8.169 -6.615
309 HD21 LEU 43 HD21 LEU 43 9.364 6.263 -8.590
310 HD22 LEU 43 HD22 LEU 43 8.216 5.980 -7.280
311 HD23 LEU 43 HD23 LEU 43 9.756 5.124 -7.301
312 H ALA 44 HN ALA 44 9.121 4.592 -3.821
313 HA ALA 44 HA ALA 44 7.462 3.036 -5.506
314 HB1 ALA 44 HB1 ALA 44 9.588 2.200 -4.594
315 HB2 ALA 44 HB2 ALA 44 8.251 1.114 -4.232
316 HB3 ALA 44 HB3 ALA 44 8.881 2.181 -2.978
317 H LEU 45 HN LEU 45 7.009 4.388 -2.351
318 HA LEU 45 HA LEU 45 4.797 2.788 -1.639
319 HB2 LEU 45 HB2 LEU 45 6.080 4.031 0.027
320 HB3 LEU 45 HB1 LEU 45 5.579 5.544 -0.691
321 HG LEU 45 HG LEU 45 3.311 5.229 0.067
322 HD11 LEU 45 HD11 LEU 45 3.158 2.800 -0.244
323 HD12 LEU 45 HD12 LEU 45 2.650 3.273 1.378
324 HD13 LEU 45 HD13 LEU 45 4.243 2.558 1.125
325 HD21 LEU 45 HD21 LEU 45 3.667 5.211 2.471
326 HD22 LEU 45 HD22 LEU 45 4.899 6.177 1.655
327 HD23 LEU 45 HD23 LEU 45 5.287 4.555 2.241
328 H MET 46 HN MET 46 5.037 5.973 -3.198
329 HA MET 46 HA MET 46 2.301 6.462 -3.643
330 HB2 MET 46 HB2 MET 46 4.677 7.125 -5.380
331 HB3 MET 46 HB1 MET 46 3.058 7.727 -5.657
332 HG2 MET 46 HG2 MET 46 4.780 8.264 -3.275
333 HG3 MET 46 HG1 MET 46 4.509 9.292 -4.689
334 HE1 MET 46 HE1 MET 46 1.357 8.816 -5.177
335 HE2 MET 46 HE2 MET 46 2.092 10.419 -5.228
336 HE3 MET 46 HE3 MET 46 0.648 10.144 -4.256
337 H GLU 47 HN GLU 47 4.727 4.889 -5.571
338 HA GLU 47 HA GLU 47 3.427 4.096 -7.827
339 HB2 GLU 47 HB2 GLU 47 5.742 3.889 -7.356
340 HB3 GLU 47 HB1 GLU 47 5.453 2.724 -6.100
341 HG2 GLU 47 HG2 GLU 47 6.292 1.527 -8.005
342 HG3 GLU 47 HG1 GLU 47 4.617 1.092 -7.728
343 H THR 48 HN THR 48 3.629 2.252 -4.796
344 HA THR 48 HA THR 48 1.861 0.183 -5.480
345 HB THR 48 HB THR 48 2.515 1.311 -2.737
346 HG1 THR 48 HG1 THR 48 4.482 0.691 -3.597
347 HG21 THR 48 HG21 THR 48 2.019 -0.969 -1.951
348 HG22 THR 48 HG22 THR 48 1.592 -1.445 -3.595
349 HG23 THR 48 HG23 THR 48 0.609 -0.255 -2.738
350 H ALA 49 HN ALA 49 1.341 3.061 -3.411
351 HA ALA 49 HA ALA 49 -1.324 2.681 -2.776
352 HB1 ALA 49 HB1 ALA 49 0.164 4.248 -1.629
353 HB2 ALA 49 HB2 ALA 49 -1.355 5.009 -2.114
354 HB3 ALA 49 HB3 ALA 49 0.117 5.309 -3.037
355 H ALA 50 HN ALA 50 -0.021 4.777 -5.348
356 HA ALA 50 HA ALA 50 -2.450 5.851 -6.201
357 HB1 ALA 50 HB1 ALA 50 -0.261 6.806 -6.746
358 HB2 ALA 50 HB2 ALA 50 -1.251 6.563 -8.184
359 HB3 ALA 50 HB3 ALA 50 0.061 5.441 -7.815
360 H ARG 51 HN ARG 51 -0.740 2.997 -7.217
361 HA ARG 51 HA ARG 51 -2.295 2.332 -9.467
362 HB2 ARG 51 HB2 ARG 51 -0.127 1.322 -9.010
363 HB3 ARG 51 HB1 ARG 51 -0.760 0.583 -7.553
364 HG2 ARG 51 HG2 ARG 51 -2.270 -0.784 -8.916
365 HG3 ARG 51 HG1 ARG 51 -1.579 -0.055 -10.376
366 HD2 ARG 51 HD2 ARG 51 0.601 -0.887 -9.793
367 HD3 ARG 51 HD1 ARG 51 -0.020 -1.528 -8.276
368 HE ARG 51 HE ARG 51 -1.340 -2.565 -10.599
369 HH11 ARG 51 HH11 ARG 51 1.362 -2.925 -8.350
370 HH12 ARG 51 HH12 ARG 51 1.616 -4.583 -8.785
371 HH21 ARG 51 HH21 ARG 51 -0.839 -4.847 -11.198
372 HH22 ARG 51 HH22 ARG 51 0.441 -5.623 -10.340
373 H LEU 52 HN LEU 52 -2.469 1.361 -6.078
374 HA LEU 52 HA LEU 52 -4.754 -0.272 -6.400
375 HB2 LEU 52 HB2 LEU 52 -3.576 0.986 -3.932
376 HB3 LEU 52 HB1 LEU 52 -4.890 -0.170 -3.912
377 HG LEU 52 HG LEU 52 -2.091 -0.713 -4.902
378 HD11 LEU 52 HD11 LEU 52 -1.913 -2.140 -2.927
379 HD12 LEU 52 HD12 LEU 52 -3.514 -1.614 -2.403
380 HD13 LEU 52 HD13 LEU 52 -2.186 -0.455 -2.488
381 HD21 LEU 52 HD21 LEU 52 -4.455 -2.569 -4.583
382 HD22 LEU 52 HD22 LEU 52 -2.821 -3.051 -5.038
383 HD23 LEU 52 HD23 LEU 52 -3.767 -2.022 -6.109
384 H GLU 53 HN GLU 53 -4.297 3.111 -5.484
385 HA GLU 53 HA GLU 53 -6.871 3.722 -4.699
386 HB2 GLU 53 HB2 GLU 53 -5.094 5.540 -6.321
387 HB3 GLU 53 HB1 GLU 53 -6.578 5.909 -5.461
388 HG2 GLU 53 HG2 GLU 53 -5.593 5.685 -3.397
389 HG3 GLU 53 HG1 GLU 53 -4.106 5.013 -4.077
390 H SER 54 HN SER 54 -5.403 4.286 -7.878
391 HA SER 54 HA SER 54 -7.770 5.158 -9.076
392 HB2 SER 54 HB2 SER 54 -5.240 4.163 -10.365
393 HB3 SER 54 HB1 SER 54 -6.466 5.200 -11.104
394 HG SER 54 HG SER 54 -5.978 6.811 -9.623
395 H ARG 55 HN ARG 55 -6.395 2.008 -8.676
396 HA ARG 55 HA ARG 55 -7.764 0.648 -10.728
397 HB2 ARG 55 HB2 ARG 55 -5.834 -0.265 -9.443
398 HB3 ARG 55 HB1 ARG 55 -6.862 -0.396 -8.031
399 HG2 ARG 55 HG2 ARG 55 -8.248 -2.038 -9.194
400 HG3 ARG 55 HG1 ARG 55 -7.214 -1.899 -10.618
401 HD2 ARG 55 HD2 ARG 55 -5.291 -2.661 -9.270
402 HD3 ARG 55 HD1 ARG 55 -6.354 -2.834 -7.874
403 HE ARG 55 HE ARG 55 -7.048 -4.295 -10.286
404 HH11 ARG 55 HH11 ARG 55 -5.592 -4.460 -7.016
405 HH12 ARG 55 HH12 ARG 55 -5.753 -6.117 -6.850
406 HH21 ARG 55 HH21 ARG 55 -7.231 -6.640 -10.067
407 HH22 ARG 55 HH22 ARG 55 -6.640 -7.413 -8.658
408 H TYR 56 HN TYR 56 -8.717 1.709 -7.518
409 HA TYR 56 HA TYR 56 -11.334 0.495 -7.992
410 HB2 TYR 56 HB2 TYR 56 -9.907 0.897 -5.377
411 HB3 TYR 56 HB1 TYR 56 -11.600 0.418 -5.513
412 HD1 TYR 56 HD1 TYR 56 -12.187 -1.752 -6.548
413 HD2 TYR 56 HD2 TYR 56 -8.151 -0.678 -5.749
414 HE1 TYR 56 HE1 TYR 56 -11.517 -4.097 -6.819
415 HE2 TYR 56 HE2 TYR 56 -7.468 -3.019 -6.020
416 HH TYR 56 HH TYR 56 -9.441 -5.318 -7.442
417 H GLY 57 HN GLY 57 -9.961 3.337 -8.211
418 HA2 GLY 57 HA2 GLY 57 -10.931 5.395 -8.547
419 HA3 GLY 57 HA1 GLY 57 -12.477 4.682 -8.134
420 H VAL 58 HN VAL 58 -9.809 4.519 -5.892
421 HA VAL 58 HA VAL 58 -11.345 6.320 -4.186
422 HB VAL 58 HB VAL 58 -10.160 5.494 -2.239
423 HG11 VAL 58 HG11 VAL 58 -12.018 4.128 -2.988
424 HG12 VAL 58 HG12 VAL 58 -10.728 3.137 -2.271
425 HG13 VAL 58 HG13 VAL 58 -10.904 3.216 -4.020
426 HG21 VAL 58 HG21 VAL 58 -8.558 3.797 -4.101
427 HG22 VAL 58 HG22 VAL 58 -8.424 3.810 -2.335
428 HG23 VAL 58 HG23 VAL 58 -7.937 5.229 -3.278
429 H SER 59 HN SER 59 -9.789 7.631 -2.597
430 HA SER 59 HA SER 59 -7.571 8.694 -4.174
431 HB2 SER 59 HB2 SER 59 -9.788 10.411 -3.049
432 HB3 SER 59 HB1 SER 59 -8.345 10.997 -3.878
433 HG SER 59 HG SER 59 -9.426 9.192 -5.446
434 H ILE 60 HN ILE 60 -5.886 8.573 -2.924
435 HA ILE 60 HA ILE 60 -6.068 9.381 -0.105
436 HB ILE 60 HB ILE 60 -4.164 7.411 -1.443
437 HG12 ILE 60 HG12 ILE 60 -6.264 6.995 0.701
438 HG13 ILE 60 HG11 ILE 60 -6.432 6.552 -0.989
439 HG21 ILE 60 HG21 ILE 60 -3.161 7.061 0.790
440 HG22 ILE 60 HG22 ILE 60 -4.191 8.327 1.448
441 HG23 ILE 60 HG23 ILE 60 -2.965 8.725 0.248
442 HD11 ILE 60 HD11 ILE 60 -4.625 4.935 -0.740
443 HD12 ILE 60 HD12 ILE 60 -5.944 4.646 0.400
444 HD13 ILE 60 HD13 ILE 60 -4.453 5.401 0.957
445 HA PRO 61 HA PRO 61 -3.882 12.858 -1.895
446 HB2 PRO 61 HB2 PRO 61 -3.488 13.532 0.973
447 HB3 PRO 61 HB1 PRO 61 -4.190 14.506 -0.321
448 HG2 PRO 61 HG2 PRO 61 -5.755 13.429 1.532
449 HG3 PRO 61 HG1 PRO 61 -6.263 13.463 -0.167
450 HD2 PRO 61 HD2 PRO 61 -5.116 11.202 1.425
451 HD3 PRO 61 HD1 PRO 61 -6.473 11.179 0.281
452 H ASP 62 HN ASP 62 -1.776 13.544 -2.107
453 HA ASP 62 HA ASP 62 0.233 11.643 -2.026
454 HB2 ASP 62 HB2 ASP 62 0.524 14.645 -2.179
455 HB3 ASP 62 HB1 ASP 62 1.830 13.510 -2.462
456 H ASP 63 HN ASP 63 -0.225 14.350 0.214
457 HA ASP 63 HA ASP 63 2.119 13.891 1.722
458 HB2 ASP 63 HB2 ASP 63 -0.462 15.253 2.507
459 HB3 ASP 63 HB1 ASP 63 0.932 15.162 3.567
460 H VAL 64 HN VAL 64 -1.146 12.750 2.094
461 HA VAL 64 HA VAL 64 -0.765 11.321 4.524
462 HB VAL 64 HB VAL 64 -2.771 10.737 2.315
463 HG11 VAL 64 HG11 VAL 64 -2.595 8.930 3.927
464 HG12 VAL 64 HG12 VAL 64 -4.141 9.762 4.101
465 HG13 VAL 64 HG13 VAL 64 -2.840 10.069 5.253
466 HG21 VAL 64 HG21 VAL 64 -3.056 12.560 4.700
467 HG22 VAL 64 HG22 VAL 64 -4.342 12.140 3.570
468 HG23 VAL 64 HG23 VAL 64 -2.946 13.062 3.015
469 H ALA 65 HN ALA 65 -0.774 10.337 1.116
470 HA ALA 65 HA ALA 65 -0.217 7.622 1.411
471 HB1 ALA 65 HB1 ALA 65 0.532 7.668 -0.895
472 HB2 ALA 65 HB2 ALA 65 0.675 9.420 -0.835
473 HB3 ALA 65 HB3 ALA 65 -0.917 8.660 -0.709
474 H GLY 66 HN GLY 66 1.997 10.362 1.264
475 HA2 GLY 66 HA2 GLY 66 4.334 8.713 1.317
476 HA3 GLY 66 HA1 GLY 66 4.283 10.449 1.591
477 H ARG 67 HN ARG 67 2.123 9.544 3.749
478 HA ARG 67 HA ARG 67 4.179 9.268 5.814
479 HB2 ARG 67 HB2 ARG 67 1.429 10.475 6.013
480 HB3 ARG 67 HB1 ARG 67 2.480 10.199 7.395
481 HG2 ARG 67 HG2 ARG 67 3.062 11.967 5.034
482 HG3 ARG 67 HG1 ARG 67 2.653 12.486 6.675
483 HD2 ARG 67 HD2 ARG 67 4.656 11.519 7.542
484 HD3 ARG 67 HD1 ARG 67 5.033 10.798 5.977
485 HE ARG 67 HE ARG 67 5.008 13.315 5.291
486 HH11 ARG 67 HH11 ARG 67 6.366 11.918 8.273
487 HH12 ARG 67 HH12 ARG 67 7.679 12.992 8.339
488 HH21 ARG 67 HH21 ARG 67 6.810 14.805 5.401
489 HH22 ARG 67 HH22 ARG 67 7.874 14.755 6.730
490 H VAL 68 HN VAL 68 2.128 7.290 4.283
491 HA VAL 68 HA VAL 68 1.377 5.861 6.670
492 HB VAL 68 HB VAL 68 0.405 4.120 5.088
493 HG11 VAL 68 HG11 VAL 68 -0.557 6.957 4.824
494 HG12 VAL 68 HG12 VAL 68 -0.948 5.829 6.124
495 HG13 VAL 68 HG13 VAL 68 -1.508 5.514 4.481
496 HG21 VAL 68 HG21 VAL 68 0.026 4.804 2.740
497 HG22 VAL 68 HG22 VAL 68 1.751 4.615 3.074
498 HG23 VAL 68 HG23 VAL 68 1.035 6.219 2.994
499 H ASP 69 HN ASP 69 3.457 5.576 7.484
500 HA ASP 69 HA ASP 69 5.546 4.311 6.118
501 HB2 ASP 69 HB2 ASP 69 6.632 4.148 8.241
502 HB3 ASP 69 HB1 ASP 69 5.909 5.748 8.076
503 H THR 70 HN THR 70 2.750 2.960 7.319
504 HA THR 70 HA THR 70 3.996 0.337 7.341
505 HB THR 70 HB THR 70 2.209 -0.210 9.119
506 HG1 THR 70 HG1 THR 70 0.962 1.458 9.611
507 HG21 THR 70 HG21 THR 70 4.463 1.701 9.727
508 HG22 THR 70 HG22 THR 70 4.601 -0.058 9.636
509 HG23 THR 70 HG23 THR 70 3.656 0.693 10.931
510 HA PRO 71 HA PRO 71 1.120 -0.586 4.097
511 HB2 PRO 71 HB2 PRO 71 1.216 -3.344 5.203
512 HB3 PRO 71 HB1 PRO 71 1.553 -2.775 3.560
513 HG2 PRO 71 HG2 PRO 71 3.545 -3.479 5.141
514 HG3 PRO 71 HG1 PRO 71 3.687 -2.033 4.121
515 HD2 PRO 71 HD2 PRO 71 3.087 -2.225 7.054
516 HD3 PRO 71 HD1 PRO 71 4.176 -1.111 6.197
517 H ARG 72 HN ARG 72 0.448 -1.601 7.386
518 HA ARG 72 HA ARG 72 -2.214 -2.451 7.042
519 HB2 ARG 72 HB2 ARG 72 -1.001 -2.902 9.110
520 HB3 ARG 72 HB1 ARG 72 -0.891 -1.181 9.445
521 HG2 ARG 72 HG2 ARG 72 -3.312 -1.060 9.725
522 HG3 ARG 72 HG1 ARG 72 -3.447 -2.777 9.342
523 HD2 ARG 72 HD2 ARG 72 -1.892 -1.633 11.654
524 HD3 ARG 72 HD1 ARG 72 -3.519 -2.302 11.765
525 HE ARG 72 HE ARG 72 -2.558 -4.420 10.973
526 HH11 ARG 72 HH11 ARG 72 -0.332 -2.061 12.451
527 HH12 ARG 72 HH12 ARG 72 0.682 -3.278 13.105
528 HH21 ARG 72 HH21 ARG 72 -1.092 -6.041 11.893
529 HH22 ARG 72 HH22 ARG 72 0.301 -5.507 12.733
530 H GLU 73 HN GLU 73 -0.810 0.687 7.704
531 HA GLU 73 HA GLU 73 -3.209 2.114 7.924
532 HB2 GLU 73 HB2 GLU 73 -0.337 2.809 7.528
533 HB3 GLU 73 HB1 GLU 73 -1.541 4.063 7.292
534 HG2 GLU 73 HG2 GLU 73 -0.452 3.916 9.575
535 HG3 GLU 73 HG1 GLU 73 -2.206 4.006 9.533
536 H LEU 74 HN LEU 74 -1.081 1.491 5.164
537 HA LEU 74 HA LEU 74 -2.451 3.102 3.283
538 HB2 LEU 74 HB2 LEU 74 -0.151 1.830 3.037
539 HB3 LEU 74 HB1 LEU 74 -1.174 0.473 2.592
540 HG LEU 74 HG LEU 74 -0.095 1.691 0.680
541 HD11 LEU 74 HD11 LEU 74 -1.963 0.206 0.292
542 HD12 LEU 74 HD12 LEU 74 -2.053 1.610 -0.773
543 HD13 LEU 74 HD13 LEU 74 -3.096 1.510 0.647
544 HD21 LEU 74 HD21 LEU 74 -1.174 3.756 -0.093
545 HD22 LEU 74 HD22 LEU 74 -0.355 3.958 1.455
546 HD23 LEU 74 HD23 LEU 74 -2.112 3.807 1.401
547 H LEU 75 HN LEU 75 -2.767 -0.330 4.113
548 HA LEU 75 HA LEU 75 -4.953 -0.885 2.444
549 HB2 LEU 75 HB2 LEU 75 -3.671 -2.704 3.308
550 HB3 LEU 75 HB1 LEU 75 -3.965 -2.216 4.962
551 HG LEU 75 HG LEU 75 -6.327 -2.883 4.746
552 HD11 LEU 75 HD11 LEU 75 -7.137 -4.119 2.823
553 HD12 LEU 75 HD12 LEU 75 -5.607 -3.864 1.985
554 HD13 LEU 75 HD13 LEU 75 -6.655 -2.493 2.364
555 HD21 LEU 75 HD21 LEU 75 -5.972 -5.302 4.639
556 HD22 LEU 75 HD22 LEU 75 -4.707 -4.499 5.574
557 HD23 LEU 75 HD23 LEU 75 -4.382 -5.033 3.926
558 H ASP 76 HN ASP 76 -4.757 0.479 5.654
559 HA ASP 76 HA ASP 76 -7.534 0.130 6.221
560 HB2 ASP 76 HB2 ASP 76 -5.898 0.269 8.040
561 HB3 ASP 76 HB1 ASP 76 -5.529 1.929 7.585
562 H LEU 77 HN LEU 77 -5.579 2.762 4.998
563 HA LEU 77 HA LEU 77 -7.547 4.743 4.935
564 HB2 LEU 77 HB2 LEU 77 -5.317 4.225 2.977
565 HB3 LEU 77 HB1 LEU 77 -6.304 5.665 2.986
566 HG LEU 77 HG LEU 77 -4.351 4.809 5.128
567 HD11 LEU 77 HD11 LEU 77 -3.141 6.784 4.413
568 HD12 LEU 77 HD12 LEU 77 -4.344 7.075 3.159
569 HD13 LEU 77 HD13 LEU 77 -3.333 5.632 3.092
570 HD21 LEU 77 HD21 LEU 77 -6.085 7.274 4.956
571 HD22 LEU 77 HD22 LEU 77 -4.857 6.950 6.179
572 HD23 LEU 77 HD23 LEU 77 -6.305 5.945 6.093
573 H ILE 78 HN ILE 78 -6.654 2.342 2.492
574 HA ILE 78 HA ILE 78 -8.799 3.095 0.762
575 HB ILE 78 HB ILE 78 -7.346 0.440 0.657
576 HG12 ILE 78 HG12 ILE 78 -6.507 3.087 -0.532
577 HG13 ILE 78 HG11 ILE 78 -5.641 2.155 0.685
578 HG21 ILE 78 HG21 ILE 78 -9.301 0.604 -0.760
579 HG22 ILE 78 HG22 ILE 78 -7.846 0.606 -1.757
580 HG23 ILE 78 HG23 ILE 78 -8.714 2.114 -1.457
581 HD11 ILE 78 HD11 ILE 78 -6.090 1.494 -2.187
582 HD12 ILE 78 HD12 ILE 78 -5.512 0.320 -1.005
583 HD13 ILE 78 HD13 ILE 78 -4.530 1.763 -1.367
584 H ASN 79 HN ASN 79 -8.436 0.965 3.410
585 HA ASN 79 HA ASN 79 -10.560 -0.846 3.012
586 HB2 ASN 79 HB2 ASN 79 -8.656 -0.403 4.958
587 HB3 ASN 79 HB1 ASN 79 -10.141 0.034 5.786
588 HD21 ASN 79 HD21 ASN 79 -8.362 -2.463 4.235
589 HD22 ASN 79 HD22 ASN 79 -9.242 -3.810 4.862
590 H GLY 80 HN GLY 80 -10.385 2.286 4.627
591 HA2 GLY 80 HA2 GLY 80 -13.175 2.392 5.223
592 HA3 GLY 80 HA1 GLY 80 -12.040 3.738 5.301
593 H ALA 81 HN ALA 81 -11.173 3.459 2.572
594 HA ALA 81 HA ALA 81 -13.104 5.183 1.392
595 HB1 ALA 81 HB1 ALA 81 -10.668 3.906 0.146
596 HB2 ALA 81 HB2 ALA 81 -10.695 5.444 1.001
597 HB3 ALA 81 HB3 ALA 81 -11.581 5.262 -0.515
598 H LEU 82 HN LEU 82 -12.090 1.860 0.786
599 HA LEU 82 HA LEU 82 -13.742 1.383 -1.452
600 HB2 LEU 82 HB2 LEU 82 -12.336 -0.424 0.467
601 HB3 LEU 82 HB1 LEU 82 -13.329 -1.044 -0.824
602 HG LEU 82 HG LEU 82 -10.767 0.552 -1.124
603 HD11 LEU 82 HD11 LEU 82 -11.488 -2.280 -1.804
604 HD12 LEU 82 HD12 LEU 82 -10.480 -1.758 -0.454
605 HD13 LEU 82 HD13 LEU 82 -9.943 -1.487 -2.111
606 HD21 LEU 82 HD21 LEU 82 -12.408 1.154 -2.844
607 HD22 LEU 82 HD22 LEU 82 -12.627 -0.555 -3.216
608 HD23 LEU 82 HD23 LEU 82 -11.067 0.218 -3.504
609 H ALA 83 HN ALA 83 -14.349 1.433 1.886
610 HA ALA 83 HA ALA 83 -16.598 -0.272 1.957
611 HB1 ALA 83 HB1 ALA 83 -17.121 0.822 4.082
612 HB2 ALA 83 HB2 ALA 83 -15.941 2.082 3.730
613 HB3 ALA 83 HB3 ALA 83 -15.407 0.422 3.986
614 H GLU 84 HN GLU 84 -16.074 2.984 0.944
615 HA GLU 84 HA GLU 84 -18.941 3.326 0.537
616 HB2 GLU 84 HB2 GLU 84 -16.701 5.336 0.520
617 HB3 GLU 84 HB1 GLU 84 -18.281 5.705 -0.138
618 HG2 GLU 84 HG2 GLU 84 -18.220 6.603 2.035
619 HG3 GLU 84 HG1 GLU 84 -19.236 5.175 2.114
620 H ALA 85 HN ALA 85 -15.862 3.607 -1.264
621 HA ALA 85 HA ALA 85 -17.455 3.340 -3.722
622 HB1 ALA 85 HB1 ALA 85 -14.957 4.965 -3.345
623 HB2 ALA 85 HB2 ALA 85 -16.598 5.607 -3.466
624 HB3 ALA 85 HB3 ALA 85 -15.868 4.777 -4.843
625 H ALA 86 HN ALA 86 -16.762 1.949 -5.194
626 HA ALA 86 HA ALA 86 -14.117 0.988 -5.428
627 HB1 ALA 86 HB1 ALA 86 -14.776 -0.425 -3.509
628 HB2 ALA 86 HB2 ALA 86 -14.589 -1.398 -4.968
629 HB3 ALA 86 HB3 ALA 86 -16.200 -0.962 -4.399
630 H28 SXM 87 H28A SXM 87 7.558 13.449 -1.247
631 H28A SXM 87 H28B SXM 87 6.757 12.583 -2.559
632 H30 SXM 87 H30A SXM 87 3.488 12.278 -0.872
633 H30A SXM 87 H30B SXM 87 4.781 11.079 -0.817
634 H30B SXM 87 H30C SXM 87 4.397 11.895 -2.334
635 H31 SXM 87 H31C SXM 87 6.274 14.038 0.827
636 H31A SXM 87 H31A SXM 87 5.840 12.338 1.044
637 H31B SXM 87 H31B SXM 87 4.579 13.573 0.972
638 H32 SXM 87 H32A SXM 87 5.808 15.202 -1.390
639 HO33 SXM 87 H33A SXM 87 3.109 14.939 -1.509
640 HN36 SXM 87 H36A SXM 87 3.617 16.041 -2.826
641 H37 SXM 87 H37B SXM 87 3.222 14.656 -5.271
642 H37A SXM 87 H37A SXM 87 4.415 15.946 -5.445
643 H38 SXM 87 H38A SXM 87 2.167 16.712 -6.051
644 H38A SXM 87 H38B SXM 87 1.578 16.265 -4.454
645 HN41 SXM 87 H41A SXM 87 0.883 18.493 -4.604
646 H42 SXM 87 H42A SXM 87 2.579 20.269 -3.087
647 H42A SXM 87 H42B SXM 87 2.208 20.819 -4.716
648 H43 SXM 87 H43A SXM 87 0.195 20.206 -2.563
649 H43A SXM 87 H43B SXM 87 -0.185 20.566 -4.250
650 H2 SXM 87 H2A SXM 87 -0.597 24.717 -2.823
651 H2A SXM 87 H2B SXM 87 -2.138 24.381 -2.030
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -19.756 -4.207 5.939
2 H2 MET 1 HT2 MET 1 -20.631 -4.264 4.479
3 H3 MET 1 HT3 MET 1 -19.460 -3.082 4.708
4 HA MET 1 HA MET 1 -17.728 -4.505 4.612
5 HB2 MET 1 HB2 MET 1 -18.007 -6.930 4.172
6 HB3 MET 1 HB1 MET 1 -18.648 -6.469 5.736
7 HG2 MET 1 HG2 MET 1 -20.923 -6.528 4.798
8 HG3 MET 1 HG1 MET 1 -20.245 -7.010 3.241
9 HE1 MET 1 HE1 MET 1 -20.837 -8.051 6.999
10 HE2 MET 1 HE2 MET 1 -19.085 -8.150 6.847
11 HE3 MET 1 HE3 MET 1 -20.036 -9.620 7.059
12 H ALA 2 HN ALA 2 -16.751 -4.546 2.712
13 HA ALA 2 HA ALA 2 -18.353 -4.606 0.262
14 HB1 ALA 2 HB1 ALA 2 -18.247 -2.248 0.922
15 HB2 ALA 2 HB2 ALA 2 -17.263 -2.536 -0.518
16 HB3 ALA 2 HB3 ALA 2 -16.491 -2.362 1.056
17 H THR 3 HN THR 3 -16.582 -4.255 -1.625
18 HA THR 3 HA THR 3 -14.643 -6.338 -1.280
19 HB THR 3 HB THR 3 -14.998 -4.344 -3.458
20 HG1 THR 3 HG1 THR 3 -16.409 -6.570 -2.716
21 HG21 THR 3 HG21 THR 3 -13.615 -7.034 -3.464
22 HG22 THR 3 HG22 THR 3 -12.827 -5.461 -3.572
23 HG23 THR 3 HG23 THR 3 -13.852 -6.029 -4.893
24 H LEU 4 HN LEU 4 -12.961 -5.871 -0.021
25 HA LEU 4 HA LEU 4 -11.689 -3.231 -0.253
26 HB2 LEU 4 HB2 LEU 4 -11.359 -5.272 1.948
27 HB3 LEU 4 HB1 LEU 4 -10.704 -3.651 1.918
28 HG LEU 4 HG LEU 4 -13.580 -4.439 2.190
29 HD11 LEU 4 HD11 LEU 4 -12.307 -4.781 4.207
30 HD12 LEU 4 HD12 LEU 4 -13.413 -3.419 4.391
31 HD13 LEU 4 HD13 LEU 4 -11.690 -3.127 4.126
32 HD21 LEU 4 HD21 LEU 4 -12.386 -1.672 2.123
33 HD22 LEU 4 HD22 LEU 4 -14.066 -2.058 2.498
34 HD23 LEU 4 HD23 LEU 4 -13.419 -2.388 0.890
35 H LEU 5 HN LEU 5 -9.262 -3.521 0.333
36 HA LEU 5 HA LEU 5 -8.169 -5.446 -1.507
37 HB2 LEU 5 HB2 LEU 5 -6.823 -3.371 0.267
38 HB3 LEU 5 HB1 LEU 5 -5.985 -4.453 -0.830
39 HG LEU 5 HG LEU 5 -7.929 -2.288 -1.548
40 HD11 LEU 5 HD11 LEU 5 -5.753 -1.506 -0.794
41 HD12 LEU 5 HD12 LEU 5 -5.949 -1.264 -2.530
42 HD13 LEU 5 HD13 LEU 5 -4.961 -2.596 -1.931
43 HD21 LEU 5 HD21 LEU 5 -7.329 -2.819 -3.843
44 HD22 LEU 5 HD22 LEU 5 -8.106 -4.187 -3.044
45 HD23 LEU 5 HD23 LEU 5 -6.358 -4.177 -3.275
46 H THR 6 HN THR 6 -7.182 -7.311 -0.915
47 HA THR 6 HA THR 6 -7.386 -8.055 1.855
48 HB THR 6 HB THR 6 -6.389 -10.214 1.085
49 HG1 THR 6 HG1 THR 6 -6.580 -9.129 -1.544
50 HG21 THR 6 HG21 THR 6 -8.714 -9.243 -0.598
51 HG22 THR 6 HG22 THR 6 -8.829 -9.938 1.020
52 HG23 THR 6 HG23 THR 6 -8.279 -10.930 -0.330
53 H THR 7 HN THR 7 -5.176 -9.382 2.517
54 HA THR 7 HA THR 7 -3.214 -7.333 2.633
55 HB THR 7 HB THR 7 -2.939 -10.231 3.506
56 HG1 THR 7 HG1 THR 7 -3.549 -8.985 5.618
57 HG21 THR 7 HG21 THR 7 -1.691 -7.663 4.498
58 HG22 THR 7 HG22 THR 7 -0.889 -8.869 3.495
59 HG23 THR 7 HG23 THR 7 -1.382 -9.278 5.141
60 H ASP 8 HN ASP 8 -4.009 -9.907 0.551
61 HA ASP 8 HA ASP 8 -1.356 -10.257 -0.515
62 HB2 ASP 8 HB2 ASP 8 -2.951 -12.157 -0.424
63 HB3 ASP 8 HB1 ASP 8 -3.984 -11.316 -1.572
64 H ASP 9 HN ASP 9 -4.395 -8.729 -1.503
65 HA ASP 9 HA ASP 9 -3.684 -7.675 -4.010
66 HB2 ASP 9 HB2 ASP 9 -5.364 -6.392 -1.837
67 HB3 ASP 9 HB1 ASP 9 -5.105 -5.646 -3.398
68 H LEU 10 HN LEU 10 -3.379 -6.256 -0.837
69 HA LEU 10 HA LEU 10 -2.030 -3.914 -1.452
70 HB2 LEU 10 HB2 LEU 10 -3.046 -4.384 0.716
71 HB3 LEU 10 HB1 LEU 10 -1.885 -5.658 1.006
72 HG LEU 10 HG LEU 10 -0.083 -3.928 1.028
73 HD11 LEU 10 HD11 LEU 10 -0.709 -1.593 1.307
74 HD12 LEU 10 HD12 LEU 10 -2.394 -2.012 0.993
75 HD13 LEU 10 HD13 LEU 10 -1.181 -2.214 -0.276
76 HD21 LEU 10 HD21 LEU 10 -1.019 -4.785 3.096
77 HD22 LEU 10 HD22 LEU 10 -2.315 -3.591 3.022
78 HD23 LEU 10 HD23 LEU 10 -0.645 -3.069 3.255
79 H ARG 11 HN ARG 11 -0.793 -7.103 -0.570
80 HA ARG 11 HA ARG 11 1.902 -6.411 -0.491
81 HB2 ARG 11 HB2 ARG 11 0.955 -8.417 0.539
82 HB3 ARG 11 HB1 ARG 11 0.729 -9.108 -1.063
83 HG2 ARG 11 HG2 ARG 11 3.106 -9.079 -1.450
84 HG3 ARG 11 HG1 ARG 11 3.366 -8.303 0.116
85 HD2 ARG 11 HD2 ARG 11 3.800 -10.686 0.225
86 HD3 ARG 11 HD1 ARG 11 2.432 -10.233 1.241
87 HE ARG 11 HE ARG 11 0.983 -11.093 -0.493
88 HH11 ARG 11 HH11 ARG 11 4.391 -12.071 -0.611
89 HH12 ARG 11 HH12 ARG 11 4.100 -13.551 -1.373
90 HH21 ARG 11 HH21 ARG 11 0.554 -13.059 -1.673
91 HH22 ARG 11 HH22 ARG 11 1.855 -14.100 -2.058
92 H ARG 12 HN ARG 12 0.181 -8.124 -3.170
93 HA ARG 12 HA ARG 12 2.596 -8.177 -4.634
94 HB2 ARG 12 HB2 ARG 12 -0.213 -8.809 -5.463
95 HB3 ARG 12 HB1 ARG 12 1.098 -8.805 -6.634
96 HG2 ARG 12 HG2 ARG 12 1.118 -10.431 -4.102
97 HG3 ARG 12 HG1 ARG 12 0.565 -11.041 -5.662
98 HD2 ARG 12 HD2 ARG 12 2.708 -10.790 -6.629
99 HD3 ARG 12 HD1 ARG 12 3.367 -9.896 -5.276
100 HE ARG 12 HE ARG 12 2.400 -12.511 -4.629
101 HH11 ARG 12 HH11 ARG 12 5.143 -10.769 -6.005
102 HH12 ARG 12 HH12 ARG 12 6.343 -11.789 -5.384
103 HH21 ARG 12 HH21 ARG 12 4.054 -13.967 -3.733
104 HH22 ARG 12 HH22 ARG 12 5.712 -13.555 -3.926
105 H ALA 13 HN ALA 13 0.078 -5.817 -4.580
106 HA ALA 13 HA ALA 13 1.024 -4.422 -6.875
107 HB1 ALA 13 HB1 ALA 13 -0.560 -3.385 -4.523
108 HB2 ALA 13 HB2 ALA 13 -1.233 -4.080 -5.997
109 HB3 ALA 13 HB3 ALA 13 -0.343 -2.560 -6.067
110 H LEU 14 HN LEU 14 1.749 -4.420 -3.485
111 HA LEU 14 HA LEU 14 3.409 -2.143 -3.290
112 HB2 LEU 14 HB2 LEU 14 2.336 -3.437 -1.442
113 HB3 LEU 14 HB1 LEU 14 3.451 -4.742 -1.755
114 HG LEU 14 HG LEU 14 5.289 -3.098 -1.192
115 HD11 LEU 14 HD11 LEU 14 2.939 -1.562 -0.117
116 HD12 LEU 14 HD12 LEU 14 3.998 -1.066 -1.438
117 HD13 LEU 14 HD13 LEU 14 4.638 -1.207 0.199
118 HD21 LEU 14 HD21 LEU 14 4.598 -4.900 0.263
119 HD22 LEU 14 HD22 LEU 14 3.294 -3.906 0.922
120 HD23 LEU 14 HD23 LEU 14 4.981 -3.464 1.209
121 H VAL 15 HN VAL 15 4.075 -5.582 -3.549
122 HA VAL 15 HA VAL 15 6.819 -5.694 -3.792
123 HB VAL 15 HB VAL 15 4.768 -7.454 -5.207
124 HG11 VAL 15 HG11 VAL 15 6.997 -7.776 -6.103
125 HG12 VAL 15 HG12 VAL 15 6.477 -9.177 -5.165
126 HG13 VAL 15 HG13 VAL 15 7.622 -8.025 -4.475
127 HG21 VAL 15 HG21 VAL 15 6.085 -7.796 -2.526
128 HG22 VAL 15 HG22 VAL 15 5.010 -8.956 -3.311
129 HG23 VAL 15 HG23 VAL 15 4.395 -7.382 -2.810
130 H GLU 16 HN GLU 16 4.452 -5.549 -6.451
131 HA GLU 16 HA GLU 16 6.379 -5.322 -8.493
132 HB2 GLU 16 HB2 GLU 16 3.450 -4.701 -8.441
133 HB3 GLU 16 HB1 GLU 16 4.430 -4.534 -9.891
134 HG2 GLU 16 HG2 GLU 16 4.002 -7.058 -8.316
135 HG3 GLU 16 HG1 GLU 16 3.257 -6.649 -9.863
136 H SER 17 HN SER 17 5.156 -2.910 -6.361
137 HA SER 17 HA SER 17 5.940 -0.815 -8.222
138 HB2 SER 17 HB2 SER 17 4.469 -0.604 -5.608
139 HB3 SER 17 HB1 SER 17 4.794 0.721 -6.724
140 HG SER 17 HG SER 17 3.095 -1.453 -6.939
141 H ALA 18 HN ALA 18 7.401 -2.578 -5.812
142 HA ALA 18 HA ALA 18 8.854 -0.569 -4.448
143 HB1 ALA 18 HB1 ALA 18 10.475 -2.342 -3.926
144 HB2 ALA 18 HB2 ALA 18 9.685 -3.399 -5.099
145 HB3 ALA 18 HB3 ALA 18 8.819 -2.882 -3.662
146 H GLY 19 HN GLY 19 9.363 -2.309 -7.393
147 HA2 GLY 19 HA2 GLY 19 10.281 -0.347 -8.974
148 HA3 GLY 19 HA1 GLY 19 11.728 -0.754 -8.057
149 H GLU 20 HN GLU 20 11.230 -3.448 -7.791
150 HA GLU 20 HA GLU 20 12.065 -4.325 -10.433
151 HB2 GLU 20 HB2 GLU 20 12.062 -5.743 -7.772
152 HB3 GLU 20 HB1 GLU 20 12.775 -6.342 -9.263
153 HG2 GLU 20 HG2 GLU 20 13.637 -3.899 -7.735
154 HG3 GLU 20 HG1 GLU 20 14.468 -5.454 -7.773
155 H THR 21 HN THR 21 11.203 -6.293 -11.306
156 HA THR 21 HA THR 21 8.427 -6.854 -10.868
157 HB THR 21 HB THR 21 10.590 -8.526 -12.221
158 HG1 THR 21 HG1 THR 21 9.273 -6.192 -12.956
159 HG21 THR 21 HG21 THR 21 8.716 -9.430 -13.531
160 HG22 THR 21 HG22 THR 21 7.592 -8.418 -12.626
161 HG23 THR 21 HG23 THR 21 8.470 -9.709 -11.806
162 H ASP 22 HN ASP 22 7.856 -7.806 -8.977
163 HA ASP 22 HA ASP 22 8.002 -8.668 -6.952
164 HB2 ASP 22 HB2 ASP 22 9.852 -10.598 -8.325
165 HB3 ASP 22 HB1 ASP 22 9.823 -10.514 -6.561
166 H GLY 23 HN GLY 23 8.698 -6.560 -6.467
167 HA2 GLY 23 HA2 GLY 23 11.471 -6.358 -5.626
168 HA3 GLY 23 HA1 GLY 23 10.323 -5.028 -5.876
169 H THR 24 HN THR 24 11.418 -7.446 -3.739
170 HA THR 24 HA THR 24 11.158 -7.792 -1.516
171 HB THR 24 HB THR 24 9.500 -5.226 -1.430
172 HG1 THR 24 HG1 THR 24 12.117 -5.639 -1.967
173 HG21 THR 24 HG21 THR 24 11.166 -6.627 0.681
174 HG22 THR 24 HG22 THR 24 9.404 -6.608 0.614
175 HG23 THR 24 HG23 THR 24 10.293 -5.110 0.905
176 H ASP 25 HN ASP 25 10.027 -9.600 -2.010
177 HA ASP 25 HA ASP 25 7.367 -9.980 -2.727
178 HB2 ASP 25 HB2 ASP 25 9.070 -11.728 -2.832
179 HB3 ASP 25 HB1 ASP 25 9.141 -11.792 -1.082
180 H LEU 26 HN LEU 26 8.668 -9.565 0.489
181 HA LEU 26 HA LEU 26 7.800 -9.584 2.572
182 HB2 LEU 26 HB2 LEU 26 5.330 -8.555 1.160
183 HB3 LEU 26 HB1 LEU 26 5.366 -8.806 2.881
184 HG LEU 26 HG LEU 26 5.665 -6.563 2.656
185 HD11 LEU 26 HD11 LEU 26 7.923 -6.018 3.324
186 HD12 LEU 26 HD12 LEU 26 8.430 -7.650 2.881
187 HD13 LEU 26 HD13 LEU 26 7.248 -7.409 4.173
188 HD21 LEU 26 HD21 LEU 26 5.970 -6.422 0.271
189 HD22 LEU 26 HD22 LEU 26 7.622 -7.020 0.425
190 HD23 LEU 26 HD23 LEU 26 7.185 -5.451 1.102
191 H SER 27 HN SER 27 8.077 -11.783 2.743
192 HA SER 27 HA SER 27 5.701 -13.397 2.305
193 HB2 SER 27 HB2 SER 27 8.462 -14.242 3.178
194 HB3 SER 27 HB1 SER 27 7.177 -15.290 2.573
195 HG SER 27 HG SER 27 7.493 -13.529 0.666
196 H GLY 28 HN GLY 28 4.316 -13.430 3.963
197 HA2 GLY 28 HA2 GLY 28 4.091 -14.482 6.209
198 HA3 GLY 28 HA1 GLY 28 5.441 -13.454 6.687
199 H ASP 29 HN ASP 29 4.159 -12.498 8.285
200 HA ASP 29 HA ASP 29 1.941 -10.838 7.363
201 HB2 ASP 29 HB2 ASP 29 2.928 -11.454 10.165
202 HB3 ASP 29 HB1 ASP 29 1.598 -10.357 9.813
203 H PHE 30 HN PHE 30 2.632 -9.085 6.444
204 HA PHE 30 HA PHE 30 5.114 -7.909 7.425
205 HB2 PHE 30 HB2 PHE 30 5.271 -6.747 5.282
206 HB3 PHE 30 HB1 PHE 30 5.123 -8.484 5.074
207 HD1 PHE 30 HD1 PHE 30 3.525 -5.236 4.593
208 HD2 PHE 30 HD2 PHE 30 3.124 -9.440 4.065
209 HE1 PHE 30 HE1 PHE 30 1.648 -4.857 3.060
210 HE2 PHE 30 HE2 PHE 30 1.240 -9.059 2.542
211 HZ PHE 30 HZ PHE 30 0.500 -6.769 2.035
212 H LEU 31 HN LEU 31 2.017 -7.357 8.203
213 HA LEU 31 HA LEU 31 1.909 -4.524 7.766
214 HB2 LEU 31 HB2 LEU 31 0.293 -6.236 9.677
215 HB3 LEU 31 HB1 LEU 31 0.010 -4.538 9.398
216 HG LEU 31 HG LEU 31 -1.654 -5.738 8.246
217 HD11 LEU 31 HD11 LEU 31 0.369 -4.848 6.232
218 HD12 LEU 31 HD12 LEU 31 -0.829 -3.838 7.043
219 HD13 LEU 31 HD13 LEU 31 -1.350 -5.103 5.926
220 HD21 LEU 31 HD21 LEU 31 -1.191 -7.439 6.537
221 HD22 LEU 31 HD22 LEU 31 -0.649 -7.910 8.148
222 HD23 LEU 31 HD23 LEU 31 0.525 -7.354 6.953
223 H ASP 32 HN ASP 32 3.324 -6.585 9.979
224 HA ASP 32 HA ASP 32 3.724 -4.796 12.180
225 HB2 ASP 32 HB2 ASP 32 3.816 -7.200 12.505
226 HB3 ASP 32 HB1 ASP 32 5.143 -7.336 11.362
227 H LEU 33 HN LEU 33 5.343 -5.462 9.194
228 HA LEU 33 HA LEU 33 7.809 -4.243 10.063
229 HB2 LEU 33 HB2 LEU 33 7.020 -5.562 7.466
230 HB3 LEU 33 HB1 LEU 33 8.548 -4.744 7.688
231 HG LEU 33 HG LEU 33 8.938 -7.068 7.868
232 HD11 LEU 33 HD11 LEU 33 10.226 -5.754 9.383
233 HD12 LEU 33 HD12 LEU 33 9.850 -7.318 10.111
234 HD13 LEU 33 HD13 LEU 33 8.972 -5.876 10.616
235 HD21 LEU 33 HD21 LEU 33 6.793 -7.209 9.992
236 HD22 LEU 33 HD22 LEU 33 7.833 -8.542 9.492
237 HD23 LEU 33 HD23 LEU 33 6.673 -7.850 8.354
238 H ARG 34 HN ARG 34 8.177 -2.223 9.886
239 HA ARG 34 HA ARG 34 6.425 -0.398 8.556
240 HB2 ARG 34 HB2 ARG 34 9.194 0.006 9.682
241 HB3 ARG 34 HB1 ARG 34 8.098 1.287 9.189
242 HG2 ARG 34 HG2 ARG 34 6.547 0.688 10.937
243 HG3 ARG 34 HG1 ARG 34 7.556 -0.691 11.392
244 HD2 ARG 34 HD2 ARG 34 7.904 1.227 12.880
245 HD3 ARG 34 HD1 ARG 34 9.370 0.811 11.989
246 HE ARG 34 HE ARG 34 7.690 2.821 10.790
247 HH11 ARG 34 HH11 ARG 34 10.531 2.192 12.807
248 HH12 ARG 34 HH12 ARG 34 11.168 3.767 12.656
249 HH21 ARG 34 HH21 ARG 34 8.518 4.899 10.551
250 HH22 ARG 34 HH22 ARG 34 9.945 5.413 11.351
251 H PHE 35 HN PHE 35 6.868 0.841 6.683
252 HA PHE 35 HA PHE 35 8.265 -0.482 4.649
253 HB2 PHE 35 HB2 PHE 35 7.158 2.312 4.823
254 HB3 PHE 35 HB1 PHE 35 7.964 1.707 3.379
255 HD1 PHE 35 HD2 PHE 35 7.043 -0.806 2.790
256 HD2 PHE 35 HD1 PHE 35 4.899 2.294 4.713
257 HE1 PHE 35 HE2 PHE 35 4.930 -1.826 2.069
258 HE2 PHE 35 HE1 PHE 35 2.790 1.286 4.006
259 HZ PHE 35 HZ PHE 35 2.827 -0.769 2.578
260 H GLU 36 HN GLU 36 9.181 1.991 6.839
261 HA GLU 36 HA GLU 36 11.584 2.947 5.832
262 HB2 GLU 36 HB2 GLU 36 10.959 2.236 8.699
263 HB3 GLU 36 HB1 GLU 36 12.176 3.374 8.152
264 HG2 GLU 36 HG2 GLU 36 9.220 3.697 7.708
265 HG3 GLU 36 HG1 GLU 36 10.111 4.400 9.051
266 H ASP 37 HN ASP 37 10.820 -0.079 7.417
267 HA ASP 37 HA ASP 37 13.578 -0.851 7.870
268 HB2 ASP 37 HB2 ASP 37 11.743 -1.384 9.475
269 HB3 ASP 37 HB1 ASP 37 11.046 -2.450 8.262
270 H ILE 38 HN ILE 38 10.888 -1.735 5.772
271 HA ILE 38 HA ILE 38 12.449 -3.872 4.599
272 HB ILE 38 HB ILE 38 10.427 -4.416 3.270
273 HG12 ILE 38 HG12 ILE 38 9.160 -2.180 4.889
274 HG13 ILE 38 HG11 ILE 38 9.456 -2.146 3.157
275 HG21 ILE 38 HG21 ILE 38 9.125 -5.239 5.186
276 HG22 ILE 38 HG22 ILE 38 10.054 -4.177 6.248
277 HG23 ILE 38 HG23 ILE 38 10.859 -5.493 5.397
278 HD11 ILE 38 HD11 ILE 38 7.591 -4.014 4.603
279 HD12 ILE 38 HD12 ILE 38 7.871 -3.986 2.861
280 HD13 ILE 38 HD13 ILE 38 7.125 -2.599 3.659
281 H GLY 39 HN GLY 39 13.014 -0.978 4.117
282 HA2 GLY 39 HA2 GLY 39 14.111 0.119 2.413
283 HA3 GLY 39 HA1 GLY 39 13.974 -1.352 1.468
284 H TYR 40 HN TYR 40 11.458 0.787 2.795
285 HA TYR 40 HA TYR 40 10.652 1.358 0.051
286 HB2 TYR 40 HB2 TYR 40 9.078 0.532 2.405
287 HB3 TYR 40 HB1 TYR 40 8.385 1.739 1.341
288 HD1 TYR 40 HD1 TYR 40 9.962 -1.601 1.328
289 HD2 TYR 40 HD2 TYR 40 7.190 1.031 -0.514
290 HE1 TYR 40 HE1 TYR 40 9.238 -3.415 -0.111
291 HE2 TYR 40 HE2 TYR 40 6.441 -0.765 -1.993
292 HH TYR 40 HH TYR 40 7.326 -4.053 -1.565
293 H ASP 41 HN ASP 41 11.070 3.358 -0.345
294 HA ASP 41 HA ASP 41 10.719 5.361 1.745
295 HB2 ASP 41 HB2 ASP 41 11.883 6.860 0.273
296 HB3 ASP 41 HB1 ASP 41 12.779 5.344 0.233
297 H SER 42 HN SER 42 9.626 7.421 0.643
298 HA SER 42 HA SER 42 7.049 6.489 0.087
299 HB2 SER 42 HB2 SER 42 6.870 9.207 -0.334
300 HB3 SER 42 HB1 SER 42 6.602 8.355 1.190
301 H LEU 43 HN LEU 43 9.539 7.147 -2.189
302 HA LEU 43 HA LEU 43 7.803 7.974 -4.303
303 HB2 LEU 43 HB2 LEU 43 10.315 8.287 -4.259
304 HB3 LEU 43 HB1 LEU 43 10.494 6.570 -4.496
305 HG LEU 43 HG LEU 43 10.935 7.944 -6.523
306 HD11 LEU 43 HD11 LEU 43 8.616 6.056 -6.840
307 HD12 LEU 43 HD12 LEU 43 10.325 5.627 -6.836
308 HD13 LEU 43 HD13 LEU 43 9.670 6.627 -8.134
309 HD21 LEU 43 HD21 LEU 43 7.995 8.557 -6.387
310 HD22 LEU 43 HD22 LEU 43 9.060 8.940 -7.743
311 HD23 LEU 43 HD23 LEU 43 9.320 9.701 -6.173
312 H ALA 44 HN ALA 44 9.272 4.855 -3.449
313 HA ALA 44 HA ALA 44 7.782 3.370 -5.370
314 HB1 ALA 44 HB1 ALA 44 8.617 1.376 -4.235
315 HB2 ALA 44 HB2 ALA 44 9.131 2.349 -2.857
316 HB3 ALA 44 HB3 ALA 44 9.911 2.554 -4.428
317 H LEU 45 HN LEU 45 7.183 4.437 -2.161
318 HA LEU 45 HA LEU 45 5.027 2.724 -1.575
319 HB2 LEU 45 HB2 LEU 45 6.291 3.939 0.134
320 HB3 LEU 45 HB1 LEU 45 5.695 5.460 -0.492
321 HG LEU 45 HG LEU 45 3.441 4.903 0.230
322 HD11 LEU 45 HD11 LEU 45 4.686 2.367 1.292
323 HD12 LEU 45 HD12 LEU 45 3.562 2.480 -0.062
324 HD13 LEU 45 HD13 LEU 45 3.028 2.900 1.566
325 HD21 LEU 45 HD21 LEU 45 4.935 6.054 1.769
326 HD22 LEU 45 HD22 LEU 45 5.524 4.506 2.376
327 HD23 LEU 45 HD23 LEU 45 3.845 4.977 2.643
328 H MET 46 HN MET 46 5.201 6.064 -2.887
329 HA MET 46 HA MET 46 2.466 6.585 -3.282
330 HB2 MET 46 HB2 MET 46 4.830 7.406 -4.975
331 HB3 MET 46 HB1 MET 46 3.203 8.005 -5.220
332 HG2 MET 46 HG2 MET 46 4.894 8.396 -2.780
333 HG3 MET 46 HG1 MET 46 4.609 9.549 -4.089
334 HE1 MET 46 HE1 MET 46 2.192 10.621 -4.593
335 HE2 MET 46 HE2 MET 46 0.741 10.226 -3.670
336 HE3 MET 46 HE3 MET 46 1.500 9.000 -4.687
337 H GLU 47 HN GLU 47 4.858 5.146 -5.351
338 HA GLU 47 HA GLU 47 3.407 4.646 -7.632
339 HB2 GLU 47 HB2 GLU 47 5.828 4.521 -7.285
340 HB3 GLU 47 HB1 GLU 47 5.632 3.035 -6.388
341 HG2 GLU 47 HG2 GLU 47 6.394 2.612 -8.681
342 HG3 GLU 47 HG1 GLU 47 4.827 1.877 -8.356
343 H THR 48 HN THR 48 3.668 2.761 -4.678
344 HA THR 48 HA THR 48 2.135 0.513 -5.494
345 HB THR 48 HB THR 48 2.665 1.655 -2.739
346 HG1 THR 48 HG1 THR 48 4.592 1.028 -3.814
347 HG21 THR 48 HG21 THR 48 1.712 -1.096 -3.562
348 HG22 THR 48 HG22 THR 48 0.745 0.134 -2.747
349 HG23 THR 48 HG23 THR 48 2.116 -0.598 -1.919
350 H ALA 49 HN ALA 49 1.364 3.266 -3.351
351 HA ALA 49 HA ALA 49 -1.292 2.685 -2.849
352 HB1 ALA 49 HB1 ALA 49 -1.520 5.001 -2.142
353 HB2 ALA 49 HB2 ALA 49 -0.030 5.418 -2.985
354 HB3 ALA 49 HB3 ALA 49 0.019 4.336 -1.595
355 H ALA 50 HN ALA 50 0.016 4.862 -5.340
356 HA ALA 50 HA ALA 50 -2.400 5.724 -6.417
357 HB1 ALA 50 HB1 ALA 50 0.225 5.369 -7.861
358 HB2 ALA 50 HB2 ALA 50 -0.235 6.772 -6.896
359 HB3 ALA 50 HB3 ALA 50 -1.117 6.391 -8.374
360 H ARG 51 HN ARG 51 -0.510 2.899 -7.117
361 HA ARG 51 HA ARG 51 -1.844 2.038 -9.456
362 HB2 ARG 51 HB2 ARG 51 0.401 1.312 -8.789
363 HB3 ARG 51 HB1 ARG 51 -0.265 0.515 -7.382
364 HG2 ARG 51 HG2 ARG 51 -1.356 -1.115 -8.779
365 HG3 ARG 51 HG1 ARG 51 -0.816 -0.265 -10.235
366 HD2 ARG 51 HD2 ARG 51 1.501 -0.626 -9.618
367 HD3 ARG 51 HD1 ARG 51 1.004 -1.411 -8.126
368 HE ARG 51 HE ARG 51 -0.137 -3.028 -9.727
369 HH11 ARG 51 HH11 ARG 51 2.987 -1.420 -10.381
370 HH12 ARG 51 HH12 ARG 51 3.639 -2.711 -11.261
371 HH21 ARG 51 HH21 ARG 51 0.762 -4.811 -11.014
372 HH22 ARG 51 HH22 ARG 51 2.339 -4.674 -11.648
373 H LEU 52 HN LEU 52 -2.285 1.372 -6.039
374 HA LEU 52 HA LEU 52 -4.398 -0.504 -6.405
375 HB2 LEU 52 HB2 LEU 52 -3.436 1.028 -4.005
376 HB3 LEU 52 HB1 LEU 52 -4.779 -0.092 -3.935
377 HG LEU 52 HG LEU 52 -2.002 -0.873 -4.809
378 HD11 LEU 52 HD11 LEU 52 -1.982 -0.158 -2.475
379 HD12 LEU 52 HD12 LEU 52 -1.803 -1.911 -2.601
380 HD13 LEU 52 HD13 LEU 52 -3.351 -1.214 -2.132
381 HD21 LEU 52 HD21 LEU 52 -3.805 -2.295 -5.680
382 HD22 LEU 52 HD22 LEU 52 -4.434 -2.500 -4.048
383 HD23 LEU 52 HD23 LEU 52 -2.851 -3.150 -4.467
384 H GLU 53 HN GLU 53 -4.280 2.959 -5.624
385 HA GLU 53 HA GLU 53 -6.964 3.423 -5.121
386 HB2 GLU 53 HB2 GLU 53 -5.245 5.313 -6.689
387 HB3 GLU 53 HB1 GLU 53 -6.699 5.620 -5.773
388 HG2 GLU 53 HG2 GLU 53 -5.609 5.345 -3.717
389 HG3 GLU 53 HG1 GLU 53 -4.128 4.783 -4.516
390 H SER 54 HN SER 54 -5.255 3.737 -8.210
391 HA SER 54 HA SER 54 -7.459 4.553 -9.686
392 HB2 SER 54 HB2 SER 54 -4.894 3.270 -10.612
393 HB3 SER 54 HB1 SER 54 -6.015 4.206 -11.611
394 HG SER 54 HG SER 54 -4.144 5.358 -10.706
395 H ARG 55 HN ARG 55 -6.493 1.360 -8.765
396 HA ARG 55 HA ARG 55 -8.021 0.219 -10.946
397 HB2 ARG 55 HB2 ARG 55 -5.867 -0.815 -10.216
398 HB3 ARG 55 HB1 ARG 55 -6.646 -1.265 -8.704
399 HG2 ARG 55 HG2 ARG 55 -8.261 -2.608 -9.926
400 HG3 ARG 55 HG1 ARG 55 -7.506 -2.138 -11.446
401 HD2 ARG 55 HD2 ARG 55 -5.394 -3.193 -10.637
402 HD3 ARG 55 HD1 ARG 55 -6.289 -3.775 -9.230
403 HE ARG 55 HE ARG 55 -7.597 -4.448 -11.638
404 HH11 ARG 55 HH11 ARG 55 -4.906 -5.495 -9.566
405 HH12 ARG 55 HH12 ARG 55 -4.918 -7.093 -10.141
406 HH21 ARG 55 HH21 ARG 55 -7.529 -6.643 -12.488
407 HH22 ARG 55 HH22 ARG 55 -6.455 -7.767 -11.841
408 H TYR 56 HN TYR 56 -8.235 0.464 -7.421
409 HA TYR 56 HA TYR 56 -10.760 -0.948 -7.590
410 HB2 TYR 56 HB2 TYR 56 -8.979 -0.363 -5.251
411 HB3 TYR 56 HB1 TYR 56 -10.632 -0.936 -5.034
412 HD1 TYR 56 HD2 TYR 56 -7.296 -1.782 -6.259
413 HD2 TYR 56 HD1 TYR 56 -11.249 -3.211 -5.636
414 HE1 TYR 56 HE2 TYR 56 -6.492 -4.076 -6.579
415 HE2 TYR 56 HE1 TYR 56 -10.464 -5.537 -5.940
416 HH TYR 56 HH TYR 56 -8.415 -6.648 -7.192
417 H GLY 57 HN GLY 57 -9.795 2.228 -7.530
418 HA2 GLY 57 HA2 GLY 57 -11.270 3.978 -7.870
419 HA3 GLY 57 HA1 GLY 57 -12.576 2.975 -7.268
420 H VAL 58 HN VAL 58 -9.502 4.115 -5.885
421 HA VAL 58 HA VAL 58 -11.091 5.456 -3.844
422 HB VAL 58 HB VAL 58 -9.552 4.867 -2.018
423 HG11 VAL 58 HG11 VAL 58 -10.587 2.484 -3.462
424 HG12 VAL 58 HG12 VAL 58 -11.497 3.501 -2.332
425 HG13 VAL 58 HG13 VAL 58 -10.128 2.525 -1.761
426 HG21 VAL 58 HG21 VAL 58 -7.536 4.475 -3.384
427 HG22 VAL 58 HG22 VAL 58 -8.265 2.937 -3.913
428 HG23 VAL 58 HG23 VAL 58 -7.861 3.188 -2.223
429 H SER 59 HN SER 59 -9.524 6.882 -2.444
430 HA SER 59 HA SER 59 -7.445 7.976 -4.088
431 HB2 SER 59 HB2 SER 59 -9.829 9.574 -3.135
432 HB3 SER 59 HB1 SER 59 -8.344 10.292 -3.769
433 HG SER 59 HG SER 59 -8.819 8.677 -5.572
434 H ILE 60 HN ILE 60 -5.788 8.067 -2.929
435 HA ILE 60 HA ILE 60 -5.915 8.700 -0.051
436 HB ILE 60 HB ILE 60 -3.690 7.239 -1.542
437 HG12 ILE 60 HG12 ILE 60 -5.665 5.803 -1.619
438 HG13 ILE 60 HG11 ILE 60 -4.482 5.132 -0.505
439 HG21 ILE 60 HG21 ILE 60 -4.188 7.508 1.426
440 HG22 ILE 60 HG22 ILE 60 -2.939 8.329 0.496
441 HG23 ILE 60 HG23 ILE 60 -2.874 6.587 0.694
442 HD11 ILE 60 HD11 ILE 60 -6.964 6.663 0.243
443 HD12 ILE 60 HD12 ILE 60 -5.783 5.994 1.376
444 HD13 ILE 60 HD13 ILE 60 -6.732 4.916 0.349
445 HA PRO 61 HA PRO 61 -4.278 12.563 -1.825
446 HB2 PRO 61 HB2 PRO 61 -3.518 12.897 1.046
447 HB3 PRO 61 HB1 PRO 61 -4.325 14.039 -0.035
448 HG2 PRO 61 HG2 PRO 61 -5.716 12.731 1.806
449 HG3 PRO 61 HG1 PRO 61 -6.387 12.996 0.184
450 HD2 PRO 61 HD2 PRO 61 -5.267 10.507 1.390
451 HD3 PRO 61 HD1 PRO 61 -6.599 10.701 0.237
452 H ASP 62 HN ASP 62 -2.294 13.139 -2.495
453 HA ASP 62 HA ASP 62 -0.235 11.297 -2.679
454 HB2 ASP 62 HB2 ASP 62 0.115 14.291 -2.876
455 HB3 ASP 62 HB1 ASP 62 1.231 13.085 -3.493
456 H ASP 63 HN ASP 63 -0.349 14.078 -0.501
457 HA ASP 63 HA ASP 63 2.246 13.526 0.578
458 HB2 ASP 63 HB2 ASP 63 1.245 15.806 0.491
459 HB3 ASP 63 HB1 ASP 63 0.093 15.312 1.723
460 H VAL 64 HN VAL 64 -0.846 12.349 1.229
461 HA VAL 64 HA VAL 64 -0.235 11.421 3.922
462 HB VAL 64 HB VAL 64 -2.668 10.925 2.158
463 HG11 VAL 64 HG11 VAL 64 -2.381 9.136 3.801
464 HG12 VAL 64 HG12 VAL 64 -3.776 10.139 4.193
465 HG13 VAL 64 HG13 VAL 64 -2.271 10.331 5.094
466 HG21 VAL 64 HG21 VAL 64 -2.281 12.806 4.481
467 HG22 VAL 64 HG22 VAL 64 -3.803 12.522 3.630
468 HG23 VAL 64 HG23 VAL 64 -2.442 13.257 2.785
469 H ALA 65 HN ALA 65 -0.741 10.149 0.671
470 HA ALA 65 HA ALA 65 -0.450 7.420 1.160
471 HB1 ALA 65 HB1 ALA 65 0.023 7.222 -1.224
472 HB2 ALA 65 HB2 ALA 65 0.310 8.959 -1.322
473 HB3 ALA 65 HB3 ALA 65 -1.304 8.353 -0.943
474 H GLY 66 HN GLY 66 1.936 9.930 0.614
475 HA2 GLY 66 HA2 GLY 66 4.126 8.084 0.559
476 HA3 GLY 66 HA1 GLY 66 4.239 9.836 0.658
477 H ARG 67 HN ARG 67 2.183 8.998 3.092
478 HA ARG 67 HA ARG 67 4.416 8.811 4.985
479 HB2 ARG 67 HB2 ARG 67 1.859 10.373 5.268
480 HB3 ARG 67 HB1 ARG 67 2.950 10.051 6.601
481 HG2 ARG 67 HG2 ARG 67 3.709 11.543 4.096
482 HG3 ARG 67 HG1 ARG 67 3.202 12.303 5.599
483 HD2 ARG 67 HD2 ARG 67 5.585 12.369 5.494
484 HD3 ARG 67 HD1 ARG 67 5.129 11.197 6.728
485 HE ARG 67 HE ARG 67 5.531 9.985 4.192
486 HH11 ARG 67 HH11 ARG 67 7.386 11.312 6.894
487 HH12 ARG 67 HH12 ARG 67 8.715 10.253 6.701
488 HH21 ARG 67 HH21 ARG 67 7.267 8.580 3.892
489 HH22 ARG 67 HH22 ARG 67 8.641 8.604 4.896
490 H VAL 68 HN VAL 68 2.292 6.845 3.770
491 HA VAL 68 HA VAL 68 1.261 5.806 6.243
492 HB VAL 68 HB VAL 68 0.408 3.851 4.827
493 HG11 VAL 68 HG11 VAL 68 -0.377 6.631 3.977
494 HG12 VAL 68 HG12 VAL 68 -0.991 5.749 5.374
495 HG13 VAL 68 HG13 VAL 68 -1.344 5.174 3.744
496 HG21 VAL 68 HG21 VAL 68 0.349 4.174 2.375
497 HG22 VAL 68 HG22 VAL 68 2.007 3.959 2.939
498 HG23 VAL 68 HG23 VAL 68 1.404 5.565 2.538
499 H ASP 69 HN ASP 69 3.163 5.679 7.306
500 HA ASP 69 HA ASP 69 5.573 4.498 6.693
501 HB2 ASP 69 HB2 ASP 69 5.093 5.907 8.664
502 HB3 ASP 69 HB1 ASP 69 4.250 4.552 9.390
503 H THR 70 HN THR 70 2.798 2.939 8.205
504 HA THR 70 HA THR 70 4.160 0.383 7.770
505 HB THR 70 HB THR 70 2.536 -0.583 9.396
506 HG1 THR 70 HG1 THR 70 1.730 2.143 9.674
507 HG21 THR 70 HG21 THR 70 4.031 1.831 10.411
508 HG22 THR 70 HG22 THR 70 4.698 0.208 10.216
509 HG23 THR 70 HG23 THR 70 3.438 0.509 11.416
510 HA PRO 71 HA PRO 71 1.393 -0.592 4.457
511 HB2 PRO 71 HB2 PRO 71 1.181 -3.334 5.563
512 HB3 PRO 71 HB1 PRO 71 1.764 -2.813 3.980
513 HG2 PRO 71 HG2 PRO 71 3.459 -3.695 5.841
514 HG3 PRO 71 HG1 PRO 71 3.896 -2.355 4.767
515 HD2 PRO 71 HD2 PRO 71 3.016 -2.288 7.622
516 HD3 PRO 71 HD1 PRO 71 4.261 -1.324 6.804
517 H ARG 72 HN ARG 72 0.643 -1.367 7.680
518 HA ARG 72 HA ARG 72 -2.036 -2.170 7.574
519 HB2 ARG 72 HB2 ARG 72 -0.560 -2.363 9.537
520 HB3 ARG 72 HB1 ARG 72 -0.551 -0.619 9.701
521 HG2 ARG 72 HG2 ARG 72 -2.967 -0.678 10.161
522 HG3 ARG 72 HG1 ARG 72 -2.919 -2.441 10.045
523 HD2 ARG 72 HD2 ARG 72 -1.327 -0.770 11.990
524 HD3 ARG 72 HD1 ARG 72 -2.806 -1.650 12.376
525 HE ARG 72 HE ARG 72 -1.556 -3.691 11.742
526 HH11 ARG 72 HH11 ARG 72 0.295 -0.824 12.834
527 HH12 ARG 72 HH12 ARG 72 1.532 -1.767 13.563
528 HH21 ARG 72 HH21 ARG 72 0.165 -4.923 12.836
529 HH22 ARG 72 HH22 ARG 72 1.461 -4.091 13.559
530 H GLU 73 HN GLU 73 -0.503 1.010 7.762
531 HA GLU 73 HA GLU 73 -2.871 2.520 8.070
532 HB2 GLU 73 HB2 GLU 73 -0.124 3.301 7.091
533 HB3 GLU 73 HB1 GLU 73 -1.405 4.446 7.474
534 HG2 GLU 73 HG2 GLU 73 -1.414 3.778 9.758
535 HG3 GLU 73 HG1 GLU 73 -0.299 2.458 9.420
536 H LEU 74 HN LEU 74 -0.959 1.595 5.258
537 HA LEU 74 HA LEU 74 -2.318 3.159 3.320
538 HB2 LEU 74 HB2 LEU 74 -0.081 1.667 3.196
539 HB3 LEU 74 HB1 LEU 74 -1.226 0.464 2.639
540 HG LEU 74 HG LEU 74 -0.756 3.105 1.256
541 HD11 LEU 74 HD11 LEU 74 0.270 0.357 0.588
542 HD12 LEU 74 HD12 LEU 74 1.226 1.732 1.145
543 HD13 LEU 74 HD13 LEU 74 0.433 1.788 -0.428
544 HD21 LEU 74 HD21 LEU 74 -2.983 2.170 0.815
545 HD22 LEU 74 HD22 LEU 74 -2.248 0.633 0.355
546 HD23 LEU 74 HD23 LEU 74 -1.961 2.077 -0.619
547 H LEU 75 HN LEU 75 -2.717 -0.180 4.421
548 HA LEU 75 HA LEU 75 -4.879 -0.789 2.744
549 HB2 LEU 75 HB2 LEU 75 -3.522 -2.536 3.721
550 HB3 LEU 75 HB1 LEU 75 -3.991 -2.051 5.335
551 HG LEU 75 HG LEU 75 -6.284 -2.809 4.930
552 HD11 LEU 75 HD11 LEU 75 -6.406 -2.368 2.519
553 HD12 LEU 75 HD12 LEU 75 -6.907 -3.996 2.914
554 HD13 LEU 75 HD13 LEU 75 -5.306 -3.717 2.216
555 HD21 LEU 75 HD21 LEU 75 -5.822 -5.211 4.787
556 HD22 LEU 75 HD22 LEU 75 -4.678 -4.386 5.842
557 HD23 LEU 75 HD23 LEU 75 -4.193 -4.860 4.214
558 H ASP 76 HN ASP 76 -4.724 0.551 6.011
559 HA ASP 76 HA ASP 76 -7.468 0.225 6.629
560 HB2 ASP 76 HB2 ASP 76 -5.781 0.688 8.373
561 HB3 ASP 76 HB1 ASP 76 -5.550 2.304 7.711
562 H LEU 77 HN LEU 77 -5.630 2.891 5.300
563 HA LEU 77 HA LEU 77 -7.707 4.734 5.056
564 HB2 LEU 77 HB2 LEU 77 -5.208 4.358 3.435
565 HB3 LEU 77 HB1 LEU 77 -6.293 5.704 3.220
566 HG LEU 77 HG LEU 77 -4.691 5.082 5.706
567 HD11 LEU 77 HD11 LEU 77 -4.452 7.283 3.669
568 HD12 LEU 77 HD12 LEU 77 -3.352 5.919 3.864
569 HD13 LEU 77 HD13 LEU 77 -3.495 7.125 5.140
570 HD21 LEU 77 HD21 LEU 77 -5.515 7.231 6.539
571 HD22 LEU 77 HD22 LEU 77 -6.845 6.103 6.273
572 HD23 LEU 77 HD23 LEU 77 -6.540 7.396 5.114
573 H ILE 78 HN ILE 78 -6.641 2.171 2.873
574 HA ILE 78 HA ILE 78 -8.536 2.967 0.900
575 HB ILE 78 HB ILE 78 -6.784 0.489 1.033
576 HG12 ILE 78 HG12 ILE 78 -6.713 3.020 -0.615
577 HG13 ILE 78 HG11 ILE 78 -5.516 2.460 0.546
578 HG21 ILE 78 HG21 ILE 78 -7.490 -0.014 -1.256
579 HG22 ILE 78 HG22 ILE 78 -8.653 1.308 -1.191
580 HG23 ILE 78 HG23 ILE 78 -8.850 -0.090 -0.135
581 HD11 ILE 78 HD11 ILE 78 -4.755 2.152 -1.772
582 HD12 ILE 78 HD12 ILE 78 -6.180 1.154 -2.074
583 HD13 ILE 78 HD13 ILE 78 -4.958 0.594 -0.935
584 H ASN 79 HN ASN 79 -8.475 0.607 3.485
585 HA ASN 79 HA ASN 79 -10.805 -0.813 2.904
586 HB2 ASN 79 HB2 ASN 79 -9.748 0.074 5.601
587 HB3 ASN 79 HB1 ASN 79 -11.121 -0.995 5.409
588 HD21 ASN 79 HD21 ASN 79 -9.907 -2.461 3.161
589 HD22 ASN 79 HD22 ASN 79 -8.643 -3.405 3.853
590 H GLY 80 HN GLY 80 -10.444 2.201 4.703
591 HA2 GLY 80 HA2 GLY 80 -13.192 2.630 5.147
592 HA3 GLY 80 HA1 GLY 80 -11.948 3.871 5.188
593 H ALA 81 HN ALA 81 -11.091 3.587 2.501
594 HA ALA 81 HA ALA 81 -13.031 5.283 1.299
595 HB1 ALA 81 HB1 ALA 81 -10.628 5.627 0.976
596 HB2 ALA 81 HB2 ALA 81 -11.464 5.428 -0.565
597 HB3 ALA 81 HB3 ALA 81 -10.527 4.096 0.111
598 H LEU 82 HN LEU 82 -11.938 1.963 0.719
599 HA LEU 82 HA LEU 82 -13.621 1.542 -1.509
600 HB2 LEU 82 HB2 LEU 82 -12.119 -0.296 0.300
601 HB3 LEU 82 HB1 LEU 82 -13.264 -0.943 -0.853
602 HG LEU 82 HG LEU 82 -10.769 0.662 -1.540
603 HD11 LEU 82 HD11 LEU 82 -11.452 -2.237 -1.919
604 HD12 LEU 82 HD12 LEU 82 -10.304 -1.586 -0.752
605 HD13 LEU 82 HD13 LEU 82 -9.991 -1.419 -2.482
606 HD21 LEU 82 HD21 LEU 82 -12.623 1.072 -3.094
607 HD22 LEU 82 HD22 LEU 82 -12.824 -0.669 -3.300
608 HD23 LEU 82 HD23 LEU 82 -11.340 0.118 -3.839
609 H ALA 83 HN ALA 83 -14.157 1.335 1.902
610 HA ALA 83 HA ALA 83 -16.567 -0.139 1.762
611 HB1 ALA 83 HB1 ALA 83 -15.315 0.138 3.860
612 HB2 ALA 83 HB2 ALA 83 -16.987 0.671 4.027
613 HB3 ALA 83 HB3 ALA 83 -15.696 1.862 3.852
614 H GLU 84 HN GLU 84 -15.804 3.303 1.611
615 HA GLU 84 HA GLU 84 -18.564 4.087 1.444
616 HB2 GLU 84 HB2 GLU 84 -16.052 5.682 0.915
617 HB3 GLU 84 HB1 GLU 84 -17.676 6.346 1.024
618 HG2 GLU 84 HG2 GLU 84 -17.811 5.545 3.349
619 HG3 GLU 84 HG1 GLU 84 -16.144 4.990 3.220
620 H ALA 85 HN ALA 85 -16.211 2.986 -0.706
621 HA ALA 85 HA ALA 85 -17.166 4.195 -3.101
622 HB1 ALA 85 HB1 ALA 85 -15.546 1.667 -2.771
623 HB2 ALA 85 HB2 ALA 85 -14.886 3.295 -2.921
624 HB3 ALA 85 HB3 ALA 85 -15.763 2.571 -4.269
625 H ALA 86 HN ALA 86 -18.365 1.742 -1.134
626 HA ALA 86 HA ALA 86 -19.935 0.514 -3.244
627 HB1 ALA 86 HB1 ALA 86 -18.998 -0.945 -1.496
628 HB2 ALA 86 HB2 ALA 86 -20.762 -0.954 -1.444
629 HB3 ALA 86 HB3 ALA 86 -19.850 -0.014 -0.262
630 H28 SXM 87 H28A SXM 87 7.519 13.308 0.332
631 H28A SXM 87 H28B SXM 87 8.495 12.822 -1.044
632 H30 SXM 87 H30A SXM 87 6.025 11.130 -2.147
633 H30A SXM 87 H30B SXM 87 7.197 12.002 -3.138
634 H30B SXM 87 H30C SXM 87 5.479 12.382 -3.267
635 H31 SXM 87 H31C SXM 87 4.318 13.566 -1.402
636 H31A SXM 87 H31A SXM 87 5.213 13.995 0.056
637 H31B SXM 87 H31B SXM 87 4.846 12.306 -0.287
638 H32 SXM 87 H32A SXM 87 6.993 15.240 -1.305
639 HO33 SXM 87 H33A SXM 87 5.243 14.418 -3.364
640 HN36 SXM 87 H36A SXM 87 7.103 15.691 -4.267
641 H37 SXM 87 H37B SXM 87 8.715 14.798 -6.017
642 H37A SXM 87 H37A SXM 87 9.933 14.882 -4.756
643 H38 SXM 87 H38A SXM 87 8.327 17.203 -5.797
644 H38A SXM 87 H38B SXM 87 9.702 17.306 -4.684
645 HN41 SXM 87 H41A SXM 87 9.670 18.869 -6.702
646 H42 SXM 87 H42A SXM 87 11.804 19.269 -8.011
647 H42A SXM 87 H42B SXM 87 11.342 17.803 -8.869
648 H43 SXM 87 H43A SXM 87 10.592 19.678 -10.188
649 H43A SXM 87 H43B SXM 87 9.768 20.354 -8.776
650 H2 SXM 87 H2A SXM 87 5.825 19.878 -11.400
651 H2A SXM 87 H2B SXM 87 5.824 19.080 -9.842
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -18.575 -5.834 -4.311
2 H2 MET 1 HT2 MET 1 -18.762 -5.347 -5.929
3 H3 MET 1 HT3 MET 1 -20.112 -5.804 -5.049
4 HA MET 1 HA MET 1 -19.919 -3.419 -5.335
5 HB2 MET 1 HB2 MET 1 -19.356 -4.274 -2.479
6 HB3 MET 1 HB1 MET 1 -20.061 -2.741 -2.965
7 HG2 MET 1 HG2 MET 1 -22.006 -3.919 -3.841
8 HG3 MET 1 HG1 MET 1 -21.292 -5.455 -3.357
9 HE1 MET 1 HE1 MET 1 -24.199 -4.674 -2.522
10 HE2 MET 1 HE2 MET 1 -24.207 -5.104 -0.812
11 HE3 MET 1 HE3 MET 1 -23.407 -6.154 -1.981
12 H ALA 2 HN ALA 2 -17.424 -4.381 -2.977
13 HA ALA 2 HA ALA 2 -15.336 -3.113 -4.430
14 HB1 ALA 2 HB1 ALA 2 -14.757 -1.510 -2.643
15 HB2 ALA 2 HB2 ALA 2 -16.238 -1.935 -1.784
16 HB3 ALA 2 HB3 ALA 2 -16.328 -1.134 -3.352
17 H THR 3 HN THR 3 -13.845 -4.641 -4.187
18 HA THR 3 HA THR 3 -13.939 -6.518 -2.056
19 HB THR 3 HB THR 3 -11.819 -7.281 -3.253
20 HG1 THR 3 HG1 THR 3 -11.391 -5.231 -4.130
21 HG21 THR 3 HG21 THR 3 -14.346 -6.972 -4.888
22 HG22 THR 3 HG22 THR 3 -14.032 -8.257 -3.720
23 HG23 THR 3 HG23 THR 3 -13.064 -8.145 -5.191
24 H LEU 4 HN LEU 4 -13.307 -5.706 -0.082
25 HA LEU 4 HA LEU 4 -11.201 -3.838 0.172
26 HB2 LEU 4 HB2 LEU 4 -12.578 -5.568 2.218
27 HB3 LEU 4 HB1 LEU 4 -11.231 -4.523 2.647
28 HG LEU 4 HG LEU 4 -13.827 -3.596 1.441
29 HD11 LEU 4 HD11 LEU 4 -14.153 -4.307 3.749
30 HD12 LEU 4 HD12 LEU 4 -14.202 -2.539 3.621
31 HD13 LEU 4 HD13 LEU 4 -12.763 -3.334 4.249
32 HD21 LEU 4 HD21 LEU 4 -11.961 -2.206 0.788
33 HD22 LEU 4 HD22 LEU 4 -11.468 -2.047 2.473
34 HD23 LEU 4 HD23 LEU 4 -12.994 -1.353 1.932
35 H LEU 5 HN LEU 5 -9.242 -4.052 0.086
36 HA LEU 5 HA LEU 5 -8.078 -6.275 -1.029
37 HB2 LEU 5 HB2 LEU 5 -6.709 -3.939 0.305
38 HB3 LEU 5 HB1 LEU 5 -5.986 -5.059 -0.842
39 HG LEU 5 HG LEU 5 -8.221 -3.117 -1.386
40 HD11 LEU 5 HD11 LEU 5 -5.352 -3.150 -2.268
41 HD12 LEU 5 HD12 LEU 5 -6.086 -2.037 -1.114
42 HD13 LEU 5 HD13 LEU 5 -6.587 -2.013 -2.808
43 HD21 LEU 5 HD21 LEU 5 -8.476 -5.146 -2.704
44 HD22 LEU 5 HD22 LEU 5 -6.805 -5.009 -3.257
45 HD23 LEU 5 HD23 LEU 5 -7.991 -3.788 -3.716
46 H THR 6 HN THR 6 -7.042 -7.958 -0.356
47 HA THR 6 HA THR 6 -6.775 -8.441 2.497
48 HB THR 6 HB THR 6 -6.152 -10.750 1.790
49 HG1 THR 6 HG1 THR 6 -6.568 -9.661 -0.829
50 HG21 THR 6 HG21 THR 6 -8.512 -10.218 2.206
51 HG22 THR 6 HG22 THR 6 -8.358 -11.407 0.910
52 HG23 THR 6 HG23 THR 6 -8.699 -9.718 0.526
53 H THR 7 HN THR 7 -4.517 -10.030 2.645
54 HA THR 7 HA THR 7 -2.519 -8.054 2.306
55 HB THR 7 HB THR 7 -0.967 -9.845 3.130
56 HG1 THR 7 HG1 THR 7 -2.035 -11.712 4.022
57 HG21 THR 7 HG21 THR 7 -3.413 -9.250 4.800
58 HG22 THR 7 HG22 THR 7 -2.027 -8.189 4.585
59 HG23 THR 7 HG23 THR 7 -1.829 -9.733 5.423
60 H ASP 8 HN ASP 8 -3.635 -10.708 0.500
61 HA ASP 8 HA ASP 8 -1.366 -11.129 -1.161
62 HB2 ASP 8 HB2 ASP 8 -3.351 -12.666 -1.046
63 HB3 ASP 8 HB1 ASP 8 -4.268 -11.464 -1.954
64 H ASP 9 HN ASP 9 -4.246 -9.208 -1.478
65 HA ASP 9 HA ASP 9 -3.744 -8.004 -3.977
66 HB2 ASP 9 HB2 ASP 9 -5.289 -6.817 -1.654
67 HB3 ASP 9 HB1 ASP 9 -5.366 -6.292 -3.327
68 H LEU 10 HN LEU 10 -3.179 -6.925 -0.696
69 HA LEU 10 HA LEU 10 -1.997 -4.444 -1.265
70 HB2 LEU 10 HB2 LEU 10 -2.973 -5.130 0.899
71 HB3 LEU 10 HB1 LEU 10 -1.654 -6.252 1.127
72 HG LEU 10 HG LEU 10 -0.084 -4.331 1.246
73 HD11 LEU 10 HD11 LEU 10 -0.988 -2.087 1.482
74 HD12 LEU 10 HD12 LEU 10 -2.608 -2.716 1.159
75 HD13 LEU 10 HD13 LEU 10 -1.375 -2.764 -0.108
76 HD21 LEU 10 HD21 LEU 10 -1.034 -5.293 3.277
77 HD22 LEU 10 HD22 LEU 10 -2.419 -4.209 3.151
78 HD23 LEU 10 HD23 LEU 10 -0.807 -3.553 3.445
79 H ARG 11 HN ARG 11 -0.599 -7.657 -0.633
80 HA ARG 11 HA ARG 11 2.090 -6.937 -0.575
81 HB2 ARG 11 HB2 ARG 11 1.139 -9.174 0.082
82 HB3 ARG 11 HB1 ARG 11 1.027 -9.556 -1.630
83 HG2 ARG 11 HG2 ARG 11 3.518 -9.017 -1.736
84 HG3 ARG 11 HG1 ARG 11 3.477 -9.105 0.024
85 HD2 ARG 11 HD2 ARG 11 2.754 -11.283 -1.923
86 HD3 ARG 11 HD1 ARG 11 4.174 -11.222 -0.886
87 HE ARG 11 HE ARG 11 1.543 -11.238 0.357
88 HH11 ARG 11 HH11 ARG 11 4.623 -12.909 -0.290
89 HH12 ARG 11 HH12 ARG 11 4.211 -14.272 0.653
90 HH21 ARG 11 HH21 ARG 11 1.030 -13.077 1.650
91 HH22 ARG 11 HH22 ARG 11 2.130 -14.374 1.814
92 H ARG 12 HN ARG 12 0.155 -8.205 -3.293
93 HA ARG 12 HA ARG 12 2.312 -8.201 -5.064
94 HB2 ARG 12 HB2 ARG 12 -0.638 -8.173 -5.653
95 HB3 ARG 12 HB1 ARG 12 0.582 -8.269 -6.919
96 HG2 ARG 12 HG2 ARG 12 0.284 -10.250 -4.663
97 HG3 ARG 12 HG1 ARG 12 -0.338 -10.474 -6.301
98 HD2 ARG 12 HD2 ARG 12 1.902 -10.426 -7.204
99 HD3 ARG 12 HD1 ARG 12 2.591 -10.038 -5.637
100 HE ARG 12 HE ARG 12 1.294 -12.571 -6.307
101 HH11 ARG 12 HH11 ARG 12 3.785 -10.702 -4.703
102 HH12 ARG 12 HH12 ARG 12 4.519 -11.997 -3.878
103 HH21 ARG 12 HH21 ARG 12 2.261 -14.425 -5.208
104 HH22 ARG 12 HH22 ARG 12 3.574 -14.219 -4.154
105 H ALA 13 HN ALA 13 0.058 -5.587 -4.468
106 HA ALA 13 HA ALA 13 1.059 -3.961 -6.570
107 HB1 ALA 13 HB1 ALA 13 -0.265 -3.136 -3.985
108 HB2 ALA 13 HB2 ALA 13 -1.094 -3.534 -5.489
109 HB3 ALA 13 HB3 ALA 13 -0.047 -2.116 -5.406
110 H LEU 14 HN LEU 14 2.016 -4.523 -3.282
111 HA LEU 14 HA LEU 14 3.851 -2.347 -3.062
112 HB2 LEU 14 HB2 LEU 14 2.578 -3.439 -1.194
113 HB3 LEU 14 HB1 LEU 14 3.602 -4.841 -1.382
114 HG LEU 14 HG LEU 14 5.557 -3.468 -0.733
115 HD11 LEU 14 HD11 LEU 14 4.698 -1.315 -1.507
116 HD12 LEU 14 HD12 LEU 14 5.187 -1.241 0.184
117 HD13 LEU 14 HD13 LEU 14 3.475 -1.346 -0.238
118 HD21 LEU 14 HD21 LEU 14 4.943 -3.244 1.626
119 HD22 LEU 14 HD22 LEU 14 4.330 -4.749 0.944
120 HD23 LEU 14 HD23 LEU 14 3.238 -3.388 1.196
121 H VAL 15 HN VAL 15 4.046 -5.741 -3.876
122 HA VAL 15 HA VAL 15 6.896 -5.943 -3.843
123 HB VAL 15 HB VAL 15 4.855 -7.703 -5.267
124 HG11 VAL 15 HG11 VAL 15 6.616 -9.403 -5.336
125 HG12 VAL 15 HG12 VAL 15 7.759 -8.246 -4.650
126 HG13 VAL 15 HG13 VAL 15 7.074 -7.965 -6.251
127 HG21 VAL 15 HG21 VAL 15 5.192 -9.232 -3.389
128 HG22 VAL 15 HG22 VAL 15 4.566 -7.673 -2.858
129 HG23 VAL 15 HG23 VAL 15 6.272 -8.060 -2.633
130 H GLU 16 HN GLU 16 4.519 -5.408 -6.393
131 HA GLU 16 HA GLU 16 6.243 -5.406 -8.611
132 HB2 GLU 16 HB2 GLU 16 3.583 -4.106 -8.141
133 HB3 GLU 16 HB1 GLU 16 4.391 -4.123 -9.700
134 HG2 GLU 16 HG2 GLU 16 3.683 -6.600 -8.171
135 HG3 GLU 16 HG1 GLU 16 2.622 -5.847 -9.359
136 H SER 17 HN SER 17 5.362 -2.848 -6.366
137 HA SER 17 HA SER 17 6.618 -0.868 -8.095
138 HB2 SER 17 HB2 SER 17 5.134 -0.429 -5.510
139 HB3 SER 17 HB1 SER 17 5.487 0.755 -6.770
140 HG SER 17 HG SER 17 3.559 -1.171 -6.598
141 H ALA 18 HN ALA 18 7.623 -2.928 -5.770
142 HA ALA 18 HA ALA 18 8.889 -1.506 -3.747
143 HB1 ALA 18 HB1 ALA 18 10.226 -3.497 -3.352
144 HB2 ALA 18 HB2 ALA 18 9.799 -4.118 -4.948
145 HB3 ALA 18 HB3 ALA 18 8.556 -3.933 -3.714
146 H GLY 19 HN GLY 19 10.142 -2.425 -6.838
147 HA2 GLY 19 HA2 GLY 19 12.058 -0.283 -6.844
148 HA3 GLY 19 HA1 GLY 19 12.817 -1.869 -6.677
149 H GLU 20 HN GLU 20 11.126 -3.391 -8.122
150 HA GLU 20 HA GLU 20 10.559 -2.310 -10.679
151 HB2 GLU 20 HB2 GLU 20 12.968 -2.816 -10.916
152 HB3 GLU 20 HB1 GLU 20 12.726 -4.413 -10.243
153 HG2 GLU 20 HG2 GLU 20 13.074 -4.421 -12.673
154 HG3 GLU 20 HG1 GLU 20 11.521 -5.102 -12.206
155 H THR 21 HN THR 21 9.563 -4.129 -11.912
156 HA THR 21 HA THR 21 7.386 -5.351 -10.849
157 HB THR 21 HB THR 21 9.178 -6.432 -13.024
158 HG1 THR 21 HG1 THR 21 8.826 -4.284 -13.464
159 HG21 THR 21 HG21 THR 21 6.172 -6.579 -12.635
160 HG22 THR 21 HG22 THR 21 7.297 -7.919 -12.416
161 HG23 THR 21 HG23 THR 21 7.063 -7.218 -14.019
162 H ASP 22 HN ASP 22 7.231 -6.772 -9.250
163 HA ASP 22 HA ASP 22 7.716 -8.148 -7.576
164 HB2 ASP 22 HB2 ASP 22 7.413 -9.842 -9.379
165 HB3 ASP 22 HB1 ASP 22 9.149 -9.787 -9.680
166 H GLY 23 HN GLY 23 8.945 -6.489 -6.713
167 HA2 GLY 23 HA2 GLY 23 11.811 -6.668 -6.960
168 HA3 GLY 23 HA1 GLY 23 10.900 -5.462 -6.064
169 H THR 24 HN THR 24 9.852 -6.229 -4.102
170 HA THR 24 HA THR 24 11.474 -8.232 -2.714
171 HB THR 24 HB THR 24 10.442 -5.553 -1.733
172 HG1 THR 24 HG1 THR 24 12.343 -4.802 -2.242
173 HG21 THR 24 HG21 THR 24 12.160 -7.624 -0.332
174 HG22 THR 24 HG22 THR 24 10.480 -7.255 0.058
175 HG23 THR 24 HG23 THR 24 11.734 -6.040 0.314
176 H ASP 25 HN ASP 25 10.042 -9.874 -2.457
177 HA ASP 25 HA ASP 25 7.218 -9.420 -2.205
178 HB2 ASP 25 HB2 ASP 25 8.243 -11.515 -3.202
179 HB3 ASP 25 HB1 ASP 25 8.678 -11.987 -1.564
180 H LEU 26 HN LEU 26 6.138 -9.023 -0.409
181 HA LEU 26 HA LEU 26 7.591 -9.119 2.076
182 HB2 LEU 26 HB2 LEU 26 5.028 -7.693 1.355
183 HB3 LEU 26 HB1 LEU 26 5.605 -7.831 2.997
184 HG LEU 26 HG LEU 26 6.167 -5.683 2.287
185 HD11 LEU 26 HD11 LEU 26 8.596 -5.614 2.350
186 HD12 LEU 26 HD12 LEU 26 8.641 -7.353 2.073
187 HD13 LEU 26 HD13 LEU 26 7.908 -6.713 3.544
188 HD21 LEU 26 HD21 LEU 26 5.901 -5.926 -0.113
189 HD22 LEU 26 HD22 LEU 26 7.389 -6.869 -0.201
190 HD23 LEU 26 HD23 LEU 26 7.450 -5.167 0.258
191 H SER 27 HN SER 27 7.481 -11.270 1.956
192 HA SER 27 HA SER 27 5.116 -12.793 2.342
193 HB2 SER 27 HB2 SER 27 7.940 -13.473 3.140
194 HB3 SER 27 HB1 SER 27 6.616 -14.608 2.866
195 HG SER 27 HG SER 27 6.863 -13.082 0.666
196 H GLY 28 HN GLY 28 3.966 -13.155 4.178
197 HA2 GLY 28 HA2 GLY 28 3.881 -13.758 6.480
198 HA3 GLY 28 HA1 GLY 28 5.277 -12.728 6.761
199 H ASP 29 HN ASP 29 4.137 -11.738 8.445
200 HA ASP 29 HA ASP 29 1.841 -10.128 7.660
201 HB2 ASP 29 HB2 ASP 29 1.684 -11.299 9.843
202 HB3 ASP 29 HB1 ASP 29 3.106 -10.422 10.402
203 H PHE 30 HN PHE 30 2.757 -8.728 6.378
204 HA PHE 30 HA PHE 30 5.005 -7.146 7.304
205 HB2 PHE 30 HB2 PHE 30 4.993 -6.194 5.026
206 HB3 PHE 30 HB1 PHE 30 5.104 -7.945 5.020
207 HD1 PHE 30 HD2 PHE 30 3.016 -9.273 4.483
208 HD2 PHE 30 HD1 PHE 30 3.267 -5.070 3.870
209 HE1 PHE 30 HE2 PHE 30 1.096 -9.380 2.959
210 HE2 PHE 30 HE1 PHE 30 1.341 -5.174 2.350
211 HZ PHE 30 HZ PHE 30 0.302 -7.313 1.832
212 H LEU 31 HN LEU 31 1.949 -7.037 8.019
213 HA LEU 31 HA LEU 31 0.968 -4.589 7.127
214 HB2 LEU 31 HB2 LEU 31 0.164 -6.275 9.466
215 HB3 LEU 31 HB1 LEU 31 -0.619 -4.755 9.118
216 HG LEU 31 HG LEU 31 -1.971 -6.534 8.280
217 HD11 LEU 31 HD11 LEU 31 -0.616 -5.113 6.013
218 HD12 LEU 31 HD12 LEU 31 -1.980 -4.531 6.969
219 HD13 LEU 31 HD13 LEU 31 -2.170 -5.940 5.924
220 HD21 LEU 31 HD21 LEU 31 -1.214 -8.091 6.533
221 HD22 LEU 31 HD22 LEU 31 -0.294 -8.286 8.025
222 HD23 LEU 31 HD23 LEU 31 0.414 -7.427 6.657
223 H ASP 32 HN ASP 32 2.641 -5.265 10.202
224 HA ASP 32 HA ASP 32 2.685 -2.356 10.445
225 HB2 ASP 32 HB2 ASP 32 3.214 -2.547 12.836
226 HB3 ASP 32 HB1 ASP 32 1.704 -3.337 12.436
227 H LEU 33 HN LEU 33 4.485 -4.291 8.950
228 HA LEU 33 HA LEU 33 7.059 -3.625 10.052
229 HB2 LEU 33 HB2 LEU 33 6.259 -4.713 7.352
230 HB3 LEU 33 HB1 LEU 33 7.916 -4.377 7.800
231 HG LEU 33 HG LEU 33 6.116 -6.434 9.086
232 HD11 LEU 33 HD11 LEU 33 6.849 -7.025 6.841
233 HD12 LEU 33 HD12 LEU 33 7.670 -8.020 8.051
234 HD13 LEU 33 HD13 LEU 33 8.517 -6.666 7.291
235 HD21 LEU 33 HD21 LEU 33 8.127 -7.117 10.298
236 HD22 LEU 33 HD22 LEU 33 7.694 -5.452 10.689
237 HD23 LEU 33 HD23 LEU 33 9.023 -5.780 9.578
238 H ARG 34 HN ARG 34 7.881 -1.726 9.943
239 HA ARG 34 HA ARG 34 6.586 0.327 8.480
240 HB2 ARG 34 HB2 ARG 34 9.159 0.405 10.066
241 HB3 ARG 34 HB1 ARG 34 8.439 1.809 9.303
242 HG2 ARG 34 HG2 ARG 34 7.795 1.919 11.609
243 HG3 ARG 34 HG1 ARG 34 6.405 1.386 10.694
244 HD2 ARG 34 HD2 ARG 34 6.755 0.139 12.825
245 HD3 ARG 34 HD1 ARG 34 6.639 -0.860 11.380
246 HE ARG 34 HE ARG 34 9.312 -0.120 12.217
247 HH11 ARG 34 HH11 ARG 34 6.772 -2.572 12.270
248 HH12 ARG 34 HH12 ARG 34 7.753 -3.848 12.763
249 HH21 ARG 34 HH21 ARG 34 10.754 -1.909 12.867
250 HH22 ARG 34 HH22 ARG 34 10.055 -3.450 13.139
251 H PHE 35 HN PHE 35 7.234 1.451 6.766
252 HA PHE 35 HA PHE 35 8.600 0.012 4.819
253 HB2 PHE 35 HB2 PHE 35 7.604 2.847 4.860
254 HB3 PHE 35 HB1 PHE 35 8.439 2.177 3.459
255 HD1 PHE 35 HD2 PHE 35 7.450 -0.169 2.608
256 HD2 PHE 35 HD1 PHE 35 5.344 2.653 4.980
257 HE1 PHE 35 HE2 PHE 35 5.339 -1.113 1.856
258 HE2 PHE 35 HE1 PHE 35 3.226 1.703 4.225
259 HZ PHE 35 HZ PHE 35 3.295 -0.335 2.635
260 H GLU 36 HN GLU 36 9.774 2.421 7.002
261 HA GLU 36 HA GLU 36 12.276 2.830 5.804
262 HB2 GLU 36 HB2 GLU 36 13.062 3.444 8.093
263 HB3 GLU 36 HB1 GLU 36 11.589 4.265 7.609
264 HG2 GLU 36 HG2 GLU 36 10.261 2.810 8.984
265 HG3 GLU 36 HG1 GLU 36 11.672 1.829 9.375
266 H ASP 37 HN ASP 37 11.044 0.181 7.701
267 HA ASP 37 HA ASP 37 13.585 -1.012 8.311
268 HB2 ASP 37 HB2 ASP 37 11.526 -1.352 9.707
269 HB3 ASP 37 HB1 ASP 37 10.824 -2.274 8.384
270 H ILE 38 HN ILE 38 11.117 -1.392 5.802
271 HA ILE 38 HA ILE 38 12.709 -3.517 4.623
272 HB ILE 38 HB ILE 38 10.841 -3.756 2.951
273 HG12 ILE 38 HG12 ILE 38 9.420 -1.819 4.797
274 HG13 ILE 38 HG11 ILE 38 9.928 -1.485 3.145
275 HG21 ILE 38 HG21 ILE 38 11.003 -5.215 4.887
276 HG22 ILE 38 HG22 ILE 38 9.310 -4.865 4.534
277 HG23 ILE 38 HG23 ILE 38 10.122 -4.045 5.869
278 HD11 ILE 38 HD11 ILE 38 7.891 -3.536 3.984
279 HD12 ILE 38 HD12 ILE 38 8.391 -3.195 2.328
280 HD13 ILE 38 HD13 ILE 38 7.547 -1.962 3.268
281 H GLY 39 HN GLY 39 13.190 -0.523 4.648
282 HA2 GLY 39 HA2 GLY 39 14.329 0.984 3.333
283 HA3 GLY 39 HA1 GLY 39 14.831 -0.408 2.385
284 H TYR 40 HN TYR 40 11.768 1.236 2.936
285 HA TYR 40 HA TYR 40 11.276 1.000 0.072
286 HB2 TYR 40 HB2 TYR 40 9.761 0.240 2.187
287 HB3 TYR 40 HB1 TYR 40 9.137 1.856 1.850
288 HD1 TYR 40 HD1 TYR 40 9.864 -1.394 0.236
289 HD2 TYR 40 HD2 TYR 40 7.747 2.263 0.188
290 HE1 TYR 40 HE1 TYR 40 8.466 -2.261 -1.575
291 HE2 TYR 40 HE2 TYR 40 6.324 1.444 -1.640
292 HH TYR 40 HH TYR 40 6.318 -0.333 -3.391
293 H ASP 41 HN ASP 41 11.140 2.745 -1.139
294 HA ASP 41 HA ASP 41 11.459 5.366 0.072
295 HB2 ASP 41 HB2 ASP 41 12.850 4.743 -1.856
296 HB3 ASP 41 HB1 ASP 41 11.406 4.449 -2.815
297 H SER 42 HN SER 42 9.884 7.025 -0.126
298 HA SER 42 HA SER 42 7.239 6.216 -0.118
299 HB2 SER 42 HB2 SER 42 6.869 8.743 -0.489
300 HB3 SER 42 HB1 SER 42 7.470 8.162 1.056
301 H LEU 43 HN LEU 43 9.156 7.193 -2.897
302 HA LEU 43 HA LEU 43 6.902 7.851 -4.493
303 HB2 LEU 43 HB2 LEU 43 9.222 8.553 -5.063
304 HB3 LEU 43 HB1 LEU 43 9.662 6.890 -5.331
305 HG LEU 43 HG LEU 43 9.383 8.299 -7.394
306 HD11 LEU 43 HD11 LEU 43 7.591 5.888 -7.245
307 HD12 LEU 43 HD12 LEU 43 9.318 5.893 -7.604
308 HD13 LEU 43 HD13 LEU 43 8.183 6.645 -8.724
309 HD21 LEU 43 HD21 LEU 43 7.113 8.753 -8.201
310 HD22 LEU 43 HD22 LEU 43 7.473 9.615 -6.706
311 HD23 LEU 43 HD23 LEU 43 6.463 8.169 -6.668
312 H ALA 44 HN ALA 44 8.686 4.930 -3.839
313 HA ALA 44 HA ALA 44 7.223 3.235 -5.576
314 HB1 ALA 44 HB1 ALA 44 9.421 2.626 -4.642
315 HB2 ALA 44 HB2 ALA 44 8.206 1.406 -4.300
316 HB3 ALA 44 HB3 ALA 44 8.702 2.534 -3.034
317 H LEU 45 HN LEU 45 6.825 4.324 -2.308
318 HA LEU 45 HA LEU 45 4.650 2.635 -1.634
319 HB2 LEU 45 HB2 LEU 45 6.062 3.656 0.058
320 HB3 LEU 45 HB1 LEU 45 5.573 5.253 -0.456
321 HG LEU 45 HG LEU 45 3.339 4.895 0.400
322 HD11 LEU 45 HD11 LEU 45 4.318 2.142 1.148
323 HD12 LEU 45 HD12 LEU 45 3.139 2.512 -0.111
324 HD13 LEU 45 HD13 LEU 45 2.758 2.841 1.579
325 HD21 LEU 45 HD21 LEU 45 5.472 4.047 2.356
326 HD22 LEU 45 HD22 LEU 45 3.875 4.669 2.767
327 HD23 LEU 45 HD23 LEU 45 5.037 5.708 1.942
328 H MET 46 HN MET 46 4.856 5.955 -2.810
329 HA MET 46 HA MET 46 2.137 6.639 -2.971
330 HB2 MET 46 HB2 MET 46 4.409 7.373 -4.833
331 HB3 MET 46 HB1 MET 46 2.827 8.125 -4.858
332 HG2 MET 46 HG2 MET 46 4.670 8.165 -2.502
333 HG3 MET 46 HG1 MET 46 4.639 9.415 -3.733
334 HE1 MET 46 HE1 MET 46 2.409 10.885 -4.232
335 HE2 MET 46 HE2 MET 46 0.933 10.743 -3.276
336 HE3 MET 46 HE3 MET 46 1.434 9.419 -4.330
337 H GLU 47 HN GLU 47 4.307 5.087 -5.227
338 HA GLU 47 HA GLU 47 2.536 4.699 -7.334
339 HB2 GLU 47 HB2 GLU 47 4.964 4.617 -7.455
340 HB3 GLU 47 HB1 GLU 47 4.977 3.140 -6.515
341 HG2 GLU 47 HG2 GLU 47 5.282 2.713 -8.916
342 HG3 GLU 47 HG1 GLU 47 3.851 1.924 -8.257
343 H THR 48 HN THR 48 3.540 2.471 -4.735
344 HA THR 48 HA THR 48 1.960 0.292 -5.323
345 HB THR 48 HB THR 48 2.758 1.430 -2.634
346 HG1 THR 48 HG1 THR 48 4.578 0.778 -3.700
347 HG21 THR 48 HG21 THR 48 0.837 -0.082 -2.360
348 HG22 THR 48 HG22 THR 48 2.310 -0.805 -1.710
349 HG23 THR 48 HG23 THR 48 1.688 -1.329 -3.274
350 H ALA 49 HN ALA 49 1.130 3.050 -3.201
351 HA ALA 49 HA ALA 49 -1.478 2.278 -2.622
352 HB1 ALA 49 HB1 ALA 49 -0.359 5.080 -2.811
353 HB2 ALA 49 HB2 ALA 49 -0.281 4.036 -1.393
354 HB3 ALA 49 HB3 ALA 49 -1.843 4.612 -1.978
355 H ALA 50 HN ALA 50 -0.336 4.609 -5.072
356 HA ALA 50 HA ALA 50 -2.840 5.166 -6.179
357 HB1 ALA 50 HB1 ALA 50 -1.645 6.150 -8.046
358 HB2 ALA 50 HB2 ALA 50 -0.169 5.314 -7.563
359 HB3 ALA 50 HB3 ALA 50 -0.851 6.566 -6.526
360 H ARG 51 HN ARG 51 -0.688 2.518 -6.784
361 HA ARG 51 HA ARG 51 -1.729 1.645 -9.260
362 HB2 ARG 51 HB2 ARG 51 0.438 1.018 -7.955
363 HB3 ARG 51 HB1 ARG 51 -0.571 -0.161 -7.149
364 HG2 ARG 51 HG2 ARG 51 -0.946 -1.340 -9.156
365 HG3 ARG 51 HG1 ARG 51 -0.238 -0.038 -10.126
366 HD2 ARG 51 HD2 ARG 51 1.897 -0.409 -8.825
367 HD3 ARG 51 HD1 ARG 51 1.151 -1.871 -8.187
368 HE ARG 51 HE ARG 51 0.888 -2.402 -10.705
369 HH11 ARG 51 HH11 ARG 51 3.729 -0.821 -9.189
370 HH12 ARG 51 HH12 ARG 51 4.813 -1.332 -10.395
371 HH21 ARG 51 HH21 ARG 51 2.397 -3.142 -12.296
372 HH22 ARG 51 HH22 ARG 51 4.057 -2.741 -12.180
373 H LEU 52 HN LEU 52 -2.668 1.190 -5.949
374 HA LEU 52 HA LEU 52 -4.771 -0.709 -6.526
375 HB2 LEU 52 HB2 LEU 52 -4.050 0.838 -4.035
376 HB3 LEU 52 HB1 LEU 52 -5.279 -0.410 -4.121
377 HG LEU 52 HG LEU 52 -2.349 -0.884 -4.674
378 HD11 LEU 52 HD11 LEU 52 -2.297 -1.982 -2.492
379 HD12 LEU 52 HD12 LEU 52 -3.959 -1.472 -2.197
380 HD13 LEU 52 HD13 LEU 52 -2.681 -0.267 -2.344
381 HD21 LEU 52 HD21 LEU 52 -2.969 -3.245 -4.495
382 HD22 LEU 52 HD22 LEU 52 -3.843 -2.451 -5.804
383 HD23 LEU 52 HD23 LEU 52 -4.658 -2.788 -4.276
384 H GLU 53 HN GLU 53 -4.515 2.630 -5.396
385 HA GLU 53 HA GLU 53 -7.139 3.441 -5.311
386 HB2 GLU 53 HB2 GLU 53 -4.966 5.239 -6.426
387 HB3 GLU 53 HB1 GLU 53 -6.436 5.583 -5.501
388 HG2 GLU 53 HG2 GLU 53 -4.082 4.167 -4.385
389 HG3 GLU 53 HG1 GLU 53 -4.444 5.867 -4.146
390 H SER 54 HN SER 54 -5.040 3.615 -8.176
391 HA SER 54 HA SER 54 -6.998 4.806 -9.812
392 HB2 SER 54 HB2 SER 54 -5.465 4.208 -11.676
393 HB3 SER 54 HB1 SER 54 -4.645 5.013 -10.336
394 HG SER 54 HG SER 54 -3.649 3.218 -9.812
395 H ARG 55 HN ARG 55 -6.423 1.541 -8.911
396 HA ARG 55 HA ARG 55 -7.831 0.413 -11.161
397 HB2 ARG 55 HB2 ARG 55 -5.955 -0.780 -10.020
398 HB3 ARG 55 HB1 ARG 55 -6.969 -0.930 -8.591
399 HG2 ARG 55 HG2 ARG 55 -8.635 -2.143 -10.061
400 HG3 ARG 55 HG1 ARG 55 -7.368 -2.200 -11.285
401 HD2 ARG 55 HD2 ARG 55 -7.212 -3.343 -8.498
402 HD3 ARG 55 HD1 ARG 55 -7.461 -4.258 -9.975
403 HE ARG 55 HE ARG 55 -5.135 -3.079 -10.489
404 HH11 ARG 55 HH11 ARG 55 -6.213 -4.699 -7.466
405 HH12 ARG 55 HH12 ARG 55 -4.687 -5.353 -7.136
406 HH21 ARG 55 HH21 ARG 55 -3.027 -4.111 -10.010
407 HH22 ARG 55 HH22 ARG 55 -2.874 -5.058 -8.623
408 H TYR 56 HN TYR 56 -8.440 1.076 -7.743
409 HA TYR 56 HA TYR 56 -11.103 -0.073 -8.037
410 HB2 TYR 56 HB2 TYR 56 -9.601 0.673 -5.527
411 HB3 TYR 56 HB1 TYR 56 -11.207 -0.058 -5.572
412 HD1 TYR 56 HD1 TYR 56 -11.471 -2.338 -6.597
413 HD2 TYR 56 HD2 TYR 56 -7.661 -0.676 -5.714
414 HE1 TYR 56 HE1 TYR 56 -10.502 -4.583 -6.620
415 HE2 TYR 56 HE2 TYR 56 -6.670 -2.929 -5.743
416 HH TYR 56 HH TYR 56 -7.339 -5.220 -5.461
417 H GLY 57 HN GLY 57 -9.771 2.916 -8.291
418 HA2 GLY 57 HA2 GLY 57 -10.915 4.862 -8.816
419 HA3 GLY 57 HA1 GLY 57 -12.408 4.087 -8.313
420 H VAL 58 HN VAL 58 -9.563 4.276 -6.313
421 HA VAL 58 HA VAL 58 -10.995 6.167 -4.643
422 HB VAL 58 HB VAL 58 -9.976 5.146 -2.592
423 HG11 VAL 58 HG11 VAL 58 -12.205 4.441 -3.390
424 HG12 VAL 58 HG12 VAL 58 -11.298 3.126 -2.593
425 HG13 VAL 58 HG13 VAL 58 -11.361 3.211 -4.357
426 HG21 VAL 58 HG21 VAL 58 -9.041 3.015 -4.493
427 HG22 VAL 58 HG22 VAL 58 -8.993 2.932 -2.732
428 HG23 VAL 58 HG23 VAL 58 -8.013 4.131 -3.575
429 H SER 59 HN SER 59 -9.109 7.115 -2.899
430 HA SER 59 HA SER 59 -6.838 7.784 -4.487
431 HB2 SER 59 HB2 SER 59 -7.489 10.293 -4.487
432 HB3 SER 59 HB1 SER 59 -8.193 9.185 -5.674
433 HG SER 59 HG SER 59 -10.031 9.835 -4.974
434 H ILE 60 HN ILE 60 -5.696 7.069 -2.651
435 HA ILE 60 HA ILE 60 -5.663 8.573 -0.229
436 HB ILE 60 HB ILE 60 -3.336 6.999 -1.406
437 HG12 ILE 60 HG12 ILE 60 -5.154 5.452 -1.240
438 HG13 ILE 60 HG11 ILE 60 -4.080 5.144 0.115
439 HG21 ILE 60 HG21 ILE 60 -3.891 7.798 1.444
440 HG22 ILE 60 HG22 ILE 60 -2.645 8.465 0.389
441 HG23 ILE 60 HG23 ILE 60 -2.550 6.784 0.909
442 HD11 ILE 60 HD11 ILE 60 -5.607 6.356 1.585
443 HD12 ILE 60 HD12 ILE 60 -6.394 5.001 0.761
444 HD13 ILE 60 HD13 ILE 60 -6.676 6.651 0.209
445 HA PRO 61 HA PRO 61 -3.773 12.220 -2.044
446 HB2 PRO 61 HB2 PRO 61 -3.537 13.012 0.798
447 HB3 PRO 61 HB1 PRO 61 -4.347 13.841 -0.533
448 HG2 PRO 61 HG2 PRO 61 -5.770 12.640 1.355
449 HG3 PRO 61 HG1 PRO 61 -6.265 12.540 -0.349
450 HD2 PRO 61 HD2 PRO 61 -4.800 10.521 1.315
451 HD3 PRO 61 HD1 PRO 61 -6.181 10.284 0.216
452 H ASP 62 HN ASP 62 -1.765 13.118 -2.164
453 HA ASP 62 HA ASP 62 0.531 11.634 -1.979
454 HB2 ASP 62 HB2 ASP 62 0.419 13.575 -3.343
455 HB3 ASP 62 HB1 ASP 62 0.153 14.618 -1.958
456 H ASP 63 HN ASP 63 -0.503 14.108 0.327
457 HA ASP 63 HA ASP 63 1.739 14.061 2.032
458 HB2 ASP 63 HB2 ASP 63 -0.013 15.818 2.039
459 HB3 ASP 63 HB1 ASP 63 -1.122 14.674 2.785
460 H VAL 64 HN VAL 64 -1.023 12.059 1.830
461 HA VAL 64 HA VAL 64 -0.609 10.846 4.426
462 HB VAL 64 HB VAL 64 -2.624 10.119 2.288
463 HG11 VAL 64 HG11 VAL 64 -2.561 9.568 5.250
464 HG12 VAL 64 HG12 VAL 64 -2.283 8.398 3.961
465 HG13 VAL 64 HG13 VAL 64 -3.871 9.138 4.150
466 HG21 VAL 64 HG21 VAL 64 -2.894 12.457 2.907
467 HG22 VAL 64 HG22 VAL 64 -2.935 12.014 4.614
468 HG23 VAL 64 HG23 VAL 64 -4.227 11.489 3.535
469 H ALA 65 HN ALA 65 -0.641 9.871 0.999
470 HA ALA 65 HA ALA 65 -0.089 7.174 1.262
471 HB1 ALA 65 HB1 ALA 65 -0.774 8.250 -0.848
472 HB2 ALA 65 HB2 ALA 65 0.656 7.202 -1.009
473 HB3 ALA 65 HB3 ALA 65 0.858 8.941 -0.950
474 H GLY 66 HN GLY 66 2.273 9.811 0.862
475 HA2 GLY 66 HA2 GLY 66 4.439 7.921 1.023
476 HA3 GLY 66 HA1 GLY 66 4.578 9.670 0.944
477 H ARG 67 HN ARG 67 2.427 8.881 3.350
478 HA ARG 67 HA ARG 67 4.536 8.949 5.377
479 HB2 ARG 67 HB2 ARG 67 3.474 11.147 5.115
480 HB3 ARG 67 HB1 ARG 67 1.900 10.435 5.395
481 HG2 ARG 67 HG2 ARG 67 2.449 9.982 7.682
482 HG3 ARG 67 HG1 ARG 67 4.122 10.472 7.417
483 HD2 ARG 67 HD2 ARG 67 2.726 12.183 8.559
484 HD3 ARG 67 HD1 ARG 67 3.474 12.742 7.068
485 HE ARG 67 HE ARG 67 1.397 12.771 6.037
486 HH11 ARG 67 HH11 ARG 67 1.017 11.599 9.385
487 HH12 ARG 67 HH12 ARG 67 -0.589 12.167 9.509
488 HH21 ARG 67 HH21 ARG 67 -0.721 13.614 6.300
489 HH22 ARG 67 HH22 ARG 67 -1.597 13.345 7.765
490 H VAL 68 HN VAL 68 2.397 6.939 4.110
491 HA VAL 68 HA VAL 68 1.416 5.921 6.625
492 HB VAL 68 HB VAL 68 0.447 4.006 5.292
493 HG11 VAL 68 HG11 VAL 68 -0.292 6.775 4.413
494 HG12 VAL 68 HG12 VAL 68 -0.867 5.925 5.849
495 HG13 VAL 68 HG13 VAL 68 -1.307 5.342 4.243
496 HG21 VAL 68 HG21 VAL 68 1.362 5.603 2.885
497 HG22 VAL 68 HG22 VAL 68 0.293 4.208 2.839
498 HG23 VAL 68 HG23 VAL 68 1.970 4.015 3.350
499 H ASP 69 HN ASP 69 3.279 5.578 7.695
500 HA ASP 69 HA ASP 69 5.565 4.346 6.714
501 HB2 ASP 69 HB2 ASP 69 4.613 4.756 9.528
502 HB3 ASP 69 HB1 ASP 69 6.135 3.953 9.171
503 H THR 70 HN THR 70 2.696 2.820 7.777
504 HA THR 70 HA THR 70 4.086 0.278 7.416
505 HB THR 70 HB THR 70 2.514 -0.720 9.128
506 HG1 THR 70 HG1 THR 70 2.083 2.009 9.754
507 HG21 THR 70 HG21 THR 70 4.825 -0.124 9.767
508 HG22 THR 70 HG22 THR 70 3.693 0.145 11.095
509 HG23 THR 70 HG23 THR 70 4.280 1.507 10.147
510 HA PRO 71 HA PRO 71 1.078 -0.558 4.234
511 HB2 PRO 71 HB2 PRO 71 1.167 -3.340 5.299
512 HB3 PRO 71 HB1 PRO 71 1.396 -2.766 3.640
513 HG2 PRO 71 HG2 PRO 71 3.483 -3.513 5.062
514 HG3 PRO 71 HG1 PRO 71 3.574 -2.053 4.056
515 HD2 PRO 71 HD2 PRO 71 3.210 -2.295 7.019
516 HD3 PRO 71 HD1 PRO 71 4.219 -1.159 6.099
517 H ARG 72 HN ARG 72 0.518 -1.653 7.529
518 HA ARG 72 HA ARG 72 -2.195 -2.336 7.287
519 HB2 ARG 72 HB2 ARG 72 -0.860 -2.858 9.308
520 HB3 ARG 72 HB1 ARG 72 -0.792 -1.146 9.699
521 HG2 ARG 72 HG2 ARG 72 -3.212 -1.110 10.018
522 HG3 ARG 72 HG1 ARG 72 -3.304 -2.815 9.578
523 HD2 ARG 72 HD2 ARG 72 -1.785 -1.684 11.931
524 HD3 ARG 72 HD1 ARG 72 -3.358 -2.473 12.020
525 HE ARG 72 HE ARG 72 -2.086 -4.416 10.958
526 HH11 ARG 72 HH11 ARG 72 -0.886 -2.275 13.549
527 HH12 ARG 72 HH12 ARG 72 0.292 -3.361 14.108
528 HH21 ARG 72 HH21 ARG 72 -0.456 -5.957 11.793
529 HH22 ARG 72 HH22 ARG 72 0.621 -5.454 13.007
530 H GLU 73 HN GLU 73 -0.581 0.752 7.794
531 HA GLU 73 HA GLU 73 -2.872 2.338 8.268
532 HB2 GLU 73 HB2 GLU 73 -0.240 3.099 6.996
533 HB3 GLU 73 HB1 GLU 73 -1.420 4.233 7.612
534 HG2 GLU 73 HG2 GLU 73 0.102 2.224 9.216
535 HG3 GLU 73 HG1 GLU 73 0.449 3.945 9.101
536 H LEU 74 HN LEU 74 -1.095 1.456 5.384
537 HA LEU 74 HA LEU 74 -2.451 3.038 3.467
538 HB2 LEU 74 HB2 LEU 74 -0.251 1.519 3.373
539 HB3 LEU 74 HB1 LEU 74 -1.391 0.314 2.820
540 HG LEU 74 HG LEU 74 -0.816 2.935 1.435
541 HD11 LEU 74 HD11 LEU 74 1.074 1.470 1.325
542 HD12 LEU 74 HD12 LEU 74 0.288 1.550 -0.251
543 HD13 LEU 74 HD13 LEU 74 0.054 0.138 0.780
544 HD21 LEU 74 HD21 LEU 74 -3.106 2.142 0.991
545 HD22 LEU 74 HD22 LEU 74 -2.466 0.569 0.517
546 HD23 LEU 74 HD23 LEU 74 -2.087 2.003 -0.443
547 H LEU 75 HN LEU 75 -2.915 -0.352 4.450
548 HA LEU 75 HA LEU 75 -5.184 -0.776 2.831
549 HB2 LEU 75 HB2 LEU 75 -3.835 -2.624 3.665
550 HB3 LEU 75 HB1 LEU 75 -4.275 -2.230 5.314
551 HG LEU 75 HG LEU 75 -6.600 -2.845 4.854
552 HD11 LEU 75 HD11 LEU 75 -7.217 -3.918 2.751
553 HD12 LEU 75 HD12 LEU 75 -5.608 -3.598 2.104
554 HD13 LEU 75 HD13 LEU 75 -6.688 -2.260 2.493
555 HD21 LEU 75 HD21 LEU 75 -6.258 -5.257 4.604
556 HD22 LEU 75 HD22 LEU 75 -5.066 -4.546 5.690
557 HD23 LEU 75 HD23 LEU 75 -4.614 -4.965 4.037
558 H ASP 76 HN ASP 76 -4.777 0.378 6.096
559 HA ASP 76 HA ASP 76 -7.426 0.265 7.022
560 HB2 ASP 76 HB2 ASP 76 -5.551 0.635 8.516
561 HB3 ASP 76 HB1 ASP 76 -5.151 2.138 7.699
562 H LEU 77 HN LEU 77 -5.621 2.735 5.338
563 HA LEU 77 HA LEU 77 -7.591 4.723 5.181
564 HB2 LEU 77 HB2 LEU 77 -5.361 4.019 3.301
565 HB3 LEU 77 HB1 LEU 77 -6.316 5.470 3.200
566 HG LEU 77 HG LEU 77 -4.429 4.768 5.474
567 HD11 LEU 77 HD11 LEU 77 -4.208 6.713 3.217
568 HD12 LEU 77 HD12 LEU 77 -3.310 5.207 3.406
569 HD13 LEU 77 HD13 LEU 77 -3.079 6.519 4.554
570 HD21 LEU 77 HD21 LEU 77 -5.991 7.296 4.899
571 HD22 LEU 77 HD22 LEU 77 -4.838 7.047 6.210
572 HD23 LEU 77 HD23 LEU 77 -6.359 6.151 6.192
573 H ILE 78 HN ILE 78 -6.660 2.173 2.902
574 HA ILE 78 HA ILE 78 -8.614 2.794 0.989
575 HB ILE 78 HB ILE 78 -6.882 0.366 1.404
576 HG12 ILE 78 HG12 ILE 78 -7.026 2.568 -0.647
577 HG13 ILE 78 HG11 ILE 78 -5.757 2.270 0.532
578 HG21 ILE 78 HG21 ILE 78 -7.675 -0.581 -0.710
579 HG22 ILE 78 HG22 ILE 78 -8.919 0.668 -0.797
580 HG23 ILE 78 HG23 ILE 78 -8.957 -0.522 0.501
581 HD11 ILE 78 HD11 ILE 78 -5.001 0.342 -0.684
582 HD12 ILE 78 HD12 ILE 78 -5.245 1.692 -1.853
583 HD13 ILE 78 HD13 ILE 78 -6.431 0.411 -1.723
584 H ASN 79 HN ASN 79 -8.680 0.795 3.784
585 HA ASN 79 HA ASN 79 -11.104 -0.530 3.302
586 HB2 ASN 79 HB2 ASN 79 -9.550 0.103 5.747
587 HB3 ASN 79 HB1 ASN 79 -11.229 -0.359 5.965
588 HD21 ASN 79 HD21 ASN 79 -9.165 -1.604 3.407
589 HD22 ASN 79 HD22 ASN 79 -9.083 -3.224 4.006
590 H GLY 80 HN GLY 80 -10.475 2.737 4.261
591 HA2 GLY 80 HA2 GLY 80 -13.261 3.199 4.927
592 HA3 GLY 80 HA1 GLY 80 -11.963 4.388 4.943
593 H ALA 81 HN ALA 81 -11.019 3.778 2.295
594 HA ALA 81 HA ALA 81 -12.734 5.573 0.899
595 HB1 ALA 81 HB1 ALA 81 -11.088 5.438 -0.903
596 HB2 ALA 81 HB2 ALA 81 -10.311 4.071 -0.110
597 HB3 ALA 81 HB3 ALA 81 -10.291 5.662 0.652
598 H LEU 82 HN LEU 82 -12.063 2.128 0.707
599 HA LEU 82 HA LEU 82 -13.791 1.807 -1.553
600 HB2 LEU 82 HB2 LEU 82 -12.338 -0.125 0.198
601 HB3 LEU 82 HB1 LEU 82 -13.509 -0.674 -0.976
602 HG LEU 82 HG LEU 82 -10.987 0.885 -1.616
603 HD11 LEU 82 HD11 LEU 82 -10.564 -1.421 -0.869
604 HD12 LEU 82 HD12 LEU 82 -10.159 -1.163 -2.551
605 HD13 LEU 82 HD13 LEU 82 -11.654 -2.017 -2.127
606 HD21 LEU 82 HD21 LEU 82 -13.046 -0.389 -3.413
607 HD22 LEU 82 HD22 LEU 82 -11.553 0.393 -3.936
608 HD23 LEU 82 HD23 LEU 82 -12.821 1.340 -3.161
609 H ALA 83 HN ALA 83 -14.199 1.647 1.898
610 HA ALA 83 HA ALA 83 -16.512 0.141 2.113
611 HB1 ALA 83 HB1 ALA 83 -15.241 0.989 4.029
612 HB2 ALA 83 HB2 ALA 83 -16.965 1.336 4.174
613 HB3 ALA 83 HB3 ALA 83 -15.843 2.614 3.702
614 H GLU 84 HN GLU 84 -16.197 3.455 1.031
615 HA GLU 84 HA GLU 84 -19.054 3.887 1.029
616 HB2 GLU 84 HB2 GLU 84 -18.467 6.074 -0.040
617 HB3 GLU 84 HB1 GLU 84 -17.719 5.801 1.527
618 HG2 GLU 84 HG2 GLU 84 -15.645 5.155 0.424
619 HG3 GLU 84 HG1 GLU 84 -16.399 5.432 -1.143
620 H ALA 85 HN ALA 85 -16.702 2.722 -1.200
621 HA ALA 85 HA ALA 85 -18.298 3.274 -3.554
622 HB1 ALA 85 HB1 ALA 85 -15.855 3.475 -3.660
623 HB2 ALA 85 HB2 ALA 85 -16.451 2.250 -4.780
624 HB3 ALA 85 HB3 ALA 85 -15.698 1.763 -3.260
625 H ALA 86 HN ALA 86 -18.462 1.099 -1.185
626 HA ALA 86 HA ALA 86 -19.032 -1.260 -2.732
627 HB1 ALA 86 HB1 ALA 86 -19.386 -0.690 0.220
628 HB2 ALA 86 HB2 ALA 86 -17.989 -1.471 -0.522
629 HB3 ALA 86 HB3 ALA 86 -19.562 -2.268 -0.552
630 H28 SXM 87 H28A SXM 87 8.097 12.493 2.031
631 H28A SXM 87 H28B SXM 87 8.247 13.077 0.372
632 H30 SXM 87 H30A SXM 87 5.587 11.206 2.083
633 H30A SXM 87 H30B SXM 87 4.541 12.605 2.324
634 H30B SXM 87 H30C SXM 87 6.103 12.509 3.158
635 H31 SXM 87 H31C SXM 87 5.136 14.786 1.295
636 H31A SXM 87 H31A SXM 87 6.678 14.943 0.450
637 H31B SXM 87 H31B SXM 87 6.650 14.724 2.200
638 H32 SXM 87 H32A SXM 87 4.441 12.984 -0.192
639 HO33 SXM 87 H33A SXM 87 6.141 10.820 -0.017
640 HN36 SXM 87 H36A SXM 87 5.297 11.294 -2.124
641 H37 SXM 87 H37B SXM 87 7.106 11.376 -3.984
642 H37A SXM 87 H37A SXM 87 6.618 13.074 -4.087
643 H38 SXM 87 H38A SXM 87 4.828 10.680 -4.492
644 H38A SXM 87 H38B SXM 87 4.317 12.356 -4.557
645 HN41 SXM 87 H41A SXM 87 3.519 11.327 -6.519
646 H42 SXM 87 H42A SXM 87 4.692 12.372 -8.809
647 H42A SXM 87 H42B SXM 87 4.978 10.626 -8.771
648 H43 SXM 87 H43A SXM 87 2.291 11.983 -8.536
649 H43A SXM 87 H43B SXM 87 2.574 10.233 -8.558
650 H2 SXM 87 H2A SXM 87 -0.390 10.880 -12.285
651 H2A SXM 87 H2B SXM 87 1.143 10.225 -12.819
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -19.309 -6.884 0.833
2 H2 MET 1 HT2 MET 1 -20.718 -6.761 1.715
3 H3 MET 1 HT3 MET 1 -19.393 -5.777 2.118
4 HA MET 1 HA MET 1 -21.018 -5.713 -0.359
5 HB2 MET 1 HB2 MET 1 -22.147 -4.759 1.624
6 HB3 MET 1 HB1 MET 1 -20.770 -3.704 1.893
7 HG2 MET 1 HG2 MET 1 -22.559 -2.467 0.863
8 HG3 MET 1 HG1 MET 1 -21.206 -2.606 -0.256
9 HE1 MET 1 HE1 MET 1 -24.367 -2.615 -2.591
10 HE2 MET 1 HE2 MET 1 -22.832 -1.828 -2.228
11 HE3 MET 1 HE3 MET 1 -24.168 -1.725 -1.081
12 H ALA 2 HN ALA 2 -18.372 -4.184 1.482
13 HA ALA 2 HA ALA 2 -17.469 -2.790 -0.884
14 HB1 ALA 2 HB1 ALA 2 -16.318 -2.935 1.901
15 HB2 ALA 2 HB2 ALA 2 -17.396 -1.677 1.294
16 HB3 ALA 2 HB3 ALA 2 -15.779 -1.857 0.613
17 H THR 3 HN THR 3 -15.964 -3.547 -2.203
18 HA THR 3 HA THR 3 -14.640 -6.062 -1.730
19 HB THR 3 HB THR 3 -14.281 -4.009 -3.844
20 HG1 THR 3 HG1 THR 3 -15.842 -5.154 -5.019
21 HG21 THR 3 HG21 THR 3 -13.529 -5.921 -5.236
22 HG22 THR 3 HG22 THR 3 -13.718 -6.973 -3.833
23 HG23 THR 3 HG23 THR 3 -12.518 -5.680 -3.810
24 H LEU 4 HN LEU 4 -12.899 -5.948 -0.305
25 HA LEU 4 HA LEU 4 -11.310 -3.470 -0.299
26 HB2 LEU 4 HB2 LEU 4 -11.469 -5.614 1.812
27 HB3 LEU 4 HB1 LEU 4 -10.580 -4.112 1.921
28 HG LEU 4 HG LEU 4 -13.562 -4.425 1.835
29 HD11 LEU 4 HD11 LEU 4 -11.709 -3.603 4.052
30 HD12 LEU 4 HD12 LEU 4 -12.611 -5.115 3.939
31 HD13 LEU 4 HD13 LEU 4 -13.471 -3.589 4.133
32 HD21 LEU 4 HD21 LEU 4 -13.624 -1.998 2.304
33 HD22 LEU 4 HD22 LEU 4 -12.941 -2.376 0.724
34 HD23 LEU 4 HD23 LEU 4 -11.876 -1.938 2.056
35 H LEU 5 HN LEU 5 -8.950 -3.662 -0.175
36 HA LEU 5 HA LEU 5 -7.880 -5.813 -1.598
37 HB2 LEU 5 HB2 LEU 5 -6.643 -3.550 -0.005
38 HB3 LEU 5 HB1 LEU 5 -5.733 -4.744 -0.905
39 HG LEU 5 HG LEU 5 -5.753 -2.828 -2.144
40 HD11 LEU 5 HD11 LEU 5 -6.997 -3.378 -4.160
41 HD12 LEU 5 HD12 LEU 5 -7.917 -4.563 -3.243
42 HD13 LEU 5 HD13 LEU 5 -6.173 -4.783 -3.469
43 HD21 LEU 5 HD21 LEU 5 -7.747 -1.560 -2.775
44 HD22 LEU 5 HD22 LEU 5 -7.468 -1.591 -1.032
45 HD23 LEU 5 HD23 LEU 5 -8.719 -2.614 -1.743
46 H THR 6 HN THR 6 -7.078 -7.655 -0.759
47 HA THR 6 HA THR 6 -7.080 -7.852 2.122
48 HB THR 6 HB THR 6 -6.577 -10.246 1.767
49 HG1 THR 6 HG1 THR 6 -6.744 -9.648 -1.024
50 HG21 THR 6 HG21 THR 6 -8.669 -10.887 0.638
51 HG22 THR 6 HG22 THR 6 -8.829 -9.247 0.010
52 HG23 THR 6 HG23 THR 6 -8.924 -9.539 1.748
53 H THR 7 HN THR 7 -4.972 -9.439 2.715
54 HA THR 7 HA THR 7 -2.799 -7.697 2.620
55 HB THR 7 HB THR 7 -1.571 -9.767 3.486
56 HG1 THR 7 HG1 THR 7 -2.611 -11.579 3.595
57 HG21 THR 7 HG21 THR 7 -2.557 -8.079 4.972
58 HG22 THR 7 HG22 THR 7 -2.734 -9.697 5.647
59 HG23 THR 7 HG23 THR 7 -4.111 -8.907 4.880
60 H ASP 8 HN ASP 8 -3.429 -10.763 0.959
61 HA ASP 8 HA ASP 8 -1.141 -10.974 -0.590
62 HB2 ASP 8 HB2 ASP 8 -2.734 -12.782 -0.429
63 HB3 ASP 8 HB1 ASP 8 -3.964 -11.821 -1.238
64 H ASP 9 HN ASP 9 -4.075 -9.153 -1.271
65 HA ASP 9 HA ASP 9 -3.434 -8.447 -3.944
66 HB2 ASP 9 HB2 ASP 9 -5.189 -6.928 -2.005
67 HB3 ASP 9 HB1 ASP 9 -5.114 -6.667 -3.742
68 H LEU 10 HN LEU 10 -3.232 -6.582 -0.946
69 HA LEU 10 HA LEU 10 -2.043 -4.294 -2.057
70 HB2 LEU 10 HB2 LEU 10 -3.176 -4.644 0.242
71 HB3 LEU 10 HB1 LEU 10 -1.632 -5.247 0.779
72 HG LEU 10 HG LEU 10 -2.180 -2.429 -0.196
73 HD11 LEU 10 HD11 LEU 10 -3.251 -2.872 1.902
74 HD12 LEU 10 HD12 LEU 10 -1.874 -1.794 2.133
75 HD13 LEU 10 HD13 LEU 10 -1.742 -3.496 2.568
76 HD21 LEU 10 HD21 LEU 10 0.317 -3.577 1.070
77 HD22 LEU 10 HD22 LEU 10 0.037 -1.873 0.720
78 HD23 LEU 10 HD23 LEU 10 0.161 -3.036 -0.602
79 H ARG 11 HN ARG 11 -0.685 -7.171 -0.512
80 HA ARG 11 HA ARG 11 2.007 -6.554 -0.364
81 HB2 ARG 11 HB2 ARG 11 1.009 -8.640 0.504
82 HB3 ARG 11 HB1 ARG 11 0.826 -9.221 -1.142
83 HG2 ARG 11 HG2 ARG 11 3.326 -9.019 -1.385
84 HG3 ARG 11 HG1 ARG 11 3.385 -8.704 0.350
85 HD2 ARG 11 HD2 ARG 11 2.269 -11.170 -0.974
86 HD3 ARG 11 HD1 ARG 11 3.815 -11.050 -0.133
87 HE ARG 11 HE ARG 11 2.505 -10.539 1.885
88 HH11 ARG 11 HH11 ARG 11 1.032 -12.376 -0.772
89 HH12 ARG 11 HH12 ARG 11 -0.086 -13.190 0.211
90 HH21 ARG 11 HH21 ARG 11 0.849 -11.683 3.258
91 HH22 ARG 11 HH22 ARG 11 -0.236 -12.736 2.478
92 H ARG 12 HN ARG 12 0.265 -8.041 -3.073
93 HA ARG 12 HA ARG 12 2.650 -8.192 -4.558
94 HB2 ARG 12 HB2 ARG 12 -0.189 -8.710 -5.386
95 HB3 ARG 12 HB1 ARG 12 1.171 -8.885 -6.492
96 HG2 ARG 12 HG2 ARG 12 0.940 -10.327 -3.857
97 HG3 ARG 12 HG1 ARG 12 0.464 -11.011 -5.413
98 HD2 ARG 12 HD2 ARG 12 2.658 -11.048 -6.200
99 HD3 ARG 12 HD1 ARG 12 3.291 -9.955 -4.999
100 HE ARG 12 HE ARG 12 2.248 -12.290 -3.823
101 HH11 ARG 12 HH11 ARG 12 4.970 -11.093 -5.741
102 HH12 ARG 12 HH12 ARG 12 6.148 -12.089 -5.045
103 HH21 ARG 12 HH21 ARG 12 3.858 -13.761 -2.840
104 HH22 ARG 12 HH22 ARG 12 5.476 -13.694 -3.382
105 H ALA 13 HN ALA 13 0.086 -5.818 -4.615
106 HA ALA 13 HA ALA 13 1.107 -4.408 -6.860
107 HB1 ALA 13 HB1 ALA 13 -0.184 -2.497 -6.019
108 HB2 ALA 13 HB2 ALA 13 -0.411 -3.323 -4.477
109 HB3 ALA 13 HB3 ALA 13 -1.133 -3.981 -5.948
110 H LEU 14 HN LEU 14 1.852 -4.433 -3.496
111 HA LEU 14 HA LEU 14 3.635 -2.241 -3.352
112 HB2 LEU 14 HB2 LEU 14 2.455 -3.291 -1.460
113 HB3 LEU 14 HB1 LEU 14 3.389 -4.741 -1.689
114 HG LEU 14 HG LEU 14 5.430 -3.442 -1.076
115 HD11 LEU 14 HD11 LEU 14 3.404 -1.338 -0.328
116 HD12 LEU 14 HD12 LEU 14 4.599 -1.208 -1.619
117 HD13 LEU 14 HD13 LEU 14 5.124 -1.309 0.062
118 HD21 LEU 14 HD21 LEU 14 4.296 -4.863 0.473
119 HD22 LEU 14 HD22 LEU 14 3.165 -3.576 0.902
120 HD23 LEU 14 HD23 LEU 14 4.884 -3.429 1.307
121 H VAL 15 HN VAL 15 4.103 -5.744 -3.673
122 HA VAL 15 HA VAL 15 6.893 -5.881 -3.852
123 HB VAL 15 HB VAL 15 4.844 -7.627 -5.275
124 HG11 VAL 15 HG11 VAL 15 7.054 -7.866 -6.271
125 HG12 VAL 15 HG12 VAL 15 6.609 -9.313 -5.366
126 HG13 VAL 15 HG13 VAL 15 7.749 -8.161 -4.679
127 HG21 VAL 15 HG21 VAL 15 6.277 -8.007 -2.660
128 HG22 VAL 15 HG22 VAL 15 5.198 -9.175 -3.427
129 HG23 VAL 15 HG23 VAL 15 4.570 -7.625 -2.866
130 H GLU 16 HN GLU 16 4.512 -5.652 -6.447
131 HA GLU 16 HA GLU 16 6.164 -5.584 -8.668
132 HB2 GLU 16 HB2 GLU 16 3.483 -4.332 -8.150
133 HB3 GLU 16 HB1 GLU 16 4.242 -4.357 -9.734
134 HG2 GLU 16 HG2 GLU 16 4.141 -6.730 -9.831
135 HG3 GLU 16 HG1 GLU 16 3.655 -6.832 -8.141
136 H SER 17 HN SER 17 5.402 -3.000 -6.429
137 HA SER 17 HA SER 17 6.594 -1.013 -8.182
138 HB2 SER 17 HB2 SER 17 5.301 -0.689 -5.477
139 HB3 SER 17 HB1 SER 17 5.694 0.592 -6.626
140 HG SER 17 HG SER 17 3.667 -1.325 -6.691
141 H ALA 18 HN ALA 18 7.467 -3.031 -5.580
142 HA ALA 18 HA ALA 18 9.345 -1.327 -4.258
143 HB1 ALA 18 HB1 ALA 18 8.222 -3.173 -3.116
144 HB2 ALA 18 HB2 ALA 18 9.978 -3.320 -3.022
145 HB3 ALA 18 HB3 ALA 18 9.067 -4.323 -4.152
146 H GLY 19 HN GLY 19 9.455 -3.107 -7.081
147 HA2 GLY 19 HA2 GLY 19 11.794 -2.390 -8.102
148 HA3 GLY 19 HA1 GLY 19 12.299 -3.660 -6.993
149 H GLU 20 HN GLU 20 12.947 -5.123 -8.482
150 HA GLU 20 HA GLU 20 10.932 -6.041 -10.404
151 HB2 GLU 20 HB2 GLU 20 12.878 -4.902 -11.428
152 HB3 GLU 20 HB1 GLU 20 13.940 -6.069 -10.657
153 HG2 GLU 20 HG2 GLU 20 13.549 -6.523 -13.046
154 HG3 GLU 20 HG1 GLU 20 13.040 -7.845 -11.997
155 H THR 21 HN THR 21 10.820 -8.251 -10.800
156 HA THR 21 HA THR 21 10.357 -10.301 -10.032
157 HB THR 21 HB THR 21 12.476 -11.721 -9.764
158 HG1 THR 21 HG1 THR 21 14.096 -10.416 -9.231
159 HG21 THR 21 HG21 THR 21 12.131 -9.981 -12.197
160 HG22 THR 21 HG22 THR 21 11.252 -11.472 -11.853
161 HG23 THR 21 HG23 THR 21 12.993 -11.521 -12.155
162 H ASP 22 HN ASP 22 9.485 -9.074 -8.143
163 HA ASP 22 HA ASP 22 8.882 -9.023 -6.049
164 HB2 ASP 22 HB2 ASP 22 10.644 -11.479 -5.639
165 HB3 ASP 22 HB1 ASP 22 9.672 -10.741 -4.372
166 H GLY 23 HN GLY 23 9.926 -7.091 -6.360
167 HA2 GLY 23 HA2 GLY 23 12.425 -6.234 -5.573
168 HA3 GLY 23 HA1 GLY 23 10.944 -5.303 -5.317
169 H THR 24 HN THR 24 9.635 -6.573 -3.503
170 HA THR 24 HA THR 24 11.253 -7.410 -1.291
171 HB THR 24 HB THR 24 9.287 -5.074 -0.990
172 HG1 THR 24 HG1 THR 24 11.967 -5.155 -1.674
173 HG21 THR 24 HG21 THR 24 11.421 -6.185 0.844
174 HG22 THR 24 HG22 THR 24 9.683 -6.431 1.026
175 HG23 THR 24 HG23 THR 24 10.369 -4.817 1.206
176 H ASP 25 HN ASP 25 10.242 -9.339 -1.564
177 HA ASP 25 HA ASP 25 7.637 -9.705 -2.507
178 HB2 ASP 25 HB2 ASP 25 7.801 -12.060 -1.978
179 HB3 ASP 25 HB1 ASP 25 9.342 -11.509 -2.609
180 H LEU 26 HN LEU 26 8.719 -9.732 0.864
181 HA LEU 26 HA LEU 26 7.547 -9.591 2.796
182 HB2 LEU 26 HB2 LEU 26 5.674 -8.102 0.957
183 HB3 LEU 26 HB1 LEU 26 5.665 -8.000 2.716
184 HG LEU 26 HG LEU 26 8.079 -7.311 1.073
185 HD11 LEU 26 HD11 LEU 26 5.966 -5.446 2.115
186 HD12 LEU 26 HD12 LEU 26 6.327 -5.825 0.419
187 HD13 LEU 26 HD13 LEU 26 7.516 -4.990 1.398
188 HD21 LEU 26 HD21 LEU 26 8.455 -7.924 3.337
189 HD22 LEU 26 HD22 LEU 26 7.276 -6.716 3.888
190 HD23 LEU 26 HD23 LEU 26 8.775 -6.197 3.083
191 H SER 27 HN SER 27 7.162 -11.882 1.199
192 HA SER 27 HA SER 27 4.413 -12.619 1.076
193 HB2 SER 27 HB2 SER 27 6.258 -13.558 -0.410
194 HB3 SER 27 HB1 SER 27 6.800 -14.478 0.988
195 HG SER 27 HG SER 27 5.447 -15.713 -0.367
196 H GLY 28 HN GLY 28 3.396 -12.582 2.872
197 HA2 GLY 28 HA2 GLY 28 3.045 -14.347 4.741
198 HA3 GLY 28 HA1 GLY 28 4.503 -13.544 5.356
199 H ASP 29 HN ASP 29 2.957 -12.804 7.125
200 HA ASP 29 HA ASP 29 1.201 -10.754 6.091
201 HB2 ASP 29 HB2 ASP 29 0.556 -12.296 8.042
202 HB3 ASP 29 HB1 ASP 29 1.612 -11.273 9.025
203 H PHE 30 HN PHE 30 1.774 -8.834 5.798
204 HA PHE 30 HA PHE 30 4.446 -8.053 6.700
205 HB2 PHE 30 HB2 PHE 30 4.507 -6.652 4.668
206 HB3 PHE 30 HB1 PHE 30 4.266 -8.364 4.329
207 HD1 PHE 30 HD2 PHE 30 2.001 -9.178 3.693
208 HD2 PHE 30 HD1 PHE 30 2.895 -5.038 4.028
209 HE1 PHE 30 HE2 PHE 30 0.019 -8.642 2.351
210 HE2 PHE 30 HE1 PHE 30 0.919 -4.501 2.691
211 HZ PHE 30 HZ PHE 30 -0.603 -6.299 1.969
212 H LEU 31 HN LEU 31 1.469 -7.351 7.765
213 HA LEU 31 HA LEU 31 1.454 -4.515 7.458
214 HB2 LEU 31 HB2 LEU 31 -0.222 -6.376 9.079
215 HB3 LEU 31 HB1 LEU 31 -0.253 -4.667 9.446
216 HG LEU 31 HG LEU 31 -0.948 -4.237 7.087
217 HD11 LEU 31 HD11 LEU 31 -1.871 -6.039 5.768
218 HD12 LEU 31 HD12 LEU 31 -1.281 -7.218 6.944
219 HD13 LEU 31 HD13 LEU 31 -0.138 -6.239 6.020
220 HD21 LEU 31 HD21 LEU 31 -2.550 -4.236 8.874
221 HD22 LEU 31 HD22 LEU 31 -2.745 -5.988 8.750
222 HD23 LEU 31 HD23 LEU 31 -3.273 -4.943 7.427
223 H ASP 32 HN ASP 32 3.040 -6.575 9.620
224 HA ASP 32 HA ASP 32 3.475 -4.462 11.555
225 HB2 ASP 32 HB2 ASP 32 3.203 -6.832 12.294
226 HB3 ASP 32 HB1 ASP 32 4.709 -7.230 11.477
227 H LEU 33 HN LEU 33 4.841 -5.384 8.637
228 HA LEU 33 HA LEU 33 7.522 -4.514 9.294
229 HB2 LEU 33 HB2 LEU 33 6.286 -5.553 6.746
230 HB3 LEU 33 HB1 LEU 33 7.874 -4.824 6.762
231 HG LEU 33 HG LEU 33 8.129 -7.184 6.735
232 HD11 LEU 33 HD11 LEU 33 9.428 -7.594 8.753
233 HD12 LEU 33 HD12 LEU 33 8.725 -6.151 9.483
234 HD13 LEU 33 HD13 LEU 33 9.745 -6.006 8.053
235 HD21 LEU 33 HD21 LEU 33 7.270 -8.655 8.504
236 HD22 LEU 33 HD22 LEU 33 5.978 -7.892 7.585
237 HD23 LEU 33 HD23 LEU 33 6.386 -7.294 9.195
238 H ARG 34 HN ARG 34 7.879 -2.497 9.468
239 HA ARG 34 HA ARG 34 6.212 -0.453 8.346
240 HB2 ARG 34 HB2 ARG 34 8.909 -0.289 9.695
241 HB3 ARG 34 HB1 ARG 34 7.861 1.074 9.340
242 HG2 ARG 34 HG2 ARG 34 6.195 0.243 10.887
243 HG3 ARG 34 HG1 ARG 34 7.167 -1.201 11.190
244 HD2 ARG 34 HD2 ARG 34 7.436 0.477 12.967
245 HD3 ARG 34 HD1 ARG 34 8.951 0.166 12.115
246 HE ARG 34 HE ARG 34 7.247 2.417 11.361
247 HH11 ARG 34 HH11 ARG 34 10.320 1.306 12.799
248 HH12 ARG 34 HH12 ARG 34 11.131 2.776 12.455
249 HH21 ARG 34 HH21 ARG 34 8.351 4.381 10.999
250 HH22 ARG 34 HH22 ARG 34 9.991 4.596 11.492
251 H PHE 35 HN PHE 35 6.892 1.124 6.804
252 HA PHE 35 HA PHE 35 8.302 0.003 4.625
253 HB2 PHE 35 HB2 PHE 35 7.352 2.836 5.086
254 HB3 PHE 35 HB1 PHE 35 8.132 2.314 3.596
255 HD1 PHE 35 HD2 PHE 35 7.060 0.189 2.489
256 HD2 PHE 35 HD1 PHE 35 5.047 2.755 5.204
257 HE1 PHE 35 HE2 PHE 35 4.902 -0.608 1.630
258 HE2 PHE 35 HE1 PHE 35 2.886 1.964 4.355
259 HZ PHE 35 HZ PHE 35 2.808 0.282 2.564
260 H GLU 36 HN GLU 36 9.272 2.076 7.201
261 HA GLU 36 HA GLU 36 11.798 2.851 6.288
262 HB2 GLU 36 HB2 GLU 36 10.736 3.775 8.280
263 HB3 GLU 36 HB1 GLU 36 10.841 2.222 9.083
264 HG2 GLU 36 HG2 GLU 36 13.289 2.375 9.026
265 HG3 GLU 36 HG1 GLU 36 13.155 3.960 8.259
266 H ASP 37 HN ASP 37 10.696 -0.103 7.879
267 HA ASP 37 HA ASP 37 13.307 -1.164 8.330
268 HB2 ASP 37 HB2 ASP 37 11.359 -1.836 9.708
269 HB3 ASP 37 HB1 ASP 37 10.657 -2.629 8.302
270 H ILE 38 HN ILE 38 10.931 -1.441 5.802
271 HA ILE 38 HA ILE 38 12.576 -3.395 4.427
272 HB ILE 38 HB ILE 38 10.764 -3.579 2.764
273 HG12 ILE 38 HG12 ILE 38 9.329 -1.530 4.479
274 HG13 ILE 38 HG11 ILE 38 9.933 -1.260 2.849
275 HG21 ILE 38 HG21 ILE 38 9.815 -3.768 5.622
276 HG22 ILE 38 HG22 ILE 38 10.706 -5.002 4.730
277 HG23 ILE 38 HG23 ILE 38 9.068 -4.569 4.240
278 HD11 ILE 38 HD11 ILE 38 7.762 -3.196 3.632
279 HD12 ILE 38 HD12 ILE 38 8.354 -2.918 1.995
280 HD13 ILE 38 HD13 ILE 38 7.523 -1.627 2.865
281 H GLY 39 HN GLY 39 13.118 -0.415 4.788
282 HA2 GLY 39 HA2 GLY 39 14.235 1.251 3.661
283 HA3 GLY 39 HA1 GLY 39 14.787 -0.036 2.605
284 H TYR 40 HN TYR 40 11.588 1.352 3.117
285 HA TYR 40 HA TYR 40 11.261 1.562 0.213
286 HB2 TYR 40 HB2 TYR 40 9.612 0.662 2.312
287 HB3 TYR 40 HB1 TYR 40 8.983 2.230 1.810
288 HD1 TYR 40 HD1 TYR 40 9.892 -1.096 0.511
289 HD2 TYR 40 HD2 TYR 40 7.661 2.466 -0.029
290 HE1 TYR 40 HE1 TYR 40 8.706 -2.141 -1.361
291 HE2 TYR 40 HE2 TYR 40 6.467 1.444 -1.910
292 HH TYR 40 HH TYR 40 6.547 -1.826 -2.673
293 H ASP 41 HN ASP 41 11.018 3.504 -0.746
294 HA ASP 41 HA ASP 41 10.809 5.907 0.958
295 HB2 ASP 41 HB2 ASP 41 11.915 5.659 -1.876
296 HB3 ASP 41 HB1 ASP 41 11.608 7.195 -1.086
297 H SER 42 HN SER 42 9.589 7.763 -0.431
298 HA SER 42 HA SER 42 6.965 6.710 -0.679
299 HB2 SER 42 HB2 SER 42 7.628 9.369 -1.874
300 HB3 SER 42 HB1 SER 42 6.198 8.840 -1.013
301 H LEU 43 HN LEU 43 9.500 7.177 -2.988
302 HA LEU 43 HA LEU 43 8.065 7.546 -5.337
303 HB2 LEU 43 HB2 LEU 43 10.587 7.624 -5.016
304 HB3 LEU 43 HB1 LEU 43 10.584 5.880 -5.055
305 HG LEU 43 HG LEU 43 11.367 6.922 -7.158
306 HD11 LEU 43 HD11 LEU 43 10.452 4.691 -7.300
307 HD12 LEU 43 HD12 LEU 43 10.054 5.618 -8.745
308 HD13 LEU 43 HD13 LEU 43 8.829 5.349 -7.504
309 HD21 LEU 43 HD21 LEU 43 9.765 8.027 -8.651
310 HD22 LEU 43 HD22 LEU 43 10.008 8.917 -7.148
311 HD23 LEU 43 HD23 LEU 43 8.547 7.955 -7.376
312 H ALA 44 HN ALA 44 9.194 4.436 -4.010
313 HA ALA 44 HA ALA 44 7.608 2.889 -5.803
314 HB1 ALA 44 HB1 ALA 44 8.323 0.975 -4.488
315 HB2 ALA 44 HB2 ALA 44 8.833 2.033 -3.175
316 HB3 ALA 44 HB3 ALA 44 9.693 2.063 -4.714
317 H LEU 45 HN LEU 45 7.067 4.310 -2.712
318 HA LEU 45 HA LEU 45 4.877 2.702 -1.920
319 HB2 LEU 45 HB2 LEU 45 6.263 3.914 -0.329
320 HB3 LEU 45 HB1 LEU 45 5.741 5.437 -1.008
321 HG LEU 45 HG LEU 45 3.518 5.142 -0.108
322 HD11 LEU 45 HD11 LEU 45 4.511 2.462 0.876
323 HD12 LEU 45 HD12 LEU 45 3.344 2.716 -0.421
324 HD13 LEU 45 HD13 LEU 45 2.941 3.181 1.232
325 HD21 LEU 45 HD21 LEU 45 5.641 4.446 1.919
326 HD22 LEU 45 HD22 LEU 45 4.055 5.129 2.274
327 HD23 LEU 45 HD23 LEU 45 5.236 6.071 1.362
328 H MET 46 HN MET 46 5.056 5.881 -3.481
329 HA MET 46 HA MET 46 2.265 6.381 -3.652
330 HB2 MET 46 HB2 MET 46 4.440 7.245 -5.568
331 HB3 MET 46 HB1 MET 46 2.815 7.896 -5.511
332 HG2 MET 46 HG2 MET 46 4.866 8.120 -3.332
333 HG3 MET 46 HG1 MET 46 4.493 9.332 -4.558
334 HE1 MET 46 HE1 MET 46 2.098 10.625 -4.599
335 HE2 MET 46 HE2 MET 46 0.795 10.284 -3.461
336 HE3 MET 46 HE3 MET 46 1.270 9.069 -4.648
337 H GLU 47 HN GLU 47 4.603 4.871 -5.749
338 HA GLU 47 HA GLU 47 3.062 4.281 -7.963
339 HB2 GLU 47 HB2 GLU 47 5.483 4.212 -7.743
340 HB3 GLU 47 HB1 GLU 47 5.373 2.806 -6.712
341 HG2 GLU 47 HG2 GLU 47 6.042 2.199 -9.003
342 HG3 GLU 47 HG1 GLU 47 4.530 1.442 -8.517
343 H THR 48 HN THR 48 3.655 2.411 -5.029
344 HA THR 48 HA THR 48 2.072 0.164 -5.544
345 HB THR 48 HB THR 48 2.732 1.554 -2.932
346 HG1 THR 48 HG1 THR 48 4.595 0.798 -3.993
347 HG21 THR 48 HG21 THR 48 1.702 -1.249 -3.402
348 HG22 THR 48 HG22 THR 48 0.815 0.068 -2.622
349 HG23 THR 48 HG23 THR 48 2.265 -0.601 -1.862
350 H ALA 49 HN ALA 49 1.290 3.082 -3.623
351 HA ALA 49 HA ALA 49 -1.351 2.498 -3.037
352 HB1 ALA 49 HB1 ALA 49 -0.129 5.232 -3.411
353 HB2 ALA 49 HB2 ALA 49 -0.060 4.265 -1.935
354 HB3 ALA 49 HB3 ALA 49 -1.611 4.863 -2.523
355 H ALA 50 HN ALA 50 -0.076 4.445 -5.716
356 HA ALA 50 HA ALA 50 -2.465 5.280 -6.855
357 HB1 ALA 50 HB1 ALA 50 -0.264 6.183 -7.447
358 HB2 ALA 50 HB2 ALA 50 -1.189 5.710 -8.873
359 HB3 ALA 50 HB3 ALA 50 0.118 4.681 -8.289
360 H ARG 51 HN ARG 51 -0.810 2.274 -7.169
361 HA ARG 51 HA ARG 51 -2.168 1.346 -9.486
362 HB2 ARG 51 HB2 ARG 51 0.046 0.554 -8.613
363 HB3 ARG 51 HB1 ARG 51 -0.820 -0.263 -7.325
364 HG2 ARG 51 HG2 ARG 51 -1.791 -1.788 -8.813
365 HG3 ARG 51 HG1 ARG 51 -1.342 -0.816 -10.222
366 HD2 ARG 51 HD2 ARG 51 0.549 -2.238 -8.351
367 HD3 ARG 51 HD1 ARG 51 0.169 -2.704 -10.011
368 HE ARG 51 HE ARG 51 1.200 -0.015 -9.722
369 HH11 ARG 51 HH11 ARG 51 2.046 -3.419 -10.388
370 HH12 ARG 51 HH12 ARG 51 3.545 -3.029 -11.061
371 HH21 ARG 51 HH21 ARG 51 3.361 0.500 -10.634
372 HH22 ARG 51 HH22 ARG 51 4.331 -0.796 -11.133
373 H LEU 52 HN LEU 52 -2.632 0.997 -6.033
374 HA LEU 52 HA LEU 52 -4.905 -0.730 -6.264
375 HB2 LEU 52 HB2 LEU 52 -3.909 0.919 -3.942
376 HB3 LEU 52 HB1 LEU 52 -5.190 -0.271 -3.849
377 HG LEU 52 HG LEU 52 -2.306 -0.853 -4.528
378 HD11 LEU 52 HD11 LEU 52 -2.584 -0.203 -2.205
379 HD12 LEU 52 HD12 LEU 52 -2.232 -1.928 -2.341
380 HD13 LEU 52 HD13 LEU 52 -3.879 -1.388 -2.016
381 HD21 LEU 52 HD21 LEU 52 -4.637 -2.718 -4.063
382 HD22 LEU 52 HD22 LEU 52 -2.961 -3.205 -4.309
383 HD23 LEU 52 HD23 LEU 52 -3.847 -2.410 -5.609
384 H GLU 53 HN GLU 53 -4.392 2.713 -5.714
385 HA GLU 53 HA GLU 53 -7.020 3.539 -5.239
386 HB2 GLU 53 HB2 GLU 53 -4.963 5.128 -6.791
387 HB3 GLU 53 HB1 GLU 53 -6.418 5.660 -5.956
388 HG2 GLU 53 HG2 GLU 53 -5.491 5.295 -3.847
389 HG3 GLU 53 HG1 GLU 53 -4.074 4.487 -4.538
390 H SER 54 HN SER 54 -5.267 3.533 -8.319
391 HA SER 54 HA SER 54 -7.402 4.554 -9.851
392 HB2 SER 54 HB2 SER 54 -5.027 2.970 -10.841
393 HB3 SER 54 HB1 SER 54 -5.995 4.127 -11.756
394 HG SER 54 HG SER 54 -4.202 4.606 -9.620
395 H ARG 55 HN ARG 55 -6.441 1.285 -9.063
396 HA ARG 55 HA ARG 55 -8.103 0.127 -11.107
397 HB2 ARG 55 HB2 ARG 55 -6.004 -0.937 -10.565
398 HB3 ARG 55 HB1 ARG 55 -6.472 -1.100 -8.884
399 HG2 ARG 55 HG2 ARG 55 -8.188 -2.723 -9.523
400 HG3 ARG 55 HG1 ARG 55 -7.735 -2.533 -11.219
401 HD2 ARG 55 HD2 ARG 55 -5.545 -3.420 -10.805
402 HD3 ARG 55 HD1 ARG 55 -5.812 -3.394 -9.066
403 HE ARG 55 HE ARG 55 -7.767 -5.004 -10.242
404 HH11 ARG 55 HH11 ARG 55 -4.235 -5.130 -10.083
405 HH12 ARG 55 HH12 ARG 55 -4.170 -6.781 -9.621
406 HH21 ARG 55 HH21 ARG 55 -7.653 -7.320 -9.651
407 HH22 ARG 55 HH22 ARG 55 -6.115 -8.034 -9.437
408 H TYR 56 HN TYR 56 -8.361 0.716 -7.634
409 HA TYR 56 HA TYR 56 -10.858 -0.786 -7.693
410 HB2 TYR 56 HB2 TYR 56 -9.130 -0.056 -5.329
411 HB3 TYR 56 HB1 TYR 56 -10.696 -0.860 -5.199
412 HD1 TYR 56 HD2 TYR 56 -7.241 -1.228 -6.458
413 HD2 TYR 56 HD1 TYR 56 -10.947 -3.181 -5.724
414 HE1 TYR 56 HE2 TYR 56 -6.151 -3.413 -6.768
415 HE2 TYR 56 HE1 TYR 56 -9.872 -5.361 -6.023
416 HH TYR 56 HH TYR 56 -7.997 -6.349 -6.985
417 H GLY 57 HN GLY 57 -9.768 2.484 -7.321
418 HA2 GLY 57 HA2 GLY 57 -11.361 4.177 -7.817
419 HA3 GLY 57 HA1 GLY 57 -12.606 3.174 -7.098
420 H VAL 58 HN VAL 58 -9.463 4.204 -5.816
421 HA VAL 58 HA VAL 58 -10.913 5.837 -3.884
422 HB VAL 58 HB VAL 58 -9.456 5.203 -2.006
423 HG11 VAL 58 HG11 VAL 58 -11.544 4.001 -2.283
424 HG12 VAL 58 HG12 VAL 58 -10.278 2.962 -1.600
425 HG13 VAL 58 HG13 VAL 58 -10.696 2.836 -3.311
426 HG21 VAL 58 HG21 VAL 58 -8.355 3.077 -3.812
427 HG22 VAL 58 HG22 VAL 58 -7.958 3.322 -2.112
428 HG23 VAL 58 HG23 VAL 58 -7.478 4.532 -3.307
429 H SER 59 HN SER 59 -9.137 7.202 -2.569
430 HA SER 59 HA SER 59 -7.008 7.911 -4.364
431 HB2 SER 59 HB2 SER 59 -9.087 9.343 -4.842
432 HB3 SER 59 HB1 SER 59 -8.901 9.984 -3.214
433 HG SER 59 HG SER 59 -6.996 10.045 -5.283
434 H ILE 60 HN ILE 60 -5.259 8.103 -3.191
435 HA ILE 60 HA ILE 60 -5.506 8.497 -0.287
436 HB ILE 60 HB ILE 60 -3.202 7.249 -1.842
437 HG12 ILE 60 HG12 ILE 60 -5.126 5.759 -1.882
438 HG13 ILE 60 HG11 ILE 60 -3.892 5.102 -0.815
439 HG21 ILE 60 HG21 ILE 60 -2.300 6.583 0.364
440 HG22 ILE 60 HG22 ILE 60 -3.611 7.444 1.150
441 HG23 ILE 60 HG23 ILE 60 -2.422 8.331 0.202
442 HD11 ILE 60 HD11 ILE 60 -6.122 4.821 0.120
443 HD12 ILE 60 HD12 ILE 60 -6.386 6.564 0.046
444 HD13 ILE 60 HD13 ILE 60 -5.155 5.903 1.123
445 HA PRO 61 HA PRO 61 -4.062 12.647 -1.375
446 HB2 PRO 61 HB2 PRO 61 -3.604 12.524 1.575
447 HB3 PRO 61 HB1 PRO 61 -4.353 13.803 0.609
448 HG2 PRO 61 HG2 PRO 61 -5.880 12.185 2.027
449 HG3 PRO 61 HG1 PRO 61 -6.356 12.635 0.378
450 HD2 PRO 61 HD2 PRO 61 -5.185 10.084 1.384
451 HD3 PRO 61 HD1 PRO 61 -6.413 10.342 0.127
452 H ASP 62 HN ASP 62 -2.101 13.275 -1.907
453 HA ASP 62 HA ASP 62 0.196 11.715 -1.955
454 HB2 ASP 62 HB2 ASP 62 0.011 14.737 -1.967
455 HB3 ASP 62 HB1 ASP 62 1.474 13.842 -2.333
456 H ASP 63 HN ASP 63 -0.580 14.225 0.393
457 HA ASP 63 HA ASP 63 1.758 14.225 1.916
458 HB2 ASP 63 HB2 ASP 63 -1.050 14.626 2.955
459 HB3 ASP 63 HB1 ASP 63 0.437 15.208 3.684
460 H VAL 64 HN VAL 64 -1.193 12.349 2.240
461 HA VAL 64 HA VAL 64 -0.328 11.023 4.634
462 HB VAL 64 HB VAL 64 -2.713 10.382 2.865
463 HG11 VAL 64 HG11 VAL 64 -2.152 9.662 5.741
464 HG12 VAL 64 HG12 VAL 64 -2.129 8.556 4.368
465 HG13 VAL 64 HG13 VAL 64 -3.643 9.313 4.862
466 HG21 VAL 64 HG21 VAL 64 -4.031 11.706 4.461
467 HG22 VAL 64 HG22 VAL 64 -2.816 12.686 3.644
468 HG23 VAL 64 HG23 VAL 64 -2.548 12.156 5.305
469 H ALA 65 HN ALA 65 -0.491 10.287 1.205
470 HA ALA 65 HA ALA 65 0.067 7.547 1.285
471 HB1 ALA 65 HB1 ALA 65 0.773 7.793 -1.027
472 HB2 ALA 65 HB2 ALA 65 0.878 9.536 -0.827
473 HB3 ALA 65 HB3 ALA 65 -0.695 8.730 -0.733
474 H GLY 66 HN GLY 66 2.179 10.344 1.385
475 HA2 GLY 66 HA2 GLY 66 4.520 8.599 1.490
476 HA3 GLY 66 HA1 GLY 66 4.533 10.359 1.429
477 H ARG 67 HN ARG 67 2.317 9.145 3.656
478 HA ARG 67 HA ARG 67 4.194 9.714 5.857
479 HB2 ARG 67 HB2 ARG 67 2.371 11.402 5.446
480 HB3 ARG 67 HB1 ARG 67 1.212 10.160 5.879
481 HG2 ARG 67 HG2 ARG 67 2.247 10.021 8.113
482 HG3 ARG 67 HG1 ARG 67 3.334 11.338 7.659
483 HD2 ARG 67 HD2 ARG 67 1.337 12.740 7.204
484 HD3 ARG 67 HD1 ARG 67 0.328 11.434 7.828
485 HE ARG 67 HE ARG 67 2.377 12.826 9.402
486 HH11 ARG 67 HH11 ARG 67 -0.861 11.369 9.141
487 HH12 ARG 67 HH12 ARG 67 -1.330 11.771 10.723
488 HH21 ARG 67 HH21 ARG 67 1.730 13.341 11.609
489 HH22 ARG 67 HH22 ARG 67 0.188 12.876 12.175
490 H VAL 68 HN VAL 68 1.920 7.472 4.525
491 HA VAL 68 HA VAL 68 1.263 6.029 6.824
492 HB VAL 68 HB VAL 68 0.859 4.059 5.231
493 HG11 VAL 68 HG11 VAL 68 -0.419 6.707 4.608
494 HG12 VAL 68 HG12 VAL 68 -0.893 5.590 5.887
495 HG13 VAL 68 HG13 VAL 68 -1.086 5.129 4.196
496 HG21 VAL 68 HG21 VAL 68 2.454 4.657 3.448
497 HG22 VAL 68 HG22 VAL 68 1.541 6.143 3.150
498 HG23 VAL 68 HG23 VAL 68 0.801 4.590 2.820
499 H ASP 69 HN ASP 69 2.607 5.300 8.201
500 HA ASP 69 HA ASP 69 5.309 4.632 7.620
501 HB2 ASP 69 HB2 ASP 69 4.624 5.636 9.762
502 HB3 ASP 69 HB1 ASP 69 3.723 4.180 10.149
503 H THR 70 HN THR 70 2.426 2.725 8.295
504 HA THR 70 HA THR 70 3.973 0.334 7.591
505 HB THR 70 HB THR 70 2.272 -0.927 8.909
506 HG1 THR 70 HG1 THR 70 1.525 1.557 10.041
507 HG21 THR 70 HG21 THR 70 4.411 -0.331 9.944
508 HG22 THR 70 HG22 THR 70 3.097 -0.262 11.133
509 HG23 THR 70 HG23 THR 70 3.732 1.226 10.427
510 HA PRO 71 HA PRO 71 1.139 -0.335 4.170
511 HB2 PRO 71 HB2 PRO 71 1.098 -3.191 5.000
512 HB3 PRO 71 HB1 PRO 71 1.573 -2.484 3.448
513 HG2 PRO 71 HG2 PRO 71 3.401 -3.461 5.105
514 HG3 PRO 71 HG1 PRO 71 3.709 -1.965 4.199
515 HD2 PRO 71 HD2 PRO 71 2.911 -2.317 7.061
516 HD3 PRO 71 HD1 PRO 71 4.113 -1.213 6.356
517 H ARG 72 HN ARG 72 0.586 -1.463 7.336
518 HA ARG 72 HA ARG 72 -2.036 -2.386 7.374
519 HB2 ARG 72 HB2 ARG 72 -0.451 -2.483 9.251
520 HB3 ARG 72 HB1 ARG 72 -0.535 -0.739 9.416
521 HG2 ARG 72 HG2 ARG 72 -2.989 -1.024 9.907
522 HG3 ARG 72 HG1 ARG 72 -2.678 -2.763 9.991
523 HD2 ARG 72 HD2 ARG 72 -2.569 -1.867 12.210
524 HD3 ARG 72 HD1 ARG 72 -0.935 -2.306 11.699
525 HE ARG 72 HE ARG 72 -1.904 0.445 11.428
526 HH11 ARG 72 HH11 ARG 72 0.573 -1.773 12.672
527 HH12 ARG 72 HH12 ARG 72 1.497 -0.554 13.406
528 HH21 ARG 72 HH21 ARG 72 -0.641 2.125 12.524
529 HH22 ARG 72 HH22 ARG 72 0.782 1.703 13.327
530 H GLU 73 HN GLU 73 -0.672 0.852 7.776
531 HA GLU 73 HA GLU 73 -3.145 2.166 8.135
532 HB2 GLU 73 HB2 GLU 73 -0.435 3.260 7.425
533 HB3 GLU 73 HB1 GLU 73 -1.803 4.222 7.954
534 HG2 GLU 73 HG2 GLU 73 -0.341 2.139 9.535
535 HG3 GLU 73 HG1 GLU 73 -0.292 3.881 9.771
536 H LEU 74 HN LEU 74 -1.150 1.504 5.333
537 HA LEU 74 HA LEU 74 -2.430 3.295 3.516
538 HB2 LEU 74 HB2 LEU 74 -0.215 1.779 3.262
539 HB3 LEU 74 HB1 LEU 74 -1.390 0.640 2.633
540 HG LEU 74 HG LEU 74 -0.899 3.354 1.417
541 HD11 LEU 74 HD11 LEU 74 1.083 1.978 1.245
542 HD12 LEU 74 HD12 LEU 74 0.303 2.143 -0.327
543 HD13 LEU 74 HD13 LEU 74 0.126 0.648 0.591
544 HD21 LEU 74 HD21 LEU 74 -3.122 2.424 0.924
545 HD22 LEU 74 HD22 LEU 74 -2.377 0.928 0.375
546 HD23 LEU 74 HD23 LEU 74 -2.100 2.432 -0.514
547 H LEU 75 HN LEU 75 -2.903 -0.086 4.403
548 HA LEU 75 HA LEU 75 -5.085 -0.613 2.711
549 HB2 LEU 75 HB2 LEU 75 -3.729 -2.358 3.784
550 HB3 LEU 75 HB1 LEU 75 -4.340 -1.875 5.350
551 HG LEU 75 HG LEU 75 -6.589 -2.583 4.716
552 HD11 LEU 75 HD11 LEU 75 -5.322 -3.460 2.120
553 HD12 LEU 75 HD12 LEU 75 -6.453 -2.123 2.328
554 HD13 LEU 75 HD13 LEU 75 -6.987 -3.772 2.625
555 HD21 LEU 75 HD21 LEU 75 -4.479 -4.682 4.208
556 HD22 LEU 75 HD22 LEU 75 -6.162 -4.993 4.635
557 HD23 LEU 75 HD23 LEU 75 -5.094 -4.187 5.785
558 H ASP 76 HN ASP 76 -4.841 0.578 6.006
559 HA ASP 76 HA ASP 76 -7.537 0.490 6.761
560 HB2 ASP 76 HB2 ASP 76 -5.813 0.883 8.409
561 HB3 ASP 76 HB1 ASP 76 -5.327 2.371 7.605
562 H LEU 77 HN LEU 77 -5.665 3.001 5.226
563 HA LEU 77 HA LEU 77 -7.566 5.006 4.963
564 HB2 LEU 77 HB2 LEU 77 -5.331 4.160 3.159
565 HB3 LEU 77 HB1 LEU 77 -6.264 5.606 2.901
566 HG LEU 77 HG LEU 77 -4.484 5.041 5.279
567 HD11 LEU 77 HD11 LEU 77 -3.092 6.778 4.317
568 HD12 LEU 77 HD12 LEU 77 -4.178 6.889 2.931
569 HD13 LEU 77 HD13 LEU 77 -3.265 5.407 3.222
570 HD21 LEU 77 HD21 LEU 77 -6.041 7.515 4.519
571 HD22 LEU 77 HD22 LEU 77 -4.918 7.366 5.870
572 HD23 LEU 77 HD23 LEU 77 -6.419 6.438 5.865
573 H ILE 78 HN ILE 78 -6.737 2.389 2.719
574 HA ILE 78 HA ILE 78 -8.731 3.192 0.873
575 HB ILE 78 HB ILE 78 -7.177 0.588 0.948
576 HG12 ILE 78 HG12 ILE 78 -6.759 3.175 -0.552
577 HG13 ILE 78 HG11 ILE 78 -5.675 2.431 0.621
578 HG21 ILE 78 HG21 ILE 78 -8.856 1.803 -1.244
579 HG22 ILE 78 HG22 ILE 78 -9.262 0.369 -0.302
580 HG23 ILE 78 HG23 ILE 78 -7.873 0.346 -1.392
581 HD11 ILE 78 HD11 ILE 78 -6.426 1.302 -2.038
582 HD12 ILE 78 HD12 ILE 78 -5.240 0.605 -0.918
583 HD13 ILE 78 HD13 ILE 78 -4.925 2.170 -1.717
584 H ASN 79 HN ASN 79 -8.590 0.839 3.435
585 HA ASN 79 HA ASN 79 -10.960 -0.552 2.964
586 HB2 ASN 79 HB2 ASN 79 -9.644 0.240 5.558
587 HB3 ASN 79 HB1 ASN 79 -11.108 -0.716 5.513
588 HD21 ASN 79 HD21 ASN 79 -10.244 -2.331 3.182
589 HD22 ASN 79 HD22 ASN 79 -9.021 -3.361 3.820
590 H GLY 80 HN GLY 80 -10.471 2.390 4.824
591 HA2 GLY 80 HA2 GLY 80 -13.200 2.793 5.398
592 HA3 GLY 80 HA1 GLY 80 -11.943 4.022 5.453
593 H ALA 81 HN ALA 81 -11.178 3.815 2.708
594 HA ALA 81 HA ALA 81 -13.089 5.631 1.639
595 HB1 ALA 81 HB1 ALA 81 -10.686 5.855 1.197
596 HB2 ALA 81 HB2 ALA 81 -11.613 5.748 -0.299
597 HB3 ALA 81 HB3 ALA 81 -10.716 4.346 0.285
598 H LEU 82 HN LEU 82 -12.168 2.309 0.867
599 HA LEU 82 HA LEU 82 -14.010 2.013 -1.252
600 HB2 LEU 82 HB2 LEU 82 -12.441 0.057 0.397
601 HB3 LEU 82 HB1 LEU 82 -13.617 -0.502 -0.762
602 HG LEU 82 HG LEU 82 -11.100 1.115 -1.450
603 HD11 LEU 82 HD11 LEU 82 -11.783 -1.764 -1.908
604 HD12 LEU 82 HD12 LEU 82 -10.622 -1.141 -0.737
605 HD13 LEU 82 HD13 LEU 82 -10.340 -0.920 -2.459
606 HD21 LEU 82 HD21 LEU 82 -13.197 -0.158 -3.225
607 HD22 LEU 82 HD22 LEU 82 -11.727 0.664 -3.753
608 HD23 LEU 82 HD23 LEU 82 -13.009 1.576 -2.958
609 H ALA 83 HN ALA 83 -14.229 1.569 2.211
610 HA ALA 83 HA ALA 83 -16.611 0.112 2.341
611 HB1 ALA 83 HB1 ALA 83 -16.818 0.960 4.618
612 HB2 ALA 83 HB2 ALA 83 -15.603 2.195 4.281
613 HB3 ALA 83 HB3 ALA 83 -15.151 0.489 4.278
614 H GLU 84 HN GLU 84 -16.025 3.527 1.818
615 HA GLU 84 HA GLU 84 -18.921 3.980 1.812
616 HB2 GLU 84 HB2 GLU 84 -16.715 6.035 1.661
617 HB3 GLU 84 HB1 GLU 84 -18.432 6.352 1.844
618 HG2 GLU 84 HG2 GLU 84 -18.353 5.182 4.033
619 HG3 GLU 84 HG1 GLU 84 -16.608 5.048 3.845
620 H ALA 85 HN ALA 85 -16.690 3.005 -0.311
621 HA ALA 85 HA ALA 85 -17.143 4.818 -2.474
622 HB1 ALA 85 HB1 ALA 85 -15.941 2.048 -2.535
623 HB2 ALA 85 HB2 ALA 85 -15.047 3.552 -2.313
624 HB3 ALA 85 HB3 ALA 85 -15.881 3.237 -3.836
625 H ALA 86 HN ALA 86 -18.736 4.848 -3.781
626 HA ALA 86 HA ALA 86 -20.636 2.632 -3.755
627 HB1 ALA 86 HB1 ALA 86 -21.548 4.837 -3.190
628 HB2 ALA 86 HB2 ALA 86 -22.224 4.250 -4.708
629 HB3 ALA 86 HB3 ALA 86 -20.956 5.477 -4.723
630 H28 SXM 87 H28A SXM 87 7.075 11.415 -1.607
631 H28A SXM 87 H28B SXM 87 8.106 12.728 -1.011
632 H30 SXM 87 H30A SXM 87 8.855 10.422 -3.762
633 H30A SXM 87 H30B SXM 87 8.269 11.452 -5.066
634 H30B SXM 87 H30C SXM 87 7.129 10.740 -3.923
635 H31 SXM 87 H31C SXM 87 6.215 12.990 -3.400
636 H31A SXM 87 H31A SXM 87 7.357 13.760 -4.502
637 H31B SXM 87 H31B SXM 87 7.286 14.269 -2.818
638 H32 SXM 87 H32A SXM 87 10.425 12.318 -2.877
639 HO33 SXM 87 H33A SXM 87 10.424 13.947 -1.635
640 HN36 SXM 87 H36A SXM 87 11.250 14.806 -3.687
641 H37 SXM 87 H37B SXM 87 11.184 16.069 -5.923
642 H37A SXM 87 H37A SXM 87 11.513 14.462 -6.592
643 H38 SXM 87 H38A SXM 87 13.242 15.964 -4.634
644 H38A SXM 87 H38B SXM 87 13.531 14.332 -5.197
645 HN41 SXM 87 H41A SXM 87 15.561 15.455 -5.609
646 H42 SXM 87 H42A SXM 87 15.956 15.871 -8.402
647 H42A SXM 87 H42B SXM 87 16.139 17.360 -7.482
648 H43 SXM 87 H43A SXM 87 17.711 14.816 -7.061
649 H43A SXM 87 H43B SXM 87 17.853 16.299 -6.094
650 H2 SXM 87 H2A SXM 87 18.620 20.216 -8.678
651 H2A SXM 87 H2B SXM 87 18.111 18.995 -9.826
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 -20.761 -5.266 3.402
2 H2 MET 1 HT2 MET 1 -19.348 -6.152 3.523
3 H3 MET 1 HT3 MET 1 -20.831 -6.958 3.556
4 HA MET 1 HA MET 1 -19.655 -7.152 1.445
5 HB2 MET 1 HB2 MET 1 -22.183 -5.486 1.321
6 HB3 MET 1 HB1 MET 1 -21.459 -6.271 -0.074
7 HG2 MET 1 HG2 MET 1 -22.547 -7.635 2.374
8 HG3 MET 1 HG1 MET 1 -23.304 -7.576 0.779
9 HE1 MET 1 HE1 MET 1 -22.190 -11.334 1.110
10 HE2 MET 1 HE2 MET 1 -23.541 -10.246 0.805
11 HE3 MET 1 HE3 MET 1 -22.783 -10.286 2.399
12 H ALA 2 HN ALA 2 -17.867 -6.285 0.851
13 HA ALA 2 HA ALA 2 -17.743 -3.807 -0.503
14 HB1 ALA 2 HB1 ALA 2 -17.672 -2.903 1.783
15 HB2 ALA 2 HB2 ALA 2 -16.115 -2.696 0.976
16 HB3 ALA 2 HB3 ALA 2 -16.328 -3.979 2.168
17 H THR 3 HN THR 3 -16.418 -4.373 -2.105
18 HA THR 3 HA THR 3 -14.555 -6.550 -1.834
19 HB THR 3 HB THR 3 -14.642 -4.615 -4.060
20 HG1 THR 3 HG1 THR 3 -16.522 -6.803 -3.909
21 HG21 THR 3 HG21 THR 3 -14.280 -6.666 -5.420
22 HG22 THR 3 HG22 THR 3 -14.338 -7.621 -3.936
23 HG23 THR 3 HG23 THR 3 -13.046 -6.448 -4.178
24 H LEU 4 HN LEU 4 -12.763 -6.095 -0.679
25 HA LEU 4 HA LEU 4 -11.495 -3.417 -0.900
26 HB2 LEU 4 HB2 LEU 4 -11.086 -5.438 1.289
27 HB3 LEU 4 HB1 LEU 4 -10.534 -3.782 1.256
28 HG LEU 4 HG LEU 4 -13.332 -4.738 1.513
29 HD11 LEU 4 HD11 LEU 4 -12.059 -5.151 3.494
30 HD12 LEU 4 HD12 LEU 4 -13.189 -3.830 3.790
31 HD13 LEU 4 HD13 LEU 4 -11.482 -3.487 3.505
32 HD21 LEU 4 HD21 LEU 4 -13.914 -2.387 1.970
33 HD22 LEU 4 HD22 LEU 4 -13.293 -2.619 0.336
34 HD23 LEU 4 HD23 LEU 4 -12.256 -1.927 1.582
35 H LEU 5 HN LEU 5 -9.150 -3.513 -0.536
36 HA LEU 5 HA LEU 5 -7.868 -5.674 -1.904
37 HB2 LEU 5 HB2 LEU 5 -6.777 -3.302 -0.327
38 HB3 LEU 5 HB1 LEU 5 -5.781 -4.486 -1.159
39 HG LEU 5 HG LEU 5 -7.745 -2.602 -2.442
40 HD11 LEU 5 HD11 LEU 5 -4.734 -2.617 -2.379
41 HD12 LEU 5 HD12 LEU 5 -5.779 -1.476 -1.534
42 HD13 LEU 5 HD13 LEU 5 -5.742 -1.499 -3.296
43 HD21 LEU 5 HD21 LEU 5 -6.756 -3.385 -4.523
44 HD22 LEU 5 HD22 LEU 5 -7.528 -4.704 -3.647
45 HD23 LEU 5 HD23 LEU 5 -5.771 -4.539 -3.626
46 H THR 6 HN THR 6 -7.325 -7.532 -0.866
47 HA THR 6 HA THR 6 -7.667 -7.636 1.986
48 HB THR 6 HB THR 6 -7.088 -10.028 1.731
49 HG1 THR 6 HG1 THR 6 -6.971 -9.556 -1.067
50 HG21 THR 6 HG21 THR 6 -9.416 -9.331 1.389
51 HG22 THR 6 HG22 THR 6 -9.007 -10.683 0.334
52 HG23 THR 6 HG23 THR 6 -9.087 -9.047 -0.320
53 H THR 7 HN THR 7 -5.683 -9.268 2.904
54 HA THR 7 HA THR 7 -3.432 -7.533 2.912
55 HB THR 7 HB THR 7 -3.600 -10.372 3.961
56 HG1 THR 7 HG1 THR 7 -4.017 -8.448 5.820
57 HG21 THR 7 HG21 THR 7 -1.355 -9.342 3.956
58 HG22 THR 7 HG22 THR 7 -1.953 -9.539 5.604
59 HG23 THR 7 HG23 THR 7 -1.995 -7.952 4.829
60 H ASP 8 HN ASP 8 -4.501 -10.263 1.145
61 HA ASP 8 HA ASP 8 -1.954 -11.069 0.112
62 HB2 ASP 8 HB2 ASP 8 -3.890 -12.613 0.306
63 HB3 ASP 8 HB1 ASP 8 -4.725 -11.673 -0.925
64 H ASP 9 HN ASP 9 -4.741 -9.253 -1.045
65 HA ASP 9 HA ASP 9 -3.769 -8.557 -3.608
66 HB2 ASP 9 HB2 ASP 9 -5.650 -6.985 -1.819
67 HB3 ASP 9 HB1 ASP 9 -5.294 -6.558 -3.481
68 H LEU 10 HN LEU 10 -3.556 -6.954 -0.480
69 HA LEU 10 HA LEU 10 -2.107 -4.693 -1.222
70 HB2 LEU 10 HB2 LEU 10 -3.156 -4.994 0.974
71 HB3 LEU 10 HB1 LEU 10 -2.023 -6.271 1.353
72 HG LEU 10 HG LEU 10 -0.182 -4.579 1.222
73 HD11 LEU 10 HD11 LEU 10 -0.769 -2.213 1.359
74 HD12 LEU 10 HD12 LEU 10 -2.463 -2.621 1.081
75 HD13 LEU 10 HD13 LEU 10 -1.264 -2.929 -0.175
76 HD21 LEU 10 HD21 LEU 10 -2.376 -4.082 3.231
77 HD22 LEU 10 HD22 LEU 10 -0.699 -3.560 3.397
78 HD23 LEU 10 HD23 LEU 10 -1.084 -5.281 3.360
79 H ARG 11 HN ARG 11 -0.972 -7.795 0.074
80 HA ARG 11 HA ARG 11 1.739 -7.451 0.050
81 HB2 ARG 11 HB2 ARG 11 0.697 -9.425 0.995
82 HB3 ARG 11 HB1 ARG 11 0.170 -9.955 -0.593
83 HG2 ARG 11 HG2 ARG 11 2.444 -10.358 -1.264
84 HG3 ARG 11 HG1 ARG 11 3.046 -9.675 0.248
85 HD2 ARG 11 HD2 ARG 11 3.101 -12.108 0.294
86 HD3 ARG 11 HD1 ARG 11 1.973 -11.483 1.494
87 HE ARG 11 HE ARG 11 0.293 -11.990 -0.434
88 HH11 ARG 11 HH11 ARG 11 3.109 -14.008 0.464
89 HH12 ARG 11 HH12 ARG 11 2.318 -15.467 0.129
90 HH21 ARG 11 HH21 ARG 11 -0.748 -14.080 -0.958
91 HH22 ARG 11 HH22 ARG 11 0.173 -15.496 -0.770
92 H ARG 12 HN ARG 12 -0.098 -8.926 -2.621
93 HA ARG 12 HA ARG 12 2.100 -9.216 -4.324
94 HB2 ARG 12 HB2 ARG 12 -0.841 -9.056 -4.908
95 HB3 ARG 12 HB1 ARG 12 0.355 -9.325 -6.169
96 HG2 ARG 12 HG2 ARG 12 -0.012 -11.084 -3.751
97 HG3 ARG 12 HG1 ARG 12 -0.678 -11.410 -5.353
98 HD2 ARG 12 HD2 ARG 12 2.276 -11.170 -4.677
99 HD3 ARG 12 HD1 ARG 12 1.390 -12.661 -5.006
100 HE ARG 12 HE ARG 12 1.047 -11.863 -7.249
101 HH11 ARG 12 HH11 ARG 12 3.714 -10.419 -5.355
102 HH12 ARG 12 HH12 ARG 12 4.444 -9.730 -6.741
103 HH21 ARG 12 HH21 ARG 12 2.260 -10.930 -9.149
104 HH22 ARG 12 HH22 ARG 12 3.686 -10.046 -8.802
105 H ALA 13 HN ALA 13 -0.278 -6.590 -4.260
106 HA ALA 13 HA ALA 13 0.836 -5.234 -6.467
107 HB1 ALA 13 HB1 ALA 13 -0.873 -4.130 -4.254
108 HB2 ALA 13 HB2 ALA 13 -1.461 -4.910 -5.721
109 HB3 ALA 13 HB3 ALA 13 -0.584 -3.382 -5.823
110 H LEU 14 HN LEU 14 1.454 -5.072 -3.024
111 HA LEU 14 HA LEU 14 2.993 -2.705 -2.992
112 HB2 LEU 14 HB2 LEU 14 1.950 -3.883 -1.019
113 HB3 LEU 14 HB1 LEU 14 3.201 -5.094 -1.152
114 HG LEU 14 HG LEU 14 4.888 -3.312 -0.721
115 HD11 LEU 14 HD11 LEU 14 4.121 -1.193 0.218
116 HD12 LEU 14 HD12 LEU 14 2.451 -1.645 -0.128
117 HD13 LEU 14 HD13 LEU 14 3.591 -1.396 -1.452
118 HD21 LEU 14 HD21 LEU 14 4.421 -3.156 1.675
119 HD22 LEU 14 HD22 LEU 14 4.113 -4.779 1.059
120 HD23 LEU 14 HD23 LEU 14 2.765 -3.692 1.388
121 H VAL 15 HN VAL 15 3.794 -6.123 -3.235
122 HA VAL 15 HA VAL 15 6.591 -5.950 -3.379
123 HB VAL 15 HB VAL 15 4.748 -7.995 -4.676
124 HG11 VAL 15 HG11 VAL 15 6.987 -8.065 -5.648
125 HG12 VAL 15 HG12 VAL 15 6.688 -9.488 -4.654
126 HG13 VAL 15 HG13 VAL 15 7.692 -8.175 -4.036
127 HG21 VAL 15 HG21 VAL 15 5.240 -9.368 -2.715
128 HG22 VAL 15 HG22 VAL 15 4.440 -7.858 -2.273
129 HG23 VAL 15 HG23 VAL 15 6.179 -8.043 -2.026
130 H GLU 16 HN GLU 16 4.205 -6.253 -5.998
131 HA GLU 16 HA GLU 16 5.796 -6.096 -8.219
132 HB2 GLU 16 HB2 GLU 16 3.066 -4.929 -7.794
133 HB3 GLU 16 HB1 GLU 16 3.854 -5.014 -9.355
134 HG2 GLU 16 HG2 GLU 16 3.863 -7.436 -9.224
135 HG3 GLU 16 HG1 GLU 16 3.118 -7.357 -7.626
136 H SER 17 HN SER 17 4.351 -3.361 -6.492
137 HA SER 17 HA SER 17 5.411 -1.488 -8.396
138 HB2 SER 17 HB2 SER 17 3.941 -0.900 -5.850
139 HB3 SER 17 HB1 SER 17 4.015 0.083 -7.312
140 HG SER 17 HG SER 17 2.543 -2.167 -6.704
141 H ALA 18 HN ALA 18 6.704 -2.964 -5.691
142 HA ALA 18 HA ALA 18 7.986 -0.881 -4.294
143 HB1 ALA 18 HB1 ALA 18 9.451 -2.595 -3.393
144 HB2 ALA 18 HB2 ALA 18 8.918 -3.723 -4.638
145 HB3 ALA 18 HB3 ALA 18 7.781 -3.158 -3.416
146 H GLY 19 HN GLY 19 8.853 -2.596 -7.190
147 HA2 GLY 19 HA2 GLY 19 10.613 -0.508 -7.941
148 HA3 GLY 19 HA1 GLY 19 11.497 -1.949 -7.450
149 H GLU 20 HN GLU 20 11.967 -3.266 -8.961
150 HA GLU 20 HA GLU 20 10.852 -2.861 -11.604
151 HB2 GLU 20 HB2 GLU 20 13.275 -2.976 -11.238
152 HB3 GLU 20 HB1 GLU 20 13.098 -4.626 -10.666
153 HG2 GLU 20 HG2 GLU 20 12.283 -5.285 -12.881
154 HG3 GLU 20 HG1 GLU 20 12.513 -3.626 -13.441
155 H THR 21 HN THR 21 8.779 -3.718 -11.074
156 HA THR 21 HA THR 21 7.132 -5.243 -10.944
157 HB THR 21 HB THR 21 8.845 -6.839 -12.858
158 HG1 THR 21 HG1 THR 21 7.685 -5.410 -14.418
159 HG21 THR 21 HG21 THR 21 5.849 -6.428 -12.595
160 HG22 THR 21 HG22 THR 21 6.724 -7.885 -12.132
161 HG23 THR 21 HG23 THR 21 6.646 -7.403 -13.827
162 H ASP 22 HN ASP 22 7.448 -5.717 -8.863
163 HA ASP 22 HA ASP 22 7.413 -7.060 -7.094
164 HB2 ASP 22 HB2 ASP 22 8.344 -9.355 -8.888
165 HB3 ASP 22 HB1 ASP 22 7.921 -9.507 -7.186
166 H GLY 23 HN GLY 23 8.814 -5.696 -6.344
167 HA2 GLY 23 HA2 GLY 23 11.670 -6.211 -6.668
168 HA3 GLY 23 HA1 GLY 23 10.903 -4.793 -5.933
169 H THR 24 HN THR 24 10.177 -4.894 -3.833
170 HA THR 24 HA THR 24 11.526 -6.726 -2.096
171 HB THR 24 HB THR 24 9.601 -4.452 -1.533
172 HG1 THR 24 HG1 THR 24 12.411 -4.568 -1.894
173 HG21 THR 24 HG21 THR 24 11.758 -5.746 0.167
174 HG22 THR 24 HG22 THR 24 10.020 -5.954 0.384
175 HG23 THR 24 HG23 THR 24 10.756 -4.373 0.649
176 H ASP 25 HN ASP 25 10.523 -8.695 -2.032
177 HA ASP 25 HA ASP 25 7.651 -8.920 -2.208
178 HB2 ASP 25 HB2 ASP 25 8.817 -10.617 -3.377
179 HB3 ASP 25 HB1 ASP 25 9.853 -10.963 -1.999
180 H LEU 26 HN LEU 26 6.482 -8.543 -0.521
181 HA LEU 26 HA LEU 26 7.482 -9.128 2.146
182 HB2 LEU 26 HB2 LEU 26 5.124 -7.495 1.212
183 HB3 LEU 26 HB1 LEU 26 5.330 -7.957 2.880
184 HG LEU 26 HG LEU 26 6.031 -5.740 2.694
185 HD11 LEU 26 HD11 LEU 26 8.379 -5.807 3.320
186 HD12 LEU 26 HD12 LEU 26 8.462 -7.477 2.746
187 HD13 LEU 26 HD13 LEU 26 7.413 -7.060 4.105
188 HD21 LEU 26 HD21 LEU 26 7.744 -4.948 1.129
189 HD22 LEU 26 HD22 LEU 26 6.322 -5.576 0.296
190 HD23 LEU 26 HD23 LEU 26 7.791 -6.548 0.388
191 H SER 27 HN SER 27 7.196 -11.392 1.295
192 HA SER 27 HA SER 27 4.475 -12.324 1.633
193 HB2 SER 27 HB2 SER 27 6.012 -13.308 -0.121
194 HB3 SER 27 HB1 SER 27 6.957 -13.989 1.202
195 HG SER 27 HG SER 27 5.626 -15.578 0.936
196 H GLY 28 HN GLY 28 3.754 -12.479 3.611
197 HA2 GLY 28 HA2 GLY 28 4.206 -14.117 5.554
198 HA3 GLY 28 HA1 GLY 28 5.595 -13.056 5.792
199 H ASP 29 HN ASP 29 4.633 -12.569 7.863
200 HA ASP 29 HA ASP 29 2.220 -10.939 7.771
201 HB2 ASP 29 HB2 ASP 29 2.676 -12.707 9.560
202 HB3 ASP 29 HB1 ASP 29 3.928 -11.639 10.175
203 H PHE 30 HN PHE 30 2.740 -9.016 6.896
204 HA PHE 30 HA PHE 30 5.244 -7.676 7.746
205 HB2 PHE 30 HB2 PHE 30 5.329 -6.691 5.510
206 HB3 PHE 30 HB1 PHE 30 5.291 -8.445 5.430
207 HD1 PHE 30 HD2 PHE 30 3.113 -9.583 4.800
208 HD2 PHE 30 HD1 PHE 30 3.673 -5.385 4.419
209 HE1 PHE 30 HE2 PHE 30 1.196 -9.469 3.270
210 HE2 PHE 30 HE1 PHE 30 1.755 -5.270 2.888
211 HZ PHE 30 HZ PHE 30 0.516 -7.309 2.312
212 H LEU 31 HN LEU 31 2.340 -7.307 8.767
213 HA LEU 31 HA LEU 31 1.659 -4.700 7.724
214 HB2 LEU 31 HB2 LEU 31 0.330 -6.357 9.866
215 HB3 LEU 31 HB1 LEU 31 -0.267 -4.821 9.289
216 HG LEU 31 HG LEU 31 -1.584 -6.470 8.309
217 HD11 LEU 31 HD11 LEU 31 -1.212 -6.220 5.905
218 HD12 LEU 31 HD12 LEU 31 0.381 -5.543 6.249
219 HD13 LEU 31 HD13 LEU 31 -1.069 -4.706 6.797
220 HD21 LEU 31 HD21 LEU 31 -0.737 -8.358 6.965
221 HD22 LEU 31 HD22 LEU 31 -0.207 -8.441 8.644
222 HD23 LEU 31 HD23 LEU 31 0.912 -7.902 7.394
223 H ASP 32 HN ASP 32 3.228 -5.989 10.506
224 HA ASP 32 HA ASP 32 2.946 -3.527 12.027
225 HB2 ASP 32 HB2 ASP 32 4.072 -4.593 13.868
226 HB3 ASP 32 HB1 ASP 32 2.921 -5.738 13.208
227 H LEU 33 HN LEU 33 5.184 -4.782 9.806
228 HA LEU 33 HA LEU 33 7.343 -3.173 10.853
229 HB2 LEU 33 HB2 LEU 33 8.702 -4.044 8.973
230 HB3 LEU 33 HB1 LEU 33 8.054 -5.300 9.999
231 HG LEU 33 HG LEU 33 6.296 -5.699 8.252
232 HD11 LEU 33 HD11 LEU 33 6.472 -4.648 6.128
233 HD12 LEU 33 HD12 LEU 33 8.068 -3.990 6.593
234 HD13 LEU 33 HD13 LEU 33 6.624 -3.450 7.459
235 HD21 LEU 33 HD21 LEU 33 8.303 -7.096 8.410
236 HD22 LEU 33 HD22 LEU 33 9.170 -5.964 7.370
237 HD23 LEU 33 HD23 LEU 33 7.802 -6.878 6.733
238 H ARG 34 HN ARG 34 8.550 -1.610 9.588
239 HA ARG 34 HA ARG 34 6.548 0.211 8.514
240 HB2 ARG 34 HB2 ARG 34 9.414 0.618 9.342
241 HB3 ARG 34 HB1 ARG 34 8.362 1.871 8.718
242 HG2 ARG 34 HG2 ARG 34 6.917 1.613 10.663
243 HG3 ARG 34 HG1 ARG 34 7.992 0.350 11.281
244 HD2 ARG 34 HD2 ARG 34 9.810 1.883 11.458
245 HD3 ARG 34 HD1 ARG 34 8.904 3.135 10.611
246 HE ARG 34 HE ARG 34 7.828 2.150 13.123
247 HH11 ARG 34 HH11 ARG 34 9.597 4.697 11.415
248 HH12 ARG 34 HH12 ARG 34 9.193 5.925 12.525
249 HH21 ARG 34 HH21 ARG 34 7.319 3.733 14.631
250 HH22 ARG 34 HH22 ARG 34 7.852 5.364 14.473
251 H PHE 35 HN PHE 35 7.081 1.413 6.629
252 HA PHE 35 HA PHE 35 8.165 -0.177 4.546
253 HB2 PHE 35 HB2 PHE 35 7.317 2.713 4.602
254 HB3 PHE 35 HB1 PHE 35 7.972 1.948 3.161
255 HD1 PHE 35 HD2 PHE 35 6.782 -0.369 2.586
256 HD2 PHE 35 HD1 PHE 35 5.037 2.808 4.800
257 HE1 PHE 35 HE2 PHE 35 4.548 -1.191 1.995
258 HE2 PHE 35 HE1 PHE 35 2.802 1.990 4.212
259 HZ PHE 35 HZ PHE 35 2.552 -0.012 2.807
260 H GLU 36 HN GLU 36 9.447 2.315 6.605
261 HA GLU 36 HA GLU 36 11.813 2.752 5.155
262 HB2 GLU 36 HB2 GLU 36 12.750 3.739 7.174
263 HB3 GLU 36 HB1 GLU 36 11.097 4.276 6.946
264 HG2 GLU 36 HG2 GLU 36 10.331 2.779 8.683
265 HG3 GLU 36 HG1 GLU 36 11.950 2.102 8.843
266 H ASP 37 HN ASP 37 10.886 0.180 7.317
267 HA ASP 37 HA ASP 37 13.524 -0.819 7.827
268 HB2 ASP 37 HB2 ASP 37 10.889 -2.325 7.880
269 HB3 ASP 37 HB1 ASP 37 12.420 -2.957 8.456
270 H ILE 38 HN ILE 38 11.062 -1.424 5.472
271 HA ILE 38 HA ILE 38 12.711 -3.436 4.188
272 HB ILE 38 HB ILE 38 10.679 -3.849 2.745
273 HG12 ILE 38 HG12 ILE 38 9.403 -1.993 4.779
274 HG13 ILE 38 HG11 ILE 38 9.599 -1.656 3.067
275 HG21 ILE 38 HG21 ILE 38 10.427 -4.156 5.733
276 HG22 ILE 38 HG22 ILE 38 11.271 -5.251 4.641
277 HG23 ILE 38 HG23 ILE 38 9.515 -5.075 4.533
278 HD11 ILE 38 HD11 ILE 38 7.316 -2.293 3.592
279 HD12 ILE 38 HD12 ILE 38 7.883 -3.821 4.264
280 HD13 ILE 38 HD13 ILE 38 8.070 -3.493 2.542
281 H GLY 39 HN GLY 39 13.244 -0.544 4.063
282 HA2 GLY 39 HA2 GLY 39 14.264 0.878 2.578
283 HA3 GLY 39 HA1 GLY 39 14.479 -0.530 1.563
284 H TYR 40 HN TYR 40 11.349 0.839 2.444
285 HA TYR 40 HA TYR 40 10.781 1.181 -0.359
286 HB2 TYR 40 HB2 TYR 40 9.149 1.187 2.101
287 HB3 TYR 40 HB1 TYR 40 8.576 2.174 0.767
288 HD1 TYR 40 HD1 TYR 40 9.986 -1.239 1.279
289 HD2 TYR 40 HD2 TYR 40 7.043 1.164 -0.609
290 HE1 TYR 40 HE1 TYR 40 9.021 -3.248 0.270
291 HE2 TYR 40 HE2 TYR 40 6.065 -0.829 -1.640
292 HH TYR 40 HH TYR 40 6.944 -4.030 -0.754
293 H ASP 41 HN ASP 41 11.366 2.838 -1.359
294 HA ASP 41 HA ASP 41 11.761 5.422 -0.177
295 HB2 ASP 41 HB2 ASP 41 13.088 4.708 -2.133
296 HB3 ASP 41 HB1 ASP 41 11.613 4.534 -3.078
297 H SER 42 HN SER 42 10.391 7.256 -0.541
298 HA SER 42 HA SER 42 7.681 6.792 -0.332
299 HB2 SER 42 HB2 SER 42 7.615 9.273 -1.046
300 HB3 SER 42 HB1 SER 42 8.284 8.847 0.522
301 H LEU 43 HN LEU 43 9.605 7.450 -3.244
302 HA LEU 43 HA LEU 43 7.322 8.041 -4.836
303 HB2 LEU 43 HB2 LEU 43 9.683 8.741 -5.377
304 HB3 LEU 43 HB1 LEU 43 10.044 7.082 -5.773
305 HG LEU 43 HG LEU 43 9.718 8.607 -7.734
306 HD11 LEU 43 HD11 LEU 43 8.339 7.117 -9.082
307 HD12 LEU 43 HD12 LEU 43 7.786 6.307 -7.614
308 HD13 LEU 43 HD13 LEU 43 9.485 6.232 -8.076
309 HD21 LEU 43 HD21 LEU 43 7.945 10.004 -6.860
310 HD22 LEU 43 HD22 LEU 43 6.840 8.630 -6.841
311 HD23 LEU 43 HD23 LEU 43 7.443 9.254 -8.377
312 H ALA 44 HN ALA 44 9.125 5.113 -4.146
313 HA ALA 44 HA ALA 44 7.665 3.452 -5.946
314 HB1 ALA 44 HB1 ALA 44 9.870 2.796 -5.053
315 HB2 ALA 44 HB2 ALA 44 8.650 1.568 -4.737
316 HB3 ALA 44 HB3 ALA 44 9.168 2.649 -3.442
317 H LEU 45 HN LEU 45 7.258 4.418 -2.621
318 HA LEU 45 HA LEU 45 5.085 2.723 -2.010
319 HB2 LEU 45 HB2 LEU 45 6.446 3.841 -0.305
320 HB3 LEU 45 HB1 LEU 45 5.873 5.400 -0.855
321 HG LEU 45 HG LEU 45 3.627 4.887 -0.060
322 HD11 LEU 45 HD11 LEU 45 4.822 2.271 0.855
323 HD12 LEU 45 HD12 LEU 45 3.650 2.472 -0.446
324 HD13 LEU 45 HD13 LEU 45 3.196 2.851 1.215
325 HD21 LEU 45 HD21 LEU 45 5.778 4.338 1.980
326 HD22 LEU 45 HD22 LEU 45 4.129 4.852 2.337
327 HD23 LEU 45 HD23 LEU 45 5.219 5.930 1.464
328 H MET 46 HN MET 46 5.291 6.052 -3.184
329 HA MET 46 HA MET 46 2.573 6.695 -3.466
330 HB2 MET 46 HB2 MET 46 4.900 7.485 -5.225
331 HB3 MET 46 HB1 MET 46 3.314 8.227 -5.278
332 HG2 MET 46 HG2 MET 46 5.134 8.229 -2.904
333 HG3 MET 46 HG1 MET 46 5.048 9.505 -4.106
334 HE1 MET 46 HE1 MET 46 3.374 11.097 -0.935
335 HE2 MET 46 HE2 MET 46 4.638 11.262 -2.153
336 HE3 MET 46 HE3 MET 46 4.724 9.965 -0.961
337 H GLU 47 HN GLU 47 4.854 5.243 -5.707
338 HA GLU 47 HA GLU 47 3.228 4.883 -7.927
339 HB2 GLU 47 HB2 GLU 47 5.663 4.722 -7.824
340 HB3 GLU 47 HB1 GLU 47 5.541 3.230 -6.926
341 HG2 GLU 47 HG2 GLU 47 6.066 2.726 -9.228
342 HG3 GLU 47 HG1 GLU 47 4.455 2.136 -8.836
343 H THR 48 HN THR 48 3.643 2.923 -5.061
344 HA THR 48 HA THR 48 2.076 0.716 -5.922
345 HB THR 48 HB THR 48 2.679 1.671 -3.096
346 HG1 THR 48 HG1 THR 48 4.611 1.224 -4.354
347 HG21 THR 48 HG21 THR 48 2.289 -0.677 -2.478
348 HG22 THR 48 HG22 THR 48 1.893 -1.053 -4.154
349 HG23 THR 48 HG23 THR 48 0.852 0.026 -3.223
350 H ALA 49 HN ALA 49 1.417 3.379 -3.627
351 HA ALA 49 HA ALA 49 -1.266 2.824 -3.162
352 HB1 ALA 49 HB1 ALA 49 0.104 5.505 -3.019
353 HB2 ALA 49 HB2 ALA 49 0.108 4.283 -1.746
354 HB3 ALA 49 HB3 ALA 49 -1.403 5.059 -2.220
355 H ALA 50 HN ALA 50 0.121 5.166 -5.465
356 HA ALA 50 HA ALA 50 -2.282 6.194 -6.451
357 HB1 ALA 50 HB1 ALA 50 0.346 5.948 -7.906
358 HB2 ALA 50 HB2 ALA 50 -0.104 7.253 -6.808
359 HB3 ALA 50 HB3 ALA 50 -0.978 7.036 -8.325
360 H ARG 51 HN ARG 51 -0.478 3.367 -7.359
361 HA ARG 51 HA ARG 51 -1.897 2.766 -9.736
362 HB2 ARG 51 HB2 ARG 51 0.280 1.782 -9.178
363 HB3 ARG 51 HB1 ARG 51 -0.438 0.945 -7.815
364 HG2 ARG 51 HG2 ARG 51 -1.817 -0.358 -9.353
365 HG3 ARG 51 HG1 ARG 51 -1.071 0.484 -10.720
366 HD2 ARG 51 HD2 ARG 51 1.115 -0.336 -10.026
367 HD3 ARG 51 HD1 ARG 51 0.376 -1.166 -8.662
368 HE ARG 51 HE ARG 51 -0.632 -1.868 -11.272
369 HH11 ARG 51 HH11 ARG 51 1.806 -2.572 -8.791
370 HH12 ARG 51 HH12 ARG 51 1.902 -4.235 -9.208
371 HH21 ARG 51 HH21 ARG 51 -0.420 -4.205 -11.826
372 HH22 ARG 51 HH22 ARG 51 0.686 -5.128 -10.898
373 H LEU 52 HN LEU 52 -2.192 1.791 -6.385
374 HA LEU 52 HA LEU 52 -4.372 0.045 -6.707
375 HB2 LEU 52 HB2 LEU 52 -3.469 1.588 -4.279
376 HB3 LEU 52 HB1 LEU 52 -4.655 0.299 -4.261
377 HG LEU 52 HG LEU 52 -1.763 -0.017 -5.051
378 HD11 LEU 52 HD11 LEU 52 -3.213 -0.852 -2.545
379 HD12 LEU 52 HD12 LEU 52 -2.011 0.431 -2.670
380 HD13 LEU 52 HD13 LEU 52 -1.544 -1.248 -2.954
381 HD21 LEU 52 HD21 LEU 52 -3.959 -2.052 -4.683
382 HD22 LEU 52 HD22 LEU 52 -2.263 -2.414 -5.005
383 HD23 LEU 52 HD23 LEU 52 -3.230 -1.572 -6.216
384 H GLU 53 HN GLU 53 -4.167 3.500 -6.026
385 HA GLU 53 HA GLU 53 -6.876 3.953 -5.457
386 HB2 GLU 53 HB2 GLU 53 -5.287 5.941 -7.025
387 HB3 GLU 53 HB1 GLU 53 -6.634 6.101 -5.926
388 HG2 GLU 53 HG2 GLU 53 -5.339 5.808 -4.043
389 HG3 GLU 53 HG1 GLU 53 -3.916 5.350 -4.996
390 H SER 54 HN SER 54 -5.128 4.434 -8.482
391 HA SER 54 HA SER 54 -7.372 5.182 -9.972
392 HB2 SER 54 HB2 SER 54 -5.049 5.804 -10.532
393 HB3 SER 54 HB1 SER 54 -4.700 4.123 -10.918
394 HG SER 54 HG SER 54 -5.786 6.040 -12.437
395 H ARG 55 HN ARG 55 -5.951 2.047 -9.316
396 HA ARG 55 HA ARG 55 -7.421 0.766 -11.414
397 HB2 ARG 55 HB2 ARG 55 -5.123 0.119 -10.329
398 HB3 ARG 55 HB1 ARG 55 -6.103 -0.668 -9.118
399 HG2 ARG 55 HG2 ARG 55 -6.443 -1.357 -12.025
400 HG3 ARG 55 HG1 ARG 55 -5.097 -2.011 -11.116
401 HD2 ARG 55 HD2 ARG 55 -6.771 -3.677 -11.086
402 HD3 ARG 55 HD1 ARG 55 -6.826 -2.937 -9.498
403 HE ARG 55 HE ARG 55 -8.758 -1.598 -10.656
404 HH11 ARG 55 HH11 ARG 55 -8.062 -5.067 -10.971
405 HH12 ARG 55 HH12 ARG 55 -9.692 -5.489 -11.223
406 HH21 ARG 55 HH21 ARG 55 -10.998 -2.184 -10.997
407 HH22 ARG 55 HH22 ARG 55 -11.403 -3.791 -11.291
408 H TYR 56 HN TYR 56 -7.789 1.122 -7.868
409 HA TYR 56 HA TYR 56 -10.132 -0.592 -8.104
410 HB2 TYR 56 HB2 TYR 56 -8.506 0.123 -5.689
411 HB3 TYR 56 HB1 TYR 56 -10.022 -0.781 -5.613
412 HD1 TYR 56 HD1 TYR 56 -10.187 -3.011 -6.579
413 HD2 TYR 56 HD2 TYR 56 -6.489 -0.915 -6.545
414 HE1 TYR 56 HE1 TYR 56 -9.005 -5.098 -7.085
415 HE2 TYR 56 HE2 TYR 56 -5.291 -3.004 -7.048
416 HH TYR 56 HH TYR 56 -5.615 -5.385 -6.817
417 H GLY 57 HN GLY 57 -9.490 2.729 -7.642
418 HA2 GLY 57 HA2 GLY 57 -11.252 4.282 -7.910
419 HA3 GLY 57 HA1 GLY 57 -12.378 3.080 -7.305
420 H VAL 58 HN VAL 58 -9.385 4.496 -6.022
421 HA VAL 58 HA VAL 58 -10.902 5.640 -3.811
422 HB VAL 58 HB VAL 58 -9.271 5.007 -2.094
423 HG11 VAL 58 HG11 VAL 58 -9.686 2.638 -1.912
424 HG12 VAL 58 HG12 VAL 58 -10.187 2.626 -3.605
425 HG13 VAL 58 HG13 VAL 58 -11.142 3.524 -2.410
426 HG21 VAL 58 HG21 VAL 58 -7.490 3.444 -2.457
427 HG22 VAL 58 HG22 VAL 58 -7.292 4.813 -3.562
428 HG23 VAL 58 HG23 VAL 58 -7.954 3.265 -4.141
429 H SER 59 HN SER 59 -9.260 7.061 -2.438
430 HA SER 59 HA SER 59 -7.261 8.181 -4.184
431 HB2 SER 59 HB2 SER 59 -9.295 9.580 -4.477
432 HB3 SER 59 HB1 SER 59 -9.333 9.866 -2.739
433 HG SER 59 HG SER 59 -7.228 10.581 -4.505
434 H ILE 60 HN ILE 60 -5.476 8.220 -3.160
435 HA ILE 60 HA ILE 60 -5.380 8.556 -0.232
436 HB ILE 60 HB ILE 60 -3.367 7.055 -1.970
437 HG12 ILE 60 HG12 ILE 60 -5.432 5.746 -1.846
438 HG13 ILE 60 HG11 ILE 60 -4.169 4.971 -0.901
439 HG21 ILE 60 HG21 ILE 60 -2.367 6.303 0.161
440 HG22 ILE 60 HG22 ILE 60 -3.539 7.283 1.035
441 HG23 ILE 60 HG23 ILE 60 -2.344 8.060 0.003
442 HD11 ILE 60 HD11 ILE 60 -6.430 6.636 0.190
443 HD12 ILE 60 HD12 ILE 60 -5.175 5.849 1.150
444 HD13 ILE 60 HD13 ILE 60 -6.320 4.876 0.229
445 HA PRO 61 HA PRO 61 -3.681 12.372 -2.067
446 HB2 PRO 61 HB2 PRO 61 -3.509 12.982 0.845
447 HB3 PRO 61 HB1 PRO 61 -4.173 13.963 -0.470
448 HG2 PRO 61 HG2 PRO 61 -5.812 12.733 1.200
449 HG3 PRO 61 HG1 PRO 61 -6.161 12.746 -0.542
450 HD2 PRO 61 HD2 PRO 61 -5.004 10.559 1.145
451 HD3 PRO 61 HD1 PRO 61 -6.228 10.458 -0.140
452 H ASP 62 HN ASP 62 -1.669 13.323 -2.134
453 HA ASP 62 HA ASP 62 0.581 11.707 -2.040
454 HB2 ASP 62 HB2 ASP 62 0.513 14.731 -1.902
455 HB3 ASP 62 HB1 ASP 62 1.934 13.772 -2.278
456 H ASP 63 HN ASP 63 -0.340 14.206 0.280
457 HA ASP 63 HA ASP 63 1.958 13.889 1.938
458 HB2 ASP 63 HB2 ASP 63 0.704 15.990 1.880
459 HB3 ASP 63 HB1 ASP 63 -0.718 15.183 2.518
460 H VAL 64 HN VAL 64 -1.060 12.305 1.752
461 HA VAL 64 HA VAL 64 -0.908 11.102 4.378
462 HB VAL 64 HB VAL 64 -2.781 10.445 2.071
463 HG11 VAL 64 HG11 VAL 64 -2.637 8.626 3.686
464 HG12 VAL 64 HG12 VAL 64 -4.208 9.424 3.788
465 HG13 VAL 64 HG13 VAL 64 -2.971 9.749 5.003
466 HG21 VAL 64 HG21 VAL 64 -4.436 11.803 3.264
467 HG22 VAL 64 HG22 VAL 64 -3.030 12.754 2.775
468 HG23 VAL 64 HG23 VAL 64 -3.207 12.242 4.453
469 H ALA 65 HN ALA 65 -0.345 10.164 1.006
470 HA ALA 65 HA ALA 65 0.285 7.462 1.499
471 HB1 ALA 65 HB1 ALA 65 -0.149 8.287 -0.783
472 HB2 ALA 65 HB2 ALA 65 1.459 7.529 -0.663
473 HB3 ALA 65 HB3 ALA 65 1.325 9.269 -0.680
474 H GLY 66 HN GLY 66 2.147 10.434 1.506
475 HA2 GLY 66 HA2 GLY 66 4.664 9.180 1.977
476 HA3 GLY 66 HA1 GLY 66 4.298 10.882 2.173
477 H ARG 67 HN ARG 67 1.988 9.424 3.891
478 HA ARG 67 HA ARG 67 3.446 9.815 6.398
479 HB2 ARG 67 HB2 ARG 67 1.402 11.170 5.817
480 HB3 ARG 67 HB1 ARG 67 0.480 9.686 5.964
481 HG2 ARG 67 HG2 ARG 67 1.291 9.498 8.302
482 HG3 ARG 67 HG1 ARG 67 2.009 11.103 8.121
483 HD2 ARG 67 HD2 ARG 67 -0.895 10.353 7.915
484 HD3 ARG 67 HD1 ARG 67 -0.128 11.355 9.141
485 HE ARG 67 HE ARG 67 0.417 12.785 7.016
486 HH11 ARG 67 HH11 ARG 67 -2.651 11.096 7.755
487 HH12 ARG 67 HH12 ARG 67 -3.593 12.272 6.945
488 HH21 ARG 67 HH21 ARG 67 -0.966 14.303 5.846
489 HH22 ARG 67 HH22 ARG 67 -2.657 14.064 5.869
490 H VAL 68 HN VAL 68 1.767 7.428 4.473
491 HA VAL 68 HA VAL 68 1.160 5.674 6.597
492 HB VAL 68 HB VAL 68 0.805 3.875 4.896
493 HG11 VAL 68 HG11 VAL 68 -1.091 4.932 3.793
494 HG12 VAL 68 HG12 VAL 68 -0.480 6.512 4.285
495 HG13 VAL 68 HG13 VAL 68 -0.983 5.340 5.503
496 HG21 VAL 68 HG21 VAL 68 0.858 4.432 2.502
497 HG22 VAL 68 HG22 VAL 68 2.477 4.506 3.201
498 HG23 VAL 68 HG23 VAL 68 1.578 5.989 2.878
499 H ASP 69 HN ASP 69 2.520 5.092 7.880
500 HA ASP 69 HA ASP 69 5.275 4.653 7.249
501 HB2 ASP 69 HB2 ASP 69 4.475 5.783 9.286
502 HB3 ASP 69 HB1 ASP 69 3.775 4.269 9.825
503 H THR 70 HN THR 70 2.562 2.592 8.304
504 HA THR 70 HA THR 70 4.222 0.257 7.693
505 HB THR 70 HB THR 70 2.627 -0.986 9.154
506 HG1 THR 70 HG1 THR 70 1.222 0.480 10.491
507 HG21 THR 70 HG21 THR 70 3.839 1.446 10.486
508 HG22 THR 70 HG22 THR 70 4.677 -0.075 10.168
509 HG23 THR 70 HG23 THR 70 3.334 -0.025 11.315
510 HA PRO 71 HA PRO 71 1.427 -0.700 4.302
511 HB2 PRO 71 HB2 PRO 71 1.330 -3.486 5.345
512 HB3 PRO 71 HB1 PRO 71 1.806 -2.908 3.745
513 HG2 PRO 71 HG2 PRO 71 3.651 -3.756 5.443
514 HG3 PRO 71 HG1 PRO 71 3.943 -2.310 4.452
515 HD2 PRO 71 HD2 PRO 71 3.154 -2.496 7.337
516 HD3 PRO 71 HD1 PRO 71 4.355 -1.439 6.565
517 H ARG 72 HN ARG 72 0.723 -1.625 7.534
518 HA ARG 72 HA ARG 72 -1.936 -2.487 7.350
519 HB2 ARG 72 HB2 ARG 72 -0.458 -2.723 9.352
520 HB3 ARG 72 HB1 ARG 72 -0.601 -0.994 9.621
521 HG2 ARG 72 HG2 ARG 72 -3.064 -1.314 9.862
522 HG3 ARG 72 HG1 ARG 72 -2.778 -3.053 9.790
523 HD2 ARG 72 HD2 ARG 72 -1.591 -1.170 11.818
524 HD3 ARG 72 HD1 ARG 72 -2.978 -2.214 12.089
525 HE ARG 72 HE ARG 72 -1.207 -4.034 11.460
526 HH11 ARG 72 HH11 ARG 72 -0.735 -1.155 13.431
527 HH12 ARG 72 HH12 ARG 72 0.418 -1.818 14.474
528 HH21 ARG 72 HH21 ARG 72 0.399 -5.064 12.975
529 HH22 ARG 72 HH22 ARG 72 1.006 -4.112 14.245
530 H GLU 73 HN GLU 73 -0.470 0.704 7.677
531 HA GLU 73 HA GLU 73 -2.787 2.239 8.114
532 HB2 GLU 73 HB2 GLU 73 -0.231 3.066 6.733
533 HB3 GLU 73 HB1 GLU 73 -1.433 4.149 7.405
534 HG2 GLU 73 HG2 GLU 73 0.235 2.202 8.966
535 HG3 GLU 73 HG1 GLU 73 0.530 3.933 8.820
536 H LEU 74 HN LEU 74 -1.020 1.485 5.144
537 HA LEU 74 HA LEU 74 -2.607 3.024 3.373
538 HB2 LEU 74 HB2 LEU 74 -0.252 1.693 3.103
539 HB3 LEU 74 HB1 LEU 74 -1.347 0.524 2.390
540 HG LEU 74 HG LEU 74 -1.010 3.350 1.389
541 HD11 LEU 74 HD11 LEU 74 1.016 2.074 1.059
542 HD12 LEU 74 HD12 LEU 74 0.194 2.337 -0.480
543 HD13 LEU 74 HD13 LEU 74 0.093 0.766 0.316
544 HD21 LEU 74 HD21 LEU 74 -2.435 0.979 0.176
545 HD22 LEU 74 HD22 LEU 74 -2.231 2.559 -0.581
546 HD23 LEU 74 HD23 LEU 74 -3.216 2.398 0.874
547 H LEU 75 HN LEU 75 -2.706 -0.371 4.356
548 HA LEU 75 HA LEU 75 -4.832 -1.184 2.722
549 HB2 LEU 75 HB2 LEU 75 -3.363 -2.770 3.845
550 HB3 LEU 75 HB1 LEU 75 -3.932 -2.226 5.408
551 HG LEU 75 HG LEU 75 -6.149 -3.160 4.954
552 HD11 LEU 75 HD11 LEU 75 -6.575 -4.527 2.995
553 HD12 LEU 75 HD12 LEU 75 -4.977 -4.155 2.346
554 HD13 LEU 75 HD13 LEU 75 -6.191 -2.887 2.530
555 HD21 LEU 75 HD21 LEU 75 -3.907 -5.116 4.471
556 HD22 LEU 75 HD22 LEU 75 -5.532 -5.527 5.015
557 HD23 LEU 75 HD23 LEU 75 -4.479 -4.553 6.041
558 H ASP 76 HN ASP 76 -4.749 0.173 5.966
559 HA ASP 76 HA ASP 76 -7.498 -0.136 6.554
560 HB2 ASP 76 HB2 ASP 76 -5.926 0.201 8.343
561 HB3 ASP 76 HB1 ASP 76 -5.405 1.736 7.664
562 H LEU 77 HN LEU 77 -5.625 2.464 5.143
563 HA LEU 77 HA LEU 77 -7.595 4.434 4.916
564 HB2 LEU 77 HB2 LEU 77 -5.279 3.773 3.117
565 HB3 LEU 77 HB1 LEU 77 -6.271 5.191 2.918
566 HG LEU 77 HG LEU 77 -4.471 4.571 5.261
567 HD11 LEU 77 HD11 LEU 77 -3.171 6.482 4.415
568 HD12 LEU 77 HD12 LEU 77 -4.268 6.621 3.048
569 HD13 LEU 77 HD13 LEU 77 -3.261 5.192 3.227
570 HD21 LEU 77 HD21 LEU 77 -6.173 7.009 4.707
571 HD22 LEU 77 HD22 LEU 77 -5.030 6.828 6.038
572 HD23 LEU 77 HD23 LEU 77 -6.470 5.811 5.966
573 H ILE 78 HN ILE 78 -6.586 1.982 2.562
574 HA ILE 78 HA ILE 78 -8.652 2.709 0.757
575 HB ILE 78 HB ILE 78 -6.721 0.387 0.738
576 HG12 ILE 78 HG12 ILE 78 -6.965 2.953 -0.835
577 HG13 ILE 78 HG11 ILE 78 -5.690 2.495 0.284
578 HG21 ILE 78 HG21 ILE 78 -8.767 -0.377 -0.374
579 HG22 ILE 78 HG22 ILE 78 -7.474 -0.132 -1.548
580 HG23 ILE 78 HG23 ILE 78 -8.761 1.061 -1.394
581 HD11 ILE 78 HD11 ILE 78 -4.866 0.848 -1.263
582 HD12 ILE 78 HD12 ILE 78 -5.085 2.398 -2.144
583 HD13 ILE 78 HD13 ILE 78 -6.268 1.111 -2.300
584 H ASN 79 HN ASN 79 -8.391 0.322 3.252
585 HA ASN 79 HA ASN 79 -10.683 -1.170 2.611
586 HB2 ASN 79 HB2 ASN 79 -9.142 -0.721 5.125
587 HB3 ASN 79 HB1 ASN 79 -10.743 -1.431 5.259
588 HD21 ASN 79 HD21 ASN 79 -8.804 -2.039 2.444
589 HD22 ASN 79 HD22 ASN 79 -8.425 -3.686 2.833
590 H GLY 80 HN GLY 80 -10.315 1.749 4.554
591 HA2 GLY 80 HA2 GLY 80 -13.073 1.930 5.196
592 HA3 GLY 80 HA1 GLY 80 -11.893 3.231 5.316
593 H ALA 81 HN ALA 81 -11.094 3.134 2.569
594 HA ALA 81 HA ALA 81 -13.027 4.948 1.563
595 HB1 ALA 81 HB1 ALA 81 -10.602 3.783 0.197
596 HB2 ALA 81 HB2 ALA 81 -10.619 5.243 1.182
597 HB3 ALA 81 HB3 ALA 81 -11.517 5.195 -0.334
598 H LEU 82 HN LEU 82 -11.982 1.704 0.586
599 HA LEU 82 HA LEU 82 -13.799 1.540 -1.587
600 HB2 LEU 82 HB2 LEU 82 -12.104 -0.453 -0.165
601 HB3 LEU 82 HB1 LEU 82 -13.286 -0.988 -1.329
602 HG LEU 82 HG LEU 82 -10.866 0.774 -1.870
603 HD11 LEU 82 HD11 LEU 82 -11.575 -2.005 -2.770
604 HD12 LEU 82 HD12 LEU 82 -10.358 -1.580 -1.571
605 HD13 LEU 82 HD13 LEU 82 -10.155 -1.079 -3.253
606 HD21 LEU 82 HD21 LEU 82 -11.561 0.705 -4.203
607 HD22 LEU 82 HD22 LEU 82 -12.794 1.491 -3.218
608 HD23 LEU 82 HD23 LEU 82 -13.026 -0.172 -3.759
609 H ALA 83 HN ALA 83 -14.065 0.730 1.797
610 HA ALA 83 HA ALA 83 -16.375 -0.896 1.613
611 HB1 ALA 83 HB1 ALA 83 -15.005 -0.757 3.655
612 HB2 ALA 83 HB2 ALA 83 -16.703 -0.378 3.978
613 HB3 ALA 83 HB3 ALA 83 -15.519 0.920 3.858
614 H GLU 84 HN GLU 84 -15.832 2.523 1.896
615 HA GLU 84 HA GLU 84 -18.600 3.198 2.058
616 HB2 GLU 84 HB2 GLU 84 -16.769 4.565 3.024
617 HB3 GLU 84 HB1 GLU 84 -16.196 4.897 1.401
618 HG2 GLU 84 HG2 GLU 84 -17.410 6.748 2.190
619 HG3 GLU 84 HG1 GLU 84 -18.350 5.982 0.907
620 H ALA 85 HN ALA 85 -16.041 3.293 -0.378
621 HA ALA 85 HA ALA 85 -15.934 3.194 -2.567
622 HB1 ALA 85 HB1 ALA 85 -17.822 2.670 -4.019
623 HB2 ALA 85 HB2 ALA 85 -18.951 2.978 -2.696
624 HB3 ALA 85 HB3 ALA 85 -17.835 1.615 -2.604
625 H ALA 86 HN ALA 86 -15.769 4.654 -4.197
626 HA ALA 86 HA ALA 86 -17.069 7.233 -3.718
627 HB1 ALA 86 HB1 ALA 86 -14.107 6.847 -4.152
628 HB2 ALA 86 HB2 ALA 86 -14.875 7.295 -2.628
629 HB3 ALA 86 HB3 ALA 86 -14.940 8.394 -4.007
630 H28 SXM 87 H28A SXM 87 7.866 10.803 -2.359
631 H28A SXM 87 H28B SXM 87 7.777 12.271 -1.379
632 H30 SXM 87 H30A SXM 87 6.229 13.361 -2.797
633 H30A SXM 87 H30B SXM 87 6.145 11.886 -3.755
634 H30B SXM 87 H30C SXM 87 6.467 13.430 -4.543
635 H31 SXM 87 H31C SXM 87 8.716 14.565 -4.184
636 H31A SXM 87 H31A SXM 87 9.884 13.806 -3.102
637 H31B SXM 87 H31B SXM 87 8.398 14.504 -2.451
638 H32 SXM 87 H32A SXM 87 8.105 11.001 -4.919
639 HO33 SXM 87 H33A SXM 87 10.156 11.590 -3.452
640 HN36 SXM 87 H36A SXM 87 10.602 11.924 -6.176
641 H37 SXM 87 H37B SXM 87 10.449 14.274 -7.675
642 H37A SXM 87 H37A SXM 87 9.563 13.053 -8.583
643 H38 SXM 87 H38A SXM 87 11.870 13.215 -9.384
644 H38A SXM 87 H38B SXM 87 12.471 12.906 -7.766
645 HN41 SXM 87 H41A SXM 87 13.293 11.390 -9.916
646 H42 SXM 87 H42A SXM 87 12.791 8.747 -9.036
647 H42A SXM 87 H42B SXM 87 11.953 9.073 -10.550
648 H43 SXM 87 H43A SXM 87 14.074 9.705 -11.587
649 H43A SXM 87 H43B SXM 87 14.123 8.052 -10.954
650 H2 SXM 87 H2A SXM 87 18.630 8.293 -10.929
651 H2A SXM 87 H2B SXM 87 18.049 8.520 -9.282
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -21.990 -4.210 1.227
2 H2 MET 1 HT2 MET 1 -20.758 -3.361 1.946
3 H3 MET 1 HT3 MET 1 -21.639 -4.445 2.881
4 HA MET 1 HA MET 1 -19.468 -5.287 2.338
5 HB2 MET 1 HB2 MET 1 -21.571 -6.624 0.612
6 HB3 MET 1 HB1 MET 1 -20.028 -7.332 1.063
7 HG2 MET 1 HG2 MET 1 -22.248 -6.583 2.942
8 HG3 MET 1 HG1 MET 1 -21.844 -8.212 2.405
9 HE1 MET 1 HE1 MET 1 -19.619 -9.506 3.111
10 HE2 MET 1 HE2 MET 1 -18.332 -8.767 4.064
11 HE3 MET 1 HE3 MET 1 -18.668 -8.184 2.433
12 H ALA 2 HN ALA 2 -17.865 -4.490 1.241
13 HA ALA 2 HA ALA 2 -18.159 -4.127 -1.671
14 HB1 ALA 2 HB1 ALA 2 -18.073 -1.956 -0.544
15 HB2 ALA 2 HB2 ALA 2 -16.610 -2.234 -1.488
16 HB3 ALA 2 HB3 ALA 2 -16.578 -2.432 0.266
17 H THR 3 HN THR 3 -15.945 -4.166 -2.741
18 HA THR 3 HA THR 3 -14.493 -6.410 -1.678
19 HB THR 3 HB THR 3 -14.934 -6.308 -4.104
20 HG1 THR 3 HG1 THR 3 -12.837 -7.163 -3.149
21 HG21 THR 3 HG21 THR 3 -13.135 -3.873 -4.173
22 HG22 THR 3 HG22 THR 3 -14.864 -3.903 -4.523
23 HG23 THR 3 HG23 THR 3 -13.733 -4.733 -5.593
24 H LEU 4 HN LEU 4 -13.181 -5.984 -0.027
25 HA LEU 4 HA LEU 4 -11.667 -3.497 0.017
26 HB2 LEU 4 HB2 LEU 4 -11.886 -5.740 2.033
27 HB3 LEU 4 HB1 LEU 4 -10.955 -4.271 2.264
28 HG LEU 4 HG LEU 4 -13.927 -4.387 1.898
29 HD11 LEU 4 HD11 LEU 4 -13.272 -5.400 4.006
30 HD12 LEU 4 HD12 LEU 4 -14.051 -3.843 4.284
31 HD13 LEU 4 HD13 LEU 4 -12.298 -3.982 4.399
32 HD21 LEU 4 HD21 LEU 4 -12.977 -2.285 1.136
33 HD22 LEU 4 HD22 LEU 4 -12.115 -2.101 2.663
34 HD23 LEU 4 HD23 LEU 4 -13.877 -2.041 2.634
35 H LEU 5 HN LEU 5 -9.289 -3.843 0.732
36 HA LEU 5 HA LEU 5 -8.246 -5.664 -1.250
37 HB2 LEU 5 HB2 LEU 5 -6.785 -3.714 0.556
38 HB3 LEU 5 HB1 LEU 5 -6.035 -4.754 -0.644
39 HG LEU 5 HG LEU 5 -7.972 -2.520 -1.160
40 HD11 LEU 5 HD11 LEU 5 -5.034 -2.834 -1.699
41 HD12 LEU 5 HD12 LEU 5 -5.764 -1.802 -0.471
42 HD13 LEU 5 HD13 LEU 5 -6.034 -1.467 -2.185
43 HD21 LEU 5 HD21 LEU 5 -7.478 -2.938 -3.512
44 HD22 LEU 5 HD22 LEU 5 -8.249 -4.333 -2.754
45 HD23 LEU 5 HD23 LEU 5 -6.515 -4.345 -3.057
46 H THR 6 HN THR 6 -7.544 -7.568 -0.853
47 HA THR 6 HA THR 6 -7.539 -8.463 1.867
48 HB THR 6 HB THR 6 -7.056 -10.722 0.826
49 HG1 THR 6 HG1 THR 6 -7.595 -9.347 -1.634
50 HG21 THR 6 HG21 THR 6 -9.486 -9.237 -0.194
51 HG22 THR 6 HG22 THR 6 -9.340 -10.019 1.382
52 HG23 THR 6 HG23 THR 6 -9.325 -10.992 -0.087
53 H THR 7 HN THR 7 -5.534 -10.256 2.141
54 HA THR 7 HA THR 7 -3.430 -8.387 2.554
55 HB THR 7 HB THR 7 -3.135 -11.330 3.033
56 HG1 THR 7 HG1 THR 7 -4.715 -9.427 4.539
57 HG21 THR 7 HG21 THR 7 -2.297 -8.818 4.493
58 HG22 THR 7 HG22 THR 7 -1.261 -9.798 3.471
59 HG23 THR 7 HG23 THR 7 -1.890 -10.466 4.988
60 H ASP 8 HN ASP 8 -3.813 -11.233 0.403
61 HA ASP 8 HA ASP 8 -1.064 -11.081 -0.415
62 HB2 ASP 8 HB2 ASP 8 -2.320 -13.225 -0.440
63 HB3 ASP 8 HB1 ASP 8 -3.327 -12.591 -1.737
64 H ASP 9 HN ASP 9 -4.102 -9.900 -1.570
65 HA ASP 9 HA ASP 9 -3.250 -8.988 -4.124
66 HB2 ASP 9 HB2 ASP 9 -5.659 -9.214 -3.362
67 HB3 ASP 9 HB1 ASP 9 -5.403 -7.794 -2.370
68 H LEU 10 HN LEU 10 -3.459 -7.479 -0.944
69 HA LEU 10 HA LEU 10 -2.357 -4.977 -1.528
70 HB2 LEU 10 HB2 LEU 10 -3.439 -5.518 0.603
71 HB3 LEU 10 HB1 LEU 10 -2.173 -6.662 0.980
72 HG LEU 10 HG LEU 10 -0.555 -4.759 1.062
73 HD11 LEU 10 HD11 LEU 10 -3.044 -3.112 0.869
74 HD12 LEU 10 HD12 LEU 10 -1.744 -3.201 -0.328
75 HD13 LEU 10 HD13 LEU 10 -1.432 -2.508 1.275
76 HD21 LEU 10 HD21 LEU 10 -1.552 -5.673 3.101
77 HD22 LEU 10 HD22 LEU 10 -2.897 -4.540 2.953
78 HD23 LEU 10 HD23 LEU 10 -1.258 -3.943 3.228
79 H ARG 11 HN ARG 11 -0.875 -8.036 -0.516
80 HA ARG 11 HA ARG 11 1.764 -7.210 -0.348
81 HB2 ARG 11 HB2 ARG 11 1.060 -9.396 0.491
82 HB3 ARG 11 HB1 ARG 11 0.770 -9.953 -1.154
83 HG2 ARG 11 HG2 ARG 11 3.140 -9.684 -1.675
84 HG3 ARG 11 HG1 ARG 11 3.431 -9.096 -0.042
85 HD2 ARG 11 HD2 ARG 11 4.113 -11.399 -0.205
86 HD3 ARG 11 HD1 ARG 11 2.707 -11.275 0.842
87 HE ARG 11 HE ARG 11 1.382 -12.118 -1.087
88 HH11 ARG 11 HH11 ARG 11 4.907 -12.606 -1.372
89 HH12 ARG 11 HH12 ARG 11 4.735 -14.195 -1.933
90 HH21 ARG 11 HH21 ARG 11 1.220 -14.201 -1.997
91 HH22 ARG 11 HH22 ARG 11 2.651 -15.124 -2.341
92 H ARG 12 HN ARG 12 0.214 -8.800 -3.131
93 HA ARG 12 HA ARG 12 2.536 -8.746 -4.686
94 HB2 ARG 12 HB2 ARG 12 -0.339 -9.040 -5.500
95 HB3 ARG 12 HB1 ARG 12 0.989 -9.133 -6.649
96 HG2 ARG 12 HG2 ARG 12 0.540 -10.954 -4.285
97 HG3 ARG 12 HG1 ARG 12 0.289 -11.361 -5.985
98 HD2 ARG 12 HD2 ARG 12 2.728 -10.871 -6.366
99 HD3 ARG 12 HD1 ARG 12 2.902 -10.710 -4.623
100 HE ARG 12 HE ARG 12 1.720 -13.165 -5.283
101 HH11 ARG 12 HH11 ARG 12 4.867 -11.483 -5.362
102 HH12 ARG 12 HH12 ARG 12 5.802 -12.894 -5.194
103 HH21 ARG 12 HH21 ARG 12 3.051 -15.146 -5.148
104 HH22 ARG 12 HH22 ARG 12 4.734 -15.007 -5.050
105 H ALA 13 HN ALA 13 -0.075 -6.380 -4.605
106 HA ALA 13 HA ALA 13 0.950 -4.807 -6.709
107 HB1 ALA 13 HB1 ALA 13 -1.341 -4.594 -5.880
108 HB2 ALA 13 HB2 ALA 13 -0.489 -3.047 -5.848
109 HB3 ALA 13 HB3 ALA 13 -0.724 -3.954 -4.356
110 H LEU 14 HN LEU 14 1.541 -4.859 -3.251
111 HA LEU 14 HA LEU 14 3.132 -2.523 -3.099
112 HB2 LEU 14 HB2 LEU 14 1.959 -3.742 -1.209
113 HB3 LEU 14 HB1 LEU 14 3.198 -4.970 -1.310
114 HG LEU 14 HG LEU 14 4.879 -3.202 -0.729
115 HD11 LEU 14 HD11 LEU 14 4.080 -1.139 0.288
116 HD12 LEU 14 HD12 LEU 14 2.422 -1.563 -0.127
117 HD13 LEU 14 HD13 LEU 14 3.596 -1.242 -1.400
118 HD21 LEU 14 HD21 LEU 14 4.040 -4.759 0.930
119 HD22 LEU 14 HD22 LEU 14 2.665 -3.701 1.245
120 HD23 LEU 14 HD23 LEU 14 4.297 -3.166 1.646
121 H VAL 15 HN VAL 15 3.840 -5.965 -3.380
122 HA VAL 15 HA VAL 15 6.617 -6.026 -3.405
123 HB VAL 15 HB VAL 15 4.684 -7.756 -4.997
124 HG11 VAL 15 HG11 VAL 15 6.921 -7.894 -5.980
125 HG12 VAL 15 HG12 VAL 15 6.499 -9.397 -5.160
126 HG13 VAL 15 HG13 VAL 15 7.601 -8.252 -4.393
127 HG21 VAL 15 HG21 VAL 15 5.068 -9.388 -3.220
128 HG22 VAL 15 HG22 VAL 15 4.391 -7.882 -2.590
129 HG23 VAL 15 HG23 VAL 15 6.108 -8.229 -2.393
130 H GLU 16 HN GLU 16 4.456 -5.682 -6.177
131 HA GLU 16 HA GLU 16 6.522 -5.490 -8.083
132 HB2 GLU 16 HB2 GLU 16 3.653 -4.629 -8.229
133 HB3 GLU 16 HB1 GLU 16 4.754 -4.658 -9.601
134 HG2 GLU 16 HG2 GLU 16 5.048 -7.044 -9.337
135 HG3 GLU 16 HG1 GLU 16 3.984 -7.032 -7.932
136 H SER 17 HN SER 17 4.658 -3.017 -6.398
137 HA SER 17 HA SER 17 5.911 -0.954 -7.959
138 HB2 SER 17 HB2 SER 17 4.009 -0.684 -5.644
139 HB3 SER 17 HB1 SER 17 4.375 0.525 -6.877
140 HG SER 17 HG SER 17 2.853 -1.791 -6.998
141 H ALA 18 HN ALA 18 6.849 -2.675 -5.279
142 HA ALA 18 HA ALA 18 8.101 -0.785 -3.601
143 HB1 ALA 18 HB1 ALA 18 8.915 -3.621 -4.217
144 HB2 ALA 18 HB2 ALA 18 7.767 -3.120 -2.973
145 HB3 ALA 18 HB3 ALA 18 9.465 -2.669 -2.839
146 H GLY 19 HN GLY 19 8.827 -1.950 -6.649
147 HA2 GLY 19 HA2 GLY 19 11.050 -0.189 -6.982
148 HA3 GLY 19 HA1 GLY 19 11.460 -1.910 -7.117
149 H GLU 20 HN GLU 20 11.139 -2.860 -8.987
150 HA GLU 20 HA GLU 20 8.880 -1.964 -10.551
151 HB2 GLU 20 HB2 GLU 20 10.877 -0.725 -11.392
152 HB3 GLU 20 HB1 GLU 20 11.617 -2.284 -11.755
153 HG2 GLU 20 HG2 GLU 20 9.905 -2.783 -13.368
154 HG3 GLU 20 HG1 GLU 20 9.021 -1.322 -12.937
155 H THR 21 HN THR 21 7.741 -3.600 -11.074
156 HA THR 21 HA THR 21 6.980 -5.683 -11.444
157 HB THR 21 HB THR 21 8.231 -7.031 -13.144
158 HG1 THR 21 HG1 THR 21 10.286 -5.776 -12.143
159 HG21 THR 21 HG21 THR 21 6.785 -5.200 -13.840
160 HG22 THR 21 HG22 THR 21 8.190 -5.322 -14.904
161 HG23 THR 21 HG23 THR 21 8.122 -4.067 -13.659
162 H ASP 22 HN ASP 22 7.111 -6.156 -9.220
163 HA ASP 22 HA ASP 22 7.568 -7.371 -7.390
164 HB2 ASP 22 HB2 ASP 22 8.767 -9.320 -9.391
165 HB3 ASP 22 HB1 ASP 22 8.599 -9.682 -7.682
166 H GLY 23 HN GLY 23 8.845 -5.546 -6.970
167 HA2 GLY 23 HA2 GLY 23 11.710 -5.715 -7.304
168 HA3 GLY 23 HA1 GLY 23 10.794 -4.409 -6.565
169 H THR 24 HN THR 24 9.403 -6.033 -4.657
170 HA THR 24 HA THR 24 11.454 -7.259 -3.000
171 HB THR 24 HB THR 24 9.859 -4.829 -2.083
172 HG1 THR 24 HG1 THR 24 12.233 -5.038 -3.331
173 HG21 THR 24 HG21 THR 24 11.215 -4.984 -0.031
174 HG22 THR 24 HG22 THR 24 11.988 -6.441 -0.654
175 HG23 THR 24 HG23 THR 24 10.263 -6.448 -0.282
176 H ASP 25 HN ASP 25 10.329 -9.157 -2.657
177 HA ASP 25 HA ASP 25 7.441 -9.084 -2.375
178 HB2 ASP 25 HB2 ASP 25 8.267 -11.008 -3.574
179 HB3 ASP 25 HB1 ASP 25 9.344 -11.432 -2.244
180 H LEU 26 HN LEU 26 6.324 -9.196 -0.621
181 HA LEU 26 HA LEU 26 7.811 -9.107 1.895
182 HB2 LEU 26 HB2 LEU 26 5.038 -8.014 1.346
183 HB3 LEU 26 HB1 LEU 26 5.887 -7.921 2.866
184 HG LEU 26 HG LEU 26 6.011 -5.788 1.981
185 HD11 LEU 26 HD11 LEU 26 8.608 -7.099 1.281
186 HD12 LEU 26 HD12 LEU 26 8.123 -6.454 2.848
187 HD13 LEU 26 HD13 LEU 26 8.356 -5.366 1.481
188 HD21 LEU 26 HD21 LEU 26 6.713 -5.228 -0.309
189 HD22 LEU 26 HD22 LEU 26 5.263 -6.229 -0.294
190 HD23 LEU 26 HD23 LEU 26 6.828 -6.940 -0.685
191 H SER 27 HN SER 27 7.791 -11.425 1.543
192 HA SER 27 HA SER 27 5.416 -12.940 1.743
193 HB2 SER 27 HB2 SER 27 7.741 -13.633 0.858
194 HB3 SER 27 HB1 SER 27 8.164 -13.871 2.552
195 HG SER 27 HG SER 27 6.616 -15.314 0.851
196 H GLY 28 HN GLY 28 4.304 -13.562 3.548
197 HA2 GLY 28 HA2 GLY 28 4.092 -14.166 5.830
198 HA3 GLY 28 HA1 GLY 28 5.586 -13.295 6.176
199 H ASP 29 HN ASP 29 4.691 -11.948 7.796
200 HA ASP 29 HA ASP 29 2.473 -10.291 6.890
201 HB2 ASP 29 HB2 ASP 29 2.286 -11.249 9.179
202 HB3 ASP 29 HB1 ASP 29 3.734 -10.355 9.644
203 H PHE 30 HN PHE 30 2.665 -8.263 6.488
204 HA PHE 30 HA PHE 30 5.254 -6.989 6.904
205 HB2 PHE 30 HB2 PHE 30 4.936 -5.868 4.680
206 HB3 PHE 30 HB1 PHE 30 5.216 -7.601 4.586
207 HD1 PHE 30 HD2 PHE 30 3.293 -9.114 4.086
208 HD2 PHE 30 HD1 PHE 30 2.954 -4.883 3.844
209 HE1 PHE 30 HE2 PHE 30 1.263 -9.353 2.726
210 HE2 PHE 30 HE1 PHE 30 0.921 -5.117 2.488
211 HZ PHE 30 HZ PHE 30 0.082 -7.376 1.921
212 H LEU 31 HN LEU 31 2.284 -6.981 7.981
213 HA LEU 31 HA LEU 31 1.642 -4.204 7.553
214 HB2 LEU 31 HB2 LEU 31 0.148 -6.472 8.838
215 HB3 LEU 31 HB1 LEU 31 -0.296 -4.819 9.147
216 HG LEU 31 HG LEU 31 -0.653 -4.478 6.733
217 HD11 LEU 31 HD11 LEU 31 -0.927 -6.328 5.265
218 HD12 LEU 31 HD12 LEU 31 -0.285 -7.439 6.492
219 HD13 LEU 31 HD13 LEU 31 0.742 -6.167 5.805
220 HD21 LEU 31 HD21 LEU 31 -2.772 -5.691 6.618
221 HD22 LEU 31 HD22 LEU 31 -2.515 -4.932 8.188
222 HD23 LEU 31 HD23 LEU 31 -2.273 -6.671 7.998
223 H ASP 32 HN ASP 32 2.909 -6.331 10.014
224 HA ASP 32 HA ASP 32 2.754 -4.269 12.031
225 HB2 ASP 32 HB2 ASP 32 3.755 -5.779 13.553
226 HB3 ASP 32 HB1 ASP 32 2.822 -6.823 12.498
227 H LEU 33 HN LEU 33 4.681 -4.891 9.444
228 HA LEU 33 HA LEU 33 7.167 -3.793 10.469
229 HB2 LEU 33 HB2 LEU 33 6.378 -4.538 7.655
230 HB3 LEU 33 HB1 LEU 33 7.991 -4.140 8.203
231 HG LEU 33 HG LEU 33 6.390 -6.568 8.996
232 HD11 LEU 33 HD11 LEU 33 8.822 -6.261 7.250
233 HD12 LEU 33 HD12 LEU 33 7.190 -6.658 6.710
234 HD13 LEU 33 HD13 LEU 33 8.080 -7.788 7.727
235 HD21 LEU 33 HD21 LEU 33 8.434 -7.304 10.106
236 HD22 LEU 33 HD22 LEU 33 7.826 -5.805 10.814
237 HD23 LEU 33 HD23 LEU 33 9.205 -5.768 9.713
238 H ARG 34 HN ARG 34 8.157 -1.946 9.356
239 HA ARG 34 HA ARG 34 6.166 0.057 8.534
240 HB2 ARG 34 HB2 ARG 34 9.037 0.361 9.421
241 HB3 ARG 34 HB1 ARG 34 7.928 1.666 9.045
242 HG2 ARG 34 HG2 ARG 34 6.666 1.279 10.991
243 HG3 ARG 34 HG1 ARG 34 7.429 -0.294 11.262
244 HD2 ARG 34 HD2 ARG 34 8.795 2.394 11.378
245 HD3 ARG 34 HD1 ARG 34 8.380 1.373 12.762
246 HE ARG 34 HE ARG 34 9.846 -0.265 11.192
247 HH11 ARG 34 HH11 ARG 34 10.541 2.974 12.484
248 HH12 ARG 34 HH12 ARG 34 12.212 2.704 12.616
249 HH21 ARG 34 HH21 ARG 34 12.103 -0.614 11.334
250 HH22 ARG 34 HH22 ARG 34 13.155 0.569 11.939
251 H PHE 35 HN PHE 35 6.842 1.416 6.759
252 HA PHE 35 HA PHE 35 7.981 0.016 4.558
253 HB2 PHE 35 HB2 PHE 35 7.336 2.944 4.942
254 HB3 PHE 35 HB1 PHE 35 7.957 2.304 3.432
255 HD1 PHE 35 HD2 PHE 35 6.572 0.410 2.338
256 HD2 PHE 35 HD1 PHE 35 5.067 2.981 5.354
257 HE1 PHE 35 HE2 PHE 35 4.282 -0.165 1.672
258 HE2 PHE 35 HE1 PHE 35 2.771 2.410 4.700
259 HZ PHE 35 HZ PHE 35 2.383 0.933 2.743
260 H GLU 36 HN GLU 36 9.208 2.102 6.980
261 HA GLU 36 HA GLU 36 11.785 2.590 5.947
262 HB2 GLU 36 HB2 GLU 36 10.775 2.450 8.780
263 HB3 GLU 36 HB1 GLU 36 12.391 2.983 8.338
264 HG2 GLU 36 HG2 GLU 36 11.538 4.873 7.181
265 HG3 GLU 36 HG1 GLU 36 9.881 4.273 7.321
266 H ASP 37 HN ASP 37 10.376 -0.265 7.374
267 HA ASP 37 HA ASP 37 12.951 -1.470 8.002
268 HB2 ASP 37 HB2 ASP 37 10.174 -2.691 8.005
269 HB3 ASP 37 HB1 ASP 37 11.634 -3.554 8.443
270 H ILE 38 HN ILE 38 10.469 -1.664 5.574
271 HA ILE 38 HA ILE 38 11.976 -3.735 4.203
272 HB ILE 38 HB ILE 38 9.927 -3.927 2.722
273 HG12 ILE 38 HG12 ILE 38 8.758 -2.121 4.868
274 HG13 ILE 38 HG11 ILE 38 8.967 -1.702 3.175
275 HG21 ILE 38 HG21 ILE 38 10.414 -5.483 4.524
276 HG22 ILE 38 HG22 ILE 38 8.677 -5.189 4.422
277 HG23 ILE 38 HG23 ILE 38 9.632 -4.411 5.687
278 HD11 ILE 38 HD11 ILE 38 6.652 -2.235 3.681
279 HD12 ILE 38 HD12 ILE 38 7.129 -3.835 4.251
280 HD13 ILE 38 HD13 ILE 38 7.333 -3.406 2.552
281 H GLY 39 HN GLY 39 12.618 -0.858 4.259
282 HA2 GLY 39 HA2 GLY 39 13.677 0.651 2.927
283 HA3 GLY 39 HA1 GLY 39 13.982 -0.712 1.877
284 H TYR 40 HN TYR 40 11.093 1.333 2.636
285 HA TYR 40 HA TYR 40 10.674 1.437 -0.235
286 HB2 TYR 40 HB2 TYR 40 8.786 1.799 2.066
287 HB3 TYR 40 HB1 TYR 40 8.471 2.521 0.516
288 HD1 TYR 40 HD1 TYR 40 9.926 -0.776 1.417
289 HD2 TYR 40 HD2 TYR 40 6.785 1.335 -0.497
290 HE1 TYR 40 HE1 TYR 40 8.966 -2.899 0.650
291 HE2 TYR 40 HE2 TYR 40 5.826 -0.770 -1.284
292 HH TYR 40 HH TYR 40 6.549 -3.047 -1.734
293 H ASP 41 HN ASP 41 11.296 3.100 -1.309
294 HA ASP 41 HA ASP 41 11.636 5.689 -0.146
295 HB2 ASP 41 HB2 ASP 41 12.931 5.013 -2.158
296 HB3 ASP 41 HB1 ASP 41 11.432 4.828 -3.060
297 H SER 42 HN SER 42 10.202 7.463 -0.463
298 HA SER 42 HA SER 42 7.548 6.750 -0.180
299 HB2 SER 42 HB2 SER 42 7.242 9.302 -0.437
300 HB3 SER 42 HB1 SER 42 8.131 8.666 0.949
301 H LEU 43 HN LEU 43 9.277 7.570 -3.123
302 HA LEU 43 HA LEU 43 6.902 8.118 -4.612
303 HB2 LEU 43 HB2 LEU 43 9.234 8.827 -5.301
304 HB3 LEU 43 HB1 LEU 43 9.584 7.159 -5.670
305 HG LEU 43 HG LEU 43 7.439 8.752 -7.118
306 HD11 LEU 43 HD11 LEU 43 10.310 8.286 -7.901
307 HD12 LEU 43 HD12 LEU 43 9.598 9.827 -7.422
308 HD13 LEU 43 HD13 LEU 43 9.074 9.036 -8.909
309 HD21 LEU 43 HD21 LEU 43 8.912 6.218 -7.886
310 HD22 LEU 43 HD22 LEU 43 7.698 7.045 -8.862
311 HD23 LEU 43 HD23 LEU 43 7.241 6.300 -7.331
312 H ALA 44 HN ALA 44 8.887 5.269 -4.035
313 HA ALA 44 HA ALA 44 7.461 3.464 -5.673
314 HB1 ALA 44 HB1 ALA 44 9.696 2.969 -4.766
315 HB2 ALA 44 HB2 ALA 44 8.543 1.704 -4.337
316 HB3 ALA 44 HB3 ALA 44 9.017 2.908 -3.140
317 H LEU 45 HN LEU 45 7.068 4.505 -2.370
318 HA LEU 45 HA LEU 45 4.991 2.756 -1.653
319 HB2 LEU 45 HB2 LEU 45 6.337 4.115 -0.067
320 HB3 LEU 45 HB1 LEU 45 5.541 5.557 -0.648
321 HG LEU 45 HG LEU 45 4.029 3.317 0.678
322 HD11 LEU 45 HD11 LEU 45 5.239 5.804 1.915
323 HD12 LEU 45 HD12 LEU 45 5.775 4.148 2.212
324 HD13 LEU 45 HD13 LEU 45 4.175 4.667 2.741
325 HD21 LEU 45 HD21 LEU 45 2.431 5.052 1.194
326 HD22 LEU 45 HD22 LEU 45 2.681 4.856 -0.543
327 HD23 LEU 45 HD23 LEU 45 3.418 6.231 0.313
328 H MET 46 HN MET 46 4.933 6.052 -3.018
329 HA MET 46 HA MET 46 2.105 6.235 -3.092
330 HB2 MET 46 HB2 MET 46 4.093 7.697 -4.822
331 HB3 MET 46 HB1 MET 46 2.388 8.090 -4.677
332 HG2 MET 46 HG2 MET 46 2.863 8.296 -2.204
333 HG3 MET 46 HG1 MET 46 4.554 8.335 -2.674
334 HE1 MET 46 HE1 MET 46 1.103 10.180 -3.022
335 HE2 MET 46 HE2 MET 46 1.501 9.780 -4.692
336 HE3 MET 46 HE3 MET 46 1.497 11.465 -4.166
337 H GLU 47 HN GLU 47 4.473 5.184 -5.387
338 HA GLU 47 HA GLU 47 2.967 4.748 -7.650
339 HB2 GLU 47 HB2 GLU 47 5.394 4.567 -7.282
340 HB3 GLU 47 HB1 GLU 47 5.153 3.038 -6.483
341 HG2 GLU 47 HG2 GLU 47 5.886 2.623 -8.749
342 HG3 GLU 47 HG1 GLU 47 4.233 2.055 -8.533
343 H THR 48 HN THR 48 3.513 2.646 -4.868
344 HA THR 48 HA THR 48 1.889 0.472 -5.609
345 HB THR 48 HB THR 48 2.493 1.489 -2.824
346 HG1 THR 48 HG1 THR 48 4.480 1.119 -3.915
347 HG21 THR 48 HG21 THR 48 0.722 -0.198 -2.937
348 HG22 THR 48 HG22 THR 48 2.178 -0.859 -2.197
349 HG23 THR 48 HG23 THR 48 1.783 -1.254 -3.869
350 H ALA 49 HN ALA 49 1.297 3.106 -3.303
351 HA ALA 49 HA ALA 49 -1.299 2.518 -2.594
352 HB1 ALA 49 HB1 ALA 49 -1.397 4.763 -1.690
353 HB2 ALA 49 HB2 ALA 49 -0.051 5.266 -2.712
354 HB3 ALA 49 HB3 ALA 49 0.221 4.100 -1.424
355 H ALA 50 HN ALA 50 -0.222 4.784 -5.142
356 HA ALA 50 HA ALA 50 -2.817 5.518 -5.960
357 HB1 ALA 50 HB1 ALA 50 -0.826 6.865 -6.464
358 HB2 ALA 50 HB2 ALA 50 -1.735 6.471 -7.924
359 HB3 ALA 50 HB3 ALA 50 -0.250 5.596 -7.548
360 H ARG 51 HN ARG 51 -0.664 2.912 -6.931
361 HA ARG 51 HA ARG 51 -2.148 2.123 -9.193
362 HB2 ARG 51 HB2 ARG 51 0.122 1.383 -9.015
363 HB3 ARG 51 HB1 ARG 51 -0.182 0.613 -7.473
364 HG2 ARG 51 HG2 ARG 51 -1.305 -1.187 -8.476
365 HG3 ARG 51 HG1 ARG 51 -1.511 -0.312 -9.996
366 HD2 ARG 51 HD2 ARG 51 1.197 -1.021 -8.887
367 HD3 ARG 51 HD1 ARG 51 0.300 -2.092 -9.971
368 HE ARG 51 HE ARG 51 0.269 -0.205 -11.552
369 HH11 ARG 51 HH11 ARG 51 2.959 -0.388 -9.188
370 HH12 ARG 51 HH12 ARG 51 4.031 0.482 -10.184
371 HH21 ARG 51 HH21 ARG 51 1.790 0.986 -12.873
372 HH22 ARG 51 HH22 ARG 51 3.363 1.283 -12.316
373 H LEU 52 HN LEU 52 -2.344 1.219 -5.826
374 HA LEU 52 HA LEU 52 -4.374 -0.723 -6.199
375 HB2 LEU 52 HB2 LEU 52 -3.540 0.889 -3.800
376 HB3 LEU 52 HB1 LEU 52 -4.831 -0.296 -3.739
377 HG LEU 52 HG LEU 52 -1.999 -0.953 -4.547
378 HD11 LEU 52 HD11 LEU 52 -1.797 -1.961 -2.331
379 HD12 LEU 52 HD12 LEU 52 -3.401 -1.356 -1.906
380 HD13 LEU 52 HD13 LEU 52 -2.084 -0.225 -2.214
381 HD21 LEU 52 HD21 LEU 52 -3.707 -2.446 -5.447
382 HD22 LEU 52 HD22 LEU 52 -4.369 -2.677 -3.829
383 HD23 LEU 52 HD23 LEU 52 -2.748 -3.257 -4.208
384 H GLU 53 HN GLU 53 -4.638 2.628 -4.942
385 HA GLU 53 HA GLU 53 -7.232 2.906 -4.890
386 HB2 GLU 53 HB2 GLU 53 -5.157 4.928 -5.687
387 HB3 GLU 53 HB1 GLU 53 -6.823 5.311 -5.269
388 HG2 GLU 53 HG2 GLU 53 -4.874 3.960 -3.429
389 HG3 GLU 53 HG1 GLU 53 -5.263 5.680 -3.457
390 H SER 54 HN SER 54 -5.219 3.605 -7.787
391 HA SER 54 HA SER 54 -7.369 4.444 -9.417
392 HB2 SER 54 HB2 SER 54 -4.984 5.020 -9.830
393 HB3 SER 54 HB1 SER 54 -4.675 3.349 -10.282
394 HG SER 54 HG SER 54 -6.053 3.604 -12.044
395 H ARG 55 HN ARG 55 -6.218 1.302 -8.577
396 HA ARG 55 HA ARG 55 -7.342 -0.058 -10.845
397 HB2 ARG 55 HB2 ARG 55 -5.349 -0.892 -9.658
398 HB3 ARG 55 HB1 ARG 55 -6.303 -1.101 -8.206
399 HG2 ARG 55 HG2 ARG 55 -7.617 -2.835 -9.320
400 HG3 ARG 55 HG1 ARG 55 -6.659 -2.610 -10.786
401 HD2 ARG 55 HD2 ARG 55 -4.649 -3.280 -9.625
402 HD3 ARG 55 HD1 ARG 55 -5.530 -3.394 -8.102
403 HE ARG 55 HE ARG 55 -6.316 -5.057 -10.372
404 HH11 ARG 55 HH11 ARG 55 -4.789 -4.859 -7.186
405 HH12 ARG 55 HH12 ARG 55 -5.083 -6.478 -6.750
406 HH21 ARG 55 HH21 ARG 55 -6.656 -7.326 -9.838
407 HH22 ARG 55 HH22 ARG 55 -6.160 -7.923 -8.313
408 H TYR 56 HN TYR 56 -8.514 1.078 -7.812
409 HA TYR 56 HA TYR 56 -10.885 -0.607 -8.156
410 HB2 TYR 56 HB2 TYR 56 -9.593 0.293 -5.590
411 HB3 TYR 56 HB1 TYR 56 -11.230 -0.352 -5.648
412 HD1 TYR 56 HD2 TYR 56 -7.680 -1.144 -6.196
413 HD2 TYR 56 HD1 TYR 56 -11.623 -2.719 -5.947
414 HE1 TYR 56 HE2 TYR 56 -6.759 -3.415 -6.053
415 HE2 TYR 56 HE1 TYR 56 -10.711 -4.996 -5.786
416 HH TYR 56 HH TYR 56 -8.591 -6.242 -6.399
417 H GLY 57 HN GLY 57 -9.867 2.639 -8.054
418 HA2 GLY 57 HA2 GLY 57 -11.321 4.357 -8.869
419 HA3 GLY 57 HA1 GLY 57 -12.695 3.455 -8.233
420 H VAL 58 HN VAL 58 -9.650 4.448 -6.814
421 HA VAL 58 HA VAL 58 -10.959 6.111 -4.879
422 HB VAL 58 HB VAL 58 -9.205 4.787 -3.197
423 HG11 VAL 58 HG11 VAL 58 -12.006 4.070 -3.912
424 HG12 VAL 58 HG12 VAL 58 -11.519 5.380 -2.788
425 HG13 VAL 58 HG13 VAL 58 -11.174 3.672 -2.400
426 HG21 VAL 58 HG21 VAL 58 -8.934 3.120 -5.138
427 HG22 VAL 58 HG22 VAL 58 -10.580 2.625 -4.753
428 HG23 VAL 58 HG23 VAL 58 -9.311 2.475 -3.540
429 H SER 59 HN SER 59 -8.919 6.970 -3.266
430 HA SER 59 HA SER 59 -6.624 7.645 -4.878
431 HB2 SER 59 HB2 SER 59 -8.580 9.841 -4.140
432 HB3 SER 59 HB1 SER 59 -7.009 10.068 -4.904
433 HG SER 59 HG SER 59 -8.400 8.264 -6.252
434 H ILE 60 HN ILE 60 -4.979 7.495 -3.402
435 HA ILE 60 HA ILE 60 -5.350 8.427 -0.650
436 HB ILE 60 HB ILE 60 -2.977 7.008 -1.958
437 HG12 ILE 60 HG12 ILE 60 -4.885 5.508 -1.540
438 HG13 ILE 60 HG11 ILE 60 -3.526 5.101 -0.501
439 HG21 ILE 60 HG21 ILE 60 -3.245 7.837 0.932
440 HG22 ILE 60 HG22 ILE 60 -2.104 8.488 -0.242
441 HG23 ILE 60 HG23 ILE 60 -1.957 6.820 0.298
442 HD11 ILE 60 HD11 ILE 60 -5.626 4.961 0.676
443 HD12 ILE 60 HD12 ILE 60 -5.982 6.643 0.282
444 HD13 ILE 60 HD13 ILE 60 -4.628 6.252 1.342
445 HA PRO 61 HA PRO 61 -3.722 12.389 -1.989
446 HB2 PRO 61 HB2 PRO 61 -3.515 12.826 0.939
447 HB3 PRO 61 HB1 PRO 61 -4.335 13.799 -0.289
448 HG2 PRO 61 HG2 PRO 61 -5.737 12.309 1.402
449 HG3 PRO 61 HG1 PRO 61 -6.214 12.434 -0.301
450 HD2 PRO 61 HD2 PRO 61 -4.760 10.217 1.099
451 HD3 PRO 61 HD1 PRO 61 -6.067 10.123 -0.101
452 H ASP 62 HN ASP 62 -1.810 13.376 -2.073
453 HA ASP 62 HA ASP 62 0.484 11.858 -2.025
454 HB2 ASP 62 HB2 ASP 62 1.744 14.040 -2.390
455 HB3 ASP 62 HB1 ASP 62 0.484 13.643 -3.544
456 H ASP 63 HN ASP 63 -0.249 14.406 0.380
457 HA ASP 63 HA ASP 63 2.162 13.925 1.818
458 HB2 ASP 63 HB2 ASP 63 1.015 16.043 2.141
459 HB3 ASP 63 HB1 ASP 63 -0.407 15.215 2.773
460 H VAL 64 HN VAL 64 -0.959 12.523 1.903
461 HA VAL 64 HA VAL 64 -0.734 11.179 4.413
462 HB VAL 64 HB VAL 64 -2.460 10.525 2.018
463 HG11 VAL 64 HG11 VAL 64 -3.933 9.383 3.652
464 HG12 VAL 64 HG12 VAL 64 -2.763 9.729 4.927
465 HG13 VAL 64 HG13 VAL 64 -2.327 8.654 3.599
466 HG21 VAL 64 HG21 VAL 64 -3.070 12.214 4.448
467 HG22 VAL 64 HG22 VAL 64 -4.231 11.777 3.190
468 HG23 VAL 64 HG23 VAL 64 -2.847 12.794 2.796
469 H ALA 65 HN ALA 65 -0.251 10.238 1.037
470 HA ALA 65 HA ALA 65 0.534 7.595 1.521
471 HB1 ALA 65 HB1 ALA 65 1.387 9.409 -0.739
472 HB2 ALA 65 HB2 ALA 65 -0.075 8.418 -0.715
473 HB3 ALA 65 HB3 ALA 65 1.514 7.648 -0.713
474 H GLY 66 HN GLY 66 2.460 10.569 1.079
475 HA2 GLY 66 HA2 GLY 66 4.901 9.247 1.904
476 HA3 GLY 66 HA1 GLY 66 4.702 10.968 1.572
477 H ARG 67 HN ARG 67 3.203 8.728 3.786
478 HA ARG 67 HA ARG 67 4.155 10.096 6.154
479 HB2 ARG 67 HB2 ARG 67 2.222 11.437 5.644
480 HB3 ARG 67 HB1 ARG 67 1.240 10.006 5.386
481 HG2 ARG 67 HG2 ARG 67 1.460 9.450 7.755
482 HG3 ARG 67 HG1 ARG 67 2.408 10.922 7.993
483 HD2 ARG 67 HD2 ARG 67 0.528 12.270 7.259
484 HD3 ARG 67 HD1 ARG 67 -0.418 10.807 6.967
485 HE ARG 67 HE ARG 67 0.629 11.057 9.613
486 HH11 ARG 67 HH11 ARG 67 -2.063 11.988 7.536
487 HH12 ARG 67 HH12 ARG 67 -3.247 11.955 8.771
488 HH21 ARG 67 HH21 ARG 67 -0.956 11.098 11.331
489 HH22 ARG 67 HH22 ARG 67 -2.576 11.530 11.021
490 H VAL 68 HN VAL 68 1.723 7.777 4.919
491 HA VAL 68 HA VAL 68 1.439 6.148 7.084
492 HB VAL 68 HB VAL 68 0.901 4.257 5.513
493 HG11 VAL 68 HG11 VAL 68 -0.322 6.932 4.912
494 HG12 VAL 68 HG12 VAL 68 -0.766 5.840 6.225
495 HG13 VAL 68 HG13 VAL 68 -1.047 5.366 4.551
496 HG21 VAL 68 HG21 VAL 68 0.776 4.763 3.085
497 HG22 VAL 68 HG22 VAL 68 2.443 4.753 3.647
498 HG23 VAL 68 HG23 VAL 68 1.609 6.282 3.365
499 H ASP 69 HN ASP 69 2.573 4.804 8.227
500 HA ASP 69 HA ASP 69 5.342 4.424 7.387
501 HB2 ASP 69 HB2 ASP 69 4.109 4.185 10.132
502 HB3 ASP 69 HB1 ASP 69 5.807 3.919 9.754
503 H THR 70 HN THR 70 2.569 2.708 8.533
504 HA THR 70 HA THR 70 4.030 0.236 7.962
505 HB THR 70 HB THR 70 2.262 -0.870 9.377
506 HG1 THR 70 HG1 THR 70 1.541 1.857 9.866
507 HG21 THR 70 HG21 THR 70 3.772 1.366 10.718
508 HG22 THR 70 HG22 THR 70 4.425 -0.239 10.359
509 HG23 THR 70 HG23 THR 70 3.111 -0.055 11.529
510 HA PRO 71 HA PRO 71 1.523 -0.386 4.273
511 HB2 PRO 71 HB2 PRO 71 1.797 -3.224 5.164
512 HB3 PRO 71 HB1 PRO 71 2.014 -2.538 3.548
513 HG2 PRO 71 HG2 PRO 71 4.145 -3.120 4.959
514 HG3 PRO 71 HG1 PRO 71 4.074 -1.547 4.134
515 HD2 PRO 71 HD2 PRO 71 3.628 -2.181 7.033
516 HD3 PRO 71 HD1 PRO 71 4.520 -0.826 6.303
517 H ARG 72 HN ARG 72 0.718 -1.713 7.396
518 HA ARG 72 HA ARG 72 -1.852 -2.612 6.736
519 HB2 ARG 72 HB2 ARG 72 -2.390 -2.453 9.167
520 HB3 ARG 72 HB1 ARG 72 -0.905 -3.326 8.827
521 HG2 ARG 72 HG2 ARG 72 0.407 -1.441 9.512
522 HG3 ARG 72 HG1 ARG 72 -1.046 -0.460 9.712
523 HD2 ARG 72 HD2 ARG 72 -0.434 -2.978 11.244
524 HD3 ARG 72 HD1 ARG 72 -0.152 -1.342 11.839
525 HE ARG 72 HE ARG 72 -2.842 -1.692 10.980
526 HH11 ARG 72 HH11 ARG 72 -0.705 -2.692 13.620
527 HH12 ARG 72 HH12 ARG 72 -1.904 -2.567 14.813
528 HH21 ARG 72 HH21 ARG 72 -4.485 -1.476 12.621
529 HH22 ARG 72 HH22 ARG 72 -4.098 -1.858 14.246
530 H GLU 73 HN GLU 73 -0.555 0.553 7.647
531 HA GLU 73 HA GLU 73 -2.971 1.954 8.039
532 HB2 GLU 73 HB2 GLU 73 -0.241 2.871 7.150
533 HB3 GLU 73 HB1 GLU 73 -1.564 3.977 7.450
534 HG2 GLU 73 HG2 GLU 73 -1.615 3.348 9.759
535 HG3 GLU 73 HG1 GLU 73 -0.388 2.109 9.477
536 H LEU 74 HN LEU 74 -1.026 1.228 5.247
537 HA LEU 74 HA LEU 74 -2.350 2.899 3.392
538 HB2 LEU 74 HB2 LEU 74 -0.087 1.656 3.174
539 HB3 LEU 74 HB1 LEU 74 -1.031 0.247 2.760
540 HG LEU 74 HG LEU 74 -1.040 2.810 1.144
541 HD11 LEU 74 HD11 LEU 74 0.431 1.632 -0.412
542 HD12 LEU 74 HD12 LEU 74 0.534 0.279 0.716
543 HD13 LEU 74 HD13 LEU 74 1.189 1.853 1.163
544 HD21 LEU 74 HD21 LEU 74 -3.011 1.385 0.803
545 HD22 LEU 74 HD22 LEU 74 -1.957 0.013 0.467
546 HD23 LEU 74 HD23 LEU 74 -1.974 1.401 -0.623
547 H LEU 75 HN LEU 75 -2.792 -0.486 4.321
548 HA LEU 75 HA LEU 75 -5.062 -0.981 2.696
549 HB2 LEU 75 HB2 LEU 75 -3.766 -2.830 3.514
550 HB3 LEU 75 HB1 LEU 75 -4.010 -2.342 5.175
551 HG LEU 75 HG LEU 75 -6.376 -2.953 5.025
552 HD11 LEU 75 HD11 LEU 75 -5.746 -3.877 2.222
553 HD12 LEU 75 HD12 LEU 75 -6.755 -2.499 2.666
554 HD13 LEU 75 HD13 LEU 75 -7.268 -4.123 3.080
555 HD21 LEU 75 HD21 LEU 75 -4.763 -4.620 5.760
556 HD22 LEU 75 HD22 LEU 75 -4.516 -5.133 4.091
557 HD23 LEU 75 HD23 LEU 75 -6.081 -5.376 4.867
558 H ASP 76 HN ASP 76 -4.634 0.297 5.890
559 HA ASP 76 HA ASP 76 -7.296 0.166 6.830
560 HB2 ASP 76 HB2 ASP 76 -5.299 0.457 8.262
561 HB3 ASP 76 HB1 ASP 76 -5.047 2.048 7.571
562 H LEU 77 HN LEU 77 -5.388 2.705 5.304
563 HA LEU 77 HA LEU 77 -7.279 4.741 5.147
564 HB2 LEU 77 HB2 LEU 77 -5.150 3.992 3.154
565 HB3 LEU 77 HB1 LEU 77 -6.038 5.491 3.140
566 HG LEU 77 HG LEU 77 -4.073 4.594 5.244
567 HD11 LEU 77 HD11 LEU 77 -3.942 6.740 3.140
568 HD12 LEU 77 HD12 LEU 77 -3.046 5.230 3.141
569 HD13 LEU 77 HD13 LEU 77 -2.724 6.439 4.374
570 HD21 LEU 77 HD21 LEU 77 -5.635 7.168 5.006
571 HD22 LEU 77 HD22 LEU 77 -4.374 6.828 6.193
572 HD23 LEU 77 HD23 LEU 77 -5.884 5.922 6.227
573 H ILE 78 HN ILE 78 -6.440 2.285 2.722
574 HA ILE 78 HA ILE 78 -8.486 2.970 0.930
575 HB ILE 78 HB ILE 78 -7.000 0.347 1.161
576 HG12 ILE 78 HG12 ILE 78 -6.417 2.868 -0.396
577 HG13 ILE 78 HG11 ILE 78 -5.430 2.127 0.861
578 HG21 ILE 78 HG21 ILE 78 -9.028 0.125 -0.203
579 HG22 ILE 78 HG22 ILE 78 -7.589 0.026 -1.214
580 HG23 ILE 78 HG23 ILE 78 -8.537 1.515 -1.173
581 HD11 ILE 78 HD11 ILE 78 -4.477 1.722 -1.337
582 HD12 ILE 78 HD12 ILE 78 -6.017 1.022 -1.849
583 HD13 ILE 78 HD13 ILE 78 -5.056 0.198 -0.623
584 H ASN 79 HN ASN 79 -8.476 0.986 3.723
585 HA ASN 79 HA ASN 79 -10.808 -0.522 3.213
586 HB2 ASN 79 HB2 ASN 79 -9.087 -0.068 5.469
587 HB3 ASN 79 HB1 ASN 79 -10.772 0.006 5.986
588 HD21 ASN 79 HD21 ASN 79 -8.333 -1.966 4.502
589 HD22 ASN 79 HD22 ASN 79 -9.125 -3.486 4.751
590 H GLY 80 HN GLY 80 -10.327 2.697 4.503
591 HA2 GLY 80 HA2 GLY 80 -13.161 3.097 4.892
592 HA3 GLY 80 HA1 GLY 80 -11.896 4.310 5.080
593 H ALA 81 HN ALA 81 -10.810 3.578 2.429
594 HA ALA 81 HA ALA 81 -12.194 5.526 0.902
595 HB1 ALA 81 HB1 ALA 81 -9.782 5.182 0.719
596 HB2 ALA 81 HB2 ALA 81 -10.567 4.960 -0.843
597 HB3 ALA 81 HB3 ALA 81 -10.054 3.554 0.096
598 H LEU 82 HN LEU 82 -11.773 2.034 0.630
599 HA LEU 82 HA LEU 82 -13.572 1.750 -1.540
600 HB2 LEU 82 HB2 LEU 82 -12.215 -0.236 0.253
601 HB3 LEU 82 HB1 LEU 82 -13.320 -0.719 -1.012
602 HG LEU 82 HG LEU 82 -10.659 0.708 -1.400
603 HD11 LEU 82 HD11 LEU 82 -10.004 -1.333 -2.513
604 HD12 LEU 82 HD12 LEU 82 -11.566 -2.059 -2.129
605 HD13 LEU 82 HD13 LEU 82 -10.449 -1.639 -0.833
606 HD21 LEU 82 HD21 LEU 82 -11.108 0.469 -3.781
607 HD22 LEU 82 HD22 LEU 82 -12.336 1.477 -3.017
608 HD23 LEU 82 HD23 LEU 82 -12.703 -0.200 -3.428
609 H ALA 83 HN ALA 83 -14.143 2.310 1.659
610 HA ALA 83 HA ALA 83 -16.416 0.652 2.066
611 HB1 ALA 83 HB1 ALA 83 -16.920 2.127 3.950
612 HB2 ALA 83 HB2 ALA 83 -15.721 3.285 3.374
613 HB3 ALA 83 HB3 ALA 83 -15.212 1.693 3.934
614 H GLU 84 HN GLU 84 -15.836 3.432 0.224
615 HA GLU 84 HA GLU 84 -18.641 4.190 0.012
616 HB2 GLU 84 HB2 GLU 84 -16.139 5.358 -1.224
617 HB3 GLU 84 HB1 GLU 84 -17.758 5.987 -1.490
618 HG2 GLU 84 HG2 GLU 84 -16.358 5.825 1.169
619 HG3 GLU 84 HG1 GLU 84 -16.539 7.277 0.182
620 H ALA 85 HN ALA 85 -16.822 1.816 -1.244
621 HA ALA 85 HA ALA 85 -17.799 2.053 -3.970
622 HB1 ALA 85 HB1 ALA 85 -16.333 0.138 -4.430
623 HB2 ALA 85 HB2 ALA 85 -15.902 0.062 -2.721
624 HB3 ALA 85 HB3 ALA 85 -15.437 1.462 -3.685
625 H ALA 86 HN ALA 86 -19.009 0.372 -4.860
626 HA ALA 86 HA ALA 86 -20.350 -1.364 -2.917
627 HB1 ALA 86 HB1 ALA 86 -22.438 -1.068 -4.185
628 HB2 ALA 86 HB2 ALA 86 -21.619 0.075 -5.255
629 HB3 ALA 86 HB3 ALA 86 -21.843 0.468 -3.552
630 H28 SXM 87 H28A SXM 87 8.072 13.381 -1.418
631 H28A SXM 87 H28B SXM 87 7.036 12.434 -2.483
632 H30 SXM 87 H30A SXM 87 5.278 11.249 -0.402
633 H30A SXM 87 H30B SXM 87 4.748 11.976 -1.919
634 H30B SXM 87 H30C SXM 87 4.058 12.522 -0.389
635 H31 SXM 87 H31C SXM 87 5.479 13.886 1.209
636 H31A SXM 87 H31A SXM 87 7.160 14.216 0.789
637 H31B SXM 87 H31B SXM 87 6.665 12.579 1.217
638 H32 SXM 87 H32A SXM 87 5.285 14.257 -2.496
639 HO33 SXM 87 H33A SXM 87 6.521 16.106 -2.333
640 HN36 SXM 87 H36A SXM 87 5.028 16.869 -1.965
641 H37 SXM 87 H37B SXM 87 3.526 17.696 0.221
642 H37A SXM 87 H37A SXM 87 2.408 17.112 -1.011
643 H38 SXM 87 H38A SXM 87 2.759 19.521 -1.190
644 H38A SXM 87 H38B SXM 87 4.489 19.259 -1.378
645 HN41 SXM 87 H41A SXM 87 3.856 20.639 -3.221
646 H42 SXM 87 H42A SXM 87 4.049 19.249 -5.673
647 H42A SXM 87 H42B SXM 87 2.437 19.928 -5.465
648 H43 SXM 87 H43A SXM 87 3.787 21.547 -6.625
649 H43A SXM 87 H43B SXM 87 5.018 21.436 -5.362
650 H2 SXM 87 H2A SXM 87 2.565 25.027 -4.048
651 H2A SXM 87 H2B SXM 87 3.257 25.961 -5.366
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -19.332 -6.826 2.750
2 H2 MET 1 HT2 MET 1 -20.904 -6.229 2.802
3 H3 MET 1 HT3 MET 1 -20.296 -7.123 4.113
4 HA MET 1 HA MET 1 -20.426 -4.742 4.523
5 HB2 MET 1 HB2 MET 1 -18.871 -6.156 5.790
6 HB3 MET 1 HB1 MET 1 -17.661 -5.981 4.530
7 HG2 MET 1 HG2 MET 1 -17.160 -4.573 6.440
8 HG3 MET 1 HG1 MET 1 -17.493 -3.602 5.007
9 HE1 MET 1 HE1 MET 1 -20.513 -4.209 8.447
10 HE2 MET 1 HE2 MET 1 -18.902 -4.927 8.425
11 HE3 MET 1 HE3 MET 1 -20.124 -5.460 7.267
12 H ALA 2 HN ALA 2 -17.482 -5.355 2.580
13 HA ALA 2 HA ALA 2 -18.106 -3.466 0.580
14 HB1 ALA 2 HB1 ALA 2 -17.598 -1.850 2.369
15 HB2 ALA 2 HB2 ALA 2 -16.352 -1.818 1.122
16 HB3 ALA 2 HB3 ALA 2 -16.050 -2.643 2.650
17 H THR 3 HN THR 3 -16.810 -3.925 -1.130
18 HA THR 3 HA THR 3 -14.994 -6.108 -1.018
19 HB THR 3 HB THR 3 -15.196 -4.000 -3.092
20 HG1 THR 3 HG1 THR 3 -17.151 -4.683 -3.568
21 HG21 THR 3 HG21 THR 3 -13.452 -5.667 -3.433
22 HG22 THR 3 HG22 THR 3 -14.719 -5.873 -4.641
23 HG23 THR 3 HG23 THR 3 -14.632 -6.968 -3.261
24 H LEU 4 HN LEU 4 -13.130 -5.787 0.130
25 HA LEU 4 HA LEU 4 -11.689 -3.218 -0.148
26 HB2 LEU 4 HB2 LEU 4 -11.382 -5.309 2.006
27 HB3 LEU 4 HB1 LEU 4 -10.631 -3.728 1.966
28 HG LEU 4 HG LEU 4 -13.545 -4.320 2.304
29 HD11 LEU 4 HD11 LEU 4 -11.511 -3.270 4.246
30 HD12 LEU 4 HD12 LEU 4 -12.276 -4.861 4.274
31 HD13 LEU 4 HD13 LEU 4 -13.241 -3.411 4.562
32 HD21 LEU 4 HD21 LEU 4 -13.792 -1.900 2.741
33 HD22 LEU 4 HD22 LEU 4 -13.292 -2.261 1.091
34 HD23 LEU 4 HD23 LEU 4 -12.110 -1.670 2.252
35 H LEU 5 HN LEU 5 -9.247 -3.601 0.270
36 HA LEU 5 HA LEU 5 -8.282 -5.546 -1.625
37 HB2 LEU 5 HB2 LEU 5 -6.832 -3.622 0.219
38 HB3 LEU 5 HB1 LEU 5 -6.029 -4.726 -0.881
39 HG LEU 5 HG LEU 5 -7.823 -2.433 -1.617
40 HD11 LEU 5 HD11 LEU 5 -5.643 -1.787 -0.724
41 HD12 LEU 5 HD12 LEU 5 -5.747 -1.474 -2.455
42 HD13 LEU 5 HD13 LEU 5 -4.853 -2.874 -1.864
43 HD21 LEU 5 HD21 LEU 5 -7.118 -2.923 -3.887
44 HD22 LEU 5 HD22 LEU 5 -7.992 -4.283 -3.182
45 HD23 LEU 5 HD23 LEU 5 -6.235 -4.335 -3.312
46 H THR 6 HN THR 6 -7.283 -7.477 -1.095
47 HA THR 6 HA THR 6 -7.539 -8.313 1.652
48 HB THR 6 HB THR 6 -6.598 -10.471 0.848
49 HG1 THR 6 HG1 THR 6 -6.583 -9.302 -1.744
50 HG21 THR 6 HG21 THR 6 -8.391 -11.075 -0.724
51 HG22 THR 6 HG22 THR 6 -8.730 -9.368 -1.000
52 HG23 THR 6 HG23 THR 6 -9.020 -10.080 0.588
53 H THR 7 HN THR 7 -5.288 -9.696 2.290
54 HA THR 7 HA THR 7 -3.340 -7.616 2.504
55 HB THR 7 HB THR 7 -3.014 -10.527 3.308
56 HG1 THR 7 HG1 THR 7 -3.844 -8.700 5.241
57 HG21 THR 7 HG21 THR 7 -1.014 -9.109 3.419
58 HG22 THR 7 HG22 THR 7 -1.547 -9.546 5.043
59 HG23 THR 7 HG23 THR 7 -1.888 -7.938 4.398
60 H ASP 8 HN ASP 8 -4.131 -10.238 0.477
61 HA ASP 8 HA ASP 8 -1.543 -10.725 -0.633
62 HB2 ASP 8 HB2 ASP 8 -3.375 -12.411 -0.657
63 HB3 ASP 8 HB1 ASP 8 -4.243 -11.395 -1.803
64 H ASP 9 HN ASP 9 -4.421 -8.938 -1.656
65 HA ASP 9 HA ASP 9 -3.515 -7.902 -4.113
66 HB2 ASP 9 HB2 ASP 9 -5.295 -6.581 -2.042
67 HB3 ASP 9 HB1 ASP 9 -4.932 -5.841 -3.589
68 H LEU 10 HN LEU 10 -3.229 -6.610 -0.885
69 HA LEU 10 HA LEU 10 -1.740 -4.318 -1.473
70 HB2 LEU 10 HB2 LEU 10 -2.950 -4.788 0.647
71 HB3 LEU 10 HB1 LEU 10 -1.744 -5.988 1.042
72 HG LEU 10 HG LEU 10 -0.032 -4.184 1.111
73 HD11 LEU 10 HD11 LEU 10 -0.767 -1.870 1.198
74 HD12 LEU 10 HD12 LEU 10 -2.415 -2.380 0.814
75 HD13 LEU 10 HD13 LEU 10 -1.123 -2.600 -0.371
76 HD21 LEU 10 HD21 LEU 10 -1.088 -4.956 3.155
77 HD22 LEU 10 HD22 LEU 10 -2.427 -3.840 2.905
78 HD23 LEU 10 HD23 LEU 10 -0.811 -3.215 3.236
79 H ARG 11 HN ARG 11 -0.739 -7.548 -0.394
80 HA ARG 11 HA ARG 11 1.983 -7.219 -0.205
81 HB2 ARG 11 HB2 ARG 11 0.849 -9.243 0.545
82 HB3 ARG 11 HB1 ARG 11 0.503 -9.690 -1.115
83 HG2 ARG 11 HG2 ARG 11 2.899 -9.901 -1.561
84 HG3 ARG 11 HG1 ARG 11 3.243 -9.456 0.108
85 HD2 ARG 11 HD2 ARG 11 3.370 -11.863 -0.190
86 HD3 ARG 11 HD1 ARG 11 2.038 -11.436 0.883
87 HE ARG 11 HE ARG 11 0.541 -11.814 -1.041
88 HH11 ARG 11 HH11 ARG 11 3.797 -13.142 -1.371
89 HH12 ARG 11 HH12 ARG 11 3.288 -14.580 -2.132
90 HH21 ARG 11 HH21 ARG 11 -0.136 -13.694 -2.225
91 HH22 ARG 11 HH22 ARG 11 0.985 -14.869 -2.709
92 H ARG 12 HN ARG 12 0.220 -8.376 -3.088
93 HA ARG 12 HA ARG 12 2.596 -8.670 -4.576
94 HB2 ARG 12 HB2 ARG 12 -0.253 -8.514 -5.507
95 HB3 ARG 12 HB1 ARG 12 1.101 -8.788 -6.592
96 HG2 ARG 12 HG2 ARG 12 0.190 -10.560 -4.337
97 HG3 ARG 12 HG1 ARG 12 0.093 -10.888 -6.067
98 HD2 ARG 12 HD2 ARG 12 2.679 -10.634 -6.038
99 HD3 ARG 12 HD1 ARG 12 2.515 -10.804 -4.295
100 HE ARG 12 HE ARG 12 1.117 -12.827 -5.650
101 HH11 ARG 12 HH11 ARG 12 4.274 -12.057 -4.216
102 HH12 ARG 12 HH12 ARG 12 5.023 -13.507 -4.668
103 HH21 ARG 12 HH21 ARG 12 2.145 -14.846 -6.286
104 HH22 ARG 12 HH22 ARG 12 3.771 -15.179 -5.905
105 H ALA 13 HN ALA 13 0.377 -5.964 -4.315
106 HA ALA 13 HA ALA 13 1.542 -4.461 -6.413
107 HB1 ALA 13 HB1 ALA 13 0.085 -3.483 -3.953
108 HB2 ALA 13 HB2 ALA 13 -0.671 -3.934 -5.480
109 HB3 ALA 13 HB3 ALA 13 0.405 -2.537 -5.406
110 H LEU 14 HN LEU 14 2.254 -4.840 -3.016
111 HA LEU 14 HA LEU 14 4.259 -2.870 -2.872
112 HB2 LEU 14 HB2 LEU 14 3.407 -5.135 -1.199
113 HB3 LEU 14 HB1 LEU 14 5.083 -4.672 -1.029
114 HG LEU 14 HG LEU 14 4.396 -2.403 -0.394
115 HD11 LEU 14 HD11 LEU 14 2.073 -1.904 0.134
116 HD12 LEU 14 HD12 LEU 14 1.582 -3.466 -0.523
117 HD13 LEU 14 HD13 LEU 14 2.282 -2.244 -1.584
118 HD21 LEU 14 HD21 LEU 14 3.116 -4.604 1.188
119 HD22 LEU 14 HD22 LEU 14 3.536 -2.999 1.806
120 HD23 LEU 14 HD23 LEU 14 4.800 -4.108 1.264
121 H VAL 15 HN VAL 15 4.390 -6.330 -3.447
122 HA VAL 15 HA VAL 15 7.119 -6.772 -3.577
123 HB VAL 15 HB VAL 15 5.093 -8.018 -5.463
124 HG11 VAL 15 HG11 VAL 15 6.639 -9.920 -5.519
125 HG12 VAL 15 HG12 VAL 15 7.766 -9.024 -4.496
126 HG13 VAL 15 HG13 VAL 15 7.399 -8.444 -6.120
127 HG21 VAL 15 HG21 VAL 15 5.963 -8.912 -2.721
128 HG22 VAL 15 HG22 VAL 15 4.910 -9.812 -3.809
129 HG23 VAL 15 HG23 VAL 15 4.381 -8.264 -3.147
130 H GLU 16 HN GLU 16 5.017 -5.945 -6.316
131 HA GLU 16 HA GLU 16 7.048 -5.860 -8.226
132 HB2 GLU 16 HB2 GLU 16 5.410 -4.770 -9.688
133 HB3 GLU 16 HB1 GLU 16 4.726 -6.145 -8.831
134 HG2 GLU 16 HG2 GLU 16 3.628 -4.654 -7.270
135 HG3 GLU 16 HG1 GLU 16 4.310 -3.265 -8.116
136 H SER 17 HN SER 17 5.958 -3.330 -6.031
137 HA SER 17 HA SER 17 7.558 -1.452 -7.582
138 HB2 SER 17 HB2 SER 17 6.319 0.313 -6.292
139 HB3 SER 17 HB1 SER 17 5.336 -0.680 -7.367
140 HG SER 17 HG SER 17 4.513 -1.773 -5.631
141 H ALA 18 HN ALA 18 7.948 -3.348 -4.916
142 HA ALA 18 HA ALA 18 9.479 -1.517 -3.277
143 HB1 ALA 18 HB1 ALA 18 9.241 -4.519 -3.148
144 HB2 ALA 18 HB2 ALA 18 8.229 -3.367 -2.270
145 HB3 ALA 18 HB3 ALA 18 9.954 -3.485 -1.910
146 H GLY 19 HN GLY 19 10.153 -2.379 -6.118
147 HA2 GLY 19 HA2 GLY 19 12.874 -2.069 -6.097
148 HA3 GLY 19 HA1 GLY 19 12.589 -3.809 -6.040
149 H GLU 20 HN GLU 20 13.405 -4.137 -8.058
150 HA GLU 20 HA GLU 20 11.831 -2.990 -10.277
151 HB2 GLU 20 HB2 GLU 20 14.249 -2.383 -10.227
152 HB3 GLU 20 HB1 GLU 20 14.636 -4.094 -10.388
153 HG2 GLU 20 HG2 GLU 20 14.808 -3.104 -12.535
154 HG3 GLU 20 HG1 GLU 20 13.357 -4.103 -12.521
155 H THR 21 HN THR 21 10.450 -4.403 -11.087
156 HA THR 21 HA THR 21 9.423 -6.289 -11.756
157 HB THR 21 HB THR 21 12.209 -7.373 -12.282
158 HG1 THR 21 HG1 THR 21 12.378 -5.899 -13.791
159 HG21 THR 21 HG21 THR 21 10.370 -8.986 -12.583
160 HG22 THR 21 HG22 THR 21 11.101 -8.566 -14.133
161 HG23 THR 21 HG23 THR 21 9.555 -7.856 -13.666
162 H ASP 22 HN ASP 22 8.778 -6.573 -9.654
163 HA ASP 22 HA ASP 22 8.420 -7.558 -7.647
164 HB2 ASP 22 HB2 ASP 22 9.869 -9.997 -8.779
165 HB3 ASP 22 HB1 ASP 22 8.874 -9.964 -7.333
166 H GLY 23 HN GLY 23 9.609 -6.140 -6.567
167 HA2 GLY 23 HA2 GLY 23 12.423 -6.253 -6.292
168 HA3 GLY 23 HA1 GLY 23 11.311 -5.303 -5.308
169 H THR 24 HN THR 24 9.843 -6.944 -3.936
170 HA THR 24 HA THR 24 11.208 -9.226 -2.980
171 HB THR 24 HB THR 24 12.540 -7.467 -1.845
172 HG1 THR 24 HG1 THR 24 12.542 -8.448 0.061
173 HG21 THR 24 HG21 THR 24 10.875 -5.667 -1.709
174 HG22 THR 24 HG22 THR 24 11.541 -6.015 -0.115
175 HG23 THR 24 HG23 THR 24 9.937 -6.610 -0.550
176 H ASP 25 HN ASP 25 9.664 -10.600 -2.401
177 HA ASP 25 HA ASP 25 6.936 -9.670 -2.076
178 HB2 ASP 25 HB2 ASP 25 7.255 -11.681 -3.383
179 HB3 ASP 25 HB1 ASP 25 8.155 -12.435 -2.076
180 H LEU 26 HN LEU 26 5.738 -9.808 -0.254
181 HA LEU 26 HA LEU 26 7.364 -10.128 2.134
182 HB2 LEU 26 HB2 LEU 26 4.947 -8.341 1.826
183 HB3 LEU 26 HB1 LEU 26 5.894 -8.540 3.279
184 HG LEU 26 HG LEU 26 6.572 -6.506 2.471
185 HD11 LEU 26 HD11 LEU 26 8.866 -6.721 1.687
186 HD12 LEU 26 HD12 LEU 26 8.581 -8.436 1.378
187 HD13 LEU 26 HD13 LEU 26 8.486 -7.808 3.023
188 HD21 LEU 26 HD21 LEU 26 6.699 -7.639 -0.325
189 HD22 LEU 26 HD22 LEU 26 7.127 -5.988 0.128
190 HD23 LEU 26 HD23 LEU 26 5.464 -6.550 0.307
191 H SER 27 HN SER 27 6.812 -12.325 1.871
192 HA SER 27 HA SER 27 4.159 -13.200 2.418
193 HB2 SER 27 HB2 SER 27 5.314 -15.420 2.876
194 HB3 SER 27 HB1 SER 27 5.626 -14.725 1.285
195 HG SER 27 HG SER 27 7.397 -13.865 3.159
196 H GLY 28 HN GLY 28 3.135 -13.324 4.298
197 HA2 GLY 28 HA2 GLY 28 3.220 -13.930 6.674
198 HA3 GLY 28 HA1 GLY 28 4.700 -12.975 6.775
199 H ASP 29 HN ASP 29 3.761 -11.603 8.400
200 HA ASP 29 HA ASP 29 1.632 -9.900 7.330
201 HB2 ASP 29 HB2 ASP 29 1.248 -10.948 9.598
202 HB3 ASP 29 HB1 ASP 29 2.582 -9.962 10.195
203 H PHE 30 HN PHE 30 2.505 -8.380 6.257
204 HA PHE 30 HA PHE 30 4.940 -7.138 7.207
205 HB2 PHE 30 HB2 PHE 30 4.894 -5.967 4.963
206 HB3 PHE 30 HB1 PHE 30 5.046 -7.716 4.904
207 HD1 PHE 30 HD2 PHE 30 3.159 -9.087 4.162
208 HD2 PHE 30 HD1 PHE 30 2.977 -4.848 4.104
209 HE1 PHE 30 HE2 PHE 30 1.232 -9.189 2.660
210 HE2 PHE 30 HE1 PHE 30 1.043 -4.942 2.600
211 HZ PHE 30 HZ PHE 30 0.165 -7.146 1.881
212 H LEU 31 HN LEU 31 1.795 -6.716 7.869
213 HA LEU 31 HA LEU 31 1.653 -3.849 7.626
214 HB2 LEU 31 HB2 LEU 31 -0.166 -5.911 8.859
215 HB3 LEU 31 HB1 LEU 31 -0.427 -4.213 9.164
216 HG LEU 31 HG LEU 31 -0.699 -3.881 6.697
217 HD11 LEU 31 HD11 LEU 31 -0.730 -6.881 6.597
218 HD12 LEU 31 HD12 LEU 31 0.483 -5.807 5.881
219 HD13 LEU 31 HD13 LEU 31 -1.184 -5.772 5.298
220 HD21 LEU 31 HD21 LEU 31 -2.956 -4.820 6.614
221 HD22 LEU 31 HD22 LEU 31 -2.609 -4.032 8.154
222 HD23 LEU 31 HD23 LEU 31 -2.596 -5.791 8.042
223 H ASP 32 HN ASP 32 2.462 -6.229 9.963
224 HA ASP 32 HA ASP 32 2.750 -4.547 12.218
225 HB2 ASP 32 HB2 ASP 32 2.622 -6.965 12.455
226 HB3 ASP 32 HB1 ASP 32 4.087 -7.167 11.508
227 H LEU 33 HN LEU 33 4.629 -4.971 9.421
228 HA LEU 33 HA LEU 33 7.032 -3.795 10.586
229 HB2 LEU 33 HB2 LEU 33 6.450 -4.806 7.806
230 HB3 LEU 33 HB1 LEU 33 7.972 -4.108 8.309
231 HG LEU 33 HG LEU 33 6.786 -6.673 9.362
232 HD11 LEU 33 HD11 LEU 33 9.099 -6.148 7.502
233 HD12 LEU 33 HD12 LEU 33 7.539 -6.838 7.051
234 HD13 LEU 33 HD13 LEU 33 8.614 -7.725 8.129
235 HD21 LEU 33 HD21 LEU 33 9.460 -5.365 9.884
236 HD22 LEU 33 HD22 LEU 33 8.960 -6.957 10.456
237 HD23 LEU 33 HD23 LEU 33 8.136 -5.514 11.042
238 H ARG 34 HN ARG 34 8.038 -2.047 9.262
239 HA ARG 34 HA ARG 34 6.029 -0.073 8.447
240 HB2 ARG 34 HB2 ARG 34 8.988 0.199 8.994
241 HB3 ARG 34 HB1 ARG 34 7.864 1.510 8.688
242 HG2 ARG 34 HG2 ARG 34 6.762 1.115 10.786
243 HG3 ARG 34 HG1 ARG 34 7.749 -0.326 11.069
244 HD2 ARG 34 HD2 ARG 34 9.750 1.016 11.123
245 HD3 ARG 34 HD1 ARG 34 8.831 2.457 10.717
246 HE ARG 34 HE ARG 34 7.992 1.136 13.119
247 HH11 ARG 34 HH11 ARG 34 10.250 3.502 11.724
248 HH12 ARG 34 HH12 ARG 34 10.389 4.447 13.132
249 HH21 ARG 34 HH21 ARG 34 8.253 2.353 15.112
250 HH22 ARG 34 HH22 ARG 34 9.179 3.790 15.126
251 H PHE 35 HN PHE 35 6.795 1.240 6.496
252 HA PHE 35 HA PHE 35 7.535 -0.517 4.399
253 HB2 PHE 35 HB2 PHE 35 7.161 2.463 4.492
254 HB3 PHE 35 HB1 PHE 35 7.785 1.667 3.051
255 HD1 PHE 35 HD2 PHE 35 6.329 -0.352 2.205
256 HD2 PHE 35 HD1 PHE 35 4.907 2.766 4.708
257 HE1 PHE 35 HE2 PHE 35 4.021 -0.859 1.529
258 HE2 PHE 35 HE1 PHE 35 2.601 2.265 4.044
259 HZ PHE 35 HZ PHE 35 2.188 0.487 2.311
260 H GLU 36 HN GLU 36 9.317 1.695 6.383
261 HA GLU 36 HA GLU 36 11.730 1.673 4.979
262 HB2 GLU 36 HB2 GLU 36 12.817 2.328 7.067
263 HB3 GLU 36 HB1 GLU 36 11.316 3.208 6.848
264 HG2 GLU 36 HG2 GLU 36 10.208 1.749 8.451
265 HG3 GLU 36 HG1 GLU 36 11.692 0.818 8.641
266 H ASP 37 HN ASP 37 10.239 -0.833 6.882
267 HA ASP 37 HA ASP 37 12.587 -2.371 7.402
268 HB2 ASP 37 HB2 ASP 37 9.651 -3.016 7.489
269 HB3 ASP 37 HB1 ASP 37 10.898 -4.205 7.815
270 H ILE 38 HN ILE 38 10.441 -1.975 4.773
271 HA ILE 38 HA ILE 38 11.557 -4.389 3.569
272 HB ILE 38 HB ILE 38 9.522 -4.534 2.154
273 HG12 ILE 38 HG12 ILE 38 8.513 -2.285 3.929
274 HG13 ILE 38 HG11 ILE 38 8.865 -2.153 2.214
275 HG21 ILE 38 HG21 ILE 38 9.690 -5.833 4.209
276 HG22 ILE 38 HG22 ILE 38 8.021 -5.318 3.943
277 HG23 ILE 38 HG23 ILE 38 9.020 -4.487 5.134
278 HD11 ILE 38 HD11 ILE 38 6.716 -3.863 3.446
279 HD12 ILE 38 HD12 ILE 38 7.063 -3.728 1.721
280 HD13 ILE 38 HD13 ILE 38 6.480 -2.324 2.615
281 H GLY 39 HN GLY 39 12.580 -1.685 3.644
282 HA2 GLY 39 HA2 GLY 39 13.731 -0.230 2.320
283 HA3 GLY 39 HA1 GLY 39 13.802 -1.552 1.169
284 H TYR 40 HN TYR 40 11.004 0.295 2.290
285 HA TYR 40 HA TYR 40 10.389 0.911 -0.494
286 HB2 TYR 40 HB2 TYR 40 8.889 0.345 1.854
287 HB3 TYR 40 HB1 TYR 40 8.486 1.959 1.294
288 HD1 TYR 40 HD2 TYR 40 7.448 2.280 -0.872
289 HD2 TYR 40 HD1 TYR 40 8.287 -1.601 0.623
290 HE1 TYR 40 HE2 TYR 40 5.985 1.314 -2.577
291 HE2 TYR 40 HE1 TYR 40 6.828 -2.578 -1.089
292 HH TYR 40 HH TYR 40 4.897 -1.836 -2.531
293 H ASP 41 HN ASP 41 10.397 2.955 -1.220
294 HA ASP 41 HA ASP 41 11.013 5.064 0.710
295 HB2 ASP 41 HB2 ASP 41 12.026 6.346 -1.093
296 HB3 ASP 41 HB1 ASP 41 12.768 4.756 -1.048
297 H SER 42 HN SER 42 9.907 7.116 0.317
298 HA SER 42 HA SER 42 7.186 6.645 0.035
299 HB2 SER 42 HB2 SER 42 7.132 9.232 0.091
300 HB3 SER 42 HB1 SER 42 7.699 8.336 1.504
301 H LEU 43 HN LEU 43 9.485 7.715 -2.376
302 HA LEU 43 HA LEU 43 7.516 8.735 -4.170
303 HB2 LEU 43 HB2 LEU 43 10.014 9.240 -4.271
304 HB3 LEU 43 HB1 LEU 43 10.258 7.625 -4.872
305 HG LEU 43 HG LEU 43 8.644 9.727 -6.351
306 HD11 LEU 43 HD11 LEU 43 10.619 10.014 -7.763
307 HD12 LEU 43 HD12 LEU 43 11.526 8.931 -6.708
308 HD13 LEU 43 HD13 LEU 43 10.936 10.474 -6.090
309 HD21 LEU 43 HD21 LEU 43 9.009 8.286 -8.310
310 HD22 LEU 43 HD22 LEU 43 8.150 7.419 -7.040
311 HD23 LEU 43 HD23 LEU 43 9.870 7.124 -7.300
312 H ALA 44 HN ALA 44 9.237 5.642 -3.914
313 HA ALA 44 HA ALA 44 7.881 4.263 -5.953
314 HB1 ALA 44 HB1 ALA 44 8.926 3.068 -3.368
315 HB2 ALA 44 HB2 ALA 44 9.895 3.355 -4.806
316 HB3 ALA 44 HB3 ALA 44 8.595 2.178 -4.851
317 H LEU 45 HN LEU 45 7.134 4.726 -2.595
318 HA LEU 45 HA LEU 45 4.952 3.031 -2.305
319 HB2 LEU 45 HB2 LEU 45 6.204 3.946 -0.471
320 HB3 LEU 45 HB1 LEU 45 5.689 5.565 -0.883
321 HG LEU 45 HG LEU 45 3.423 5.060 -0.188
322 HD11 LEU 45 HD11 LEU 45 2.874 2.899 0.806
323 HD12 LEU 45 HD12 LEU 45 4.490 2.305 0.427
324 HD13 LEU 45 HD13 LEU 45 3.369 2.707 -0.875
325 HD21 LEU 45 HD21 LEU 45 3.865 4.701 2.191
326 HD22 LEU 45 HD22 LEU 45 5.020 5.826 1.474
327 HD23 LEU 45 HD23 LEU 45 5.497 4.159 1.802
328 H MET 46 HN MET 46 5.015 6.445 -3.306
329 HA MET 46 HA MET 46 2.189 6.773 -3.334
330 HB2 MET 46 HB2 MET 46 4.318 8.245 -4.887
331 HB3 MET 46 HB1 MET 46 2.635 8.742 -4.781
332 HG2 MET 46 HG2 MET 46 2.853 8.927 -2.400
333 HG3 MET 46 HG1 MET 46 4.555 8.497 -2.498
334 HE1 MET 46 HE1 MET 46 4.806 12.277 -1.634
335 HE2 MET 46 HE2 MET 46 5.324 10.641 -1.226
336 HE3 MET 46 HE3 MET 46 3.635 11.108 -1.025
337 H GLU 47 HN GLU 47 4.495 5.603 -5.563
338 HA GLU 47 HA GLU 47 2.835 5.563 -7.864
339 HB2 GLU 47 HB2 GLU 47 5.351 5.686 -7.558
340 HB3 GLU 47 HB1 GLU 47 5.327 3.963 -7.278
341 HG2 GLU 47 HG2 GLU 47 4.411 5.292 -9.835
342 HG3 GLU 47 HG1 GLU 47 6.001 4.590 -9.585
343 H THR 48 HN THR 48 3.771 3.229 -5.329
344 HA THR 48 HA THR 48 2.447 0.932 -6.148
345 HB THR 48 HB THR 48 2.660 2.020 -3.332
346 HG1 THR 48 HG1 THR 48 4.532 0.390 -4.676
347 HG21 THR 48 HG21 THR 48 1.287 -0.004 -3.552
348 HG22 THR 48 HG22 THR 48 2.794 -0.357 -2.704
349 HG23 THR 48 HG23 THR 48 2.606 -0.813 -4.397
350 H ALA 49 HN ALA 49 1.380 3.441 -3.885
351 HA ALA 49 HA ALA 49 -1.197 2.595 -3.408
352 HB1 ALA 49 HB1 ALA 49 -1.643 4.846 -2.602
353 HB2 ALA 49 HB2 ALA 49 -0.200 5.441 -3.427
354 HB3 ALA 49 HB3 ALA 49 -0.045 4.306 -2.087
355 H ALA 50 HN ALA 50 -0.055 4.852 -5.889
356 HA ALA 50 HA ALA 50 -2.435 5.726 -6.942
357 HB1 ALA 50 HB1 ALA 50 0.074 5.144 -8.499
358 HB2 ALA 50 HB2 ALA 50 -0.229 6.604 -7.558
359 HB3 ALA 50 HB3 ALA 50 -1.224 6.242 -8.969
360 H ARG 51 HN ARG 51 -0.803 2.669 -7.668
361 HA ARG 51 HA ARG 51 -2.525 2.080 -9.864
362 HB2 ARG 51 HB2 ARG 51 -0.230 1.052 -9.583
363 HB3 ARG 51 HB1 ARG 51 -0.909 0.046 -8.304
364 HG2 ARG 51 HG2 ARG 51 -2.466 -0.956 -9.886
365 HG3 ARG 51 HG1 ARG 51 -1.865 0.092 -11.162
366 HD2 ARG 51 HD2 ARG 51 0.374 -0.979 -10.907
367 HD3 ARG 51 HD1 ARG 51 -0.339 -2.096 -9.739
368 HE ARG 51 HE ARG 51 -1.684 -1.944 -12.284
369 HH11 ARG 51 HH11 ARG 51 0.967 -3.678 -10.565
370 HH12 ARG 51 HH12 ARG 51 0.763 -5.083 -11.456
371 HH21 ARG 51 HH21 ARG 51 -1.877 -3.969 -13.503
372 HH22 ARG 51 HH22 ARG 51 -0.829 -5.269 -13.131
373 H LEU 52 HN LEU 52 -2.383 0.870 -6.526
374 HA LEU 52 HA LEU 52 -4.711 -0.758 -6.635
375 HB2 LEU 52 HB2 LEU 52 -3.486 0.691 -4.289
376 HB3 LEU 52 HB1 LEU 52 -4.778 -0.482 -4.157
377 HG LEU 52 HG LEU 52 -2.010 -1.048 -5.181
378 HD11 LEU 52 HD11 LEU 52 -1.720 -2.281 -3.089
379 HD12 LEU 52 HD12 LEU 52 -3.311 -1.739 -2.554
380 HD13 LEU 52 HD13 LEU 52 -2.017 -0.567 -2.797
381 HD21 LEU 52 HD21 LEU 52 -3.685 -2.505 -6.207
382 HD22 LEU 52 HD22 LEU 52 -4.339 -2.899 -4.625
383 HD23 LEU 52 HD23 LEU 52 -2.707 -3.414 -5.054
384 H GLU 53 HN GLU 53 -4.216 2.604 -5.802
385 HA GLU 53 HA GLU 53 -6.552 3.433 -4.832
386 HB2 GLU 53 HB2 GLU 53 -4.265 4.557 -5.467
387 HB3 GLU 53 HB1 GLU 53 -5.196 5.004 -6.896
388 HG2 GLU 53 HG2 GLU 53 -6.926 5.821 -5.235
389 HG3 GLU 53 HG1 GLU 53 -5.592 5.608 -4.107
390 H SER 54 HN SER 54 -5.527 3.544 -8.197
391 HA SER 54 HA SER 54 -8.051 4.457 -9.162
392 HB2 SER 54 HB2 SER 54 -5.688 3.447 -10.733
393 HB3 SER 54 HB1 SER 54 -6.951 4.555 -11.280
394 HG SER 54 HG SER 54 -4.855 5.006 -9.442
395 H ARG 55 HN ARG 55 -6.510 1.388 -8.777
396 HA ARG 55 HA ARG 55 -7.951 -0.062 -10.743
397 HB2 ARG 55 HB2 ARG 55 -5.752 -0.602 -9.355
398 HB3 ARG 55 HB1 ARG 55 -6.891 -1.354 -8.260
399 HG2 ARG 55 HG2 ARG 55 -6.570 -2.080 -11.170
400 HG3 ARG 55 HG1 ARG 55 -5.790 -2.917 -9.837
401 HD2 ARG 55 HD2 ARG 55 -8.053 -3.472 -8.955
402 HD3 ARG 55 HD1 ARG 55 -8.747 -2.728 -10.400
403 HE ARG 55 HE ARG 55 -7.008 -4.468 -11.441
404 HH11 ARG 55 HH11 ARG 55 -9.721 -4.876 -9.169
405 HH12 ARG 55 HH12 ARG 55 -9.840 -6.560 -9.404
406 HH21 ARG 55 HH21 ARG 55 -7.264 -6.796 -11.842
407 HH22 ARG 55 HH22 ARG 55 -8.454 -7.649 -10.986
408 H TYR 56 HN TYR 56 -8.445 0.520 -7.279
409 HA TYR 56 HA TYR 56 -10.938 -0.966 -7.506
410 HB2 TYR 56 HB2 TYR 56 -9.224 -0.398 -5.116
411 HB3 TYR 56 HB1 TYR 56 -10.892 -0.936 -4.944
412 HD1 TYR 56 HD2 TYR 56 -7.599 -1.845 -6.339
413 HD2 TYR 56 HD1 TYR 56 -11.472 -3.233 -5.264
414 HE1 TYR 56 HE2 TYR 56 -6.839 -4.156 -6.635
415 HE2 TYR 56 HE1 TYR 56 -10.726 -5.563 -5.551
416 HH TYR 56 HH TYR 56 -8.865 -6.768 -6.890
417 H GLY 57 HN GLY 57 -9.852 2.273 -6.968
418 HA2 GLY 57 HA2 GLY 57 -11.435 3.982 -7.512
419 HA3 GLY 57 HA1 GLY 57 -12.698 2.975 -6.832
420 H VAL 58 HN VAL 58 -9.596 4.183 -5.684
421 HA VAL 58 HA VAL 58 -11.027 5.552 -3.560
422 HB VAL 58 HB VAL 58 -9.352 4.995 -1.858
423 HG11 VAL 58 HG11 VAL 58 -9.790 2.628 -1.543
424 HG12 VAL 58 HG12 VAL 58 -10.344 2.525 -3.214
425 HG13 VAL 58 HG13 VAL 58 -11.245 3.503 -2.046
426 HG21 VAL 58 HG21 VAL 58 -8.111 3.197 -3.900
427 HG22 VAL 58 HG22 VAL 58 -7.607 3.367 -2.214
428 HG23 VAL 58 HG23 VAL 58 -7.419 4.722 -3.335
429 H SER 59 HN SER 59 -9.326 7.076 -2.403
430 HA SER 59 HA SER 59 -7.453 8.101 -4.365
431 HB2 SER 59 HB2 SER 59 -8.266 10.447 -3.762
432 HB3 SER 59 HB1 SER 59 -9.351 9.492 -4.767
433 HG SER 59 HG SER 59 -10.129 8.920 -2.354
434 H ILE 60 HN ILE 60 -5.479 8.201 -3.398
435 HA ILE 60 HA ILE 60 -5.422 8.641 -0.500
436 HB ILE 60 HB ILE 60 -3.341 7.253 -2.233
437 HG12 ILE 60 HG12 ILE 60 -5.335 5.840 -2.086
438 HG13 ILE 60 HG11 ILE 60 -4.031 5.141 -1.142
439 HG21 ILE 60 HG21 ILE 60 -2.337 8.315 -0.293
440 HG22 ILE 60 HG22 ILE 60 -2.292 6.567 -0.100
441 HG23 ILE 60 HG23 ILE 60 -3.490 7.515 0.771
442 HD11 ILE 60 HD11 ILE 60 -6.380 6.688 -0.054
443 HD12 ILE 60 HD12 ILE 60 -5.076 5.988 0.907
444 HD13 ILE 60 HD13 ILE 60 -6.166 4.937 0.001
445 HA PRO 61 HA PRO 61 -3.668 12.573 -1.937
446 HB2 PRO 61 HB2 PRO 61 -3.276 12.862 0.991
447 HB3 PRO 61 HB1 PRO 61 -4.073 13.961 -0.142
448 HG2 PRO 61 HG2 PRO 61 -5.489 12.513 1.582
449 HG3 PRO 61 HG1 PRO 61 -6.072 12.792 -0.069
450 HD2 PRO 61 HD2 PRO 61 -4.809 10.357 1.114
451 HD3 PRO 61 HD1 PRO 61 -6.146 10.484 -0.048
452 H ASP 62 HN ASP 62 -1.590 13.172 -2.225
453 HA ASP 62 HA ASP 62 0.447 11.296 -1.853
454 HB2 ASP 62 HB2 ASP 62 2.018 12.918 -2.738
455 HB3 ASP 62 HB1 ASP 62 0.519 12.988 -3.647
456 H ASP 63 HN ASP 63 -0.431 14.029 0.157
457 HA ASP 63 HA ASP 63 1.815 13.943 1.896
458 HB2 ASP 63 HB2 ASP 63 -1.019 14.874 2.333
459 HB3 ASP 63 HB1 ASP 63 0.173 14.902 3.624
460 H VAL 64 HN VAL 64 -1.288 12.378 1.972
461 HA VAL 64 HA VAL 64 -0.874 11.009 4.424
462 HB VAL 64 HB VAL 64 -2.781 10.373 2.158
463 HG11 VAL 64 HG11 VAL 64 -2.489 8.476 3.679
464 HG12 VAL 64 HG12 VAL 64 -4.092 9.183 3.875
465 HG13 VAL 64 HG13 VAL 64 -2.827 9.519 5.059
466 HG21 VAL 64 HG21 VAL 64 -3.112 12.622 3.022
467 HG22 VAL 64 HG22 VAL 64 -3.201 11.993 4.669
468 HG23 VAL 64 HG23 VAL 64 -4.453 11.577 3.497
469 H ALA 65 HN ALA 65 -0.447 10.164 1.021
470 HA ALA 65 HA ALA 65 0.342 7.487 1.369
471 HB1 ALA 65 HB1 ALA 65 -0.298 8.418 -0.815
472 HB2 ALA 65 HB2 ALA 65 1.298 7.660 -0.877
473 HB3 ALA 65 HB3 ALA 65 1.160 9.413 -0.809
474 H GLY 66 HN GLY 66 2.087 10.488 1.671
475 HA2 GLY 66 HA2 GLY 66 4.646 9.199 1.864
476 HA3 GLY 66 HA1 GLY 66 4.297 10.890 2.205
477 H ARG 67 HN ARG 67 2.045 9.931 3.986
478 HA ARG 67 HA ARG 67 3.752 9.644 6.334
479 HB2 ARG 67 HB2 ARG 67 2.173 11.601 6.154
480 HB3 ARG 67 HB1 ARG 67 0.838 10.469 6.267
481 HG2 ARG 67 HG2 ARG 67 1.305 11.575 8.412
482 HG3 ARG 67 HG1 ARG 67 1.536 9.827 8.512
483 HD2 ARG 67 HD2 ARG 67 3.947 10.128 8.243
484 HD3 ARG 67 HD1 ARG 67 3.720 11.866 8.107
485 HE ARG 67 HE ARG 67 2.665 11.507 10.457
486 HH11 ARG 67 HH11 ARG 67 5.479 9.736 9.226
487 HH12 ARG 67 HH12 ARG 67 6.353 9.763 10.680
488 HH21 ARG 67 HH21 ARG 67 3.875 11.587 12.525
489 HH22 ARG 67 HH22 ARG 67 5.411 10.849 12.611
490 H VAL 68 HN VAL 68 2.186 7.554 4.404
491 HA VAL 68 HA VAL 68 1.167 5.952 6.561
492 HB VAL 68 HB VAL 68 0.769 4.128 4.825
493 HG11 VAL 68 HG11 VAL 68 -0.987 5.629 5.493
494 HG12 VAL 68 HG12 VAL 68 -1.117 5.262 3.772
495 HG13 VAL 68 HG13 VAL 68 -0.461 6.812 4.298
496 HG21 VAL 68 HG21 VAL 68 0.789 4.784 2.447
497 HG22 VAL 68 HG22 VAL 68 2.414 4.753 3.134
498 HG23 VAL 68 HG23 VAL 68 1.586 6.293 2.879
499 H ASP 69 HN ASP 69 2.789 5.781 7.841
500 HA ASP 69 HA ASP 69 5.399 4.997 7.323
501 HB2 ASP 69 HB2 ASP 69 3.735 4.707 9.813
502 HB3 ASP 69 HB1 ASP 69 5.438 4.278 9.756
503 H THR 70 HN THR 70 2.629 2.947 8.091
504 HA THR 70 HA THR 70 4.311 0.606 7.540
505 HB THR 70 HB THR 70 2.695 -0.655 8.932
506 HG1 THR 70 HG1 THR 70 1.391 1.091 10.302
507 HG21 THR 70 HG21 THR 70 3.845 1.761 10.352
508 HG22 THR 70 HG22 THR 70 4.709 0.262 10.016
509 HG23 THR 70 HG23 THR 70 3.338 0.261 11.126
510 HA PRO 71 HA PRO 71 1.494 -0.357 4.156
511 HB2 PRO 71 HB2 PRO 71 1.554 -3.149 5.190
512 HB3 PRO 71 HB1 PRO 71 1.923 -2.549 3.566
513 HG2 PRO 71 HG2 PRO 71 3.887 -3.315 5.163
514 HG3 PRO 71 HG1 PRO 71 4.061 -1.847 4.176
515 HD2 PRO 71 HD2 PRO 71 3.420 -2.106 7.089
516 HD3 PRO 71 HD1 PRO 71 4.530 -0.980 6.272
517 H ARG 72 HN ARG 72 0.885 -1.206 7.434
518 HA ARG 72 HA ARG 72 -1.735 -2.179 7.208
519 HB2 ARG 72 HB2 ARG 72 -0.295 -2.402 9.256
520 HB3 ARG 72 HB1 ARG 72 -0.557 -0.689 9.577
521 HG2 ARG 72 HG2 ARG 72 -2.908 -1.088 9.886
522 HG3 ARG 72 HG1 ARG 72 -2.713 -2.775 9.408
523 HD2 ARG 72 HD2 ARG 72 -1.152 -3.044 11.354
524 HD3 ARG 72 HD1 ARG 72 -1.617 -1.422 11.871
525 HE ARG 72 HE ARG 72 -3.939 -2.771 11.442
526 HH11 ARG 72 HH11 ARG 72 -1.270 -2.934 13.801
527 HH12 ARG 72 HH12 ARG 72 -2.114 -3.945 14.882
528 HH21 ARG 72 HH21 ARG 72 -5.071 -4.138 12.966
529 HH22 ARG 72 HH22 ARG 72 -4.321 -4.625 14.420
530 H GLU 73 HN GLU 73 -0.356 1.037 7.657
531 HA GLU 73 HA GLU 73 -2.686 2.541 7.997
532 HB2 GLU 73 HB2 GLU 73 -0.072 3.311 6.691
533 HB3 GLU 73 HB1 GLU 73 -1.318 4.445 7.181
534 HG2 GLU 73 HG2 GLU 73 0.154 2.605 9.048
535 HG3 GLU 73 HG1 GLU 73 0.576 4.291 8.750
536 H LEU 74 HN LEU 74 -0.923 1.660 5.063
537 HA LEU 74 HA LEU 74 -2.470 3.140 3.200
538 HB2 LEU 74 HB2 LEU 74 -0.149 1.850 2.955
539 HB3 LEU 74 HB1 LEU 74 -1.203 0.529 2.489
540 HG LEU 74 HG LEU 74 -1.108 3.167 1.023
541 HD11 LEU 74 HD11 LEU 74 0.249 0.562 0.372
542 HD12 LEU 74 HD12 LEU 74 1.039 2.056 0.873
543 HD13 LEU 74 HD13 LEU 74 0.190 1.982 -0.671
544 HD21 LEU 74 HD21 LEU 74 -3.197 1.915 0.707
545 HD22 LEU 74 HD22 LEU 74 -2.270 0.487 0.245
546 HD23 LEU 74 HD23 LEU 74 -2.231 1.929 -0.769
547 H LEU 75 HN LEU 75 -2.691 -0.230 4.305
548 HA LEU 75 HA LEU 75 -4.914 -0.848 2.674
549 HB2 LEU 75 HB2 LEU 75 -3.455 -2.582 3.536
550 HB3 LEU 75 HB1 LEU 75 -3.901 -2.186 5.180
551 HG LEU 75 HG LEU 75 -6.171 -3.006 4.798
552 HD11 LEU 75 HD11 LEU 75 -5.248 -3.713 2.004
553 HD12 LEU 75 HD12 LEU 75 -6.389 -2.433 2.429
554 HD13 LEU 75 HD13 LEU 75 -6.812 -4.106 2.726
555 HD21 LEU 75 HD21 LEU 75 -4.478 -4.581 5.563
556 HD22 LEU 75 HD22 LEU 75 -4.055 -4.953 3.894
557 HD23 LEU 75 HD23 LEU 75 -5.648 -5.380 4.513
558 H ASP 76 HN ASP 76 -4.596 0.421 5.921
559 HA ASP 76 HA ASP 76 -7.311 0.149 6.660
560 HB2 ASP 76 HB2 ASP 76 -5.613 0.480 8.351
561 HB3 ASP 76 HB1 ASP 76 -5.175 2.041 7.660
562 H LEU 77 HN LEU 77 -5.494 2.677 5.089
563 HA LEU 77 HA LEU 77 -7.473 4.654 4.889
564 HB2 LEU 77 HB2 LEU 77 -5.301 3.859 2.987
565 HB3 LEU 77 HB1 LEU 77 -6.280 5.283 2.761
566 HG LEU 77 HG LEU 77 -4.365 4.753 5.026
567 HD11 LEU 77 HD11 LEU 77 -3.293 5.194 2.894
568 HD12 LEU 77 HD12 LEU 77 -3.084 6.558 3.990
569 HD13 LEU 77 HD13 LEU 77 -4.271 6.645 2.688
570 HD21 LEU 77 HD21 LEU 77 -6.283 6.091 5.776
571 HD22 LEU 77 HD22 LEU 77 -6.040 7.201 4.429
572 HD23 LEU 77 HD23 LEU 77 -4.817 7.067 5.694
573 H ILE 78 HN ILE 78 -6.584 2.088 2.638
574 HA ILE 78 HA ILE 78 -8.723 2.652 0.900
575 HB ILE 78 HB ILE 78 -6.879 0.261 1.053
576 HG12 ILE 78 HG12 ILE 78 -6.997 2.700 -0.732
577 HG13 ILE 78 HG11 ILE 78 -5.759 2.302 0.446
578 HG21 ILE 78 HG21 ILE 78 -8.972 -0.454 0.014
579 HG22 ILE 78 HG22 ILE 78 -7.680 -0.367 -1.183
580 HG23 ILE 78 HG23 ILE 78 -8.896 0.907 -1.105
581 HD11 ILE 78 HD11 ILE 78 -5.017 1.935 -1.869
582 HD12 ILE 78 HD12 ILE 78 -6.329 0.770 -2.075
583 HD13 ILE 78 HD13 ILE 78 -5.029 0.436 -0.925
584 H ASN 79 HN ASN 79 -8.416 0.550 3.636
585 HA ASN 79 HA ASN 79 -10.742 -0.978 3.363
586 HB2 ASN 79 HB2 ASN 79 -9.102 -0.131 5.681
587 HB3 ASN 79 HB1 ASN 79 -10.750 -0.597 6.052
588 HD21 ASN 79 HD21 ASN 79 -8.839 -2.046 3.481
589 HD22 ASN 79 HD22 ASN 79 -8.710 -3.604 4.226
590 H GLY 80 HN GLY 80 -10.318 2.257 4.660
591 HA2 GLY 80 HA2 GLY 80 -13.116 2.519 5.285
592 HA3 GLY 80 HA1 GLY 80 -11.901 3.787 5.374
593 H ALA 81 HN ALA 81 -10.955 3.557 2.738
594 HA ALA 81 HA ALA 81 -12.738 5.373 1.527
595 HB1 ALA 81 HB1 ALA 81 -10.354 3.965 0.351
596 HB2 ALA 81 HB2 ALA 81 -10.318 5.486 1.246
597 HB3 ALA 81 HB3 ALA 81 -11.150 5.394 -0.306
598 H LEU 82 HN LEU 82 -11.998 1.972 0.956
599 HA LEU 82 HA LEU 82 -13.731 1.810 -1.283
600 HB2 LEU 82 HB2 LEU 82 -12.254 -0.195 0.346
601 HB3 LEU 82 HB1 LEU 82 -13.503 -0.736 -0.745
602 HG LEU 82 HG LEU 82 -10.956 0.749 -1.524
603 HD11 LEU 82 HD11 LEU 82 -11.858 -2.069 -2.048
604 HD12 LEU 82 HD12 LEU 82 -10.610 -1.572 -0.907
605 HD13 LEU 82 HD13 LEU 82 -10.377 -1.311 -2.636
606 HD21 LEU 82 HD21 LEU 82 -12.865 1.398 -2.935
607 HD22 LEU 82 HD22 LEU 82 -13.211 -0.305 -3.236
608 HD23 LEU 82 HD23 LEU 82 -11.704 0.404 -3.818
609 H ALA 83 HN ALA 83 -14.226 1.703 2.098
610 HA ALA 83 HA ALA 83 -16.763 0.357 1.944
611 HB1 ALA 83 HB1 ALA 83 -17.032 1.044 4.293
612 HB2 ALA 83 HB2 ALA 83 -15.602 2.068 4.158
613 HB3 ALA 83 HB3 ALA 83 -15.448 0.315 4.026
614 H GLU 84 HN GLU 84 -15.565 3.635 1.939
615 HA GLU 84 HA GLU 84 -18.115 4.899 1.955
616 HB2 GLU 84 HB2 GLU 84 -15.430 5.913 1.015
617 HB3 GLU 84 HB1 GLU 84 -16.864 6.908 1.219
618 HG2 GLU 84 HG2 GLU 84 -16.881 6.437 3.595
619 HG3 GLU 84 HG1 GLU 84 -15.480 5.381 3.405
620 H ALA 85 HN ALA 85 -16.194 3.389 -0.419
621 HA ALA 85 HA ALA 85 -17.799 4.503 -2.603
622 HB1 ALA 85 HB1 ALA 85 -15.266 2.868 -2.714
623 HB2 ALA 85 HB2 ALA 85 -15.365 4.621 -2.859
624 HB3 ALA 85 HB3 ALA 85 -16.096 3.589 -4.093
625 H ALA 86 HN ALA 86 -18.381 2.203 -0.554
626 HA ALA 86 HA ALA 86 -18.846 0.027 -2.422
627 HB1 ALA 86 HB1 ALA 86 -19.332 0.177 0.558
628 HB2 ALA 86 HB2 ALA 86 -17.917 -0.534 -0.216
629 HB3 ALA 86 HB3 ALA 86 -19.508 -1.263 -0.444
630 H28 SXM 87 H28A SXM 87 8.407 12.761 2.537
631 H28A SXM 87 H28B SXM 87 9.695 13.237 1.425
632 H30 SXM 87 H30A SXM 87 6.150 13.366 2.156
633 H30A SXM 87 H30B SXM 87 6.192 12.435 0.659
634 H30B SXM 87 H30C SXM 87 5.624 14.103 0.644
635 H31 SXM 87 H31C SXM 87 8.946 15.609 1.308
636 H31A SXM 87 H31A SXM 87 7.705 15.242 2.507
637 H31B SXM 87 H31B SXM 87 7.256 15.984 0.971
638 H32 SXM 87 H32A SXM 87 7.488 14.790 -1.155
639 HO33 SXM 87 H33A SXM 87 7.797 12.068 -0.688
640 HN36 SXM 87 H36A SXM 87 9.213 12.556 -2.210
641 H37 SXM 87 H37B SXM 87 11.968 13.092 -1.569
642 H37A SXM 87 H37A SXM 87 11.475 13.789 -3.115
643 H38 SXM 87 H38A SXM 87 11.273 10.876 -2.349
644 H38A SXM 87 H38B SXM 87 10.745 11.576 -3.870
645 HN41 SXM 87 H41A SXM 87 13.382 13.313 -3.308
646 H42 SXM 87 H42A SXM 87 15.701 12.054 -3.401
647 H42A SXM 87 H42B SXM 87 15.095 11.769 -5.037
648 H43 SXM 87 H43A SXM 87 16.622 13.733 -4.849
649 H43A SXM 87 H43B SXM 87 15.454 14.521 -3.771
650 H2 SXM 87 H2A SXM 87 11.151 15.144 -5.642
651 H2A SXM 87 H2B SXM 87 11.990 14.141 -6.818
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 -21.707 -9.429 1.356
2 H2 MET 1 HT2 MET 1 -21.697 -8.261 0.106
3 H3 MET 1 HT3 MET 1 -21.660 -7.780 1.713
4 HA MET 1 HA MET 1 -19.557 -8.611 2.098
5 HB2 MET 1 HB2 MET 1 -19.698 -10.569 0.567
6 HB3 MET 1 HB1 MET 1 -19.585 -9.483 -0.809
7 HG2 MET 1 HG2 MET 1 -17.350 -8.804 -0.107
8 HG3 MET 1 HG1 MET 1 -17.461 -9.867 1.292
9 HE1 MET 1 HE1 MET 1 -17.203 -9.661 -2.631
10 HE2 MET 1 HE2 MET 1 -18.710 -10.547 -2.400
11 HE3 MET 1 HE3 MET 1 -17.305 -11.363 -3.086
12 H ALA 2 HN ALA 2 -18.493 -6.821 2.303
13 HA ALA 2 HA ALA 2 -18.845 -4.612 0.504
14 HB1 ALA 2 HB1 ALA 2 -17.361 -3.427 2.044
15 HB2 ALA 2 HB2 ALA 2 -17.005 -4.941 2.877
16 HB3 ALA 2 HB3 ALA 2 -18.636 -4.271 2.921
17 H THR 3 HN THR 3 -16.839 -3.426 -0.246
18 HA THR 3 HA THR 3 -15.074 -5.336 -1.578
19 HB THR 3 HB THR 3 -15.625 -2.465 -2.090
20 HG1 THR 3 HG1 THR 3 -17.011 -4.721 -2.682
21 HG21 THR 3 HG21 THR 3 -13.468 -3.174 -2.982
22 HG22 THR 3 HG22 THR 3 -14.588 -2.902 -4.316
23 HG23 THR 3 HG23 THR 3 -14.228 -4.545 -3.785
24 H LEU 4 HN LEU 4 -13.305 -5.601 -0.349
25 HA LEU 4 HA LEU 4 -11.823 -3.232 0.484
26 HB2 LEU 4 HB2 LEU 4 -12.330 -5.645 2.236
27 HB3 LEU 4 HB1 LEU 4 -11.128 -4.419 2.577
28 HG LEU 4 HG LEU 4 -14.089 -3.987 2.446
29 HD11 LEU 4 HD11 LEU 4 -13.916 -3.667 4.889
30 HD12 LEU 4 HD12 LEU 4 -12.207 -4.092 4.807
31 HD13 LEU 4 HD13 LEU 4 -13.437 -5.292 4.400
32 HD21 LEU 4 HD21 LEU 4 -13.596 -1.764 3.390
33 HD22 LEU 4 HD22 LEU 4 -12.879 -1.986 1.793
34 HD23 LEU 4 HD23 LEU 4 -11.872 -2.100 3.237
35 H LEU 5 HN LEU 5 -9.526 -3.927 1.040
36 HA LEU 5 HA LEU 5 -8.795 -5.763 -1.074
37 HB2 LEU 5 HB2 LEU 5 -7.086 -3.766 0.414
38 HB3 LEU 5 HB1 LEU 5 -6.508 -4.862 -0.825
39 HG LEU 5 HG LEU 5 -8.404 -2.563 -1.136
40 HD11 LEU 5 HD11 LEU 5 -6.705 -1.751 -2.692
41 HD12 LEU 5 HD12 LEU 5 -5.703 -3.155 -2.322
42 HD13 LEU 5 HD13 LEU 5 -6.063 -1.971 -1.066
43 HD21 LEU 5 HD21 LEU 5 -7.639 -4.649 -3.168
44 HD22 LEU 5 HD22 LEU 5 -8.549 -3.175 -3.501
45 HD23 LEU 5 HD23 LEU 5 -9.237 -4.419 -2.459
46 H THR 6 HN THR 6 -7.549 -7.466 -0.793
47 HA THR 6 HA THR 6 -7.573 -8.571 1.879
48 HB THR 6 HB THR 6 -6.777 -10.652 0.718
49 HG1 THR 6 HG1 THR 6 -7.133 -9.013 -1.614
50 HG21 THR 6 HG21 THR 6 -8.906 -11.111 -0.440
51 HG22 THR 6 HG22 THR 6 -9.276 -9.386 -0.439
52 HG23 THR 6 HG23 THR 6 -9.177 -10.268 1.086
53 H THR 7 HN THR 7 -5.432 -10.112 2.046
54 HA THR 7 HA THR 7 -3.310 -8.291 2.496
55 HB THR 7 HB THR 7 -3.251 -11.326 2.502
56 HG1 THR 7 HG1 THR 7 -4.945 -10.460 3.822
57 HG21 THR 7 HG21 THR 7 -1.473 -11.024 4.183
58 HG22 THR 7 HG22 THR 7 -1.623 -9.272 4.028
59 HG23 THR 7 HG23 THR 7 -1.038 -10.233 2.667
60 H ASP 8 HN ASP 8 -4.097 -10.730 0.090
61 HA ASP 8 HA ASP 8 -1.685 -10.702 -1.380
62 HB2 ASP 8 HB2 ASP 8 -4.481 -11.448 -2.214
63 HB3 ASP 8 HB1 ASP 8 -3.113 -11.534 -3.316
64 H ASP 9 HN ASP 9 -4.570 -8.720 -1.623
65 HA ASP 9 HA ASP 9 -4.032 -7.462 -4.072
66 HB2 ASP 9 HB2 ASP 9 -5.496 -6.373 -1.660
67 HB3 ASP 9 HB1 ASP 9 -5.343 -5.478 -3.161
68 H LEU 10 HN LEU 10 -3.230 -6.365 -0.809
69 HA LEU 10 HA LEU 10 -1.696 -4.189 -1.700
70 HB2 LEU 10 HB2 LEU 10 -1.767 -5.670 0.905
71 HB3 LEU 10 HB1 LEU 10 -0.570 -4.437 0.611
72 HG LEU 10 HG LEU 10 -2.436 -2.809 0.254
73 HD11 LEU 10 HD11 LEU 10 -4.145 -5.044 1.302
74 HD12 LEU 10 HD12 LEU 10 -4.205 -4.347 -0.317
75 HD13 LEU 10 HD13 LEU 10 -4.646 -3.367 1.083
76 HD21 LEU 10 HD21 LEU 10 -2.941 -2.570 2.630
77 HD22 LEU 10 HD22 LEU 10 -1.237 -2.925 2.351
78 HD23 LEU 10 HD23 LEU 10 -2.320 -4.195 2.922
79 H ARG 11 HN ARG 11 -0.829 -7.453 -0.703
80 HA ARG 11 HA ARG 11 1.910 -7.134 -0.752
81 HB2 ARG 11 HB2 ARG 11 0.729 -9.031 0.281
82 HB3 ARG 11 HB1 ARG 11 0.393 -9.671 -1.318
83 HG2 ARG 11 HG2 ARG 11 2.687 -10.126 -1.710
84 HG3 ARG 11 HG1 ARG 11 3.177 -9.211 -0.282
85 HD2 ARG 11 HD2 ARG 11 3.246 -11.643 0.097
86 HD3 ARG 11 HD1 ARG 11 2.111 -10.828 1.166
87 HE ARG 11 HE ARG 11 0.999 -11.891 -1.266
88 HH11 ARG 11 HH11 ARG 11 1.690 -12.561 2.182
89 HH12 ARG 11 HH12 ARG 11 0.523 -13.798 2.312
90 HH21 ARG 11 HH21 ARG 11 -0.715 -13.554 -0.998
91 HH22 ARG 11 HH22 ARG 11 -0.891 -14.324 0.489
92 H ARG 12 HN ARG 12 -0.107 -8.414 -3.503
93 HA ARG 12 HA ARG 12 2.086 -8.815 -5.142
94 HB2 ARG 12 HB2 ARG 12 0.120 -9.933 -5.686
95 HB3 ARG 12 HB1 ARG 12 -0.852 -8.481 -5.585
96 HG2 ARG 12 HG2 ARG 12 -0.611 -9.377 -7.784
97 HG3 ARG 12 HG1 ARG 12 -0.045 -7.714 -7.685
98 HD2 ARG 12 HD2 ARG 12 1.491 -8.948 -9.095
99 HD3 ARG 12 HD1 ARG 12 2.309 -8.584 -7.591
100 HE ARG 12 HE ARG 12 1.608 -11.005 -7.026
101 HH11 ARG 12 HH11 ARG 12 2.233 -9.958 -10.345
102 HH12 ARG 12 HH12 ARG 12 3.256 -11.248 -10.753
103 HH21 ARG 12 HH21 ARG 12 3.012 -12.852 -7.576
104 HH22 ARG 12 HH22 ARG 12 3.617 -12.999 -9.164
105 H ALA 13 HN ALA 13 0.011 -5.931 -4.828
106 HA ALA 13 HA ALA 13 1.353 -4.568 -6.941
107 HB1 ALA 13 HB1 ALA 13 -0.923 -3.967 -6.259
108 HB2 ALA 13 HB2 ALA 13 0.165 -2.581 -6.180
109 HB3 ALA 13 HB3 ALA 13 -0.306 -3.418 -4.701
110 H LEU 14 HN LEU 14 1.817 -4.882 -3.530
111 HA LEU 14 HA LEU 14 3.603 -2.810 -2.970
112 HB2 LEU 14 HB2 LEU 14 2.347 -4.506 -1.461
113 HB3 LEU 14 HB1 LEU 14 3.686 -5.575 -1.785
114 HG LEU 14 HG LEU 14 5.194 -3.889 -0.720
115 HD11 LEU 14 HD11 LEU 14 4.145 -2.165 0.649
116 HD12 LEU 14 HD12 LEU 14 2.564 -2.613 -0.012
117 HD13 LEU 14 HD13 LEU 14 3.799 -1.932 -1.067
118 HD21 LEU 14 HD21 LEU 14 4.481 -4.415 1.549
119 HD22 LEU 14 HD22 LEU 14 4.356 -5.822 0.492
120 HD23 LEU 14 HD23 LEU 14 2.906 -4.927 0.944
121 H VAL 15 HN VAL 15 4.135 -6.205 -3.816
122 HA VAL 15 HA VAL 15 6.898 -6.366 -3.910
123 HB VAL 15 HB VAL 15 4.939 -7.814 -5.730
124 HG11 VAL 15 HG11 VAL 15 6.641 -9.563 -5.844
125 HG12 VAL 15 HG12 VAL 15 7.731 -8.564 -4.879
126 HG13 VAL 15 HG13 VAL 15 7.242 -8.036 -6.489
127 HG21 VAL 15 HG21 VAL 15 4.379 -8.107 -3.396
128 HG22 VAL 15 HG22 VAL 15 6.039 -8.596 -3.052
129 HG23 VAL 15 HG23 VAL 15 5.019 -9.598 -4.083
130 H GLU 16 HN GLU 16 4.732 -5.814 -6.670
131 HA GLU 16 HA GLU 16 6.783 -5.462 -8.559
132 HB2 GLU 16 HB2 GLU 16 3.923 -4.550 -8.667
133 HB3 GLU 16 HB1 GLU 16 5.029 -4.533 -10.031
134 HG2 GLU 16 HG2 GLU 16 5.270 -7.002 -9.760
135 HG3 GLU 16 HG1 GLU 16 3.989 -6.931 -8.547
136 H SER 17 HN SER 17 5.460 -3.191 -6.314
137 HA SER 17 HA SER 17 6.499 -0.969 -7.900
138 HB2 SER 17 HB2 SER 17 4.721 -0.822 -5.483
139 HB3 SER 17 HB1 SER 17 5.020 0.431 -6.693
140 HG SER 17 HG SER 17 3.487 -1.868 -6.793
141 H ALA 18 HN ALA 18 7.536 -2.959 -5.513
142 HA ALA 18 HA ALA 18 8.568 -1.381 -3.466
143 HB1 ALA 18 HB1 ALA 18 8.481 -3.828 -3.399
144 HB2 ALA 18 HB2 ALA 18 10.099 -3.226 -3.028
145 HB3 ALA 18 HB3 ALA 18 9.754 -3.905 -4.617
146 H GLY 19 HN GLY 19 10.174 -2.463 -6.406
147 HA2 GLY 19 HA2 GLY 19 11.612 -0.004 -6.662
148 HA3 GLY 19 HA1 GLY 19 12.642 -1.339 -6.147
149 H GLU 20 HN GLU 20 12.269 -3.370 -7.410
150 HA GLU 20 HA GLU 20 12.262 -2.696 -10.271
151 HB2 GLU 20 HB2 GLU 20 13.318 -4.863 -10.614
152 HB3 GLU 20 HB1 GLU 20 14.195 -3.975 -9.380
153 HG2 GLU 20 HG2 GLU 20 13.197 -5.291 -7.639
154 HG3 GLU 20 HG1 GLU 20 12.140 -6.092 -8.800
155 H THR 21 HN THR 21 11.319 -4.564 -11.657
156 HA THR 21 HA THR 21 8.593 -4.992 -11.131
157 HB THR 21 HB THR 21 10.467 -6.539 -12.951
158 HG1 THR 21 HG1 THR 21 9.156 -4.041 -13.176
159 HG21 THR 21 HG21 THR 21 8.451 -6.922 -14.295
160 HG22 THR 21 HG22 THR 21 7.490 -6.034 -13.114
161 HG23 THR 21 HG23 THR 21 8.244 -7.565 -12.667
162 H ASP 22 HN ASP 22 8.237 -5.983 -9.243
163 HA ASP 22 HA ASP 22 7.877 -7.598 -7.721
164 HB2 ASP 22 HB2 ASP 22 9.412 -9.511 -9.535
165 HB3 ASP 22 HB1 ASP 22 8.587 -9.966 -8.053
166 H GLY 23 HN GLY 23 9.168 -6.147 -6.583
167 HA2 GLY 23 HA2 GLY 23 11.985 -6.712 -6.307
168 HA3 GLY 23 HA1 GLY 23 11.064 -5.433 -5.519
169 H THR 24 HN THR 24 10.331 -5.735 -3.506
170 HA THR 24 HA THR 24 11.236 -7.992 -1.982
171 HB THR 24 HB THR 24 9.447 -5.719 -1.091
172 HG1 THR 24 HG1 THR 24 12.266 -5.731 -1.570
173 HG21 THR 24 HG21 THR 24 11.718 -7.226 0.234
174 HG22 THR 24 HG22 THR 24 10.002 -7.501 0.530
175 HG23 THR 24 HG23 THR 24 10.741 -5.968 0.992
176 H ASP 25 HN ASP 25 9.968 -9.791 -1.862
177 HA ASP 25 HA ASP 25 7.324 -9.903 -2.934
178 HB2 ASP 25 HB2 ASP 25 8.747 -11.833 -3.108
179 HB3 ASP 25 HB1 ASP 25 8.889 -11.943 -1.358
180 H LEU 26 HN LEU 26 8.546 -9.639 0.319
181 HA LEU 26 HA LEU 26 7.635 -9.504 2.332
182 HB2 LEU 26 HB2 LEU 26 5.313 -8.303 0.812
183 HB3 LEU 26 HB1 LEU 26 5.261 -8.503 2.544
184 HG LEU 26 HG LEU 26 5.797 -6.270 2.157
185 HD11 LEU 26 HD11 LEU 26 8.021 -5.968 3.098
186 HD12 LEU 26 HD12 LEU 26 8.352 -7.680 2.822
187 HD13 LEU 26 HD13 LEU 26 7.073 -7.199 3.934
188 HD21 LEU 26 HD21 LEU 26 7.647 -5.490 0.750
189 HD22 LEU 26 HD22 LEU 26 6.439 -6.377 -0.176
190 HD23 LEU 26 HD23 LEU 26 7.960 -7.155 0.257
191 H SER 27 HN SER 27 7.834 -11.810 2.031
192 HA SER 27 HA SER 27 5.517 -13.389 1.689
193 HB2 SER 27 HB2 SER 27 8.118 -14.122 3.037
194 HB3 SER 27 HB1 SER 27 6.935 -15.235 2.351
195 HG SER 27 HG SER 27 7.416 -13.797 0.325
196 H GLY 28 HN GLY 28 3.975 -13.800 3.092
197 HA2 GLY 28 HA2 GLY 28 3.176 -14.527 5.181
198 HA3 GLY 28 HA1 GLY 28 4.564 -13.764 5.945
199 H ASP 29 HN ASP 29 3.623 -12.485 7.337
200 HA ASP 29 HA ASP 29 1.552 -10.637 6.413
201 HB2 ASP 29 HB2 ASP 29 2.505 -11.213 9.234
202 HB3 ASP 29 HB1 ASP 29 1.204 -10.115 8.804
203 H PHE 30 HN PHE 30 2.016 -8.594 6.126
204 HA PHE 30 HA PHE 30 4.712 -7.685 6.871
205 HB2 PHE 30 HB2 PHE 30 4.681 -6.407 4.706
206 HB3 PHE 30 HB1 PHE 30 4.743 -8.159 4.544
207 HD1 PHE 30 HD1 PHE 30 2.638 -5.175 4.133
208 HD2 PHE 30 HD2 PHE 30 2.905 -9.388 3.589
209 HE1 PHE 30 HE1 PHE 30 0.632 -5.117 2.721
210 HE2 PHE 30 HE2 PHE 30 0.899 -9.331 2.184
211 HZ PHE 30 HZ PHE 30 -0.240 -7.196 1.745
212 H LEU 31 HN LEU 31 1.847 -7.187 7.947
213 HA LEU 31 HA LEU 31 1.195 -4.522 7.146
214 HB2 LEU 31 HB2 LEU 31 0.049 -6.240 9.345
215 HB3 LEU 31 HB1 LEU 31 -0.540 -4.642 8.961
216 HG LEU 31 HG LEU 31 -2.041 -6.187 8.015
217 HD11 LEU 31 HD11 LEU 31 -0.295 -5.118 5.821
218 HD12 LEU 31 HD12 LEU 31 -1.643 -4.297 6.610
219 HD13 LEU 31 HD13 LEU 31 -1.937 -5.725 5.616
220 HD21 LEU 31 HD21 LEU 31 -1.405 -7.945 6.415
221 HD22 LEU 31 HD22 LEU 31 -0.676 -8.186 8.006
222 HD23 LEU 31 HD23 LEU 31 0.295 -7.547 6.679
223 H ASP 32 HN ASP 32 3.037 -5.880 9.700
224 HA ASP 32 HA ASP 32 3.121 -3.318 11.142
225 HB2 ASP 32 HB2 ASP 32 4.171 -6.054 11.916
226 HB3 ASP 32 HB1 ASP 32 4.343 -4.609 12.904
227 H LEU 33 HN LEU 33 4.590 -4.266 8.559
228 HA LEU 33 HA LEU 33 7.325 -3.704 9.379
229 HB2 LEU 33 HB2 LEU 33 6.114 -4.773 6.844
230 HB3 LEU 33 HB1 LEU 33 7.718 -4.079 6.827
231 HG LEU 33 HG LEU 33 7.808 -6.509 6.926
232 HD11 LEU 33 HD11 LEU 33 9.608 -5.267 7.943
233 HD12 LEU 33 HD12 LEU 33 9.303 -6.756 8.837
234 HD13 LEU 33 HD13 LEU 33 8.736 -5.213 9.473
235 HD21 LEU 33 HD21 LEU 33 5.699 -6.917 8.133
236 HD22 LEU 33 HD22 LEU 33 6.431 -6.278 9.602
237 HD23 LEU 33 HD23 LEU 33 7.059 -7.757 8.875
238 H ARG 34 HN ARG 34 8.209 -1.818 9.111
239 HA ARG 34 HA ARG 34 6.629 0.370 8.150
240 HB2 ARG 34 HB2 ARG 34 9.537 0.283 8.968
241 HB3 ARG 34 HB1 ARG 34 8.601 1.744 8.695
242 HG2 ARG 34 HG2 ARG 34 7.132 1.156 10.550
243 HG3 ARG 34 HG1 ARG 34 8.065 -0.320 10.817
244 HD2 ARG 34 HD2 ARG 34 10.050 1.024 11.281
245 HD3 ARG 34 HD1 ARG 34 9.119 2.495 11.009
246 HE ARG 34 HE ARG 34 7.850 0.914 12.929
247 HH11 ARG 34 HH11 ARG 34 10.853 2.798 12.626
248 HH12 ARG 34 HH12 ARG 34 10.826 3.399 14.222
249 HH21 ARG 34 HH21 ARG 34 7.853 1.686 15.184
250 HH22 ARG 34 HH22 ARG 34 9.126 2.689 15.733
251 H PHE 35 HN PHE 35 6.768 1.418 6.252
252 HA PHE 35 HA PHE 35 7.793 0.115 4.016
253 HB2 PHE 35 HB2 PHE 35 6.842 2.961 4.361
254 HB3 PHE 35 HB1 PHE 35 7.371 2.389 2.792
255 HD1 PHE 35 HD2 PHE 35 6.214 -0.189 2.365
256 HD2 PHE 35 HD1 PHE 35 4.599 3.112 4.538
257 HE1 PHE 35 HE2 PHE 35 3.975 -1.038 1.990
258 HE2 PHE 35 HE1 PHE 35 2.342 2.235 4.158
259 HZ PHE 35 HZ PHE 35 2.060 0.142 2.742
260 H GLU 36 HN GLU 36 9.206 2.791 5.849
261 HA GLU 36 HA GLU 36 11.452 3.145 4.178
262 HB2 GLU 36 HB2 GLU 36 12.503 4.293 6.057
263 HB3 GLU 36 HB1 GLU 36 10.823 4.782 5.899
264 HG2 GLU 36 HG2 GLU 36 10.213 3.315 7.753
265 HG3 GLU 36 HG1 GLU 36 11.888 2.786 7.892
266 H ASP 37 HN ASP 37 10.710 0.749 6.511
267 HA ASP 37 HA ASP 37 13.409 -0.114 7.012
268 HB2 ASP 37 HB2 ASP 37 11.714 -0.321 8.750
269 HB3 ASP 37 HB1 ASP 37 10.735 -1.341 7.706
270 H ILE 38 HN ILE 38 10.687 -1.123 5.048
271 HA ILE 38 HA ILE 38 12.181 -3.408 4.102
272 HB ILE 38 HB ILE 38 10.131 -3.995 2.797
273 HG12 ILE 38 HG12 ILE 38 8.943 -1.622 4.277
274 HG13 ILE 38 HG11 ILE 38 9.192 -1.734 2.545
275 HG21 ILE 38 HG21 ILE 38 9.805 -3.575 5.758
276 HG22 ILE 38 HG22 ILE 38 10.573 -4.951 4.968
277 HG23 ILE 38 HG23 ILE 38 8.839 -4.678 4.773
278 HD11 ILE 38 HD11 ILE 38 7.555 -3.546 2.418
279 HD12 ILE 38 HD12 ILE 38 6.858 -2.093 3.140
280 HD13 ILE 38 HD13 ILE 38 7.316 -3.452 4.163
281 H GLY 39 HN GLY 39 13.027 -0.734 3.434
282 HA2 GLY 39 HA2 GLY 39 14.326 0.037 1.684
283 HA3 GLY 39 HA1 GLY 39 13.817 -1.362 0.759
284 H TYR 40 HN TYR 40 11.315 0.664 2.041
285 HA TYR 40 HA TYR 40 10.811 1.657 -0.669
286 HB2 TYR 40 HB2 TYR 40 9.015 1.457 1.754
287 HB3 TYR 40 HB1 TYR 40 8.576 2.371 0.327
288 HD1 TYR 40 HD1 TYR 40 10.143 -0.981 0.700
289 HD2 TYR 40 HD2 TYR 40 6.800 1.262 -0.647
290 HE1 TYR 40 HE1 TYR 40 9.175 -3.017 -0.231
291 HE2 TYR 40 HE2 TYR 40 5.818 -0.771 -1.605
292 HH TYR 40 HH TYR 40 6.605 -3.035 -2.383
293 H ASP 41 HN ASP 41 10.434 3.781 -1.040
294 HA ASP 41 HA ASP 41 10.942 5.684 1.117
295 HB2 ASP 41 HB2 ASP 41 12.106 7.092 -0.430
296 HB3 ASP 41 HB1 ASP 41 12.745 5.488 -0.779
297 H SER 42 HN SER 42 9.890 7.924 -0.196
298 HA SER 42 HA SER 42 7.171 7.246 -0.205
299 HB2 SER 42 HB2 SER 42 6.910 9.640 -1.025
300 HB3 SER 42 HB1 SER 42 7.648 9.419 0.561
301 H LEU 43 HN LEU 43 9.521 7.729 -2.815
302 HA LEU 43 HA LEU 43 7.679 7.941 -4.932
303 HB2 LEU 43 HB2 LEU 43 10.113 8.479 -5.079
304 HB3 LEU 43 HB1 LEU 43 10.483 6.779 -4.966
305 HG LEU 43 HG LEU 43 8.952 7.988 -7.292
306 HD11 LEU 43 HD11 LEU 43 11.074 7.950 -8.501
307 HD12 LEU 43 HD12 LEU 43 11.903 7.456 -7.024
308 HD13 LEU 43 HD13 LEU 43 11.134 9.038 -7.115
309 HD21 LEU 43 HD21 LEU 43 9.684 5.958 -8.491
310 HD22 LEU 43 HD22 LEU 43 8.721 5.533 -7.086
311 HD23 LEU 43 HD23 LEU 43 10.476 5.374 -7.028
312 H ALA 44 HN ALA 44 9.381 5.106 -3.629
313 HA ALA 44 HA ALA 44 8.113 3.235 -5.301
314 HB1 ALA 44 HB1 ALA 44 8.905 1.522 -3.780
315 HB2 ALA 44 HB2 ALA 44 9.193 2.728 -2.523
316 HB3 ALA 44 HB3 ALA 44 10.158 2.739 -4.001
317 H LEU 45 HN LEU 45 7.206 4.533 -2.141
318 HA LEU 45 HA LEU 45 5.030 2.759 -1.873
319 HB2 LEU 45 HB2 LEU 45 6.027 3.798 0.106
320 HB3 LEU 45 HB1 LEU 45 5.522 5.378 -0.441
321 HG LEU 45 HG LEU 45 4.128 4.353 1.455
322 HD11 LEU 45 HD11 LEU 45 2.029 5.093 0.664
323 HD12 LEU 45 HD12 LEU 45 2.665 5.169 -0.990
324 HD13 LEU 45 HD13 LEU 45 3.334 6.214 0.273
325 HD21 LEU 45 HD21 LEU 45 4.049 2.068 0.608
326 HD22 LEU 45 HD22 LEU 45 3.120 2.619 -0.786
327 HD23 LEU 45 HD23 LEU 45 2.432 2.732 0.836
328 H MET 46 HN MET 46 5.253 6.074 -3.083
329 HA MET 46 HA MET 46 2.539 6.619 -3.464
330 HB2 MET 46 HB2 MET 46 4.859 7.389 -5.240
331 HB3 MET 46 HB1 MET 46 3.244 8.071 -5.353
332 HG2 MET 46 HG2 MET 46 4.905 8.169 -2.895
333 HG3 MET 46 HG1 MET 46 4.972 9.410 -4.144
334 HE1 MET 46 HE1 MET 46 4.442 11.201 -2.249
335 HE2 MET 46 HE2 MET 46 4.387 9.913 -1.045
336 HE3 MET 46 HE3 MET 46 3.076 11.086 -1.140
337 H GLU 47 HN GLU 47 4.824 5.018 -5.546
338 HA GLU 47 HA GLU 47 3.135 4.503 -7.706
339 HB2 GLU 47 HB2 GLU 47 5.593 4.419 -7.607
340 HB3 GLU 47 HB1 GLU 47 5.492 2.918 -6.711
341 HG2 GLU 47 HG2 GLU 47 5.920 2.348 -8.997
342 HG3 GLU 47 HG1 GLU 47 4.273 1.876 -8.597
343 H THR 48 HN THR 48 4.033 2.536 -4.901
344 HA THR 48 HA THR 48 2.524 0.232 -5.380
345 HB THR 48 HB THR 48 3.181 1.531 -2.716
346 HG1 THR 48 HG1 THR 48 5.104 1.105 -3.852
347 HG21 THR 48 HG21 THR 48 2.978 -0.730 -1.804
348 HG22 THR 48 HG22 THR 48 2.518 -1.336 -3.395
349 HG23 THR 48 HG23 THR 48 1.462 -0.207 -2.540
350 H ALA 49 HN ALA 49 1.754 2.992 -3.292
351 HA ALA 49 HA ALA 49 -0.771 2.237 -2.475
352 HB1 ALA 49 HB1 ALA 49 0.327 5.046 -2.714
353 HB2 ALA 49 HB2 ALA 49 0.663 3.960 -1.381
354 HB3 ALA 49 HB3 ALA 49 -0.990 4.521 -1.661
355 H ALA 50 HN ALA 50 0.148 4.492 -5.093
356 HA ALA 50 HA ALA 50 -2.470 5.099 -5.880
357 HB1 ALA 50 HB1 ALA 50 -0.523 6.446 -6.505
358 HB2 ALA 50 HB2 ALA 50 -1.488 5.999 -7.912
359 HB3 ALA 50 HB3 ALA 50 0.025 5.152 -7.571
360 H ARG 51 HN ARG 51 -0.301 2.514 -6.864
361 HA ARG 51 HA ARG 51 -1.896 1.584 -8.984
362 HB2 ARG 51 HB2 ARG 51 0.446 1.010 -8.836
363 HB3 ARG 51 HB1 ARG 51 0.188 0.194 -7.306
364 HG2 ARG 51 HG2 ARG 51 -0.885 -1.616 -8.338
365 HG3 ARG 51 HG1 ARG 51 -1.112 -0.723 -9.845
366 HD2 ARG 51 HD2 ARG 51 1.586 -1.407 -8.713
367 HD3 ARG 51 HD1 ARG 51 0.734 -2.423 -9.876
368 HE ARG 51 HE ARG 51 0.682 -0.286 -11.258
369 HH11 ARG 51 HH11 ARG 51 3.408 -0.935 -9.056
370 HH12 ARG 51 HH12 ARG 51 4.576 -0.363 -10.128
371 HH21 ARG 51 HH21 ARG 51 2.286 0.586 -12.660
372 HH22 ARG 51 HH22 ARG 51 3.939 0.617 -12.200
373 H LEU 52 HN LEU 52 -2.005 1.028 -5.559
374 HA LEU 52 HA LEU 52 -3.974 -1.062 -5.671
375 HB2 LEU 52 HB2 LEU 52 -3.275 0.892 -3.468
376 HB3 LEU 52 HB1 LEU 52 -4.375 -0.453 -3.279
377 HG LEU 52 HG LEU 52 -1.439 -0.729 -3.931
378 HD11 LEU 52 HD11 LEU 52 -2.904 -1.074 -1.316
379 HD12 LEU 52 HD12 LEU 52 -1.779 0.229 -1.712
380 HD13 LEU 52 HD13 LEU 52 -1.200 -1.432 -1.606
381 HD21 LEU 52 HD21 LEU 52 -2.813 -2.599 -4.692
382 HD22 LEU 52 HD22 LEU 52 -3.515 -2.742 -3.079
383 HD23 LEU 52 HD23 LEU 52 -1.794 -3.056 -3.327
384 H GLU 53 HN GLU 53 -4.057 2.374 -4.876
385 HA GLU 53 HA GLU 53 -6.682 2.873 -4.524
386 HB2 GLU 53 HB2 GLU 53 -4.691 4.656 -5.892
387 HB3 GLU 53 HB1 GLU 53 -6.232 5.127 -5.203
388 HG2 GLU 53 HG2 GLU 53 -5.505 4.731 -3.012
389 HG3 GLU 53 HG1 GLU 53 -4.036 3.923 -3.575
390 H SER 54 HN SER 54 -4.935 3.328 -7.583
391 HA SER 54 HA SER 54 -7.180 4.252 -8.988
392 HB2 SER 54 HB2 SER 54 -4.813 4.837 -9.484
393 HB3 SER 54 HB1 SER 54 -4.572 3.205 -10.097
394 HG SER 54 HG SER 54 -5.047 4.859 -11.675
395 H ARG 55 HN ARG 55 -5.991 1.024 -8.435
396 HA ARG 55 HA ARG 55 -7.347 -0.086 -10.725
397 HB2 ARG 55 HB2 ARG 55 -5.320 -1.156 -9.740
398 HB3 ARG 55 HB1 ARG 55 -6.246 -1.517 -8.291
399 HG2 ARG 55 HG2 ARG 55 -7.761 -2.925 -9.642
400 HG3 ARG 55 HG1 ARG 55 -6.763 -2.603 -11.058
401 HD2 ARG 55 HD2 ARG 55 -4.839 -3.623 -9.905
402 HD3 ARG 55 HD1 ARG 55 -5.870 -3.973 -8.520
403 HE ARG 55 HE ARG 55 -6.860 -5.049 -10.994
404 HH11 ARG 55 HH11 ARG 55 -4.686 -5.737 -8.293
405 HH12 ARG 55 HH12 ARG 55 -4.758 -7.429 -8.459
406 HH21 ARG 55 HH21 ARG 55 -6.933 -7.261 -11.293
407 HH22 ARG 55 HH22 ARG 55 -6.092 -8.367 -10.294
408 H TYR 56 HN TYR 56 -8.179 0.729 -7.487
409 HA TYR 56 HA TYR 56 -10.629 -0.835 -7.783
410 HB2 TYR 56 HB2 TYR 56 -9.152 -0.184 -5.235
411 HB3 TYR 56 HB1 TYR 56 -10.697 -1.032 -5.316
412 HD1 TYR 56 HD1 TYR 56 -10.746 -3.173 -6.784
413 HD2 TYR 56 HD2 TYR 56 -7.156 -1.434 -5.321
414 HE1 TYR 56 HE1 TYR 56 -9.585 -5.304 -7.127
415 HE2 TYR 56 HE2 TYR 56 -5.977 -3.569 -5.657
416 HH TYR 56 HH TYR 56 -6.746 -6.115 -5.751
417 H GLY 57 HN GLY 57 -9.666 2.183 -8.085
418 HA2 GLY 57 HA2 GLY 57 -10.983 4.036 -8.452
419 HA3 GLY 57 HA1 GLY 57 -12.360 3.129 -7.856
420 H VAL 58 HN VAL 58 -9.333 3.877 -6.128
421 HA VAL 58 HA VAL 58 -10.886 5.726 -4.493
422 HB VAL 58 HB VAL 58 -9.847 5.031 -2.402
423 HG11 VAL 58 HG11 VAL 58 -10.779 2.831 -2.114
424 HG12 VAL 58 HG12 VAL 58 -10.857 2.648 -3.863
425 HG13 VAL 58 HG13 VAL 58 -11.872 3.863 -3.056
426 HG21 VAL 58 HG21 VAL 58 -8.459 2.877 -3.959
427 HG22 VAL 58 HG22 VAL 58 -8.391 3.103 -2.205
428 HG23 VAL 58 HG23 VAL 58 -7.678 4.310 -3.282
429 H SER 59 HN SER 59 -9.233 7.034 -2.992
430 HA SER 59 HA SER 59 -6.752 7.530 -4.401
431 HB2 SER 59 HB2 SER 59 -8.853 9.693 -4.096
432 HB3 SER 59 HB1 SER 59 -7.222 9.921 -4.732
433 HG SER 59 HG SER 59 -8.261 7.913 -6.022
434 H ILE 60 HN ILE 60 -5.253 7.740 -2.970
435 HA ILE 60 HA ILE 60 -5.790 8.940 -0.339
436 HB ILE 60 HB ILE 60 -3.603 6.996 -1.211
437 HG12 ILE 60 HG12 ILE 60 -5.891 6.639 0.738
438 HG13 ILE 60 HG11 ILE 60 -5.806 5.961 -0.882
439 HG21 ILE 60 HG21 ILE 60 -2.800 6.982 1.115
440 HG22 ILE 60 HG22 ILE 60 -3.995 8.198 1.544
441 HG23 ILE 60 HG23 ILE 60 -2.695 8.597 0.426
442 HD11 ILE 60 HD11 ILE 60 -3.969 5.296 1.407
443 HD12 ILE 60 HD12 ILE 60 -3.904 4.593 -0.210
444 HD13 ILE 60 HD13 ILE 60 -5.304 4.307 0.826
445 HA PRO 61 HA PRO 61 -3.735 12.400 -2.359
446 HB2 PRO 61 HB2 PRO 61 -3.437 13.736 0.106
447 HB3 PRO 61 HB1 PRO 61 -4.736 13.959 -1.067
448 HG2 PRO 61 HG2 PRO 61 -4.686 12.351 1.422
449 HG3 PRO 61 HG1 PRO 61 -6.044 13.186 0.654
450 HD2 PRO 61 HD2 PRO 61 -5.757 10.515 0.575
451 HD3 PRO 61 HD1 PRO 61 -6.467 11.418 -0.776
452 H ASP 62 HN ASP 62 -1.703 13.149 -2.520
453 HA ASP 62 HA ASP 62 0.445 11.483 -2.177
454 HB2 ASP 62 HB2 ASP 62 0.519 14.493 -2.364
455 HB3 ASP 62 HB1 ASP 62 1.939 13.468 -2.502
456 H ASP 63 HN ASP 63 -0.078 14.334 -0.123
457 HA ASP 63 HA ASP 63 1.997 13.838 1.671
458 HB2 ASP 63 HB2 ASP 63 1.002 15.982 1.759
459 HB3 ASP 63 HB1 ASP 63 -0.597 15.313 2.063
460 H VAL 64 HN VAL 64 -1.268 12.572 1.712
461 HA VAL 64 HA VAL 64 -0.978 11.406 4.319
462 HB VAL 64 HB VAL 64 -3.120 10.891 2.219
463 HG11 VAL 64 HG11 VAL 64 -2.994 9.085 3.858
464 HG12 VAL 64 HG12 VAL 64 -4.466 10.030 4.079
465 HG13 VAL 64 HG13 VAL 64 -3.099 10.255 5.171
466 HG21 VAL 64 HG21 VAL 64 -3.063 13.222 2.906
467 HG22 VAL 64 HG22 VAL 64 -3.121 12.741 4.602
468 HG23 VAL 64 HG23 VAL 64 -4.498 12.424 3.548
469 H ALA 65 HN ALA 65 -0.628 10.335 0.996
470 HA ALA 65 HA ALA 65 -0.154 7.602 1.551
471 HB1 ALA 65 HB1 ALA 65 -0.599 8.425 -0.735
472 HB2 ALA 65 HB2 ALA 65 0.935 7.549 -0.657
473 HB3 ALA 65 HB3 ALA 65 0.932 9.307 -0.702
474 H GLY 66 HN GLY 66 1.873 10.457 1.415
475 HA2 GLY 66 HA2 GLY 66 4.314 9.124 1.973
476 HA3 GLY 66 HA1 GLY 66 4.006 10.841 2.099
477 H ARG 67 HN ARG 67 1.633 9.408 3.878
478 HA ARG 67 HA ARG 67 3.053 9.906 6.404
479 HB2 ARG 67 HB2 ARG 67 1.037 11.261 5.849
480 HB3 ARG 67 HB1 ARG 67 0.084 9.791 5.854
481 HG2 ARG 67 HG2 ARG 67 0.700 9.488 8.256
482 HG3 ARG 67 HG1 ARG 67 1.485 11.068 8.194
483 HD2 ARG 67 HD2 ARG 67 -1.424 10.468 7.692
484 HD3 ARG 67 HD1 ARG 67 -0.743 11.315 9.080
485 HE ARG 67 HE ARG 67 0.079 12.715 6.868
486 HH11 ARG 67 HH11 ARG 67 -3.067 11.893 8.354
487 HH12 ARG 67 HH12 ARG 67 -3.836 13.283 7.743
488 HH21 ARG 67 HH21 ARG 67 -1.060 14.576 5.961
489 HH22 ARG 67 HH22 ARG 67 -2.681 14.834 6.394
490 H VAL 68 HN VAL 68 1.690 7.388 4.495
491 HA VAL 68 HA VAL 68 1.106 5.718 6.753
492 HB VAL 68 HB VAL 68 0.753 3.840 5.118
493 HG11 VAL 68 HG11 VAL 68 -0.740 6.376 4.571
494 HG12 VAL 68 HG12 VAL 68 -1.074 5.195 5.840
495 HG13 VAL 68 HG13 VAL 68 -1.284 4.756 4.145
496 HG21 VAL 68 HG21 VAL 68 2.249 4.567 3.275
497 HG22 VAL 68 HG22 VAL 68 1.178 5.953 2.993
498 HG23 VAL 68 HG23 VAL 68 0.592 4.333 2.720
499 H ASP 69 HN ASP 69 2.525 4.906 7.976
500 HA ASP 69 HA ASP 69 5.246 4.564 7.079
501 HB2 ASP 69 HB2 ASP 69 4.868 5.567 9.259
502 HB3 ASP 69 HB1 ASP 69 3.913 4.183 9.763
503 H THR 70 HN THR 70 2.536 2.654 8.136
504 HA THR 70 HA THR 70 3.985 0.245 7.268
505 HB THR 70 HB THR 70 2.510 -1.006 8.880
506 HG1 THR 70 HG1 THR 70 1.816 1.669 9.593
507 HG21 THR 70 HG21 THR 70 4.810 -0.395 9.478
508 HG22 THR 70 HG22 THR 70 3.737 -0.319 10.884
509 HG23 THR 70 HG23 THR 70 4.222 1.165 10.062
510 HA PRO 71 HA PRO 71 0.795 -0.539 4.246
511 HB2 PRO 71 HB2 PRO 71 0.860 -3.388 5.065
512 HB3 PRO 71 HB1 PRO 71 1.175 -2.663 3.483
513 HG2 PRO 71 HG2 PRO 71 3.172 -3.624 4.950
514 HG3 PRO 71 HG1 PRO 71 3.364 -2.122 4.022
515 HD2 PRO 71 HD2 PRO 71 2.842 -2.488 6.947
516 HD3 PRO 71 HD1 PRO 71 3.972 -1.380 6.136
517 H ARG 72 HN ARG 72 0.448 -1.627 7.512
518 HA ARG 72 HA ARG 72 -2.245 -2.472 7.436
519 HB2 ARG 72 HB2 ARG 72 -0.706 -2.930 9.329
520 HB3 ARG 72 HB1 ARG 72 -0.715 -1.220 9.736
521 HG2 ARG 72 HG2 ARG 72 -3.126 -1.356 10.145
522 HG3 ARG 72 HG1 ARG 72 -3.073 -3.080 9.785
523 HD2 ARG 72 HD2 ARG 72 -1.568 -1.697 11.996
524 HD3 ARG 72 HD1 ARG 72 -3.067 -2.600 12.192
525 HE ARG 72 HE ARG 72 -0.457 -3.743 11.443
526 HH11 ARG 72 HH11 ARG 72 -3.764 -4.213 12.600
527 HH12 ARG 72 HH12 ARG 72 -3.449 -5.690 13.390
528 HH21 ARG 72 HH21 ARG 72 0.003 -5.823 12.571
529 HH22 ARG 72 HH22 ARG 72 -1.281 -6.563 13.424
530 H GLU 73 HN GLU 73 -0.711 0.647 8.044
531 HA GLU 73 HA GLU 73 -3.044 2.179 8.491
532 HB2 GLU 73 HB2 GLU 73 -0.316 2.923 7.453
533 HB3 GLU 73 HB1 GLU 73 -1.523 4.096 7.935
534 HG2 GLU 73 HG2 GLU 73 -1.446 3.318 10.188
535 HG3 GLU 73 HG1 GLU 73 -0.354 2.008 9.729
536 H LEU 74 HN LEU 74 -1.169 1.365 5.660
537 HA LEU 74 HA LEU 74 -2.488 2.989 3.781
538 HB2 LEU 74 HB2 LEU 74 -0.295 1.820 3.446
539 HB3 LEU 74 HB1 LEU 74 -1.171 0.309 3.332
540 HG LEU 74 HG LEU 74 -2.256 1.076 1.277
541 HD11 LEU 74 HD11 LEU 74 -2.274 3.468 1.729
542 HD12 LEU 74 HD12 LEU 74 -1.500 3.123 0.180
543 HD13 LEU 74 HD13 LEU 74 -0.516 3.516 1.592
544 HD21 LEU 74 HD21 LEU 74 0.749 1.324 1.259
545 HD22 LEU 74 HD22 LEU 74 -0.268 1.020 -0.151
546 HD23 LEU 74 HD23 LEU 74 -0.172 -0.175 1.143
547 H LEU 75 HN LEU 75 -3.043 -0.372 4.796
548 HA LEU 75 HA LEU 75 -5.267 -0.819 3.124
549 HB2 LEU 75 HB2 LEU 75 -3.998 -2.666 4.072
550 HB3 LEU 75 HB1 LEU 75 -4.442 -2.175 5.693
551 HG LEU 75 HG LEU 75 -6.784 -2.753 5.242
552 HD11 LEU 75 HD11 LEU 75 -7.423 -3.934 3.207
553 HD12 LEU 75 HD12 LEU 75 -5.803 -3.705 2.548
554 HD13 LEU 75 HD13 LEU 75 -6.847 -2.313 2.845
555 HD21 LEU 75 HD21 LEU 75 -6.495 -5.183 5.128
556 HD22 LEU 75 HD22 LEU 75 -5.306 -4.436 6.194
557 HD23 LEU 75 HD23 LEU 75 -4.837 -4.956 4.575
558 H ASP 76 HN ASP 76 -4.900 0.576 6.299
559 HA ASP 76 HA ASP 76 -7.621 0.473 7.104
560 HB2 ASP 76 HB2 ASP 76 -5.679 0.966 8.625
561 HB3 ASP 76 HB1 ASP 76 -5.576 2.561 7.888
562 H LEU 77 HN LEU 77 -5.654 2.897 5.522
563 HA LEU 77 HA LEU 77 -7.655 4.842 5.202
564 HB2 LEU 77 HB2 LEU 77 -5.210 4.307 3.535
565 HB3 LEU 77 HB1 LEU 77 -6.201 5.741 3.419
566 HG LEU 77 HG LEU 77 -4.497 4.902 5.758
567 HD11 LEU 77 HD11 LEU 77 -3.249 5.805 3.896
568 HD12 LEU 77 HD12 LEU 77 -3.259 6.937 5.239
569 HD13 LEU 77 HD13 LEU 77 -4.302 7.216 3.844
570 HD21 LEU 77 HD21 LEU 77 -6.557 5.954 6.554
571 HD22 LEU 77 HD22 LEU 77 -6.288 7.317 5.470
572 HD23 LEU 77 HD23 LEU 77 -5.168 7.015 6.802
573 H ILE 78 HN ILE 78 -6.556 2.194 3.143
574 HA ILE 78 HA ILE 78 -8.383 2.841 1.093
575 HB ILE 78 HB ILE 78 -6.807 0.308 1.576
576 HG12 ILE 78 HG12 ILE 78 -6.524 2.627 -0.330
577 HG13 ILE 78 HG11 ILE 78 -5.431 2.164 0.966
578 HG21 ILE 78 HG21 ILE 78 -7.438 -0.402 -0.696
579 HG22 ILE 78 HG22 ILE 78 -8.523 0.982 -0.823
580 HG23 ILE 78 HG23 ILE 78 -8.848 -0.287 0.358
581 HD11 ILE 78 HD11 ILE 78 -5.993 0.588 -1.505
582 HD12 ILE 78 HD12 ILE 78 -4.812 0.156 -0.259
583 HD13 ILE 78 HD13 ILE 78 -4.577 1.605 -1.263
584 H ASN 79 HN ASN 79 -8.618 0.879 3.930
585 HA ASN 79 HA ASN 79 -11.118 -0.299 3.356
586 HB2 ASN 79 HB2 ASN 79 -9.686 0.344 5.895
587 HB3 ASN 79 HB1 ASN 79 -11.408 0.035 6.000
588 HD21 ASN 79 HD21 ASN 79 -9.219 -1.529 3.739
589 HD22 ASN 79 HD22 ASN 79 -9.369 -3.113 4.419
590 H GLY 80 HN GLY 80 -10.277 2.792 4.802
591 HA2 GLY 80 HA2 GLY 80 -12.956 3.640 5.217
592 HA3 GLY 80 HA1 GLY 80 -11.524 4.668 5.192
593 H ALA 81 HN ALA 81 -10.763 3.800 2.547
594 HA ALA 81 HA ALA 81 -12.300 5.678 1.042
595 HB1 ALA 81 HB1 ALA 81 -10.698 5.226 -0.733
596 HB2 ALA 81 HB2 ALA 81 -10.056 3.862 0.180
597 HB3 ALA 81 HB3 ALA 81 -9.876 5.504 0.802
598 H LEU 82 HN LEU 82 -11.657 2.184 0.720
599 HA LEU 82 HA LEU 82 -13.362 1.788 -1.481
600 HB2 LEU 82 HB2 LEU 82 -12.094 -0.045 0.489
601 HB3 LEU 82 HB1 LEU 82 -13.286 -0.661 -0.628
602 HG LEU 82 HG LEU 82 -10.624 0.603 -1.396
603 HD11 LEU 82 HD11 LEU 82 -10.436 -1.596 -0.374
604 HD12 LEU 82 HD12 LEU 82 -10.069 -1.645 -2.098
605 HD13 LEU 82 HD13 LEU 82 -11.627 -2.227 -1.510
606 HD21 LEU 82 HD21 LEU 82 -12.416 1.033 -3.042
607 HD22 LEU 82 HD22 LEU 82 -12.768 -0.696 -3.087
608 HD23 LEU 82 HD23 LEU 82 -11.209 -0.098 -3.654
609 H ALA 83 HN ALA 83 -13.979 1.586 1.993
610 HA ALA 83 HA ALA 83 -16.531 0.364 1.704
611 HB1 ALA 83 HB1 ALA 83 -15.495 2.076 3.954
612 HB2 ALA 83 HB2 ALA 83 -15.271 0.329 3.819
613 HB3 ALA 83 HB3 ALA 83 -16.894 1.004 4.026
614 H GLU 84 HN GLU 84 -15.353 3.548 1.398
615 HA GLU 84 HA GLU 84 -17.949 4.772 1.689
616 HB2 GLU 84 HB2 GLU 84 -15.766 5.785 2.488
617 HB3 GLU 84 HB1 GLU 84 -15.375 6.054 0.797
618 HG2 GLU 84 HG2 GLU 84 -16.229 8.028 1.831
619 HG3 GLU 84 HG1 GLU 84 -17.347 7.476 0.569
620 H ALA 85 HN ALA 85 -15.459 4.405 -0.819
621 HA ALA 85 HA ALA 85 -17.161 5.387 -2.894
622 HB1 ALA 85 HB1 ALA 85 -15.313 4.810 -4.383
623 HB2 ALA 85 HB2 ALA 85 -14.501 3.961 -3.068
624 HB3 ALA 85 HB3 ALA 85 -14.727 5.707 -2.983
625 H ALA 86 HN ALA 86 -18.907 4.155 -3.107
626 HA ALA 86 HA ALA 86 -18.577 1.278 -3.400
627 HB1 ALA 86 HB1 ALA 86 -20.281 2.029 -1.811
628 HB2 ALA 86 HB2 ALA 86 -21.006 1.160 -3.165
629 HB3 ALA 86 HB3 ALA 86 -21.092 2.919 -3.102
630 H28 SXM 87 H28A SXM 87 7.637 13.844 -1.713
631 H28A SXM 87 H28B SXM 87 9.032 13.669 -2.769
632 H30 SXM 87 H30A SXM 87 5.861 11.944 -3.382
633 H30A SXM 87 H30B SXM 87 5.118 13.204 -4.366
634 H30B SXM 87 H30C SXM 87 5.346 13.458 -2.635
635 H31 SXM 87 H31C SXM 87 7.985 15.553 -4.094
636 H31A SXM 87 H31A SXM 87 6.556 15.540 -3.060
637 H31B SXM 87 H31B SXM 87 6.383 15.344 -4.804
638 H32 SXM 87 H32A SXM 87 8.767 13.314 -5.240
639 HO33 SXM 87 H33A SXM 87 7.679 14.100 -6.790
640 HN36 SXM 87 H36A SXM 87 6.629 11.815 -6.855
641 H37 SXM 87 H37B SXM 87 5.803 9.383 -6.420
642 H37A SXM 87 H37A SXM 87 7.525 9.140 -6.068
643 H38 SXM 87 H38A SXM 87 8.056 9.967 -8.381
644 H38A SXM 87 H38B SXM 87 7.381 8.396 -8.166
645 HN41 SXM 87 H41A SXM 87 7.336 9.580 -10.527
646 H42 SXM 87 H42A SXM 87 4.873 9.079 -11.515
647 H42A SXM 87 H42B SXM 87 4.947 10.850 -11.333
648 H43 SXM 87 H43A SXM 87 7.055 9.166 -12.667
649 H43A SXM 87 H43B SXM 87 6.832 10.928 -12.858
650 H2 SXM 87 H2A SXM 87 6.944 9.259 -17.329
651 H2A SXM 87 H2B SXM 87 5.239 9.472 -16.945
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 -18.522 -6.343 5.755
2 H2 MET 1 HT2 MET 1 -17.530 -5.298 4.855
3 H3 MET 1 HT3 MET 1 -17.935 -6.808 4.228
4 HA MET 1 HA MET 1 -20.231 -6.206 4.128
5 HB2 MET 1 HB2 MET 1 -20.219 -4.533 5.913
6 HB3 MET 1 HB1 MET 1 -19.149 -3.508 4.976
7 HG2 MET 1 HG2 MET 1 -20.902 -3.111 3.360
8 HG3 MET 1 HG1 MET 1 -21.970 -4.228 4.216
9 HE1 MET 1 HE1 MET 1 -23.798 -2.245 4.231
10 HE2 MET 1 HE2 MET 1 -22.656 -1.140 3.463
11 HE3 MET 1 HE3 MET 1 -23.500 -0.656 4.935
12 H ALA 2 HN ALA 2 -17.582 -3.956 3.272
13 HA ALA 2 HA ALA 2 -18.334 -4.290 0.462
14 HB1 ALA 2 HB1 ALA 2 -16.898 -2.318 0.104
15 HB2 ALA 2 HB2 ALA 2 -16.534 -2.286 1.827
16 HB3 ALA 2 HB3 ALA 2 -18.180 -1.973 1.268
17 H THR 3 HN THR 3 -16.541 -4.746 -1.002
18 HA THR 3 HA THR 3 -14.738 -6.613 0.236
19 HB THR 3 HB THR 3 -13.956 -6.996 -2.153
20 HG1 THR 3 HG1 THR 3 -16.044 -5.099 -2.678
21 HG21 THR 3 HG21 THR 3 -15.604 -8.439 -1.092
22 HG22 THR 3 HG22 THR 3 -16.001 -8.210 -2.795
23 HG23 THR 3 HG23 THR 3 -16.895 -7.331 -1.555
24 H LEU 4 HN LEU 4 -13.092 -5.846 1.246
25 HA LEU 4 HA LEU 4 -11.727 -3.443 0.335
26 HB2 LEU 4 HB2 LEU 4 -11.280 -5.110 2.810
27 HB3 LEU 4 HB1 LEU 4 -10.622 -3.519 2.489
28 HG LEU 4 HG LEU 4 -13.521 -4.173 2.900
29 HD11 LEU 4 HD11 LEU 4 -13.315 -2.908 4.965
30 HD12 LEU 4 HD12 LEU 4 -11.577 -2.738 4.685
31 HD13 LEU 4 HD13 LEU 4 -12.279 -4.336 4.960
32 HD21 LEU 4 HD21 LEU 4 -13.865 -1.741 2.927
33 HD22 LEU 4 HD22 LEU 4 -13.274 -2.320 1.370
34 HD23 LEU 4 HD23 LEU 4 -12.174 -1.510 2.486
35 H LEU 5 HN LEU 5 -9.279 -3.556 0.452
36 HA LEU 5 HA LEU 5 -8.342 -5.471 -1.320
37 HB2 LEU 5 HB2 LEU 5 -6.803 -3.643 0.534
38 HB3 LEU 5 HB1 LEU 5 -6.075 -4.689 -0.677
39 HG LEU 5 HG LEU 5 -8.032 -2.489 -1.249
40 HD11 LEU 5 HD11 LEU 5 -5.040 -2.620 -1.506
41 HD12 LEU 5 HD12 LEU 5 -5.939 -1.657 -0.332
42 HD13 LEU 5 HD13 LEU 5 -6.066 -1.298 -2.055
43 HD21 LEU 5 HD21 LEU 5 -8.027 -4.286 -2.896
44 HD22 LEU 5 HD22 LEU 5 -6.272 -4.162 -3.029
45 HD23 LEU 5 HD23 LEU 5 -7.294 -2.816 -3.535
46 H THR 6 HN THR 6 -7.734 -7.395 -1.133
47 HA THR 6 HA THR 6 -7.616 -8.728 1.379
48 HB THR 6 HB THR 6 -6.975 -10.723 -0.076
49 HG1 THR 6 HG1 THR 6 -7.511 -8.855 -2.181
50 HG21 THR 6 HG21 THR 6 -9.203 -10.929 -1.101
51 HG22 THR 6 HG22 THR 6 -9.474 -9.205 -0.843
52 HG23 THR 6 HG23 THR 6 -9.303 -10.287 0.538
53 H THR 7 HN THR 7 -5.702 -9.878 2.143
54 HA THR 7 HA THR 7 -3.568 -8.047 2.241
55 HB THR 7 HB THR 7 -3.343 -10.892 3.213
56 HG1 THR 7 HG1 THR 7 -5.137 -8.839 4.042
57 HG21 THR 7 HG21 THR 7 -2.181 -9.790 5.070
58 HG22 THR 7 HG22 THR 7 -2.544 -8.211 4.382
59 HG23 THR 7 HG23 THR 7 -1.455 -9.313 3.534
60 H ASP 8 HN ASP 8 -4.117 -10.994 0.417
61 HA ASP 8 HA ASP 8 -1.415 -11.283 -0.524
62 HB2 ASP 8 HB2 ASP 8 -4.007 -12.432 -1.582
63 HB3 ASP 8 HB1 ASP 8 -2.447 -12.753 -2.327
64 H ASP 9 HN ASP 9 -4.259 -9.653 -1.741
65 HA ASP 9 HA ASP 9 -3.177 -8.983 -4.308
66 HB2 ASP 9 HB2 ASP 9 -5.629 -8.990 -3.730
67 HB3 ASP 9 HB1 ASP 9 -5.340 -7.586 -2.730
68 H LEU 10 HN LEU 10 -3.517 -7.358 -1.224
69 HA LEU 10 HA LEU 10 -2.254 -4.933 -1.778
70 HB2 LEU 10 HB2 LEU 10 -3.515 -5.402 0.278
71 HB3 LEU 10 HB1 LEU 10 -2.300 -6.556 0.769
72 HG LEU 10 HG LEU 10 -0.652 -4.690 0.909
73 HD11 LEU 10 HD11 LEU 10 -1.704 -3.123 -0.607
74 HD12 LEU 10 HD12 LEU 10 -1.475 -2.396 0.983
75 HD13 LEU 10 HD13 LEU 10 -3.074 -2.954 0.490
76 HD21 LEU 10 HD21 LEU 10 -1.775 -5.524 2.893
77 HD22 LEU 10 HD22 LEU 10 -3.122 -4.420 2.614
78 HD23 LEU 10 HD23 LEU 10 -1.527 -3.782 3.006
79 H ARG 11 HN ARG 11 -0.994 -8.037 -0.653
80 HA ARG 11 HA ARG 11 1.683 -7.442 -0.300
81 HB2 ARG 11 HB2 ARG 11 0.627 -9.626 0.285
82 HB3 ARG 11 HB1 ARG 11 0.564 -10.020 -1.427
83 HG2 ARG 11 HG2 ARG 11 3.058 -9.825 -1.486
84 HG3 ARG 11 HG1 ARG 11 3.027 -9.639 0.267
85 HD2 ARG 11 HD2 ARG 11 2.050 -12.018 -1.315
86 HD3 ARG 11 HD1 ARG 11 3.515 -11.935 -0.342
87 HE ARG 11 HE ARG 11 1.035 -11.428 1.060
88 HH11 ARG 11 HH11 ARG 11 3.458 -13.909 0.190
89 HH12 ARG 11 HH12 ARG 11 2.982 -14.959 1.443
90 HH21 ARG 11 HH21 ARG 11 0.413 -12.889 2.661
91 HH22 ARG 11 HH22 ARG 11 1.186 -14.398 2.899
92 H ARG 12 HN ARG 12 0.124 -8.767 -3.273
93 HA ARG 12 HA ARG 12 2.397 -8.747 -4.789
94 HB2 ARG 12 HB2 ARG 12 0.507 -10.049 -5.368
95 HB3 ARG 12 HB1 ARG 12 -0.517 -8.633 -5.475
96 HG2 ARG 12 HG2 ARG 12 0.138 -9.732 -7.567
97 HG3 ARG 12 HG1 ARG 12 0.408 -7.986 -7.514
98 HD2 ARG 12 HD2 ARG 12 2.278 -9.305 -8.597
99 HD3 ARG 12 HD1 ARG 12 2.778 -8.299 -7.245
100 HE ARG 12 HE ARG 12 2.153 -10.971 -6.471
101 HH11 ARG 12 HH11 ARG 12 4.755 -8.981 -7.957
102 HH12 ARG 12 HH12 ARG 12 6.000 -9.965 -7.359
103 HH21 ARG 12 HH21 ARG 12 3.887 -12.197 -5.589
104 HH22 ARG 12 HH22 ARG 12 5.517 -11.834 -5.967
105 H ALA 13 HN ALA 13 -0.093 -6.219 -4.518
106 HA ALA 13 HA ALA 13 1.054 -4.489 -6.420
107 HB1 ALA 13 HB1 ALA 13 -0.276 -2.731 -5.380
108 HB2 ALA 13 HB2 ALA 13 -0.558 -3.762 -3.976
109 HB3 ALA 13 HB3 ALA 13 -1.221 -4.210 -5.549
110 H LEU 14 HN LEU 14 1.587 -4.845 -2.966
111 HA LEU 14 HA LEU 14 3.316 -2.664 -2.599
112 HB2 LEU 14 HB2 LEU 14 2.090 -3.970 -0.836
113 HB3 LEU 14 HB1 LEU 14 3.244 -5.264 -1.069
114 HG LEU 14 HG LEU 14 5.049 -3.714 -0.360
115 HD11 LEU 14 HD11 LEU 14 4.428 -1.638 0.751
116 HD12 LEU 14 HD12 LEU 14 2.742 -1.902 0.308
117 HD13 LEU 14 HD13 LEU 14 3.950 -1.629 -0.946
118 HD21 LEU 14 HD21 LEU 14 2.783 -4.094 1.592
119 HD22 LEU 14 HD22 LEU 14 4.464 -3.754 2.011
120 HD23 LEU 14 HD23 LEU 14 4.043 -5.267 1.214
121 H VAL 15 HN VAL 15 3.845 -6.049 -3.413
122 HA VAL 15 HA VAL 15 6.671 -6.039 -3.400
123 HB VAL 15 HB VAL 15 4.795 -7.797 -5.036
124 HG11 VAL 15 HG11 VAL 15 7.711 -8.197 -4.375
125 HG12 VAL 15 HG12 VAL 15 7.054 -7.809 -5.965
126 HG13 VAL 15 HG13 VAL 15 6.676 -9.356 -5.208
127 HG21 VAL 15 HG21 VAL 15 5.172 -9.471 -3.298
128 HG22 VAL 15 HG22 VAL 15 4.437 -8.014 -2.635
129 HG23 VAL 15 HG23 VAL 15 6.157 -8.320 -2.399
130 H GLU 16 HN GLU 16 4.315 -5.463 -5.978
131 HA GLU 16 HA GLU 16 6.118 -5.201 -8.113
132 HB2 GLU 16 HB2 GLU 16 3.466 -3.797 -7.744
133 HB3 GLU 16 HB1 GLU 16 4.347 -3.933 -9.255
134 HG2 GLU 16 HG2 GLU 16 3.190 -6.215 -7.678
135 HG3 GLU 16 HG1 GLU 16 2.482 -5.488 -9.116
136 H SER 17 HN SER 17 4.628 -2.652 -6.107
137 HA SER 17 HA SER 17 6.223 -0.654 -7.350
138 HB2 SER 17 HB2 SER 17 4.321 -0.468 -5.018
139 HB3 SER 17 HB1 SER 17 4.970 0.886 -5.948
140 HG SER 17 HG SER 17 3.720 0.388 -7.621
141 H ALA 18 HN ALA 18 6.978 -2.834 -5.007
142 HA ALA 18 HA ALA 18 8.424 -1.384 -3.061
143 HB1 ALA 18 HB1 ALA 18 7.880 -3.763 -2.819
144 HB2 ALA 18 HB2 ALA 18 9.608 -3.470 -2.613
145 HB3 ALA 18 HB3 ALA 18 9.002 -4.150 -4.124
146 H GLY 19 HN GLY 19 9.052 -1.986 -6.317
147 HA2 GLY 19 HA2 GLY 19 11.398 -0.398 -6.271
148 HA3 GLY 19 HA1 GLY 19 11.762 -2.097 -6.584
149 H GLU 20 HN GLU 20 11.422 -2.906 -8.518
150 HA GLU 20 HA GLU 20 9.805 -1.311 -10.344
151 HB2 GLU 20 HB2 GLU 20 12.220 -0.950 -10.743
152 HB3 GLU 20 HB1 GLU 20 12.408 -2.676 -11.013
153 HG2 GLU 20 HG2 GLU 20 11.053 -2.578 -12.972
154 HG3 GLU 20 HG1 GLU 20 10.639 -0.893 -12.653
155 H THR 21 HN THR 21 8.061 -2.567 -10.165
156 HA THR 21 HA THR 21 6.704 -4.323 -10.252
157 HB THR 21 HB THR 21 6.858 -5.499 -12.595
158 HG1 THR 21 HG1 THR 21 8.327 -4.746 -13.913
159 HG21 THR 21 HG21 THR 21 5.202 -3.866 -11.924
160 HG22 THR 21 HG22 THR 21 5.749 -3.540 -13.573
161 HG23 THR 21 HG23 THR 21 6.343 -2.558 -12.225
162 H ASP 22 HN ASP 22 7.394 -5.371 -8.575
163 HA ASP 22 HA ASP 22 7.734 -7.207 -7.368
164 HB2 ASP 22 HB2 ASP 22 7.277 -8.719 -9.354
165 HB3 ASP 22 HB1 ASP 22 8.976 -8.596 -9.785
166 H GLY 23 HN GLY 23 8.923 -5.705 -6.416
167 HA2 GLY 23 HA2 GLY 23 11.794 -5.680 -6.991
168 HA3 GLY 23 HA1 GLY 23 10.929 -4.507 -6.011
169 H THR 24 HN THR 24 9.567 -6.405 -4.359
170 HA THR 24 HA THR 24 11.504 -8.085 -3.053
171 HB THR 24 HB THR 24 10.448 -5.602 -1.622
172 HG1 THR 24 HG1 THR 24 12.471 -5.762 -3.160
173 HG21 THR 24 HG21 THR 24 12.264 -7.815 -0.634
174 HG22 THR 24 HG22 THR 24 10.587 -7.570 -0.152
175 HG23 THR 24 HG23 THR 24 11.813 -6.375 0.279
176 H ASP 25 HN ASP 25 10.155 -9.812 -2.802
177 HA ASP 25 HA ASP 25 7.328 -9.524 -2.418
178 HB2 ASP 25 HB2 ASP 25 8.233 -11.488 -3.571
179 HB3 ASP 25 HB1 ASP 25 9.087 -11.968 -2.111
180 H LEU 26 HN LEU 26 6.154 -9.659 -0.614
181 HA LEU 26 HA LEU 26 7.627 -9.593 1.890
182 HB2 LEU 26 HB2 LEU 26 4.874 -8.518 1.229
183 HB3 LEU 26 HB1 LEU 26 5.487 -8.633 2.861
184 HG LEU 26 HG LEU 26 5.674 -6.391 2.207
185 HD11 LEU 26 HD11 LEU 26 7.538 -7.141 3.485
186 HD12 LEU 26 HD12 LEU 26 8.063 -5.924 2.321
187 HD13 LEU 26 HD13 LEU 26 8.394 -7.630 2.023
188 HD21 LEU 26 HD21 LEU 26 6.888 -5.611 0.218
189 HD22 LEU 26 HD22 LEU 26 5.498 -6.610 -0.203
190 HD23 LEU 26 HD23 LEU 26 7.124 -7.287 -0.283
191 H SER 27 HN SER 27 7.804 -11.770 1.645
192 HA SER 27 HA SER 27 5.743 -13.672 1.697
193 HB2 SER 27 HB2 SER 27 8.403 -13.993 3.055
194 HB3 SER 27 HB1 SER 27 7.441 -15.217 2.223
195 HG SER 27 HG SER 27 7.799 -13.552 0.352
196 H GLY 28 HN GLY 28 4.237 -13.952 3.256
197 HA2 GLY 28 HA2 GLY 28 3.649 -14.660 5.431
198 HA3 GLY 28 HA1 GLY 28 5.057 -13.810 6.063
199 H ASP 29 HN ASP 29 3.507 -12.900 7.627
200 HA ASP 29 HA ASP 29 1.712 -10.965 6.478
201 HB2 ASP 29 HB2 ASP 29 0.867 -10.542 8.699
202 HB3 ASP 29 HB1 ASP 29 1.029 -12.278 8.525
203 H PHE 30 HN PHE 30 2.001 -8.846 6.448
204 HA PHE 30 HA PHE 30 4.760 -8.036 7.063
205 HB2 PHE 30 HB2 PHE 30 4.770 -6.780 4.887
206 HB3 PHE 30 HB1 PHE 30 4.776 -8.533 4.770
207 HD1 PHE 30 HD1 PHE 30 2.822 -5.492 4.198
208 HD2 PHE 30 HD2 PHE 30 2.859 -9.731 3.889
209 HE1 PHE 30 HE1 PHE 30 0.848 -5.400 2.739
210 HE2 PHE 30 HE2 PHE 30 0.885 -9.645 2.432
211 HZ PHE 30 HZ PHE 30 -0.121 -7.477 1.853
212 H LEU 31 HN LEU 31 1.647 -7.250 7.737
213 HA LEU 31 HA LEU 31 1.610 -4.488 7.337
214 HB2 LEU 31 HB2 LEU 31 -0.049 -6.376 8.891
215 HB3 LEU 31 HB1 LEU 31 -0.157 -4.682 9.325
216 HG LEU 31 HG LEU 31 -0.829 -4.118 7.061
217 HD11 LEU 31 HD11 LEU 31 0.311 -5.822 5.805
218 HD12 LEU 31 HD12 LEU 31 -1.408 -5.768 5.427
219 HD13 LEU 31 HD13 LEU 31 -0.774 -7.056 6.462
220 HD21 LEU 31 HD21 LEU 31 -3.039 -5.163 7.071
221 HD22 LEU 31 HD22 LEU 31 -2.549 -4.604 8.670
222 HD23 LEU 31 HD23 LEU 31 -2.468 -6.322 8.269
223 H ASP 32 HN ASP 32 3.354 -6.195 9.688
224 HA ASP 32 HA ASP 32 3.460 -4.010 11.590
225 HB2 ASP 32 HB2 ASP 32 3.597 -6.287 12.404
226 HB3 ASP 32 HB1 ASP 32 5.001 -6.599 11.401
227 H LEU 33 HN LEU 33 5.165 -4.973 8.783
228 HA LEU 33 HA LEU 33 7.694 -3.840 9.469
229 HB2 LEU 33 HB2 LEU 33 6.563 -4.797 6.844
230 HB3 LEU 33 HB1 LEU 33 8.139 -4.057 6.963
231 HG LEU 33 HG LEU 33 8.407 -6.416 6.829
232 HD11 LEU 33 HD11 LEU 33 9.982 -5.299 8.230
233 HD12 LEU 33 HD12 LEU 33 9.643 -6.912 8.862
234 HD13 LEU 33 HD13 LEU 33 8.925 -5.496 9.628
235 HD21 LEU 33 HD21 LEU 33 6.232 -7.155 7.592
236 HD22 LEU 33 HD22 LEU 33 6.614 -6.663 9.244
237 HD23 LEU 33 HD23 LEU 33 7.504 -7.987 8.487
238 H ARG 34 HN ARG 34 8.113 -1.798 9.611
239 HA ARG 34 HA ARG 34 6.477 0.257 8.463
240 HB2 ARG 34 HB2 ARG 34 9.272 0.407 9.585
241 HB3 ARG 34 HB1 ARG 34 8.316 1.789 9.103
242 HG2 ARG 34 HG2 ARG 34 6.697 1.237 10.880
243 HG3 ARG 34 HG1 ARG 34 7.759 -0.094 11.381
244 HD2 ARG 34 HD2 ARG 34 9.591 1.472 11.683
245 HD3 ARG 34 HD1 ARG 34 8.559 2.797 11.179
246 HE ARG 34 HE ARG 34 7.473 1.438 13.422
247 HH11 ARG 34 HH11 ARG 34 9.742 3.974 12.416
248 HH12 ARG 34 HH12 ARG 34 10.050 4.541 13.980
249 HH21 ARG 34 HH21 ARG 34 7.751 2.227 15.482
250 HH22 ARG 34 HH22 ARG 34 8.845 3.478 15.890
251 H PHE 35 HN PHE 35 6.935 1.525 6.690
252 HA PHE 35 HA PHE 35 8.372 0.230 4.636
253 HB2 PHE 35 HB2 PHE 35 7.057 2.924 4.738
254 HB3 PHE 35 HB1 PHE 35 7.846 2.290 3.292
255 HD1 PHE 35 HD2 PHE 35 7.121 -0.305 2.863
256 HD2 PHE 35 HD1 PHE 35 4.816 2.689 4.784
257 HE1 PHE 35 HE2 PHE 35 5.078 -1.527 2.316
258 HE2 PHE 35 HE1 PHE 35 2.771 1.479 4.236
259 HZ PHE 35 HZ PHE 35 2.948 -0.698 2.933
260 H GLU 36 HN GLU 36 9.162 2.874 6.755
261 HA GLU 36 HA GLU 36 11.568 3.679 5.513
262 HB2 GLU 36 HB2 GLU 36 12.149 4.679 7.646
263 HB3 GLU 36 HB1 GLU 36 10.434 4.924 7.359
264 HG2 GLU 36 HG2 GLU 36 9.918 3.070 8.882
265 HG3 GLU 36 HG1 GLU 36 11.638 2.824 9.157
266 H ASP 37 HN ASP 37 10.717 0.929 7.348
267 HA ASP 37 HA ASP 37 13.410 0.240 8.129
268 HB2 ASP 37 HB2 ASP 37 11.553 -0.214 9.655
269 HB3 ASP 37 HB1 ASP 37 10.796 -1.247 8.450
270 H ILE 38 HN ILE 38 11.005 -0.722 5.781
271 HA ILE 38 HA ILE 38 12.881 -2.669 4.729
272 HB ILE 38 HB ILE 38 10.989 -3.477 3.279
273 HG12 ILE 38 HG12 ILE 38 9.357 -1.637 5.060
274 HG13 ILE 38 HG11 ILE 38 9.588 -1.450 3.328
275 HG21 ILE 38 HG21 ILE 38 9.884 -4.678 5.126
276 HG22 ILE 38 HG22 ILE 38 10.620 -3.548 6.262
277 HG23 ILE 38 HG23 ILE 38 11.641 -4.619 5.300
278 HD11 ILE 38 HD11 ILE 38 8.141 -3.720 4.686
279 HD12 ILE 38 HD12 ILE 38 8.375 -3.543 2.946
280 HD13 ILE 38 HD13 ILE 38 7.398 -2.369 3.825
281 H GLY 39 HN GLY 39 13.221 0.146 4.398
282 HA2 GLY 39 HA2 GLY 39 14.253 1.488 2.856
283 HA3 GLY 39 HA1 GLY 39 14.455 0.046 1.890
284 H TYR 40 HN TYR 40 11.317 1.454 2.718
285 HA TYR 40 HA TYR 40 10.835 1.842 -0.122
286 HB2 TYR 40 HB2 TYR 40 9.115 1.759 2.303
287 HB3 TYR 40 HB1 TYR 40 8.547 2.618 0.887
288 HD1 TYR 40 HD1 TYR 40 10.178 -0.694 1.561
289 HD2 TYR 40 HD2 TYR 40 7.029 1.448 -0.318
290 HE1 TYR 40 HE1 TYR 40 9.243 -2.807 0.730
291 HE2 TYR 40 HE2 TYR 40 6.088 -0.632 -1.166
292 HH TYR 40 HH TYR 40 6.717 -2.964 -1.599
293 H ASP 41 HN ASP 41 11.117 3.714 -1.025
294 HA ASP 41 HA ASP 41 11.099 6.088 0.625
295 HB2 ASP 41 HB2 ASP 41 11.826 5.623 -2.260
296 HB3 ASP 41 HB1 ASP 41 11.551 7.245 -1.637
297 H SER 42 HN SER 42 9.883 7.970 -0.280
298 HA SER 42 HA SER 42 7.215 7.433 0.064
299 HB2 SER 42 HB2 SER 42 6.920 9.741 -0.839
300 HB3 SER 42 HB1 SER 42 7.972 9.569 0.568
301 H LEU 43 HN LEU 43 8.873 8.193 -3.022
302 HA LEU 43 HA LEU 43 6.496 8.279 -4.517
303 HB2 LEU 43 HB2 LEU 43 8.804 9.166 -5.170
304 HB3 LEU 43 HB1 LEU 43 9.216 7.530 -5.609
305 HG LEU 43 HG LEU 43 8.673 9.008 -7.540
306 HD11 LEU 43 HD11 LEU 43 6.789 6.689 -7.235
307 HD12 LEU 43 HD12 LEU 43 8.444 6.623 -7.846
308 HD13 LEU 43 HD13 LEU 43 7.205 7.492 -8.751
309 HD21 LEU 43 HD21 LEU 43 6.965 10.375 -6.513
310 HD22 LEU 43 HD22 LEU 43 5.889 8.982 -6.394
311 HD23 LEU 43 HD23 LEU 43 6.344 9.613 -7.978
312 H ALA 44 HN ALA 44 8.660 5.603 -3.794
313 HA ALA 44 HA ALA 44 7.389 3.690 -5.450
314 HB1 ALA 44 HB1 ALA 44 8.544 2.021 -4.067
315 HB2 ALA 44 HB2 ALA 44 8.935 3.270 -2.885
316 HB3 ALA 44 HB3 ALA 44 9.629 3.342 -4.504
317 H LEU 45 HN LEU 45 6.923 4.702 -2.135
318 HA LEU 45 HA LEU 45 4.919 2.811 -1.503
319 HB2 LEU 45 HB2 LEU 45 6.290 3.899 0.179
320 HB3 LEU 45 HB1 LEU 45 5.632 5.461 -0.253
321 HG LEU 45 HG LEU 45 3.477 4.856 0.645
322 HD11 LEU 45 HD11 LEU 45 3.497 2.490 0.025
323 HD12 LEU 45 HD12 LEU 45 3.131 2.701 1.738
324 HD13 LEU 45 HD13 LEU 45 4.740 2.181 1.239
325 HD21 LEU 45 HD21 LEU 45 5.159 5.756 2.167
326 HD22 LEU 45 HD22 LEU 45 5.736 4.123 2.503
327 HD23 LEU 45 HD23 LEU 45 4.111 4.603 2.992
328 H MET 46 HN MET 46 4.857 6.126 -2.707
329 HA MET 46 HA MET 46 2.081 6.609 -2.703
330 HB2 MET 46 HB2 MET 46 4.172 7.598 -4.662
331 HB3 MET 46 HB1 MET 46 2.550 8.242 -4.507
332 HG2 MET 46 HG2 MET 46 3.034 9.004 -2.280
333 HG3 MET 46 HG1 MET 46 4.631 8.272 -2.351
334 HE1 MET 46 HE1 MET 46 5.793 10.587 -1.673
335 HE2 MET 46 HE2 MET 46 4.204 11.347 -1.583
336 HE3 MET 46 HE3 MET 46 5.493 12.109 -2.515
337 H GLU 47 HN GLU 47 4.252 5.261 -5.115
338 HA GLU 47 HA GLU 47 2.457 4.794 -7.186
339 HB2 GLU 47 HB2 GLU 47 5.088 4.584 -6.860
340 HB3 GLU 47 HB1 GLU 47 4.695 2.889 -6.654
341 HG2 GLU 47 HG2 GLU 47 4.125 4.581 -9.085
342 HG3 GLU 47 HG1 GLU 47 5.367 3.348 -8.934
343 H THR 48 HN THR 48 3.404 2.829 -4.420
344 HA THR 48 HA THR 48 2.022 0.453 -4.945
345 HB THR 48 HB THR 48 2.385 1.752 -2.224
346 HG1 THR 48 HG1 THR 48 4.403 1.426 -3.553
347 HG21 THR 48 HG21 THR 48 2.079 -1.139 -3.046
348 HG22 THR 48 HG22 THR 48 0.847 -0.158 -2.258
349 HG23 THR 48 HG23 THR 48 2.335 -0.561 -1.398
350 H ALA 49 HN ALA 49 1.021 3.209 -2.941
351 HA ALA 49 HA ALA 49 -1.593 2.378 -2.425
352 HB1 ALA 49 HB1 ALA 49 -0.456 4.139 -1.147
353 HB2 ALA 49 HB2 ALA 49 -2.018 4.685 -1.748
354 HB3 ALA 49 HB3 ALA 49 -0.535 5.203 -2.551
355 H ALA 50 HN ALA 50 -0.404 4.663 -4.898
356 HA ALA 50 HA ALA 50 -2.895 5.277 -5.996
357 HB1 ALA 50 HB1 ALA 50 -1.684 6.178 -7.892
358 HB2 ALA 50 HB2 ALA 50 -0.227 5.314 -7.396
359 HB3 ALA 50 HB3 ALA 50 -0.872 6.607 -6.386
360 H ARG 51 HN ARG 51 -0.687 2.631 -6.728
361 HA ARG 51 HA ARG 51 -1.939 1.710 -9.059
362 HB2 ARG 51 HB2 ARG 51 0.276 0.922 -8.373
363 HB3 ARG 51 HB1 ARG 51 -0.412 0.161 -6.950
364 HG2 ARG 51 HG2 ARG 51 -1.574 -1.447 -8.315
365 HG3 ARG 51 HG1 ARG 51 -1.062 -0.620 -9.785
366 HD2 ARG 51 HD2 ARG 51 0.733 -1.988 -7.782
367 HD3 ARG 51 HD1 ARG 51 0.312 -2.591 -9.385
368 HE ARG 51 HE ARG 51 1.852 -0.145 -8.867
369 HH11 ARG 51 HH11 ARG 51 1.249 -3.007 -10.896
370 HH12 ARG 51 HH12 ARG 51 2.444 -2.605 -12.043
371 HH21 ARG 51 HH21 ARG 51 3.438 0.349 -10.349
372 HH22 ARG 51 HH22 ARG 51 3.787 -0.623 -11.725
373 H LEU 52 HN LEU 52 -2.733 1.311 -5.738
374 HA LEU 52 HA LEU 52 -4.741 -0.705 -6.230
375 HB2 LEU 52 HB2 LEU 52 -4.024 0.914 -3.790
376 HB3 LEU 52 HB1 LEU 52 -5.203 -0.389 -3.818
377 HG LEU 52 HG LEU 52 -2.297 -0.793 -4.536
378 HD11 LEU 52 HD11 LEU 52 -3.675 -1.288 -1.909
379 HD12 LEU 52 HD12 LEU 52 -2.456 -0.052 -2.226
380 HD13 LEU 52 HD13 LEU 52 -2.027 -1.762 -2.322
381 HD21 LEU 52 HD21 LEU 52 -2.858 -3.153 -4.176
382 HD22 LEU 52 HD22 LEU 52 -3.839 -2.435 -5.451
383 HD23 LEU 52 HD23 LEU 52 -4.534 -2.699 -3.853
384 H GLU 53 HN GLU 53 -4.613 2.644 -5.227
385 HA GLU 53 HA GLU 53 -7.337 3.240 -5.096
386 HB2 GLU 53 HB2 GLU 53 -5.047 5.090 -5.819
387 HB3 GLU 53 HB1 GLU 53 -6.655 5.501 -5.211
388 HG2 GLU 53 HG2 GLU 53 -4.673 3.895 -3.681
389 HG3 GLU 53 HG1 GLU 53 -4.941 5.631 -3.493
390 H SER 54 HN SER 54 -5.189 3.869 -7.941
391 HA SER 54 HA SER 54 -7.360 4.956 -9.405
392 HB2 SER 54 HB2 SER 54 -4.702 3.912 -10.390
393 HB3 SER 54 HB1 SER 54 -5.804 4.959 -11.290
394 HG SER 54 HG SER 54 -3.940 5.831 -9.894
395 H ARG 55 HN ARG 55 -6.263 1.830 -8.872
396 HA ARG 55 HA ARG 55 -7.292 0.446 -11.121
397 HB2 ARG 55 HB2 ARG 55 -5.493 -0.259 -9.637
398 HB3 ARG 55 HB1 ARG 55 -6.627 -0.369 -8.319
399 HG2 ARG 55 HG2 ARG 55 -7.702 -2.259 -9.414
400 HG3 ARG 55 HG1 ARG 55 -6.541 -2.122 -10.757
401 HD2 ARG 55 HD2 ARG 55 -4.692 -2.379 -9.225
402 HD3 ARG 55 HD1 ARG 55 -5.794 -2.428 -7.865
403 HE ARG 55 HE ARG 55 -5.799 -4.493 -9.942
404 HH11 ARG 55 HH11 ARG 55 -5.620 -3.489 -6.537
405 HH12 ARG 55 HH12 ARG 55 -5.531 -5.075 -5.923
406 HH21 ARG 55 HH21 ARG 55 -5.646 -6.702 -9.058
407 HH22 ARG 55 HH22 ARG 55 -5.525 -6.871 -7.355
408 H TYR 56 HN TYR 56 -8.651 1.553 -8.078
409 HA TYR 56 HA TYR 56 -11.174 0.172 -8.712
410 HB2 TYR 56 HB2 TYR 56 -10.156 1.205 -6.057
411 HB3 TYR 56 HB1 TYR 56 -11.796 0.619 -6.308
412 HD1 TYR 56 HD1 TYR 56 -12.184 -1.795 -6.790
413 HD2 TYR 56 HD2 TYR 56 -8.313 -0.295 -5.865
414 HE1 TYR 56 HE1 TYR 56 -11.427 -4.064 -6.306
415 HE2 TYR 56 HE2 TYR 56 -7.539 -2.577 -5.391
416 HH TYR 56 HH TYR 56 -8.612 -4.772 -4.672
417 H GLY 57 HN GLY 57 -9.725 3.245 -8.433
418 HA2 GLY 57 HA2 GLY 57 -10.723 5.160 -9.455
419 HA3 GLY 57 HA1 GLY 57 -12.305 4.493 -9.074
420 H VAL 58 HN VAL 58 -9.699 4.543 -6.799
421 HA VAL 58 HA VAL 58 -11.033 6.668 -5.330
422 HB VAL 58 HB VAL 58 -10.389 5.545 -3.162
423 HG11 VAL 58 HG11 VAL 58 -12.609 5.079 -4.217
424 HG12 VAL 58 HG12 VAL 58 -11.932 3.721 -3.264
425 HG13 VAL 58 HG13 VAL 58 -11.774 3.721 -5.022
426 HG21 VAL 58 HG21 VAL 58 -8.520 4.321 -3.909
427 HG22 VAL 58 HG22 VAL 58 -9.548 3.329 -4.979
428 HG23 VAL 58 HG23 VAL 58 -9.709 3.212 -3.221
429 H SER 59 HN SER 59 -9.132 7.407 -3.415
430 HA SER 59 HA SER 59 -6.624 7.662 -4.838
431 HB2 SER 59 HB2 SER 59 -8.449 10.004 -4.528
432 HB3 SER 59 HB1 SER 59 -6.734 10.167 -4.933
433 HG SER 59 HG SER 59 -8.049 8.360 -6.473
434 H ILE 60 HN ILE 60 -5.497 6.986 -2.975
435 HA ILE 60 HA ILE 60 -5.520 8.562 -0.562
436 HB ILE 60 HB ILE 60 -3.332 6.718 -1.638
437 HG12 ILE 60 HG12 ILE 60 -5.294 5.395 -1.229
438 HG13 ILE 60 HG11 ILE 60 -4.127 5.064 0.043
439 HG21 ILE 60 HG21 ILE 60 -2.377 8.257 -0.030
440 HG22 ILE 60 HG22 ILE 60 -2.406 6.637 0.653
441 HG23 ILE 60 HG23 ILE 60 -3.602 7.826 1.157
442 HD11 ILE 60 HD11 ILE 60 -6.534 6.848 0.268
443 HD12 ILE 60 HD12 ILE 60 -5.381 6.498 1.559
444 HD13 ILE 60 HD13 ILE 60 -6.387 5.207 0.896
445 HA PRO 61 HA PRO 61 -3.319 11.919 -2.634
446 HB2 PRO 61 HB2 PRO 61 -2.918 12.837 0.167
447 HB3 PRO 61 HB1 PRO 61 -3.652 13.695 -1.194
448 HG2 PRO 61 HG2 PRO 61 -5.154 12.770 0.797
449 HG3 PRO 61 HG1 PRO 61 -5.717 12.694 -0.883
450 HD2 PRO 61 HD2 PRO 61 -4.565 10.524 0.826
451 HD3 PRO 61 HD1 PRO 61 -5.935 10.464 -0.304
452 H ASP 62 HN ASP 62 -1.186 11.977 -3.150
453 HA ASP 62 HA ASP 62 0.602 10.124 -2.119
454 HB2 ASP 62 HB2 ASP 62 2.332 11.112 -3.518
455 HB3 ASP 62 HB1 ASP 62 0.822 10.976 -4.394
456 H ASP 63 HN ASP 63 0.101 13.386 -1.053
457 HA ASP 63 HA ASP 63 2.501 13.618 0.470
458 HB2 ASP 63 HB2 ASP 63 -0.199 14.948 0.893
459 HB3 ASP 63 HB1 ASP 63 1.215 15.310 1.867
460 H VAL 64 HN VAL 64 -0.551 12.138 1.031
461 HA VAL 64 HA VAL 64 -0.032 11.517 3.819
462 HB VAL 64 HB VAL 64 -2.248 10.603 1.969
463 HG11 VAL 64 HG11 VAL 64 -3.462 10.018 4.032
464 HG12 VAL 64 HG12 VAL 64 -2.042 10.460 4.982
465 HG13 VAL 64 HG13 VAL 64 -1.967 9.097 3.868
466 HG21 VAL 64 HG21 VAL 64 -2.281 13.016 2.250
467 HG22 VAL 64 HG22 VAL 64 -2.235 12.831 4.005
468 HG23 VAL 64 HG23 VAL 64 -3.643 12.282 3.097
469 H ALA 65 HN ALA 65 -0.101 9.978 0.677
470 HA ALA 65 HA ALA 65 0.229 7.312 1.342
471 HB1 ALA 65 HB1 ALA 65 1.472 8.749 -0.995
472 HB2 ALA 65 HB2 ALA 65 -0.166 8.082 -0.968
473 HB3 ALA 65 HB3 ALA 65 1.239 7.010 -0.870
474 H GLY 66 HN GLY 66 2.685 9.829 0.893
475 HA2 GLY 66 HA2 GLY 66 4.832 8.009 1.581
476 HA3 GLY 66 HA1 GLY 66 4.985 9.734 1.274
477 H ARG 67 HN ARG 67 2.667 8.545 3.564
478 HA ARG 67 HA ARG 67 4.419 9.267 5.805
479 HB2 ARG 67 HB2 ARG 67 2.980 11.191 5.265
480 HB3 ARG 67 HB1 ARG 67 1.559 10.175 5.395
481 HG2 ARG 67 HG2 ARG 67 1.968 9.900 7.787
482 HG3 ARG 67 HG1 ARG 67 3.432 10.877 7.651
483 HD2 ARG 67 HD2 ARG 67 0.638 11.808 7.010
484 HD3 ARG 67 HD1 ARG 67 1.536 12.189 8.483
485 HE ARG 67 HE ARG 67 3.230 13.115 6.732
486 HH11 ARG 67 HH11 ARG 67 -0.323 13.488 6.610
487 HH12 ARG 67 HH12 ARG 67 -0.221 14.987 5.802
488 HH21 ARG 67 HH21 ARG 67 3.323 15.008 5.628
489 HH22 ARG 67 HH22 ARG 67 1.942 15.874 5.114
490 H VAL 68 HN VAL 68 2.455 6.958 4.388
491 HA VAL 68 HA VAL 68 1.341 5.981 6.842
492 HB VAL 68 HB VAL 68 0.463 4.057 5.454
493 HG11 VAL 68 HG11 VAL 68 -0.195 6.845 4.564
494 HG12 VAL 68 HG12 VAL 68 -0.867 5.994 5.958
495 HG13 VAL 68 HG13 VAL 68 -1.215 5.429 4.323
496 HG21 VAL 68 HG21 VAL 68 0.440 4.323 3.001
497 HG22 VAL 68 HG22 VAL 68 2.088 4.080 3.592
498 HG23 VAL 68 HG23 VAL 68 1.530 5.691 3.139
499 H ASP 69 HN ASP 69 2.671 5.329 8.220
500 HA ASP 69 HA ASP 69 5.194 4.378 8.172
501 HB2 ASP 69 HB2 ASP 69 3.011 3.509 10.064
502 HB3 ASP 69 HB1 ASP 69 4.727 3.256 10.331
503 H THR 70 HN THR 70 2.376 2.235 8.320
504 HA THR 70 HA THR 70 4.118 0.007 7.509
505 HB THR 70 HB THR 70 2.537 -1.410 8.774
506 HG1 THR 70 HG1 THR 70 1.132 0.054 10.281
507 HG21 THR 70 HG21 THR 70 3.188 -0.702 11.051
508 HG22 THR 70 HG22 THR 70 3.654 0.882 10.421
509 HG23 THR 70 HG23 THR 70 4.549 -0.556 9.937
510 HA PRO 71 HA PRO 71 1.203 -0.850 4.158
511 HB2 PRO 71 HB2 PRO 71 0.941 -3.634 5.168
512 HB3 PRO 71 HB1 PRO 71 1.460 -3.067 3.576
513 HG2 PRO 71 HG2 PRO 71 3.221 -4.074 5.294
514 HG3 PRO 71 HG1 PRO 71 3.633 -2.677 4.278
515 HD2 PRO 71 HD2 PRO 71 2.858 -2.759 7.168
516 HD3 PRO 71 HD1 PRO 71 4.120 -1.800 6.368
517 H ARG 72 HN ARG 72 0.570 -1.722 7.416
518 HA ARG 72 HA ARG 72 -2.171 -2.308 7.269
519 HB2 ARG 72 HB2 ARG 72 -0.830 -2.897 9.208
520 HB3 ARG 72 HB1 ARG 72 -0.510 -1.205 9.537
521 HG2 ARG 72 HG2 ARG 72 -2.888 -0.855 10.017
522 HG3 ARG 72 HG1 ARG 72 -3.197 -2.560 9.693
523 HD2 ARG 72 HD2 ARG 72 -1.362 -1.482 11.825
524 HD3 ARG 72 HD1 ARG 72 -2.987 -2.114 12.089
525 HE ARG 72 HE ARG 72 -2.135 -4.246 11.190
526 HH11 ARG 72 HH11 ARG 72 0.114 -1.960 12.742
527 HH12 ARG 72 HH12 ARG 72 1.194 -3.182 13.249
528 HH21 ARG 72 HH21 ARG 72 -0.549 -5.911 11.895
529 HH22 ARG 72 HH22 ARG 72 0.826 -5.375 12.774
530 H GLU 73 HN GLU 73 -0.331 0.657 7.979
531 HA GLU 73 HA GLU 73 -2.464 2.413 8.391
532 HB2 GLU 73 HB2 GLU 73 0.256 2.982 7.193
533 HB3 GLU 73 HB1 GLU 73 -0.864 4.207 7.761
534 HG2 GLU 73 HG2 GLU 73 0.418 2.084 9.463
535 HG3 GLU 73 HG1 GLU 73 0.933 3.764 9.351
536 H LEU 74 HN LEU 74 -0.730 1.578 5.439
537 HA LEU 74 HA LEU 74 -2.141 3.245 3.634
538 HB2 LEU 74 HB2 LEU 74 0.075 2.027 3.230
539 HB3 LEU 74 HB1 LEU 74 -0.874 0.570 3.037
540 HG LEU 74 HG LEU 74 -1.298 2.921 1.199
541 HD11 LEU 74 HD11 LEU 74 0.670 0.655 0.890
542 HD12 LEU 74 HD12 LEU 74 1.080 2.349 1.149
543 HD13 LEU 74 HD13 LEU 74 0.272 1.854 -0.339
544 HD21 LEU 74 HD21 LEU 74 -2.969 1.120 1.184
545 HD22 LEU 74 HD22 LEU 74 -1.687 -0.056 0.877
546 HD23 LEU 74 HD23 LEU 74 -2.060 1.179 -0.326
547 H LEU 75 HN LEU 75 -2.576 -0.178 4.461
548 HA LEU 75 HA LEU 75 -4.791 -0.648 2.830
549 HB2 LEU 75 HB2 LEU 75 -3.485 -2.458 3.753
550 HB3 LEU 75 HB1 LEU 75 -3.917 -1.994 5.381
551 HG LEU 75 HG LEU 75 -6.253 -2.653 4.946
552 HD11 LEU 75 HD11 LEU 75 -6.324 -2.256 2.541
553 HD12 LEU 75 HD12 LEU 75 -6.858 -3.879 2.947
554 HD13 LEU 75 HD13 LEU 75 -5.242 -3.628 2.273
555 HD21 LEU 75 HD21 LEU 75 -4.717 -4.257 5.929
556 HD22 LEU 75 HD22 LEU 75 -4.209 -4.781 4.325
557 HD23 LEU 75 HD23 LEU 75 -5.863 -5.070 4.866
558 H ASP 76 HN ASP 76 -4.578 0.562 6.120
559 HA ASP 76 HA ASP 76 -7.313 0.283 6.798
560 HB2 ASP 76 HB2 ASP 76 -5.478 0.602 8.445
561 HB3 ASP 76 HB1 ASP 76 -5.314 2.265 7.899
562 H LEU 77 HN LEU 77 -5.454 2.856 5.347
563 HA LEU 77 HA LEU 77 -7.453 4.831 5.262
564 HB2 LEU 77 HB2 LEU 77 -5.158 4.265 3.409
565 HB3 LEU 77 HB1 LEU 77 -6.172 5.678 3.279
566 HG LEU 77 HG LEU 77 -4.345 4.995 5.582
567 HD11 LEU 77 HD11 LEU 77 -3.159 5.681 3.556
568 HD12 LEU 77 HD12 LEU 77 -3.060 6.926 4.787
569 HD13 LEU 77 HD13 LEU 77 -4.175 7.111 3.439
570 HD21 LEU 77 HD21 LEU 77 -6.061 7.437 5.109
571 HD22 LEU 77 HD22 LEU 77 -4.905 7.227 6.425
572 HD23 LEU 77 HD23 LEU 77 -6.341 6.206 6.340
573 H ILE 78 HN ILE 78 -6.528 2.296 2.979
574 HA ILE 78 HA ILE 78 -8.511 3.035 1.082
575 HB ILE 78 HB ILE 78 -7.006 0.402 1.238
576 HG12 ILE 78 HG12 ILE 78 -6.305 3.003 -0.131
577 HG13 ILE 78 HG11 ILE 78 -5.394 2.184 1.133
578 HG21 ILE 78 HG21 ILE 78 -7.489 0.257 -1.157
579 HG22 ILE 78 HG22 ILE 78 -8.392 1.768 -1.072
580 HG23 ILE 78 HG23 ILE 78 -8.978 0.341 -0.216
581 HD11 ILE 78 HD11 ILE 78 -4.295 1.828 -0.956
582 HD12 ILE 78 HD12 ILE 78 -5.820 1.319 -1.695
583 HD13 ILE 78 HD13 ILE 78 -5.061 0.292 -0.473
584 H ASN 79 HN ASN 79 -8.340 0.794 3.750
585 HA ASN 79 HA ASN 79 -10.709 -0.616 3.305
586 HB2 ASN 79 HB2 ASN 79 -9.429 0.191 5.928
587 HB3 ASN 79 HB1 ASN 79 -10.835 -0.846 5.827
588 HD21 ASN 79 HD21 ASN 79 -9.759 -2.227 3.415
589 HD22 ASN 79 HD22 ASN 79 -8.490 -3.231 4.021
590 H GLY 80 HN GLY 80 -10.145 2.529 4.732
591 HA2 GLY 80 HA2 GLY 80 -12.862 2.949 5.468
592 HA3 GLY 80 HA1 GLY 80 -11.616 4.183 5.341
593 H ALA 81 HN ALA 81 -10.996 3.588 2.571
594 HA ALA 81 HA ALA 81 -12.992 5.290 1.410
595 HB1 ALA 81 HB1 ALA 81 -10.578 4.015 0.116
596 HB2 ALA 81 HB2 ALA 81 -10.606 5.593 0.893
597 HB3 ALA 81 HB3 ALA 81 -11.551 5.317 -0.561
598 H LEU 82 HN LEU 82 -11.816 2.009 0.780
599 HA LEU 82 HA LEU 82 -13.643 1.506 -1.320
600 HB2 LEU 82 HB2 LEU 82 -11.999 -0.365 0.352
601 HB3 LEU 82 HB1 LEU 82 -13.044 -0.913 -0.928
602 HG LEU 82 HG LEU 82 -10.512 0.745 -1.204
603 HD11 LEU 82 HD11 LEU 82 -10.208 -1.620 -0.861
604 HD12 LEU 82 HD12 LEU 82 -9.764 -1.141 -2.499
605 HD13 LEU 82 HD13 LEU 82 -11.294 -1.973 -2.205
606 HD21 LEU 82 HD21 LEU 82 -12.500 -0.047 -3.344
607 HD22 LEU 82 HD22 LEU 82 -10.943 0.742 -3.603
608 HD23 LEU 82 HD23 LEU 82 -12.233 1.597 -2.759
609 H ALA 83 HN ALA 83 -13.968 1.248 2.123
610 HA ALA 83 HA ALA 83 -16.113 -0.600 2.112
611 HB1 ALA 83 HB1 ALA 83 -16.564 0.150 4.387
612 HB2 ALA 83 HB2 ALA 83 -15.490 1.530 4.161
613 HB3 ALA 83 HB3 ALA 83 -14.836 -0.108 4.149
614 H GLU 84 HN GLU 84 -15.899 2.868 1.893
615 HA GLU 84 HA GLU 84 -18.797 3.082 1.838
616 HB2 GLU 84 HB2 GLU 84 -16.659 5.206 1.845
617 HB3 GLU 84 HB1 GLU 84 -18.392 5.501 1.949
618 HG2 GLU 84 HG2 GLU 84 -16.689 4.045 3.959
619 HG3 GLU 84 HG1 GLU 84 -17.407 5.642 4.140
620 H ALA 85 HN ALA 85 -17.613 1.748 -0.267
621 HA ALA 85 HA ALA 85 -18.675 3.293 -2.460
622 HB1 ALA 85 HB1 ALA 85 -16.783 2.691 -3.940
623 HB2 ALA 85 HB2 ALA 85 -15.935 1.988 -2.565
624 HB3 ALA 85 HB3 ALA 85 -16.248 3.723 -2.613
625 H ALA 86 HN ALA 86 -20.376 1.910 -2.472
626 HA ALA 86 HA ALA 86 -19.765 -0.954 -2.637
627 HB1 ALA 86 HB1 ALA 86 -22.055 -1.358 -1.893
628 HB2 ALA 86 HB2 ALA 86 -22.358 0.378 -1.860
629 HB3 ALA 86 HB3 ALA 86 -21.193 -0.334 -0.744
630 H28 SXM 87 H28A SXM 87 9.476 13.137 -1.297
631 H28A SXM 87 H28B SXM 87 8.008 12.172 -1.204
632 H30 SXM 87 H30A SXM 87 6.288 12.660 0.381
633 H30A SXM 87 H30B SXM 87 6.489 13.945 1.575
634 H30B SXM 87 H30C SXM 87 7.459 12.477 1.687
635 H31 SXM 87 H31C SXM 87 8.603 15.360 1.545
636 H31A SXM 87 H31A SXM 87 9.859 14.989 0.362
637 H31B SXM 87 H31B SXM 87 9.545 13.879 1.695
638 H32 SXM 87 H32A SXM 87 6.569 14.301 -1.384
639 HO33 SXM 87 H33A SXM 87 8.998 15.744 -1.591
640 HN36 SXM 87 H36A SXM 87 7.445 16.906 -1.991
641 H37 SXM 87 H37B SXM 87 6.735 18.656 0.224
642 H37A SXM 87 H37A SXM 87 5.645 18.666 -1.163
643 H38 SXM 87 H38A SXM 87 8.615 19.145 -1.246
644 H38A SXM 87 H38B SXM 87 7.500 19.312 -2.607
645 HN41 SXM 87 H41A SXM 87 9.218 21.177 -2.028
646 H42 SXM 87 H42A SXM 87 7.825 23.557 -1.906
647 H42A SXM 87 H42B SXM 87 8.488 23.265 -0.294
648 H43 SXM 87 H43A SXM 87 10.730 23.066 -1.260
649 H43A SXM 87 H43B SXM 87 9.997 24.626 -1.679
650 H2 SXM 87 H2A SXM 87 11.374 23.729 -5.776
651 H2A SXM 87 H2B SXM 87 13.042 24.145 -5.371
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -20.535 -2.707 2.385
2 H2 MET 1 HT2 MET 1 -20.263 -1.093 2.865
3 H3 MET 1 HT3 MET 1 -18.989 -2.080 2.472
4 HA MET 1 HA MET 1 -21.074 -1.337 0.558
5 HB2 MET 1 HB2 MET 1 -19.890 0.677 0.964
6 HB3 MET 1 HB1 MET 1 -18.345 -0.154 1.065
7 HG2 MET 1 HG2 MET 1 -18.563 1.131 -1.004
8 HG3 MET 1 HG1 MET 1 -18.382 -0.591 -1.312
9 HE1 MET 1 HE1 MET 1 -20.633 0.351 -4.290
10 HE2 MET 1 HE2 MET 1 -19.214 -0.548 -3.752
11 HE3 MET 1 HE3 MET 1 -19.240 1.212 -3.639
12 H ALA 2 HN ALA 2 -17.666 -2.493 0.841
13 HA ALA 2 HA ALA 2 -18.257 -4.465 -1.199
14 HB1 ALA 2 HB1 ALA 2 -17.624 -2.474 -2.474
15 HB2 ALA 2 HB2 ALA 2 -16.398 -3.730 -2.607
16 HB3 ALA 2 HB3 ALA 2 -16.131 -2.345 -1.543
17 H THR 3 HN THR 3 -16.079 -5.652 -1.633
18 HA THR 3 HA THR 3 -15.117 -6.510 0.914
19 HB THR 3 HB THR 3 -14.433 -7.336 -1.852
20 HG1 THR 3 HG1 THR 3 -16.467 -7.870 -0.047
21 HG21 THR 3 HG21 THR 3 -13.665 -9.453 -0.784
22 HG22 THR 3 HG22 THR 3 -14.024 -8.756 0.795
23 HG23 THR 3 HG23 THR 3 -12.750 -8.059 -0.207
24 H LEU 4 HN LEU 4 -13.634 -5.421 1.841
25 HA LEU 4 HA LEU 4 -11.962 -3.488 0.699
26 HB2 LEU 4 HB2 LEU 4 -11.526 -5.016 3.265
27 HB3 LEU 4 HB1 LEU 4 -10.857 -3.445 2.858
28 HG LEU 4 HG LEU 4 -13.765 -4.071 3.293
29 HD11 LEU 4 HD11 LEU 4 -12.557 -4.157 5.360
30 HD12 LEU 4 HD12 LEU 4 -13.567 -2.714 5.311
31 HD13 LEU 4 HD13 LEU 4 -11.829 -2.587 5.030
32 HD21 LEU 4 HD21 LEU 4 -14.115 -1.623 3.210
33 HD22 LEU 4 HD22 LEU 4 -13.529 -2.273 1.685
34 HD23 LEU 4 HD23 LEU 4 -12.422 -1.423 2.761
35 H LEU 5 HN LEU 5 -9.597 -3.553 0.581
36 HA LEU 5 HA LEU 5 -8.778 -5.691 -1.067
37 HB2 LEU 5 HB2 LEU 5 -7.095 -3.531 0.207
38 HB3 LEU 5 HB1 LEU 5 -6.571 -4.623 -1.057
39 HG LEU 5 HG LEU 5 -8.654 -2.478 -1.254
40 HD11 LEU 5 HD11 LEU 5 -5.985 -2.863 -2.586
41 HD12 LEU 5 HD12 LEU 5 -6.352 -1.723 -1.295
42 HD13 LEU 5 HD13 LEU 5 -7.106 -1.530 -2.881
43 HD21 LEU 5 HD21 LEU 5 -7.794 -4.508 -3.308
44 HD22 LEU 5 HD22 LEU 5 -8.865 -3.137 -3.597
45 HD23 LEU 5 HD23 LEU 5 -9.369 -4.432 -2.514
46 H THR 6 HN THR 6 -7.411 -7.358 -0.712
47 HA THR 6 HA THR 6 -7.171 -8.067 2.083
48 HB THR 6 HB THR 6 -6.387 -10.255 1.250
49 HG1 THR 6 HG1 THR 6 -6.786 -9.052 -1.326
50 HG21 THR 6 HG21 THR 6 -8.797 -9.891 1.577
51 HG22 THR 6 HG22 THR 6 -8.502 -10.975 0.218
52 HG23 THR 6 HG23 THR 6 -8.931 -9.288 -0.077
53 H THR 7 HN THR 7 -4.997 -9.307 2.560
54 HA THR 7 HA THR 7 -2.936 -7.465 2.164
55 HB THR 7 HB THR 7 -1.605 -9.486 3.180
56 HG1 THR 7 HG1 THR 7 -2.938 -11.121 3.156
57 HG21 THR 7 HG21 THR 7 -2.115 -7.393 4.367
58 HG22 THR 7 HG22 THR 7 -2.347 -8.780 5.431
59 HG23 THR 7 HG23 THR 7 -3.743 -7.979 4.710
60 H ASP 8 HN ASP 8 -4.083 -10.063 0.311
61 HA ASP 8 HA ASP 8 -1.626 -10.578 -1.067
62 HB2 ASP 8 HB2 ASP 8 -4.476 -11.315 -1.727
63 HB3 ASP 8 HB1 ASP 8 -3.124 -11.705 -2.781
64 H ASP 9 HN ASP 9 -4.470 -8.645 -1.650
65 HA ASP 9 HA ASP 9 -3.787 -7.589 -4.173
66 HB2 ASP 9 HB2 ASP 9 -5.309 -6.277 -1.897
67 HB3 ASP 9 HB1 ASP 9 -5.173 -5.594 -3.508
68 H LEU 10 HN LEU 10 -3.251 -6.438 -0.931
69 HA LEU 10 HA LEU 10 -1.747 -4.177 -1.547
70 HB2 LEU 10 HB2 LEU 10 -2.840 -4.595 0.611
71 HB3 LEU 10 HB1 LEU 10 -1.712 -5.891 0.931
72 HG LEU 10 HG LEU 10 0.128 -4.272 1.072
73 HD11 LEU 10 HD11 LEU 10 -0.335 -1.869 1.060
74 HD12 LEU 10 HD12 LEU 10 -2.018 -2.195 0.641
75 HD13 LEU 10 HD13 LEU 10 -0.734 -2.598 -0.498
76 HD21 LEU 10 HD21 LEU 10 -2.266 -3.559 2.749
77 HD22 LEU 10 HD22 LEU 10 -0.587 -3.180 3.141
78 HD23 LEU 10 HD23 LEU 10 -1.124 -4.862 3.079
79 H ARG 11 HN ARG 11 -0.667 -7.479 -0.639
80 HA ARG 11 HA ARG 11 2.034 -7.062 -0.606
81 HB2 ARG 11 HB2 ARG 11 1.289 -9.153 0.189
82 HB3 ARG 11 HB1 ARG 11 0.486 -9.542 -1.327
83 HG2 ARG 11 HG2 ARG 11 2.571 -9.914 -2.424
84 HG3 ARG 11 HG1 ARG 11 3.469 -9.252 -1.062
85 HD2 ARG 11 HD2 ARG 11 3.578 -11.695 -1.183
86 HD3 ARG 11 HD1 ARG 11 2.856 -11.122 0.309
87 HE ARG 11 HE ARG 11 0.794 -11.675 -1.494
88 HH11 ARG 11 HH11 ARG 11 3.460 -13.489 -0.084
89 HH12 ARG 11 HH12 ARG 11 2.553 -14.850 0.363
90 HH21 ARG 11 HH21 ARG 11 -0.567 -13.622 -0.910
91 HH22 ARG 11 HH22 ARG 11 0.211 -14.928 -0.179
92 H ARG 12 HN ARG 12 0.286 -8.252 -3.497
93 HA ARG 12 HA ARG 12 2.776 -8.121 -4.884
94 HB2 ARG 12 HB2 ARG 12 0.035 -8.735 -5.980
95 HB3 ARG 12 HB1 ARG 12 1.516 -8.793 -6.931
96 HG2 ARG 12 HG2 ARG 12 0.901 -10.497 -4.511
97 HG3 ARG 12 HG1 ARG 12 0.860 -11.019 -6.195
98 HD2 ARG 12 HD2 ARG 12 3.239 -10.699 -6.412
99 HD3 ARG 12 HD1 ARG 12 3.352 -9.972 -4.816
100 HE ARG 12 HE ARG 12 2.331 -12.665 -4.875
101 HH11 ARG 12 HH11 ARG 12 5.276 -10.699 -4.765
102 HH12 ARG 12 HH12 ARG 12 6.162 -11.794 -3.798
103 HH21 ARG 12 HH21 ARG 12 3.594 -14.243 -3.600
104 HH22 ARG 12 HH22 ARG 12 5.177 -13.871 -3.153
105 H ALA 13 HN ALA 13 0.240 -5.860 -4.514
106 HA ALA 13 HA ALA 13 1.130 -4.228 -6.670
107 HB1 ALA 13 HB1 ALA 13 -0.204 -2.461 -5.612
108 HB2 ALA 13 HB2 ALA 13 -0.388 -3.462 -4.172
109 HB3 ALA 13 HB3 ALA 13 -1.113 -3.970 -5.696
110 H LEU 14 HN LEU 14 1.864 -4.507 -3.255
111 HA LEU 14 HA LEU 14 3.476 -2.222 -2.928
112 HB2 LEU 14 HB2 LEU 14 2.343 -3.519 -1.144
113 HB3 LEU 14 HB1 LEU 14 3.469 -4.824 -1.407
114 HG LEU 14 HG LEU 14 5.312 -3.322 -0.678
115 HD11 LEU 14 HD11 LEU 14 4.270 -1.199 -1.264
116 HD12 LEU 14 HD12 LEU 14 4.725 -1.233 0.440
117 HD13 LEU 14 HD13 LEU 14 3.040 -1.451 -0.026
118 HD21 LEU 14 HD21 LEU 14 4.724 -3.394 1.688
119 HD22 LEU 14 HD22 LEU 14 4.200 -4.869 0.877
120 HD23 LEU 14 HD23 LEU 14 3.027 -3.614 1.271
121 H VAL 15 HN VAL 15 4.243 -5.610 -3.424
122 HA VAL 15 HA VAL 15 7.041 -5.447 -3.352
123 HB VAL 15 HB VAL 15 5.316 -7.431 -4.897
124 HG11 VAL 15 HG11 VAL 15 7.623 -7.436 -5.687
125 HG12 VAL 15 HG12 VAL 15 7.255 -8.915 -4.797
126 HG13 VAL 15 HG13 VAL 15 8.193 -7.631 -4.031
127 HG21 VAL 15 HG21 VAL 15 6.540 -7.615 -2.147
128 HG22 VAL 15 HG22 VAL 15 5.656 -8.902 -2.970
129 HG23 VAL 15 HG23 VAL 15 4.826 -7.418 -2.507
130 H GLU 16 HN GLU 16 5.030 -5.667 -6.313
131 HA GLU 16 HA GLU 16 7.194 -5.282 -8.058
132 HB2 GLU 16 HB2 GLU 16 4.276 -4.786 -8.562
133 HB3 GLU 16 HB1 GLU 16 5.518 -4.904 -9.797
134 HG2 GLU 16 HG2 GLU 16 5.975 -7.217 -9.025
135 HG3 GLU 16 HG1 GLU 16 4.598 -7.065 -7.934
136 H SER 17 HN SER 17 5.403 -2.922 -6.296
137 HA SER 17 HA SER 17 6.137 -0.843 -8.145
138 HB2 SER 17 HB2 SER 17 4.664 -0.657 -5.524
139 HB3 SER 17 HB1 SER 17 4.894 0.658 -6.681
140 HG SER 17 HG SER 17 3.271 -1.561 -6.759
141 H ALA 18 HN ALA 18 7.800 -2.451 -5.765
142 HA ALA 18 HA ALA 18 9.068 -0.384 -4.356
143 HB1 ALA 18 HB1 ALA 18 10.856 -2.009 -3.895
144 HB2 ALA 18 HB2 ALA 18 10.216 -3.068 -5.151
145 HB3 ALA 18 HB3 ALA 18 9.268 -2.748 -3.699
146 H GLY 19 HN GLY 19 10.132 -2.077 -7.298
147 HA2 GLY 19 HA2 GLY 19 10.654 0.189 -8.772
148 HA3 GLY 19 HA1 GLY 19 12.091 0.007 -7.787
149 H GLU 20 HN GLU 20 12.638 -2.544 -7.850
150 HA GLU 20 HA GLU 20 13.746 -2.881 -10.493
151 HB2 GLU 20 HB2 GLU 20 13.837 -4.668 -8.066
152 HB3 GLU 20 HB1 GLU 20 14.885 -4.768 -9.472
153 HG2 GLU 20 HG2 GLU 20 15.891 -2.660 -8.947
154 HG3 GLU 20 HG1 GLU 20 14.745 -2.398 -7.628
155 H THR 21 HN THR 21 13.787 -5.677 -10.760
156 HA THR 21 HA THR 21 11.308 -6.519 -11.781
157 HB THR 21 HB THR 21 13.472 -8.272 -10.570
158 HG1 THR 21 HG1 THR 21 13.418 -6.928 -13.087
159 HG21 THR 21 HG21 THR 21 11.670 -8.637 -12.973
160 HG22 THR 21 HG22 THR 21 11.458 -9.414 -11.405
161 HG23 THR 21 HG23 THR 21 12.865 -9.799 -12.397
162 H ASP 22 HN ASP 22 9.702 -6.121 -10.232
163 HA ASP 22 HA ASP 22 8.446 -6.198 -8.408
164 HB2 ASP 22 HB2 ASP 22 10.140 -8.634 -7.760
165 HB3 ASP 22 HB1 ASP 22 9.014 -7.993 -6.578
166 H GLY 23 HN GLY 23 11.334 -7.215 -6.704
167 HA2 GLY 23 HA2 GLY 23 12.886 -5.300 -6.151
168 HA3 GLY 23 HA1 GLY 23 11.425 -4.506 -5.576
169 H THR 24 HN THR 24 10.453 -5.238 -3.695
170 HA THR 24 HA THR 24 12.108 -6.977 -2.003
171 HB THR 24 HB THR 24 10.325 -4.654 -1.257
172 HG1 THR 24 HG1 THR 24 13.089 -4.869 -1.797
173 HG21 THR 24 HG21 THR 24 12.334 -6.223 0.385
174 HG22 THR 24 HG22 THR 24 10.579 -6.311 0.541
175 HG23 THR 24 HG23 THR 24 11.425 -4.821 0.955
176 H ASP 25 HN ASP 25 10.985 -8.847 -1.538
177 HA ASP 25 HA ASP 25 8.149 -8.991 -2.126
178 HB2 ASP 25 HB2 ASP 25 9.672 -10.827 -2.826
179 HB3 ASP 25 HB1 ASP 25 10.056 -11.131 -1.139
180 H LEU 26 HN LEU 26 6.567 -9.357 -0.621
181 HA LEU 26 HA LEU 26 7.332 -9.208 2.191
182 HB2 LEU 26 HB2 LEU 26 5.165 -7.621 0.807
183 HB3 LEU 26 HB1 LEU 26 5.160 -7.890 2.528
184 HG LEU 26 HG LEU 26 5.943 -5.727 2.206
185 HD11 LEU 26 HD11 LEU 26 8.207 -5.724 3.072
186 HD12 LEU 26 HD12 LEU 26 8.333 -7.446 2.709
187 HD13 LEU 26 HD13 LEU 26 7.152 -6.876 3.889
188 HD21 LEU 26 HD21 LEU 26 7.915 -6.765 0.179
189 HD22 LEU 26 HD22 LEU 26 7.827 -5.105 0.764
190 HD23 LEU 26 HD23 LEU 26 6.484 -5.787 -0.151
191 H SER 27 HN SER 27 7.065 -11.471 2.082
192 HA SER 27 HA SER 27 4.242 -12.280 2.117
193 HB2 SER 27 HB2 SER 27 6.641 -13.957 1.392
194 HB3 SER 27 HB1 SER 27 4.963 -14.528 1.440
195 HG SER 27 HG SER 27 6.266 -12.829 -0.331
196 H GLY 28 HN GLY 28 3.889 -14.299 3.542
197 HA2 GLY 28 HA2 GLY 28 4.339 -15.431 5.550
198 HA3 GLY 28 HA1 GLY 28 5.597 -14.239 5.914
199 H ASP 29 HN ASP 29 5.072 -12.273 6.683
200 HA ASP 29 HA ASP 29 2.367 -11.365 6.836
201 HB2 ASP 29 HB2 ASP 29 2.499 -12.707 8.940
202 HB3 ASP 29 HB1 ASP 29 3.918 -11.777 9.421
203 H PHE 30 HN PHE 30 2.444 -9.266 6.470
204 HA PHE 30 HA PHE 30 5.032 -7.915 6.907
205 HB2 PHE 30 HB2 PHE 30 5.018 -7.024 4.673
206 HB3 PHE 30 HB1 PHE 30 4.936 -8.780 4.602
207 HD1 PHE 30 HD2 PHE 30 2.683 -9.862 4.131
208 HD2 PHE 30 HD1 PHE 30 3.373 -5.687 3.663
209 HE1 PHE 30 HE2 PHE 30 0.673 -9.687 2.729
210 HE2 PHE 30 HE1 PHE 30 1.363 -5.510 2.264
211 HZ PHE 30 HZ PHE 30 0.016 -7.507 1.795
212 H LEU 31 HN LEU 31 1.714 -7.793 7.430
213 HA LEU 31 HA LEU 31 1.023 -5.298 6.527
214 HB2 LEU 31 HB2 LEU 31 -0.459 -7.170 6.952
215 HB3 LEU 31 HB1 LEU 31 -0.097 -7.089 8.660
216 HG LEU 31 HG LEU 31 -1.034 -4.942 8.763
217 HD11 LEU 31 HD11 LEU 31 -1.873 -5.437 5.875
218 HD12 LEU 31 HD12 LEU 31 -0.767 -4.181 6.432
219 HD13 LEU 31 HD13 LEU 31 -2.477 -4.102 6.856
220 HD21 LEU 31 HD21 LEU 31 -2.399 -6.829 9.332
221 HD22 LEU 31 HD22 LEU 31 -2.866 -7.052 7.645
222 HD23 LEU 31 HD23 LEU 31 -3.415 -5.630 8.534
223 H ASP 32 HN ASP 32 2.869 -6.260 9.287
224 HA ASP 32 HA ASP 32 2.463 -3.635 10.542
225 HB2 ASP 32 HB2 ASP 32 1.890 -5.503 12.001
226 HB3 ASP 32 HB1 ASP 32 3.443 -6.262 11.697
227 H LEU 33 HN LEU 33 4.497 -5.062 8.422
228 HA LEU 33 HA LEU 33 7.015 -4.286 9.608
229 HB2 LEU 33 HB2 LEU 33 6.398 -5.266 6.820
230 HB3 LEU 33 HB1 LEU 33 8.009 -4.950 7.432
231 HG LEU 33 HG LEU 33 6.103 -7.088 8.372
232 HD11 LEU 33 HD11 LEU 33 7.813 -8.613 7.516
233 HD12 LEU 33 HD12 LEU 33 8.755 -7.233 6.954
234 HD13 LEU 33 HD13 LEU 33 7.174 -7.565 6.246
235 HD21 LEU 33 HD21 LEU 33 7.361 -6.197 10.264
236 HD22 LEU 33 HD22 LEU 33 8.870 -6.409 9.378
237 HD23 LEU 33 HD23 LEU 33 7.918 -7.819 9.850
238 H ARG 34 HN ARG 34 7.821 -2.382 9.576
239 HA ARG 34 HA ARG 34 6.481 -0.225 8.310
240 HB2 ARG 34 HB2 ARG 34 9.097 -0.278 9.810
241 HB3 ARG 34 HB1 ARG 34 8.336 1.181 9.212
242 HG2 ARG 34 HG2 ARG 34 7.848 1.035 11.544
243 HG3 ARG 34 HG1 ARG 34 6.383 0.656 10.664
244 HD2 ARG 34 HD2 ARG 34 6.802 -0.829 12.617
245 HD3 ARG 34 HD1 ARG 34 6.629 -1.675 11.081
246 HE ARG 34 HE ARG 34 9.340 -1.022 11.874
247 HH11 ARG 34 HH11 ARG 34 6.765 -3.475 11.829
248 HH12 ARG 34 HH12 ARG 34 7.815 -4.770 12.159
249 HH21 ARG 34 HH21 ARG 34 10.804 -2.897 12.238
250 HH22 ARG 34 HH22 ARG 34 10.105 -4.446 12.287
251 H PHE 35 HN PHE 35 7.024 0.995 6.636
252 HA PHE 35 HA PHE 35 8.659 -0.117 4.598
253 HB2 PHE 35 HB2 PHE 35 7.321 2.589 4.786
254 HB3 PHE 35 HB1 PHE 35 8.102 1.954 3.338
255 HD1 PHE 35 HD2 PHE 35 7.294 -0.535 2.774
256 HD2 PHE 35 HD1 PHE 35 5.037 2.374 4.870
257 HE1 PHE 35 HE2 PHE 35 5.236 -1.701 2.170
258 HE2 PHE 35 HE1 PHE 35 2.974 1.211 4.281
259 HZ PHE 35 HZ PHE 35 3.064 -0.835 2.925
260 H GLU 36 HN GLU 36 9.075 2.302 7.025
261 HA GLU 36 HA GLU 36 11.468 3.496 6.259
262 HB2 GLU 36 HB2 GLU 36 10.020 4.166 8.141
263 HB3 GLU 36 HB1 GLU 36 10.493 2.722 9.007
264 HG2 GLU 36 HG2 GLU 36 12.746 3.533 9.185
265 HG3 GLU 36 HG1 GLU 36 12.337 4.963 8.227
266 H ASP 37 HN ASP 37 10.783 0.384 7.695
267 HA ASP 37 HA ASP 37 13.558 -0.214 8.231
268 HB2 ASP 37 HB2 ASP 37 11.991 -1.114 9.798
269 HB3 ASP 37 HB1 ASP 37 11.061 -1.882 8.512
270 H ILE 38 HN ILE 38 11.052 -1.406 6.030
271 HA ILE 38 HA ILE 38 12.916 -3.207 4.815
272 HB ILE 38 HB ILE 38 11.073 -3.824 3.245
273 HG12 ILE 38 HG12 ILE 38 9.498 -1.831 4.908
274 HG13 ILE 38 HG11 ILE 38 9.881 -1.680 3.201
275 HG21 ILE 38 HG21 ILE 38 11.443 -5.041 5.308
276 HG22 ILE 38 HG22 ILE 38 9.711 -4.923 4.982
277 HG23 ILE 38 HG23 ILE 38 10.456 -3.877 6.195
278 HD11 ILE 38 HD11 ILE 38 7.578 -2.370 3.544
279 HD12 ILE 38 HD12 ILE 38 8.123 -3.785 4.437
280 HD13 ILE 38 HD13 ILE 38 8.491 -3.634 2.718
281 H GLY 39 HN GLY 39 13.171 -0.228 4.529
282 HA2 GLY 39 HA2 GLY 39 14.354 1.101 3.068
283 HA3 GLY 39 HA1 GLY 39 14.637 -0.345 2.120
284 H TYR 40 HN TYR 40 11.549 1.218 2.861
285 HA TYR 40 HA TYR 40 11.108 1.419 -0.011
286 HB2 TYR 40 HB2 TYR 40 9.323 1.202 2.328
287 HB3 TYR 40 HB1 TYR 40 8.760 2.207 1.002
288 HD1 TYR 40 HD1 TYR 40 10.479 -1.101 1.304
289 HD2 TYR 40 HD2 TYR 40 7.282 1.153 -0.361
290 HE1 TYR 40 HE1 TYR 40 9.689 -3.099 0.150
291 HE2 TYR 40 HE2 TYR 40 6.487 -0.836 -1.553
292 HH TYR 40 HH TYR 40 7.236 -2.980 -2.298
293 H ASP 41 HN ASP 41 11.071 3.214 -1.048
294 HA ASP 41 HA ASP 41 11.308 5.756 0.338
295 HB2 ASP 41 HB2 ASP 41 11.200 5.041 -2.613
296 HB3 ASP 41 HB1 ASP 41 11.349 6.681 -2.003
297 H SER 42 HN SER 42 9.749 7.427 -0.050
298 HA SER 42 HA SER 42 7.088 6.619 0.218
299 HB2 SER 42 HB2 SER 42 7.885 9.273 -0.927
300 HB3 SER 42 HB1 SER 42 6.501 8.891 0.097
301 H LEU 43 HN LEU 43 8.962 7.586 -2.608
302 HA LEU 43 HA LEU 43 6.903 7.728 -4.473
303 HB2 LEU 43 HB2 LEU 43 9.079 8.521 -5.052
304 HB3 LEU 43 HB1 LEU 43 9.781 6.933 -4.841
305 HG LEU 43 HG LEU 43 8.662 6.123 -6.842
306 HD11 LEU 43 HD11 LEU 43 7.404 7.634 -8.300
307 HD12 LEU 43 HD12 LEU 43 7.467 8.894 -7.062
308 HD13 LEU 43 HD13 LEU 43 6.610 7.376 -6.756
309 HD21 LEU 43 HD21 LEU 43 10.831 7.181 -7.092
310 HD22 LEU 43 HD22 LEU 43 10.059 8.755 -7.282
311 HD23 LEU 43 HD23 LEU 43 9.820 7.503 -8.500
312 H ALA 44 HN ALA 44 8.805 4.840 -3.579
313 HA ALA 44 HA ALA 44 7.489 3.097 -5.385
314 HB1 ALA 44 HB1 ALA 44 8.450 1.289 -4.051
315 HB2 ALA 44 HB2 ALA 44 8.847 2.433 -2.765
316 HB3 ALA 44 HB3 ALA 44 9.644 2.552 -4.334
317 H LEU 45 HN LEU 45 6.871 4.127 -2.170
318 HA LEU 45 HA LEU 45 4.783 2.353 -1.509
319 HB2 LEU 45 HB2 LEU 45 6.147 3.518 0.104
320 HB3 LEU 45 HB1 LEU 45 5.590 5.061 -0.482
321 HG LEU 45 HG LEU 45 3.386 4.647 0.443
322 HD11 LEU 45 HD11 LEU 45 4.552 2.005 1.333
323 HD12 LEU 45 HD12 LEU 45 3.323 2.214 0.084
324 HD13 LEU 45 HD13 LEU 45 2.961 2.634 1.761
325 HD21 LEU 45 HD21 LEU 45 4.041 4.626 2.793
326 HD22 LEU 45 HD22 LEU 45 5.118 5.638 1.834
327 HD23 LEU 45 HD23 LEU 45 5.637 4.031 2.343
328 H MET 46 HN MET 46 4.801 5.707 -2.709
329 HA MET 46 HA MET 46 2.043 6.145 -2.966
330 HB2 MET 46 HB2 MET 46 4.355 7.216 -4.584
331 HB3 MET 46 HB1 MET 46 2.706 7.817 -4.701
332 HG2 MET 46 HG2 MET 46 2.750 8.460 -2.422
333 HG3 MET 46 HG1 MET 46 4.364 7.794 -2.226
334 HE1 MET 46 HE1 MET 46 3.442 10.867 -1.522
335 HE2 MET 46 HE2 MET 46 4.901 11.721 -2.030
336 HE3 MET 46 HE3 MET 46 5.031 10.196 -1.156
337 H GLU 47 HN GLU 47 4.411 4.860 -5.163
338 HA GLU 47 HA GLU 47 2.790 4.509 -7.407
339 HB2 GLU 47 HB2 GLU 47 5.214 4.589 -7.240
340 HB3 GLU 47 HB1 GLU 47 5.229 3.025 -6.474
341 HG2 GLU 47 HG2 GLU 47 5.826 2.858 -8.849
342 HG3 GLU 47 HG1 GLU 47 4.391 1.936 -8.418
343 H THR 48 HN THR 48 3.507 2.424 -4.661
344 HA THR 48 HA THR 48 2.111 0.100 -5.382
345 HB THR 48 HB THR 48 2.534 1.407 -2.685
346 HG1 THR 48 HG1 THR 48 4.477 0.767 -3.693
347 HG21 THR 48 HG21 THR 48 1.632 -1.413 -3.303
348 HG22 THR 48 HG22 THR 48 0.649 -0.152 -2.556
349 HG23 THR 48 HG23 THR 48 2.050 -0.802 -1.704
350 H ALA 49 HN ALA 49 1.084 2.828 -3.350
351 HA ALA 49 HA ALA 49 -1.562 2.122 -3.002
352 HB1 ALA 49 HB1 ALA 49 -0.387 4.899 -3.071
353 HB2 ALA 49 HB2 ALA 49 -0.410 3.826 -1.673
354 HB3 ALA 49 HB3 ALA 49 -1.924 4.440 -2.340
355 H ALA 50 HN ALA 50 -0.087 4.160 -5.485
356 HA ALA 50 HA ALA 50 -2.370 5.138 -6.710
357 HB1 ALA 50 HB1 ALA 50 0.267 4.529 -8.030
358 HB2 ALA 50 HB2 ALA 50 -0.109 5.986 -7.111
359 HB3 ALA 50 HB3 ALA 50 -0.967 5.645 -8.617
360 H ARG 51 HN ARG 51 -0.716 2.110 -7.244
361 HA ARG 51 HA ARG 51 -2.126 1.289 -9.552
362 HB2 ARG 51 HB2 ARG 51 -0.018 0.248 -8.669
363 HB3 ARG 51 HB1 ARG 51 -0.962 -0.444 -7.359
364 HG2 ARG 51 HG2 ARG 51 -2.239 -1.754 -8.954
365 HG3 ARG 51 HG1 ARG 51 -1.341 -1.028 -10.287
366 HD2 ARG 51 HD2 ARG 51 -0.192 -2.742 -8.085
367 HD3 ARG 51 HD1 ARG 51 -0.458 -3.234 -9.756
368 HE ARG 51 HE ARG 51 1.334 -0.964 -9.239
369 HH11 ARG 51 HH11 ARG 51 0.943 -4.281 -10.356
370 HH12 ARG 51 HH12 ARG 51 2.534 -4.437 -10.941
371 HH21 ARG 51 HH21 ARG 51 3.529 -1.162 -9.984
372 HH22 ARG 51 HH22 ARG 51 4.050 -2.606 -10.707
373 H LEU 52 HN LEU 52 -2.593 0.668 -6.118
374 HA LEU 52 HA LEU 52 -4.967 -0.851 -6.321
375 HB2 LEU 52 HB2 LEU 52 -3.902 0.794 -4.032
376 HB3 LEU 52 HB1 LEU 52 -5.210 -0.363 -3.911
377 HG LEU 52 HG LEU 52 -2.359 -1.055 -4.635
378 HD11 LEU 52 HD11 LEU 52 -3.875 -1.436 -2.062
379 HD12 LEU 52 HD12 LEU 52 -2.543 -0.312 -2.324
380 HD13 LEU 52 HD13 LEU 52 -2.260 -2.053 -2.406
381 HD21 LEU 52 HD21 LEU 52 -3.099 -3.371 -4.305
382 HD22 LEU 52 HD22 LEU 52 -3.993 -2.590 -5.607
383 HD23 LEU 52 HD23 LEU 52 -4.744 -2.805 -4.025
384 H GLU 53 HN GLU 53 -4.344 2.586 -5.809
385 HA GLU 53 HA GLU 53 -6.975 3.459 -5.350
386 HB2 GLU 53 HB2 GLU 53 -4.912 5.093 -6.858
387 HB3 GLU 53 HB1 GLU 53 -6.363 5.565 -5.974
388 HG2 GLU 53 HG2 GLU 53 -5.396 5.146 -3.902
389 HG3 GLU 53 HG1 GLU 53 -3.958 4.422 -4.645
390 H SER 54 HN SER 54 -5.143 3.387 -8.362
391 HA SER 54 HA SER 54 -7.217 4.347 -9.949
392 HB2 SER 54 HB2 SER 54 -4.836 2.668 -10.711
393 HB3 SER 54 HB1 SER 54 -5.838 3.609 -11.822
394 HG SER 54 HG SER 54 -3.923 4.434 -10.007
395 H ARG 55 HN ARG 55 -6.126 0.998 -9.371
396 HA ARG 55 HA ARG 55 -7.998 -0.122 -11.133
397 HB2 ARG 55 HB2 ARG 55 -6.018 -1.346 -10.564
398 HB3 ARG 55 HB1 ARG 55 -6.458 -1.359 -8.861
399 HG2 ARG 55 HG2 ARG 55 -8.376 -2.762 -9.347
400 HG3 ARG 55 HG1 ARG 55 -7.983 -2.720 -11.066
401 HD2 ARG 55 HD2 ARG 55 -5.942 -3.892 -10.686
402 HD3 ARG 55 HD1 ARG 55 -6.144 -3.770 -8.936
403 HE ARG 55 HE ARG 55 -8.353 -5.051 -9.600
404 HH11 ARG 55 HH11 ARG 55 -5.111 -5.600 -10.825
405 HH12 ARG 55 HH12 ARG 55 -5.226 -7.291 -10.869
406 HH21 ARG 55 HH21 ARG 55 -8.571 -7.377 -9.587
407 HH22 ARG 55 HH22 ARG 55 -7.308 -8.338 -10.193
408 H TYR 56 HN TYR 56 -8.166 0.387 -7.604
409 HA TYR 56 HA TYR 56 -10.793 -0.859 -7.679
410 HB2 TYR 56 HB2 TYR 56 -8.966 -0.257 -5.372
411 HB3 TYR 56 HB1 TYR 56 -10.620 -0.843 -5.173
412 HD1 TYR 56 HD1 TYR 56 -11.252 -3.044 -6.109
413 HD2 TYR 56 HD2 TYR 56 -7.201 -1.755 -5.978
414 HE1 TYR 56 HE1 TYR 56 -10.521 -5.353 -6.442
415 HE2 TYR 56 HE2 TYR 56 -6.452 -4.082 -6.311
416 HH TYR 56 HH TYR 56 -7.452 -6.413 -5.859
417 H GLY 57 HN GLY 57 -9.737 2.139 -8.065
418 HA2 GLY 57 HA2 GLY 57 -10.977 4.057 -8.285
419 HA3 GLY 57 HA1 GLY 57 -12.379 3.151 -7.751
420 H VAL 58 HN VAL 58 -9.352 3.783 -6.034
421 HA VAL 58 HA VAL 58 -10.970 5.291 -4.132
422 HB VAL 58 HB VAL 58 -9.661 4.520 -2.204
423 HG11 VAL 58 HG11 VAL 58 -11.668 3.307 -2.785
424 HG12 VAL 58 HG12 VAL 58 -10.440 2.219 -2.107
425 HG13 VAL 58 HG13 VAL 58 -10.713 2.266 -3.849
426 HG21 VAL 58 HG21 VAL 58 -8.305 2.621 -4.103
427 HG22 VAL 58 HG22 VAL 58 -8.099 2.683 -2.352
428 HG23 VAL 58 HG23 VAL 58 -7.541 4.032 -3.342
429 H SER 59 HN SER 59 -9.377 6.552 -2.543
430 HA SER 59 HA SER 59 -7.325 7.782 -4.223
431 HB2 SER 59 HB2 SER 59 -9.376 9.249 -2.566
432 HB3 SER 59 HB1 SER 59 -8.098 9.979 -3.538
433 HG SER 59 HG SER 59 -9.030 9.064 -5.353
434 H ILE 60 HN ILE 60 -5.471 7.804 -3.185
435 HA ILE 60 HA ILE 60 -5.427 8.076 -0.264
436 HB ILE 60 HB ILE 60 -3.310 6.877 -2.098
437 HG12 ILE 60 HG12 ILE 60 -5.188 5.335 -1.928
438 HG13 ILE 60 HG11 ILE 60 -3.821 4.709 -1.016
439 HG21 ILE 60 HG21 ILE 60 -2.318 7.956 -0.167
440 HG22 ILE 60 HG22 ILE 60 -2.156 6.204 -0.033
441 HG23 ILE 60 HG23 ILE 60 -3.379 7.049 0.913
442 HD11 ILE 60 HD11 ILE 60 -6.228 6.101 0.133
443 HD12 ILE 60 HD12 ILE 60 -4.861 5.477 1.054
444 HD13 ILE 60 HD13 ILE 60 -5.910 4.365 0.170
445 HA PRO 61 HA PRO 61 -4.065 12.142 -1.732
446 HB2 PRO 61 HB2 PRO 61 -3.607 12.444 1.199
447 HB3 PRO 61 HB1 PRO 61 -4.466 13.506 0.077
448 HG2 PRO 61 HG2 PRO 61 -5.815 11.976 1.784
449 HG3 PRO 61 HG1 PRO 61 -6.396 12.217 0.122
450 HD2 PRO 61 HD2 PRO 61 -5.001 9.865 1.325
451 HD3 PRO 61 HD1 PRO 61 -6.331 9.905 0.147
452 H ASP 62 HN ASP 62 -2.152 12.695 -2.356
453 HA ASP 62 HA ASP 62 0.187 11.311 -2.294
454 HB2 ASP 62 HB2 ASP 62 -0.126 13.126 -3.821
455 HB3 ASP 62 HB1 ASP 62 -0.195 14.292 -2.507
456 H ASP 63 HN ASP 63 -0.580 13.957 -0.093
457 HA ASP 63 HA ASP 63 1.799 14.038 1.405
458 HB2 ASP 63 HB2 ASP 63 -1.035 14.714 2.185
459 HB3 ASP 63 HB1 ASP 63 0.315 14.912 3.288
460 H VAL 64 HN VAL 64 -1.042 12.068 1.755
461 HA VAL 64 HA VAL 64 -0.187 10.925 4.261
462 HB VAL 64 HB VAL 64 -2.477 10.088 2.496
463 HG11 VAL 64 HG11 VAL 64 -3.444 9.191 4.592
464 HG12 VAL 64 HG12 VAL 64 -1.978 9.670 5.452
465 HG13 VAL 64 HG13 VAL 64 -1.901 8.438 4.192
466 HG21 VAL 64 HG21 VAL 64 -2.488 12.098 4.751
467 HG22 VAL 64 HG22 VAL 64 -3.923 11.497 3.919
468 HG23 VAL 64 HG23 VAL 64 -2.724 12.443 3.037
469 H ALA 65 HN ALA 65 -0.223 10.119 0.865
470 HA ALA 65 HA ALA 65 0.350 7.372 1.042
471 HB1 ALA 65 HB1 ALA 65 1.073 7.562 -1.290
472 HB2 ALA 65 HB2 ALA 65 1.091 9.321 -1.144
473 HB3 ALA 65 HB3 ALA 65 -0.433 8.439 -1.020
474 H GLY 66 HN GLY 66 2.334 10.206 1.246
475 HA2 GLY 66 HA2 GLY 66 4.736 8.538 1.531
476 HA3 GLY 66 HA1 GLY 66 4.721 10.289 1.323
477 H ARG 67 HN ARG 67 2.503 8.777 3.479
478 HA ARG 67 HA ARG 67 4.108 9.543 5.815
479 HB2 ARG 67 HB2 ARG 67 2.522 11.372 5.262
480 HB3 ARG 67 HB1 ARG 67 1.201 10.227 5.314
481 HG2 ARG 67 HG2 ARG 67 1.606 9.908 7.725
482 HG3 ARG 67 HG1 ARG 67 2.890 11.116 7.643
483 HD2 ARG 67 HD2 ARG 67 1.328 12.825 7.014
484 HD3 ARG 67 HD1 ARG 67 0.036 11.640 6.832
485 HE ARG 67 HE ARG 67 1.096 11.586 9.461
486 HH11 ARG 67 HH11 ARG 67 -0.909 13.794 7.470
487 HH12 ARG 67 HH12 ARG 67 -1.902 14.185 8.802
488 HH21 ARG 67 HH21 ARG 67 -0.247 12.240 11.182
489 HH22 ARG 67 HH22 ARG 67 -1.555 13.340 10.879
490 H VAL 68 HN VAL 68 2.741 7.054 4.261
491 HA VAL 68 HA VAL 68 1.587 5.808 6.635
492 HB VAL 68 HB VAL 68 0.852 3.954 5.046
493 HG11 VAL 68 HG11 VAL 68 -0.145 6.728 4.484
494 HG12 VAL 68 HG12 VAL 68 -0.670 5.666 5.788
495 HG13 VAL 68 HG13 VAL 68 -1.001 5.234 4.112
496 HG21 VAL 68 HG21 VAL 68 2.392 4.326 3.178
497 HG22 VAL 68 HG22 VAL 68 1.718 5.931 2.915
498 HG23 VAL 68 HG23 VAL 68 0.729 4.500 2.625
499 H ASP 69 HN ASP 69 3.368 5.181 7.853
500 HA ASP 69 HA ASP 69 5.662 4.026 6.528
501 HB2 ASP 69 HB2 ASP 69 5.895 5.479 8.576
502 HB3 ASP 69 HB1 ASP 69 5.161 4.194 9.506
503 H THR 70 HN THR 70 2.813 2.822 7.986
504 HA THR 70 HA THR 70 3.964 0.139 7.695
505 HB THR 70 HB THR 70 2.313 -0.648 9.393
506 HG1 THR 70 HG1 THR 70 1.735 2.146 9.540
507 HG21 THR 70 HG21 THR 70 4.099 1.612 10.268
508 HG22 THR 70 HG22 THR 70 4.550 -0.095 10.120
509 HG23 THR 70 HG23 THR 70 3.389 0.411 11.350
510 HA PRO 71 HA PRO 71 1.026 -0.716 4.444
511 HB2 PRO 71 HB2 PRO 71 0.837 -3.434 5.654
512 HB3 PRO 71 HB1 PRO 71 1.256 -2.968 3.999
513 HG2 PRO 71 HG2 PRO 71 3.131 -3.820 5.662
514 HG3 PRO 71 HG1 PRO 71 3.449 -2.463 4.560
515 HD2 PRO 71 HD2 PRO 71 2.838 -2.428 7.484
516 HD3 PRO 71 HD1 PRO 71 4.020 -1.471 6.569
517 H ARG 72 HN ARG 72 0.412 -1.620 7.720
518 HA ARG 72 HA ARG 72 -2.269 -2.203 7.902
519 HB2 ARG 72 HB2 ARG 72 -0.577 -2.149 9.747
520 HB3 ARG 72 HB1 ARG 72 -0.682 -0.397 9.734
521 HG2 ARG 72 HG2 ARG 72 -2.042 -1.002 11.497
522 HG3 ARG 72 HG1 ARG 72 -3.186 -0.760 10.179
523 HD2 ARG 72 HD2 ARG 72 -3.811 -2.770 11.269
524 HD3 ARG 72 HD1 ARG 72 -3.046 -3.234 9.747
525 HE ARG 72 HE ARG 72 -1.044 -3.202 11.664
526 HH11 ARG 72 HH11 ARG 72 -4.006 -5.126 11.016
527 HH12 ARG 72 HH12 ARG 72 -3.424 -6.424 11.962
528 HH21 ARG 72 HH21 ARG 72 -0.387 -5.024 12.948
529 HH22 ARG 72 HH22 ARG 72 -1.423 -6.389 13.026
530 H GLU 73 HN GLU 73 -0.655 0.942 7.871
531 HA GLU 73 HA GLU 73 -2.913 2.585 8.186
532 HB2 GLU 73 HB2 GLU 73 -0.192 3.131 7.035
533 HB3 GLU 73 HB1 GLU 73 -1.374 4.376 7.388
534 HG2 GLU 73 HG2 GLU 73 -1.286 3.875 9.720
535 HG3 GLU 73 HG1 GLU 73 -0.249 2.479 9.417
536 H LEU 74 HN LEU 74 -1.101 1.596 5.296
537 HA LEU 74 HA LEU 74 -2.538 3.170 3.420
538 HB2 LEU 74 HB2 LEU 74 -0.300 1.640 3.229
539 HB3 LEU 74 HB1 LEU 74 -1.497 0.513 2.608
540 HG LEU 74 HG LEU 74 -0.967 3.220 1.388
541 HD11 LEU 74 HD11 LEU 74 0.195 1.984 -0.374
542 HD12 LEU 74 HD12 LEU 74 0.011 0.499 0.559
543 HD13 LEU 74 HD13 LEU 74 0.990 1.822 1.190
544 HD21 LEU 74 HD21 LEU 74 -2.209 2.323 -0.527
545 HD22 LEU 74 HD22 LEU 74 -3.217 2.342 0.921
546 HD23 LEU 74 HD23 LEU 74 -2.506 0.827 0.359
547 H LEU 75 HN LEU 75 -2.929 -0.140 4.579
548 HA LEU 75 HA LEU 75 -5.131 -0.815 2.974
549 HB2 LEU 75 HB2 LEU 75 -3.749 -2.491 4.084
550 HB3 LEU 75 HB1 LEU 75 -4.240 -1.888 5.651
551 HG LEU 75 HG LEU 75 -6.533 -2.652 5.245
552 HD11 LEU 75 HD11 LEU 75 -7.068 -4.033 3.312
553 HD12 LEU 75 HD12 LEU 75 -5.462 -3.748 2.645
554 HD13 LEU 75 HD13 LEU 75 -6.600 -2.410 2.825
555 HD21 LEU 75 HD21 LEU 75 -6.092 -5.056 5.340
556 HD22 LEU 75 HD22 LEU 75 -4.942 -4.156 6.332
557 HD23 LEU 75 HD23 LEU 75 -4.448 -4.783 4.761
558 H ASP 76 HN ASP 76 -4.857 0.629 6.179
559 HA ASP 76 HA ASP 76 -7.609 0.612 6.843
560 HB2 ASP 76 HB2 ASP 76 -5.930 0.927 8.567
561 HB3 ASP 76 HB1 ASP 76 -5.361 2.403 7.796
562 H LEU 77 HN LEU 77 -5.554 2.936 5.245
563 HA LEU 77 HA LEU 77 -7.377 5.024 4.897
564 HB2 LEU 77 HB2 LEU 77 -5.144 4.066 3.134
565 HB3 LEU 77 HB1 LEU 77 -6.047 5.525 2.826
566 HG LEU 77 HG LEU 77 -4.240 5.011 5.206
567 HD11 LEU 77 HD11 LEU 77 -3.072 5.310 3.108
568 HD12 LEU 77 HD12 LEU 77 -2.858 6.698 4.170
569 HD13 LEU 77 HD13 LEU 77 -3.972 6.795 2.808
570 HD21 LEU 77 HD21 LEU 77 -4.664 7.349 5.757
571 HD22 LEU 77 HD22 LEU 77 -6.171 6.436 5.789
572 HD23 LEU 77 HD23 LEU 77 -5.800 7.479 4.415
573 H ILE 78 HN ILE 78 -6.648 2.266 2.787
574 HA ILE 78 HA ILE 78 -8.702 2.981 0.979
575 HB ILE 78 HB ILE 78 -7.060 0.455 1.189
576 HG12 ILE 78 HG12 ILE 78 -7.052 2.851 -0.645
577 HG13 ILE 78 HG11 ILE 78 -5.797 2.351 0.477
578 HG21 ILE 78 HG21 ILE 78 -7.970 -0.212 -1.010
579 HG22 ILE 78 HG22 ILE 78 -9.078 1.160 -0.963
580 HG23 ILE 78 HG23 ILE 78 -9.240 -0.142 0.213
581 HD11 ILE 78 HD11 ILE 78 -6.651 0.795 -1.917
582 HD12 ILE 78 HD12 ILE 78 -5.190 0.518 -0.926
583 HD13 ILE 78 HD13 ILE 78 -5.348 1.973 -1.949
584 H ASN 79 HN ASN 79 -8.602 0.934 3.760
585 HA ASN 79 HA ASN 79 -11.088 -0.327 3.566
586 HB2 ASN 79 HB2 ASN 79 -9.497 0.644 5.905
587 HB3 ASN 79 HB1 ASN 79 -11.170 0.205 6.187
588 HD21 ASN 79 HD21 ASN 79 -8.965 -1.434 3.919
589 HD22 ASN 79 HD22 ASN 79 -8.965 -2.926 4.801
590 H GLY 80 HN GLY 80 -10.348 2.915 4.776
591 HA2 GLY 80 HA2 GLY 80 -13.067 3.611 5.237
592 HA3 GLY 80 HA1 GLY 80 -11.708 4.726 5.164
593 H ALA 81 HN ALA 81 -10.870 4.040 2.539
594 HA ALA 81 HA ALA 81 -12.487 5.855 1.097
595 HB1 ALA 81 HB1 ALA 81 -10.081 5.636 0.712
596 HB2 ALA 81 HB2 ALA 81 -10.997 5.415 -0.778
597 HB3 ALA 81 HB3 ALA 81 -10.332 4.013 0.066
598 H LEU 82 HN LEU 82 -12.100 2.355 0.952
599 HA LEU 82 HA LEU 82 -13.915 1.954 -1.174
600 HB2 LEU 82 HB2 LEU 82 -12.749 0.162 0.918
601 HB3 LEU 82 HB1 LEU 82 -13.989 -0.426 -0.152
602 HG LEU 82 HG LEU 82 -11.232 0.576 -1.041
603 HD11 LEU 82 HD11 LEU 82 -11.149 -1.533 0.157
604 HD12 LEU 82 HD12 LEU 82 -10.814 -1.739 -1.563
605 HD13 LEU 82 HD13 LEU 82 -12.388 -2.193 -0.910
606 HD21 LEU 82 HD21 LEU 82 -11.893 -0.263 -3.224
607 HD22 LEU 82 HD22 LEU 82 -13.019 0.986 -2.700
608 HD23 LEU 82 HD23 LEU 82 -13.479 -0.715 -2.599
609 H ALA 83 HN ALA 83 -14.324 2.287 2.274
610 HA ALA 83 HA ALA 83 -16.959 1.248 2.336
611 HB1 ALA 83 HB1 ALA 83 -15.587 3.097 4.291
612 HB2 ALA 83 HB2 ALA 83 -15.562 1.335 4.339
613 HB3 ALA 83 HB3 ALA 83 -17.077 2.203 4.584
614 H GLU 84 HN GLU 84 -15.566 4.452 1.862
615 HA GLU 84 HA GLU 84 -18.080 5.814 1.980
616 HB2 GLU 84 HB2 GLU 84 -15.460 6.812 0.872
617 HB3 GLU 84 HB1 GLU 84 -16.885 7.794 1.167
618 HG2 GLU 84 HG2 GLU 84 -16.691 7.044 3.585
619 HG3 GLU 84 HG1 GLU 84 -15.083 6.470 3.153
620 H ALA 85 HN ALA 85 -17.058 3.730 -0.212
621 HA ALA 85 HA ALA 85 -17.924 5.105 -2.590
622 HB1 ALA 85 HB1 ALA 85 -17.339 2.175 -2.143
623 HB2 ALA 85 HB2 ALA 85 -16.189 3.376 -2.732
624 HB3 ALA 85 HB3 ALA 85 -17.595 2.949 -3.708
625 H ALA 86 HN ALA 86 -19.451 3.836 0.027
626 HA ALA 86 HA ALA 86 -21.766 2.739 -1.295
627 HB1 ALA 86 HB1 ALA 86 -21.089 1.885 0.908
628 HB2 ALA 86 HB2 ALA 86 -22.704 2.586 0.974
629 HB3 ALA 86 HB3 ALA 86 -21.321 3.488 1.606
630 H28 SXM 87 H28A SXM 87 7.732 13.134 2.800
631 H28A SXM 87 H28B SXM 87 9.210 12.990 1.858
632 H30 SXM 87 H30A SXM 87 5.537 13.285 1.527
633 H30A SXM 87 H30B SXM 87 6.057 12.055 0.376
634 H30B SXM 87 H30C SXM 87 5.552 13.642 -0.200
635 H31 SXM 87 H31C SXM 87 7.032 15.662 0.281
636 H31A SXM 87 H31A SXM 87 8.511 15.428 1.217
637 H31B SXM 87 H31B SXM 87 6.935 15.239 1.989
638 H32 SXM 87 H32A SXM 87 8.232 12.370 -0.947
639 HO33 SXM 87 H33A SXM 87 10.200 12.985 -0.638
640 HN36 SXM 87 H36A SXM 87 9.493 14.854 -2.077
641 H37 SXM 87 H37B SXM 87 7.866 16.762 -3.225
642 H37A SXM 87 H37A SXM 87 7.629 15.339 -4.247
643 H38 SXM 87 H38A SXM 87 10.063 15.265 -4.697
644 H38A SXM 87 H38B SXM 87 9.241 16.675 -5.301
645 HN41 SXM 87 H41A SXM 87 9.308 17.547 -2.229
646 H42 SXM 87 H42A SXM 87 12.006 18.115 -1.622
647 H42A SXM 87 H42B SXM 87 11.227 19.503 -2.380
648 H43 SXM 87 H43A SXM 87 9.496 19.467 -0.654
649 H43A SXM 87 H43B SXM 87 11.105 19.599 0.076
650 H2 SXM 87 H2A SXM 87 10.771 15.818 2.313
651 H2A SXM 87 H2B SXM 87 12.335 16.396 2.852
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -19.388 -5.551 2.425
2 H2 MET 1 HT2 MET 1 -19.878 -4.705 3.781
3 H3 MET 1 HT3 MET 1 -18.219 -5.074 3.537
4 HA MET 1 HA MET 1 -19.906 -3.355 1.829
5 HB2 MET 1 HB2 MET 1 -17.718 -2.553 3.774
6 HB3 MET 1 HB1 MET 1 -18.496 -1.468 2.637
7 HG2 MET 1 HG2 MET 1 -19.426 -1.080 4.791
8 HG3 MET 1 HG1 MET 1 -20.648 -1.887 3.814
9 HE1 MET 1 HE1 MET 1 -22.067 -2.459 5.966
10 HE2 MET 1 HE2 MET 1 -20.873 -1.629 6.968
11 HE3 MET 1 HE3 MET 1 -21.409 -3.253 7.399
12 H ALA 2 HN ALA 2 -19.271 -4.276 -0.044
13 HA ALA 2 HA ALA 2 -18.012 -4.710 -1.862
14 HB1 ALA 2 HB1 ALA 2 -17.560 -2.289 -1.737
15 HB2 ALA 2 HB2 ALA 2 -16.166 -3.171 -2.365
16 HB3 ALA 2 HB3 ALA 2 -16.171 -2.606 -0.697
17 H THR 3 HN THR 3 -15.230 -4.867 -2.281
18 HA THR 3 HA THR 3 -14.499 -6.909 -0.334
19 HB THR 3 HB THR 3 -12.819 -7.529 -2.174
20 HG1 THR 3 HG1 THR 3 -12.826 -6.411 -3.911
21 HG21 THR 3 HG21 THR 3 -14.485 -8.820 -3.448
22 HG22 THR 3 HG22 THR 3 -15.770 -7.828 -2.755
23 HG23 THR 3 HG23 THR 3 -14.809 -8.877 -1.715
24 H LEU 4 HN LEU 4 -13.344 -5.903 1.228
25 HA LEU 4 HA LEU 4 -11.624 -3.694 0.709
26 HB2 LEU 4 HB2 LEU 4 -11.574 -5.610 3.052
27 HB3 LEU 4 HB1 LEU 4 -10.755 -4.065 2.975
28 HG LEU 4 HG LEU 4 -13.703 -4.527 3.016
29 HD11 LEU 4 HD11 LEU 4 -11.855 -3.380 5.101
30 HD12 LEU 4 HD12 LEU 4 -12.675 -4.940 5.168
31 HD13 LEU 4 HD13 LEU 4 -13.611 -3.449 5.230
32 HD21 LEU 4 HD21 LEU 4 -12.175 -1.931 2.975
33 HD22 LEU 4 HD22 LEU 4 -13.915 -2.080 3.224
34 HD23 LEU 4 HD23 LEU 4 -13.196 -2.566 1.686
35 H LEU 5 HN LEU 5 -9.392 -3.705 0.548
36 HA LEU 5 HA LEU 5 -8.405 -5.788 -1.035
37 HB2 LEU 5 HB2 LEU 5 -6.834 -3.567 0.336
38 HB3 LEU 5 HB1 LEU 5 -6.253 -4.616 -0.945
39 HG LEU 5 HG LEU 5 -8.401 -2.538 -1.092
40 HD11 LEU 5 HD11 LEU 5 -6.147 -1.675 -1.116
41 HD12 LEU 5 HD12 LEU 5 -6.893 -1.511 -2.707
42 HD13 LEU 5 HD13 LEU 5 -5.716 -2.789 -2.412
43 HD21 LEU 5 HD21 LEU 5 -9.074 -4.458 -2.404
44 HD22 LEU 5 HD22 LEU 5 -7.496 -4.492 -3.195
45 HD23 LEU 5 HD23 LEU 5 -8.585 -3.131 -3.457
46 H THR 6 HN THR 6 -7.579 -7.624 -0.536
47 HA THR 6 HA THR 6 -7.211 -8.250 2.229
48 HB THR 6 HB THR 6 -6.650 -10.541 1.402
49 HG1 THR 6 HG1 THR 6 -7.231 -9.362 -1.138
50 HG21 THR 6 HG21 THR 6 -9.201 -9.350 0.305
51 HG22 THR 6 HG22 THR 6 -8.957 -9.942 1.948
52 HG23 THR 6 HG23 THR 6 -8.911 -11.065 0.590
53 H THR 7 HN THR 7 -5.150 -9.888 2.439
54 HA THR 7 HA THR 7 -2.996 -8.156 2.549
55 HB THR 7 HB THR 7 -2.801 -11.161 2.616
56 HG1 THR 7 HG1 THR 7 -3.582 -10.945 4.818
57 HG21 THR 7 HG21 THR 7 -1.165 -10.616 4.389
58 HG22 THR 7 HG22 THR 7 -1.543 -8.898 4.179
59 HG23 THR 7 HG23 THR 7 -0.772 -9.782 2.882
60 H ASP 8 HN ASP 8 -3.950 -10.724 0.304
61 HA ASP 8 HA ASP 8 -1.534 -10.621 -1.206
62 HB2 ASP 8 HB2 ASP 8 -4.211 -11.800 -1.974
63 HB3 ASP 8 HB1 ASP 8 -2.743 -11.961 -2.931
64 H ASP 9 HN ASP 9 -4.593 -8.949 -1.480
65 HA ASP 9 HA ASP 9 -4.188 -7.889 -4.101
66 HB2 ASP 9 HB2 ASP 9 -5.749 -6.610 -1.820
67 HB3 ASP 9 HB1 ASP 9 -5.798 -6.089 -3.491
68 H LEU 10 HN LEU 10 -3.621 -6.602 -0.902
69 HA LEU 10 HA LEU 10 -2.328 -4.220 -1.590
70 HB2 LEU 10 HB2 LEU 10 -3.177 -4.513 0.602
71 HB3 LEU 10 HB1 LEU 10 -2.287 -5.998 0.831
72 HG LEU 10 HG LEU 10 -0.195 -4.735 0.998
73 HD11 LEU 10 HD11 LEU 10 -1.938 -2.305 0.721
74 HD12 LEU 10 HD12 LEU 10 -0.730 -2.893 -0.442
75 HD13 LEU 10 HD13 LEU 10 -0.220 -2.323 1.152
76 HD21 LEU 10 HD21 LEU 10 -2.381 -3.714 2.795
77 HD22 LEU 10 HD22 LEU 10 -0.650 -3.649 3.133
78 HD23 LEU 10 HD23 LEU 10 -1.465 -5.207 3.001
79 H ARG 11 HN ARG 11 -1.014 -7.371 -0.679
80 HA ARG 11 HA ARG 11 1.652 -6.695 -0.745
81 HB2 ARG 11 HB2 ARG 11 0.962 -8.635 0.383
82 HB3 ARG 11 HB1 ARG 11 0.306 -9.341 -1.084
83 HG2 ARG 11 HG2 ARG 11 2.437 -9.789 -1.937
84 HG3 ARG 11 HG1 ARG 11 3.197 -8.709 -0.756
85 HD2 ARG 11 HD2 ARG 11 3.431 -11.151 -0.258
86 HD3 ARG 11 HD1 ARG 11 2.731 -10.174 1.027
87 HE ARG 11 HE ARG 11 0.980 -11.638 -0.801
88 HH11 ARG 11 HH11 ARG 11 2.443 -11.346 2.417
89 HH12 ARG 11 HH12 ARG 11 1.240 -12.261 3.222
90 HH21 ARG 11 HH21 ARG 11 -0.693 -12.957 0.332
91 HH22 ARG 11 HH22 ARG 11 -0.535 -13.185 2.019
92 H ARG 12 HN ARG 12 -0.203 -8.176 -3.426
93 HA ARG 12 HA ARG 12 2.140 -8.330 -5.003
94 HB2 ARG 12 HB2 ARG 12 -0.743 -8.407 -5.850
95 HB3 ARG 12 HB1 ARG 12 0.596 -8.615 -6.968
96 HG2 ARG 12 HG2 ARG 12 -0.002 -10.370 -4.598
97 HG3 ARG 12 HG1 ARG 12 -0.350 -10.749 -6.283
98 HD2 ARG 12 HD2 ARG 12 2.097 -10.576 -6.754
99 HD3 ARG 12 HD1 ARG 12 2.371 -10.379 -5.022
100 HE ARG 12 HE ARG 12 0.822 -12.682 -5.536
101 HH11 ARG 12 HH11 ARG 12 4.262 -11.582 -5.535
102 HH12 ARG 12 HH12 ARG 12 4.844 -13.165 -5.534
103 HH21 ARG 12 HH21 ARG 12 1.765 -14.848 -5.566
104 HH22 ARG 12 HH22 ARG 12 3.473 -14.994 -5.524
105 H ALA 13 HN ALA 13 -0.185 -5.761 -4.601
106 HA ALA 13 HA ALA 13 0.796 -4.198 -6.765
107 HB1 ALA 13 HB1 ALA 13 -1.414 -3.829 -5.807
108 HB2 ALA 13 HB2 ALA 13 -0.442 -2.362 -5.741
109 HB3 ALA 13 HB3 ALA 13 -0.679 -3.332 -4.285
110 H LEU 14 HN LEU 14 1.518 -4.494 -3.368
111 HA LEU 14 HA LEU 14 3.360 -2.384 -3.072
112 HB2 LEU 14 HB2 LEU 14 2.258 -3.624 -1.232
113 HB3 LEU 14 HB1 LEU 14 3.205 -5.037 -1.638
114 HG LEU 14 HG LEU 14 5.258 -3.711 -1.085
115 HD11 LEU 14 HD11 LEU 14 4.321 -1.489 -1.357
116 HD12 LEU 14 HD12 LEU 14 4.985 -1.706 0.260
117 HD13 LEU 14 HD13 LEU 14 3.241 -1.765 0.008
118 HD21 LEU 14 HD21 LEU 14 3.208 -4.113 1.092
119 HD22 LEU 14 HD22 LEU 14 4.950 -3.929 1.335
120 HD23 LEU 14 HD23 LEU 14 4.329 -5.321 0.457
121 H VAL 15 HN VAL 15 3.677 -5.764 -3.906
122 HA VAL 15 HA VAL 15 6.458 -5.988 -4.160
123 HB VAL 15 HB VAL 15 4.197 -7.480 -5.537
124 HG11 VAL 15 HG11 VAL 15 6.180 -7.603 -6.976
125 HG12 VAL 15 HG12 VAL 15 5.843 -9.160 -6.224
126 HG13 VAL 15 HG13 VAL 15 7.146 -8.146 -5.605
127 HG21 VAL 15 HG21 VAL 15 4.838 -9.280 -4.004
128 HG22 VAL 15 HG22 VAL 15 4.387 -7.816 -3.134
129 HG23 VAL 15 HG23 VAL 15 6.089 -8.245 -3.316
130 H GLU 16 HN GLU 16 4.029 -5.396 -6.709
131 HA GLU 16 HA GLU 16 5.913 -5.207 -8.780
132 HB2 GLU 16 HB2 GLU 16 4.096 -4.425 -10.198
133 HB3 GLU 16 HB1 GLU 16 3.544 -5.744 -9.184
134 HG2 GLU 16 HG2 GLU 16 2.548 -4.040 -7.658
135 HG3 GLU 16 HG1 GLU 16 2.964 -2.818 -8.851
136 H SER 17 HN SER 17 4.744 -2.784 -6.568
137 HA SER 17 HA SER 17 5.885 -0.669 -8.209
138 HB2 SER 17 HB2 SER 17 4.325 -0.444 -5.649
139 HB3 SER 17 HB1 SER 17 4.660 0.834 -6.824
140 HG SER 17 HG SER 17 2.887 -1.285 -6.907
141 H ALA 18 HN ALA 18 7.010 -2.705 -5.856
142 HA ALA 18 HA ALA 18 8.384 -0.910 -4.122
143 HB1 ALA 18 HB1 ALA 18 7.900 -3.221 -3.501
144 HB2 ALA 18 HB2 ALA 18 9.621 -2.858 -3.371
145 HB3 ALA 18 HB3 ALA 18 9.016 -3.790 -4.741
146 H GLY 19 HN GLY 19 9.159 -2.467 -7.086
147 HA2 GLY 19 HA2 GLY 19 11.327 -0.708 -7.581
148 HA3 GLY 19 HA1 GLY 19 11.873 -2.342 -7.206
149 H GLU 20 HN GLU 20 12.040 -3.674 -8.821
150 HA GLU 20 HA GLU 20 10.247 -3.436 -11.088
151 HB2 GLU 20 HB2 GLU 20 12.159 -1.910 -11.467
152 HB3 GLU 20 HB1 GLU 20 13.220 -3.301 -11.281
153 HG2 GLU 20 HG2 GLU 20 12.383 -4.284 -13.287
154 HG3 GLU 20 HG1 GLU 20 11.112 -3.063 -13.407
155 H THR 21 HN THR 21 9.827 -5.383 -11.924
156 HA THR 21 HA THR 21 9.583 -7.578 -12.057
157 HB THR 21 HB THR 21 11.676 -8.960 -12.521
158 HG1 THR 21 HG1 THR 21 12.859 -6.977 -11.312
159 HG21 THR 21 HG21 THR 21 11.353 -6.382 -14.046
160 HG22 THR 21 HG22 THR 21 10.431 -7.861 -14.308
161 HG23 THR 21 HG23 THR 21 12.166 -7.827 -14.645
162 H ASP 22 HN ASP 22 8.600 -7.635 -10.113
163 HA ASP 22 HA ASP 22 8.288 -7.793 -7.968
164 HB2 ASP 22 HB2 ASP 22 8.742 -10.059 -6.923
165 HB3 ASP 22 HB1 ASP 22 7.834 -10.074 -8.417
166 H GLY 23 HN GLY 23 9.325 -6.048 -7.487
167 HA2 GLY 23 HA2 GLY 23 11.936 -5.800 -6.596
168 HA3 GLY 23 HA1 GLY 23 10.602 -4.785 -6.080
169 H THR 24 HN THR 24 9.039 -6.684 -4.752
170 HA THR 24 HA THR 24 10.788 -7.652 -2.643
171 HB THR 24 HB THR 24 8.938 -6.919 -1.029
172 HG1 THR 24 HG1 THR 24 8.233 -4.793 -2.562
173 HG21 THR 24 HG21 THR 24 11.133 -5.797 -1.094
174 HG22 THR 24 HG22 THR 24 9.834 -4.649 -0.776
175 HG23 THR 24 HG23 THR 24 10.554 -4.740 -2.387
176 H ASP 25 HN ASP 25 9.029 -8.807 -1.009
177 HA ASP 25 HA ASP 25 7.133 -10.362 -2.603
178 HB2 ASP 25 HB2 ASP 25 9.321 -11.585 -0.912
179 HB3 ASP 25 HB1 ASP 25 7.869 -12.471 -1.343
180 H LEU 26 HN LEU 26 8.348 -9.805 0.665
181 HA LEU 26 HA LEU 26 7.400 -9.642 2.647
182 HB2 LEU 26 HB2 LEU 26 4.998 -8.643 1.096
183 HB3 LEU 26 HB1 LEU 26 5.113 -8.601 2.838
184 HG LEU 26 HG LEU 26 5.548 -6.431 2.110
185 HD11 LEU 26 HD11 LEU 26 7.852 -5.962 2.733
186 HD12 LEU 26 HD12 LEU 26 8.206 -7.689 2.656
187 HD13 LEU 26 HD13 LEU 26 7.046 -7.077 3.839
188 HD21 LEU 26 HD21 LEU 26 7.207 -5.821 0.408
189 HD22 LEU 26 HD22 LEU 26 5.930 -6.847 -0.245
190 HD23 LEU 26 HD23 LEU 26 7.513 -7.532 0.112
191 H SER 27 HN SER 27 7.634 -11.907 2.709
192 HA SER 27 HA SER 27 5.367 -13.582 2.238
193 HB2 SER 27 HB2 SER 27 7.986 -14.212 3.584
194 HB3 SER 27 HB1 SER 27 6.858 -15.352 2.851
195 HG SER 27 HG SER 27 7.329 -14.463 0.818
196 H GLY 28 HN GLY 28 3.807 -13.860 3.654
197 HA2 GLY 28 HA2 GLY 28 2.965 -14.624 5.705
198 HA3 GLY 28 HA1 GLY 28 4.463 -14.135 6.478
199 H ASP 29 HN ASP 29 4.388 -12.417 7.705
200 HA ASP 29 HA ASP 29 2.003 -10.703 7.565
201 HB2 ASP 29 HB2 ASP 29 3.755 -11.400 9.938
202 HB3 ASP 29 HB1 ASP 29 2.439 -10.236 9.973
203 H PHE 30 HN PHE 30 2.413 -8.805 6.768
204 HA PHE 30 HA PHE 30 5.020 -7.592 7.340
205 HB2 PHE 30 HB2 PHE 30 5.117 -6.690 5.076
206 HB3 PHE 30 HB1 PHE 30 5.044 -8.445 5.054
207 HD1 PHE 30 HD2 PHE 30 3.003 -9.588 4.285
208 HD2 PHE 30 HD1 PHE 30 3.364 -5.350 4.137
209 HE1 PHE 30 HE2 PHE 30 1.097 -9.484 2.745
210 HE2 PHE 30 HE1 PHE 30 1.457 -5.247 2.604
211 HZ PHE 30 HZ PHE 30 0.354 -7.288 1.864
212 H LEU 31 HN LEU 31 1.946 -7.289 8.103
213 HA LEU 31 HA LEU 31 1.367 -4.645 7.152
214 HB2 LEU 31 HB2 LEU 31 -0.038 -6.428 9.141
215 HB3 LEU 31 HB1 LEU 31 -0.597 -4.824 8.739
216 HG LEU 31 HG LEU 31 -1.935 -6.394 7.584
217 HD11 LEU 31 HD11 LEU 31 -1.610 -5.775 5.252
218 HD12 LEU 31 HD12 LEU 31 -0.023 -5.127 5.661
219 HD13 LEU 31 HD13 LEU 31 -1.476 -4.408 6.358
220 HD21 LEU 31 HD21 LEU 31 -1.063 -8.027 5.959
221 HD22 LEU 31 HD22 LEU 31 -0.477 -8.348 7.591
222 HD23 LEU 31 HD23 LEU 31 0.582 -7.583 6.408
223 H ASP 32 HN ASP 32 2.664 -6.118 9.983
224 HA ASP 32 HA ASP 32 2.689 -3.623 11.460
225 HB2 ASP 32 HB2 ASP 32 3.678 -4.929 13.299
226 HB3 ASP 32 HB1 ASP 32 2.199 -5.667 12.711
227 H LEU 33 HN LEU 33 4.483 -4.750 9.032
228 HA LEU 33 HA LEU 33 7.097 -4.107 10.105
229 HB2 LEU 33 HB2 LEU 33 6.234 -4.832 7.306
230 HB3 LEU 33 HB1 LEU 33 7.889 -4.522 7.785
231 HG LEU 33 HG LEU 33 6.159 -6.787 8.753
232 HD11 LEU 33 HD11 LEU 33 7.745 -8.182 7.517
233 HD12 LEU 33 HD12 LEU 33 8.580 -6.735 6.952
234 HD13 LEU 33 HD13 LEU 33 6.919 -7.051 6.446
235 HD21 LEU 33 HD21 LEU 33 8.187 -7.578 9.856
236 HD22 LEU 33 HD22 LEU 33 7.670 -6.015 10.489
237 HD23 LEU 33 HD23 LEU 33 9.026 -6.108 9.366
238 H ARG 34 HN ARG 34 8.200 -2.289 9.678
239 HA ARG 34 HA ARG 34 6.595 -0.053 8.766
240 HB2 ARG 34 HB2 ARG 34 9.432 -0.139 9.785
241 HB3 ARG 34 HB1 ARG 34 8.502 1.313 9.467
242 HG2 ARG 34 HG2 ARG 34 6.897 0.587 11.233
243 HG3 ARG 34 HG1 ARG 34 8.000 -0.743 11.610
244 HD2 ARG 34 HD2 ARG 34 8.363 1.186 13.083
245 HD3 ARG 34 HD1 ARG 34 9.781 0.852 12.085
246 HE ARG 34 HE ARG 34 7.867 2.767 11.056
247 HH11 ARG 34 HH11 ARG 34 10.958 2.404 12.849
248 HH12 ARG 34 HH12 ARG 34 11.515 3.946 12.386
249 HH21 ARG 34 HH21 ARG 34 8.680 4.759 10.432
250 HH22 ARG 34 HH22 ARG 34 10.216 5.353 10.933
251 H PHE 35 HN PHE 35 6.991 1.114 6.903
252 HA PHE 35 HA PHE 35 8.414 -0.153 4.817
253 HB2 PHE 35 HB2 PHE 35 7.267 2.629 5.040
254 HB3 PHE 35 HB1 PHE 35 8.129 2.086 3.605
255 HD1 PHE 35 HD2 PHE 35 7.227 -0.385 2.809
256 HD2 PHE 35 HD1 PHE 35 5.016 2.568 4.913
257 HE1 PHE 35 HE2 PHE 35 5.144 -1.365 1.991
258 HE2 PHE 35 HE1 PHE 35 2.927 1.586 4.103
259 HZ PHE 35 HZ PHE 35 3.040 -0.389 2.501
260 H GLU 36 HN GLU 36 9.284 2.131 7.189
261 HA GLU 36 HA GLU 36 11.707 3.089 6.124
262 HB2 GLU 36 HB2 GLU 36 10.528 4.029 8.099
263 HB3 GLU 36 HB1 GLU 36 10.970 2.599 9.015
264 HG2 GLU 36 HG2 GLU 36 12.436 4.400 9.591
265 HG3 GLU 36 HG1 GLU 36 13.346 3.179 8.707
266 H ASP 37 HN ASP 37 10.814 0.132 7.753
267 HA ASP 37 HA ASP 37 13.464 -0.753 8.371
268 HB2 ASP 37 HB2 ASP 37 11.585 -1.548 9.694
269 HB3 ASP 37 HB1 ASP 37 10.851 -2.266 8.267
270 H ILE 38 HN ILE 38 11.170 -1.328 5.767
271 HA ILE 38 HA ILE 38 13.024 -3.209 4.583
272 HB ILE 38 HB ILE 38 11.231 -3.594 2.845
273 HG12 ILE 38 HG12 ILE 38 9.589 -1.859 4.719
274 HG13 ILE 38 HG11 ILE 38 10.055 -1.461 3.068
275 HG21 ILE 38 HG21 ILE 38 11.535 -5.089 4.727
276 HG22 ILE 38 HG22 ILE 38 9.815 -4.921 4.367
277 HG23 ILE 38 HG23 ILE 38 10.524 -4.056 5.736
278 HD11 ILE 38 HD11 ILE 38 8.235 -3.721 3.887
279 HD12 ILE 38 HD12 ILE 38 8.692 -3.315 2.236
280 HD13 ILE 38 HD13 ILE 38 7.732 -2.183 3.187
281 H GLY 39 HN GLY 39 13.411 -0.282 4.720
282 HA2 GLY 39 HA2 GLY 39 14.404 1.374 3.455
283 HA3 GLY 39 HA1 GLY 39 14.963 0.057 2.433
284 H TYR 40 HN TYR 40 11.745 1.326 3.094
285 HA TYR 40 HA TYR 40 11.234 1.118 0.254
286 HB2 TYR 40 HB2 TYR 40 9.753 0.370 2.389
287 HB3 TYR 40 HB1 TYR 40 9.106 1.975 2.063
288 HD1 TYR 40 HD1 TYR 40 9.731 -1.303 0.607
289 HD2 TYR 40 HD2 TYR 40 7.699 2.391 0.251
290 HE1 TYR 40 HE1 TYR 40 8.408 -2.238 -1.231
291 HE2 TYR 40 HE2 TYR 40 6.355 1.495 -1.590
292 HH TYR 40 HH TYR 40 6.208 -1.779 -2.444
293 H ASP 41 HN ASP 41 11.677 2.823 -0.874
294 HA ASP 41 HA ASP 41 11.732 5.505 0.037
295 HB2 ASP 41 HB2 ASP 41 11.511 4.327 -2.741
296 HB3 ASP 41 HB1 ASP 41 11.633 6.050 -2.433
297 H SER 42 HN SER 42 10.128 7.087 -0.025
298 HA SER 42 HA SER 42 7.509 6.151 -0.104
299 HB2 SER 42 HB2 SER 42 7.176 8.821 -0.291
300 HB3 SER 42 HB1 SER 42 7.414 7.973 1.232
301 H LEU 43 HN LEU 43 9.524 7.364 -2.664
302 HA LEU 43 HA LEU 43 7.429 7.880 -4.473
303 HB2 LEU 43 HB2 LEU 43 9.660 8.450 -5.173
304 HB3 LEU 43 HB1 LEU 43 10.199 6.791 -5.004
305 HG LEU 43 HG LEU 43 8.838 6.115 -6.923
306 HD11 LEU 43 HD11 LEU 43 8.035 9.014 -7.159
307 HD12 LEU 43 HD12 LEU 43 6.991 7.641 -6.749
308 HD13 LEU 43 HD13 LEU 43 7.711 7.741 -8.341
309 HD21 LEU 43 HD21 LEU 43 10.068 7.289 -8.681
310 HD22 LEU 43 HD22 LEU 43 11.115 6.835 -7.335
311 HD23 LEU 43 HD23 LEU 43 10.573 8.503 -7.507
312 H ALA 44 HN ALA 44 9.048 4.849 -3.669
313 HA ALA 44 HA ALA 44 7.532 3.239 -5.429
314 HB1 ALA 44 HB1 ALA 44 8.901 2.449 -2.842
315 HB2 ALA 44 HB2 ALA 44 9.668 2.502 -4.429
316 HB3 ALA 44 HB3 ALA 44 8.372 1.349 -4.118
317 H LEU 45 HN LEU 45 7.120 4.315 -2.145
318 HA LEU 45 HA LEU 45 4.818 2.811 -1.525
319 HB2 LEU 45 HB2 LEU 45 6.221 3.837 0.173
320 HB3 LEU 45 HB1 LEU 45 5.812 5.433 -0.415
321 HG LEU 45 HG LEU 45 3.527 5.171 0.359
322 HD11 LEU 45 HD11 LEU 45 2.856 3.194 1.626
323 HD12 LEU 45 HD12 LEU 45 4.417 2.443 1.295
324 HD13 LEU 45 HD13 LEU 45 3.296 2.769 -0.027
325 HD21 LEU 45 HD21 LEU 45 3.971 5.079 2.756
326 HD22 LEU 45 HD22 LEU 45 5.194 6.031 1.911
327 HD23 LEU 45 HD23 LEU 45 5.561 4.386 2.439
328 H MET 46 HN MET 46 5.206 6.113 -2.753
329 HA MET 46 HA MET 46 2.532 6.877 -3.043
330 HB2 MET 46 HB2 MET 46 4.941 7.541 -4.736
331 HB3 MET 46 HB1 MET 46 3.366 8.265 -4.983
332 HG2 MET 46 HG2 MET 46 5.021 8.474 -2.498
333 HG3 MET 46 HG1 MET 46 4.898 9.682 -3.781
334 HE1 MET 46 HE1 MET 46 2.633 10.941 -4.390
335 HE2 MET 46 HE2 MET 46 1.105 10.671 -3.553
336 HE3 MET 46 HE3 MET 46 1.809 9.389 -4.541
337 H GLU 47 HN GLU 47 4.707 5.212 -5.223
338 HA GLU 47 HA GLU 47 2.905 5.036 -7.350
339 HB2 GLU 47 HB2 GLU 47 5.406 4.846 -7.376
340 HB3 GLU 47 HB1 GLU 47 5.224 3.197 -6.792
341 HG2 GLU 47 HG2 GLU 47 3.928 2.625 -8.753
342 HG3 GLU 47 HG1 GLU 47 4.082 4.270 -9.360
343 H THR 48 HN THR 48 3.702 2.796 -4.712
344 HA THR 48 HA THR 48 2.014 0.678 -5.402
345 HB THR 48 HB THR 48 2.790 1.711 -2.650
346 HG1 THR 48 HG1 THR 48 4.630 1.052 -3.711
347 HG21 THR 48 HG21 THR 48 1.695 -0.994 -3.453
348 HG22 THR 48 HG22 THR 48 0.827 0.224 -2.519
349 HG23 THR 48 HG23 THR 48 2.258 -0.555 -1.841
350 H ALA 49 HN ALA 49 1.387 3.523 -3.339
351 HA ALA 49 HA ALA 49 -1.285 3.006 -2.764
352 HB1 ALA 49 HB1 ALA 49 0.033 4.718 -1.604
353 HB2 ALA 49 HB2 ALA 49 -1.469 5.387 -2.242
354 HB3 ALA 49 HB3 ALA 49 0.056 5.697 -3.074
355 H ALA 50 HN ALA 50 0.116 4.997 -5.357
356 HA ALA 50 HA ALA 50 -2.244 5.745 -6.620
357 HB1 ALA 50 HB1 ALA 50 -0.870 6.219 -8.582
358 HB2 ALA 50 HB2 ALA 50 0.445 5.258 -7.906
359 HB3 ALA 50 HB3 ALA 50 -0.058 6.749 -7.109
360 H ARG 51 HN ARG 51 -0.196 2.941 -7.163
361 HA ARG 51 HA ARG 51 -1.429 1.649 -9.282
362 HB2 ARG 51 HB2 ARG 51 0.686 1.044 -8.078
363 HB3 ARG 51 HB1 ARG 51 -0.291 0.424 -6.772
364 HG2 ARG 51 HG2 ARG 51 0.304 -1.470 -7.910
365 HG3 ARG 51 HG1 ARG 51 -1.287 -1.123 -8.583
366 HD2 ARG 51 HD2 ARG 51 1.242 -0.146 -9.871
367 HD3 ARG 51 HD1 ARG 51 0.618 -1.754 -10.179
368 HE ARG 51 HE ARG 51 -1.029 0.625 -10.746
369 HH11 ARG 51 HH11 ARG 51 0.674 -2.311 -11.808
370 HH12 ARG 51 HH12 ARG 51 0.056 -2.211 -13.414
371 HH21 ARG 51 HH21 ARG 51 -1.961 0.623 -12.957
372 HH22 ARG 51 HH22 ARG 51 -1.441 -0.609 -14.022
373 H LEU 52 HN LEU 52 -2.006 1.298 -5.799
374 HA LEU 52 HA LEU 52 -4.178 -0.474 -5.947
375 HB2 LEU 52 HB2 LEU 52 -3.344 1.461 -3.801
376 HB3 LEU 52 HB1 LEU 52 -4.668 0.335 -3.609
377 HG LEU 52 HG LEU 52 -1.810 -0.488 -4.135
378 HD11 LEU 52 HD11 LEU 52 -3.390 -0.442 -1.565
379 HD12 LEU 52 HD12 LEU 52 -2.020 0.597 -1.961
380 HD13 LEU 52 HD13 LEU 52 -1.785 -1.139 -1.777
381 HD21 LEU 52 HD21 LEU 52 -4.251 -2.056 -3.307
382 HD22 LEU 52 HD22 LEU 52 -2.616 -2.698 -3.478
383 HD23 LEU 52 HD23 LEU 52 -3.483 -2.101 -4.892
384 H GLU 53 HN GLU 53 -4.102 3.072 -5.665
385 HA GLU 53 HA GLU 53 -6.882 3.417 -5.431
386 HB2 GLU 53 HB2 GLU 53 -5.251 5.417 -6.947
387 HB3 GLU 53 HB1 GLU 53 -6.690 5.520 -5.953
388 HG2 GLU 53 HG2 GLU 53 -5.569 5.463 -3.975
389 HG3 GLU 53 HG1 GLU 53 -4.055 4.940 -4.735
390 H SER 54 HN SER 54 -4.778 3.444 -8.257
391 HA SER 54 HA SER 54 -6.777 4.104 -10.115
392 HB2 SER 54 HB2 SER 54 -4.327 4.429 -10.432
393 HB3 SER 54 HB1 SER 54 -4.137 2.685 -10.561
394 HG SER 54 HG SER 54 -5.592 4.410 -12.273
395 H ARG 55 HN ARG 55 -5.508 1.030 -8.954
396 HA ARG 55 HA ARG 55 -6.916 -0.537 -10.859
397 HB2 ARG 55 HB2 ARG 55 -4.816 -1.310 -9.912
398 HB3 ARG 55 HB1 ARG 55 -5.503 -1.306 -8.302
399 HG2 ARG 55 HG2 ARG 55 -6.936 -3.159 -8.858
400 HG3 ARG 55 HG1 ARG 55 -6.420 -3.100 -10.546
401 HD2 ARG 55 HD2 ARG 55 -4.601 -3.657 -8.193
402 HD3 ARG 55 HD1 ARG 55 -5.292 -4.890 -9.249
403 HE ARG 55 HE ARG 55 -4.095 -3.374 -11.026
404 HH11 ARG 55 HH11 ARG 55 -2.747 -4.618 -7.903
405 HH12 ARG 55 HH12 ARG 55 -1.152 -4.593 -8.536
406 HH21 ARG 55 HH21 ARG 55 -1.865 -3.407 -11.717
407 HH22 ARG 55 HH22 ARG 55 -0.625 -3.900 -10.635
408 H TYR 56 HN TYR 56 -7.733 0.630 -7.635
409 HA TYR 56 HA TYR 56 -10.122 -1.080 -7.773
410 HB2 TYR 56 HB2 TYR 56 -8.757 -0.072 -5.284
411 HB3 TYR 56 HB1 TYR 56 -10.214 -1.060 -5.319
412 HD1 TYR 56 HD1 TYR 56 -10.075 -3.379 -6.342
413 HD2 TYR 56 HD2 TYR 56 -6.629 -1.058 -5.452
414 HE1 TYR 56 HE1 TYR 56 -8.681 -5.404 -6.450
415 HE2 TYR 56 HE2 TYR 56 -5.235 -3.065 -5.550
416 HH TYR 56 HH TYR 56 -6.449 -6.042 -6.766
417 H GLY 57 HN GLY 57 -9.259 2.204 -7.829
418 HA2 GLY 57 HA2 GLY 57 -10.814 3.866 -8.388
419 HA3 GLY 57 HA1 GLY 57 -12.104 2.846 -7.786
420 H VAL 58 HN VAL 58 -9.234 3.579 -5.945
421 HA VAL 58 HA VAL 58 -10.955 5.114 -4.142
422 HB VAL 58 HB VAL 58 -9.507 4.559 -2.241
423 HG11 VAL 58 HG11 VAL 58 -11.380 3.113 -2.722
424 HG12 VAL 58 HG12 VAL 58 -10.014 2.182 -2.076
425 HG13 VAL 58 HG13 VAL 58 -10.358 2.167 -3.810
426 HG21 VAL 58 HG21 VAL 58 -7.724 2.930 -2.406
427 HG22 VAL 58 HG22 VAL 58 -7.386 4.285 -3.490
428 HG23 VAL 58 HG23 VAL 58 -8.019 2.760 -4.131
429 H SER 59 HN SER 59 -9.504 6.603 -2.627
430 HA SER 59 HA SER 59 -7.496 7.858 -4.280
431 HB2 SER 59 HB2 SER 59 -8.605 10.100 -3.461
432 HB3 SER 59 HB1 SER 59 -9.208 9.263 -4.892
433 HG SER 59 HG SER 59 -10.948 8.685 -3.887
434 H ILE 60 HN ILE 60 -5.740 7.896 -3.217
435 HA ILE 60 HA ILE 60 -5.706 8.444 -0.316
436 HB ILE 60 HB ILE 60 -3.649 6.874 -1.933
437 HG12 ILE 60 HG12 ILE 60 -5.687 5.546 -1.727
438 HG13 ILE 60 HG11 ILE 60 -4.423 4.861 -0.713
439 HG21 ILE 60 HG21 ILE 60 -3.819 7.314 1.053
440 HG22 ILE 60 HG22 ILE 60 -2.630 8.019 -0.036
441 HG23 ILE 60 HG23 ILE 60 -2.637 6.284 0.250
442 HD11 ILE 60 HD11 ILE 60 -6.717 6.573 0.226
443 HD12 ILE 60 HD12 ILE 60 -5.464 5.874 1.254
444 HD13 ILE 60 HD13 ILE 60 -6.588 4.822 0.397
445 HA PRO 61 HA PRO 61 -3.999 12.199 -2.126
446 HB2 PRO 61 HB2 PRO 61 -3.546 12.868 0.726
447 HB3 PRO 61 HB1 PRO 61 -4.426 13.769 -0.515
448 HG2 PRO 61 HG2 PRO 61 -5.731 12.484 1.418
449 HG3 PRO 61 HG1 PRO 61 -6.356 12.510 -0.243
450 HD2 PRO 61 HD2 PRO 61 -4.892 10.336 1.199
451 HD3 PRO 61 HD1 PRO 61 -6.299 10.221 0.118
452 H ASP 62 HN ASP 62 -2.050 12.927 -2.561
453 HA ASP 62 HA ASP 62 0.248 11.431 -2.507
454 HB2 ASP 62 HB2 ASP 62 0.108 14.453 -2.564
455 HB3 ASP 62 HB1 ASP 62 1.498 13.493 -3.034
456 H ASP 63 HN ASP 63 -0.478 14.132 -0.375
457 HA ASP 63 HA ASP 63 1.973 14.002 1.071
458 HB2 ASP 63 HB2 ASP 63 -0.628 15.333 1.841
459 HB3 ASP 63 HB1 ASP 63 0.884 15.523 2.714
460 H VAL 64 HN VAL 64 -0.978 12.346 1.351
461 HA VAL 64 HA VAL 64 -0.504 11.512 4.096
462 HB VAL 64 HB VAL 64 -2.675 10.659 2.148
463 HG11 VAL 64 HG11 VAL 64 -2.486 10.301 5.139
464 HG12 VAL 64 HG12 VAL 64 -2.334 9.030 3.927
465 HG13 VAL 64 HG13 VAL 64 -3.872 9.868 4.138
466 HG21 VAL 64 HG21 VAL 64 -2.754 12.726 4.348
467 HG22 VAL 64 HG22 VAL 64 -4.136 12.193 3.393
468 HG23 VAL 64 HG23 VAL 64 -2.801 13.042 2.613
469 H ALA 65 HN ALA 65 -0.561 10.158 0.831
470 HA ALA 65 HA ALA 65 -0.094 7.471 1.380
471 HB1 ALA 65 HB1 ALA 65 -0.721 8.320 -0.839
472 HB2 ALA 65 HB2 ALA 65 0.729 7.294 -0.887
473 HB3 ALA 65 HB3 ALA 65 0.893 9.039 -0.981
474 H GLY 66 HN GLY 66 2.213 10.103 0.928
475 HA2 GLY 66 HA2 GLY 66 4.464 8.343 1.178
476 HA3 GLY 66 HA1 GLY 66 4.515 10.099 1.172
477 H ARG 67 HN ARG 67 2.309 9.334 3.476
478 HA ARG 67 HA ARG 67 4.362 9.490 5.564
479 HB2 ARG 67 HB2 ARG 67 1.507 10.461 5.588
480 HB3 ARG 67 HB1 ARG 67 2.536 10.420 7.012
481 HG2 ARG 67 HG2 ARG 67 3.039 12.016 4.510
482 HG3 ARG 67 HG1 ARG 67 2.433 12.643 6.045
483 HD2 ARG 67 HD2 ARG 67 5.112 11.339 5.599
484 HD3 ARG 67 HD1 ARG 67 4.825 13.069 5.768
485 HE ARG 67 HE ARG 67 3.814 12.290 8.023
486 HH11 ARG 67 HH11 ARG 67 6.777 11.073 6.456
487 HH12 ARG 67 HH12 ARG 67 7.538 10.587 7.881
488 HH21 ARG 67 HH21 ARG 67 4.884 11.679 10.039
489 HH22 ARG 67 HH22 ARG 67 6.452 11.017 10.008
490 H VAL 68 HN VAL 68 2.281 7.264 4.230
491 HA VAL 68 HA VAL 68 1.435 6.096 6.717
492 HB VAL 68 HB VAL 68 0.515 4.199 5.339
493 HG11 VAL 68 HG11 VAL 68 -0.279 6.971 4.504
494 HG12 VAL 68 HG12 VAL 68 -0.853 6.089 5.919
495 HG13 VAL 68 HG13 VAL 68 -1.258 5.520 4.298
496 HG21 VAL 68 HG21 VAL 68 2.024 4.245 3.403
497 HG22 VAL 68 HG22 VAL 68 1.453 5.866 2.997
498 HG23 VAL 68 HG23 VAL 68 0.354 4.505 2.880
499 H ASP 69 HN ASP 69 2.918 5.398 7.975
500 HA ASP 69 HA ASP 69 5.491 4.533 7.166
501 HB2 ASP 69 HB2 ASP 69 5.065 5.626 9.318
502 HB3 ASP 69 HB1 ASP 69 4.181 4.206 9.859
503 H THR 70 HN THR 70 2.616 2.681 7.936
504 HA THR 70 HA THR 70 4.173 0.281 7.329
505 HB THR 70 HB THR 70 2.654 -0.993 8.891
506 HG1 THR 70 HG1 THR 70 1.970 1.171 10.412
507 HG21 THR 70 HG21 THR 70 4.265 1.231 10.140
508 HG22 THR 70 HG22 THR 70 4.897 -0.331 9.614
509 HG23 THR 70 HG23 THR 70 3.759 -0.244 10.966
510 HA PRO 71 HA PRO 71 1.304 -0.623 4.080
511 HB2 PRO 71 HB2 PRO 71 1.095 -3.394 5.150
512 HB3 PRO 71 HB1 PRO 71 1.549 -2.842 3.531
513 HG2 PRO 71 HG2 PRO 71 3.396 -3.754 5.183
514 HG3 PRO 71 HG1 PRO 71 3.722 -2.332 4.172
515 HD2 PRO 71 HD2 PRO 71 3.023 -2.470 7.078
516 HD3 PRO 71 HD1 PRO 71 4.222 -1.450 6.259
517 H ARG 72 HN ARG 72 0.470 -1.676 7.311
518 HA ARG 72 HA ARG 72 -2.259 -2.138 6.752
519 HB2 ARG 72 HB2 ARG 72 -1.308 -3.177 8.703
520 HB3 ARG 72 HB1 ARG 72 -0.845 -1.623 9.370
521 HG2 ARG 72 HG2 ARG 72 -3.124 -1.047 9.806
522 HG3 ARG 72 HG1 ARG 72 -3.704 -2.454 8.914
523 HD2 ARG 72 HD2 ARG 72 -1.970 -2.628 11.369
524 HD3 ARG 72 HD1 ARG 72 -3.734 -2.673 11.418
525 HE ARG 72 HE ARG 72 -3.451 -4.611 9.801
526 HH11 ARG 72 HH11 ARG 72 -1.011 -3.914 12.262
527 HH12 ARG 72 HH12 ARG 72 -0.700 -5.533 12.644
528 HH21 ARG 72 HH21 ARG 72 -2.982 -6.819 10.214
529 HH22 ARG 72 HH22 ARG 72 -1.791 -7.273 11.364
530 H GLU 73 HN GLU 73 -0.453 0.745 7.538
531 HA GLU 73 HA GLU 73 -2.611 2.454 8.167
532 HB2 GLU 73 HB2 GLU 73 0.027 3.043 6.818
533 HB3 GLU 73 HB1 GLU 73 -1.070 4.266 7.431
534 HG2 GLU 73 HG2 GLU 73 0.194 2.143 9.122
535 HG3 GLU 73 HG1 GLU 73 0.869 3.752 8.879
536 H LEU 74 HN LEU 74 -0.944 1.739 5.146
537 HA LEU 74 HA LEU 74 -2.457 3.403 3.437
538 HB2 LEU 74 HB2 LEU 74 -0.200 1.964 3.129
539 HB3 LEU 74 HB1 LEU 74 -1.338 0.826 2.440
540 HG LEU 74 HG LEU 74 -0.807 3.619 1.430
541 HD11 LEU 74 HD11 LEU 74 -0.021 0.941 0.319
542 HD12 LEU 74 HD12 LEU 74 1.049 2.162 1.014
543 HD13 LEU 74 HD13 LEU 74 0.198 2.492 -0.494
544 HD21 LEU 74 HD21 LEU 74 -2.174 2.993 -0.511
545 HD22 LEU 74 HD22 LEU 74 -3.125 2.947 0.975
546 HD23 LEU 74 HD23 LEU 74 -2.547 1.446 0.249
547 H LEU 75 HN LEU 75 -2.739 -0.008 4.348
548 HA LEU 75 HA LEU 75 -4.979 -0.580 2.752
549 HB2 LEU 75 HB2 LEU 75 -3.588 -2.361 3.589
550 HB3 LEU 75 HB1 LEU 75 -3.954 -1.927 5.245
551 HG LEU 75 HG LEU 75 -6.273 -2.633 4.947
552 HD11 LEU 75 HD11 LEU 75 -6.520 -2.110 2.569
553 HD12 LEU 75 HD12 LEU 75 -7.044 -3.734 2.947
554 HD13 LEU 75 HD13 LEU 75 -5.480 -3.480 2.157
555 HD21 LEU 75 HD21 LEU 75 -5.872 -5.041 4.732
556 HD22 LEU 75 HD22 LEU 75 -4.637 -4.266 5.722
557 HD23 LEU 75 HD23 LEU 75 -4.281 -4.712 4.053
558 H ASP 76 HN ASP 76 -4.690 0.633 6.052
559 HA ASP 76 HA ASP 76 -7.412 0.349 6.750
560 HB2 ASP 76 HB2 ASP 76 -5.659 0.694 8.438
561 HB3 ASP 76 HB1 ASP 76 -5.369 2.312 7.813
562 H LEU 77 HN LEU 77 -5.549 2.937 5.326
563 HA LEU 77 HA LEU 77 -7.546 4.869 5.148
564 HB2 LEU 77 HB2 LEU 77 -5.277 4.279 3.259
565 HB3 LEU 77 HB1 LEU 77 -6.279 5.707 3.173
566 HG LEU 77 HG LEU 77 -4.350 4.993 5.396
567 HD11 LEU 77 HD11 LEU 77 -3.298 5.728 3.363
568 HD12 LEU 77 HD12 LEU 77 -3.164 6.953 4.624
569 HD13 LEU 77 HD13 LEU 77 -4.333 7.154 3.317
570 HD21 LEU 77 HD21 LEU 77 -6.135 7.416 5.089
571 HD22 LEU 77 HD22 LEU 77 -4.922 7.168 6.345
572 HD23 LEU 77 HD23 LEU 77 -6.353 6.136 6.281
573 H ILE 78 HN ILE 78 -6.668 2.279 2.908
574 HA ILE 78 HA ILE 78 -8.794 2.924 1.139
575 HB ILE 78 HB ILE 78 -7.049 0.461 1.243
576 HG12 ILE 78 HG12 ILE 78 -6.979 2.984 -0.413
577 HG13 ILE 78 HG11 ILE 78 -5.752 2.374 0.684
578 HG21 ILE 78 HG21 ILE 78 -9.168 -0.098 0.150
579 HG22 ILE 78 HG22 ILE 78 -7.858 -0.049 -1.033
580 HG23 ILE 78 HG23 ILE 78 -8.995 1.294 -0.921
581 HD11 ILE 78 HD11 ILE 78 -5.073 2.082 -1.637
582 HD12 ILE 78 HD12 ILE 78 -6.557 1.210 -1.953
583 HD13 ILE 78 HD13 ILE 78 -5.349 0.491 -0.880
584 H ASN 79 HN ASN 79 -8.522 0.833 3.875
585 HA ASN 79 HA ASN 79 -10.820 -0.731 3.558
586 HB2 ASN 79 HB2 ASN 79 -9.279 0.181 5.924
587 HB3 ASN 79 HB1 ASN 79 -10.924 -0.343 6.237
588 HD21 ASN 79 HD21 ASN 79 -8.871 -1.727 3.733
589 HD22 ASN 79 HD22 ASN 79 -8.748 -3.281 4.483
590 H GLY 80 HN GLY 80 -10.515 2.447 5.051
591 HA2 GLY 80 HA2 GLY 80 -13.308 2.780 5.463
592 HA3 GLY 80 HA1 GLY 80 -12.097 4.057 5.484
593 H ALA 81 HN ALA 81 -11.182 3.367 2.781
594 HA ALA 81 HA ALA 81 -12.868 5.195 1.381
595 HB1 ALA 81 HB1 ALA 81 -10.444 5.184 1.081
596 HB2 ALA 81 HB2 ALA 81 -11.289 4.946 -0.449
597 HB3 ALA 81 HB3 ALA 81 -10.540 3.573 0.368
598 H LEU 82 HN LEU 82 -12.140 1.742 1.052
599 HA LEU 82 HA LEU 82 -13.768 1.363 -1.224
600 HB2 LEU 82 HB2 LEU 82 -12.576 -0.511 0.772
601 HB3 LEU 82 HB1 LEU 82 -13.654 -1.094 -0.471
602 HG LEU 82 HG LEU 82 -11.013 0.321 -0.986
603 HD11 LEU 82 HD11 LEU 82 -10.726 -1.883 0.008
604 HD12 LEU 82 HD12 LEU 82 -10.244 -1.865 -1.689
605 HD13 LEU 82 HD13 LEU 82 -11.788 -2.573 -1.218
606 HD21 LEU 82 HD21 LEU 82 -12.931 -1.072 -2.859
607 HD22 LEU 82 HD22 LEU 82 -11.371 -0.371 -3.292
608 HD23 LEU 82 HD23 LEU 82 -12.686 0.672 -2.753
609 H ALA 83 HN ALA 83 -14.436 1.292 2.178
610 HA ALA 83 HA ALA 83 -16.963 0.015 1.944
611 HB1 ALA 83 HB1 ALA 83 -15.738 0.085 4.069
612 HB2 ALA 83 HB2 ALA 83 -17.347 0.789 4.237
613 HB3 ALA 83 HB3 ALA 83 -15.933 1.837 4.127
614 H GLU 84 HN GLU 84 -15.998 3.411 2.364
615 HA GLU 84 HA GLU 84 -18.713 4.270 1.713
616 HB2 GLU 84 HB2 GLU 84 -16.318 5.784 2.762
617 HB3 GLU 84 HB1 GLU 84 -17.889 6.500 2.444
618 HG2 GLU 84 HG2 GLU 84 -17.288 4.344 4.454
619 HG3 GLU 84 HG1 GLU 84 -17.611 6.042 4.803
620 H ALA 85 HN ALA 85 -17.024 3.157 -0.316
621 HA ALA 85 HA ALA 85 -15.651 5.001 -1.889
622 HB1 ALA 85 HB1 ALA 85 -15.473 2.575 -2.162
623 HB2 ALA 85 HB2 ALA 85 -15.830 3.385 -3.687
624 HB3 ALA 85 HB3 ALA 85 -17.107 2.534 -2.819
625 H ALA 86 HN ALA 86 -16.251 6.590 -3.111
626 HA ALA 86 HA ALA 86 -18.963 6.629 -4.179
627 HB1 ALA 86 HB1 ALA 86 -17.445 8.976 -3.005
628 HB2 ALA 86 HB2 ALA 86 -18.854 8.193 -2.288
629 HB3 ALA 86 HB3 ALA 86 -19.012 9.070 -3.812
630 H28 SXM 87 H28A SXM 87 8.143 12.956 0.391
631 H28A SXM 87 H28B SXM 87 7.912 12.589 -1.317
632 H30 SXM 87 H30A SXM 87 5.808 12.694 -2.325
633 H30A SXM 87 H30B SXM 87 4.316 12.602 -1.386
634 H30B SXM 87 H30C SXM 87 5.418 11.229 -1.426
635 H31 SXM 87 H31C SXM 87 5.943 12.700 1.924
636 H31A SXM 87 H31A SXM 87 5.443 11.245 1.055
637 H31B SXM 87 H31B SXM 87 4.387 12.658 1.094
638 H32 SXM 87 H32A SXM 87 4.966 14.733 -0.020
639 HO33 SXM 87 H33A SXM 87 7.284 14.917 -1.621
640 HN36 SXM 87 H36A SXM 87 6.803 16.720 -0.261
641 H37 SXM 87 H37B SXM 87 9.002 16.789 1.489
642 H37A SXM 87 H37A SXM 87 7.564 17.254 2.404
643 H38 SXM 87 H38A SXM 87 7.103 19.037 0.769
644 H38A SXM 87 H38B SXM 87 8.611 19.236 1.632
645 HN41 SXM 87 H41A SXM 87 8.046 20.543 -0.652
646 H42 SXM 87 H42A SXM 87 10.202 20.735 -2.186
647 H42A SXM 87 H42B SXM 87 9.410 19.343 -2.917
648 H43 SXM 87 H43A SXM 87 8.693 21.313 -4.117
649 H43A SXM 87 H43B SXM 87 8.231 22.082 -2.592
650 H2 SXM 87 H2A SXM 87 4.170 20.492 -3.453
651 H2A SXM 87 H2B SXM 87 3.936 21.527 -4.852
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:02:05 AM GMT (wattos1)