Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
610795 | 5mfy RC | 34068 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -25.635 -3.071 -0.966
2 H2 GLY 1 2H GLY 1 -25.416 -3.764 -2.495
3 H3 GLY 1 3H GLY 1 -24.848 -2.197 -2.189
4 HA2 GLY 1 1HA GLY 1 -23.026 -3.766 -2.194
5 HA3 GLY 1 2HA GLY 1 -23.247 -3.033 -0.611
6 H ALA 2 H ALA 2 -22.192 -4.748 0.387
7 HA ALA 2 HA ALA 2 -22.119 -6.622 1.648
8 HB1 ALA 2 1HB ALA 2 -24.440 -6.174 2.244
9 HB2 ALA 2 2HB ALA 2 -24.136 -7.906 2.113
10 HB3 ALA 2 3HB ALA 2 -24.982 -7.061 0.817
11 H MET 3 H MET 3 -24.066 -7.474 -1.230
12 HA MET 3 HA MET 3 -22.536 -9.956 -1.453
13 HB2 MET 3 1HB MET 3 -24.985 -9.024 -2.963
14 HB3 MET 3 2HB MET 3 -24.241 -10.610 -3.106
15 HG2 MET 3 1HG MET 3 -25.528 -9.459 -0.643
16 HG3 MET 3 2HG MET 3 -26.204 -10.701 -1.697
17 HE1 MET 3 1HE MET 3 -26.630 -12.272 0.399
18 HE2 MET 3 2HE MET 3 -25.974 -11.021 1.452
19 HE3 MET 3 3HE MET 3 -25.391 -12.680 1.585
20 H GLY 4 H GLY 4 -20.965 -7.827 -2.018
21 HA2 GLY 4 1HA GLY 4 -20.145 -8.385 -4.698
22 HA3 GLY 4 2HA GLY 4 -20.873 -6.790 -4.566
23 H THR 5 H THR 5 -18.673 -8.703 -2.531
24 HA THR 5 HA THR 5 -17.214 -6.421 -1.692
25 HB THR 5 HB THR 5 -15.563 -8.222 -0.866
26 HG1 THR 5 1HG THR 5 -16.505 -9.822 -2.402
27 HG21 THR 5 1HG2 THR 5 -17.216 -7.119 0.569
28 HG22 THR 5 2HG2 THR 5 -17.032 -8.820 0.994
29 HG23 THR 5 3HG2 THR 5 -18.434 -8.290 0.066
30 H LYS 6 H LYS 6 -16.262 -5.292 -3.299
31 HA LYS 6 HA LYS 6 -14.658 -6.706 -5.299
32 HB2 LYS 6 1HB LYS 6 -15.382 -3.775 -5.130
33 HB3 LYS 6 2HB LYS 6 -14.627 -4.586 -6.495
34 HG2 LYS 6 1HG LYS 6 -16.620 -5.912 -6.852
35 HG3 LYS 6 2HG LYS 6 -17.382 -5.184 -5.437
36 HD2 LYS 6 1HD LYS 6 -17.252 -2.982 -6.530
37 HD3 LYS 6 2HD LYS 6 -16.544 -3.746 -7.956
38 HE2 LYS 6 1HE LYS 6 -18.903 -3.406 -8.323
39 HE3 LYS 6 2HE LYS 6 -18.580 -5.133 -8.176
40 HZ1 LYS 6 1HZ LYS 6 -20.500 -4.690 -6.912
41 HZ2 LYS 6 2HZ LYS 6 -19.805 -3.334 -6.165
42 HZ3 LYS 6 3HZ LYS 6 -19.251 -4.888 -5.782
43 H TYR 7 H TYR 7 -14.406 -4.176 -2.847
44 HA TYR 7 HA TYR 7 -11.509 -4.658 -2.773
45 HB2 TYR 7 2HB TYR 7 -12.920 -1.996 -2.851
46 HB3 TYR 7 1HB TYR 7 -11.292 -2.170 -2.207
47 HD1 TYR 7 1HD TYR 7 -9.437 -2.827 -3.684
48 HD2 TYR 7 2HD TYR 7 -13.332 -2.077 -5.219
49 HE1 TYR 7 1HE TYR 7 -8.499 -2.636 -5.948
50 HE2 TYR 7 2HE TYR 7 -12.407 -1.886 -7.490
51 HH TYR 7 HH TYR 7 -10.088 -1.280 -8.504
52 H ALA 8 H ALA 8 -11.511 -5.848 -0.945
53 HA ALA 8 HA ALA 8 -12.895 -4.871 1.429
54 HB1 ALA 8 1HB ALA 8 -11.189 -7.333 1.060
55 HB2 ALA 8 2HB ALA 8 -12.947 -7.270 0.936
56 HB3 ALA 8 3HB ALA 8 -12.160 -6.940 2.480
57 H VAL 9 H VAL 9 -11.510 -5.118 3.526
58 HA VAL 9 HA VAL 9 -9.461 -3.174 3.398
59 HB VAL 9 HB VAL 9 -9.052 -3.767 5.805
60 HG11 VAL 9 1HG1 VAL 9 -10.660 -2.044 5.158
61 HG12 VAL 9 2HG1 VAL 9 -11.190 -2.905 6.602
62 HG13 VAL 9 3HG1 VAL 9 -11.925 -3.267 5.041
63 HG21 VAL 9 1HG2 VAL 9 -10.658 -5.279 6.905
64 HG22 VAL 9 2HG2 VAL 9 -9.640 -6.127 5.741
65 HG23 VAL 9 3HG2 VAL 9 -11.304 -5.719 5.324
66 HA PRO 10 HA PRO 10 -6.222 -6.016 2.206
67 HB2 PRO 10 2HB PRO 10 -4.247 -4.161 2.076
68 HB3 PRO 10 1HB PRO 10 -5.458 -4.367 0.807
69 HG2 PRO 10 2HG PRO 10 -5.322 -2.325 2.985
70 HG3 PRO 10 1HG PRO 10 -5.808 -2.133 1.290
71 HD2 PRO 10 2HD PRO 10 -7.583 -2.331 3.344
72 HD3 PRO 10 1HD PRO 10 -7.940 -2.854 1.687
73 H ASP 11 H ASP 11 -5.072 -7.282 3.502
74 HA ASP 11 HA ASP 11 -4.065 -6.148 6.001
75 HB2 ASP 11 1HB ASP 11 -3.955 -8.403 6.862
76 HB3 ASP 11 2HB ASP 11 -5.561 -8.112 6.231
77 H THR 12 H THR 12 -2.011 -5.731 6.130
78 HA THR 12 HA THR 12 -0.287 -6.232 3.933
79 HB THR 12 HB THR 12 1.442 -5.145 5.418
80 HG1 THR 12 1HG THR 12 -0.667 -4.451 7.152
81 HG21 THR 12 1HG2 THR 12 -1.217 -3.765 5.008
82 HG22 THR 12 2HG2 THR 12 0.114 -3.847 3.852
83 HG23 THR 12 3HG2 THR 12 0.306 -2.940 5.355
84 H SER 13 H SER 13 -1.305 -8.362 6.081
85 HA SER 13 HA SER 13 1.186 -9.727 6.635
86 HB2 SER 13 1HB SER 13 -1.652 -10.701 7.045
87 HB3 SER 13 2HB SER 13 -0.189 -11.318 7.817
88 HG SER 13 HG SER 13 0.010 -9.023 8.601
89 H THR 14 H THR 14 -1.085 -9.535 4.092
90 HA THR 14 HA THR 14 -0.163 -12.076 2.949
91 HB THR 14 HB THR 14 -1.794 -11.585 1.111
92 HG1 THR 14 1HG THR 14 -2.948 -9.623 2.786
93 HG21 THR 14 1HG2 THR 14 -2.923 -11.648 3.909
94 HG22 THR 14 2HG2 THR 14 -2.410 -13.043 2.959
95 HG23 THR 14 3HG2 THR 14 -3.797 -12.085 2.439
96 H TYR 15 H TYR 15 1.224 -9.294 3.250
97 HA TYR 15 HA TYR 15 1.799 -8.717 0.449
98 HB2 TYR 15 2HB TYR 15 2.527 -7.280 3.005
99 HB3 TYR 15 1HB TYR 15 3.160 -6.817 1.433
100 HD1 TYR 15 1HD TYR 15 -0.273 -8.046 1.781
101 HD2 TYR 15 2HD TYR 15 2.202 -4.595 1.563
102 HE1 TYR 15 1HE TYR 15 -2.259 -6.661 1.390
103 HE2 TYR 15 2HE TYR 15 0.214 -3.196 1.175
104 HH TYR 15 HH TYR 15 -2.188 -3.656 0.173
105 H GLN 16 H GLN 16 4.134 -8.177 -0.035
106 HA GLN 16 HA GLN 16 5.875 -10.256 1.130
107 HB2 GLN 16 1HB GLN 16 5.865 -9.219 -1.716
108 HB3 GLN 16 2HB GLN 16 6.938 -10.454 -1.073
109 HG2 GLN 16 1HG GLN 16 5.042 -11.934 -0.709
110 HG3 GLN 16 2HG GLN 16 3.945 -10.688 -1.309
111 HE21 GLN 16 1HE2 GLN 16 4.635 -11.236 -4.689
112 HE22 GLN 16 2HE2 GLN 16 3.924 -10.202 -3.498
113 H TYR 17 H TYR 17 7.187 -9.114 2.488
114 HA TYR 17 HA TYR 17 7.930 -6.433 2.024
115 HB2 TYR 17 2HB TYR 17 7.974 -7.317 4.279
116 HB3 TYR 17 1HB TYR 17 9.203 -8.497 3.831
117 HD1 TYR 17 1HD TYR 17 8.594 -4.839 4.131
118 HD2 TYR 17 2HD TYR 17 11.480 -7.959 3.991
119 HE1 TYR 17 1HE TYR 17 10.355 -3.230 4.730
120 HE2 TYR 17 2HE TYR 17 13.246 -6.359 4.586
121 HH TYR 17 HH TYR 17 12.644 -3.323 5.824
122 H ASP 18 H ASP 18 9.237 -5.696 0.537
123 HA ASP 18 HA ASP 18 11.296 -7.416 -0.622
124 HB2 ASP 18 1HB ASP 18 9.726 -5.987 -2.039
125 HB3 ASP 18 2HB ASP 18 10.591 -4.589 -1.419
126 H GLU 19 H GLU 19 13.149 -7.426 0.519
127 HA GLU 19 HA GLU 19 13.732 -5.366 2.411
128 HB2 GLU 19 1HB GLU 19 15.680 -6.675 2.969
129 HB3 GLU 19 2HB GLU 19 14.299 -7.731 2.750
130 HG2 GLU 19 1HG GLU 19 15.082 -8.405 0.581
131 HG3 GLU 19 2HG GLU 19 16.422 -7.262 0.681
132 H SER 20 H SER 20 14.626 -6.005 -0.847
133 HA SER 20 HA SER 20 17.009 -4.437 -0.859
134 HB2 SER 20 1HB SER 20 16.435 -6.321 -2.454
135 HB3 SER 20 2HB SER 20 15.303 -5.217 -3.231
136 HG SER 20 HG SER 20 18.062 -4.631 -2.876
137 H SER 21 H SER 21 13.622 -3.858 -1.282
138 HA SER 21 HA SER 21 14.132 -1.139 -2.261
139 HB2 SER 21 1HB SER 21 12.495 -2.618 -3.452
140 HB3 SER 21 2HB SER 21 11.492 -2.598 -2.005
141 HG SER 21 HG SER 21 11.155 -0.992 -3.852
142 H GLY 22 H GLY 22 12.805 -2.922 0.454
143 HA2 GLY 22 1HA GLY 22 12.817 -2.117 2.671
144 HA3 GLY 22 2HA GLY 22 12.953 -0.475 2.057
145 H TYR 23 H TYR 23 10.618 -2.303 0.443
146 HA TYR 23 HA TYR 23 8.471 -1.094 2.064
147 HB2 TYR 23 2HB TYR 23 8.713 -1.307 -0.938
148 HB3 TYR 23 1HB TYR 23 7.200 -0.937 -0.121
149 HD1 TYR 23 1HD TYR 23 6.907 1.190 1.038
150 HD2 TYR 23 2HD TYR 23 10.459 0.337 -1.133
151 HE1 TYR 23 1HE TYR 23 7.481 3.577 1.055
152 HE2 TYR 23 2HE TYR 23 11.050 2.722 -1.120
153 HH TYR 23 HH TYR 23 9.407 5.012 0.845
154 H TYR 24 H TYR 24 6.454 -2.232 2.063
155 HA TYR 24 HA TYR 24 6.671 -5.097 1.579
156 HB2 TYR 24 2HB TYR 24 4.546 -3.339 2.797
157 HB3 TYR 24 1HB TYR 24 4.224 -5.021 2.395
158 HD1 TYR 24 1HD TYR 24 5.118 -6.800 3.710
159 HD2 TYR 24 2HD TYR 24 6.144 -2.766 4.587
160 HE1 TYR 24 1HE TYR 24 6.024 -7.510 5.878
161 HE2 TYR 24 2HE TYR 24 7.063 -3.470 6.758
162 HH TYR 24 HH TYR 24 6.796 -5.336 8.353
163 H TYR 25 H TYR 25 6.258 -5.878 -0.401
164 HA TYR 25 HA TYR 25 4.967 -4.253 -2.368
165 HB2 TYR 25 2HB TYR 25 6.714 -5.733 -3.113
166 HB3 TYR 25 1HB TYR 25 5.886 -7.134 -2.437
167 HD1 TYR 25 1HD TYR 25 5.200 -4.355 -4.850
168 HD2 TYR 25 2HD TYR 25 4.724 -8.476 -3.906
169 HE1 TYR 25 1HE TYR 25 4.043 -4.704 -6.993
170 HE2 TYR 25 2HE TYR 25 3.574 -8.840 -6.047
171 HH TYR 25 HH TYR 25 3.582 -6.539 -8.556
172 H ASP 26 H ASP 26 2.920 -4.159 -2.876
173 HA ASP 26 HA ASP 26 1.034 -6.015 -1.629
174 HB2 ASP 26 1HB ASP 26 0.492 -3.774 -1.073
175 HB3 ASP 26 2HB ASP 26 0.761 -3.215 -2.718
176 HA PRO 27 HA PRO 27 0.587 -7.537 -5.910
177 HB2 PRO 27 2HB PRO 27 -0.259 -9.997 -5.145
178 HB3 PRO 27 1HB PRO 27 1.451 -9.567 -5.256
179 HG2 PRO 27 2HG PRO 27 -0.314 -9.704 -2.845
180 HG3 PRO 27 1HG PRO 27 1.363 -10.250 -3.040
181 HD2 PRO 27 2HD PRO 27 0.710 -7.906 -1.833
182 HD3 PRO 27 1HD PRO 27 2.218 -8.148 -2.730
183 H THR 28 H THR 28 -1.480 -7.029 -3.231
184 HA THR 28 HA THR 28 -3.893 -8.119 -4.237
185 HB THR 28 HB THR 28 -3.964 -5.749 -2.432
186 HG1 THR 28 1HG THR 28 -2.424 -6.606 -1.260
187 HG21 THR 28 1HG2 THR 28 -5.614 -7.111 -1.256
188 HG22 THR 28 2HG2 THR 28 -5.268 -8.473 -2.320
189 HG23 THR 28 3HG2 THR 28 -6.005 -7.009 -2.972
190 H THR 29 H THR 29 -2.549 -4.828 -4.222
191 HA THR 29 HA THR 29 -4.530 -4.091 -6.276
192 HB THR 29 HB THR 29 -3.005 -2.073 -4.665
193 HG1 THR 29 1HG THR 29 -3.972 -3.430 -3.130
194 HG21 THR 29 1HG2 THR 29 -5.757 -2.071 -5.911
195 HG22 THR 29 2HG2 THR 29 -4.318 -1.313 -6.592
196 HG23 THR 29 3HG2 THR 29 -5.002 -0.716 -5.080
197 H GLY 30 H GLY 30 -1.160 -3.812 -5.245
198 HA2 GLY 30 1HA GLY 30 0.533 -4.156 -7.017
199 HA3 GLY 30 2HA GLY 30 -0.457 -3.120 -8.042
200 H LEU 31 H LEU 31 0.362 -2.714 -4.647
201 HA LEU 31 HA LEU 31 1.689 -0.167 -5.349
202 HB2 LEU 31 1HB LEU 31 -0.222 -0.717 -3.081
203 HB3 LEU 31 2HB LEU 31 0.726 0.748 -3.229
204 HG LEU 31 HG LEU 31 -1.440 -0.179 -5.122
205 HD11 LEU 31 1HD1 LEU 31 -1.307 2.162 -3.233
206 HD12 LEU 31 2HD1 LEU 31 -2.282 0.707 -3.016
207 HD13 LEU 31 3HD1 LEU 31 -2.623 1.807 -4.353
208 HD21 LEU 31 1HD2 LEU 31 -1.103 1.955 -6.273
209 HD22 LEU 31 2HD2 LEU 31 0.342 0.946 -6.351
210 HD23 LEU 31 3HD2 LEU 31 0.274 2.302 -5.226
211 H TYR 32 H TYR 32 2.872 0.707 -3.327
212 HA TYR 32 HA TYR 32 4.255 -1.529 -2.007
213 HB2 TYR 32 2HB TYR 32 5.237 1.138 -2.972
214 HB3 TYR 32 1HB TYR 32 6.084 0.303 -1.677
215 HD1 TYR 32 1HD TYR 32 6.881 -2.084 -2.140
216 HD2 TYR 32 2HD TYR 32 5.668 0.599 -5.209
217 HE1 TYR 32 1HE TYR 32 8.118 -3.425 -3.786
218 HE2 TYR 32 2HE TYR 32 6.895 -0.737 -6.870
219 HH TYR 32 HH TYR 32 8.061 -3.842 -6.253
220 H TYR 33 H TYR 33 3.997 -1.683 0.112
221 HA TYR 33 HA TYR 33 2.693 0.503 1.530
222 HB2 TYR 33 2HB TYR 33 1.693 -1.669 1.829
223 HB3 TYR 33 1HB TYR 33 3.242 -2.372 2.279
224 HD1 TYR 33 1HD TYR 33 0.613 0.000 3.390
225 HD2 TYR 33 2HD TYR 33 3.984 -2.338 4.516
226 HE1 TYR 33 1HE TYR 33 0.126 0.449 5.762
227 HE2 TYR 33 2HE TYR 33 3.508 -1.898 6.886
228 HH TYR 33 HH TYR 33 2.337 -0.252 8.260
229 H ASP 34 H ASP 34 3.851 1.913 2.639
230 HA ASP 34 HA ASP 34 6.614 1.371 3.333
231 HB2 ASP 34 1HB ASP 34 5.806 3.628 2.537
232 HB3 ASP 34 2HB ASP 34 4.944 3.789 4.061
233 HA PRO 35 HA PRO 35 5.230 -0.434 7.213
234 HB2 PRO 35 2HB PRO 35 7.796 -0.804 8.174
235 HB3 PRO 35 1HB PRO 35 6.923 -1.955 7.156
236 HG2 PRO 35 2HG PRO 35 9.010 0.038 6.420
237 HG3 PRO 35 1HG PRO 35 8.730 -1.588 5.775
238 HD2 PRO 35 2HD PRO 35 8.021 0.654 4.442
239 HD3 PRO 35 1HD PRO 35 7.107 -0.862 4.315
240 H ASN 36 H ASN 36 7.301 2.320 6.789
241 HA ASN 36 HA ASN 36 7.444 2.847 9.640
242 HB2 ASN 36 1HB ASN 36 9.363 3.222 8.015
243 HB3 ASN 36 2HB ASN 36 8.458 4.606 7.407
244 HD21 ASN 36 1HD2 ASN 36 10.334 4.740 11.008
245 HD22 ASN 36 2HD2 ASN 36 10.096 3.241 10.163
246 H SER 37 H SER 37 6.161 4.411 6.731
247 HA SER 37 HA SER 37 4.797 6.421 8.322
248 HB2 SER 37 1HB SER 37 4.598 5.968 5.343
249 HB3 SER 37 2HB SER 37 4.295 7.462 6.233
250 HG SER 37 HG SER 37 6.743 6.202 5.626
251 H GLN 38 H GLN 38 4.141 3.378 6.934
252 HA GLN 38 HA GLN 38 2.349 2.018 6.871
253 HB2 GLN 38 1HB GLN 38 1.145 4.074 8.721
254 HB3 GLN 38 2HB GLN 38 0.386 2.537 8.322
255 HG2 GLN 38 1HG GLN 38 2.240 1.331 9.298
256 HG3 GLN 38 2HG GLN 38 3.082 2.844 9.629
257 HE21 GLN 38 1HE2 GLN 38 -0.386 2.507 11.726
258 HE22 GLN 38 2HE2 GLN 38 -0.363 2.368 10.003
259 H TYR 39 H TYR 39 2.722 4.036 4.875
260 HA TYR 39 HA TYR 39 -0.058 4.331 3.958
261 HB2 TYR 39 2HB TYR 39 2.317 6.131 3.453
262 HB3 TYR 39 1HB TYR 39 0.810 6.244 2.557
263 HD1 TYR 39 1HD TYR 39 -1.334 6.257 4.237
264 HD2 TYR 39 2HD TYR 39 2.572 7.671 5.145
265 HE1 TYR 39 1HE TYR 39 -2.276 7.720 5.967
266 HE2 TYR 39 2HE TYR 39 1.640 9.138 6.887
267 HH TYR 39 HH TYR 39 -0.396 10.161 7.545
268 H TYR 40 H TYR 40 -0.299 4.291 1.605
269 HA TYR 40 HA TYR 40 1.412 2.221 0.460
270 HB2 TYR 40 2HB TYR 40 -1.303 3.279 -0.334
271 HB3 TYR 40 1HB TYR 40 -0.408 2.092 -1.279
272 HD1 TYR 40 1HD TYR 40 -2.478 2.648 1.643
273 HD2 TYR 40 2HD TYR 40 0.065 -0.143 -0.318
274 HE1 TYR 40 1HE TYR 40 -3.379 0.844 3.051
275 HE2 TYR 40 2HE TYR 40 -0.829 -1.951 1.081
276 HH TYR 40 HH TYR 40 -3.608 -1.676 2.895
277 H TYR 41 H TYR 41 2.515 2.464 -1.398
278 HA TYR 41 HA TYR 41 2.807 5.218 -2.369
279 HB2 TYR 41 2HB TYR 41 4.788 4.445 -1.175
280 HB3 TYR 41 1HB TYR 41 4.849 2.992 -2.165
281 HD1 TYR 41 1HD TYR 41 4.823 6.708 -2.603
282 HD2 TYR 41 2HD TYR 41 6.346 2.957 -3.909
283 HE1 TYR 41 1HE TYR 41 6.291 7.868 -4.197
284 HE2 TYR 41 2HE TYR 41 7.819 4.102 -5.506
285 HH TYR 41 HH TYR 41 8.439 7.416 -5.379
286 H ASN 42 H ASN 42 2.105 5.503 -4.329
287 HA ASN 42 HA ASN 42 1.696 3.282 -6.146
288 HB2 ASN 42 1HB ASN 42 0.090 5.210 -5.951
289 HB3 ASN 42 2HB ASN 42 1.330 6.255 -6.630
290 HD21 ASN 42 1HD2 ASN 42 -1.118 4.900 -9.184
291 HD22 ASN 42 2HD2 ASN 42 -1.344 5.545 -7.597
292 H SER 43 H SER 43 3.353 2.526 -7.321
293 HA SER 43 HA SER 43 5.825 3.973 -7.382
294 HB2 SER 43 1HB SER 43 5.745 1.525 -7.144
295 HB3 SER 43 2HB SER 43 5.060 1.393 -8.762
296 HG SER 43 HG SER 43 7.024 2.530 -9.464
297 H LEU 44 H LEU 44 3.106 3.976 -9.397
298 HA LEU 44 HA LEU 44 4.606 4.614 -11.809
299 HB2 LEU 44 1HB LEU 44 2.623 3.215 -12.012
300 HB3 LEU 44 2HB LEU 44 1.640 4.467 -11.280
301 HG LEU 44 HG LEU 44 2.071 5.930 -13.221
302 HD11 LEU 44 1HD1 LEU 44 4.241 5.043 -13.882
303 HD12 LEU 44 2HD1 LEU 44 3.105 4.998 -15.229
304 HD13 LEU 44 3HD1 LEU 44 3.486 3.519 -14.350
305 HD21 LEU 44 1HD2 LEU 44 0.699 4.683 -14.826
306 HD22 LEU 44 2HD2 LEU 44 0.078 4.537 -13.182
307 HD23 LEU 44 3HD2 LEU 44 0.977 3.204 -13.906
308 H THR 45 H THR 45 2.351 6.207 -9.581
309 HA THR 45 HA THR 45 2.807 8.748 -10.960
310 HB THR 45 HB THR 45 0.865 8.371 -8.698
311 HG1 THR 45 1HG THR 45 0.259 7.845 -11.438
312 HG21 THR 45 1HG2 THR 45 1.216 10.638 -9.524
313 HG22 THR 45 2HG2 THR 45 -0.398 10.078 -9.961
314 HG23 THR 45 3HG2 THR 45 0.883 10.110 -11.173
315 H GLN 46 H GLN 46 3.996 7.026 -8.397
316 HA GLN 46 HA GLN 46 5.443 7.462 -6.721
317 HB2 GLN 46 1HB GLN 46 5.708 10.165 -8.049
318 HB3 GLN 46 2HB GLN 46 6.828 9.473 -6.882
319 HG2 GLN 46 1HG GLN 46 7.456 7.743 -8.414
320 HG3 GLN 46 2HG GLN 46 6.196 8.229 -9.550
321 HE21 GLN 46 1HE2 GLN 46 8.179 11.437 -9.942
322 HE22 GLN 46 2HE2 GLN 46 6.722 11.082 -9.083
323 H GLN 47 H GLN 47 2.638 7.988 -6.348
324 HA GLN 47 HA GLN 47 2.666 10.240 -4.456
325 HB2 GLN 47 1HB GLN 47 0.272 10.373 -4.734
326 HB3 GLN 47 2HB GLN 47 1.027 10.370 -6.319
327 HG2 GLN 47 1HG GLN 47 0.506 7.976 -6.535
328 HG3 GLN 47 2HG GLN 47 -0.303 8.036 -4.972
329 HE21 GLN 47 1HE2 GLN 47 -3.218 9.559 -6.168
330 HE22 GLN 47 2HE2 GLN 47 -2.251 9.178 -4.782
331 H TYR 48 H TYR 48 1.167 9.941 -2.567
332 HA TYR 48 HA TYR 48 1.438 7.212 -1.521
333 HB2 TYR 48 2HB TYR 48 1.776 9.882 -0.216
334 HB3 TYR 48 1HB TYR 48 1.272 8.501 0.753
335 HD1 TYR 48 1HD TYR 48 2.833 6.940 1.509
336 HD2 TYR 48 2HD TYR 48 3.944 9.689 -1.543
337 HE1 TYR 48 1HE TYR 48 5.159 6.195 1.703
338 HE2 TYR 48 2HE TYR 48 6.289 8.957 -1.348
339 HH TYR 48 HH TYR 48 7.758 7.878 0.323
340 H LEU 49 H LEU 49 -0.225 6.290 -0.450
341 HA LEU 49 HA LEU 49 -2.823 7.670 -0.534
342 HB2 LEU 49 1HB LEU 49 -2.262 4.917 -1.645
343 HB3 LEU 49 2HB LEU 49 -3.839 5.671 -1.541
344 HG LEU 49 HG LEU 49 -1.634 6.952 -3.126
345 HD11 LEU 49 1HD1 LEU 49 -2.492 5.826 -5.114
346 HD12 LEU 49 2HD1 LEU 49 -3.578 4.866 -4.107
347 HD13 LEU 49 3HD1 LEU 49 -1.831 4.671 -3.957
348 HD21 LEU 49 1HD2 LEU 49 -4.641 7.025 -3.311
349 HD22 LEU 49 2HD2 LEU 49 -3.515 7.917 -4.335
350 HD23 LEU 49 3HD2 LEU 49 -3.614 8.278 -2.611
351 H TYR 50 H TYR 50 -4.489 6.490 0.695
352 HA TYR 50 HA TYR 50 -3.489 4.451 2.541
353 HB2 TYR 50 2HB TYR 50 -4.425 5.509 4.483
354 HB3 TYR 50 1HB TYR 50 -3.395 6.694 3.690
355 HD1 TYR 50 1HD TYR 50 -6.776 5.842 4.692
356 HD2 TYR 50 2HD TYR 50 -4.414 8.592 2.466
357 HE1 TYR 50 1HE TYR 50 -8.660 7.417 4.655
358 HE2 TYR 50 2HE TYR 50 -6.288 10.178 2.427
359 HH TYR 50 HH TYR 50 -9.002 9.875 4.413
360 H TRP 51 H TRP 51 -5.241 3.187 3.481
361 HA TRP 51 HA TRP 51 -7.426 2.918 1.579
362 HB2 TRP 51 2HB TRP 51 -6.253 0.896 2.196
363 HB3 TRP 51 1HB TRP 51 -6.542 1.202 3.904
364 HD1 TRP 51 1HD TRP 51 -8.734 0.246 4.921
365 HE1 TRP 51 1HE TRP 51 -10.755 -1.044 3.974
366 HE3 TRP 51 3HE TRP 51 -7.754 0.748 -0.071
367 HZ2 TRP 51 2HZ TRP 51 -11.790 -1.745 1.457
368 HZ3 TRP 51 3HZ TRP 51 -9.314 -0.260 -1.682
369 HH2 TRP 51 2HH TRP 51 -11.290 -1.479 -0.932
370 H ASP 52 H ASP 52 -9.375 3.737 1.905
371 HA ASP 52 HA ASP 52 -10.202 4.395 4.649
372 HB2 ASP 52 1HB ASP 52 -10.349 6.258 3.043
373 HB3 ASP 52 2HB ASP 52 -11.399 5.288 2.012
374 H GLY 53 H GLY 53 -11.698 3.185 5.624
375 HA2 GLY 53 1HA GLY 53 -12.460 0.731 4.384
376 HA3 GLY 53 2HA GLY 53 -12.892 1.259 6.000
377 H GLU 54 H GLU 54 -14.003 3.800 4.658
378 HA GLU 54 HA GLU 54 -16.664 2.687 4.367
379 HB2 GLU 54 1HB GLU 54 -16.322 4.695 5.740
380 HB3 GLU 54 2HB GLU 54 -15.730 5.561 4.329
381 HG2 GLU 54 1HG GLU 54 -18.033 6.149 4.834
382 HG3 GLU 54 2HG GLU 54 -17.907 5.353 3.265
383 H LYS 55 H LYS 55 -14.467 4.734 2.461
384 HA LYS 55 HA LYS 55 -16.197 4.764 0.176
385 HB2 LYS 55 1HB LYS 55 -13.264 5.472 0.381
386 HB3 LYS 55 2HB LYS 55 -14.319 5.858 -0.970
387 HG2 LYS 55 1HG LYS 55 -15.656 7.293 0.470
388 HG3 LYS 55 2HG LYS 55 -14.619 6.891 1.841
389 HD2 LYS 55 1HD LYS 55 -12.699 7.857 0.653
390 HD3 LYS 55 2HD LYS 55 -13.757 8.283 -0.695
391 HE2 LYS 55 1HE LYS 55 -15.090 9.679 0.853
392 HE3 LYS 55 2HE LYS 55 -13.936 9.311 2.133
393 HZ1 LYS 55 1HZ LYS 55 -12.200 10.375 0.849
394 HZ2 LYS 55 2HZ LYS 55 -13.486 11.450 1.092
395 HZ3 LYS 55 3HZ LYS 55 -13.287 10.697 -0.414
396 H GLU 56 H GLU 56 -13.905 2.576 1.393
397 HA GLU 56 HA GLU 56 -12.906 0.696 0.632
398 HB2 GLU 56 1HB GLU 56 -15.220 0.748 -1.316
399 HB3 GLU 56 2HB GLU 56 -14.149 -0.627 -1.071
400 HG2 GLU 56 1HG GLU 56 -14.860 -0.774 1.258
401 HG3 GLU 56 2HG GLU 56 -15.925 0.610 1.022
402 H THR 57 H THR 57 -11.597 2.852 -0.141
403 HA THR 57 HA THR 57 -10.422 2.084 -2.660
404 HB THR 57 HB THR 57 -12.314 3.581 -3.330
405 HG1 THR 57 1HG THR 57 -10.865 5.056 -4.549
406 HG21 THR 57 1HG2 THR 57 -12.127 5.988 -2.875
407 HG22 THR 57 2HG2 THR 57 -10.747 5.680 -1.824
408 HG23 THR 57 3HG2 THR 57 -12.340 5.065 -1.389
409 H TYR 58 H TYR 58 -8.545 3.597 -3.174
410 HA TYR 58 HA TYR 58 -7.168 4.258 -0.668
411 HB2 TYR 58 2HB TYR 58 -6.062 3.863 -3.461
412 HB3 TYR 58 1HB TYR 58 -5.103 4.234 -2.034
413 HD1 TYR 58 1HD TYR 58 -4.718 2.543 -0.317
414 HD2 TYR 58 2HD TYR 58 -6.978 1.642 -3.812
415 HE1 TYR 58 1HE TYR 58 -4.492 0.139 0.159
416 HE2 TYR 58 2HE TYR 58 -6.756 -0.759 -3.342
417 HH TYR 58 HH TYR 58 -5.291 -2.264 -2.129
418 H VAL 59 H VAL 59 -7.053 6.302 -0.100
419 HA VAL 59 HA VAL 59 -7.498 8.393 -2.139
420 HB VAL 59 HB VAL 59 -7.649 9.054 0.749
421 HG11 VAL 59 1HG1 VAL 59 -9.501 10.470 0.012
422 HG12 VAL 59 2HG1 VAL 59 -9.349 9.809 -1.615
423 HG13 VAL 59 3HG1 VAL 59 -8.034 10.759 -0.923
424 HG21 VAL 59 1HG2 VAL 59 -8.834 6.933 0.748
425 HG22 VAL 59 2HG2 VAL 59 -9.825 7.467 -0.610
426 HG23 VAL 59 3HG2 VAL 59 -9.969 8.265 0.956
427 HA PRO 60 HA PRO 60 -3.311 9.777 -1.679
428 HB2 PRO 60 2HB PRO 60 -4.454 12.514 -1.675
429 HB3 PRO 60 1HB PRO 60 -3.221 11.807 -2.721
430 HG2 PRO 60 2HG PRO 60 -5.718 12.247 -3.584
431 HG3 PRO 60 1HG PRO 60 -4.765 10.859 -4.133
432 HD2 PRO 60 2HD PRO 60 -7.028 10.971 -2.216
433 HD3 PRO 60 1HD PRO 60 -6.553 9.681 -3.338
434 H ALA 61 H ALA 61 -2.228 9.755 0.137
435 HA ALA 61 HA ALA 61 -3.421 10.412 2.646
436 HB1 ALA 61 1HB ALA 61 -0.576 9.681 1.969
437 HB2 ALA 61 2HB ALA 61 -1.856 8.573 2.463
438 HB3 ALA 61 3HB ALA 61 -1.247 9.777 3.596
439 H ALA 62 H ALA 62 -1.228 12.025 0.460
440 HA ALA 62 HA ALA 62 -0.557 14.144 2.267
441 HB1 ALA 62 1HB ALA 62 0.406 15.240 0.307
442 HB2 ALA 62 2HB ALA 62 -0.345 14.041 -0.747
443 HB3 ALA 62 3HB ALA 62 0.913 13.552 0.388
444 H GLU 63 H GLU 63 -2.507 14.883 3.060
445 HA GLU 63 HA GLU 63 -4.775 15.453 1.498
446 HB2 GLU 63 1HB GLU 63 -4.010 16.476 4.238
447 HB3 GLU 63 2HB GLU 63 -5.610 16.620 3.516
448 HG2 GLU 63 1HG GLU 63 -5.817 14.203 3.443
449 HG3 GLU 63 2HG GLU 63 -4.194 14.029 4.104
450 H SER 64 H SER 64 -4.238 16.698 -0.212
451 HA SER 64 HA SER 64 -4.250 19.522 0.221
452 HB2 SER 64 1HB SER 64 -2.171 19.753 -1.345
453 HB3 SER 64 2HB SER 64 -1.916 19.446 0.374
454 HG SER 64 HG SER 64 -2.046 17.091 -0.504
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -9.928 -14.376 -7.390
2 H2 GLY 1 2H GLY 1 -11.365 -14.839 -8.163
3 H3 GLY 1 3H GLY 1 -10.577 -15.918 -7.121
4 HA2 GLY 1 1HA GLY 1 -11.021 -14.509 -5.233
5 HA3 GLY 1 2HA GLY 1 -11.794 -13.342 -6.298
6 H ALA 2 H ALA 2 -12.768 -15.049 -3.986
7 HA ALA 2 HA ALA 2 -15.240 -15.873 -5.296
8 HB1 ALA 2 1HB ALA 2 -13.704 -17.748 -3.499
9 HB2 ALA 2 2HB ALA 2 -13.854 -17.905 -5.250
10 HB3 ALA 2 3HB ALA 2 -15.283 -18.051 -4.225
11 H MET 3 H MET 3 -13.488 -15.740 -2.200
12 HA MET 3 HA MET 3 -15.997 -14.885 -0.911
13 HB2 MET 3 1HB MET 3 -13.549 -16.185 0.303
14 HB3 MET 3 2HB MET 3 -14.949 -15.635 1.212
15 HG2 MET 3 1HG MET 3 -16.355 -17.237 -0.004
16 HG3 MET 3 2HG MET 3 -14.934 -17.799 -0.883
17 HE1 MET 3 1HE MET 3 -15.527 -18.318 3.670
18 HE2 MET 3 2HE MET 3 -16.707 -17.547 2.608
19 HE3 MET 3 3HE MET 3 -15.158 -16.761 2.926
20 H GLY 4 H GLY 4 -15.956 -12.720 -1.116
21 HA2 GLY 4 1HA GLY 4 -14.928 -10.968 0.551
22 HA3 GLY 4 2HA GLY 4 -13.514 -11.250 -0.456
23 H THR 5 H THR 5 -14.516 -8.726 -0.312
24 HA THR 5 HA THR 5 -16.313 -8.265 -2.525
25 HB THR 5 HB THR 5 -15.843 -5.833 -1.987
26 HG1 THR 5 1HG THR 5 -14.682 -5.385 -0.131
27 HG21 THR 5 1HG2 THR 5 -16.842 -7.587 0.259
28 HG22 THR 5 2HG2 THR 5 -17.800 -6.985 -1.093
29 HG23 THR 5 3HG2 THR 5 -17.144 -5.859 0.095
30 H LYS 6 H LYS 6 -15.403 -6.121 -3.858
31 HA LYS 6 HA LYS 6 -13.397 -7.106 -5.587
32 HB2 LYS 6 1HB LYS 6 -14.321 -4.252 -5.179
33 HB3 LYS 6 2HB LYS 6 -13.370 -4.827 -6.540
34 HG2 LYS 6 1HG LYS 6 -15.186 -6.193 -7.308
35 HG3 LYS 6 2HG LYS 6 -16.133 -5.811 -5.868
36 HD2 LYS 6 1HD LYS 6 -16.919 -4.470 -7.713
37 HD3 LYS 6 2HD LYS 6 -16.113 -3.427 -6.541
38 HE2 LYS 6 1HE LYS 6 -14.070 -3.512 -7.933
39 HE3 LYS 6 2HE LYS 6 -14.953 -4.469 -9.123
40 HZ1 LYS 6 1HZ LYS 6 -15.009 -2.232 -9.842
41 HZ2 LYS 6 2HZ LYS 6 -15.468 -1.661 -8.313
42 HZ3 LYS 6 3HZ LYS 6 -16.561 -2.571 -9.241
43 H TYR 7 H TYR 7 -13.310 -4.488 -3.195
44 HA TYR 7 HA TYR 7 -10.477 -5.094 -2.726
45 HB2 TYR 7 2HB TYR 7 -11.672 -2.332 -3.064
46 HB3 TYR 7 1HB TYR 7 -10.040 -2.649 -2.489
47 HD1 TYR 7 1HD TYR 7 -8.361 -3.643 -4.038
48 HD2 TYR 7 2HD TYR 7 -12.204 -2.405 -5.385
49 HE1 TYR 7 1HE TYR 7 -7.552 -3.675 -6.360
50 HE2 TYR 7 2HE TYR 7 -11.404 -2.434 -7.709
51 HH TYR 7 HH TYR 7 -8.484 -3.895 -8.628
52 H ALA 8 H ALA 8 -10.709 -6.010 -0.759
53 HA ALA 8 HA ALA 8 -12.437 -4.750 1.223
54 HB1 ALA 8 1HB ALA 8 -12.579 -7.176 0.957
55 HB2 ALA 8 2HB ALA 8 -12.021 -6.740 2.572
56 HB3 ALA 8 3HB ALA 8 -10.871 -7.323 1.368
57 H VAL 9 H VAL 9 -11.365 -4.983 3.564
58 HA VAL 9 HA VAL 9 -9.273 -3.092 3.651
59 HB VAL 9 HB VAL 9 -9.151 -3.713 6.108
60 HG11 VAL 9 1HG1 VAL 9 -11.853 -3.000 4.984
61 HG12 VAL 9 2HG1 VAL 9 -10.519 -1.878 5.252
62 HG13 VAL 9 3HG1 VAL 9 -11.291 -2.674 6.624
63 HG21 VAL 9 1HG2 VAL 9 -11.451 -5.494 5.320
64 HG22 VAL 9 2HG2 VAL 9 -11.014 -5.080 6.978
65 HG23 VAL 9 3HG2 VAL 9 -9.900 -6.014 5.978
66 HA PRO 10 HA PRO 10 -6.077 -5.868 2.456
67 HB2 PRO 10 2HB PRO 10 -4.004 -4.125 2.829
68 HB3 PRO 10 1HB PRO 10 -5.061 -4.129 1.415
69 HG2 PRO 10 2HG PRO 10 -5.127 -2.376 3.830
70 HG3 PRO 10 1HG PRO 10 -5.420 -1.965 2.131
71 HD2 PRO 10 2HD PRO 10 -7.422 -2.304 3.915
72 HD3 PRO 10 1HD PRO 10 -7.595 -2.702 2.196
73 H ASP 11 H ASP 11 -5.074 -7.392 3.459
74 HA ASP 11 HA ASP 11 -4.162 -7.028 6.216
75 HB2 ASP 11 1HB ASP 11 -4.411 -9.564 4.577
76 HB3 ASP 11 2HB ASP 11 -3.962 -9.472 6.273
77 H THR 12 H THR 12 -2.073 -6.647 6.536
78 HA THR 12 HA THR 12 -0.286 -6.495 4.338
79 HB THR 12 HB THR 12 1.402 -5.903 6.130
80 HG1 THR 12 1HG THR 12 0.770 -6.663 8.030
81 HG21 THR 12 1HG2 THR 12 -1.228 -4.423 5.982
82 HG22 THR 12 2HG2 THR 12 0.194 -4.174 4.966
83 HG23 THR 12 3HG2 THR 12 0.251 -3.755 6.679
84 H SER 13 H SER 13 -1.175 -9.055 6.349
85 HA SER 13 HA SER 13 1.235 -10.553 6.346
86 HB2 SER 13 1HB SER 13 -0.593 -11.050 7.894
87 HB3 SER 13 2HB SER 13 -1.648 -11.467 6.546
88 HG SER 13 HG SER 13 0.809 -12.811 7.019
89 H THR 14 H THR 14 -1.040 -9.831 3.879
90 HA THR 14 HA THR 14 -0.229 -12.149 2.291
91 HB THR 14 HB THR 14 -1.920 -11.398 0.651
92 HG1 THR 14 1HG THR 14 -2.339 -9.314 2.555
93 HG21 THR 14 1HG2 THR 14 -3.908 -11.845 2.033
94 HG22 THR 14 2HG2 THR 14 -2.938 -11.612 3.487
95 HG23 THR 14 3HG2 THR 14 -2.589 -12.956 2.399
96 H TYR 15 H TYR 15 1.243 -9.459 2.977
97 HA TYR 15 HA TYR 15 1.762 -8.469 0.288
98 HB2 TYR 15 2HB TYR 15 2.656 -7.532 3.012
99 HB3 TYR 15 1HB TYR 15 3.234 -6.817 1.513
100 HD1 TYR 15 1HD TYR 15 2.262 -4.779 2.854
101 HD2 TYR 15 2HD TYR 15 -0.106 -7.820 1.064
102 HE1 TYR 15 1HE TYR 15 0.334 -3.256 2.830
103 HE2 TYR 15 2HE TYR 15 -2.042 -6.309 1.038
104 HH TYR 15 HH TYR 15 -1.861 -3.134 1.270
105 H GLN 16 H GLN 16 3.987 -8.064 -0.366
106 HA GLN 16 HA GLN 16 5.838 -10.165 0.586
107 HB2 GLN 16 1HB GLN 16 5.730 -8.871 -2.145
108 HB3 GLN 16 2HB GLN 16 6.845 -10.129 -1.642
109 HG2 GLN 16 1HG GLN 16 4.976 -11.688 -1.406
110 HG3 GLN 16 2HG GLN 16 3.862 -10.414 -1.914
111 HE21 GLN 16 1HE2 GLN 16 4.220 -11.775 -5.116
112 HE22 GLN 16 2HE2 GLN 16 3.202 -11.613 -3.722
113 H TYR 17 H TYR 17 7.211 -9.094 1.971
114 HA TYR 17 HA TYR 17 7.815 -6.349 1.723
115 HB2 TYR 17 2HB TYR 17 8.098 -7.607 3.846
116 HB3 TYR 17 1HB TYR 17 9.478 -8.446 3.138
117 HD1 TYR 17 1HD TYR 17 8.251 -4.962 3.685
118 HD2 TYR 17 2HD TYR 17 11.591 -7.592 3.571
119 HE1 TYR 17 1HE TYR 17 9.716 -3.120 4.391
120 HE2 TYR 17 2HE TYR 17 13.068 -5.758 4.278
121 HH TYR 17 HH TYR 17 13.161 -3.374 4.320
122 H ASP 18 H ASP 18 8.850 -5.435 0.134
123 HA ASP 18 HA ASP 18 10.841 -6.892 -1.402
124 HB2 ASP 18 1HB ASP 18 9.071 -5.320 -2.403
125 HB3 ASP 18 2HB ASP 18 10.036 -4.003 -1.752
126 H GLU 19 H GLU 19 12.641 -7.086 -0.161
127 HA GLU 19 HA GLU 19 13.521 -5.101 1.660
128 HB2 GLU 19 1HB GLU 19 15.469 -6.527 1.971
129 HB3 GLU 19 2HB GLU 19 13.992 -7.472 1.943
130 HG2 GLU 19 1HG GLU 19 14.431 -8.144 -0.348
131 HG3 GLU 19 2HG GLU 19 15.911 -7.185 -0.345
132 H SER 20 H SER 20 13.918 -5.515 -1.675
133 HA SER 20 HA SER 20 16.365 -3.977 -1.838
134 HB2 SER 20 1HB SER 20 15.852 -5.889 -3.373
135 HB3 SER 20 2HB SER 20 14.553 -4.925 -4.069
136 HG SER 20 HG SER 20 16.102 -4.292 -5.370
137 H SER 21 H SER 21 13.011 -3.387 -1.706
138 HA SER 21 HA SER 21 13.407 -0.673 -2.785
139 HB2 SER 21 1HB SER 21 11.608 -1.936 -3.872
140 HB3 SER 21 2HB SER 21 10.835 -2.205 -2.311
141 HG SER 21 HG SER 21 10.310 -0.266 -3.888
142 H GLY 22 H GLY 22 12.450 -2.529 0.011
143 HA2 GLY 22 1HA GLY 22 12.795 -1.795 2.228
144 HA3 GLY 22 2HA GLY 22 12.783 -0.132 1.661
145 H TYR 23 H TYR 23 10.286 -1.984 0.348
146 HA TYR 23 HA TYR 23 8.385 -1.083 2.400
147 HB2 TYR 23 2HB TYR 23 8.054 -0.712 -0.585
148 HB3 TYR 23 1HB TYR 23 6.836 -0.342 0.629
149 HD1 TYR 23 1HD TYR 23 9.283 1.049 -1.408
150 HD2 TYR 23 2HD TYR 23 7.756 1.288 2.556
151 HE1 TYR 23 1HE TYR 23 10.193 3.323 -1.197
152 HE2 TYR 23 2HE TYR 23 8.661 3.559 2.776
153 HH TYR 23 HH TYR 23 9.730 5.379 0.169
154 H TYR 24 H TYR 24 6.354 -2.212 2.373
155 HA TYR 24 HA TYR 24 6.566 -4.974 1.563
156 HB2 TYR 24 2HB TYR 24 4.425 -3.357 2.932
157 HB3 TYR 24 1HB TYR 24 4.140 -5.015 2.420
158 HD1 TYR 24 1HD TYR 24 5.852 -2.862 4.833
159 HD2 TYR 24 2HD TYR 24 5.296 -6.862 3.498
160 HE1 TYR 24 1HE TYR 24 6.828 -3.695 6.933
161 HE2 TYR 24 2HE TYR 24 6.268 -7.706 5.587
162 HH TYR 24 HH TYR 24 6.678 -5.833 8.317
163 H TYR 25 H TYR 25 6.107 -5.641 -0.446
164 HA TYR 25 HA TYR 25 4.699 -3.922 -2.260
165 HB2 TYR 25 2HB TYR 25 6.497 -5.248 -3.154
166 HB3 TYR 25 1HB TYR 25 5.762 -6.734 -2.565
167 HD1 TYR 25 1HD TYR 25 4.945 -3.843 -4.790
168 HD2 TYR 25 2HD TYR 25 4.565 -8.020 -4.067
169 HE1 TYR 25 1HE TYR 25 3.765 -4.104 -6.933
170 HE2 TYR 25 2HE TYR 25 3.383 -8.291 -6.206
171 HH TYR 25 HH TYR 25 3.368 -5.980 -8.605
172 H ASP 26 H ASP 26 2.621 -3.773 -2.424
173 HA ASP 26 HA ASP 26 0.798 -5.789 -1.429
174 HB2 ASP 26 1HB ASP 26 0.252 -3.254 -3.010
175 HB3 ASP 26 2HB ASP 26 -0.963 -4.262 -2.243
176 HA PRO 27 HA PRO 27 1.057 -7.583 -5.597
177 HB2 PRO 27 2HB PRO 27 0.005 -10.022 -4.477
178 HB3 PRO 27 1HB PRO 27 1.640 -9.702 -5.050
179 HG2 PRO 27 2HG PRO 27 0.999 -10.143 -2.419
180 HG3 PRO 27 1HG PRO 27 2.414 -9.227 -2.963
181 HD2 PRO 27 2HD PRO 27 -0.224 -8.220 -1.975
182 HD3 PRO 27 1HD PRO 27 1.412 -7.602 -1.651
183 H THR 28 H THR 28 -1.483 -7.203 -3.391
184 HA THR 28 HA THR 28 -3.609 -8.300 -4.948
185 HB THR 28 HB THR 28 -4.992 -6.882 -3.278
186 HG1 THR 28 1HG THR 28 -3.821 -6.118 -1.518
187 HG21 THR 28 1HG2 THR 28 -4.694 -9.299 -3.076
188 HG22 THR 28 2HG2 THR 28 -4.613 -8.530 -1.491
189 HG23 THR 28 3HG2 THR 28 -3.134 -9.052 -2.295
190 H THR 29 H THR 29 -2.524 -4.977 -4.244
191 HA THR 29 HA THR 29 -4.327 -4.021 -6.357
192 HB THR 29 HB THR 29 -2.931 -2.312 -4.294
193 HG1 THR 29 1HG THR 29 -5.508 -3.540 -4.184
194 HG21 THR 29 1HG2 THR 29 -5.391 -1.860 -5.993
195 HG22 THR 29 2HG2 THR 29 -3.805 -1.133 -6.255
196 HG23 THR 29 3HG2 THR 29 -4.732 -0.731 -4.811
197 H GLY 30 H GLY 30 -0.970 -4.245 -5.455
198 HA2 GLY 30 1HA GLY 30 0.815 -4.042 -7.001
199 HA3 GLY 30 2HA GLY 30 -0.208 -3.028 -8.012
200 H LEU 31 H LEU 31 0.510 -2.802 -4.558
201 HA LEU 31 HA LEU 31 1.595 -0.094 -5.020
202 HB2 LEU 31 1HB LEU 31 -0.316 -0.985 -2.854
203 HB3 LEU 31 2HB LEU 31 0.487 0.573 -2.883
204 HG LEU 31 HG LEU 31 -1.527 -0.430 -4.899
205 HD11 LEU 31 1HD1 LEU 31 -2.531 0.176 -2.778
206 HD12 LEU 31 2HD1 LEU 31 -2.922 1.380 -4.006
207 HD13 LEU 31 3HD1 LEU 31 -1.686 1.723 -2.798
208 HD21 LEU 31 1HD2 LEU 31 0.155 0.975 -5.972
209 HD22 LEU 31 2HD2 LEU 31 -0.085 2.218 -4.747
210 HD23 LEU 31 3HD2 LEU 31 -1.389 1.820 -5.866
211 H TYR 32 H TYR 32 2.381 0.594 -2.575
212 HA TYR 32 HA TYR 32 3.853 -1.653 -1.414
213 HB2 TYR 32 2HB TYR 32 4.963 0.982 -2.356
214 HB3 TYR 32 1HB TYR 32 5.748 0.095 -1.061
215 HD1 TYR 32 1HD TYR 32 6.852 -2.043 -1.514
216 HD2 TYR 32 2HD TYR 32 5.036 0.202 -4.637
217 HE1 TYR 32 1HE TYR 32 8.060 -3.389 -3.176
218 HE2 TYR 32 2HE TYR 32 6.236 -1.141 -6.309
219 HH TYR 32 HH TYR 32 7.845 -4.034 -5.550
220 H TYR 33 H TYR 33 3.426 -1.764 0.690
221 HA TYR 33 HA TYR 33 2.373 0.556 2.093
222 HB2 TYR 33 2HB TYR 33 1.227 -1.521 2.501
223 HB3 TYR 33 1HB TYR 33 2.734 -2.339 2.896
224 HD1 TYR 33 1HD TYR 33 0.259 0.131 4.092
225 HD2 TYR 33 2HD TYR 33 3.673 -2.208 5.089
226 HE1 TYR 33 1HE TYR 33 -0.079 0.653 6.472
227 HE2 TYR 33 2HE TYR 33 3.340 -1.694 7.464
228 HH TYR 33 HH TYR 33 0.515 -0.363 8.687
229 H ASP 34 H ASP 34 3.650 1.910 3.140
230 HA ASP 34 HA ASP 34 6.365 1.125 3.824
231 HB2 ASP 34 1HB ASP 34 6.025 3.385 2.924
232 HB3 ASP 34 2HB ASP 34 4.922 3.755 4.242
233 HA PRO 35 HA PRO 35 4.948 -0.247 7.856
234 HB2 PRO 35 2HB PRO 35 7.534 -0.595 8.795
235 HB3 PRO 35 1HB PRO 35 6.567 -1.826 7.976
236 HG2 PRO 35 2HG PRO 35 8.737 -0.104 6.909
237 HG3 PRO 35 1HG PRO 35 8.291 -1.758 6.465
238 HD2 PRO 35 2HD PRO 35 7.703 0.397 4.931
239 HD3 PRO 35 1HD PRO 35 6.687 -1.057 4.980
240 H ASN 36 H ASN 36 7.179 2.339 7.124
241 HA ASN 36 HA ASN 36 7.376 3.165 9.893
242 HB2 ASN 36 1HB ASN 36 9.257 3.362 8.204
243 HB3 ASN 36 2HB ASN 36 8.354 4.686 7.477
244 HD21 ASN 36 1HD2 ASN 36 9.330 5.406 11.350
245 HD22 ASN 36 2HD2 ASN 36 8.465 3.978 10.894
246 H SER 37 H SER 37 6.123 4.635 6.889
247 HA SER 37 HA SER 37 4.788 6.726 8.346
248 HB2 SER 37 1HB SER 37 4.479 5.912 5.452
249 HB3 SER 37 2HB SER 37 3.994 7.445 6.164
250 HG SER 37 HG SER 37 6.594 6.434 5.695
251 H GLN 38 H GLN 38 4.018 3.558 7.316
252 HA GLN 38 HA GLN 38 2.182 2.253 7.375
253 HB2 GLN 38 1HB GLN 38 1.074 4.454 9.123
254 HB3 GLN 38 2HB GLN 38 0.276 2.911 8.840
255 HG2 GLN 38 1HG GLN 38 2.121 1.728 9.854
256 HG3 GLN 38 2HG GLN 38 3.004 3.240 10.066
257 HE21 GLN 38 1HE2 GLN 38 0.186 4.248 12.381
258 HE22 GLN 38 2HE2 GLN 38 0.552 4.688 10.747
259 H TYR 39 H TYR 39 2.599 4.349 5.367
260 HA TYR 39 HA TYR 39 -0.161 4.597 4.377
261 HB2 TYR 39 2HB TYR 39 2.260 6.329 3.885
262 HB3 TYR 39 1HB TYR 39 0.827 6.401 2.870
263 HD1 TYR 39 1HD TYR 39 -1.432 6.758 4.154
264 HD2 TYR 39 2HD TYR 39 2.396 7.739 5.725
265 HE1 TYR 39 1HE TYR 39 -2.485 8.328 5.720
266 HE2 TYR 39 2HE TYR 39 1.352 9.314 7.297
267 HH TYR 39 HH TYR 39 -2.123 9.510 7.672
268 H TYR 40 H TYR 40 -0.249 4.610 1.944
269 HA TYR 40 HA TYR 40 1.340 2.350 0.963
270 HB2 TYR 40 2HB TYR 40 -1.311 3.491 0.059
271 HB3 TYR 40 1HB TYR 40 -0.455 2.207 -0.794
272 HD1 TYR 40 1HD TYR 40 -2.274 3.073 2.284
273 HD2 TYR 40 2HD TYR 40 -0.376 -0.020 0.066
274 HE1 TYR 40 1HE TYR 40 -3.283 1.395 3.774
275 HE2 TYR 40 2HE TYR 40 -1.379 -1.703 1.541
276 HH TYR 40 HH TYR 40 -2.415 -2.002 3.551
277 H TYR 41 H TYR 41 2.380 2.420 -0.980
278 HA TYR 41 HA TYR 41 2.794 5.111 -2.094
279 HB2 TYR 41 2HB TYR 41 4.795 4.365 -0.954
280 HB3 TYR 41 1HB TYR 41 4.730 2.809 -1.770
281 HD1 TYR 41 1HD TYR 41 4.724 6.415 -2.796
282 HD2 TYR 41 2HD TYR 41 6.307 2.514 -3.404
283 HE1 TYR 41 1HE TYR 41 6.158 7.284 -4.592
284 HE2 TYR 41 2HE TYR 41 7.749 3.368 -5.197
285 HH TYR 41 HH TYR 41 7.835 5.244 -6.756
286 H ASN 42 H ASN 42 1.801 5.245 -3.970
287 HA ASN 42 HA ASN 42 1.420 3.002 -5.726
288 HB2 ASN 42 1HB ASN 42 -0.107 5.019 -5.636
289 HB3 ASN 42 2HB ASN 42 1.184 5.957 -6.372
290 HD21 ASN 42 1HD2 ASN 42 -1.269 4.684 -8.901
291 HD22 ASN 42 2HD2 ASN 42 -1.455 5.495 -7.386
292 H SER 43 H SER 43 3.251 2.124 -6.555
293 HA SER 43 HA SER 43 5.630 3.670 -6.872
294 HB2 SER 43 1HB SER 43 5.216 1.057 -6.432
295 HB3 SER 43 2HB SER 43 5.422 1.008 -8.182
296 HG SER 43 HG SER 43 7.474 1.587 -7.990
297 H LEU 44 H LEU 44 2.947 3.002 -8.871
298 HA LEU 44 HA LEU 44 4.322 3.293 -11.381
299 HB2 LEU 44 1HB LEU 44 2.313 1.900 -11.165
300 HB3 LEU 44 2HB LEU 44 1.376 3.310 -10.719
301 HG LEU 44 HG LEU 44 1.827 4.274 -12.964
302 HD11 LEU 44 1HD1 LEU 44 3.012 1.562 -13.525
303 HD12 LEU 44 2HD1 LEU 44 3.889 3.092 -13.468
304 HD13 LEU 44 3HD1 LEU 44 2.681 2.813 -14.723
305 HD21 LEU 44 1HD2 LEU 44 -0.245 3.069 -12.492
306 HD22 LEU 44 2HD2 LEU 44 0.526 1.554 -12.968
307 HD23 LEU 44 3HD2 LEU 44 0.274 2.831 -14.160
308 H THR 45 H THR 45 2.278 5.317 -9.317
309 HA THR 45 HA THR 45 2.657 7.557 -11.172
310 HB THR 45 HB THR 45 0.855 7.599 -8.763
311 HG1 THR 45 1HG THR 45 -0.678 7.064 -10.771
312 HG21 THR 45 1HG2 THR 45 0.766 9.017 -11.431
313 HG22 THR 45 2HG2 THR 45 1.266 9.726 -9.895
314 HG23 THR 45 3HG2 THR 45 -0.404 9.209 -10.124
315 H GLN 46 H GLN 46 3.855 6.294 -8.317
316 HA GLN 46 HA GLN 46 5.334 6.974 -6.762
317 HB2 GLN 46 1HB GLN 46 5.770 9.301 -8.638
318 HB3 GLN 46 2HB GLN 46 6.825 8.853 -7.304
319 HG2 GLN 46 1HG GLN 46 7.301 6.724 -8.363
320 HG3 GLN 46 2HG GLN 46 6.200 7.115 -9.682
321 HE21 GLN 46 1HE2 GLN 46 8.594 9.906 -10.550
322 HE22 GLN 46 2HE2 GLN 46 7.034 9.914 -9.796
323 H GLN 47 H GLN 47 3.153 7.266 -5.672
324 HA GLN 47 HA GLN 47 3.120 9.878 -4.389
325 HB2 GLN 47 1HB GLN 47 0.775 10.270 -4.767
326 HB3 GLN 47 2HB GLN 47 1.553 10.024 -6.326
327 HG2 GLN 47 1HG GLN 47 0.716 7.767 -6.434
328 HG3 GLN 47 2HG GLN 47 0.010 7.924 -4.826
329 HE21 GLN 47 1HE2 GLN 47 -2.814 9.691 -5.880
330 HE22 GLN 47 2HE2 GLN 47 -1.797 9.259 -4.543
331 H TYR 48 H TYR 48 1.476 9.839 -2.514
332 HA TYR 48 HA TYR 48 1.569 7.151 -1.323
333 HB2 TYR 48 2HB TYR 48 2.073 9.848 -0.136
334 HB3 TYR 48 1HB TYR 48 1.453 8.554 0.890
335 HD1 TYR 48 1HD TYR 48 4.227 9.379 -1.457
336 HD2 TYR 48 2HD TYR 48 2.893 6.956 1.777
337 HE1 TYR 48 1HE TYR 48 6.496 8.468 -1.208
338 HE2 TYR 48 2HE TYR 48 5.157 6.037 2.035
339 HH TYR 48 HH TYR 48 7.182 5.754 0.798
340 H LEU 49 H LEU 49 -0.125 6.408 -0.121
341 HA LEU 49 HA LEU 49 -2.671 7.850 -0.343
342 HB2 LEU 49 1HB LEU 49 -2.181 5.036 -1.333
343 HB3 LEU 49 2HB LEU 49 -3.738 5.839 -1.282
344 HG LEU 49 HG LEU 49 -1.454 6.938 -2.901
345 HD11 LEU 49 1HD1 LEU 49 -2.418 5.830 -4.845
346 HD12 LEU 49 2HD1 LEU 49 -3.590 5.017 -3.810
347 HD13 LEU 49 3HD1 LEU 49 -1.871 4.650 -3.653
348 HD21 LEU 49 1HD2 LEU 49 -4.443 7.258 -3.059
349 HD22 LEU 49 2HD2 LEU 49 -3.256 8.047 -4.100
350 HD23 LEU 49 3HD2 LEU 49 -3.317 8.432 -2.377
351 H TYR 50 H TYR 50 -4.416 6.681 0.866
352 HA TYR 50 HA TYR 50 -3.459 4.665 2.747
353 HB2 TYR 50 2HB TYR 50 -4.468 5.714 4.673
354 HB3 TYR 50 1HB TYR 50 -3.356 6.857 3.939
355 HD1 TYR 50 1HD TYR 50 -6.826 6.151 4.776
356 HD2 TYR 50 2HD TYR 50 -4.228 8.850 2.753
357 HE1 TYR 50 1HE TYR 50 -8.609 7.838 4.755
358 HE2 TYR 50 2HE TYR 50 -6.007 10.548 2.735
359 HH TYR 50 HH TYR 50 -8.357 10.759 2.916
360 H TRP 51 H TRP 51 -5.042 3.189 3.370
361 HA TRP 51 HA TRP 51 -7.206 2.944 1.509
362 HB2 TRP 51 2HB TRP 51 -6.061 0.938 2.146
363 HB3 TRP 51 1HB TRP 51 -6.317 1.266 3.858
364 HD1 TRP 51 1HD TRP 51 -8.471 0.308 4.935
365 HE1 TRP 51 1HE TRP 51 -10.517 -0.978 4.053
366 HE3 TRP 51 3HE TRP 51 -7.616 0.761 -0.087
367 HZ2 TRP 51 2HZ TRP 51 -11.614 -1.712 1.567
368 HZ3 TRP 51 3HZ TRP 51 -9.214 -0.267 -1.650
369 HH2 TRP 51 2HH TRP 51 -11.170 -1.477 -0.835
370 H ASP 52 H ASP 52 -8.999 4.100 1.754
371 HA ASP 52 HA ASP 52 -10.085 4.491 4.445
372 HB2 ASP 52 1HB ASP 52 -10.037 6.469 2.979
373 HB3 ASP 52 2HB ASP 52 -11.016 5.621 1.787
374 H GLY 53 H GLY 53 -11.479 3.063 5.200
375 HA2 GLY 53 1HA GLY 53 -12.382 0.883 3.616
376 HA3 GLY 53 2HA GLY 53 -12.830 1.210 5.283
377 H GLU 54 H GLU 54 -13.772 3.948 4.423
378 HA GLU 54 HA GLU 54 -16.506 3.224 4.047
379 HB2 GLU 54 1HB GLU 54 -15.935 5.162 5.362
380 HB3 GLU 54 2HB GLU 54 -15.062 5.878 4.019
381 HG2 GLU 54 1HG GLU 54 -17.232 5.990 2.785
382 HG3 GLU 54 2HG GLU 54 -18.027 5.493 4.278
383 H LYS 55 H LYS 55 -14.062 4.811 2.045
384 HA LYS 55 HA LYS 55 -15.865 4.964 -0.223
385 HB2 LYS 55 1HB LYS 55 -12.953 5.733 0.008
386 HB3 LYS 55 2HB LYS 55 -14.039 6.160 -1.309
387 HG2 LYS 55 1HG LYS 55 -15.353 7.535 0.136
388 HG3 LYS 55 2HG LYS 55 -14.456 6.987 1.551
389 HD2 LYS 55 1HD LYS 55 -12.444 8.048 0.716
390 HD3 LYS 55 2HD LYS 55 -13.286 8.535 -0.759
391 HE2 LYS 55 1HE LYS 55 -13.097 10.368 0.868
392 HE3 LYS 55 2HE LYS 55 -14.773 9.951 0.517
393 HZ1 LYS 55 1HZ LYS 55 -13.221 9.141 2.921
394 HZ2 LYS 55 2HZ LYS 55 -14.809 8.650 2.583
395 HZ3 LYS 55 3HZ LYS 55 -14.473 10.286 2.872
396 H GLU 56 H GLU 56 -13.632 2.766 1.009
397 HA GLU 56 HA GLU 56 -12.682 0.843 0.271
398 HB2 GLU 56 1HB GLU 56 -14.795 1.084 -1.879
399 HB3 GLU 56 2HB GLU 56 -13.805 -0.342 -1.610
400 HG2 GLU 56 1HG GLU 56 -14.767 -0.639 0.589
401 HG3 GLU 56 2HG GLU 56 -15.702 0.845 0.402
402 H THR 57 H THR 57 -11.357 3.149 -0.422
403 HA THR 57 HA THR 57 -9.972 2.299 -2.820
404 HB THR 57 HB THR 57 -11.746 3.806 -3.684
405 HG1 THR 57 1HG THR 57 -9.398 3.758 -4.464
406 HG21 THR 57 1HG2 THR 57 -12.014 5.243 -1.727
407 HG22 THR 57 2HG2 THR 57 -11.670 6.201 -3.166
408 HG23 THR 57 3HG2 THR 57 -10.398 5.903 -1.980
409 H TYR 58 H TYR 58 -7.898 3.270 -3.049
410 HA TYR 58 HA TYR 58 -6.768 4.221 -0.548
411 HB2 TYR 58 2HB TYR 58 -5.423 3.697 -3.202
412 HB3 TYR 58 1HB TYR 58 -4.608 4.016 -1.680
413 HD1 TYR 58 1HD TYR 58 -6.334 1.518 -3.692
414 HD2 TYR 58 2HD TYR 58 -4.593 2.322 0.104
415 HE1 TYR 58 1HE TYR 58 -6.307 -0.890 -3.203
416 HE2 TYR 58 2HE TYR 58 -4.559 -0.086 0.605
417 HH TYR 58 HH TYR 58 -5.036 -2.456 -1.740
418 H VAL 59 H VAL 59 -7.088 6.270 -0.139
419 HA VAL 59 HA VAL 59 -7.152 8.205 -2.336
420 HB VAL 59 HB VAL 59 -8.049 9.726 -0.411
421 HG11 VAL 59 1HG1 VAL 59 -10.335 8.948 -0.856
422 HG12 VAL 59 2HG1 VAL 59 -9.686 7.458 -1.541
423 HG13 VAL 59 3HG1 VAL 59 -9.368 9.002 -2.330
424 HG21 VAL 59 1HG2 VAL 59 -9.264 8.505 1.322
425 HG22 VAL 59 2HG2 VAL 59 -7.533 8.179 1.413
426 HG23 VAL 59 3HG2 VAL 59 -8.621 6.983 0.709
427 HA PRO 60 HA PRO 60 -3.259 9.932 -1.423
428 HB2 PRO 60 2HB PRO 60 -4.504 12.610 -1.699
429 HB3 PRO 60 1HB PRO 60 -3.160 11.895 -2.595
430 HG2 PRO 60 2HG PRO 60 -5.567 12.170 -3.717
431 HG3 PRO 60 1HG PRO 60 -4.565 10.744 -4.037
432 HD2 PRO 60 2HD PRO 60 -6.936 11.028 -2.241
433 HD3 PRO 60 1HD PRO 60 -6.466 9.678 -3.291
434 H ALA 61 H ALA 61 -2.283 10.176 0.425
435 HA ALA 61 HA ALA 61 -3.607 11.159 2.779
436 HB1 ALA 61 1HB ALA 61 -0.717 10.416 2.345
437 HB2 ALA 61 2HB ALA 61 -1.989 9.333 2.909
438 HB3 ALA 61 3HB ALA 61 -1.487 10.703 3.904
439 H ALA 62 H ALA 62 -2.105 12.608 0.205
440 HA ALA 62 HA ALA 62 -0.980 14.860 1.625
441 HB1 ALA 62 1HB ALA 62 -0.427 15.713 -0.588
442 HB2 ALA 62 2HB ALA 62 -1.364 14.423 -1.339
443 HB3 ALA 62 3HB ALA 62 0.094 14.038 -0.421
444 H GLU 63 H GLU 63 -2.733 15.745 2.698
445 HA GLU 63 HA GLU 63 -5.112 16.513 1.233
446 HB2 GLU 63 1HB GLU 63 -4.301 17.036 4.100
447 HB3 GLU 63 2HB GLU 63 -5.879 17.388 3.410
448 HG2 GLU 63 1HG GLU 63 -4.696 14.630 3.495
449 HG3 GLU 63 2HG GLU 63 -5.717 15.287 4.772
450 H SER 64 H SER 64 -2.080 17.818 1.903
451 HA SER 64 HA SER 64 -2.905 20.368 0.768
452 HB2 SER 64 1HB SER 64 -1.344 21.519 2.471
453 HB3 SER 64 2HB SER 64 -2.933 21.005 3.040
454 HG SER 64 HG SER 64 -1.512 18.939 3.481
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -26.314 -11.676 -6.446
2 H2 GLY 1 2H GLY 1 -25.293 -12.169 -7.708
3 H3 GLY 1 3H GLY 1 -26.251 -10.778 -7.884
4 HA2 GLY 1 1HA GLY 1 -25.013 -9.629 -6.203
5 HA3 GLY 1 2HA GLY 1 -24.071 -11.084 -5.898
6 H ALA 2 H ALA 2 -22.120 -10.961 -6.711
7 HA ALA 2 HA ALA 2 -20.415 -10.774 -8.192
8 HB1 ALA 2 1HB ALA 2 -21.910 -11.730 -9.879
9 HB2 ALA 2 2HB ALA 2 -20.819 -10.532 -10.575
10 HB3 ALA 2 3HB ALA 2 -22.504 -10.115 -10.265
11 H MET 3 H MET 3 -18.973 -9.245 -8.658
12 HA MET 3 HA MET 3 -17.982 -7.207 -8.777
13 HB2 MET 3 1HB MET 3 -20.721 -6.270 -9.654
14 HB3 MET 3 2HB MET 3 -19.262 -5.292 -9.716
15 HG2 MET 3 1HG MET 3 -18.272 -6.802 -11.315
16 HG3 MET 3 2HG MET 3 -19.661 -7.880 -11.197
17 HE1 MET 3 1HE MET 3 -18.379 -4.356 -12.443
18 HE2 MET 3 2HE MET 3 -19.608 -3.973 -11.237
19 HE3 MET 3 3HE MET 3 -19.897 -3.611 -12.940
20 H GLY 4 H GLY 4 -19.350 -8.186 -6.345
21 HA2 GLY 4 1HA GLY 4 -20.165 -5.710 -5.024
22 HA3 GLY 4 2HA GLY 4 -20.227 -7.327 -4.333
23 H THR 5 H THR 5 -18.396 -8.202 -3.378
24 HA THR 5 HA THR 5 -16.540 -6.295 -2.324
25 HB THR 5 HB THR 5 -15.508 -8.565 -1.427
26 HG1 THR 5 1HG THR 5 -17.646 -9.897 -1.161
27 HG21 THR 5 1HG2 THR 5 -17.087 -8.467 0.459
28 HG22 THR 5 2HG2 THR 5 -18.151 -7.435 -0.494
29 HG23 THR 5 3HG2 THR 5 -16.549 -6.863 -0.030
30 H LYS 6 H LYS 6 -15.354 -5.519 -4.006
31 HA LYS 6 HA LYS 6 -13.802 -7.398 -5.639
32 HB2 LYS 6 1HB LYS 6 -14.165 -4.405 -5.902
33 HB3 LYS 6 2HB LYS 6 -13.310 -5.441 -7.037
34 HG2 LYS 6 1HG LYS 6 -15.310 -6.522 -7.698
35 HG3 LYS 6 2HG LYS 6 -16.220 -5.795 -6.373
36 HD2 LYS 6 1HD LYS 6 -14.946 -4.259 -8.636
37 HD3 LYS 6 2HD LYS 6 -16.650 -4.716 -8.565
38 HE2 LYS 6 1HE LYS 6 -15.236 -3.022 -6.510
39 HE3 LYS 6 2HE LYS 6 -16.207 -2.381 -7.833
40 HZ1 LYS 6 1HZ LYS 6 -18.140 -3.490 -6.946
41 HZ2 LYS 6 2HZ LYS 6 -17.447 -2.518 -5.741
42 HZ3 LYS 6 3HZ LYS 6 -17.222 -4.196 -5.706
43 H TYR 7 H TYR 7 -13.425 -4.466 -3.691
44 HA TYR 7 HA TYR 7 -10.731 -5.371 -2.949
45 HB2 TYR 7 2HB TYR 7 -11.555 -2.570 -3.748
46 HB3 TYR 7 1HB TYR 7 -10.053 -2.935 -2.905
47 HD1 TYR 7 1HD TYR 7 -11.844 -3.134 -6.084
48 HD2 TYR 7 2HD TYR 7 -8.239 -4.094 -4.042
49 HE1 TYR 7 1HE TYR 7 -10.744 -3.561 -8.241
50 HE2 TYR 7 2HE TYR 7 -7.128 -4.525 -6.191
51 HH TYR 7 HH TYR 7 -8.411 -3.549 -9.139
52 H ALA 8 H ALA 8 -10.965 -5.895 -0.886
53 HA ALA 8 HA ALA 8 -12.626 -4.196 0.839
54 HB1 ALA 8 1HB ALA 8 -11.640 -7.014 1.292
55 HB2 ALA 8 2HB ALA 8 -13.270 -6.548 0.803
56 HB3 ALA 8 3HB ALA 8 -12.663 -6.090 2.395
57 H VAL 9 H VAL 9 -11.582 -4.773 3.296
58 HA VAL 9 HA VAL 9 -9.395 -3.040 3.459
59 HB VAL 9 HB VAL 9 -9.150 -3.869 5.812
60 HG11 VAL 9 1HG1 VAL 9 -11.929 -3.112 4.919
61 HG12 VAL 9 2HG1 VAL 9 -10.609 -2.001 5.285
62 HG13 VAL 9 3HG1 VAL 9 -11.314 -2.985 6.568
63 HG21 VAL 9 1HG2 VAL 9 -9.854 -6.176 5.497
64 HG22 VAL 9 2HG2 VAL 9 -11.471 -5.638 5.047
65 HG23 VAL 9 3HG2 VAL 9 -10.880 -5.382 6.688
66 HA PRO 10 HA PRO 10 -6.285 -5.951 2.208
67 HB2 PRO 10 2HB PRO 10 -4.269 -4.190 1.980
68 HB3 PRO 10 1HB PRO 10 -5.597 -4.252 0.817
69 HG2 PRO 10 2HG PRO 10 -5.105 -2.326 3.032
70 HG3 PRO 10 1HG PRO 10 -5.811 -2.046 1.432
71 HD2 PRO 10 2HD PRO 10 -7.238 -2.341 3.802
72 HD3 PRO 10 1HD PRO 10 -7.907 -2.510 2.168
73 H ASP 11 H ASP 11 -5.043 -7.248 3.349
74 HA ASP 11 HA ASP 11 -4.152 -6.423 6.011
75 HB2 ASP 11 1HB ASP 11 -5.382 -8.508 5.958
76 HB3 ASP 11 2HB ASP 11 -4.329 -9.137 4.694
77 H THR 12 H THR 12 -2.060 -6.049 6.453
78 HA THR 12 HA THR 12 -0.246 -6.087 4.191
79 HB THR 12 HB THR 12 1.274 -4.822 5.754
80 HG1 THR 12 1HG THR 12 0.703 -4.621 7.781
81 HG21 THR 12 1HG2 THR 12 -0.126 -3.683 4.136
82 HG22 THR 12 2HG2 THR 12 -0.093 -2.765 5.644
83 HG23 THR 12 3HG2 THR 12 -1.503 -3.749 5.239
84 H SER 13 H SER 13 -0.951 -8.185 6.690
85 HA SER 13 HA SER 13 1.669 -9.138 7.281
86 HB2 SER 13 1HB SER 13 -0.985 -10.581 7.528
87 HB3 SER 13 2HB SER 13 0.529 -11.038 8.319
88 HG SER 13 HG SER 13 -1.245 -9.591 9.391
89 H THR 14 H THR 14 -0.834 -9.975 4.961
90 HA THR 14 HA THR 14 0.659 -12.227 3.934
91 HB THR 14 HB THR 14 -1.800 -12.316 4.034
92 HG1 THR 14 1HG THR 14 -0.564 -12.451 1.472
93 HG21 THR 14 1HG2 THR 14 -2.289 -9.966 3.568
94 HG22 THR 14 2HG2 THR 14 -3.155 -11.027 2.457
95 HG23 THR 14 3HG2 THR 14 -1.714 -10.168 1.912
96 H TYR 15 H TYR 15 1.257 -9.096 3.654
97 HA TYR 15 HA TYR 15 1.594 -8.889 0.807
98 HB2 TYR 15 2HB TYR 15 2.341 -7.125 3.121
99 HB3 TYR 15 1HB TYR 15 2.988 -6.815 1.516
100 HD1 TYR 15 1HD TYR 15 -0.259 -8.248 1.357
101 HD2 TYR 15 2HD TYR 15 1.790 -4.571 1.959
102 HE1 TYR 15 1HE TYR 15 -2.298 -7.023 0.753
103 HE2 TYR 15 2HE TYR 15 -0.248 -3.331 1.364
104 HH TYR 15 HH TYR 15 -2.390 -3.955 -0.155
105 H GLN 16 H GLN 16 3.759 -8.400 -0.119
106 HA GLN 16 HA GLN 16 5.651 -10.405 0.912
107 HB2 GLN 16 1HB GLN 16 5.600 -9.236 -1.868
108 HB3 GLN 16 2HB GLN 16 6.399 -10.708 -1.330
109 HG2 GLN 16 1HG GLN 16 4.188 -11.713 -0.905
110 HG3 GLN 16 2HG GLN 16 3.433 -10.251 -1.531
111 HE21 GLN 16 1HE2 GLN 16 3.707 -12.950 -4.122
112 HE22 GLN 16 2HE2 GLN 16 3.166 -12.929 -2.475
113 H TYR 17 H TYR 17 7.135 -9.401 2.154
114 HA TYR 17 HA TYR 17 7.725 -6.667 2.004
115 HB2 TYR 17 2HB TYR 17 8.059 -8.000 4.036
116 HB3 TYR 17 1HB TYR 17 9.368 -8.878 3.251
117 HD1 TYR 17 1HD TYR 17 11.526 -8.181 3.691
118 HD2 TYR 17 2HD TYR 17 8.365 -5.347 3.979
119 HE1 TYR 17 1HE TYR 17 13.129 -6.475 4.444
120 HE2 TYR 17 2HE TYR 17 9.959 -3.637 4.735
121 HH TYR 17 HH TYR 17 13.337 -4.039 4.530
122 H ASP 18 H ASP 18 8.686 -5.670 0.413
123 HA ASP 18 HA ASP 18 10.608 -6.977 -1.308
124 HB2 ASP 18 1HB ASP 18 8.868 -5.265 -2.081
125 HB3 ASP 18 2HB ASP 18 9.857 -4.048 -1.290
126 H GLU 19 H GLU 19 12.449 -7.350 -0.241
127 HA GLU 19 HA GLU 19 13.420 -5.648 1.840
128 HB2 GLU 19 1HB GLU 19 15.184 -7.284 2.027
129 HB3 GLU 19 2HB GLU 19 13.641 -8.076 1.796
130 HG2 GLU 19 1HG GLU 19 14.202 -8.303 -0.625
131 HG3 GLU 19 2HG GLU 19 15.830 -7.761 -0.217
132 H SER 20 H SER 20 13.880 -5.911 -1.511
133 HA SER 20 HA SER 20 16.425 -4.591 -1.614
134 HB2 SER 20 1HB SER 20 14.399 -5.581 -3.580
135 HB3 SER 20 2HB SER 20 15.765 -4.596 -4.123
136 HG SER 20 HG SER 20 16.482 -6.638 -2.432
137 H SER 21 H SER 21 13.122 -3.641 -1.478
138 HA SER 21 HA SER 21 13.844 -0.915 -2.319
139 HB2 SER 21 1HB SER 21 11.982 -2.075 -3.543
140 HB3 SER 21 2HB SER 21 11.066 -2.071 -2.039
141 HG SER 21 HG SER 21 11.099 -0.201 -3.821
142 H GLY 22 H GLY 22 12.523 -2.843 0.299
143 HA2 GLY 22 1HA GLY 22 12.805 -2.248 2.576
144 HA3 GLY 22 2HA GLY 22 12.972 -0.566 2.097
145 H TYR 23 H TYR 23 10.401 -2.320 0.675
146 HA TYR 23 HA TYR 23 8.464 -1.251 2.604
147 HB2 TYR 23 2HB TYR 23 8.362 -0.868 -0.400
148 HB3 TYR 23 1HB TYR 23 7.035 -0.502 0.696
149 HD1 TYR 23 1HD TYR 23 10.083 0.709 -0.782
150 HD2 TYR 23 2HD TYR 23 7.376 1.268 2.450
151 HE1 TYR 23 1HE TYR 23 10.986 2.970 -0.423
152 HE2 TYR 23 2HE TYR 23 8.269 3.522 2.817
153 HH TYR 23 HH TYR 23 10.130 5.158 0.608
154 H TYR 24 H TYR 24 6.316 -2.273 2.376
155 HA TYR 24 HA TYR 24 6.545 -5.073 1.674
156 HB2 TYR 24 2HB TYR 24 4.339 -3.387 2.840
157 HB3 TYR 24 1HB TYR 24 4.046 -5.041 2.320
158 HD1 TYR 24 1HD TYR 24 4.942 -6.908 3.542
159 HD2 TYR 24 2HD TYR 24 5.717 -2.920 4.796
160 HE1 TYR 24 1HE TYR 24 5.698 -7.750 5.722
161 HE2 TYR 24 2HE TYR 24 6.478 -3.747 6.983
162 HH TYR 24 HH TYR 24 7.047 -7.094 7.583
163 H TYR 25 H TYR 25 6.292 -5.751 -0.378
164 HA TYR 25 HA TYR 25 4.964 -4.115 -2.318
165 HB2 TYR 25 2HB TYR 25 6.812 -5.495 -3.056
166 HB3 TYR 25 1HB TYR 25 5.999 -6.953 -2.497
167 HD1 TYR 25 1HD TYR 25 4.848 -8.231 -4.063
168 HD2 TYR 25 2HD TYR 25 5.414 -4.075 -4.817
169 HE1 TYR 25 1HE TYR 25 3.788 -8.488 -6.264
170 HE2 TYR 25 2HE TYR 25 4.354 -4.329 -7.024
171 HH TYR 25 HH TYR 25 2.621 -7.138 -7.921
172 H ASP 26 H ASP 26 2.937 -4.114 -2.883
173 HA ASP 26 HA ASP 26 1.120 -6.129 -1.795
174 HB2 ASP 26 1HB ASP 26 0.393 -3.965 -1.170
175 HB3 ASP 26 2HB ASP 26 0.736 -3.301 -2.761
176 HA PRO 27 HA PRO 27 1.093 -7.529 -6.122
177 HB2 PRO 27 2HB PRO 27 0.280 -10.040 -5.504
178 HB3 PRO 27 1HB PRO 27 1.972 -9.537 -5.417
179 HG2 PRO 27 2HG PRO 27 -0.042 -9.795 -3.218
180 HG3 PRO 27 1HG PRO 27 1.664 -10.281 -3.240
181 HD2 PRO 27 2HD PRO 27 0.814 -7.986 -2.063
182 HD3 PRO 27 1HD PRO 27 2.412 -8.150 -2.812
183 H THR 28 H THR 28 -1.271 -7.141 -3.687
184 HA THR 28 HA THR 28 -3.508 -8.269 -5.031
185 HB THR 28 HB THR 28 -3.825 -6.028 -3.083
186 HG1 THR 28 1HG THR 28 -2.463 -7.012 -1.802
187 HG21 THR 28 1HG2 THR 28 -5.139 -8.730 -3.371
188 HG22 THR 28 2HG2 THR 28 -5.790 -7.205 -3.968
189 HG23 THR 28 3HG2 THR 28 -5.608 -7.467 -2.233
190 H THR 29 H THR 29 -2.579 -4.861 -4.444
191 HA THR 29 HA THR 29 -4.277 -4.073 -6.703
192 HB THR 29 HB THR 29 -2.945 -2.183 -4.773
193 HG1 THR 29 1HG THR 29 -4.168 -3.572 -3.504
194 HG21 THR 29 1HG2 THR 29 -4.840 -0.733 -5.390
195 HG22 THR 29 2HG2 THR 29 -5.440 -1.990 -6.471
196 HG23 THR 29 3HG2 THR 29 -3.896 -1.207 -6.801
197 H GLY 30 H GLY 30 -1.005 -3.834 -5.417
198 HA2 GLY 30 1HA GLY 30 0.824 -4.056 -7.047
199 HA3 GLY 30 2HA GLY 30 -0.104 -3.013 -8.119
200 H LEU 31 H LEU 31 0.507 -2.695 -4.656
201 HA LEU 31 HA LEU 31 1.813 -0.095 -5.220
202 HB2 LEU 31 1HB LEU 31 -0.159 -0.738 -3.032
203 HB3 LEU 31 2HB LEU 31 0.727 0.767 -3.162
204 HG LEU 31 HG LEU 31 -1.339 -0.266 -5.110
205 HD11 LEU 31 1HD1 LEU 31 -1.344 2.084 -3.229
206 HD12 LEU 31 2HD1 LEU 31 -2.286 0.603 -3.046
207 HD13 LEU 31 3HD1 LEU 31 -2.610 1.695 -4.393
208 HD21 LEU 31 1HD2 LEU 31 0.310 2.260 -5.188
209 HD22 LEU 31 2HD2 LEU 31 -1.049 1.897 -6.252
210 HD23 LEU 31 3HD2 LEU 31 0.412 0.909 -6.317
211 H TYR 32 H TYR 32 2.957 0.756 -3.212
212 HA TYR 32 HA TYR 32 4.303 -1.467 -1.827
213 HB2 TYR 32 2HB TYR 32 5.265 1.186 -2.820
214 HB3 TYR 32 1HB TYR 32 6.018 0.517 -1.377
215 HD1 TYR 32 1HD TYR 32 7.392 -1.456 -1.497
216 HD2 TYR 32 2HD TYR 32 5.551 0.110 -4.992
217 HE1 TYR 32 1HE TYR 32 8.875 -2.839 -2.880
218 HE2 TYR 32 2HE TYR 32 7.032 -1.272 -6.396
219 HH TYR 32 HH TYR 32 9.166 -3.693 -4.985
220 H TYR 33 H TYR 33 3.945 -1.645 0.293
221 HA TYR 33 HA TYR 33 2.577 0.545 1.659
222 HB2 TYR 33 2HB TYR 33 1.494 -1.609 1.845
223 HB3 TYR 33 1HB TYR 33 2.983 -2.360 2.404
224 HD1 TYR 33 1HD TYR 33 0.302 0.011 3.320
225 HD2 TYR 33 2HD TYR 33 3.584 -2.319 4.692
226 HE1 TYR 33 1HE TYR 33 -0.379 0.433 5.645
227 HE2 TYR 33 2HE TYR 33 2.918 -1.903 7.021
228 HH TYR 33 HH TYR 33 -0.102 -0.669 7.867
229 H ASP 34 H ASP 34 3.726 1.909 2.837
230 HA ASP 34 HA ASP 34 6.390 1.208 3.745
231 HB2 ASP 34 1HB ASP 34 5.965 3.507 2.948
232 HB3 ASP 34 2HB ASP 34 4.762 3.721 4.213
233 HA PRO 35 HA PRO 35 4.650 -0.477 7.535
234 HB2 PRO 35 2HB PRO 35 7.134 -0.882 8.688
235 HB3 PRO 35 1HB PRO 35 6.300 -2.044 7.650
236 HG2 PRO 35 2HG PRO 35 8.496 -0.144 6.991
237 HG3 PRO 35 1HG PRO 35 8.204 -1.778 6.379
238 HD2 PRO 35 2HD PRO 35 7.657 0.442 4.935
239 HD3 PRO 35 1HD PRO 35 6.704 -1.048 4.793
240 H ASN 36 H ASN 36 6.870 2.199 7.173
241 HA ASN 36 HA ASN 36 6.773 2.872 9.987
242 HB2 ASN 36 1HB ASN 36 8.779 3.267 8.461
243 HB3 ASN 36 2HB ASN 36 7.869 4.618 7.788
244 HD21 ASN 36 1HD2 ASN 36 8.562 4.939 11.785
245 HD22 ASN 36 2HD2 ASN 36 7.878 3.504 11.105
246 H SER 37 H SER 37 5.702 4.448 6.967
247 HA SER 37 HA SER 37 4.165 6.388 8.452
248 HB2 SER 37 1HB SER 37 4.173 5.873 5.473
249 HB3 SER 37 2HB SER 37 3.628 7.332 6.291
250 HG SER 37 HG SER 37 6.234 6.356 5.897
251 H GLN 38 H GLN 38 3.650 3.304 7.104
252 HA GLN 38 HA GLN 38 1.897 1.919 6.884
253 HB2 GLN 38 1HB GLN 38 0.532 3.910 8.696
254 HB3 GLN 38 2HB GLN 38 -0.184 2.383 8.195
255 HG2 GLN 38 1HG GLN 38 1.774 1.217 9.196
256 HG3 GLN 38 2HG GLN 38 2.305 2.772 9.835
257 HE21 GLN 38 1HE2 GLN 38 -0.735 0.724 11.559
258 HE22 GLN 38 2HE2 GLN 38 0.003 0.206 10.082
259 H TYR 39 H TYR 39 2.400 4.009 4.997
260 HA TYR 39 HA TYR 39 -0.288 4.318 3.851
261 HB2 TYR 39 2HB TYR 39 2.141 6.091 3.534
262 HB3 TYR 39 1HB TYR 39 0.697 6.239 2.545
263 HD1 TYR 39 1HD TYR 39 2.257 7.843 5.031
264 HD2 TYR 39 2HD TYR 39 -1.510 6.005 4.325
265 HE1 TYR 39 1HE TYR 39 1.242 9.279 6.749
266 HE2 TYR 39 2HE TYR 39 -2.542 7.432 6.034
267 HH TYR 39 HH TYR 39 -1.776 8.702 8.086
268 H TYR 40 H TYR 40 -0.407 4.216 1.537
269 HA TYR 40 HA TYR 40 1.408 2.195 0.465
270 HB2 TYR 40 2HB TYR 40 -1.298 3.179 -0.457
271 HB3 TYR 40 1HB TYR 40 -0.333 2.000 -1.339
272 HD1 TYR 40 1HD TYR 40 0.255 -0.177 -0.187
273 HD2 TYR 40 2HD TYR 40 -2.683 2.503 1.323
274 HE1 TYR 40 1HE TYR 40 -0.685 -1.988 1.180
275 HE2 TYR 40 2HE TYR 40 -3.628 0.700 2.699
276 HH TYR 40 HH TYR 40 -3.660 -1.910 2.540
277 H TYR 41 H TYR 41 2.646 2.507 -1.264
278 HA TYR 41 HA TYR 41 2.811 5.245 -2.306
279 HB2 TYR 41 2HB TYR 41 4.821 4.604 -1.107
280 HB3 TYR 41 1HB TYR 41 4.935 3.107 -2.021
281 HD1 TYR 41 1HD TYR 41 4.575 6.745 -2.859
282 HD2 TYR 41 2HD TYR 41 6.632 3.087 -3.548
283 HE1 TYR 41 1HE TYR 41 5.990 7.863 -4.534
284 HE2 TYR 41 2HE TYR 41 8.052 4.186 -5.215
285 HH TYR 41 HH TYR 41 8.029 6.128 -6.666
286 H ASN 42 H ASN 42 1.978 5.431 -4.219
287 HA ASN 42 HA ASN 42 1.773 3.227 -6.065
288 HB2 ASN 42 1HB ASN 42 0.080 5.079 -5.903
289 HB3 ASN 42 2HB ASN 42 1.290 6.182 -6.546
290 HD21 ASN 42 1HD2 ASN 42 -1.035 4.775 -9.165
291 HD22 ASN 42 2HD2 ASN 42 -1.320 5.400 -7.582
292 H SER 43 H SER 43 3.542 2.541 -7.087
293 HA SER 43 HA SER 43 5.916 4.129 -7.191
294 HB2 SER 43 1HB SER 43 5.979 1.671 -6.929
295 HB3 SER 43 2HB SER 43 5.310 1.488 -8.550
296 HG SER 43 HG SER 43 7.177 2.137 -9.427
297 H LEU 44 H LEU 44 3.270 3.585 -9.352
298 HA LEU 44 HA LEU 44 4.717 4.310 -11.739
299 HB2 LEU 44 1HB LEU 44 2.842 2.700 -11.760
300 HB3 LEU 44 2HB LEU 44 1.753 3.979 -11.260
301 HG LEU 44 HG LEU 44 2.293 5.183 -13.380
302 HD11 LEU 44 1HD1 LEU 44 3.652 2.586 -14.086
303 HD12 LEU 44 2HD1 LEU 44 4.450 4.134 -13.815
304 HD13 LEU 44 3HD1 LEU 44 3.355 3.937 -15.181
305 HD21 LEU 44 1HD2 LEU 44 1.155 2.404 -13.697
306 HD22 LEU 44 2HD2 LEU 44 0.896 3.769 -14.785
307 HD23 LEU 44 3HD2 LEU 44 0.270 3.823 -13.139
308 H THR 45 H THR 45 2.314 5.809 -9.614
309 HA THR 45 HA THR 45 2.497 8.300 -11.142
310 HB THR 45 HB THR 45 0.619 7.779 -8.838
311 HG1 THR 45 1HG THR 45 0.331 7.115 -11.604
312 HG21 THR 45 1HG2 THR 45 0.429 9.577 -11.266
313 HG22 THR 45 2HG2 THR 45 0.806 10.105 -9.627
314 HG23 THR 45 3HG2 THR 45 -0.782 9.431 -9.992
315 H GLN 46 H GLN 46 3.862 6.861 -8.485
316 HA GLN 46 HA GLN 46 5.272 7.526 -6.851
317 HB2 GLN 46 1HB GLN 46 5.393 10.099 -8.428
318 HB3 GLN 46 2HB GLN 46 6.550 9.577 -7.211
319 HG2 GLN 46 1HG GLN 46 7.224 7.716 -8.579
320 HG3 GLN 46 2HG GLN 46 5.978 8.098 -9.770
321 HE21 GLN 46 1HE2 GLN 46 8.810 11.011 -9.503
322 HE22 GLN 46 2HE2 GLN 46 7.915 10.495 -8.112
323 H GLN 47 H GLN 47 2.651 7.717 -6.149
324 HA GLN 47 HA GLN 47 2.556 10.183 -4.547
325 HB2 GLN 47 1HB GLN 47 0.120 10.206 -4.790
326 HB3 GLN 47 2HB GLN 47 0.910 10.302 -6.355
327 HG2 GLN 47 1HG GLN 47 0.491 7.928 -6.722
328 HG3 GLN 47 2HG GLN 47 -0.282 7.820 -5.143
329 HE21 GLN 47 1HE2 GLN 47 -2.864 10.211 -6.566
330 HE22 GLN 47 2HE2 GLN 47 -1.548 10.457 -5.468
331 H TYR 48 H TYR 48 1.221 9.989 -2.593
332 HA TYR 48 HA TYR 48 1.431 7.284 -1.467
333 HB2 TYR 48 2HB TYR 48 1.645 10.009 -0.249
334 HB3 TYR 48 1HB TYR 48 1.171 8.637 0.748
335 HD1 TYR 48 1HD TYR 48 2.749 7.155 1.569
336 HD2 TYR 48 2HD TYR 48 3.857 9.870 -1.507
337 HE1 TYR 48 1HE TYR 48 5.091 6.492 1.855
338 HE2 TYR 48 2HE TYR 48 6.218 9.226 -1.233
339 HH TYR 48 HH TYR 48 7.647 8.252 0.673
340 H LEU 49 H LEU 49 -0.225 6.352 -0.461
341 HA LEU 49 HA LEU 49 -2.843 7.679 -0.548
342 HB2 LEU 49 1HB LEU 49 -2.219 4.960 -1.712
343 HB3 LEU 49 2HB LEU 49 -3.817 5.665 -1.581
344 HG LEU 49 HG LEU 49 -1.646 7.017 -3.160
345 HD11 LEU 49 1HD1 LEU 49 -3.621 4.974 -4.172
346 HD12 LEU 49 2HD1 LEU 49 -1.872 4.763 -4.066
347 HD13 LEU 49 3HD1 LEU 49 -2.550 5.961 -5.169
348 HD21 LEU 49 1HD2 LEU 49 -3.528 8.072 -4.264
349 HD22 LEU 49 2HD2 LEU 49 -3.638 8.303 -2.515
350 HD23 LEU 49 3HD2 LEU 49 -4.653 7.101 -3.313
351 H TYR 50 H TYR 50 -4.477 6.427 0.676
352 HA TYR 50 HA TYR 50 -3.426 4.304 2.356
353 HB2 TYR 50 2HB TYR 50 -4.161 5.237 4.437
354 HB3 TYR 50 1HB TYR 50 -3.097 6.400 3.665
355 HD1 TYR 50 1HD TYR 50 -4.047 8.495 2.710
356 HD2 TYR 50 2HD TYR 50 -6.438 5.736 4.900
357 HE1 TYR 50 1HE TYR 50 -5.734 10.249 3.079
358 HE2 TYR 50 2HE TYR 50 -8.138 7.471 5.250
359 HH TYR 50 HH TYR 50 -8.074 10.487 3.600
360 H TRP 51 H TRP 51 -5.003 2.901 3.118
361 HA TRP 51 HA TRP 51 -7.361 2.869 1.464
362 HB2 TRP 51 2HB TRP 51 -6.259 0.763 1.818
363 HB3 TRP 51 1HB TRP 51 -6.337 0.960 3.567
364 HD1 TRP 51 1HD TRP 51 -8.550 0.224 4.771
365 HE1 TRP 51 1HE TRP 51 -10.696 -0.951 3.979
366 HE3 TRP 51 3HE TRP 51 -7.869 0.603 -0.281
367 HZ2 TRP 51 2HZ TRP 51 -11.928 -1.634 1.549
368 HZ3 TRP 51 3HZ TRP 51 -9.583 -0.344 -1.773
369 HH2 TRP 51 2HH TRP 51 -11.572 -1.439 -0.874
370 H ASP 52 H ASP 52 -9.090 3.998 1.997
371 HA ASP 52 HA ASP 52 -9.807 4.229 4.834
372 HB2 ASP 52 1HB ASP 52 -9.808 6.316 3.486
373 HB3 ASP 52 2HB ASP 52 -11.032 5.622 2.432
374 H GLY 53 H GLY 53 -11.097 2.705 5.600
375 HA2 GLY 53 1HA GLY 53 -12.188 0.698 3.950
376 HA3 GLY 53 2HA GLY 53 -12.482 0.885 5.668
377 H GLU 54 H GLU 54 -13.541 3.672 5.082
378 HA GLU 54 HA GLU 54 -16.275 2.859 4.788
379 HB2 GLU 54 1HB GLU 54 -15.636 4.662 6.318
380 HB3 GLU 54 2HB GLU 54 -15.031 5.608 4.967
381 HG2 GLU 54 1HG GLU 54 -17.210 6.394 5.709
382 HG3 GLU 54 2HG GLU 54 -17.275 5.785 4.055
383 H LYS 55 H LYS 55 -13.991 4.806 2.889
384 HA LYS 55 HA LYS 55 -15.920 5.208 0.785
385 HB2 LYS 55 1HB LYS 55 -12.962 5.726 0.551
386 HB3 LYS 55 2HB LYS 55 -14.276 6.518 -0.303
387 HG2 LYS 55 1HG LYS 55 -13.545 6.830 2.600
388 HG3 LYS 55 2HG LYS 55 -13.378 8.029 1.320
389 HD2 LYS 55 1HD LYS 55 -15.986 6.892 2.321
390 HD3 LYS 55 2HD LYS 55 -15.322 8.463 2.764
391 HE2 LYS 55 1HE LYS 55 -15.396 9.124 0.385
392 HE3 LYS 55 2HE LYS 55 -16.139 7.569 0.006
393 HZ1 LYS 55 1HZ LYS 55 -18.002 8.143 1.427
394 HZ2 LYS 55 2HZ LYS 55 -17.789 9.326 0.229
395 HZ3 LYS 55 3HZ LYS 55 -17.281 9.630 1.817
396 H GLU 56 H GLU 56 -13.646 2.808 1.588
397 HA GLU 56 HA GLU 56 -12.955 0.883 0.616
398 HB2 GLU 56 1HB GLU 56 -15.308 1.438 -1.188
399 HB3 GLU 56 2HB GLU 56 -14.344 -0.029 -1.283
400 HG2 GLU 56 1HG GLU 56 -14.930 -0.554 1.034
401 HG3 GLU 56 2HG GLU 56 -15.916 0.905 1.103
402 H THR 57 H THR 57 -11.588 3.198 -0.097
403 HA THR 57 HA THR 57 -10.498 2.402 -2.667
404 HB THR 57 HB THR 57 -12.202 3.991 -3.355
405 HG1 THR 57 1HG THR 57 -10.214 5.779 -3.707
406 HG21 THR 57 1HG2 THR 57 -12.501 5.204 -1.277
407 HG22 THR 57 2HG2 THR 57 -12.149 6.330 -2.589
408 HG23 THR 57 3HG2 THR 57 -10.889 5.904 -1.430
409 H TYR 58 H TYR 58 -8.463 3.529 -3.140
410 HA TYR 58 HA TYR 58 -7.002 4.132 -0.688
411 HB2 TYR 58 2HB TYR 58 -5.963 3.787 -3.510
412 HB3 TYR 58 1HB TYR 58 -4.981 3.947 -2.063
413 HD1 TYR 58 1HD TYR 58 -4.835 2.110 -0.445
414 HD2 TYR 58 2HD TYR 58 -7.025 1.704 -4.065
415 HE1 TYR 58 1HE TYR 58 -4.861 -0.331 -0.146
416 HE2 TYR 58 2HE TYR 58 -7.062 -0.737 -3.782
417 HH TYR 58 HH TYR 58 -5.758 -2.475 -2.625
418 H VAL 59 H VAL 59 -7.028 6.149 -0.074
419 HA VAL 59 HA VAL 59 -7.422 8.259 -2.080
420 HB VAL 59 HB VAL 59 -8.077 9.633 -0.005
421 HG11 VAL 59 1HG1 VAL 59 -10.356 8.699 0.002
422 HG12 VAL 59 2HG1 VAL 59 -9.757 7.279 -0.858
423 HG13 VAL 59 3HG1 VAL 59 -9.704 8.866 -1.628
424 HG21 VAL 59 1HG2 VAL 59 -7.145 8.108 1.667
425 HG22 VAL 59 2HG2 VAL 59 -8.294 6.867 1.169
426 HG23 VAL 59 3HG2 VAL 59 -8.873 8.360 1.906
427 HA PRO 60 HA PRO 60 -3.316 9.732 -1.679
428 HB2 PRO 60 2HB PRO 60 -4.527 12.444 -1.861
429 HB3 PRO 60 1HB PRO 60 -3.267 11.701 -2.853
430 HG2 PRO 60 2HG PRO 60 -5.736 11.974 -3.802
431 HG3 PRO 60 1HG PRO 60 -4.794 10.507 -4.138
432 HD2 PRO 60 2HD PRO 60 -7.015 10.929 -2.177
433 HD3 PRO 60 1HD PRO 60 -6.673 9.530 -3.213
434 H ALA 61 H ALA 61 -2.187 9.846 0.083
435 HA ALA 61 HA ALA 61 -3.302 11.159 2.456
436 HB1 ALA 61 1HB ALA 61 -1.691 9.875 3.730
437 HB2 ALA 61 2HB ALA 61 -0.962 9.274 2.238
438 HB3 ALA 61 3HB ALA 61 -2.613 8.816 2.662
439 H ALA 62 H ALA 62 -1.276 11.949 -0.020
440 HA ALA 62 HA ALA 62 0.003 14.019 1.584
441 HB1 ALA 62 1HB ALA 62 1.596 12.154 1.584
442 HB2 ALA 62 2HB ALA 62 2.225 13.553 0.709
443 HB3 ALA 62 3HB ALA 62 1.597 12.163 -0.180
444 H GLU 63 H GLU 63 -2.095 14.299 -0.238
445 HA GLU 63 HA GLU 63 -1.077 15.157 -2.784
446 HB2 GLU 63 1HB GLU 63 -3.347 16.064 -3.146
447 HB3 GLU 63 2HB GLU 63 -3.371 14.383 -2.639
448 HG2 GLU 63 1HG GLU 63 -3.992 15.030 -0.395
449 HG3 GLU 63 2HG GLU 63 -3.879 16.735 -0.828
450 H SER 64 H SER 64 -1.303 16.494 0.327
451 HA SER 64 HA SER 64 -0.292 19.042 -0.700
452 HB2 SER 64 1HB SER 64 -2.314 18.775 1.548
453 HB3 SER 64 2HB SER 64 -1.596 20.278 0.972
454 HG SER 64 HG SER 64 -2.580 19.793 -1.099
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -26.766 -4.124 -3.983
2 H2 GLY 1 2H GLY 1 -28.449 -4.245 -3.843
3 H3 GLY 1 3H GLY 1 -27.477 -4.332 -2.458
4 HA2 GLY 1 1HA GLY 1 -27.769 -1.954 -4.207
5 HA3 GLY 1 2HA GLY 1 -28.550 -2.170 -2.646
6 H ALA 2 H ALA 2 -25.797 -1.087 -4.276
7 HA ALA 2 HA ALA 2 -23.822 -0.162 -3.638
8 HB1 ALA 2 1HB ALA 2 -25.258 0.280 -1.024
9 HB2 ALA 2 2HB ALA 2 -25.335 1.340 -2.433
10 HB3 ALA 2 3HB ALA 2 -23.810 1.120 -1.573
11 H MET 3 H MET 3 -23.513 -2.754 -3.654
12 HA MET 3 HA MET 3 -21.887 -3.294 -1.275
13 HB2 MET 3 1HB MET 3 -22.683 -5.590 -1.129
14 HB3 MET 3 2HB MET 3 -24.015 -4.460 -0.927
15 HG2 MET 3 1HG MET 3 -24.716 -4.851 -3.220
16 HG3 MET 3 2HG MET 3 -23.356 -5.946 -3.461
17 HE1 MET 3 1HE MET 3 -24.260 -8.935 -1.119
18 HE2 MET 3 2HE MET 3 -23.227 -7.553 -0.747
19 HE3 MET 3 3HE MET 3 -23.137 -8.320 -2.334
20 H GLY 4 H GLY 4 -21.572 -2.620 -4.241
21 HA2 GLY 4 1HA GLY 4 -20.261 -4.920 -5.368
22 HA3 GLY 4 2HA GLY 4 -20.277 -3.295 -6.033
23 H THR 5 H THR 5 -19.068 -4.709 -3.005
24 HA THR 5 HA THR 5 -16.714 -3.065 -3.098
25 HB THR 5 HB THR 5 -17.318 -5.337 -1.222
26 HG1 THR 5 1HG THR 5 -17.759 -2.708 -0.400
27 HG21 THR 5 1HG2 THR 5 -15.849 -4.101 0.322
28 HG22 THR 5 2HG2 THR 5 -15.528 -2.924 -0.952
29 HG23 THR 5 3HG2 THR 5 -15.007 -4.596 -1.145
30 H LYS 6 H LYS 6 -14.859 -3.569 -4.003
31 HA LYS 6 HA LYS 6 -14.401 -6.336 -4.894
32 HB2 LYS 6 1HB LYS 6 -14.334 -4.464 -6.588
33 HB3 LYS 6 2HB LYS 6 -12.928 -3.836 -5.733
34 HG2 LYS 6 1HG LYS 6 -12.241 -5.101 -7.677
35 HG3 LYS 6 2HG LYS 6 -11.717 -5.911 -6.199
36 HD2 LYS 6 1HD LYS 6 -13.682 -7.407 -6.370
37 HD3 LYS 6 2HD LYS 6 -14.109 -6.634 -7.897
38 HE2 LYS 6 1HE LYS 6 -12.924 -8.726 -8.291
39 HE3 LYS 6 2HE LYS 6 -11.971 -7.355 -8.853
40 HZ1 LYS 6 1HZ LYS 6 -10.539 -7.528 -7.010
41 HZ2 LYS 6 2HZ LYS 6 -10.746 -9.117 -7.566
42 HZ3 LYS 6 3HZ LYS 6 -11.575 -8.587 -6.189
43 H TYR 7 H TYR 7 -12.993 -3.623 -3.214
44 HA TYR 7 HA TYR 7 -10.830 -5.350 -2.214
45 HB2 TYR 7 2HB TYR 7 -10.943 -2.352 -2.583
46 HB3 TYR 7 1HB TYR 7 -9.606 -3.208 -1.816
47 HD1 TYR 7 1HD TYR 7 -7.998 -4.422 -3.145
48 HD2 TYR 7 2HD TYR 7 -11.360 -2.569 -4.979
49 HE1 TYR 7 1HE TYR 7 -6.959 -4.727 -5.354
50 HE2 TYR 7 2HE TYR 7 -10.329 -2.862 -7.186
51 HH TYR 7 HH TYR 7 -8.018 -3.114 -8.110
52 H ALA 8 H ALA 8 -10.832 -5.765 -0.087
53 HA ALA 8 HA ALA 8 -12.627 -4.183 1.634
54 HB1 ALA 8 1HB ALA 8 -11.462 -6.938 2.065
55 HB2 ALA 8 2HB ALA 8 -13.117 -6.574 1.576
56 HB3 ALA 8 3HB ALA 8 -12.545 -6.095 3.174
57 H VAL 9 H VAL 9 -11.599 -4.488 4.104
58 HA VAL 9 HA VAL 9 -9.366 -2.838 4.209
59 HB VAL 9 HB VAL 9 -9.027 -3.650 6.546
60 HG11 VAL 9 1HG1 VAL 9 -11.121 -2.744 7.399
61 HG12 VAL 9 2HG1 VAL 9 -11.870 -2.958 5.815
62 HG13 VAL 9 3HG1 VAL 9 -10.550 -1.807 6.019
63 HG21 VAL 9 1HG2 VAL 9 -11.360 -5.450 5.891
64 HG22 VAL 9 2HG2 VAL 9 -10.702 -5.177 7.505
65 HG23 VAL 9 3HG2 VAL 9 -9.718 -5.968 6.274
66 HA PRO 10 HA PRO 10 -6.464 -5.639 2.540
67 HB2 PRO 10 2HB PRO 10 -4.346 -3.974 2.455
68 HB3 PRO 10 1HB PRO 10 -5.730 -3.813 1.371
69 HG2 PRO 10 2HG PRO 10 -5.035 -2.241 3.802
70 HG3 PRO 10 1HG PRO 10 -5.793 -1.706 2.293
71 HD2 PRO 10 2HD PRO 10 -7.141 -2.228 4.650
72 HD3 PRO 10 1HD PRO 10 -7.879 -2.202 3.038
73 H ASP 11 H ASP 11 -5.305 -7.207 3.386
74 HA ASP 11 HA ASP 11 -4.147 -6.978 6.018
75 HB2 ASP 11 1HB ASP 11 -4.010 -9.206 3.970
76 HB3 ASP 11 2HB ASP 11 -3.354 -9.304 5.599
77 H THR 12 H THR 12 -2.057 -6.556 6.481
78 HA THR 12 HA THR 12 -0.319 -5.928 4.226
79 HB THR 12 HB THR 12 1.170 -4.991 6.083
80 HG1 THR 12 1HG THR 12 -0.703 -4.446 7.845
81 HG21 THR 12 1HG2 THR 12 -0.253 -2.945 6.291
82 HG22 THR 12 2HG2 THR 12 -1.573 -3.845 5.539
83 HG23 THR 12 3HG2 THR 12 -0.089 -3.534 4.635
84 H SER 13 H SER 13 -0.856 -8.370 6.519
85 HA SER 13 HA SER 13 1.809 -9.403 6.621
86 HB2 SER 13 1HB SER 13 -0.779 -10.859 7.201
87 HB3 SER 13 2HB SER 13 0.835 -11.302 7.757
88 HG SER 13 HG SER 13 -0.779 -9.121 8.543
89 H THR 14 H THR 14 -0.722 -9.509 4.337
90 HA THR 14 HA THR 14 0.175 -11.971 3.082
91 HB THR 14 HB THR 14 -1.617 -11.312 1.374
92 HG1 THR 14 1HG THR 14 -2.044 -9.214 1.731
93 HG21 THR 14 1HG2 THR 14 -1.975 -13.000 3.122
94 HG22 THR 14 2HG2 THR 14 -3.436 -12.063 2.815
95 HG23 THR 14 3HG2 THR 14 -2.458 -11.727 4.243
96 H TYR 15 H TYR 15 1.325 -8.937 3.142
97 HA TYR 15 HA TYR 15 1.789 -8.573 0.309
98 HB2 TYR 15 2HB TYR 15 2.677 -7.018 2.732
99 HB3 TYR 15 1HB TYR 15 3.127 -6.583 1.097
100 HD1 TYR 15 1HD TYR 15 1.753 -4.725 2.915
101 HD2 TYR 15 2HD TYR 15 0.158 -7.585 0.202
102 HE1 TYR 15 1HE TYR 15 -0.296 -3.386 2.717
103 HE2 TYR 15 2HE TYR 15 -1.899 -6.254 -0.002
104 HH TYR 15 HH TYR 15 -3.111 -4.565 1.043
105 H GLN 16 H GLN 16 3.935 -8.312 -0.550
106 HA GLN 16 HA GLN 16 5.809 -10.237 0.638
107 HB2 GLN 16 1HB GLN 16 5.708 -9.060 -2.149
108 HB3 GLN 16 2HB GLN 16 6.852 -10.277 -1.596
109 HG2 GLN 16 1HG GLN 16 5.118 -11.888 -1.320
110 HG3 GLN 16 2HG GLN 16 3.872 -10.673 -1.616
111 HE21 GLN 16 1HE2 GLN 16 4.108 -10.791 -5.095
112 HE22 GLN 16 2HE2 GLN 16 3.519 -9.950 -3.702
113 H TYR 17 H TYR 17 7.128 -9.192 2.023
114 HA TYR 17 HA TYR 17 7.756 -6.443 1.800
115 HB2 TYR 17 2HB TYR 17 7.770 -7.625 3.964
116 HB3 TYR 17 1HB TYR 17 9.167 -8.559 3.434
117 HD1 TYR 17 1HD TYR 17 8.032 -5.064 4.015
118 HD2 TYR 17 2HD TYR 17 11.322 -7.750 3.823
119 HE1 TYR 17 1HE TYR 17 9.518 -3.293 4.843
120 HE2 TYR 17 2HE TYR 17 12.819 -5.987 4.654
121 HH TYR 17 HH TYR 17 12.886 -3.497 4.715
122 H ASP 18 H ASP 18 9.061 -5.556 0.383
123 HA ASP 18 HA ASP 18 11.206 -7.135 -0.833
124 HB2 ASP 18 1HB ASP 18 9.577 -5.771 -2.231
125 HB3 ASP 18 2HB ASP 18 10.323 -4.331 -1.548
126 H GLU 19 H GLU 19 13.130 -7.027 0.144
127 HA GLU 19 HA GLU 19 13.657 -4.978 2.093
128 HB2 GLU 19 1HB GLU 19 15.659 -6.218 2.591
129 HB3 GLU 19 2HB GLU 19 14.308 -7.317 2.402
130 HG2 GLU 19 1HG GLU 19 15.057 -7.964 0.215
131 HG3 GLU 19 2HG GLU 19 16.358 -6.775 0.281
132 H SER 20 H SER 20 14.245 -5.344 -1.216
133 HA SER 20 HA SER 20 16.602 -3.648 -1.225
134 HB2 SER 20 1HB SER 20 16.395 -5.584 -2.774
135 HB3 SER 20 2HB SER 20 15.022 -4.788 -3.540
136 HG SER 20 HG SER 20 16.652 -2.959 -3.787
137 H SER 21 H SER 21 13.202 -3.409 -1.465
138 HA SER 21 HA SER 21 13.405 -0.671 -2.522
139 HB2 SER 21 1HB SER 21 11.830 -2.181 -3.689
140 HB3 SER 21 2HB SER 21 10.956 -2.424 -2.180
141 HG SER 21 HG SER 21 10.785 -0.393 -3.968
142 H GLY 22 H GLY 22 12.445 -2.582 0.234
143 HA2 GLY 22 1HA GLY 22 12.442 -1.869 2.451
144 HA3 GLY 22 2HA GLY 22 12.498 -0.202 1.899
145 H TYR 23 H TYR 23 10.155 -2.377 0.557
146 HA TYR 23 HA TYR 23 8.055 -1.233 2.250
147 HB2 TYR 23 2HB TYR 23 8.056 -1.159 -0.773
148 HB3 TYR 23 1HB TYR 23 6.675 -0.756 0.238
149 HD1 TYR 23 1HD TYR 23 9.562 0.480 -1.400
150 HD2 TYR 23 2HD TYR 23 6.994 1.187 1.911
151 HE1 TYR 23 1HE TYR 23 10.334 2.810 -1.308
152 HE2 TYR 23 2HE TYR 23 7.758 3.513 2.018
153 HH TYR 23 HH TYR 23 9.580 4.885 1.330
154 H TYR 24 H TYR 24 6.096 -2.407 2.252
155 HA TYR 24 HA TYR 24 6.297 -5.201 1.519
156 HB2 TYR 24 2HB TYR 24 4.146 -3.537 2.821
157 HB3 TYR 24 1HB TYR 24 3.854 -5.198 2.322
158 HD1 TYR 24 1HD TYR 24 4.965 -7.047 3.441
159 HD2 TYR 24 2HD TYR 24 5.529 -3.036 4.736
160 HE1 TYR 24 1HE TYR 24 5.888 -7.870 5.565
161 HE2 TYR 24 2HE TYR 24 6.453 -3.846 6.864
162 HH TYR 24 HH TYR 24 7.318 -7.126 7.362
163 H TYR 25 H TYR 25 6.021 -5.767 -0.543
164 HA TYR 25 HA TYR 25 4.636 -4.084 -2.399
165 HB2 TYR 25 2HB TYR 25 6.547 -5.347 -3.173
166 HB3 TYR 25 1HB TYR 25 5.800 -6.863 -2.679
167 HD1 TYR 25 1HD TYR 25 4.550 -8.095 -4.219
168 HD2 TYR 25 2HD TYR 25 5.299 -3.974 -4.977
169 HE1 TYR 25 1HE TYR 25 3.547 -8.329 -6.447
170 HE2 TYR 25 2HE TYR 25 4.295 -4.200 -7.212
171 HH TYR 25 HH TYR 25 3.855 -5.974 -8.866
172 H ASP 26 H ASP 26 2.564 -4.086 -2.856
173 HA ASP 26 HA ASP 26 0.864 -6.312 -2.031
174 HB2 ASP 26 1HB ASP 26 0.005 -4.169 -1.355
175 HB3 ASP 26 2HB ASP 26 0.212 -3.514 -2.973
176 HA PRO 27 HA PRO 27 1.159 -7.541 -6.393
177 HB2 PRO 27 2HB PRO 27 0.108 -10.017 -5.882
178 HB3 PRO 27 1HB PRO 27 1.825 -9.625 -5.741
179 HG2 PRO 27 2HG PRO 27 -0.254 -9.827 -3.601
180 HG3 PRO 27 1HG PRO 27 1.437 -10.364 -3.586
181 HD2 PRO 27 2HD PRO 27 0.640 -8.083 -2.368
182 HD3 PRO 27 1HD PRO 27 2.238 -8.268 -3.117
183 H THR 28 H THR 28 -1.468 -7.237 -4.176
184 HA THR 28 HA THR 28 -3.554 -8.198 -5.840
185 HB THR 28 HB THR 28 -3.960 -6.127 -3.698
186 HG1 THR 28 1HG THR 28 -2.836 -7.448 -2.463
187 HG21 THR 28 1HG2 THR 28 -5.982 -7.467 -3.271
188 HG22 THR 28 2HG2 THR 28 -5.524 -8.558 -4.577
189 HG23 THR 28 3HG2 THR 28 -5.921 -6.877 -4.930
190 H THR 29 H THR 29 -2.877 -4.857 -4.786
191 HA THR 29 HA THR 29 -4.322 -3.848 -7.106
192 HB THR 29 HB THR 29 -3.043 -2.152 -4.974
193 HG1 THR 29 1HG THR 29 -4.276 -3.375 -3.684
194 HG21 THR 29 1HG2 THR 29 -4.890 -0.640 -5.486
195 HG22 THR 29 2HG2 THR 29 -5.540 -1.806 -6.638
196 HG23 THR 29 3HG2 THR 29 -3.987 -1.030 -6.951
197 H GLY 30 H GLY 30 -1.085 -3.974 -5.752
198 HA2 GLY 30 1HA GLY 30 0.808 -4.028 -7.253
199 HA3 GLY 30 2HA GLY 30 -0.069 -2.956 -8.336
200 H LEU 31 H LEU 31 0.408 -2.759 -4.850
201 HA LEU 31 HA LEU 31 1.662 -0.112 -5.256
202 HB2 LEU 31 1HB LEU 31 -0.291 -0.939 -3.105
203 HB3 LEU 31 2HB LEU 31 0.525 0.610 -3.176
204 HG LEU 31 HG LEU 31 -1.461 -0.423 -5.207
205 HD11 LEU 31 1HD1 LEU 31 -1.726 1.749 -3.132
206 HD12 LEU 31 2HD1 LEU 31 -2.482 0.160 -3.056
207 HD13 LEU 31 3HD1 LEU 31 -2.941 1.296 -4.327
208 HD21 LEU 31 1HD2 LEU 31 -1.343 1.837 -6.150
209 HD22 LEU 31 2HD2 LEU 31 0.218 1.021 -6.229
210 HD23 LEU 31 3HD2 LEU 31 -0.072 2.251 -4.998
211 H TYR 32 H TYR 32 2.724 0.614 -3.098
212 HA TYR 32 HA TYR 32 3.998 -1.699 -1.785
213 HB2 TYR 32 2HB TYR 32 5.195 0.892 -2.732
214 HB3 TYR 32 1HB TYR 32 5.939 -0.006 -1.418
215 HD1 TYR 32 1HD TYR 32 5.218 0.030 -5.011
216 HD2 TYR 32 2HD TYR 32 7.040 -2.135 -1.836
217 HE1 TYR 32 1HE TYR 32 6.402 -1.371 -6.651
218 HE2 TYR 32 2HE TYR 32 8.227 -3.540 -3.466
219 HH TYR 32 HH TYR 32 8.167 -4.217 -5.713
220 H TYR 33 H TYR 33 3.659 -1.780 0.355
221 HA TYR 33 HA TYR 33 2.513 0.569 1.668
222 HB2 TYR 33 2HB TYR 33 1.267 -1.484 1.963
223 HB3 TYR 33 1HB TYR 33 2.706 -2.329 2.521
224 HD1 TYR 33 1HD TYR 33 0.319 0.371 3.395
225 HD2 TYR 33 2HD TYR 33 3.300 -2.318 4.798
226 HE1 TYR 33 1HE TYR 33 -0.254 0.954 5.710
227 HE2 TYR 33 2HE TYR 33 2.738 -1.742 7.119
228 HH TYR 33 HH TYR 33 -0.088 0.088 7.913
229 H ASP 34 H ASP 34 3.707 1.831 2.944
230 HA ASP 34 HA ASP 34 6.354 0.926 3.752
231 HB2 ASP 34 1HB ASP 34 6.132 3.240 2.910
232 HB3 ASP 34 2HB ASP 34 5.014 3.600 4.223
233 HA PRO 35 HA PRO 35 4.634 -0.403 7.657
234 HB2 PRO 35 2HB PRO 35 7.082 -1.112 8.706
235 HB3 PRO 35 1HB PRO 35 6.061 -2.169 7.726
236 HG2 PRO 35 2HG PRO 35 8.488 -0.647 6.968
237 HG3 PRO 35 1HG PRO 35 7.883 -2.188 6.346
238 HD2 PRO 35 2HD PRO 35 7.686 0.202 5.025
239 HD3 PRO 35 1HD PRO 35 6.593 -1.169 4.766
240 H ASN 36 H ASN 36 7.040 2.018 7.071
241 HA ASN 36 HA ASN 36 7.261 2.727 9.877
242 HB2 ASN 36 1HB ASN 36 9.177 2.843 8.191
243 HB3 ASN 36 2HB ASN 36 8.390 4.287 7.558
244 HD21 ASN 36 1HD2 ASN 36 9.451 4.583 11.480
245 HD22 ASN 36 2HD2 ASN 36 8.514 3.242 10.906
246 H SER 37 H SER 37 6.143 4.323 6.893
247 HA SER 37 HA SER 37 4.923 6.474 8.384
248 HB2 SER 37 1HB SER 37 4.617 5.810 5.446
249 HB3 SER 37 2HB SER 37 4.319 7.364 6.219
250 HG SER 37 HG SER 37 6.778 6.044 5.752
251 H GLN 38 H GLN 38 4.033 3.385 7.293
252 HA GLN 38 HA GLN 38 2.154 2.154 7.292
253 HB2 GLN 38 1HB GLN 38 1.198 4.326 9.148
254 HB3 GLN 38 2HB GLN 38 0.260 2.885 8.781
255 HG2 GLN 38 1HG GLN 38 2.194 1.527 9.592
256 HG3 GLN 38 2HG GLN 38 2.935 3.029 10.137
257 HE21 GLN 38 1HE2 GLN 38 -0.628 2.356 11.973
258 HE22 GLN 38 2HE2 GLN 38 -0.503 2.492 10.252
259 H TYR 39 H TYR 39 2.624 4.121 5.274
260 HA TYR 39 HA TYR 39 -0.135 4.515 4.334
261 HB2 TYR 39 2HB TYR 39 2.327 6.200 3.866
262 HB3 TYR 39 1HB TYR 39 0.897 6.322 2.850
263 HD1 TYR 39 1HD TYR 39 2.514 7.883 5.427
264 HD2 TYR 39 2HD TYR 39 -1.366 6.442 4.432
265 HE1 TYR 39 1HE TYR 39 1.517 9.476 7.015
266 HE2 TYR 39 2HE TYR 39 -2.367 8.034 6.017
267 HH TYR 39 HH TYR 39 -0.695 10.628 7.329
268 H TYR 40 H TYR 40 -0.328 4.453 1.952
269 HA TYR 40 HA TYR 40 1.316 2.277 0.901
270 HB2 TYR 40 2HB TYR 40 -1.370 3.374 0.074
271 HB3 TYR 40 1HB TYR 40 -0.477 2.205 -0.897
272 HD1 TYR 40 1HD TYR 40 -2.320 2.732 2.230
273 HD2 TYR 40 2HD TYR 40 -0.240 -0.087 -0.187
274 HE1 TYR 40 1HE TYR 40 -3.232 0.901 3.592
275 HE2 TYR 40 2HE TYR 40 -1.151 -1.926 1.164
276 HH TYR 40 HH TYR 40 -2.180 -2.423 3.135
277 H TYR 41 H TYR 41 2.117 2.364 -1.217
278 HA TYR 41 HA TYR 41 2.695 5.087 -2.160
279 HB2 TYR 41 2HB TYR 41 4.624 4.130 -0.990
280 HB3 TYR 41 1HB TYR 41 4.535 2.690 -1.992
281 HD1 TYR 41 1HD TYR 41 5.088 6.361 -2.172
282 HD2 TYR 41 2HD TYR 41 5.753 2.570 -3.981
283 HE1 TYR 41 1HE TYR 41 6.644 7.400 -3.758
284 HE2 TYR 41 2HE TYR 41 7.316 3.595 -5.571
285 HH TYR 41 HH TYR 41 8.580 6.697 -5.156
286 H ASN 42 H ASN 42 2.006 5.398 -4.153
287 HA ASN 42 HA ASN 42 1.225 3.184 -5.834
288 HB2 ASN 42 1HB ASN 42 -0.009 5.385 -5.761
289 HB3 ASN 42 2HB ASN 42 1.371 6.119 -6.570
290 HD21 ASN 42 1HD2 ASN 42 -1.407 4.964 -8.897
291 HD22 ASN 42 2HD2 ASN 42 -1.452 5.760 -7.362
292 H SER 43 H SER 43 2.588 2.109 -7.067
293 HA SER 43 HA SER 43 5.326 2.761 -7.145
294 HB2 SER 43 1HB SER 43 4.042 0.785 -9.010
295 HB3 SER 43 2HB SER 43 5.608 0.696 -8.200
296 HG SER 43 HG SER 43 3.260 -0.268 -7.375
297 H LEU 44 H LEU 44 2.705 3.488 -9.289
298 HA LEU 44 HA LEU 44 4.491 4.055 -11.513
299 HB2 LEU 44 1HB LEU 44 2.356 2.912 -11.914
300 HB3 LEU 44 2HB LEU 44 1.494 4.298 -11.280
301 HG LEU 44 HG LEU 44 2.378 5.671 -13.138
302 HD11 LEU 44 1HD1 LEU 44 3.465 4.597 -15.025
303 HD12 LEU 44 2HD1 LEU 44 3.437 3.050 -14.180
304 HD13 LEU 44 3HD1 LEU 44 4.417 4.377 -13.557
305 HD21 LEU 44 1HD2 LEU 44 0.183 4.652 -13.322
306 HD22 LEU 44 2HD2 LEU 44 0.905 3.168 -13.944
307 HD23 LEU 44 3HD2 LEU 44 0.989 4.654 -14.891
308 H THR 45 H THR 45 2.156 5.807 -9.483
309 HA THR 45 HA THR 45 2.873 8.323 -10.740
310 HB THR 45 HB THR 45 0.948 7.880 -8.447
311 HG1 THR 45 1HG THR 45 0.610 7.670 -11.272
312 HG21 THR 45 1HG2 THR 45 -0.091 9.941 -9.282
313 HG22 THR 45 2HG2 THR 45 1.154 10.067 -10.524
314 HG23 THR 45 3HG2 THR 45 1.588 10.216 -8.821
315 H GLN 46 H GLN 46 3.829 6.464 -8.110
316 HA GLN 46 HA GLN 46 5.289 6.721 -6.428
317 HB2 GLN 46 1HB GLN 46 6.107 9.197 -7.953
318 HB3 GLN 46 2HB GLN 46 7.052 8.408 -6.696
319 HG2 GLN 46 1HG GLN 46 7.217 6.399 -8.059
320 HG3 GLN 46 2HG GLN 46 6.240 7.157 -9.312
321 HE21 GLN 46 1HE2 GLN 46 9.262 7.949 -10.838
322 HE22 GLN 46 2HE2 GLN 46 7.823 6.987 -10.857
323 H GLN 47 H GLN 47 2.723 7.608 -5.960
324 HA GLN 47 HA GLN 47 3.113 9.949 -4.219
325 HB2 GLN 47 1HB GLN 47 0.738 10.380 -4.424
326 HB3 GLN 47 2HB GLN 47 1.444 10.257 -6.027
327 HG2 GLN 47 1HG GLN 47 0.588 8.009 -6.270
328 HG3 GLN 47 2HG GLN 47 -0.048 8.050 -4.627
329 HE21 GLN 47 1HE2 GLN 47 -2.312 10.821 -5.906
330 HE22 GLN 47 2HE2 GLN 47 -0.885 10.865 -4.925
331 H TYR 48 H TYR 48 1.619 9.900 -2.281
332 HA TYR 48 HA TYR 48 1.677 7.208 -1.129
333 HB2 TYR 48 2HB TYR 48 1.962 9.936 0.071
334 HB3 TYR 48 1HB TYR 48 1.426 8.585 1.068
335 HD1 TYR 48 1HD TYR 48 4.186 9.712 -1.154
336 HD2 TYR 48 2HD TYR 48 2.959 7.057 1.933
337 HE1 TYR 48 1HE TYR 48 6.518 8.996 -0.844
338 HE2 TYR 48 2HE TYR 48 5.279 6.333 2.249
339 HH TYR 48 HH TYR 48 7.913 7.987 0.943
340 H LEU 49 H LEU 49 -0.031 6.354 -0.113
341 HA LEU 49 HA LEU 49 -2.623 7.720 -0.391
342 HB2 LEU 49 1HB LEU 49 -2.010 4.896 -1.282
343 HB3 LEU 49 2HB LEU 49 -3.588 5.655 -1.311
344 HG LEU 49 HG LEU 49 -1.344 6.907 -2.839
345 HD11 LEU 49 1HD1 LEU 49 -1.269 4.583 -3.513
346 HD12 LEU 49 2HD1 LEU 49 -1.974 5.568 -4.797
347 HD13 LEU 49 3HD1 LEU 49 -3.015 4.579 -3.771
348 HD21 LEU 49 1HD2 LEU 49 -3.178 7.641 -4.261
349 HD22 LEU 49 2HD2 LEU 49 -3.471 8.089 -2.578
350 HD23 LEU 49 3HD2 LEU 49 -4.318 6.713 -3.287
351 H TYR 50 H TYR 50 -4.369 6.426 0.757
352 HA TYR 50 HA TYR 50 -3.398 4.565 2.767
353 HB2 TYR 50 2HB TYR 50 -4.311 5.703 4.654
354 HB3 TYR 50 1HB TYR 50 -3.308 6.866 3.802
355 HD1 TYR 50 1HD TYR 50 -4.409 8.686 2.469
356 HD2 TYR 50 2HD TYR 50 -6.627 6.050 4.964
357 HE1 TYR 50 1HE TYR 50 -6.292 10.271 2.462
358 HE2 TYR 50 2HE TYR 50 -8.520 7.615 4.953
359 HH TYR 50 HH TYR 50 -8.734 10.232 2.811
360 H TRP 51 H TRP 51 -5.098 3.291 3.687
361 HA TRP 51 HA TRP 51 -7.244 2.900 1.795
362 HB2 TRP 51 2HB TRP 51 -6.182 0.897 2.572
363 HB3 TRP 51 1HB TRP 51 -6.388 1.369 4.257
364 HD1 TRP 51 1HD TRP 51 -8.592 0.650 5.437
365 HE1 TRP 51 1HE TRP 51 -10.712 -0.596 4.688
366 HE3 TRP 51 3HE TRP 51 -7.743 0.563 0.396
367 HZ2 TRP 51 2HZ TRP 51 -11.872 -1.496 2.286
368 HZ3 TRP 51 3HZ TRP 51 -9.409 -0.511 -1.058
369 HH2 TRP 51 2HH TRP 51 -11.431 -1.519 -0.132
370 H ASP 52 H ASP 52 -9.148 3.846 1.967
371 HA ASP 52 HA ASP 52 -10.127 4.539 4.651
372 HB2 ASP 52 1HB ASP 52 -10.079 6.444 3.117
373 HB3 ASP 52 2HB ASP 52 -11.052 5.555 1.950
374 H GLY 53 H GLY 53 -11.725 3.384 5.503
375 HA2 GLY 53 1HA GLY 53 -12.563 1.013 4.125
376 HA3 GLY 53 2HA GLY 53 -13.038 1.498 5.744
377 H GLU 54 H GLU 54 -13.840 4.153 4.271
378 HA GLU 54 HA GLU 54 -16.599 3.305 3.965
379 HB2 GLU 54 1HB GLU 54 -16.032 5.298 5.316
380 HB3 GLU 54 2HB GLU 54 -15.384 6.073 3.879
381 HG2 GLU 54 1HG GLU 54 -17.567 6.100 2.856
382 HG3 GLU 54 2HG GLU 54 -18.247 5.211 4.219
383 H LYS 55 H LYS 55 -14.128 5.026 2.058
384 HA LYS 55 HA LYS 55 -15.804 4.985 -0.297
385 HB2 LYS 55 1HB LYS 55 -12.875 5.687 -0.102
386 HB3 LYS 55 2HB LYS 55 -13.959 6.069 -1.433
387 HG2 LYS 55 1HG LYS 55 -14.017 7.201 1.356
388 HG3 LYS 55 2HG LYS 55 -13.622 8.046 -0.140
389 HD2 LYS 55 1HD LYS 55 -16.306 6.881 0.597
390 HD3 LYS 55 2HD LYS 55 -15.878 8.592 0.610
391 HE2 LYS 55 1HE LYS 55 -15.442 8.451 -1.823
392 HE3 LYS 55 2HE LYS 55 -15.984 6.773 -1.795
393 HZ1 LYS 55 1HZ LYS 55 -17.592 9.190 -1.192
394 HZ2 LYS 55 2HZ LYS 55 -18.134 7.611 -0.899
395 HZ3 LYS 55 3HZ LYS 55 -17.802 8.111 -2.486
396 H GLU 56 H GLU 56 -13.604 2.901 1.189
397 HA GLU 56 HA GLU 56 -12.877 0.813 0.730
398 HB2 GLU 56 1HB GLU 56 -14.952 0.919 -1.466
399 HB3 GLU 56 2HB GLU 56 -14.167 -0.537 -0.862
400 HG2 GLU 56 1HG GLU 56 -15.198 -0.312 1.264
401 HG3 GLU 56 2HG GLU 56 -15.792 1.298 0.869
402 H THR 57 H THR 57 -11.349 2.852 -0.283
403 HA THR 57 HA THR 57 -9.958 1.514 -2.414
404 HB THR 57 HB THR 57 -11.676 2.769 -3.675
405 HG1 THR 57 1HG THR 57 -9.808 4.290 -4.659
406 HG21 THR 57 1HG2 THR 57 -11.650 5.214 -3.705
407 HG22 THR 57 2HG2 THR 57 -10.407 5.223 -2.453
408 HG23 THR 57 3HG2 THR 57 -12.019 4.604 -2.090
409 H TYR 58 H TYR 58 -7.978 2.857 -3.030
410 HA TYR 58 HA TYR 58 -6.832 3.935 -0.576
411 HB2 TYR 58 2HB TYR 58 -5.489 3.313 -3.213
412 HB3 TYR 58 1HB TYR 58 -4.678 3.745 -1.714
413 HD1 TYR 58 1HD TYR 58 -4.591 2.151 0.156
414 HD2 TYR 58 2HD TYR 58 -6.329 1.082 -3.579
415 HE1 TYR 58 1HE TYR 58 -4.479 -0.223 0.785
416 HE2 TYR 58 2HE TYR 58 -6.221 -1.294 -2.955
417 HH TYR 58 HH TYR 58 -5.573 -2.336 0.213
418 H VAL 59 H VAL 59 -7.005 6.004 -0.245
419 HA VAL 59 HA VAL 59 -7.207 7.824 -2.537
420 HB VAL 59 HB VAL 59 -8.136 9.422 -0.722
421 HG11 VAL 59 1HG1 VAL 59 -9.692 6.993 -1.612
422 HG12 VAL 59 2HG1 VAL 59 -9.495 8.496 -2.510
423 HG13 VAL 59 3HG1 VAL 59 -10.400 8.487 -0.999
424 HG21 VAL 59 1HG2 VAL 59 -7.509 8.102 1.221
425 HG22 VAL 59 2HG2 VAL 59 -8.508 6.765 0.658
426 HG23 VAL 59 3HG2 VAL 59 -9.260 8.285 1.144
427 HA PRO 60 HA PRO 60 -3.295 9.556 -1.829
428 HB2 PRO 60 2HB PRO 60 -4.531 12.234 -2.124
429 HB3 PRO 60 1HB PRO 60 -3.214 11.495 -3.041
430 HG2 PRO 60 2HG PRO 60 -5.648 11.750 -4.098
431 HG3 PRO 60 1HG PRO 60 -4.658 10.313 -4.411
432 HD2 PRO 60 2HD PRO 60 -6.992 10.638 -2.577
433 HD3 PRO 60 1HD PRO 60 -6.532 9.253 -3.586
434 H ALA 61 H ALA 61 -2.327 9.687 0.038
435 HA ALA 61 HA ALA 61 -3.557 10.889 2.353
436 HB1 ALA 61 1HB ALA 61 -2.181 8.868 2.559
437 HB2 ALA 61 2HB ALA 61 -1.531 10.191 3.528
438 HB3 ALA 61 3HB ALA 61 -0.776 9.769 1.991
439 H ALA 62 H ALA 62 -1.692 11.947 -0.231
440 HA ALA 62 HA ALA 62 -0.794 14.334 1.227
441 HB1 ALA 62 1HB ALA 62 0.098 13.290 -1.461
442 HB2 ALA 62 2HB ALA 62 0.974 13.118 0.058
443 HB3 ALA 62 3HB ALA 62 0.732 14.718 -0.640
444 H GLU 63 H GLU 63 -3.524 13.824 0.388
445 HA GLU 63 HA GLU 63 -4.068 15.474 -1.890
446 HB2 GLU 63 1HB GLU 63 -5.579 13.647 -1.256
447 HB3 GLU 63 2HB GLU 63 -5.899 14.431 0.284
448 HG2 GLU 63 1HG GLU 63 -7.746 14.825 -1.160
449 HG3 GLU 63 2HG GLU 63 -6.878 16.343 -0.952
450 H SER 64 H SER 64 -3.757 17.590 -1.821
451 HA SER 64 HA SER 64 -3.837 19.055 0.659
452 HB2 SER 64 1HB SER 64 -3.447 20.058 -2.171
453 HB3 SER 64 2HB SER 64 -3.105 20.950 -0.689
454 HG SER 64 HG SER 64 -1.430 19.561 -0.236
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -27.647 -5.933 -6.149
2 H2 GLY 1 2H GLY 1 -28.634 -4.822 -5.329
3 H3 GLY 1 3H GLY 1 -29.313 -6.210 -6.024
4 HA2 GLY 1 1HA GLY 1 -29.080 -6.370 -3.586
5 HA3 GLY 1 2HA GLY 1 -28.240 -7.632 -4.477
6 H ALA 2 H ALA 2 -27.091 -7.733 -2.332
7 HA ALA 2 HA ALA 2 -25.061 -5.647 -2.016
8 HB1 ALA 2 1HB ALA 2 -26.253 -6.356 -0.010
9 HB2 ALA 2 2HB ALA 2 -24.533 -6.738 0.107
10 HB3 ALA 2 3HB ALA 2 -25.699 -8.013 -0.257
11 H MET 3 H MET 3 -25.308 -8.151 -3.966
12 HA MET 3 HA MET 3 -22.758 -9.430 -3.454
13 HB2 MET 3 1HB MET 3 -24.730 -9.778 -5.719
14 HB3 MET 3 2HB MET 3 -23.275 -10.740 -5.501
15 HG2 MET 3 1HG MET 3 -24.136 -11.588 -3.393
16 HG3 MET 3 2HG MET 3 -25.585 -10.599 -3.579
17 HE1 MET 3 1HE MET 3 -27.117 -12.713 -3.233
18 HE2 MET 3 2HE MET 3 -25.689 -13.728 -3.031
19 HE3 MET 3 3HE MET 3 -26.960 -14.209 -4.155
20 H GLY 4 H GLY 4 -21.780 -7.200 -3.623
21 HA2 GLY 4 1HA GLY 4 -20.641 -6.979 -6.302
22 HA3 GLY 4 2HA GLY 4 -21.439 -5.548 -5.662
23 H THR 5 H THR 5 -19.691 -7.803 -3.650
24 HA THR 5 HA THR 5 -18.044 -5.719 -2.592
25 HB THR 5 HB THR 5 -17.791 -8.697 -2.196
26 HG1 THR 5 1HG THR 5 -19.270 -6.751 -0.724
27 HG21 THR 5 1HG2 THR 5 -15.818 -7.471 -1.451
28 HG22 THR 5 2HG2 THR 5 -16.723 -8.078 -0.063
29 HG23 THR 5 3HG2 THR 5 -16.836 -6.376 -0.514
30 H LYS 6 H LYS 6 -16.040 -5.145 -3.146
31 HA LYS 6 HA LYS 6 -14.629 -6.770 -5.161
32 HB2 LYS 6 1HB LYS 6 -14.774 -3.750 -5.190
33 HB3 LYS 6 2HB LYS 6 -14.046 -4.791 -6.404
34 HG2 LYS 6 1HG LYS 6 -16.223 -5.661 -7.010
35 HG3 LYS 6 2HG LYS 6 -16.983 -4.691 -5.746
36 HD2 LYS 6 1HD LYS 6 -16.050 -2.659 -6.902
37 HD3 LYS 6 2HD LYS 6 -15.589 -3.721 -8.234
38 HE2 LYS 6 1HE LYS 6 -17.706 -2.693 -8.741
39 HE3 LYS 6 2HE LYS 6 -17.954 -4.414 -8.449
40 HZ1 LYS 6 1HZ LYS 6 -18.538 -2.179 -6.583
41 HZ2 LYS 6 2HZ LYS 6 -18.608 -3.811 -6.146
42 HZ3 LYS 6 3HZ LYS 6 -19.662 -3.209 -7.328
43 H TYR 7 H TYR 7 -13.986 -3.677 -3.547
44 HA TYR 7 HA TYR 7 -11.354 -4.676 -2.775
45 HB2 TYR 7 2HB TYR 7 -12.559 -1.916 -2.908
46 HB3 TYR 7 1HB TYR 7 -11.021 -2.222 -2.109
47 HD1 TYR 7 1HD TYR 7 -12.746 -2.728 -5.382
48 HD2 TYR 7 2HD TYR 7 -9.060 -2.141 -3.342
49 HE1 TYR 7 1HE TYR 7 -11.583 -2.554 -7.539
50 HE2 TYR 7 2HE TYR 7 -7.889 -1.963 -5.494
51 HH TYR 7 HH TYR 7 -9.596 -1.739 -8.500
52 H ALA 8 H ALA 8 -10.814 -5.137 -0.740
53 HA ALA 8 HA ALA 8 -12.597 -4.252 1.422
54 HB1 ALA 8 1HB ALA 8 -12.332 -6.389 2.535
55 HB2 ALA 8 2HB ALA 8 -11.299 -6.970 1.227
56 HB3 ALA 8 3HB ALA 8 -13.004 -6.630 0.922
57 H VAL 9 H VAL 9 -11.377 -4.708 3.625
58 HA VAL 9 HA VAL 9 -9.114 -3.064 3.664
59 HB VAL 9 HB VAL 9 -8.780 -3.796 5.989
60 HG11 VAL 9 1HG1 VAL 9 -11.655 -3.277 5.262
61 HG12 VAL 9 2HG1 VAL 9 -10.404 -2.060 5.510
62 HG13 VAL 9 3HG1 VAL 9 -10.948 -3.055 6.861
63 HG21 VAL 9 1HG2 VAL 9 -9.343 -6.170 5.717
64 HG22 VAL 9 2HG2 VAL 9 -11.032 -5.732 5.463
65 HG23 VAL 9 3HG2 VAL 9 -10.267 -5.423 7.021
66 HA PRO 10 HA PRO 10 -6.018 -5.987 2.475
67 HB2 PRO 10 2HB PRO 10 -3.922 -4.239 2.674
68 HB3 PRO 10 1HB PRO 10 -5.036 -4.309 1.309
69 HG2 PRO 10 2HG PRO 10 -4.765 -2.256 3.350
70 HG3 PRO 10 1HG PRO 10 -5.673 -2.212 1.834
71 HD2 PRO 10 2HD PRO 10 -6.654 -2.643 4.526
72 HD3 PRO 10 1HD PRO 10 -7.573 -2.422 3.028
73 H ASP 11 H ASP 11 -4.342 -7.188 3.317
74 HA ASP 11 HA ASP 11 -3.608 -6.657 6.117
75 HB2 ASP 11 1HB ASP 11 -5.057 -8.656 5.936
76 HB3 ASP 11 2HB ASP 11 -3.911 -9.365 4.802
77 H THR 12 H THR 12 -1.447 -6.515 6.510
78 HA THR 12 HA THR 12 0.187 -6.470 4.118
79 HB THR 12 HB THR 12 1.836 -5.294 5.551
80 HG1 THR 12 1HG THR 12 1.267 -4.823 7.680
81 HG21 THR 12 1HG2 THR 12 0.472 -3.266 5.871
82 HG22 THR 12 2HG2 THR 12 -0.991 -4.226 5.640
83 HG23 THR 12 3HG2 THR 12 0.154 -4.030 4.312
84 H SER 13 H SER 13 -0.514 -8.884 6.163
85 HA SER 13 HA SER 13 2.170 -10.036 6.312
86 HB2 SER 13 1HB SER 13 0.397 -10.447 8.089
87 HB3 SER 13 2HB SER 13 -0.497 -11.360 6.874
88 HG SER 13 HG SER 13 1.622 -12.117 8.397
89 H THR 14 H THR 14 -0.616 -9.864 4.440
90 HA THR 14 HA THR 14 -0.229 -12.062 2.700
91 HB THR 14 HB THR 14 -1.953 -9.631 2.926
92 HG1 THR 14 1HG THR 14 -3.583 -11.187 3.000
93 HG21 THR 14 1HG2 THR 14 -3.102 -10.176 0.861
94 HG22 THR 14 2HG2 THR 14 -1.856 -11.368 0.487
95 HG23 THR 14 3HG2 THR 14 -1.443 -9.657 0.597
96 H TYR 15 H TYR 15 1.159 -8.984 3.084
97 HA TYR 15 HA TYR 15 1.743 -8.443 0.331
98 HB2 TYR 15 2HB TYR 15 2.586 -7.157 2.918
99 HB3 TYR 15 1HB TYR 15 3.244 -6.651 1.366
100 HD1 TYR 15 1HD TYR 15 -0.247 -7.730 1.845
101 HD2 TYR 15 2HD TYR 15 2.389 -4.426 1.415
102 HE1 TYR 15 1HE TYR 15 -2.173 -6.246 1.522
103 HE2 TYR 15 2HE TYR 15 0.467 -2.929 1.096
104 HH TYR 15 HH TYR 15 -2.078 -3.406 0.165
105 H GLN 16 H GLN 16 3.989 -8.033 -0.374
106 HA GLN 16 HA GLN 16 5.735 -10.232 0.537
107 HB2 GLN 16 1HB GLN 16 5.838 -8.909 -2.174
108 HB3 GLN 16 2HB GLN 16 6.484 -10.478 -1.704
109 HG2 GLN 16 1HG GLN 16 4.210 -11.333 -1.442
110 HG3 GLN 16 2HG GLN 16 3.569 -9.762 -1.916
111 HE21 GLN 16 1HE2 GLN 16 3.658 -12.170 -4.783
112 HE22 GLN 16 2HE2 GLN 16 3.073 -12.275 -3.154
113 H TYR 17 H TYR 17 7.219 -9.322 1.883
114 HA TYR 17 HA TYR 17 7.925 -6.566 1.677
115 HB2 TYR 17 2HB TYR 17 7.829 -7.636 3.853
116 HB3 TYR 17 1HB TYR 17 9.094 -8.769 3.384
117 HD1 TYR 17 1HD TYR 17 8.437 -5.139 3.873
118 HD2 TYR 17 2HD TYR 17 11.341 -8.246 3.768
119 HE1 TYR 17 1HE TYR 17 10.143 -3.562 4.677
120 HE2 TYR 17 2HE TYR 17 13.054 -6.680 4.578
121 HH TYR 17 HH TYR 17 12.305 -3.643 5.868
122 H ASP 18 H ASP 18 9.485 -5.648 0.534
123 HA ASP 18 HA ASP 18 11.698 -7.345 -0.407
124 HB2 ASP 18 1HB ASP 18 10.584 -6.270 -2.264
125 HB3 ASP 18 2HB ASP 18 10.705 -4.700 -1.481
126 H GLU 19 H GLU 19 13.660 -6.989 0.281
127 HA GLU 19 HA GLU 19 14.072 -5.087 2.413
128 HB2 GLU 19 1HB GLU 19 16.256 -6.236 2.615
129 HB3 GLU 19 2HB GLU 19 14.883 -7.325 2.650
130 HG2 GLU 19 1HG GLU 19 15.256 -7.866 0.289
131 HG3 GLU 19 2HG GLU 19 16.685 -6.833 0.308
132 H SER 20 H SER 20 14.764 -5.370 -0.938
133 HA SER 20 HA SER 20 17.046 -3.645 -0.957
134 HB2 SER 20 1HB SER 20 16.622 -5.414 -2.654
135 HB3 SER 20 2HB SER 20 15.244 -4.482 -3.239
136 HG SER 20 HG SER 20 17.153 -4.098 -4.469
137 H SER 21 H SER 21 13.628 -3.251 -1.055
138 HA SER 21 HA SER 21 13.971 -0.410 -1.744
139 HB2 SER 21 1HB SER 21 12.485 -1.867 -3.224
140 HB3 SER 21 2HB SER 21 11.364 -1.931 -1.867
141 HG SER 21 HG SER 21 11.339 -0.141 -3.661
142 H GLY 22 H GLY 22 12.676 -2.685 0.589
143 HA2 GLY 22 1HA GLY 22 12.442 -2.268 2.878
144 HA3 GLY 22 2HA GLY 22 12.645 -0.549 2.565
145 H TYR 23 H TYR 23 10.397 -2.366 0.692
146 HA TYR 23 HA TYR 23 8.158 -1.215 2.224
147 HB2 TYR 23 2HB TYR 23 8.453 -1.412 -0.781
148 HB3 TYR 23 1HB TYR 23 6.959 -0.984 0.041
149 HD1 TYR 23 1HD TYR 23 10.100 0.194 -1.225
150 HD2 TYR 23 2HD TYR 23 6.895 1.136 1.402
151 HE1 TYR 23 1HE TYR 23 10.762 2.557 -1.280
152 HE2 TYR 23 2HE TYR 23 7.550 3.501 1.362
153 HH TYR 23 HH TYR 23 9.351 4.921 0.837
154 H TYR 24 H TYR 24 6.235 -2.422 2.216
155 HA TYR 24 HA TYR 24 6.484 -5.235 1.507
156 HB2 TYR 24 2HB TYR 24 4.320 -3.618 2.852
157 HB3 TYR 24 1HB TYR 24 4.070 -5.293 2.367
158 HD1 TYR 24 1HD TYR 24 5.323 -7.097 3.455
159 HD2 TYR 24 2HD TYR 24 5.666 -3.063 4.760
160 HE1 TYR 24 1HE TYR 24 6.311 -7.872 5.559
161 HE2 TYR 24 2HE TYR 24 6.660 -3.826 6.874
162 HH TYR 24 HH TYR 24 7.893 -6.860 7.341
163 H TYR 25 H TYR 25 6.097 -5.839 -0.544
164 HA TYR 25 HA TYR 25 4.796 -4.051 -2.356
165 HB2 TYR 25 2HB TYR 25 6.584 -5.424 -3.211
166 HB3 TYR 25 1HB TYR 25 5.766 -6.897 -2.696
167 HD1 TYR 25 1HD TYR 25 5.318 -3.951 -4.939
168 HD2 TYR 25 2HD TYR 25 4.428 -8.047 -4.211
169 HE1 TYR 25 1HE TYR 25 4.214 -4.095 -7.134
170 HE2 TYR 25 2HE TYR 25 3.324 -8.206 -6.400
171 HH TYR 25 HH TYR 25 3.604 -5.767 -8.789
172 H ASP 26 H ASP 26 2.792 -4.021 -3.039
173 HA ASP 26 HA ASP 26 0.883 -5.924 -1.892
174 HB2 ASP 26 1HB ASP 26 0.400 -3.643 -1.306
175 HB3 ASP 26 2HB ASP 26 0.576 -3.116 -2.972
176 HA PRO 27 HA PRO 27 0.637 -7.308 -6.252
177 HB2 PRO 27 2HB PRO 27 -0.235 -9.795 -5.609
178 HB3 PRO 27 1HB PRO 27 1.478 -9.357 -5.617
179 HG2 PRO 27 2HG PRO 27 -0.413 -9.546 -3.299
180 HG3 PRO 27 1HG PRO 27 1.261 -10.124 -3.431
181 HD2 PRO 27 2HD PRO 27 0.633 -7.810 -2.180
182 HD3 PRO 27 1HD PRO 27 2.150 -8.032 -3.070
183 H THR 28 H THR 28 -1.524 -6.909 -3.649
184 HA THR 28 HA THR 28 -3.921 -7.913 -4.710
185 HB THR 28 HB THR 28 -3.947 -5.473 -2.985
186 HG1 THR 28 1HG THR 28 -2.601 -6.373 -1.637
187 HG21 THR 28 1HG2 THR 28 -5.703 -6.734 -1.828
188 HG22 THR 28 2HG2 THR 28 -5.416 -8.112 -2.891
189 HG23 THR 28 3HG2 THR 28 -6.041 -6.603 -3.554
190 H THR 29 H THR 29 -2.612 -4.604 -4.669
191 HA THR 29 HA THR 29 -4.402 -3.940 -6.916
192 HB THR 29 HB THR 29 -3.194 -1.923 -5.033
193 HG1 THR 29 1HG THR 29 -4.397 -3.136 -3.655
194 HG21 THR 29 1HG2 THR 29 -4.122 -1.072 -7.126
195 HG22 THR 29 2HG2 THR 29 -5.115 -0.569 -5.758
196 HG23 THR 29 3HG2 THR 29 -5.647 -1.894 -6.796
197 H GLY 30 H GLY 30 -1.179 -3.502 -5.520
198 HA2 GLY 30 1HA GLY 30 0.676 -3.715 -7.195
199 HA3 GLY 30 2HA GLY 30 -0.237 -2.571 -8.177
200 H LEU 31 H LEU 31 0.279 -2.556 -4.703
201 HA LEU 31 HA LEU 31 1.479 0.127 -4.994
202 HB2 LEU 31 1HB LEU 31 -0.210 -0.947 -2.734
203 HB3 LEU 31 2HB LEU 31 0.491 0.657 -2.805
204 HG LEU 31 HG LEU 31 -1.621 -0.422 -4.674
205 HD11 LEU 31 1HD1 LEU 31 -1.790 1.623 -2.466
206 HD12 LEU 31 2HD1 LEU 31 -2.454 -0.010 -2.416
207 HD13 LEU 31 3HD1 LEU 31 -3.098 1.170 -3.560
208 HD21 LEU 31 1HD2 LEU 31 -1.742 1.867 -5.524
209 HD22 LEU 31 2HD2 LEU 31 -0.138 1.178 -5.779
210 HD23 LEU 31 3HD2 LEU 31 -0.404 2.332 -4.473
211 H TYR 32 H TYR 32 2.720 0.761 -2.950
212 HA TYR 32 HA TYR 32 4.117 -1.563 -1.793
213 HB2 TYR 32 2HB TYR 32 5.184 1.106 -2.671
214 HB3 TYR 32 1HB TYR 32 6.014 0.178 -1.431
215 HD1 TYR 32 1HD TYR 32 6.989 -2.029 -1.995
216 HD2 TYR 32 2HD TYR 32 5.331 0.507 -4.981
217 HE1 TYR 32 1HE TYR 32 8.176 -3.306 -3.723
218 HE2 TYR 32 2HE TYR 32 6.509 -0.770 -6.724
219 HH TYR 32 HH TYR 32 7.973 -3.774 -6.142
220 H TYR 33 H TYR 33 3.869 -1.752 0.341
221 HA TYR 33 HA TYR 33 2.630 0.450 1.793
222 HB2 TYR 33 2HB TYR 33 1.569 -1.684 2.079
223 HB3 TYR 33 1HB TYR 33 3.099 -2.453 2.479
224 HD1 TYR 33 1HD TYR 33 0.610 0.014 3.696
225 HD2 TYR 33 2HD TYR 33 3.855 -2.545 4.694
226 HE1 TYR 33 1HE TYR 33 0.182 0.412 6.084
227 HE2 TYR 33 2HE TYR 33 3.442 -2.153 7.082
228 HH TYR 33 HH TYR 33 0.600 -0.776 8.238
229 H ASP 34 H ASP 34 3.797 1.803 2.973
230 HA ASP 34 HA ASP 34 6.549 1.163 3.659
231 HB2 ASP 34 1HB ASP 34 5.814 3.469 2.912
232 HB3 ASP 34 2HB ASP 34 4.953 3.617 4.438
233 HA PRO 35 HA PRO 35 4.949 -0.733 7.378
234 HB2 PRO 35 2HB PRO 35 7.439 -1.327 8.419
235 HB3 PRO 35 1HB PRO 35 6.527 -2.352 7.308
236 HG2 PRO 35 2HG PRO 35 8.814 -0.541 6.765
237 HG3 PRO 35 1HG PRO 35 8.370 -2.062 5.979
238 HD2 PRO 35 2HD PRO 35 7.961 0.404 4.879
239 HD3 PRO 35 1HD PRO 35 6.975 -1.020 4.499
240 H ASN 36 H ASN 36 7.278 1.865 7.274
241 HA ASN 36 HA ASN 36 7.115 2.277 10.148
242 HB2 ASN 36 1HB ASN 36 9.240 2.545 8.737
243 HB3 ASN 36 2HB ASN 36 8.541 4.064 8.195
244 HD21 ASN 36 1HD2 ASN 36 9.073 3.925 12.221
245 HD22 ASN 36 2HD2 ASN 36 8.190 2.673 11.402
246 H SER 37 H SER 37 6.210 3.941 7.162
247 HA SER 37 HA SER 37 4.984 6.113 8.666
248 HB2 SER 37 1HB SER 37 4.910 5.696 5.674
249 HB3 SER 37 2HB SER 37 4.718 7.207 6.565
250 HG SER 37 HG SER 37 7.078 5.639 6.292
251 H GLN 38 H GLN 38 4.095 3.140 7.295
252 HA GLN 38 HA GLN 38 2.186 1.967 7.161
253 HB2 GLN 38 1HB GLN 38 1.226 4.089 9.069
254 HB3 GLN 38 2HB GLN 38 0.261 2.690 8.613
255 HG2 GLN 38 1HG GLN 38 1.954 1.203 9.507
256 HG3 GLN 38 2HG GLN 38 2.971 2.579 9.921
257 HE21 GLN 38 1HE2 GLN 38 0.157 3.537 12.289
258 HE22 GLN 38 2HE2 GLN 38 0.619 4.163 10.748
259 H TYR 39 H TYR 39 2.733 4.214 5.308
260 HA TYR 39 HA TYR 39 0.001 4.607 4.296
261 HB2 TYR 39 2HB TYR 39 2.558 6.116 3.796
262 HB3 TYR 39 1HB TYR 39 1.189 6.243 2.704
263 HD1 TYR 39 1HD TYR 39 -1.082 6.292 4.549
264 HD2 TYR 39 2HD TYR 39 2.716 8.180 4.844
265 HE1 TYR 39 1HE TYR 39 -2.078 8.060 5.932
266 HE2 TYR 39 2HE TYR 39 1.734 9.955 6.234
267 HH TYR 39 HH TYR 39 -0.462 10.973 6.629
268 H TYR 40 H TYR 40 -0.159 4.554 1.888
269 HA TYR 40 HA TYR 40 1.416 2.306 0.850
270 HB2 TYR 40 2HB TYR 40 -1.287 3.381 0.034
271 HB3 TYR 40 1HB TYR 40 -0.424 2.128 -0.855
272 HD1 TYR 40 1HD TYR 40 -2.480 2.870 2.028
273 HD2 TYR 40 2HD TYR 40 0.035 -0.055 0.234
274 HE1 TYR 40 1HE TYR 40 -3.407 1.161 3.532
275 HE2 TYR 40 2HE TYR 40 -0.891 -1.772 1.725
276 HH TYR 40 HH TYR 40 -2.022 -1.961 3.836
277 H TYR 41 H TYR 41 2.533 2.469 -0.974
278 HA TYR 41 HA TYR 41 2.810 5.148 -2.132
279 HB2 TYR 41 2HB TYR 41 4.854 4.380 -1.101
280 HB3 TYR 41 1HB TYR 41 4.743 2.833 -1.927
281 HD1 TYR 41 1HD TYR 41 6.176 2.529 -3.676
282 HD2 TYR 41 2HD TYR 41 4.780 6.463 -2.855
283 HE1 TYR 41 1HE TYR 41 7.547 3.394 -5.520
284 HE2 TYR 41 2HE TYR 41 6.144 7.340 -4.699
285 HH TYR 41 HH TYR 41 7.721 5.243 -6.973
286 H ASN 42 H ASN 42 1.809 5.346 -3.992
287 HA ASN 42 HA ASN 42 1.005 3.099 -5.577
288 HB2 ASN 42 1HB ASN 42 -0.249 5.293 -5.389
289 HB3 ASN 42 2HB ASN 42 1.010 6.019 -6.381
290 HD21 ASN 42 1HD2 ASN 42 -1.979 4.837 -8.369
291 HD22 ASN 42 2HD2 ASN 42 -1.844 5.724 -6.893
292 H SER 43 H SER 43 2.380 1.999 -6.825
293 HA SER 43 HA SER 43 4.961 3.026 -7.479
294 HB2 SER 43 1HB SER 43 4.435 0.612 -6.991
295 HB3 SER 43 2HB SER 43 3.639 0.527 -8.559
296 HG SER 43 HG SER 43 6.076 1.598 -8.858
297 H LEU 44 H LEU 44 1.914 3.195 -8.984
298 HA LEU 44 HA LEU 44 2.959 3.471 -11.678
299 HB2 LEU 44 1HB LEU 44 0.844 2.315 -11.346
300 HB3 LEU 44 2HB LEU 44 0.170 3.723 -10.552
301 HG LEU 44 HG LEU 44 0.378 4.972 -12.695
302 HD11 LEU 44 1HD1 LEU 44 0.741 3.713 -14.756
303 HD12 LEU 44 2HD1 LEU 44 1.110 2.271 -13.810
304 HD13 LEU 44 3HD1 LEU 44 2.164 3.682 -13.716
305 HD21 LEU 44 1HD2 LEU 44 -1.725 3.924 -12.015
306 HD22 LEU 44 2HD2 LEU 44 -1.243 2.436 -12.835
307 HD23 LEU 44 3HD2 LEU 44 -1.523 3.908 -13.766
308 H THR 45 H THR 45 1.252 5.508 -9.311
309 HA THR 45 HA THR 45 1.677 7.837 -11.019
310 HB THR 45 HB THR 45 0.177 7.822 -8.403
311 HG1 THR 45 1HG THR 45 -0.876 7.206 -10.995
312 HG21 THR 45 1HG2 THR 45 0.611 10.006 -9.391
313 HG22 THR 45 2HG2 THR 45 -1.105 9.617 -9.500
314 HG23 THR 45 3HG2 THR 45 -0.074 9.470 -10.925
315 H GLN 46 H GLN 46 3.054 6.313 -8.353
316 HA GLN 46 HA GLN 46 4.747 6.772 -6.938
317 HB2 GLN 46 1HB GLN 46 5.238 9.153 -8.734
318 HB3 GLN 46 2HB GLN 46 6.377 8.473 -7.577
319 HG2 GLN 46 1HG GLN 46 6.467 6.407 -8.830
320 HG3 GLN 46 2HG GLN 46 5.263 7.017 -9.967
321 HE21 GLN 46 1HE2 GLN 46 7.876 9.627 -10.852
322 HE22 GLN 46 2HE2 GLN 46 6.441 9.722 -9.890
323 H GLN 47 H GLN 47 2.352 7.469 -6.008
324 HA GLN 47 HA GLN 47 2.884 9.927 -4.491
325 HB2 GLN 47 1HB GLN 47 0.526 10.510 -4.568
326 HB3 GLN 47 2HB GLN 47 1.141 10.338 -6.204
327 HG2 GLN 47 1HG GLN 47 0.157 8.113 -6.351
328 HG3 GLN 47 2HG GLN 47 -0.468 8.283 -4.711
329 HE21 GLN 47 1HE2 GLN 47 -2.532 11.153 -6.079
330 HE22 GLN 47 2HE2 GLN 47 -1.120 11.120 -5.076
331 H TYR 48 H TYR 48 1.620 9.981 -2.418
332 HA TYR 48 HA TYR 48 1.656 7.290 -1.263
333 HB2 TYR 48 2HB TYR 48 2.060 10.019 -0.112
334 HB3 TYR 48 1HB TYR 48 1.525 8.706 0.936
335 HD1 TYR 48 1HD TYR 48 3.108 7.370 1.939
336 HD2 TYR 48 2HD TYR 48 4.157 9.452 -1.617
337 HE1 TYR 48 1HE TYR 48 5.414 6.556 2.152
338 HE2 TYR 48 2HE TYR 48 6.471 8.648 -1.412
339 HH TYR 48 HH TYR 48 7.992 7.793 0.193
340 H LEU 49 H LEU 49 -0.009 6.456 -0.110
341 HA LEU 49 HA LEU 49 -2.613 7.804 -0.383
342 HB2 LEU 49 1HB LEU 49 -1.993 5.003 -1.341
343 HB3 LEU 49 2HB LEU 49 -3.569 5.763 -1.357
344 HG LEU 49 HG LEU 49 -1.294 6.987 -2.880
345 HD11 LEU 49 1HD1 LEU 49 -1.397 4.647 -3.577
346 HD12 LEU 49 2HD1 LEU 49 -1.986 5.723 -4.844
347 HD13 LEU 49 3HD1 LEU 49 -3.131 4.807 -3.863
348 HD21 LEU 49 1HD2 LEU 49 -4.287 6.962 -3.227
349 HD22 LEU 49 2HD2 LEU 49 -3.139 7.805 -4.271
350 HD23 LEU 49 3HD2 LEU 49 -3.322 8.293 -2.582
351 H TYR 50 H TYR 50 -4.346 6.576 0.764
352 HA TYR 50 HA TYR 50 -3.420 4.623 2.718
353 HB2 TYR 50 2HB TYR 50 -4.436 5.711 4.604
354 HB3 TYR 50 1HB TYR 50 -3.336 6.854 3.852
355 HD1 TYR 50 1HD TYR 50 -6.738 6.182 4.843
356 HD2 TYR 50 2HD TYR 50 -4.297 8.737 2.472
357 HE1 TYR 50 1HE TYR 50 -8.548 7.844 4.780
358 HE2 TYR 50 2HE TYR 50 -6.093 10.407 2.413
359 HH TYR 50 HH TYR 50 -8.526 10.505 2.670
360 H TRP 51 H TRP 51 -5.085 3.248 3.472
361 HA TRP 51 HA TRP 51 -7.215 2.913 1.567
362 HB2 TRP 51 2HB TRP 51 -6.149 0.905 2.347
363 HB3 TRP 51 1HB TRP 51 -6.406 1.356 4.031
364 HD1 TRP 51 1HD TRP 51 -8.596 0.526 5.150
365 HE1 TRP 51 1HE TRP 51 -10.690 -0.737 4.338
366 HE3 TRP 51 3HE TRP 51 -7.711 0.635 0.117
367 HZ2 TRP 51 2HZ TRP 51 -11.806 -1.578 1.899
368 HZ3 TRP 51 3HZ TRP 51 -9.340 -0.429 -1.386
369 HH2 TRP 51 2HH TRP 51 -11.344 -1.513 -0.514
370 H ASP 52 H ASP 52 -9.058 4.003 1.707
371 HA ASP 52 HA ASP 52 -10.126 4.601 4.378
372 HB2 ASP 52 1HB ASP 52 -10.084 6.569 2.988
373 HB3 ASP 52 2HB ASP 52 -10.881 5.716 1.663
374 H GLY 53 H GLY 53 -11.727 3.446 5.165
375 HA2 GLY 53 1HA GLY 53 -12.741 1.224 3.642
376 HA3 GLY 53 2HA GLY 53 -13.112 1.601 5.319
377 H GLU 54 H GLU 54 -13.755 4.441 4.071
378 HA GLU 54 HA GLU 54 -16.574 3.870 3.832
379 HB2 GLU 54 1HB GLU 54 -15.575 5.912 4.972
380 HB3 GLU 54 2HB GLU 54 -15.210 6.519 3.363
381 HG2 GLU 54 1HG GLU 54 -17.243 7.512 4.142
382 HG3 GLU 54 2HG GLU 54 -17.612 6.409 2.815
383 H LYS 55 H LYS 55 -14.092 5.340 1.741
384 HA LYS 55 HA LYS 55 -15.771 5.265 -0.589
385 HB2 LYS 55 1HB LYS 55 -12.775 5.642 -0.416
386 HB3 LYS 55 2HB LYS 55 -13.790 6.014 -1.801
387 HG2 LYS 55 1HG LYS 55 -14.885 7.774 -0.560
388 HG3 LYS 55 2HG LYS 55 -13.963 7.364 0.884
389 HD2 LYS 55 1HD LYS 55 -11.885 7.890 -0.311
390 HD3 LYS 55 2HD LYS 55 -12.826 8.339 -1.734
391 HE2 LYS 55 1HE LYS 55 -12.988 9.660 0.974
392 HE3 LYS 55 2HE LYS 55 -12.123 10.296 -0.425
393 HZ1 LYS 55 1HZ LYS 55 -15.051 9.937 -0.110
394 HZ2 LYS 55 2HZ LYS 55 -14.319 10.247 -1.609
395 HZ3 LYS 55 3HZ LYS 55 -14.196 11.382 -0.358
396 H GLU 56 H GLU 56 -13.771 3.020 0.992
397 HA GLU 56 HA GLU 56 -13.001 0.936 0.544
398 HB2 GLU 56 1HB GLU 56 -15.034 1.102 -1.689
399 HB3 GLU 56 2HB GLU 56 -14.157 -0.359 -1.263
400 HG2 GLU 56 1HG GLU 56 -15.219 -0.507 0.835
401 HG3 GLU 56 2HG GLU 56 -15.874 1.125 0.700
402 H THR 57 H THR 57 -11.407 2.976 -0.316
403 HA THR 57 HA THR 57 -9.989 1.752 -2.496
404 HB THR 57 HB THR 57 -11.739 3.152 -3.644
405 HG1 THR 57 1HG THR 57 -9.661 4.472 -4.625
406 HG21 THR 57 1HG2 THR 57 -11.813 5.015 -2.056
407 HG22 THR 57 2HG2 THR 57 -11.436 5.583 -3.683
408 HG23 THR 57 3HG2 THR 57 -10.155 5.446 -2.479
409 H TYR 58 H TYR 58 -8.025 3.125 -3.072
410 HA TYR 58 HA TYR 58 -6.840 4.117 -0.587
411 HB2 TYR 58 2HB TYR 58 -5.472 3.482 -3.212
412 HB3 TYR 58 1HB TYR 58 -4.693 3.797 -1.666
413 HD1 TYR 58 1HD TYR 58 -6.570 1.333 -3.640
414 HD2 TYR 58 2HD TYR 58 -4.608 2.099 0.060
415 HE1 TYR 58 1HE TYR 58 -6.607 -1.072 -3.130
416 HE2 TYR 58 2HE TYR 58 -4.641 -0.305 0.579
417 HH TYR 58 HH TYR 58 -5.813 -2.306 -0.016
418 H VAL 59 H VAL 59 -6.932 6.204 -0.268
419 HA VAL 59 HA VAL 59 -6.999 8.002 -2.594
420 HB VAL 59 HB VAL 59 -7.943 9.651 -0.819
421 HG11 VAL 59 1HG1 VAL 59 -10.233 8.824 -1.245
422 HG12 VAL 59 2HG1 VAL 59 -9.552 7.315 -1.854
423 HG13 VAL 59 3HG1 VAL 59 -9.236 8.832 -2.700
424 HG21 VAL 59 1HG2 VAL 59 -8.576 7.008 0.497
425 HG22 VAL 59 2HG2 VAL 59 -9.220 8.581 0.969
426 HG23 VAL 59 3HG2 VAL 59 -7.493 8.248 1.132
427 HA PRO 60 HA PRO 60 -3.149 9.845 -1.688
428 HB2 PRO 60 2HB PRO 60 -3.813 12.543 -1.802
429 HB3 PRO 60 1HB PRO 60 -3.407 11.524 -3.187
430 HG2 PRO 60 2HG PRO 60 -6.086 12.331 -2.146
431 HG3 PRO 60 1HG PRO 60 -5.541 12.147 -3.823
432 HD2 PRO 60 2HD PRO 60 -7.069 10.296 -2.641
433 HD3 PRO 60 1HD PRO 60 -5.780 9.841 -3.777
434 H ALA 61 H ALA 61 -2.097 10.086 0.146
435 HA ALA 61 HA ALA 61 -3.572 10.986 2.514
436 HB1 ALA 61 1HB ALA 61 -2.511 8.780 2.598
437 HB2 ALA 61 2HB ALA 61 -1.836 9.879 3.800
438 HB3 ALA 61 3HB ALA 61 -0.938 9.533 2.321
439 H ALA 62 H ALA 62 -1.686 12.372 0.267
440 HA ALA 62 HA ALA 62 -0.754 14.415 2.131
441 HB1 ALA 62 1HB ALA 62 1.153 12.921 1.804
442 HB2 ALA 62 2HB ALA 62 1.451 14.509 1.100
443 HB3 ALA 62 3HB ALA 62 1.034 13.147 0.059
444 H GLU 63 H GLU 63 -2.588 15.529 1.203
445 HA GLU 63 HA GLU 63 -2.180 16.453 -1.553
446 HB2 GLU 63 1HB GLU 63 -4.435 15.620 -0.945
447 HB3 GLU 63 2HB GLU 63 -4.549 16.867 0.290
448 HG2 GLU 63 1HG GLU 63 -4.490 18.592 -1.393
449 HG3 GLU 63 2HG GLU 63 -4.245 17.388 -2.657
450 H SER 64 H SER 64 -2.434 17.537 1.774
451 HA SER 64 HA SER 64 -1.745 20.265 1.039
452 HB2 SER 64 1HB SER 64 -2.216 18.997 3.752
453 HB3 SER 64 2HB SER 64 -1.967 20.719 3.457
454 HG SER 64 HG SER 64 -3.912 20.872 2.521
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -27.902 -11.636 2.369
2 H2 GLY 1 2H GLY 1 -27.109 -13.113 2.637
3 H3 GLY 1 3H GLY 1 -27.008 -12.356 1.124
4 HA2 GLY 1 1HA GLY 1 -25.948 -11.187 3.631
5 HA3 GLY 1 2HA GLY 1 -24.977 -12.104 2.486
6 H ALA 2 H ALA 2 -23.930 -9.802 2.774
7 HA ALA 2 HA ALA 2 -25.090 -7.805 1.034
8 HB1 ALA 2 1HB ALA 2 -22.402 -7.918 2.397
9 HB2 ALA 2 2HB ALA 2 -23.839 -7.079 2.983
10 HB3 ALA 2 3HB ALA 2 -23.037 -6.534 1.508
11 H MET 3 H MET 3 -21.975 -9.535 1.043
12 HA MET 3 HA MET 3 -20.649 -10.336 -0.613
13 HB2 MET 3 1HB MET 3 -22.668 -11.826 -0.765
14 HB3 MET 3 2HB MET 3 -23.250 -10.812 -2.075
15 HG2 MET 3 1HG MET 3 -21.330 -11.385 -3.426
16 HG3 MET 3 2HG MET 3 -20.640 -12.315 -2.097
17 HE1 MET 3 1HE MET 3 -24.508 -13.497 -4.324
18 HE2 MET 3 2HE MET 3 -23.557 -12.061 -4.701
19 HE3 MET 3 3HE MET 3 -24.433 -12.162 -3.172
20 H GLY 4 H GLY 4 -20.507 -7.725 -0.691
21 HA2 GLY 4 1HA GLY 4 -20.450 -7.145 -3.578
22 HA3 GLY 4 2HA GLY 4 -21.135 -5.969 -2.465
23 H THR 5 H THR 5 -18.392 -7.956 -1.644
24 HA THR 5 HA THR 5 -16.825 -5.543 -1.272
25 HB THR 5 HB THR 5 -15.154 -7.238 -0.287
26 HG1 THR 5 1HG THR 5 -15.784 -9.267 -0.136
27 HG21 THR 5 1HG2 THR 5 -16.383 -7.303 1.843
28 HG22 THR 5 2HG2 THR 5 -17.851 -6.811 0.998
29 HG23 THR 5 3HG2 THR 5 -16.471 -5.714 1.079
30 H LYS 6 H LYS 6 -16.371 -4.995 -3.414
31 HA LYS 6 HA LYS 6 -14.833 -6.812 -5.066
32 HB2 LYS 6 1HB LYS 6 -15.377 -3.859 -5.465
33 HB3 LYS 6 2HB LYS 6 -14.799 -4.997 -6.677
34 HG2 LYS 6 1HG LYS 6 -16.918 -6.213 -6.545
35 HG3 LYS 6 2HG LYS 6 -17.498 -5.065 -5.338
36 HD2 LYS 6 1HD LYS 6 -18.409 -4.429 -7.452
37 HD3 LYS 6 2HD LYS 6 -17.167 -3.251 -7.028
38 HE2 LYS 6 1HE LYS 6 -15.584 -4.355 -8.501
39 HE3 LYS 6 2HE LYS 6 -16.776 -5.600 -8.879
40 HZ1 LYS 6 1HZ LYS 6 -18.201 -3.854 -9.818
41 HZ2 LYS 6 2HZ LYS 6 -16.716 -3.970 -10.625
42 HZ3 LYS 6 3HZ LYS 6 -16.982 -2.707 -9.529
43 H TYR 7 H TYR 7 -14.392 -3.979 -3.074
44 HA TYR 7 HA TYR 7 -11.543 -4.635 -2.844
45 HB2 TYR 7 2HB TYR 7 -12.720 -1.881 -3.293
46 HB3 TYR 7 1HB TYR 7 -11.088 -2.147 -2.690
47 HD1 TYR 7 1HD TYR 7 -9.359 -3.078 -4.146
48 HD2 TYR 7 2HD TYR 7 -13.274 -2.288 -5.611
49 HE1 TYR 7 1HE TYR 7 -8.525 -3.258 -6.451
50 HE2 TYR 7 2HE TYR 7 -12.451 -2.468 -7.921
51 HH TYR 7 HH TYR 7 -10.356 -2.258 -9.153
52 H ALA 8 H ALA 8 -11.605 -5.457 -0.839
53 HA ALA 8 HA ALA 8 -13.005 -3.934 1.254
54 HB1 ALA 8 1HB ALA 8 -12.967 -5.970 2.581
55 HB2 ALA 8 2HB ALA 8 -12.041 -6.794 1.325
56 HB3 ALA 8 3HB ALA 8 -13.697 -6.280 1.005
57 H VAL 9 H VAL 9 -11.732 -4.662 3.507
58 HA VAL 9 HA VAL 9 -9.462 -3.012 3.494
59 HB VAL 9 HB VAL 9 -9.035 -3.811 5.791
60 HG11 VAL 9 1HG1 VAL 9 -11.927 -3.214 5.183
61 HG12 VAL 9 2HG1 VAL 9 -10.644 -2.031 5.438
62 HG13 VAL 9 3HG1 VAL 9 -11.167 -3.068 6.768
63 HG21 VAL 9 1HG2 VAL 9 -10.553 -5.421 6.829
64 HG22 VAL 9 2HG2 VAL 9 -9.632 -6.155 5.517
65 HG23 VAL 9 3HG2 VAL 9 -11.317 -5.707 5.267
66 HA PRO 10 HA PRO 10 -6.460 -5.968 2.142
67 HB2 PRO 10 2HB PRO 10 -4.407 -4.257 1.923
68 HB3 PRO 10 1HB PRO 10 -5.783 -4.218 0.816
69 HG2 PRO 10 2HG PRO 10 -5.083 -2.381 3.024
70 HG3 PRO 10 1HG PRO 10 -5.996 -2.062 1.543
71 HD2 PRO 10 2HD PRO 10 -7.031 -2.552 4.143
72 HD3 PRO 10 1HD PRO 10 -7.946 -2.375 2.634
73 H ASP 11 H ASP 11 -5.281 -7.380 3.211
74 HA ASP 11 HA ASP 11 -4.174 -6.710 5.823
75 HB2 ASP 11 1HB ASP 11 -4.395 -9.329 4.325
76 HB3 ASP 11 2HB ASP 11 -3.584 -9.164 5.878
77 H THR 12 H THR 12 -2.084 -6.278 6.135
78 HA THR 12 HA THR 12 -0.375 -6.177 3.814
79 HB THR 12 HB THR 12 1.238 -5.077 5.371
80 HG1 THR 12 1HG THR 12 0.875 -5.522 7.417
81 HG21 THR 12 1HG2 THR 12 -0.161 -3.048 5.698
82 HG22 THR 12 2HG2 THR 12 -1.581 -4.000 5.258
83 HG23 THR 12 3HG2 THR 12 -0.295 -3.733 4.079
84 H SER 13 H SER 13 -1.011 -8.406 6.240
85 HA SER 13 HA SER 13 1.584 -9.536 6.532
86 HB2 SER 13 1HB SER 13 -1.093 -10.850 7.032
87 HB3 SER 13 2HB SER 13 0.464 -11.321 7.714
88 HG SER 13 HG SER 13 -0.771 -10.064 9.191
89 H THR 14 H THR 14 -0.710 -9.619 4.036
90 HA THR 14 HA THR 14 0.339 -12.145 2.976
91 HB THR 14 HB THR 14 -1.549 -11.829 1.273
92 HG1 THR 14 1HG THR 14 -2.432 -9.900 1.461
93 HG21 THR 14 1HG2 THR 14 -2.265 -12.192 4.185
94 HG22 THR 14 2HG2 THR 14 -1.658 -13.449 3.108
95 HG23 THR 14 3HG2 THR 14 -3.236 -12.719 2.810
96 H TYR 15 H TYR 15 1.549 -9.319 2.970
97 HA TYR 15 HA TYR 15 1.872 -8.970 0.079
98 HB2 TYR 15 2HB TYR 15 2.655 -7.212 2.410
99 HB3 TYR 15 1HB TYR 15 3.111 -6.876 0.742
100 HD1 TYR 15 1HD TYR 15 0.339 -7.997 -0.307
101 HD2 TYR 15 2HD TYR 15 1.479 -5.089 2.578
102 HE1 TYR 15 1HE TYR 15 -1.789 -6.823 -0.663
103 HE2 TYR 15 2HE TYR 15 -0.651 -3.913 2.238
104 HH TYR 15 HH TYR 15 -2.344 -3.785 0.145
105 H GLN 16 H GLN 16 4.191 -8.278 -0.542
106 HA GLN 16 HA GLN 16 6.010 -10.306 0.587
107 HB2 GLN 16 1HB GLN 16 6.178 -8.999 -2.136
108 HB3 GLN 16 2HB GLN 16 7.122 -10.363 -1.557
109 HG2 GLN 16 1HG GLN 16 5.076 -11.712 -1.449
110 HG3 GLN 16 2HG GLN 16 4.163 -10.348 -2.094
111 HE21 GLN 16 1HE2 GLN 16 5.231 -10.772 -5.401
112 HE22 GLN 16 2HE2 GLN 16 4.497 -9.718 -4.243
113 H TYR 17 H TYR 17 7.216 -9.248 2.104
114 HA TYR 17 HA TYR 17 7.936 -6.545 1.983
115 HB2 TYR 17 2HB TYR 17 8.053 -7.853 4.064
116 HB3 TYR 17 1HB TYR 17 9.398 -8.783 3.407
117 HD1 TYR 17 1HD TYR 17 11.572 -8.089 3.880
118 HD2 TYR 17 2HD TYR 17 8.412 -5.254 4.118
119 HE1 TYR 17 1HE TYR 17 13.152 -6.408 4.737
120 HE2 TYR 17 2HE TYR 17 9.981 -3.565 4.976
121 HH TYR 17 HH TYR 17 13.399 -4.035 4.942
122 H ASP 18 H ASP 18 9.194 -5.536 0.640
123 HA ASP 18 HA ASP 18 11.244 -6.979 -0.857
124 HB2 ASP 18 1HB ASP 18 9.569 -5.431 -1.984
125 HB3 ASP 18 2HB ASP 18 10.382 -4.098 -1.181
126 H GLU 19 H GLU 19 13.175 -7.059 0.079
127 HA GLU 19 HA GLU 19 13.833 -5.376 2.285
128 HB2 GLU 19 1HB GLU 19 15.896 -6.657 2.375
129 HB3 GLU 19 2HB GLU 19 14.504 -7.701 2.158
130 HG2 GLU 19 1HG GLU 19 14.998 -7.899 -0.216
131 HG3 GLU 19 2HG GLU 19 16.401 -6.854 -0.002
132 H SER 20 H SER 20 14.430 -5.300 -1.087
133 HA SER 20 HA SER 20 16.739 -3.611 -0.971
134 HB2 SER 20 1HB SER 20 16.350 -5.133 -2.844
135 HB3 SER 20 2HB SER 20 14.853 -4.291 -3.236
136 HG SER 20 HG SER 20 15.991 -2.949 -4.353
137 H SER 21 H SER 21 13.295 -3.190 -1.037
138 HA SER 21 HA SER 21 13.584 -0.318 -1.539
139 HB2 SER 21 1HB SER 21 11.035 -1.928 -1.376
140 HB3 SER 21 2HB SER 21 11.253 -0.324 -2.060
141 HG SER 21 HG SER 21 12.341 -2.759 -3.051
142 H GLY 22 H GLY 22 12.598 -2.649 0.883
143 HA2 GLY 22 1HA GLY 22 12.538 -2.266 3.202
144 HA3 GLY 22 2HA GLY 22 12.584 -0.533 2.898
145 H TYR 23 H TYR 23 10.381 -1.985 0.895
146 HA TYR 23 HA TYR 23 8.136 -1.187 2.628
147 HB2 TYR 23 2HB TYR 23 8.566 -0.952 -0.342
148 HB3 TYR 23 1HB TYR 23 6.947 -0.927 0.344
149 HD1 TYR 23 1HD TYR 23 10.240 0.711 1.066
150 HD2 TYR 23 2HD TYR 23 6.040 1.151 0.583
151 HE1 TYR 23 1HE TYR 23 10.453 3.123 1.463
152 HE2 TYR 23 2HE TYR 23 6.240 3.564 0.983
153 HH TYR 23 HH TYR 23 7.615 5.230 1.652
154 H TYR 24 H TYR 24 6.137 -2.389 2.300
155 HA TYR 24 HA TYR 24 6.573 -5.182 1.575
156 HB2 TYR 24 2HB TYR 24 4.265 -3.688 2.822
157 HB3 TYR 24 1HB TYR 24 4.102 -5.348 2.260
158 HD1 TYR 24 1HD TYR 24 5.854 -3.166 4.678
159 HD2 TYR 24 2HD TYR 24 4.954 -7.155 3.509
160 HE1 TYR 24 1HE TYR 24 6.736 -3.986 6.820
161 HE2 TYR 24 2HE TYR 24 5.832 -7.990 5.642
162 HH TYR 24 HH TYR 24 7.278 -7.353 7.423
163 H TYR 25 H TYR 25 6.308 -5.778 -0.500
164 HA TYR 25 HA TYR 25 5.085 -3.972 -2.352
165 HB2 TYR 25 2HB TYR 25 6.978 -5.270 -3.108
166 HB3 TYR 25 1HB TYR 25 6.152 -6.778 -2.721
167 HD1 TYR 25 1HD TYR 25 5.838 -3.751 -4.878
168 HD2 TYR 25 2HD TYR 25 4.903 -7.870 -4.363
169 HE1 TYR 25 1HE TYR 25 4.863 -3.807 -7.135
170 HE2 TYR 25 2HE TYR 25 3.928 -7.940 -6.621
171 HH TYR 25 HH TYR 25 4.370 -5.429 -8.882
172 H ASP 26 H ASP 26 3.048 -3.800 -2.752
173 HA ASP 26 HA ASP 26 1.080 -5.779 -2.024
174 HB2 ASP 26 1HB ASP 26 0.989 -3.119 -3.438
175 HB3 ASP 26 2HB ASP 26 -0.416 -4.164 -3.388
176 HA PRO 27 HA PRO 27 1.646 -7.560 -6.175
177 HB2 PRO 27 2HB PRO 27 0.581 -10.027 -5.192
178 HB3 PRO 27 1HB PRO 27 2.255 -9.660 -5.591
179 HG2 PRO 27 2HG PRO 27 1.308 -10.172 -3.041
180 HG3 PRO 27 1HG PRO 27 2.817 -9.320 -3.415
181 HD2 PRO 27 2HD PRO 27 0.154 -8.211 -2.635
182 HD3 PRO 27 1HD PRO 27 1.782 -7.644 -2.206
183 H THR 28 H THR 28 -1.021 -7.392 -4.014
184 HA THR 28 HA THR 28 -3.016 -8.224 -5.922
185 HB THR 28 HB THR 28 -3.551 -6.811 -3.315
186 HG1 THR 28 1HG THR 28 -3.201 -8.714 -2.230
187 HG21 THR 28 1HG2 THR 28 -5.460 -7.314 -4.766
188 HG22 THR 28 2HG2 THR 28 -5.515 -8.284 -3.293
189 HG23 THR 28 3HG2 THR 28 -4.984 -9.011 -4.809
190 H THR 29 H THR 29 -1.589 -5.266 -4.720
191 HA THR 29 HA THR 29 -3.652 -3.686 -6.087
192 HB THR 29 HB THR 29 -1.784 -2.345 -4.216
193 HG1 THR 29 1HG THR 29 -2.414 -3.427 -2.479
194 HG21 THR 29 1HG2 THR 29 -4.787 -2.283 -4.582
195 HG22 THR 29 2HG2 THR 29 -3.637 -1.153 -5.303
196 HG23 THR 29 3HG2 THR 29 -3.847 -1.198 -3.553
197 H GLY 30 H GLY 30 -0.335 -4.524 -6.199
198 HA2 GLY 30 1HA GLY 30 1.314 -3.929 -7.703
199 HA3 GLY 30 2HA GLY 30 0.146 -2.880 -8.500
200 H LEU 31 H LEU 31 0.972 -2.758 -5.105
201 HA LEU 31 HA LEU 31 2.094 -0.057 -5.516
202 HB2 LEU 31 1HB LEU 31 0.149 -0.928 -3.371
203 HB3 LEU 31 2HB LEU 31 0.922 0.642 -3.443
204 HG LEU 31 HG LEU 31 -1.114 -0.472 -5.381
205 HD11 LEU 31 1HD1 LEU 31 -2.014 0.311 -3.249
206 HD12 LEU 31 2HD1 LEU 31 -2.498 1.360 -4.580
207 HD13 LEU 31 3HD1 LEU 31 -1.214 1.866 -3.480
208 HD21 LEU 31 1HD2 LEU 31 0.523 0.833 -6.613
209 HD22 LEU 31 2HD2 LEU 31 0.367 2.156 -5.458
210 HD23 LEU 31 3HD2 LEU 31 -0.996 1.721 -6.491
211 H TYR 32 H TYR 32 2.959 0.676 -3.190
212 HA TYR 32 HA TYR 32 4.290 -1.603 -1.890
213 HB2 TYR 32 2HB TYR 32 5.377 1.134 -2.543
214 HB3 TYR 32 1HB TYR 32 6.069 0.162 -1.257
215 HD1 TYR 32 1HD TYR 32 5.946 0.766 -4.793
216 HD2 TYR 32 2HD TYR 32 7.088 -2.067 -1.836
217 HE1 TYR 32 1HE TYR 32 7.419 -0.332 -6.425
218 HE2 TYR 32 2HE TYR 32 8.561 -3.179 -3.458
219 HH TYR 32 HH TYR 32 9.334 -1.753 -6.502
220 H TYR 33 H TYR 33 3.683 -1.816 0.169
221 HA TYR 33 HA TYR 33 2.369 0.387 1.538
222 HB2 TYR 33 2HB TYR 33 1.285 -1.745 1.740
223 HB3 TYR 33 1HB TYR 33 2.780 -2.529 2.235
224 HD1 TYR 33 1HD TYR 33 3.485 -2.513 4.510
225 HD2 TYR 33 2HD TYR 33 0.116 -0.209 3.304
226 HE1 TYR 33 1HE TYR 33 2.894 -2.159 6.868
227 HE2 TYR 33 2HE TYR 33 -0.486 0.151 5.662
228 HH TYR 33 HH TYR 33 -0.124 -0.997 7.837
229 H ASP 34 H ASP 34 3.494 1.756 2.768
230 HA ASP 34 HA ASP 34 6.176 1.089 3.648
231 HB2 ASP 34 1HB ASP 34 5.606 3.416 2.925
232 HB3 ASP 34 2HB ASP 34 4.521 3.541 4.302
233 HA PRO 35 HA PRO 35 4.527 -0.641 7.432
234 HB2 PRO 35 2HB PRO 35 6.987 -1.163 8.537
235 HB3 PRO 35 1HB PRO 35 6.154 -2.245 7.413
236 HG2 PRO 35 2HG PRO 35 8.382 -0.329 6.915
237 HG3 PRO 35 1HG PRO 35 8.078 -1.914 6.188
238 HD2 PRO 35 2HD PRO 35 7.560 0.444 4.926
239 HD3 PRO 35 1HD PRO 35 6.667 -1.053 4.602
240 H ASN 36 H ASN 36 6.629 2.062 7.018
241 HA ASN 36 HA ASN 36 6.737 2.663 9.857
242 HB2 ASN 36 1HB ASN 36 8.629 3.075 8.160
243 HB3 ASN 36 2HB ASN 36 7.693 4.475 7.646
244 HD21 ASN 36 1HD2 ASN 36 8.769 4.588 11.569
245 HD22 ASN 36 2HD2 ASN 36 7.941 3.220 10.909
246 H SER 37 H SER 37 5.491 4.297 6.927
247 HA SER 37 HA SER 37 3.965 6.118 8.598
248 HB2 SER 37 1HB SER 37 3.329 7.163 6.429
249 HB3 SER 37 2HB SER 37 5.071 7.049 6.647
250 HG SER 37 HG SER 37 5.180 5.474 5.161
251 H GLN 38 H GLN 38 3.490 3.194 6.907
252 HA GLN 38 HA GLN 38 1.754 1.807 6.605
253 HB2 GLN 38 1HB GLN 38 0.322 3.659 8.506
254 HB3 GLN 38 2HB GLN 38 -0.331 2.130 7.927
255 HG2 GLN 38 1HG GLN 38 1.700 1.012 8.873
256 HG3 GLN 38 2HG GLN 38 2.115 2.553 9.619
257 HE21 GLN 38 1HE2 GLN 38 -1.471 1.155 10.936
258 HE22 GLN 38 2HE2 GLN 38 -1.175 1.441 9.250
259 H TYR 39 H TYR 39 2.195 4.265 4.980
260 HA TYR 39 HA TYR 39 -0.463 4.510 3.757
261 HB2 TYR 39 2HB TYR 39 2.062 6.130 3.389
262 HB3 TYR 39 1HB TYR 39 0.638 6.323 2.381
263 HD1 TYR 39 1HD TYR 39 2.244 7.334 5.383
264 HD2 TYR 39 2HD TYR 39 -1.575 6.860 3.583
265 HE1 TYR 39 1HE TYR 39 1.280 8.874 7.034
266 HE2 TYR 39 2HE TYR 39 -2.552 8.396 5.226
267 HH TYR 39 HH TYR 39 -2.160 9.370 7.318
268 H TYR 40 H TYR 40 -0.569 4.351 1.403
269 HA TYR 40 HA TYR 40 1.157 2.186 0.454
270 HB2 TYR 40 2HB TYR 40 -1.556 3.167 -0.408
271 HB3 TYR 40 1HB TYR 40 -0.609 2.065 -1.403
272 HD1 TYR 40 1HD TYR 40 -0.086 -0.196 -0.593
273 HD2 TYR 40 2HD TYR 40 -2.661 2.400 1.581
274 HE1 TYR 40 1HE TYR 40 -0.906 -2.110 0.705
275 HE2 TYR 40 2HE TYR 40 -3.492 0.487 2.891
276 HH TYR 40 HH TYR 40 -2.011 -2.677 2.638
277 H TYR 41 H TYR 41 2.351 2.321 -1.357
278 HA TYR 41 HA TYR 41 2.731 5.025 -2.422
279 HB2 TYR 41 2HB TYR 41 4.650 4.188 -1.181
280 HB3 TYR 41 1HB TYR 41 4.657 2.710 -2.132
281 HD1 TYR 41 1HD TYR 41 6.198 2.551 -3.825
282 HD2 TYR 41 2HD TYR 41 4.825 6.404 -2.661
283 HE1 TYR 41 1HE TYR 41 7.783 3.579 -5.394
284 HE2 TYR 41 2HE TYR 41 6.397 7.449 -4.233
285 HH TYR 41 HH TYR 41 8.154 5.606 -6.575
286 H ASN 42 H ASN 42 1.964 5.276 -4.370
287 HA ASN 42 HA ASN 42 1.370 3.077 -6.114
288 HB2 ASN 42 1HB ASN 42 0.063 5.236 -6.010
289 HB3 ASN 42 2HB ASN 42 1.428 6.031 -6.782
290 HD21 ASN 42 1HD2 ASN 42 -1.250 4.846 -9.198
291 HD22 ASN 42 2HD2 ASN 42 -1.355 5.624 -7.653
292 H SER 43 H SER 43 2.981 2.017 -7.085
293 HA SER 43 HA SER 43 5.613 2.981 -7.248
294 HB2 SER 43 1HB SER 43 4.587 0.747 -8.972
295 HB3 SER 43 2HB SER 43 6.134 0.889 -8.127
296 HG SER 43 HG SER 43 4.149 -0.453 -7.275
297 H LEU 44 H LEU 44 2.934 3.174 -9.440
298 HA LEU 44 HA LEU 44 4.498 3.703 -11.790
299 HB2 LEU 44 1HB LEU 44 2.288 2.663 -11.909
300 HB3 LEU 44 2HB LEU 44 1.561 4.099 -11.216
301 HG LEU 44 HG LEU 44 2.325 5.380 -13.226
302 HD11 LEU 44 1HD1 LEU 44 3.005 2.632 -14.256
303 HD12 LEU 44 2HD1 LEU 44 4.138 3.949 -13.945
304 HD13 LEU 44 3HD1 LEU 44 2.939 4.102 -15.228
305 HD21 LEU 44 1HD2 LEU 44 0.035 4.559 -13.018
306 HD22 LEU 44 2HD2 LEU 44 0.513 3.028 -13.753
307 HD23 LEU 44 3HD2 LEU 44 0.579 4.518 -14.695
308 H THR 45 H THR 45 2.493 5.687 -9.617
309 HA THR 45 HA THR 45 3.249 8.075 -11.119
310 HB THR 45 HB THR 45 1.255 7.944 -8.849
311 HG1 THR 45 1HG THR 45 0.913 7.381 -11.633
312 HG21 THR 45 1HG2 THR 45 0.258 9.864 -10.031
313 HG22 THR 45 2HG2 THR 45 1.561 9.798 -11.220
314 HG23 THR 45 3HG2 THR 45 1.919 10.187 -9.536
315 H GLN 46 H GLN 46 4.251 6.381 -8.443
316 HA GLN 46 HA GLN 46 5.631 6.780 -6.697
317 HB2 GLN 46 1HB GLN 46 6.265 9.366 -8.145
318 HB3 GLN 46 2HB GLN 46 7.250 8.596 -6.903
319 HG2 GLN 46 1HG GLN 46 7.716 6.735 -8.321
320 HG3 GLN 46 2HG GLN 46 6.556 7.295 -9.524
321 HE21 GLN 46 1HE2 GLN 46 9.771 9.774 -9.196
322 HE22 GLN 46 2HE2 GLN 46 8.803 9.382 -7.817
323 H GLN 47 H GLN 47 3.026 7.284 -6.352
324 HA GLN 47 HA GLN 47 2.747 9.831 -4.942
325 HB2 GLN 47 1HB GLN 47 1.304 9.697 -6.829
326 HB3 GLN 47 2HB GLN 47 0.868 8.040 -6.463
327 HG2 GLN 47 1HG GLN 47 -0.300 8.824 -4.471
328 HG3 GLN 47 2HG GLN 47 0.047 10.481 -4.952
329 HE21 GLN 47 1HE2 GLN 47 -2.379 10.619 -7.461
330 HE22 GLN 47 2HE2 GLN 47 -0.941 11.328 -6.796
331 H TYR 48 H TYR 48 1.132 9.689 -3.081
332 HA TYR 48 HA TYR 48 1.404 7.110 -1.702
333 HB2 TYR 48 2HB TYR 48 1.778 9.883 -0.646
334 HB3 TYR 48 1HB TYR 48 1.226 8.604 0.432
335 HD1 TYR 48 1HD TYR 48 3.984 9.519 -1.901
336 HD2 TYR 48 2HD TYR 48 2.716 7.088 1.351
337 HE1 TYR 48 1HE TYR 48 6.299 8.735 -1.584
338 HE2 TYR 48 2HE TYR 48 5.013 6.299 1.674
339 HH TYR 48 HH TYR 48 7.709 7.706 -0.057
340 H LEU 49 H LEU 49 -0.287 6.300 -0.641
341 HA LEU 49 HA LEU 49 -2.846 7.740 -0.754
342 HB2 LEU 49 1HB LEU 49 -2.401 4.893 -1.675
343 HB3 LEU 49 2HB LEU 49 -3.950 5.704 -1.577
344 HG LEU 49 HG LEU 49 -1.772 6.786 -3.333
345 HD11 LEU 49 1HD1 LEU 49 -3.802 4.690 -4.068
346 HD12 LEU 49 2HD1 LEU 49 -2.054 4.457 -3.965
347 HD13 LEU 49 3HD1 LEU 49 -2.733 5.533 -5.187
348 HD21 LEU 49 1HD2 LEU 49 -4.781 6.940 -3.388
349 HD22 LEU 49 2HD2 LEU 49 -3.692 7.695 -4.553
350 HD23 LEU 49 3HD2 LEU 49 -3.681 8.222 -2.869
351 H TYR 50 H TYR 50 -4.537 6.398 0.482
352 HA TYR 50 HA TYR 50 -3.421 4.538 2.403
353 HB2 TYR 50 2HB TYR 50 -4.327 5.658 4.365
354 HB3 TYR 50 1HB TYR 50 -3.179 6.711 3.555
355 HD1 TYR 50 1HD TYR 50 -6.611 6.274 4.628
356 HD2 TYR 50 2HD TYR 50 -4.012 8.685 2.281
357 HE1 TYR 50 1HE TYR 50 -8.285 8.072 4.634
358 HE2 TYR 50 2HE TYR 50 -5.676 10.493 2.282
359 HH TYR 50 HH TYR 50 -8.489 10.390 4.325
360 H TRP 51 H TRP 51 -4.959 3.121 3.242
361 HA TRP 51 HA TRP 51 -7.340 2.927 1.633
362 HB2 TRP 51 2HB TRP 51 -6.208 0.862 2.162
363 HB3 TRP 51 1HB TRP 51 -6.299 1.201 3.890
364 HD1 TRP 51 1HD TRP 51 -8.455 0.461 5.143
365 HE1 TRP 51 1HE TRP 51 -10.643 -0.683 4.450
366 HE3 TRP 51 3HE TRP 51 -7.897 0.660 0.068
367 HZ2 TRP 51 2HZ TRP 51 -11.958 -1.427 2.066
368 HZ3 TRP 51 3HZ TRP 51 -9.663 -0.301 -1.347
369 HH2 TRP 51 2HH TRP 51 -11.650 -1.320 -0.367
370 H ASP 52 H ASP 52 -9.024 4.141 2.075
371 HA ASP 52 HA ASP 52 -9.670 4.794 4.838
372 HB2 ASP 52 1HB ASP 52 -9.832 6.580 3.131
373 HB3 ASP 52 2HB ASP 52 -11.047 5.646 2.265
374 H GLY 53 H GLY 53 -10.885 3.453 5.983
375 HA2 GLY 53 1HA GLY 53 -12.111 1.185 4.703
376 HA3 GLY 53 2HA GLY 53 -12.074 1.519 6.428
377 H GLU 54 H GLU 54 -13.197 4.281 5.516
378 HA GLU 54 HA GLU 54 -15.960 3.592 5.962
379 HB2 GLU 54 1HB GLU 54 -15.139 5.580 7.017
380 HB3 GLU 54 2HB GLU 54 -14.490 6.194 5.503
381 HG2 GLU 54 1HG GLU 54 -16.869 6.311 4.677
382 HG3 GLU 54 2HG GLU 54 -17.364 5.989 6.341
383 H LYS 55 H LYS 55 -14.031 5.051 3.382
384 HA LYS 55 HA LYS 55 -16.287 5.065 1.546
385 HB2 LYS 55 1HB LYS 55 -13.403 5.789 1.013
386 HB3 LYS 55 2HB LYS 55 -14.809 6.251 0.061
387 HG2 LYS 55 1HG LYS 55 -15.553 7.757 1.686
388 HG3 LYS 55 2HG LYS 55 -14.508 7.076 2.927
389 HD2 LYS 55 1HD LYS 55 -12.547 7.857 1.636
390 HD3 LYS 55 2HD LYS 55 -13.652 8.636 0.500
391 HE2 LYS 55 1HE LYS 55 -12.740 10.186 2.195
392 HE3 LYS 55 2HE LYS 55 -14.499 10.070 2.233
393 HZ1 LYS 55 1HZ LYS 55 -12.696 8.552 4.052
394 HZ2 LYS 55 2HZ LYS 55 -14.389 8.683 4.154
395 HZ3 LYS 55 3HZ LYS 55 -13.416 10.034 4.451
396 H GLU 56 H GLU 56 -13.681 3.056 2.394
397 HA GLU 56 HA GLU 56 -12.800 1.139 1.610
398 HB2 GLU 56 1HB GLU 56 -15.437 0.994 0.135
399 HB3 GLU 56 2HB GLU 56 -14.289 -0.334 0.247
400 HG2 GLU 56 1HG GLU 56 -14.554 -0.443 2.628
401 HG3 GLU 56 2HG GLU 56 -15.556 1.005 2.627
402 H THR 57 H THR 57 -11.432 2.924 0.571
403 HA THR 57 HA THR 57 -10.785 2.110 -2.091
404 HB THR 57 HB THR 57 -12.664 3.659 -2.567
405 HG1 THR 57 1HG THR 57 -11.572 4.234 -4.287
406 HG21 THR 57 1HG2 THR 57 -12.428 5.142 -0.630
407 HG22 THR 57 2HG2 THR 57 -12.418 6.057 -2.139
408 HG23 THR 57 3HG2 THR 57 -10.907 5.754 -1.283
409 H TYR 58 H TYR 58 -8.846 3.331 -2.902
410 HA TYR 58 HA TYR 58 -7.165 4.161 -0.652
411 HB2 TYR 58 2HB TYR 58 -6.327 3.593 -3.504
412 HB3 TYR 58 1HB TYR 58 -5.263 3.894 -2.146
413 HD1 TYR 58 1HD TYR 58 -7.504 1.437 -3.704
414 HD2 TYR 58 2HD TYR 58 -4.805 2.193 -0.505
415 HE1 TYR 58 1HE TYR 58 -7.413 -0.972 -3.217
416 HE2 TYR 58 2HE TYR 58 -4.706 -0.213 -0.010
417 HH TYR 58 HH TYR 58 -5.960 -2.218 -0.358
418 H VAL 59 H VAL 59 -7.249 6.217 -0.234
419 HA VAL 59 HA VAL 59 -7.645 8.125 -2.432
420 HB VAL 59 HB VAL 59 -8.216 9.671 -0.370
421 HG11 VAL 59 1HG1 VAL 59 -10.073 7.530 -1.407
422 HG12 VAL 59 2HG1 VAL 59 -9.777 9.100 -2.153
423 HG13 VAL 59 3HG1 VAL 59 -10.580 9.005 -0.586
424 HG21 VAL 59 1HG2 VAL 59 -8.843 6.928 0.707
425 HG22 VAL 59 2HG2 VAL 59 -9.291 8.464 1.448
426 HG23 VAL 59 3HG2 VAL 59 -7.592 8.007 1.321
427 HA PRO 60 HA PRO 60 -3.565 9.620 -1.967
428 HB2 PRO 60 2HB PRO 60 -3.885 12.243 -2.632
429 HB3 PRO 60 1HB PRO 60 -3.928 10.930 -3.816
430 HG2 PRO 60 2HG PRO 60 -6.203 12.359 -2.485
431 HG3 PRO 60 1HG PRO 60 -6.010 11.913 -4.192
432 HD2 PRO 60 2HD PRO 60 -7.534 10.462 -2.523
433 HD3 PRO 60 1HD PRO 60 -6.578 9.695 -3.809
434 H ALA 61 H ALA 61 -2.419 10.080 -0.225
435 HA ALA 61 HA ALA 61 -3.676 11.503 1.987
436 HB1 ALA 61 1HB ALA 61 -1.047 10.027 1.855
437 HB2 ALA 61 2HB ALA 61 -2.577 9.368 2.434
438 HB3 ALA 61 3HB ALA 61 -1.798 10.683 3.311
439 H ALA 62 H ALA 62 -3.035 13.097 -0.228
440 HA ALA 62 HA ALA 62 -2.064 15.050 -0.830
441 HB1 ALA 62 1HB ALA 62 -0.993 16.453 0.833
442 HB2 ALA 62 2HB ALA 62 -0.893 15.093 1.951
443 HB3 ALA 62 3HB ALA 62 -2.467 15.744 1.495
444 H GLU 63 H GLU 63 -0.609 14.880 -2.347
445 HA GLU 63 HA GLU 63 1.547 13.010 -2.161
446 HB2 GLU 63 1HB GLU 63 0.942 15.046 -4.311
447 HB3 GLU 63 2HB GLU 63 2.020 13.663 -4.462
448 HG2 GLU 63 1HG GLU 63 0.192 12.134 -4.231
449 HG3 GLU 63 2HG GLU 63 -0.924 13.455 -3.888
450 H SER 64 H SER 64 1.216 16.480 -1.965
451 HA SER 64 HA SER 64 4.090 16.664 -1.349
452 HB2 SER 64 1HB SER 64 2.208 18.860 -2.257
453 HB3 SER 64 2HB SER 64 3.925 19.057 -1.905
454 HG SER 64 HG SER 64 4.226 17.368 -3.579
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -19.761 -12.283 -6.124
2 H2 GLY 1 2H GLY 1 -21.332 -12.517 -5.529
3 H3 GLY 1 3H GLY 1 -20.270 -13.834 -5.663
4 HA2 GLY 1 1HA GLY 1 -20.476 -13.108 -3.365
5 HA3 GLY 1 2HA GLY 1 -18.837 -12.932 -3.976
6 H ALA 2 H ALA 2 -21.843 -11.205 -3.362
7 HA ALA 2 HA ALA 2 -22.266 -9.150 -2.525
8 HB1 ALA 2 1HB ALA 2 -20.365 -9.497 -1.028
9 HB2 ALA 2 2HB ALA 2 -20.530 -7.808 -1.507
10 HB3 ALA 2 3HB ALA 2 -19.288 -8.817 -2.247
11 H MET 3 H MET 3 -19.727 -9.302 -4.955
12 HA MET 3 HA MET 3 -19.534 -8.301 -6.978
13 HB2 MET 3 1HB MET 3 -22.185 -7.074 -6.252
14 HB3 MET 3 2HB MET 3 -21.340 -6.683 -7.742
15 HG2 MET 3 1HG MET 3 -22.264 -9.423 -6.908
16 HG3 MET 3 2HG MET 3 -23.042 -8.383 -8.098
17 HE1 MET 3 1HE MET 3 -20.230 -8.190 -10.866
18 HE2 MET 3 2HE MET 3 -20.420 -7.115 -9.481
19 HE3 MET 3 3HE MET 3 -21.837 -7.635 -10.393
20 H GLY 4 H GLY 4 -20.229 -6.260 -4.214
21 HA2 GLY 4 1HA GLY 4 -18.824 -3.998 -5.359
22 HA3 GLY 4 2HA GLY 4 -19.497 -4.101 -3.738
23 H THR 5 H THR 5 -18.020 -6.789 -3.547
24 HA THR 5 HA THR 5 -15.642 -5.629 -2.371
25 HB THR 5 HB THR 5 -16.378 -8.524 -2.461
26 HG1 THR 5 1HG THR 5 -17.116 -7.683 -0.141
27 HG21 THR 5 1HG2 THR 5 -15.123 -8.580 -0.316
28 HG22 THR 5 2HG2 THR 5 -14.706 -6.884 -0.564
29 HG23 THR 5 3HG2 THR 5 -14.132 -8.110 -1.695
30 H LYS 6 H LYS 6 -14.936 -5.056 -4.575
31 HA LYS 6 HA LYS 6 -13.488 -7.202 -5.934
32 HB2 LYS 6 1HB LYS 6 -13.733 -4.254 -6.593
33 HB3 LYS 6 2HB LYS 6 -12.874 -5.435 -7.570
34 HG2 LYS 6 1HG LYS 6 -15.829 -5.440 -6.990
35 HG3 LYS 6 2HG LYS 6 -15.064 -4.958 -8.506
36 HD2 LYS 6 1HD LYS 6 -14.137 -7.246 -8.713
37 HD3 LYS 6 2HD LYS 6 -15.010 -7.702 -7.248
38 HE2 LYS 6 1HE LYS 6 -17.129 -7.191 -8.339
39 HE3 LYS 6 2HE LYS 6 -16.270 -6.692 -9.797
40 HZ1 LYS 6 1HZ LYS 6 -15.331 -8.994 -9.864
41 HZ2 LYS 6 2HZ LYS 6 -17.001 -8.903 -10.137
42 HZ3 LYS 6 3HZ LYS 6 -16.416 -9.418 -8.631
43 H TYR 7 H TYR 7 -13.055 -4.263 -4.129
44 HA TYR 7 HA TYR 7 -10.367 -5.145 -3.374
45 HB2 TYR 7 2HB TYR 7 -11.257 -2.338 -4.093
46 HB3 TYR 7 1HB TYR 7 -9.761 -2.685 -3.226
47 HD1 TYR 7 1HD TYR 7 -7.891 -3.742 -4.351
48 HD2 TYR 7 2HD TYR 7 -11.489 -2.881 -6.450
49 HE1 TYR 7 1HE TYR 7 -6.732 -4.125 -6.488
50 HE2 TYR 7 2HE TYR 7 -10.341 -3.258 -8.593
51 HH TYR 7 HH TYR 7 -8.028 -3.222 -9.481
52 H ALA 8 H ALA 8 -10.695 -5.817 -1.359
53 HA ALA 8 HA ALA 8 -12.423 -4.226 0.403
54 HB1 ALA 8 1HB ALA 8 -12.992 -6.604 0.212
55 HB2 ALA 8 2HB ALA 8 -12.495 -6.184 1.851
56 HB3 ALA 8 3HB ALA 8 -11.379 -7.033 0.782
57 H VAL 9 H VAL 9 -11.531 -4.641 2.839
58 HA VAL 9 HA VAL 9 -9.363 -2.985 3.180
59 HB VAL 9 HB VAL 9 -9.170 -3.902 5.484
60 HG11 VAL 9 1HG1 VAL 9 -10.723 -2.120 5.003
61 HG12 VAL 9 2HG1 VAL 9 -11.432 -3.223 6.182
62 HG13 VAL 9 3HG1 VAL 9 -11.946 -3.284 4.495
63 HG21 VAL 9 1HG2 VAL 9 -11.312 -5.810 4.541
64 HG22 VAL 9 2HG2 VAL 9 -10.837 -5.567 6.221
65 HG23 VAL 9 3HG2 VAL 9 -9.683 -6.237 5.068
66 HA PRO 10 HA PRO 10 -5.990 -5.604 1.966
67 HB2 PRO 10 2HB PRO 10 -4.054 -3.760 2.204
68 HB3 PRO 10 1HB PRO 10 -5.230 -3.722 0.886
69 HG2 PRO 10 2HG PRO 10 -5.144 -2.110 3.398
70 HG3 PRO 10 1HG PRO 10 -5.585 -1.607 1.757
71 HD2 PRO 10 2HD PRO 10 -7.393 -2.210 3.742
72 HD3 PRO 10 1HD PRO 10 -7.745 -2.298 2.006
73 H ASP 11 H ASP 11 -4.909 -7.027 3.117
74 HA ASP 11 HA ASP 11 -4.126 -6.364 5.864
75 HB2 ASP 11 1HB ASP 11 -5.350 -8.524 5.363
76 HB3 ASP 11 2HB ASP 11 -3.929 -9.044 4.465
77 H THR 12 H THR 12 -2.055 -5.937 6.347
78 HA THR 12 HA THR 12 -0.182 -5.737 4.177
79 HB THR 12 HB THR 12 1.325 -4.817 5.981
80 HG1 THR 12 1HG THR 12 0.434 -4.507 8.020
81 HG21 THR 12 1HG2 THR 12 -1.423 -3.607 5.604
82 HG22 THR 12 2HG2 THR 12 0.003 -3.332 4.600
83 HG23 THR 12 3HG2 THR 12 -0.030 -2.745 6.264
84 H SER 13 H SER 13 -1.072 -8.179 6.259
85 HA SER 13 HA SER 13 1.524 -9.390 6.607
86 HB2 SER 13 1HB SER 13 -1.137 -10.767 6.954
87 HB3 SER 13 2HB SER 13 0.386 -11.095 7.784
88 HG SER 13 HG SER 13 -1.417 -8.949 8.134
89 H THR 14 H THR 14 -0.991 -9.431 4.231
90 HA THR 14 HA THR 14 -0.041 -11.879 2.991
91 HB THR 14 HB THR 14 -1.781 -11.268 1.220
92 HG1 THR 14 1HG THR 14 -1.957 -9.036 1.764
93 HG21 THR 14 1HG2 THR 14 -3.651 -11.995 2.611
94 HG22 THR 14 2HG2 THR 14 -2.721 -11.630 4.065
95 HG23 THR 14 3HG2 THR 14 -2.196 -12.919 2.981
96 H TYR 15 H TYR 15 1.352 -9.071 3.175
97 HA TYR 15 HA TYR 15 1.869 -8.608 0.340
98 HB2 TYR 15 2HB TYR 15 2.720 -7.124 2.830
99 HB3 TYR 15 1HB TYR 15 3.258 -6.695 1.213
100 HD1 TYR 15 1HD TYR 15 2.084 -4.592 2.603
101 HD2 TYR 15 2HD TYR 15 0.094 -7.755 0.571
102 HE1 TYR 15 1HE TYR 15 0.111 -3.157 2.311
103 HE2 TYR 15 2HE TYR 15 -1.885 -6.328 0.276
104 HH TYR 15 HH TYR 15 -2.899 -4.392 1.148
105 H GLN 16 H GLN 16 4.109 -8.340 -0.376
106 HA GLN 16 HA GLN 16 5.898 -10.302 0.905
107 HB2 GLN 16 1HB GLN 16 5.965 -9.216 -1.919
108 HB3 GLN 16 2HB GLN 16 7.018 -10.462 -1.270
109 HG2 GLN 16 1HG GLN 16 5.105 -11.945 -0.992
110 HG3 GLN 16 2HG GLN 16 4.038 -10.691 -1.621
111 HE21 GLN 16 1HE2 GLN 16 4.378 -12.285 -4.695
112 HE22 GLN 16 2HE2 GLN 16 3.361 -11.953 -3.335
113 H TYR 17 H TYR 17 7.414 -9.343 2.145
114 HA TYR 17 HA TYR 17 7.985 -6.563 1.934
115 HB2 TYR 17 2HB TYR 17 8.109 -7.764 4.088
116 HB3 TYR 17 1HB TYR 17 9.477 -8.696 3.485
117 HD1 TYR 17 1HD TYR 17 11.668 -7.859 3.680
118 HD2 TYR 17 2HD TYR 17 8.370 -5.240 4.280
119 HE1 TYR 17 1HE TYR 17 13.204 -6.114 4.479
120 HE2 TYR 17 2HE TYR 17 9.898 -3.490 5.080
121 HH TYR 17 HH TYR 17 13.254 -3.642 4.682
122 H ASP 18 H ASP 18 9.365 -5.569 0.649
123 HA ASP 18 HA ASP 18 11.458 -7.137 -0.679
124 HB2 ASP 18 1HB ASP 18 10.010 -5.796 -2.151
125 HB3 ASP 18 2HB ASP 18 10.481 -4.336 -1.283
126 H GLU 19 H GLU 19 13.540 -6.796 -0.306
127 HA GLU 19 HA GLU 19 14.198 -5.326 2.087
128 HB2 GLU 19 1HB GLU 19 16.381 -6.471 1.828
129 HB3 GLU 19 2HB GLU 19 14.997 -7.546 1.838
130 HG2 GLU 19 1HG GLU 19 15.091 -7.533 -0.670
131 HG3 GLU 19 2HG GLU 19 16.650 -6.722 -0.516
132 H SER 20 H SER 20 14.781 -5.052 -1.344
133 HA SER 20 HA SER 20 17.038 -3.305 -1.067
134 HB2 SER 20 1HB SER 20 16.699 -4.825 -3.013
135 HB3 SER 20 2HB SER 20 15.319 -3.843 -3.500
136 HG SER 20 HG SER 20 16.775 -2.744 -4.562
137 H SER 21 H SER 21 13.603 -3.001 -1.360
138 HA SER 21 HA SER 21 13.865 -0.083 -1.583
139 HB2 SER 21 1HB SER 21 11.526 -1.914 -2.130
140 HB3 SER 21 2HB SER 21 11.468 -0.160 -2.229
141 HG SER 21 HG SER 21 13.325 -0.437 -3.740
142 H GLY 22 H GLY 22 12.790 -2.654 0.481
143 HA2 GLY 22 1HA GLY 22 12.360 -2.568 2.748
144 HA3 GLY 22 2HA GLY 22 12.560 -0.824 2.686
145 H TYR 23 H TYR 23 10.346 -2.322 0.503
146 HA TYR 23 HA TYR 23 8.112 -1.257 2.103
147 HB2 TYR 23 2HB TYR 23 8.487 -1.328 -0.889
148 HB3 TYR 23 1HB TYR 23 6.943 -0.989 -0.124
149 HD1 TYR 23 1HD TYR 23 10.132 0.364 -1.129
150 HD2 TYR 23 2HD TYR 23 6.720 1.035 1.313
151 HE1 TYR 23 1HE TYR 23 10.710 2.749 -0.985
152 HE2 TYR 23 2HE TYR 23 7.289 3.418 1.469
153 HH TYR 23 HH TYR 23 9.114 4.900 1.203
154 H TYR 24 H TYR 24 6.139 -2.392 2.017
155 HA TYR 24 HA TYR 24 6.402 -5.244 1.475
156 HB2 TYR 24 2HB TYR 24 4.245 -3.568 2.752
157 HB3 TYR 24 1HB TYR 24 4.008 -5.267 2.370
158 HD1 TYR 24 1HD TYR 24 5.128 -6.990 3.624
159 HD2 TYR 24 2HD TYR 24 5.748 -2.885 4.553
160 HE1 TYR 24 1HE TYR 24 6.120 -7.634 5.781
161 HE2 TYR 24 2HE TYR 24 6.744 -3.518 6.707
162 HH TYR 24 HH TYR 24 7.639 -6.730 7.456
163 H TYR 25 H TYR 25 6.060 -5.907 -0.555
164 HA TYR 25 HA TYR 25 4.604 -4.294 -2.415
165 HB2 TYR 25 2HB TYR 25 6.484 -5.553 -3.241
166 HB3 TYR 25 1HB TYR 25 5.792 -7.063 -2.655
167 HD1 TYR 25 1HD TYR 25 4.686 -8.411 -4.174
168 HD2 TYR 25 2HD TYR 25 4.918 -4.232 -4.939
169 HE1 TYR 25 1HE TYR 25 3.545 -8.749 -6.328
170 HE2 TYR 25 2HE TYR 25 3.787 -4.558 -7.097
171 HH TYR 25 HH TYR 25 3.309 -6.244 -8.707
172 H ASP 26 H ASP 26 2.530 -4.258 -2.703
173 HA ASP 26 HA ASP 26 0.824 -6.438 -1.779
174 HB2 ASP 26 1HB ASP 26 -0.033 -4.331 -1.117
175 HB3 ASP 26 2HB ASP 26 0.293 -3.614 -2.689
176 HA PRO 27 HA PRO 27 0.750 -7.708 -6.085
177 HB2 PRO 27 2HB PRO 27 -0.211 -10.253 -5.273
178 HB3 PRO 27 1HB PRO 27 1.447 -9.822 -5.686
179 HG2 PRO 27 2HG PRO 27 0.542 -10.567 -3.159
180 HG3 PRO 27 1HG PRO 27 2.067 -9.747 -3.515
181 HD2 PRO 27 2HD PRO 27 -0.496 -8.619 -2.514
182 HD3 PRO 27 1HD PRO 27 1.174 -8.142 -2.141
183 H THR 28 H THR 28 -1.721 -7.436 -3.779
184 HA THR 28 HA THR 28 -3.894 -8.520 -5.279
185 HB THR 28 HB THR 28 -4.410 -6.402 -3.260
186 HG1 THR 28 1HG THR 28 -2.885 -7.288 -2.041
187 HG21 THR 28 1HG2 THR 28 -6.098 -7.988 -2.515
188 HG22 THR 28 2HG2 THR 28 -5.452 -9.217 -3.601
189 HG23 THR 28 3HG2 THR 28 -6.211 -7.768 -4.262
190 H THR 29 H THR 29 -2.860 -5.182 -4.553
191 HA THR 29 HA THR 29 -4.570 -4.233 -6.751
192 HB THR 29 HB THR 29 -3.209 -2.462 -4.733
193 HG1 THR 29 1HG THR 29 -4.415 -3.970 -3.535
194 HG21 THR 29 1HG2 THR 29 -4.219 -1.389 -6.683
195 HG22 THR 29 2HG2 THR 29 -5.106 -0.980 -5.215
196 HG23 THR 29 3HG2 THR 29 -5.758 -2.179 -6.332
197 H GLY 30 H GLY 30 -1.298 -4.152 -5.429
198 HA2 GLY 30 1HA GLY 30 0.560 -4.263 -7.015
199 HA3 GLY 30 2HA GLY 30 -0.353 -3.186 -8.066
200 H LEU 31 H LEU 31 0.129 -2.975 -4.588
201 HA LEU 31 HA LEU 31 1.310 -0.291 -4.994
202 HB2 LEU 31 1HB LEU 31 -0.519 -1.272 -2.798
203 HB3 LEU 31 2HB LEU 31 0.296 0.275 -2.775
204 HG LEU 31 HG LEU 31 -1.779 -0.597 -4.790
205 HD11 LEU 31 1HD1 LEU 31 -1.901 1.439 -2.569
206 HD12 LEU 31 2HD1 LEU 31 -2.697 -0.136 -2.576
207 HD13 LEU 31 3HD1 LEU 31 -3.177 1.099 -3.739
208 HD21 LEU 31 1HD2 LEU 31 -0.347 2.042 -4.490
209 HD22 LEU 31 2HD2 LEU 31 -1.671 1.707 -5.607
210 HD23 LEU 31 3HD2 LEU 31 -0.123 0.882 -5.800
211 H TYR 32 H TYR 32 2.493 0.438 -2.958
212 HA TYR 32 HA TYR 32 3.925 -1.831 -1.744
213 HB2 TYR 32 2HB TYR 32 4.955 0.810 -2.744
214 HB3 TYR 32 1HB TYR 32 5.826 -0.076 -1.499
215 HD1 TYR 32 1HD TYR 32 6.898 -2.219 -2.025
216 HD2 TYR 32 2HD TYR 32 4.897 0.033 -5.030
217 HE1 TYR 32 1HE TYR 32 7.993 -3.572 -3.760
218 HE2 TYR 32 2HE TYR 32 5.984 -1.315 -6.773
219 HH TYR 32 HH TYR 32 8.011 -2.694 -7.038
220 H TYR 33 H TYR 33 3.707 -1.941 0.398
221 HA TYR 33 HA TYR 33 2.540 0.329 1.781
222 HB2 TYR 33 2HB TYR 33 1.555 -1.828 2.278
223 HB3 TYR 33 1HB TYR 33 3.126 -2.486 2.728
224 HD1 TYR 33 1HD TYR 33 3.768 -2.461 4.968
225 HD2 TYR 33 2HD TYR 33 0.759 0.241 3.650
226 HE1 TYR 33 1HE TYR 33 3.433 -1.710 7.286
227 HE2 TYR 33 2HE TYR 33 0.411 0.991 5.962
228 HH TYR 33 HH TYR 33 0.775 0.300 8.201
229 H ASP 34 H ASP 34 3.622 1.699 2.942
230 HA ASP 34 HA ASP 34 6.472 1.329 3.387
231 HB2 ASP 34 1HB ASP 34 5.476 3.475 2.518
232 HB3 ASP 34 2HB ASP 34 4.696 3.686 4.081
233 HA PRO 35 HA PRO 35 5.308 -0.273 7.476
234 HB2 PRO 35 2HB PRO 35 7.886 -0.957 8.140
235 HB3 PRO 35 1HB PRO 35 6.785 -2.002 7.234
236 HG2 PRO 35 2HG PRO 35 9.001 -0.271 6.256
237 HG3 PRO 35 1HG PRO 35 8.483 -1.864 5.685
238 HD2 PRO 35 2HD PRO 35 7.892 0.440 4.385
239 HD3 PRO 35 1HD PRO 35 6.838 -0.989 4.353
240 H ASN 36 H ASN 36 7.549 2.176 6.558
241 HA ASN 36 HA ASN 36 8.225 2.877 9.298
242 HB2 ASN 36 1HB ASN 36 9.849 2.872 7.310
243 HB3 ASN 36 2HB ASN 36 9.046 4.355 6.803
244 HD21 ASN 36 1HD2 ASN 36 11.623 4.314 9.929
245 HD22 ASN 36 2HD2 ASN 36 11.072 2.851 9.176
246 H SER 37 H SER 37 6.564 4.261 6.499
247 HA SER 37 HA SER 37 5.703 6.550 8.092
248 HB2 SER 37 1HB SER 37 5.024 5.963 5.208
249 HB3 SER 37 2HB SER 37 4.970 7.521 6.038
250 HG SER 37 HG SER 37 7.064 6.267 4.822
251 H GLN 38 H GLN 38 4.569 3.493 7.183
252 HA GLN 38 HA GLN 38 2.665 2.343 7.479
253 HB2 GLN 38 1HB GLN 38 2.049 4.626 9.346
254 HB3 GLN 38 2HB GLN 38 1.017 3.213 9.180
255 HG2 GLN 38 1HG GLN 38 2.906 1.782 9.843
256 HG3 GLN 38 2HG GLN 38 3.893 3.223 10.065
257 HE21 GLN 38 1HE2 GLN 38 1.177 2.093 12.854
258 HE22 GLN 38 2HE2 GLN 38 1.285 1.312 11.313
259 H TYR 39 H TYR 39 2.870 4.030 5.252
260 HA TYR 39 HA TYR 39 0.015 4.336 4.643
261 HB2 TYR 39 2HB TYR 39 2.251 6.249 3.980
262 HB3 TYR 39 1HB TYR 39 0.765 6.203 3.036
263 HD1 TYR 39 1HD TYR 39 -1.440 6.307 4.508
264 HD2 TYR 39 2HD TYR 39 2.368 7.752 5.728
265 HE1 TYR 39 1HE TYR 39 -2.532 7.799 6.121
266 HE2 TYR 39 2HE TYR 39 1.286 9.253 7.353
267 HH TYR 39 HH TYR 39 -1.977 8.941 8.236
268 H TYR 40 H TYR 40 -0.291 4.348 2.182
269 HA TYR 40 HA TYR 40 1.349 2.174 1.105
270 HB2 TYR 40 2HB TYR 40 -1.348 3.253 0.278
271 HB3 TYR 40 1HB TYR 40 -0.477 2.010 -0.615
272 HD1 TYR 40 1HD TYR 40 -2.589 2.715 2.222
273 HD2 TYR 40 2HD TYR 40 0.025 -0.165 0.497
274 HE1 TYR 40 1HE TYR 40 -3.517 0.992 3.711
275 HE2 TYR 40 2HE TYR 40 -0.897 -1.894 1.971
276 HH TYR 40 HH TYR 40 -3.726 -1.545 3.696
277 H TYR 41 H TYR 41 2.204 2.260 -0.979
278 HA TYR 41 HA TYR 41 2.635 4.984 -1.991
279 HB2 TYR 41 2HB TYR 41 4.689 4.148 -0.988
280 HB3 TYR 41 1HB TYR 41 4.553 2.645 -1.890
281 HD1 TYR 41 1HD TYR 41 5.965 2.425 -3.679
282 HD2 TYR 41 2HD TYR 41 4.579 6.315 -2.651
283 HE1 TYR 41 1HE TYR 41 7.286 3.376 -5.520
284 HE2 TYR 41 2HE TYR 41 5.896 7.277 -4.492
285 HH TYR 41 HH TYR 41 7.369 5.305 -6.909
286 H ASN 42 H ASN 42 1.782 5.268 -3.902
287 HA ASN 42 HA ASN 42 1.129 3.037 -5.616
288 HB2 ASN 42 1HB ASN 42 -0.293 5.121 -5.391
289 HB3 ASN 42 2HB ASN 42 0.966 5.987 -6.265
290 HD21 ASN 42 1HD2 ASN 42 -1.796 4.685 -8.494
291 HD22 ASN 42 2HD2 ASN 42 -1.808 5.517 -6.973
292 H SER 43 H SER 43 2.735 2.093 -6.697
293 HA SER 43 HA SER 43 5.225 3.395 -7.173
294 HB2 SER 43 1HB SER 43 5.489 1.137 -8.559
295 HB3 SER 43 2HB SER 43 5.538 1.154 -6.794
296 HG SER 43 HG SER 43 3.878 -0.197 -8.309
297 H LEU 44 H LEU 44 2.310 3.346 -8.881
298 HA LEU 44 HA LEU 44 3.555 3.648 -11.489
299 HB2 LEU 44 1HB LEU 44 1.491 2.327 -11.225
300 HB3 LEU 44 2HB LEU 44 0.655 3.765 -10.673
301 HG LEU 44 HG LEU 44 1.061 4.810 -12.884
302 HD11 LEU 44 1HD1 LEU 44 1.781 3.386 -14.744
303 HD12 LEU 44 2HD1 LEU 44 2.112 2.079 -13.606
304 HD13 LEU 44 3HD1 LEU 44 3.046 3.573 -13.532
305 HD21 LEU 44 1HD2 LEU 44 -1.049 3.669 -12.390
306 HD22 LEU 44 2HD2 LEU 44 -0.366 2.155 -12.981
307 HD23 LEU 44 3HD2 LEU 44 -0.603 3.505 -14.088
308 H THR 45 H THR 45 1.650 5.578 -9.207
309 HA THR 45 HA THR 45 2.006 7.932 -10.912
310 HB THR 45 HB THR 45 0.302 7.768 -8.427
311 HG1 THR 45 1HG THR 45 -0.369 7.134 -11.132
312 HG21 THR 45 1HG2 THR 45 -0.932 9.588 -9.506
313 HG22 THR 45 2HG2 THR 45 0.159 9.519 -10.891
314 HG23 THR 45 3HG2 THR 45 0.768 10.018 -9.312
315 H GLN 46 H GLN 46 3.311 6.474 -8.185
316 HA GLN 46 HA GLN 46 4.881 7.046 -6.672
317 HB2 GLN 46 1HB GLN 46 5.266 9.491 -8.405
318 HB3 GLN 46 2HB GLN 46 6.378 8.917 -7.171
319 HG2 GLN 46 1HG GLN 46 6.780 6.893 -8.420
320 HG3 GLN 46 2HG GLN 46 5.587 7.373 -9.629
321 HE21 GLN 46 1HE2 GLN 46 7.728 9.519 -11.345
322 HE22 GLN 46 2HE2 GLN 46 6.108 8.964 -11.111
323 H GLN 47 H GLN 47 2.760 7.307 -5.457
324 HA GLN 47 HA GLN 47 2.782 9.883 -4.086
325 HB2 GLN 47 1HB GLN 47 0.379 10.184 -4.295
326 HB3 GLN 47 2HB GLN 47 1.098 10.086 -5.896
327 HG2 GLN 47 1HG GLN 47 0.421 7.716 -6.016
328 HG3 GLN 47 2HG GLN 47 -0.378 7.897 -4.458
329 HE21 GLN 47 1HE2 GLN 47 -2.594 10.431 -6.200
330 HE22 GLN 47 2HE2 GLN 47 -1.270 10.622 -5.099
331 H TYR 48 H TYR 48 1.473 9.787 -2.071
332 HA TYR 48 HA TYR 48 1.552 7.077 -0.954
333 HB2 TYR 48 2HB TYR 48 1.965 9.776 0.231
334 HB3 TYR 48 1HB TYR 48 1.287 8.515 1.254
335 HD1 TYR 48 1HD TYR 48 4.049 8.730 -1.283
336 HD2 TYR 48 2HD TYR 48 2.808 7.486 2.596
337 HE1 TYR 48 1HE TYR 48 6.302 7.838 -0.844
338 HE2 TYR 48 2HE TYR 48 5.046 6.589 3.038
339 HH TYR 48 HH TYR 48 7.021 5.961 2.040
340 H LEU 49 H LEU 49 -0.138 6.192 0.040
341 HA LEU 49 HA LEU 49 -2.725 7.582 -0.206
342 HB2 LEU 49 1HB LEU 49 -2.122 4.781 -1.168
343 HB3 LEU 49 2HB LEU 49 -3.689 5.563 -1.208
344 HG LEU 49 HG LEU 49 -1.356 6.755 -2.674
345 HD11 LEU 49 1HD1 LEU 49 -2.068 5.549 -4.670
346 HD12 LEU 49 2HD1 LEU 49 -3.231 4.635 -3.709
347 HD13 LEU 49 3HD1 LEU 49 -1.501 4.446 -3.417
348 HD21 LEU 49 1HD2 LEU 49 -3.166 7.631 -4.094
349 HD22 LEU 49 2HD2 LEU 49 -3.320 8.140 -2.413
350 HD23 LEU 49 3HD2 LEU 49 -4.349 6.851 -3.041
351 H TYR 50 H TYR 50 -4.468 6.446 0.949
352 HA TYR 50 HA TYR 50 -3.621 4.448 2.895
353 HB2 TYR 50 2HB TYR 50 -4.603 5.577 4.783
354 HB3 TYR 50 1HB TYR 50 -3.464 6.682 4.032
355 HD1 TYR 50 1HD TYR 50 -4.345 8.584 2.639
356 HD2 TYR 50 2HD TYR 50 -6.894 6.129 4.999
357 HE1 TYR 50 1HE TYR 50 -6.099 10.302 2.521
358 HE2 TYR 50 2HE TYR 50 -8.658 7.835 4.883
359 HH TYR 50 HH TYR 50 -8.747 10.378 4.520
360 H TRP 51 H TRP 51 -5.367 3.153 3.653
361 HA TRP 51 HA TRP 51 -7.506 3.045 1.687
362 HB2 TRP 51 2HB TRP 51 -6.449 0.939 2.179
363 HB3 TRP 51 1HB TRP 51 -6.698 1.163 3.908
364 HD1 TRP 51 1HD TRP 51 -9.001 0.463 4.918
365 HE1 TRP 51 1HE TRP 51 -11.077 -0.726 3.975
366 HE3 TRP 51 3HE TRP 51 -7.871 0.666 -0.071
367 HZ2 TRP 51 2HZ TRP 51 -12.098 -1.486 1.466
368 HZ3 TRP 51 3HZ TRP 51 -9.456 -0.332 -1.676
369 HH2 TRP 51 2HH TRP 51 -11.528 -1.377 -0.916
370 H ASP 52 H ASP 52 -9.377 4.018 2.003
371 HA ASP 52 HA ASP 52 -10.241 4.491 4.766
372 HB2 ASP 52 1HB ASP 52 -10.196 6.472 3.298
373 HB3 ASP 52 2HB ASP 52 -11.342 5.694 2.213
374 H GLY 53 H GLY 53 -11.805 3.314 5.620
375 HA2 GLY 53 1HA GLY 53 -12.717 0.999 4.281
376 HA3 GLY 53 2HA GLY 53 -13.246 1.551 5.858
377 H GLU 54 H GLU 54 -14.077 4.169 4.379
378 HA GLU 54 HA GLU 54 -16.733 3.128 3.711
379 HB2 GLU 54 1HB GLU 54 -16.624 4.932 5.378
380 HB3 GLU 54 2HB GLU 54 -15.818 5.970 4.208
381 HG2 GLU 54 1HG GLU 54 -17.770 6.033 2.825
382 HG3 GLU 54 2HG GLU 54 -18.575 4.831 3.832
383 H LYS 55 H LYS 55 -14.127 5.114 2.415
384 HA LYS 55 HA LYS 55 -15.497 5.721 -0.018
385 HB2 LYS 55 1HB LYS 55 -12.523 5.868 0.496
386 HB3 LYS 55 2HB LYS 55 -13.432 6.734 -0.735
387 HG2 LYS 55 1HG LYS 55 -13.743 7.115 2.235
388 HG3 LYS 55 2HG LYS 55 -12.802 8.155 1.166
389 HD2 LYS 55 1HD LYS 55 -15.693 7.622 0.609
390 HD3 LYS 55 2HD LYS 55 -15.216 8.839 1.795
391 HE2 LYS 55 1HE LYS 55 -14.210 8.769 -1.041
392 HE3 LYS 55 2HE LYS 55 -15.600 9.717 -0.515
393 HZ1 LYS 55 1HZ LYS 55 -12.839 9.997 0.557
394 HZ2 LYS 55 2HZ LYS 55 -14.183 10.935 0.993
395 HZ3 LYS 55 3HZ LYS 55 -13.557 11.028 -0.581
396 H GLU 56 H GLU 56 -13.707 3.071 1.126
397 HA GLU 56 HA GLU 56 -13.134 1.059 0.275
398 HB2 GLU 56 1HB GLU 56 -15.275 1.827 -1.707
399 HB3 GLU 56 2HB GLU 56 -14.522 0.237 -1.663
400 HG2 GLU 56 1HG GLU 56 -15.358 -0.176 0.535
401 HG3 GLU 56 2HG GLU 56 -15.941 1.480 0.676
402 H THR 57 H THR 57 -11.466 3.178 -0.410
403 HA THR 57 HA THR 57 -10.135 2.069 -2.701
404 HB THR 57 HB THR 57 -11.767 3.604 -3.778
405 HG1 THR 57 1HG THR 57 -9.584 5.077 -4.355
406 HG21 THR 57 1HG2 THR 57 -12.034 5.253 -2.022
407 HG22 THR 57 2HG2 THR 57 -11.478 6.046 -3.498
408 HG23 THR 57 3HG2 THR 57 -10.346 5.737 -2.181
409 H TYR 58 H TYR 58 -8.031 3.116 -3.044
410 HA TYR 58 HA TYR 58 -6.890 4.023 -0.533
411 HB2 TYR 58 2HB TYR 58 -5.533 3.517 -3.190
412 HB3 TYR 58 1HB TYR 58 -4.730 3.801 -1.653
413 HD1 TYR 58 1HD TYR 58 -6.542 1.370 -3.692
414 HD2 TYR 58 2HD TYR 58 -4.679 2.067 0.067
415 HE1 TYR 58 1HE TYR 58 -6.555 -1.048 -3.246
416 HE2 TYR 58 2HE TYR 58 -4.688 -0.349 0.524
417 HH TYR 58 HH TYR 58 -5.404 -2.673 -1.888
418 H VAL 59 H VAL 59 -7.066 6.061 -0.088
419 HA VAL 59 HA VAL 59 -7.217 8.024 -2.258
420 HB VAL 59 HB VAL 59 -8.003 9.487 -0.180
421 HG11 VAL 59 1HG1 VAL 59 -9.341 9.015 -2.172
422 HG12 VAL 59 2HG1 VAL 59 -10.320 8.872 -0.712
423 HG13 VAL 59 3HG1 VAL 59 -9.741 7.421 -1.531
424 HG21 VAL 59 1HG2 VAL 59 -8.691 6.669 0.658
425 HG22 VAL 59 2HG2 VAL 59 -9.323 8.140 1.396
426 HG23 VAL 59 3HG2 VAL 59 -7.603 7.771 1.505
427 HA PRO 60 HA PRO 60 -3.204 9.464 -1.409
428 HB2 PRO 60 2HB PRO 60 -4.101 12.182 -2.088
429 HB3 PRO 60 1HB PRO 60 -2.921 11.150 -2.900
430 HG2 PRO 60 2HG PRO 60 -5.327 11.647 -3.975
431 HG3 PRO 60 1HG PRO 60 -4.529 10.073 -4.161
432 HD2 PRO 60 2HD PRO 60 -6.745 10.870 -2.307
433 HD3 PRO 60 1HD PRO 60 -6.533 9.374 -3.239
434 H ALA 61 H ALA 61 -2.342 9.760 0.478
435 HA ALA 61 HA ALA 61 -3.587 11.547 2.438
436 HB1 ALA 61 1HB ALA 61 -1.371 9.529 2.784
437 HB2 ALA 61 2HB ALA 61 -3.071 9.275 3.180
438 HB3 ALA 61 3HB ALA 61 -2.124 10.465 4.074
439 H ALA 62 H ALA 62 -0.639 11.057 0.614
440 HA ALA 62 HA ALA 62 0.310 13.681 1.542
441 HB1 ALA 62 1HB ALA 62 2.013 11.277 0.900
442 HB2 ALA 62 2HB ALA 62 1.672 11.900 2.515
443 HB3 ALA 62 3HB ALA 62 2.604 12.871 1.374
444 H GLU 63 H GLU 63 -0.302 14.896 -0.144
445 HA GLU 63 HA GLU 63 0.602 14.081 -2.824
446 HB2 GLU 63 1HB GLU 63 -1.519 16.101 -2.060
447 HB3 GLU 63 2HB GLU 63 -1.066 15.654 -3.700
448 HG2 GLU 63 1HG GLU 63 -1.755 13.309 -3.144
449 HG3 GLU 63 2HG GLU 63 -2.418 13.939 -1.637
450 H SER 64 H SER 64 1.891 15.442 -4.006
451 HA SER 64 HA SER 64 2.522 18.077 -2.991
452 HB2 SER 64 1HB SER 64 5.031 17.506 -3.070
453 HB3 SER 64 2HB SER 64 4.116 16.948 -1.671
454 HG SER 64 HG SER 64 3.936 15.046 -3.471
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -15.262 -7.447 -8.803
2 H2 GLY 1 2H GLY 1 -15.507 -7.681 -7.140
3 H3 GLY 1 3H GLY 1 -16.039 -6.252 -7.883
4 HA2 GLY 1 1HA GLY 1 -17.645 -7.480 -9.184
5 HA3 GLY 1 2HA GLY 1 -17.083 -8.970 -8.438
6 H ALA 2 H ALA 2 -19.740 -7.768 -8.417
7 HA ALA 2 HA ALA 2 -20.087 -6.917 -5.647
8 HB1 ALA 2 1HB ALA 2 -21.305 -5.716 -7.394
9 HB2 ALA 2 2HB ALA 2 -22.410 -6.509 -6.274
10 HB3 ALA 2 3HB ALA 2 -22.112 -7.213 -7.862
11 H MET 3 H MET 3 -20.892 -9.590 -7.797
12 HA MET 3 HA MET 3 -22.478 -11.026 -5.942
13 HB2 MET 3 1HB MET 3 -22.548 -11.453 -8.369
14 HB3 MET 3 2HB MET 3 -20.896 -12.053 -8.307
15 HG2 MET 3 1HG MET 3 -21.613 -13.873 -6.843
16 HG3 MET 3 2HG MET 3 -23.268 -13.276 -6.915
17 HE1 MET 3 1HE MET 3 -24.096 -13.770 -10.732
18 HE2 MET 3 2HE MET 3 -23.406 -12.333 -9.974
19 HE3 MET 3 3HE MET 3 -24.709 -13.213 -9.176
20 H GLY 4 H GLY 4 -19.045 -11.041 -6.728
21 HA2 GLY 4 1HA GLY 4 -18.564 -12.934 -4.533
22 HA3 GLY 4 2HA GLY 4 -17.419 -12.526 -5.806
23 H THR 5 H THR 5 -15.966 -10.931 -5.465
24 HA THR 5 HA THR 5 -16.350 -9.221 -3.119
25 HB THR 5 HB THR 5 -14.918 -11.113 -2.436
26 HG1 THR 5 1HG THR 5 -13.279 -8.798 -2.591
27 HG21 THR 5 1HG2 THR 5 -13.044 -10.051 -4.546
28 HG22 THR 5 2HG2 THR 5 -13.872 -11.605 -4.573
29 HG23 THR 5 3HG2 THR 5 -12.642 -11.283 -3.351
30 H LYS 6 H LYS 6 -15.187 -7.248 -3.160
31 HA LYS 6 HA LYS 6 -13.945 -6.564 -5.743
32 HB2 LYS 6 1HB LYS 6 -14.850 -4.302 -5.547
33 HB3 LYS 6 2HB LYS 6 -16.155 -5.479 -5.549
34 HG2 LYS 6 1HG LYS 6 -16.438 -5.255 -3.176
35 HG3 LYS 6 2HG LYS 6 -15.013 -4.220 -3.068
36 HD2 LYS 6 1HD LYS 6 -16.155 -2.577 -4.530
37 HD3 LYS 6 2HD LYS 6 -17.597 -3.592 -4.490
38 HE2 LYS 6 1HE LYS 6 -17.754 -1.762 -2.875
39 HE3 LYS 6 2HE LYS 6 -17.727 -3.328 -2.068
40 HZ1 LYS 6 1HZ LYS 6 -15.429 -3.012 -1.511
41 HZ2 LYS 6 2HZ LYS 6 -16.301 -1.655 -0.990
42 HZ3 LYS 6 3HZ LYS 6 -15.354 -1.568 -2.397
43 H TYR 7 H TYR 7 -13.081 -3.984 -4.952
44 HA TYR 7 HA TYR 7 -10.787 -4.420 -3.437
45 HB2 TYR 7 2HB TYR 7 -12.382 -1.905 -3.930
46 HB3 TYR 7 1HB TYR 7 -10.871 -1.901 -3.032
47 HD1 TYR 7 1HD TYR 7 -12.404 -2.311 -6.338
48 HD2 TYR 7 2HD TYR 7 -8.754 -2.245 -4.156
49 HE1 TYR 7 1HE TYR 7 -11.154 -2.107 -8.445
50 HE2 TYR 7 2HE TYR 7 -7.493 -2.044 -6.258
51 HH TYR 7 HH TYR 7 -9.018 -1.349 -9.253
52 H ALA 8 H ALA 8 -10.619 -5.027 -1.397
53 HA ALA 8 HA ALA 8 -12.611 -4.079 0.546
54 HB1 ALA 8 1HB ALA 8 -12.539 -6.273 1.636
55 HB2 ALA 8 2HB ALA 8 -11.469 -6.864 0.366
56 HB3 ALA 8 3HB ALA 8 -13.122 -6.388 -0.023
57 H VAL 9 H VAL 9 -11.723 -4.767 2.862
58 HA VAL 9 HA VAL 9 -9.487 -3.160 3.343
59 HB VAL 9 HB VAL 9 -9.483 -4.195 5.637
60 HG11 VAL 9 1HG1 VAL 9 -12.133 -3.207 4.589
61 HG12 VAL 9 2HG1 VAL 9 -10.788 -2.200 5.126
62 HG13 VAL 9 3HG1 VAL 9 -11.636 -3.227 6.282
63 HG21 VAL 9 1HG2 VAL 9 -11.827 -5.733 4.524
64 HG22 VAL 9 2HG2 VAL 9 -11.367 -5.657 6.225
65 HG23 VAL 9 3HG2 VAL 9 -10.289 -6.416 5.052
66 HA PRO 10 HA PRO 10 -6.327 -6.130 2.293
67 HB2 PRO 10 2HB PRO 10 -4.306 -4.384 2.184
68 HB3 PRO 10 1HB PRO 10 -5.558 -4.437 0.940
69 HG2 PRO 10 2HG PRO 10 -5.188 -2.508 3.176
70 HG3 PRO 10 1HG PRO 10 -5.797 -2.226 1.538
71 HD2 PRO 10 2HD PRO 10 -7.354 -2.530 3.839
72 HD3 PRO 10 1HD PRO 10 -7.939 -2.644 2.169
73 H ASP 11 H ASP 11 -5.037 -7.381 3.480
74 HA ASP 11 HA ASP 11 -4.186 -6.425 6.116
75 HB2 ASP 11 1HB ASP 11 -5.372 -8.565 6.162
76 HB3 ASP 11 2HB ASP 11 -4.236 -9.237 4.998
77 H THR 12 H THR 12 -2.177 -5.864 6.434
78 HA THR 12 HA THR 12 -0.349 -5.856 4.240
79 HB THR 12 HB THR 12 1.172 -4.734 5.892
80 HG1 THR 12 1HG THR 12 0.599 -5.295 7.910
81 HG21 THR 12 1HG2 THR 12 -0.309 -2.711 6.104
82 HG22 THR 12 2HG2 THR 12 -1.640 -3.701 5.493
83 HG23 THR 12 3HG2 THR 12 -0.227 -3.394 4.479
84 H SER 13 H SER 13 -1.043 -8.078 6.680
85 HA SER 13 HA SER 13 1.573 -9.131 7.097
86 HB2 SER 13 1HB SER 13 -1.094 -10.516 7.476
87 HB3 SER 13 2HB SER 13 0.444 -10.963 8.216
88 HG SER 13 HG SER 13 -1.231 -8.770 8.752
89 H THR 14 H THR 14 -0.802 -9.484 4.618
90 HA THR 14 HA THR 14 0.419 -11.945 3.627
91 HB THR 14 HB THR 14 -1.481 -11.820 1.926
92 HG1 THR 14 1HG THR 14 -1.924 -9.538 2.379
93 HG21 THR 14 1HG2 THR 14 -2.192 -12.010 4.854
94 HG22 THR 14 2HG2 THR 14 -1.523 -13.313 3.870
95 HG23 THR 14 3HG2 THR 14 -3.130 -12.676 3.518
96 H TYR 15 H TYR 15 1.520 -9.062 3.452
97 HA TYR 15 HA TYR 15 1.804 -8.819 0.557
98 HB2 TYR 15 2HB TYR 15 2.731 -7.086 2.844
99 HB3 TYR 15 1HB TYR 15 3.193 -6.788 1.176
100 HD1 TYR 15 1HD TYR 15 1.700 -4.896 3.024
101 HD2 TYR 15 2HD TYR 15 0.340 -7.727 0.155
102 HE1 TYR 15 1HE TYR 15 -0.341 -3.568 2.689
103 HE2 TYR 15 2HE TYR 15 -1.707 -6.406 -0.181
104 HH TYR 15 HH TYR 15 -2.979 -4.716 0.681
105 H GLN 16 H GLN 16 4.090 -8.259 -0.190
106 HA GLN 16 HA GLN 16 5.944 -10.249 0.951
107 HB2 GLN 16 1HB GLN 16 5.891 -9.070 -1.835
108 HB3 GLN 16 2HB GLN 16 7.003 -10.307 -1.262
109 HG2 GLN 16 1HG GLN 16 5.202 -11.875 -1.001
110 HG3 GLN 16 2HG GLN 16 4.017 -10.632 -1.411
111 HE21 GLN 16 1HE2 GLN 16 4.482 -10.885 -4.866
112 HE22 GLN 16 2HE2 GLN 16 3.815 -9.977 -3.555
113 H TYR 17 H TYR 17 7.253 -9.195 2.336
114 HA TYR 17 HA TYR 17 7.973 -6.461 2.037
115 HB2 TYR 17 2HB TYR 17 7.957 -7.502 4.246
116 HB3 TYR 17 1HB TYR 17 9.223 -8.625 3.753
117 HD1 TYR 17 1HD TYR 17 8.484 -5.084 4.506
118 HD2 TYR 17 2HD TYR 17 11.522 -7.970 3.766
119 HE1 TYR 17 1HE TYR 17 10.189 -3.471 5.252
120 HE2 TYR 17 2HE TYR 17 13.233 -6.371 4.505
121 HH TYR 17 HH TYR 17 13.544 -3.977 4.757
122 H ASP 18 H ASP 18 9.459 -5.600 0.771
123 HA ASP 18 HA ASP 18 11.453 -7.395 -0.426
124 HB2 ASP 18 1HB ASP 18 9.923 -6.109 -1.948
125 HB3 ASP 18 2HB ASP 18 10.676 -4.628 -1.355
126 H GLU 19 H GLU 19 13.589 -6.995 -0.265
127 HA GLU 19 HA GLU 19 14.387 -5.406 2.013
128 HB2 GLU 19 1HB GLU 19 16.439 -6.606 1.862
129 HB3 GLU 19 2HB GLU 19 15.140 -7.718 1.485
130 HG2 GLU 19 1HG GLU 19 15.589 -7.415 -0.913
131 HG3 GLU 19 2HG GLU 19 16.971 -6.408 -0.487
132 H SER 20 H SER 20 14.598 -5.262 -1.424
133 HA SER 20 HA SER 20 16.745 -3.335 -1.434
134 HB2 SER 20 1HB SER 20 15.089 -4.700 -3.541
135 HB3 SER 20 2HB SER 20 16.244 -3.427 -3.948
136 HG SER 20 HG SER 20 17.438 -5.219 -4.106
137 H SER 21 H SER 21 13.283 -3.468 -1.711
138 HA SER 21 HA SER 21 13.167 -0.618 -2.357
139 HB2 SER 21 1HB SER 21 11.678 -2.148 -3.588
140 HB3 SER 21 2HB SER 21 10.916 -2.621 -2.069
141 HG SER 21 HG SER 21 10.781 -0.044 -2.050
142 H GLY 22 H GLY 22 12.775 -2.781 0.326
143 HA2 GLY 22 1HA GLY 22 12.637 -2.284 2.577
144 HA3 GLY 22 2HA GLY 22 12.702 -0.578 2.163
145 H TYR 23 H TYR 23 10.269 -2.139 0.460
146 HA TYR 23 HA TYR 23 8.248 -1.264 2.419
147 HB2 TYR 23 2HB TYR 23 8.074 -1.231 -0.605
148 HB3 TYR 23 1HB TYR 23 6.763 -0.811 0.487
149 HD1 TYR 23 1HD TYR 23 7.556 1.076 2.306
150 HD2 TYR 23 2HD TYR 23 9.153 0.518 -1.597
151 HE1 TYR 23 1HE TYR 23 8.273 3.429 2.265
152 HE2 TYR 23 2HE TYR 23 9.879 2.864 -1.643
153 HH TYR 23 HH TYR 23 9.912 4.847 1.127
154 H TYR 24 H TYR 24 6.151 -2.377 2.199
155 HA TYR 24 HA TYR 24 6.462 -5.216 1.607
156 HB2 TYR 24 2HB TYR 24 4.224 -3.597 2.827
157 HB3 TYR 24 1HB TYR 24 4.052 -5.302 2.429
158 HD1 TYR 24 1HD TYR 24 5.197 -7.000 3.712
159 HD2 TYR 24 2HD TYR 24 5.625 -2.880 4.685
160 HE1 TYR 24 1HE TYR 24 6.156 -7.620 5.883
161 HE2 TYR 24 2HE TYR 24 6.585 -3.489 6.862
162 HH TYR 24 HH TYR 24 6.620 -5.328 8.401
163 H TYR 25 H TYR 25 6.148 -5.872 -0.421
164 HA TYR 25 HA TYR 25 4.850 -4.178 -2.327
165 HB2 TYR 25 2HB TYR 25 6.727 -5.514 -3.060
166 HB3 TYR 25 1HB TYR 25 5.927 -6.998 -2.550
167 HD1 TYR 25 1HD TYR 25 4.719 -8.228 -4.106
168 HD2 TYR 25 2HD TYR 25 5.479 -4.113 -4.879
169 HE1 TYR 25 1HE TYR 25 3.717 -8.472 -6.334
170 HE2 TYR 25 2HE TYR 25 4.479 -4.347 -7.116
171 HH TYR 25 HH TYR 25 4.069 -6.188 -8.770
172 H ASP 26 H ASP 26 2.850 -4.175 -2.957
173 HA ASP 26 HA ASP 26 0.979 -6.183 -1.956
174 HB2 ASP 26 1HB ASP 26 0.237 -4.014 -1.379
175 HB3 ASP 26 2HB ASP 26 0.671 -3.352 -2.947
176 HA PRO 27 HA PRO 27 1.050 -7.585 -6.299
177 HB2 PRO 27 2HB PRO 27 0.257 -10.103 -5.707
178 HB3 PRO 27 1HB PRO 27 1.942 -9.583 -5.569
179 HG2 PRO 27 2HG PRO 27 -0.141 -9.846 -3.426
180 HG3 PRO 27 1HG PRO 27 1.561 -10.351 -3.404
181 HD2 PRO 27 2HD PRO 27 0.716 -8.049 -2.239
182 HD3 PRO 27 1HD PRO 27 2.320 -8.224 -2.972
183 H THR 28 H THR 28 -1.343 -7.213 -3.893
184 HA THR 28 HA THR 28 -3.553 -8.407 -5.212
185 HB THR 28 HB THR 28 -3.976 -6.108 -3.369
186 HG1 THR 28 1HG THR 28 -2.506 -6.931 -2.081
187 HG21 THR 28 1HG2 THR 28 -5.636 -7.655 -2.408
188 HG22 THR 28 2HG2 THR 28 -5.127 -8.892 -3.559
189 HG23 THR 28 3HG2 THR 28 -5.880 -7.404 -4.136
190 H THR 29 H THR 29 -2.414 -5.043 -4.951
191 HA THR 29 HA THR 29 -4.099 -4.388 -7.275
192 HB THR 29 HB THR 29 -3.062 -2.422 -5.227
193 HG1 THR 29 1HG THR 29 -4.540 -3.355 -4.006
194 HG21 THR 29 1HG2 THR 29 -5.243 -2.223 -7.309
195 HG22 THR 29 2HG2 THR 29 -3.650 -1.472 -7.411
196 HG23 THR 29 3HG2 THR 29 -4.789 -0.960 -6.165
197 H GLY 30 H GLY 30 -0.963 -3.853 -5.713
198 HA2 GLY 30 1HA GLY 30 0.964 -4.129 -7.287
199 HA3 GLY 30 2HA GLY 30 0.094 -3.046 -8.365
200 H LEU 31 H LEU 31 0.416 -2.795 -4.873
201 HA LEU 31 HA LEU 31 1.720 -0.169 -5.289
202 HB2 LEU 31 1HB LEU 31 -0.258 -0.975 -3.160
203 HB3 LEU 31 2HB LEU 31 0.561 0.574 -3.236
204 HG LEU 31 HG LEU 31 -1.380 -0.479 -5.299
205 HD11 LEU 31 1HD1 LEU 31 -1.691 1.634 -3.173
206 HD12 LEU 31 2HD1 LEU 31 -2.510 0.073 -3.237
207 HD13 LEU 31 3HD1 LEU 31 -2.854 1.302 -4.454
208 HD21 LEU 31 1HD2 LEU 31 0.353 0.997 -6.242
209 HD22 LEU 31 2HD2 LEU 31 -0.080 2.235 -5.063
210 HD23 LEU 31 3HD2 LEU 31 -1.248 1.731 -6.285
211 H TYR 32 H TYR 32 2.685 0.590 -3.076
212 HA TYR 32 HA TYR 32 4.064 -1.685 -1.808
213 HB2 TYR 32 2HB TYR 32 5.115 1.006 -2.653
214 HB3 TYR 32 1HB TYR 32 5.893 0.112 -1.356
215 HD1 TYR 32 1HD TYR 32 6.941 -2.092 -1.837
216 HD2 TYR 32 2HD TYR 32 5.422 0.398 -4.934
217 HE1 TYR 32 1HE TYR 32 8.260 -3.351 -3.486
218 HE2 TYR 32 2HE TYR 32 6.734 -0.855 -6.592
219 HH TYR 32 HH TYR 32 8.791 -2.237 -6.636
220 H TYR 33 H TYR 33 3.662 -1.854 0.315
221 HA TYR 33 HA TYR 33 2.447 0.406 1.702
222 HB2 TYR 33 2HB TYR 33 1.322 -1.700 2.034
223 HB3 TYR 33 1HB TYR 33 2.825 -2.490 2.493
224 HD1 TYR 33 1HD TYR 33 3.579 -2.472 4.731
225 HD2 TYR 33 2HD TYR 33 0.354 0.055 3.571
226 HE1 TYR 33 1HE TYR 33 3.132 -1.965 7.093
227 HE2 TYR 33 2HE TYR 33 -0.095 0.572 5.932
228 HH TYR 33 HH TYR 33 0.271 -0.400 8.118
229 H ASP 34 H ASP 34 3.650 1.761 2.832
230 HA ASP 34 HA ASP 34 6.376 1.050 3.542
231 HB2 ASP 34 1HB ASP 34 5.932 3.330 2.707
232 HB3 ASP 34 2HB ASP 34 4.844 3.611 4.062
233 HA PRO 35 HA PRO 35 4.937 -0.505 7.492
234 HB2 PRO 35 2HB PRO 35 7.499 -0.937 8.432
235 HB3 PRO 35 1HB PRO 35 6.558 -2.099 7.485
236 HG2 PRO 35 2HG PRO 35 8.717 -0.239 6.611
237 HG3 PRO 35 1HG PRO 35 8.363 -1.886 6.064
238 HD2 PRO 35 2HD PRO 35 7.713 0.301 4.616
239 HD3 PRO 35 1HD PRO 35 6.732 -1.177 4.604
240 H ASN 36 H ASN 36 7.104 2.131 6.853
241 HA ASN 36 HA ASN 36 7.283 2.874 9.644
242 HB2 ASN 36 1HB ASN 36 9.122 3.188 7.885
243 HB3 ASN 36 2HB ASN 36 8.173 4.558 7.311
244 HD21 ASN 36 1HD2 ASN 36 10.242 4.736 10.800
245 HD22 ASN 36 2HD2 ASN 36 9.951 3.227 9.991
246 H SER 37 H SER 37 5.930 4.342 6.686
247 HA SER 37 HA SER 37 4.616 6.394 8.233
248 HB2 SER 37 1HB SER 37 4.372 5.761 5.289
249 HB3 SER 37 2HB SER 37 3.875 7.253 6.080
250 HG SER 37 HG SER 37 6.465 6.254 5.592
251 H GLN 38 H GLN 38 3.824 3.265 7.129
252 HA GLN 38 HA GLN 38 1.956 1.988 7.165
253 HB2 GLN 38 1HB GLN 38 0.937 4.240 8.893
254 HB3 GLN 38 2HB GLN 38 -0.018 2.808 8.532
255 HG2 GLN 38 1HG GLN 38 1.603 1.394 9.603
256 HG3 GLN 38 2HG GLN 38 2.684 2.761 9.859
257 HE21 GLN 38 1HE2 GLN 38 0.001 4.126 12.150
258 HE22 GLN 38 2HE2 GLN 38 0.495 4.572 10.553
259 H TYR 39 H TYR 39 2.466 3.910 5.073
260 HA TYR 39 HA TYR 39 -0.272 4.275 4.058
261 HB2 TYR 39 2HB TYR 39 2.170 6.002 3.633
262 HB3 TYR 39 1HB TYR 39 0.722 6.129 2.644
263 HD1 TYR 39 1HD TYR 39 2.369 7.551 5.323
264 HD2 TYR 39 2HD TYR 39 -1.519 6.275 4.165
265 HE1 TYR 39 1HE TYR 39 1.382 9.080 6.975
266 HE2 TYR 39 2HE TYR 39 -2.521 7.795 5.808
267 HH TYR 39 HH TYR 39 -0.661 10.211 7.457
268 H TYR 40 H TYR 40 -0.410 4.250 1.685
269 HA TYR 40 HA TYR 40 1.293 2.127 0.612
270 HB2 TYR 40 2HB TYR 40 -1.401 3.185 -0.255
271 HB3 TYR 40 1HB TYR 40 -0.475 2.014 -1.191
272 HD1 TYR 40 1HD TYR 40 -0.310 -0.275 -0.504
273 HD2 TYR 40 2HD TYR 40 -2.335 2.560 1.939
274 HE1 TYR 40 1HE TYR 40 -1.259 -2.110 0.825
275 HE2 TYR 40 2HE TYR 40 -3.289 0.731 3.279
276 HH TYR 40 HH TYR 40 -2.281 -2.599 2.818
277 H TYR 41 H TYR 41 2.411 2.339 -1.244
278 HA TYR 41 HA TYR 41 2.772 5.089 -2.215
279 HB2 TYR 41 2HB TYR 41 4.705 4.295 -0.958
280 HB3 TYR 41 1HB TYR 41 4.771 2.832 -1.928
281 HD1 TYR 41 1HD TYR 41 6.441 2.751 -3.465
282 HD2 TYR 41 2HD TYR 41 4.722 6.529 -2.538
283 HE1 TYR 41 1HE TYR 41 8.007 3.833 -5.011
284 HE2 TYR 41 2HE TYR 41 6.283 7.625 -4.086
285 HH TYR 41 HH TYR 41 8.283 5.818 -6.260
286 H ASN 42 H ASN 42 2.004 5.332 -4.176
287 HA ASN 42 HA ASN 42 1.509 3.133 -5.947
288 HB2 ASN 42 1HB ASN 42 0.105 5.210 -5.847
289 HB3 ASN 42 2HB ASN 42 1.446 6.101 -6.554
290 HD21 ASN 42 1HD2 ASN 42 -1.144 4.849 -9.040
291 HD22 ASN 42 2HD2 ASN 42 -1.316 5.528 -7.460
292 H SER 43 H SER 43 2.970 2.208 -7.226
293 HA SER 43 HA SER 43 5.637 3.245 -7.306
294 HB2 SER 43 1HB SER 43 5.980 1.159 -8.788
295 HB3 SER 43 2HB SER 43 5.516 0.909 -7.105
296 HG SER 43 HG SER 43 3.842 -0.114 -7.830
297 H LEU 44 H LEU 44 2.906 3.598 -9.299
298 HA LEU 44 HA LEU 44 4.470 4.154 -11.696
299 HB2 LEU 44 1HB LEU 44 2.443 2.876 -11.984
300 HB3 LEU 44 2HB LEU 44 1.502 4.110 -11.173
301 HG LEU 44 HG LEU 44 1.970 5.672 -13.031
302 HD11 LEU 44 1HD1 LEU 44 2.913 4.797 -15.121
303 HD12 LEU 44 2HD1 LEU 44 3.287 3.279 -14.300
304 HD13 LEU 44 3HD1 LEU 44 4.082 4.771 -13.799
305 HD21 LEU 44 1HD2 LEU 44 -0.079 4.376 -13.035
306 HD22 LEU 44 2HD2 LEU 44 0.745 3.037 -13.836
307 HD23 LEU 44 3HD2 LEU 44 0.527 4.570 -14.680
308 H THR 45 H THR 45 2.015 5.845 -9.739
309 HA THR 45 HA THR 45 2.698 8.351 -11.036
310 HB THR 45 HB THR 45 0.762 8.122 -8.755
311 HG1 THR 45 1HG THR 45 0.005 7.610 -11.452
312 HG21 THR 45 1HG2 THR 45 0.775 9.777 -11.283
313 HG22 THR 45 2HG2 THR 45 1.248 10.341 -9.680
314 HG23 THR 45 3HG2 THR 45 -0.423 9.868 -9.991
315 H GLN 46 H GLN 46 3.579 6.613 -8.312
316 HA GLN 46 HA GLN 46 4.925 6.960 -6.560
317 HB2 GLN 46 1HB GLN 46 5.812 9.342 -8.192
318 HB3 GLN 46 2HB GLN 46 6.676 8.688 -6.802
319 HG2 GLN 46 1HG GLN 46 6.893 6.539 -7.975
320 HG3 GLN 46 2HG GLN 46 6.082 7.235 -9.373
321 HE21 GLN 46 1HE2 GLN 46 9.318 7.721 -10.585
322 HE22 GLN 46 2HE2 GLN 46 7.844 6.812 -10.678
323 H GLN 47 H GLN 47 2.431 7.675 -6.060
324 HA GLN 47 HA GLN 47 2.703 10.075 -4.376
325 HB2 GLN 47 1HB GLN 47 0.300 10.400 -4.578
326 HB3 GLN 47 2HB GLN 47 1.032 10.351 -6.174
327 HG2 GLN 47 1HG GLN 47 0.308 8.037 -6.442
328 HG3 GLN 47 2HG GLN 47 -0.430 8.082 -4.843
329 HE21 GLN 47 1HE2 GLN 47 -3.292 9.819 -5.863
330 HE22 GLN 47 2HE2 GLN 47 -2.303 9.318 -4.532
331 H TYR 48 H TYR 48 1.130 9.939 -2.446
332 HA TYR 48 HA TYR 48 1.394 7.233 -1.330
333 HB2 TYR 48 2HB TYR 48 1.674 9.936 -0.086
334 HB3 TYR 48 1HB TYR 48 1.183 8.567 0.908
335 HD1 TYR 48 1HD TYR 48 2.750 7.029 1.692
336 HD2 TYR 48 2HD TYR 48 3.873 9.766 -1.367
337 HE1 TYR 48 1HE TYR 48 5.086 6.324 1.930
338 HE2 TYR 48 2HE TYR 48 6.220 9.068 -1.132
339 HH TYR 48 HH TYR 48 7.138 6.306 0.675
340 H LEU 49 H LEU 49 -0.245 6.279 -0.312
341 HA LEU 49 HA LEU 49 -2.881 7.582 -0.412
342 HB2 LEU 49 1HB LEU 49 -2.233 4.827 -1.473
343 HB3 LEU 49 2HB LEU 49 -3.824 5.557 -1.420
344 HG LEU 49 HG LEU 49 -1.604 6.849 -2.973
345 HD11 LEU 49 1HD1 LEU 49 -3.472 4.692 -3.938
346 HD12 LEU 49 2HD1 LEU 49 -1.716 4.583 -3.804
347 HD13 LEU 49 3HD1 LEU 49 -2.444 5.689 -4.967
348 HD21 LEU 49 1HD2 LEU 49 -3.526 7.702 -4.270
349 HD22 LEU 49 2HD2 LEU 49 -3.559 8.193 -2.575
350 HD23 LEU 49 3HD2 LEU 49 -4.611 6.893 -3.137
351 H TYR 50 H TYR 50 -4.535 6.235 0.762
352 HA TYR 50 HA TYR 50 -3.480 4.213 2.550
353 HB2 TYR 50 2HB TYR 50 -4.293 5.200 4.589
354 HB3 TYR 50 1HB TYR 50 -3.203 6.338 3.816
355 HD1 TYR 50 1HD TYR 50 -4.217 8.313 2.569
356 HD2 TYR 50 2HD TYR 50 -6.484 5.795 5.140
357 HE1 TYR 50 1HE TYR 50 -5.917 10.076 2.789
358 HE2 TYR 50 2HE TYR 50 -8.200 7.539 5.354
359 HH TYR 50 HH TYR 50 -8.234 10.110 5.155
360 H TRP 51 H TRP 51 -5.116 2.824 3.363
361 HA TRP 51 HA TRP 51 -7.481 2.798 1.704
362 HB2 TRP 51 2HB TRP 51 -6.374 0.668 2.088
363 HB3 TRP 51 1HB TRP 51 -6.531 0.864 3.834
364 HD1 TRP 51 1HD TRP 51 -8.824 0.194 4.937
365 HE1 TRP 51 1HE TRP 51 -10.976 -0.901 4.053
366 HE3 TRP 51 3HE TRP 51 -7.895 0.487 -0.085
367 HZ2 TRP 51 2HZ TRP 51 -12.127 -1.555 1.579
368 HZ3 TRP 51 3HZ TRP 51 -9.582 -0.399 -1.644
369 HH2 TRP 51 2HH TRP 51 -11.659 -1.395 -0.824
370 H ASP 52 H ASP 52 -9.246 3.837 2.242
371 HA ASP 52 HA ASP 52 -9.854 4.239 5.091
372 HB2 ASP 52 1HB ASP 52 -9.840 6.293 3.782
373 HB3 ASP 52 2HB ASP 52 -10.984 5.602 2.636
374 H GLY 53 H GLY 53 -11.611 3.316 6.008
375 HA2 GLY 53 1HA GLY 53 -12.812 1.132 4.588
376 HA3 GLY 53 2HA GLY 53 -13.125 1.592 6.254
377 H GLU 54 H GLU 54 -13.655 4.403 4.865
378 HA GLU 54 HA GLU 54 -16.520 3.918 4.630
379 HB2 GLU 54 1HB GLU 54 -15.583 5.812 5.991
380 HB3 GLU 54 2HB GLU 54 -15.019 6.541 4.494
381 HG2 GLU 54 1HG GLU 54 -17.062 7.589 5.153
382 HG3 GLU 54 2HG GLU 54 -17.348 6.637 3.696
383 H LYS 55 H LYS 55 -13.909 5.423 2.763
384 HA LYS 55 HA LYS 55 -15.525 5.657 0.384
385 HB2 LYS 55 1HB LYS 55 -12.530 5.961 0.657
386 HB3 LYS 55 2HB LYS 55 -13.551 6.618 -0.615
387 HG2 LYS 55 1HG LYS 55 -13.689 7.420 2.286
388 HG3 LYS 55 2HG LYS 55 -12.829 8.308 1.026
389 HD2 LYS 55 1HD LYS 55 -15.742 7.659 0.748
390 HD3 LYS 55 2HD LYS 55 -15.209 9.068 1.667
391 HE2 LYS 55 1HE LYS 55 -14.419 8.513 -1.187
392 HE3 LYS 55 2HE LYS 55 -15.779 9.536 -0.721
393 HZ1 LYS 55 1HZ LYS 55 -14.245 10.978 0.459
394 HZ2 LYS 55 2HZ LYS 55 -13.790 10.842 -1.169
395 HZ3 LYS 55 3HZ LYS 55 -12.935 9.994 0.024
396 H GLU 56 H GLU 56 -13.591 3.249 1.821
397 HA GLU 56 HA GLU 56 -12.629 1.311 1.140
398 HB2 GLU 56 1HB GLU 56 -15.124 1.293 -0.554
399 HB3 GLU 56 2HB GLU 56 -14.071 -0.100 -0.332
400 HG2 GLU 56 1HG GLU 56 -14.465 0.320 2.190
401 HG3 GLU 56 2HG GLU 56 -15.852 1.251 1.636
402 H THR 57 H THR 57 -11.078 2.955 0.133
403 HA THR 57 HA THR 57 -10.133 1.764 -2.249
404 HB THR 57 HB THR 57 -11.907 3.246 -3.219
405 HG1 THR 57 1HG THR 57 -10.626 3.485 -4.885
406 HG21 THR 57 1HG2 THR 57 -10.180 5.453 -2.097
407 HG22 THR 57 2HG2 THR 57 -11.843 5.080 -1.639
408 HG23 THR 57 3HG2 THR 57 -11.486 5.680 -3.259
409 H TYR 58 H TYR 58 -8.118 3.024 -2.997
410 HA TYR 58 HA TYR 58 -6.680 3.860 -0.605
411 HB2 TYR 58 2HB TYR 58 -5.672 3.435 -3.420
412 HB3 TYR 58 1HB TYR 58 -4.673 3.741 -2.010
413 HD1 TYR 58 1HD TYR 58 -6.450 1.241 -3.923
414 HD2 TYR 58 2HD TYR 58 -4.542 2.023 -0.200
415 HE1 TYR 58 1HE TYR 58 -6.303 -1.179 -3.496
416 HE2 TYR 58 2HE TYR 58 -4.388 -0.390 0.236
417 HH TYR 58 HH TYR 58 -5.518 -2.461 -0.448
418 H VAL 59 H VAL 59 -7.155 5.881 -0.121
419 HA VAL 59 HA VAL 59 -7.433 7.879 -2.232
420 HB VAL 59 HB VAL 59 -8.200 9.346 -0.266
421 HG11 VAL 59 1HG1 VAL 59 -9.810 6.911 -1.040
422 HG12 VAL 59 2HG1 VAL 59 -9.719 8.427 -1.936
423 HG13 VAL 59 3HG1 VAL 59 -10.460 8.390 -0.336
424 HG21 VAL 59 1HG2 VAL 59 -9.077 8.131 1.672
425 HG22 VAL 59 2HG2 VAL 59 -7.326 7.960 1.539
426 HG23 VAL 59 3HG2 VAL 59 -8.381 6.636 1.048
427 HA PRO 60 HA PRO 60 -3.465 9.576 -1.621
428 HB2 PRO 60 2HB PRO 60 -3.995 12.238 -2.062
429 HB3 PRO 60 1HB PRO 60 -3.821 11.032 -3.340
430 HG2 PRO 60 2HG PRO 60 -6.307 12.143 -2.106
431 HG3 PRO 60 1HG PRO 60 -5.964 11.792 -3.810
432 HD2 PRO 60 2HD PRO 60 -7.452 10.145 -2.297
433 HD3 PRO 60 1HD PRO 60 -6.356 9.527 -3.552
434 H ALA 61 H ALA 61 -2.463 9.800 0.232
435 HA ALA 61 HA ALA 61 -3.695 10.736 2.606
436 HB1 ALA 61 1HB ALA 61 -1.888 9.114 2.670
437 HB2 ALA 61 2HB ALA 61 -1.450 10.552 3.595
438 HB3 ALA 61 3HB ALA 61 -0.775 10.297 1.986
439 H ALA 62 H ALA 62 -1.830 12.228 0.106
440 HA ALA 62 HA ALA 62 -2.017 14.812 1.498
441 HB1 ALA 62 1HB ALA 62 -0.315 15.612 -0.078
442 HB2 ALA 62 2HB ALA 62 -0.273 14.023 -0.841
443 HB3 ALA 62 3HB ALA 62 0.259 14.210 0.830
444 H GLU 63 H GLU 63 -3.394 16.308 0.717
445 HA GLU 63 HA GLU 63 -4.978 15.590 -1.624
446 HB2 GLU 63 1HB GLU 63 -6.365 17.586 -0.933
447 HB3 GLU 63 2HB GLU 63 -6.296 16.263 0.222
448 HG2 GLU 63 1HG GLU 63 -4.564 17.511 1.475
449 HG3 GLU 63 2HG GLU 63 -4.773 18.856 0.356
450 H SER 64 H SER 64 -2.168 16.609 -1.713
451 HA SER 64 HA SER 64 -2.500 19.059 -3.259
452 HB2 SER 64 1HB SER 64 0.069 17.619 -2.571
453 HB3 SER 64 2HB SER 64 -0.113 19.285 -3.126
454 HG SER 64 HG SER 64 -1.386 19.592 -1.124
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -20.203 -4.811 5.317
2 H2 GLY 1 2H GLY 1 -19.841 -6.422 5.698
3 H3 GLY 1 3H GLY 1 -21.412 -5.996 5.215
4 HA2 GLY 1 1HA GLY 1 -20.573 -5.369 3.020
5 HA3 GLY 1 2HA GLY 1 -18.971 -5.892 3.529
6 H ALA 2 H ALA 2 -22.276 -6.966 2.927
7 HA ALA 2 HA ALA 2 -21.228 -9.674 2.421
8 HB1 ALA 2 1HB ALA 2 -23.220 -10.640 3.451
9 HB2 ALA 2 2HB ALA 2 -23.791 -9.024 3.875
10 HB3 ALA 2 3HB ALA 2 -22.318 -9.661 4.609
11 H MET 3 H MET 3 -21.469 -8.001 0.362
12 HA MET 3 HA MET 3 -23.829 -9.023 -1.059
13 HB2 MET 3 1HB MET 3 -22.851 -6.164 -1.076
14 HB3 MET 3 2HB MET 3 -23.945 -6.817 -2.287
15 HG2 MET 3 1HG MET 3 -24.504 -6.696 0.667
16 HG3 MET 3 2HG MET 3 -25.096 -5.548 -0.532
17 HE1 MET 3 1HE MET 3 -27.061 -7.050 1.477
18 HE2 MET 3 2HE MET 3 -28.366 -7.445 0.356
19 HE3 MET 3 3HE MET 3 -27.551 -5.887 0.247
20 H GLY 4 H GLY 4 -21.013 -6.963 -1.721
21 HA2 GLY 4 1HA GLY 4 -19.670 -8.947 -3.263
22 HA3 GLY 4 2HA GLY 4 -20.480 -7.772 -4.294
23 H THR 5 H THR 5 -18.017 -8.238 -1.865
24 HA THR 5 HA THR 5 -17.178 -5.557 -1.661
25 HB THR 5 HB THR 5 -14.970 -6.779 -0.909
26 HG1 THR 5 1HG THR 5 -15.318 -8.926 -0.348
27 HG21 THR 5 1HG2 THR 5 -16.492 -5.608 0.599
28 HG22 THR 5 2HG2 THR 5 -15.960 -7.131 1.313
29 HG23 THR 5 3HG2 THR 5 -17.573 -7.003 0.609
30 H LYS 6 H LYS 6 -16.525 -4.433 -3.354
31 HA LYS 6 HA LYS 6 -15.046 -5.590 -5.533
32 HB2 LYS 6 1HB LYS 6 -15.487 -2.668 -4.870
33 HB3 LYS 6 2HB LYS 6 -14.940 -3.313 -6.409
34 HG2 LYS 6 1HG LYS 6 -17.648 -3.756 -5.169
35 HG3 LYS 6 2HG LYS 6 -17.278 -2.666 -6.504
36 HD2 LYS 6 1HD LYS 6 -16.533 -4.614 -7.836
37 HD3 LYS 6 2HD LYS 6 -17.011 -5.672 -6.508
38 HE2 LYS 6 1HE LYS 6 -19.314 -4.843 -6.703
39 HE3 LYS 6 2HE LYS 6 -18.825 -3.831 -8.060
40 HZ1 LYS 6 1HZ LYS 6 -18.164 -5.886 -9.237
41 HZ2 LYS 6 2HZ LYS 6 -19.823 -5.822 -8.886
42 HZ3 LYS 6 3HZ LYS 6 -18.799 -6.800 -7.951
43 H TYR 7 H TYR 7 -14.392 -3.379 -2.866
44 HA TYR 7 HA TYR 7 -11.590 -4.241 -2.891
45 HB2 TYR 7 2HB TYR 7 -12.511 -1.363 -2.626
46 HB3 TYR 7 1HB TYR 7 -10.856 -1.929 -2.425
47 HD1 TYR 7 1HD TYR 7 -13.457 -1.038 -4.786
48 HD2 TYR 7 2HD TYR 7 -9.591 -2.773 -4.394
49 HE1 TYR 7 1HE TYR 7 -13.096 -0.763 -7.197
50 HE2 TYR 7 2HE TYR 7 -9.220 -2.499 -6.809
51 HH TYR 7 HH TYR 7 -10.604 -2.303 -8.870
52 H ALA 8 H ALA 8 -11.368 -5.258 -1.026
53 HA ALA 8 HA ALA 8 -12.912 -4.358 1.300
54 HB1 ALA 8 1HB ALA 8 -11.454 -6.961 0.859
55 HB2 ALA 8 2HB ALA 8 -13.189 -6.701 0.663
56 HB3 ALA 8 3HB ALA 8 -12.448 -6.547 2.256
57 H VAL 9 H VAL 9 -11.646 -4.990 3.444
58 HA VAL 9 HA VAL 9 -9.514 -3.156 3.649
59 HB VAL 9 HB VAL 9 -9.169 -4.057 5.930
60 HG11 VAL 9 1HG1 VAL 9 -12.034 -3.530 5.158
61 HG12 VAL 9 2HG1 VAL 9 -10.815 -2.325 5.576
62 HG13 VAL 9 3HG1 VAL 9 -11.394 -3.455 6.800
63 HG21 VAL 9 1HG2 VAL 9 -11.325 -6.023 5.168
64 HG22 VAL 9 2HG2 VAL 9 -10.680 -5.784 6.791
65 HG23 VAL 9 3HG2 VAL 9 -9.637 -6.407 5.513
66 HA PRO 10 HA PRO 10 -6.211 -5.763 2.384
67 HB2 PRO 10 2HB PRO 10 -4.233 -3.986 2.672
68 HB3 PRO 10 1HB PRO 10 -5.479 -3.802 1.436
69 HG2 PRO 10 2HG PRO 10 -5.116 -2.343 3.988
70 HG3 PRO 10 1HG PRO 10 -5.851 -1.795 2.473
71 HD2 PRO 10 2HD PRO 10 -7.186 -2.720 4.798
72 HD3 PRO 10 1HD PRO 10 -7.911 -2.342 3.225
73 H ASP 11 H ASP 11 -5.120 -7.297 3.351
74 HA ASP 11 HA ASP 11 -4.189 -6.925 6.096
75 HB2 ASP 11 1HB ASP 11 -4.585 -9.345 4.350
76 HB3 ASP 11 2HB ASP 11 -3.527 -9.430 5.755
77 H THR 12 H THR 12 -2.064 -6.804 6.618
78 HA THR 12 HA THR 12 -0.275 -6.297 4.388
79 HB THR 12 HB THR 12 1.309 -5.571 6.218
80 HG1 THR 12 1HG THR 12 0.210 -5.217 8.288
81 HG21 THR 12 1HG2 THR 12 -1.418 -4.293 5.946
82 HG22 THR 12 2HG2 THR 12 0.048 -3.916 5.030
83 HG23 THR 12 3HG2 THR 12 -0.048 -3.516 6.747
84 H SER 13 H SER 13 -1.126 -8.906 6.234
85 HA SER 13 HA SER 13 1.450 -10.191 6.385
86 HB2 SER 13 1HB SER 13 -1.276 -11.458 6.713
87 HB3 SER 13 2HB SER 13 0.264 -12.026 7.365
88 HG SER 13 HG SER 13 -0.097 -10.824 9.041
89 H THR 14 H THR 14 -0.758 -9.608 3.958
90 HA THR 14 HA THR 14 -0.040 -12.028 2.460
91 HB THR 14 HB THR 14 -1.879 -11.253 0.884
92 HG1 THR 14 1HG THR 14 -2.015 -9.085 1.623
93 HG21 THR 14 1HG2 THR 14 -2.648 -11.873 3.739
94 HG22 THR 14 2HG2 THR 14 -2.214 -13.056 2.507
95 HG23 THR 14 3HG2 THR 14 -3.677 -12.090 2.323
96 H TYR 15 H TYR 15 1.520 -9.452 2.945
97 HA TYR 15 HA TYR 15 1.844 -8.566 0.171
98 HB2 TYR 15 2HB TYR 15 2.804 -7.376 2.774
99 HB3 TYR 15 1HB TYR 15 3.263 -6.754 1.195
100 HD1 TYR 15 1HD TYR 15 0.281 -7.521 0.194
101 HD2 TYR 15 2HD TYR 15 1.950 -5.101 3.263
102 HE1 TYR 15 1HE TYR 15 -1.732 -6.112 0.168
103 HE2 TYR 15 2HE TYR 15 -0.057 -3.682 3.244
104 HH TYR 15 HH TYR 15 -2.908 -4.574 1.500
105 H GLN 16 H GLN 16 4.169 -8.031 -0.403
106 HA GLN 16 HA GLN 16 5.959 -10.174 0.557
107 HB2 GLN 16 1HB GLN 16 5.976 -8.825 -2.156
108 HB3 GLN 16 2HB GLN 16 6.998 -10.159 -1.650
109 HG2 GLN 16 1HG GLN 16 5.093 -11.632 -1.546
110 HG3 GLN 16 2HG GLN 16 4.005 -10.292 -1.909
111 HE21 GLN 16 1HE2 GLN 16 4.148 -11.446 -5.207
112 HE22 GLN 16 2HE2 GLN 16 3.218 -11.328 -3.749
113 H TYR 17 H TYR 17 7.301 -9.176 1.989
114 HA TYR 17 HA TYR 17 7.970 -6.421 1.818
115 HB2 TYR 17 2HB TYR 17 8.066 -7.588 3.963
116 HB3 TYR 17 1HB TYR 17 9.344 -8.640 3.356
117 HD1 TYR 17 1HD TYR 17 8.544 -5.088 4.102
118 HD2 TYR 17 2HD TYR 17 11.602 -7.990 3.529
119 HE1 TYR 17 1HE TYR 17 10.227 -3.449 4.820
120 HE2 TYR 17 2HE TYR 17 13.295 -6.360 4.251
121 HH TYR 17 HH TYR 17 13.548 -3.899 4.357
122 H ASP 18 H ASP 18 9.240 -5.518 0.354
123 HA ASP 18 HA ASP 18 11.353 -7.123 -0.877
124 HB2 ASP 18 1HB ASP 18 9.952 -5.935 -2.463
125 HB3 ASP 18 2HB ASP 18 10.265 -4.408 -1.643
126 H GLU 19 H GLU 19 13.415 -6.815 -0.483
127 HA GLU 19 HA GLU 19 14.146 -5.036 1.675
128 HB2 GLU 19 1HB GLU 19 16.293 -6.200 1.569
129 HB3 GLU 19 2HB GLU 19 14.944 -7.316 1.612
130 HG2 GLU 19 1HG GLU 19 15.119 -7.593 -0.828
131 HG3 GLU 19 2HG GLU 19 16.557 -6.571 -0.797
132 H SER 20 H SER 20 14.333 -5.149 -1.743
133 HA SER 20 HA SER 20 16.559 -3.395 -2.057
134 HB2 SER 20 1HB SER 20 15.898 -5.003 -3.779
135 HB3 SER 20 2HB SER 20 14.349 -4.186 -3.968
136 HG SER 20 HG SER 20 16.869 -2.935 -4.402
137 H SER 21 H SER 21 13.123 -3.027 -1.667
138 HA SER 21 HA SER 21 13.360 -0.136 -2.121
139 HB2 SER 21 1HB SER 21 10.843 -1.800 -1.943
140 HB3 SER 21 2HB SER 21 10.988 -0.139 -2.496
141 HG SER 21 HG SER 21 11.896 -2.508 -3.749
142 H GLY 22 H GLY 22 12.478 -2.587 0.228
143 HA2 GLY 22 1HA GLY 22 12.691 -2.310 2.554
144 HA3 GLY 22 2HA GLY 22 12.698 -0.567 2.325
145 H TYR 23 H TYR 23 10.229 -2.024 0.577
146 HA TYR 23 HA TYR 23 8.283 -1.307 2.668
147 HB2 TYR 23 2HB TYR 23 7.996 -0.958 -0.324
148 HB3 TYR 23 1HB TYR 23 6.785 -0.538 0.878
149 HD1 TYR 23 1HD TYR 23 9.312 0.733 -1.153
150 HD2 TYR 23 2HD TYR 23 7.695 1.123 2.761
151 HE1 TYR 23 1HE TYR 23 10.263 2.997 -0.993
152 HE2 TYR 23 2HE TYR 23 8.640 3.385 2.933
153 HH TYR 23 HH TYR 23 10.432 4.715 1.945
154 H TYR 24 H TYR 24 6.151 -2.349 2.392
155 HA TYR 24 HA TYR 24 6.447 -5.145 1.634
156 HB2 TYR 24 2HB TYR 24 4.271 -3.593 3.026
157 HB3 TYR 24 1HB TYR 24 4.048 -5.263 2.518
158 HD1 TYR 24 1HD TYR 24 5.712 -3.038 4.890
159 HD2 TYR 24 2HD TYR 24 5.280 -7.063 3.589
160 HE1 TYR 24 1HE TYR 24 6.764 -3.815 6.972
161 HE2 TYR 24 2HE TYR 24 6.331 -7.858 5.660
162 HH TYR 24 HH TYR 24 6.873 -5.788 8.357
163 H TYR 25 H TYR 25 6.123 -5.699 -0.403
164 HA TYR 25 HA TYR 25 4.715 -4.017 -2.245
165 HB2 TYR 25 2HB TYR 25 6.644 -5.253 -3.005
166 HB3 TYR 25 1HB TYR 25 5.915 -6.778 -2.514
167 HD1 TYR 25 1HD TYR 25 4.794 -8.056 -4.095
168 HD2 TYR 25 2HD TYR 25 5.328 -3.889 -4.800
169 HE1 TYR 25 1HE TYR 25 3.875 -8.328 -6.356
170 HE2 TYR 25 2HE TYR 25 4.407 -4.151 -7.066
171 HH TYR 25 HH TYR 25 2.775 -6.945 -8.097
172 H ASP 26 H ASP 26 2.664 -4.065 -2.768
173 HA ASP 26 HA ASP 26 0.967 -6.296 -1.943
174 HB2 ASP 26 1HB ASP 26 0.112 -4.110 -1.326
175 HB3 ASP 26 2HB ASP 26 0.291 -3.532 -2.974
176 HA PRO 27 HA PRO 27 1.404 -7.515 -6.298
177 HB2 PRO 27 2HB PRO 27 0.409 -10.023 -5.837
178 HB3 PRO 27 1HB PRO 27 2.112 -9.586 -5.652
179 HG2 PRO 27 2HG PRO 27 -0.010 -9.875 -3.568
180 HG3 PRO 27 1HG PRO 27 1.699 -10.349 -3.513
181 HD2 PRO 27 2HD PRO 27 0.772 -8.104 -2.305
182 HD3 PRO 27 1HD PRO 27 2.404 -8.232 -2.986
183 H THR 28 H THR 28 -1.272 -7.308 -4.129
184 HA THR 28 HA THR 28 -3.329 -8.257 -5.813
185 HB THR 28 HB THR 28 -3.782 -6.095 -3.781
186 HG1 THR 28 1HG THR 28 -2.680 -7.307 -2.428
187 HG21 THR 28 1HG2 THR 28 -5.685 -6.999 -5.051
188 HG22 THR 28 2HG2 THR 28 -5.810 -7.375 -3.332
189 HG23 THR 28 3HG2 THR 28 -5.294 -8.619 -4.473
190 H THR 29 H THR 29 -2.422 -4.908 -4.963
191 HA THR 29 HA THR 29 -3.867 -3.976 -7.345
192 HB THR 29 HB THR 29 -2.729 -2.061 -5.368
193 HG1 THR 29 1HG THR 29 -3.603 -3.524 -3.942
194 HG21 THR 29 1HG2 THR 29 -5.405 -2.240 -6.766
195 HG22 THR 29 2HG2 THR 29 -4.026 -1.291 -7.320
196 HG23 THR 29 3HG2 THR 29 -4.825 -0.883 -5.802
197 H GLY 30 H GLY 30 -0.700 -3.977 -5.809
198 HA2 GLY 30 1HA GLY 30 1.262 -3.995 -7.246
199 HA3 GLY 30 2HA GLY 30 0.422 -2.887 -8.326
200 H LEU 31 H LEU 31 0.650 -2.767 -4.813
201 HA LEU 31 HA LEU 31 1.897 -0.103 -5.092
202 HB2 LEU 31 1HB LEU 31 -0.133 -0.999 -3.045
203 HB3 LEU 31 2HB LEU 31 0.636 0.576 -3.091
204 HG LEU 31 HG LEU 31 -1.260 -0.542 -5.159
205 HD11 LEU 31 1HD1 LEU 31 -1.567 1.687 -3.157
206 HD12 LEU 31 2HD1 LEU 31 -2.371 0.120 -3.103
207 HD13 LEU 31 3HD1 LEU 31 -2.738 1.253 -4.401
208 HD21 LEU 31 1HD2 LEU 31 0.108 2.142 -5.031
209 HD22 LEU 31 2HD2 LEU 31 -1.131 1.669 -6.197
210 HD23 LEU 31 3HD2 LEU 31 0.439 0.863 -6.198
211 H TYR 32 H TYR 32 2.747 0.592 -2.817
212 HA TYR 32 HA TYR 32 4.016 -1.715 -1.495
213 HB2 TYR 32 2HB TYR 32 5.203 0.906 -2.363
214 HB3 TYR 32 1HB TYR 32 5.890 0.041 -0.996
215 HD1 TYR 32 1HD TYR 32 5.544 0.162 -4.612
216 HD2 TYR 32 2HD TYR 32 6.924 -2.182 -1.339
217 HE1 TYR 32 1HE TYR 32 6.867 -1.217 -6.162
218 HE2 TYR 32 2HE TYR 32 8.249 -3.564 -2.877
219 HH TYR 32 HH TYR 32 8.899 -2.691 -6.057
220 H TYR 33 H TYR 33 3.488 -1.840 0.606
221 HA TYR 33 HA TYR 33 2.302 0.479 1.911
222 HB2 TYR 33 2HB TYR 33 1.138 -1.619 2.236
223 HB3 TYR 33 1HB TYR 33 2.612 -2.403 2.791
224 HD1 TYR 33 1HD TYR 33 3.268 -2.298 5.063
225 HD2 TYR 33 2HD TYR 33 0.085 0.157 3.671
226 HE1 TYR 33 1HE TYR 33 2.709 -1.718 7.384
227 HE2 TYR 33 2HE TYR 33 -0.483 0.746 5.991
228 HH TYR 33 HH TYR 33 -0.188 -0.251 8.269
229 H ASP 34 H ASP 34 3.466 1.808 3.121
230 HA ASP 34 HA ASP 34 6.160 1.025 3.913
231 HB2 ASP 34 1HB ASP 34 5.821 3.288 2.959
232 HB3 ASP 34 2HB ASP 34 4.724 3.666 4.277
233 HA PRO 35 HA PRO 35 4.521 -0.133 7.935
234 HB2 PRO 35 2HB PRO 35 6.983 -0.848 8.927
235 HB3 PRO 35 1HB PRO 35 5.930 -1.924 8.001
236 HG2 PRO 35 2HG PRO 35 8.328 -0.393 7.120
237 HG3 PRO 35 1HG PRO 35 7.764 -1.993 6.610
238 HD2 PRO 35 2HD PRO 35 7.448 0.262 5.117
239 HD3 PRO 35 1HD PRO 35 6.344 -1.123 5.042
240 H ASN 36 H ASN 36 6.766 2.286 7.039
241 HA ASN 36 HA ASN 36 7.231 3.189 9.757
242 HB2 ASN 36 1HB ASN 36 8.893 3.305 7.763
243 HB3 ASN 36 2HB ASN 36 7.980 4.733 7.290
244 HD21 ASN 36 1HD2 ASN 36 9.678 4.995 10.983
245 HD22 ASN 36 2HD2 ASN 36 8.717 3.622 10.545
246 H SER 37 H SER 37 5.713 4.534 6.814
247 HA SER 37 HA SER 37 4.495 6.656 8.377
248 HB2 SER 37 1HB SER 37 3.655 7.408 6.124
249 HB3 SER 37 2HB SER 37 5.409 7.298 6.249
250 HG SER 37 HG SER 37 5.406 5.516 5.011
251 H GLN 38 H GLN 38 3.635 3.571 7.193
252 HA GLN 38 HA GLN 38 1.757 2.321 7.260
253 HB2 GLN 38 1HB GLN 38 0.624 4.606 8.880
254 HB3 GLN 38 2HB GLN 38 -0.173 3.057 8.641
255 HG2 GLN 38 1HG GLN 38 1.621 1.916 9.787
256 HG3 GLN 38 2HG GLN 38 2.510 3.429 9.952
257 HE21 GLN 38 1HE2 GLN 38 -0.980 3.458 12.042
258 HE22 GLN 38 2HE2 GLN 38 -0.966 3.102 10.348
259 H TYR 39 H TYR 39 2.316 4.347 5.200
260 HA TYR 39 HA TYR 39 -0.404 4.596 4.093
261 HB2 TYR 39 2HB TYR 39 2.058 6.275 3.608
262 HB3 TYR 39 1HB TYR 39 0.645 6.334 2.565
263 HD1 TYR 39 1HD TYR 39 -1.623 6.791 3.773
264 HD2 TYR 39 2HD TYR 39 2.184 7.737 5.411
265 HE1 TYR 39 1HE TYR 39 -2.678 8.436 5.253
266 HE2 TYR 39 2HE TYR 39 1.139 9.392 6.898
267 HH TYR 39 HH TYR 39 -2.287 9.610 7.286
268 H TYR 40 H TYR 40 -0.461 4.451 1.692
269 HA TYR 40 HA TYR 40 1.243 2.254 0.791
270 HB2 TYR 40 2HB TYR 40 -1.413 3.305 -0.179
271 HB3 TYR 40 1HB TYR 40 -0.463 2.142 -1.102
272 HD1 TYR 40 1HD TYR 40 -2.324 2.673 2.034
273 HD2 TYR 40 2HD TYR 40 -0.355 -0.150 -0.465
274 HE1 TYR 40 1HE TYR 40 -3.272 0.835 3.367
275 HE2 TYR 40 2HE TYR 40 -1.295 -1.989 0.860
276 HH TYR 40 HH TYR 40 -2.315 -2.506 2.816
277 H TYR 41 H TYR 41 2.427 2.359 -1.037
278 HA TYR 41 HA TYR 41 2.867 5.047 -2.138
279 HB2 TYR 41 2HB TYR 41 4.733 4.269 -0.755
280 HB3 TYR 41 1HB TYR 41 4.814 2.772 -1.672
281 HD1 TYR 41 1HD TYR 41 6.397 2.601 -3.318
282 HD2 TYR 41 2HD TYR 41 4.980 6.463 -2.237
283 HE1 TYR 41 1HE TYR 41 8.018 3.614 -4.853
284 HE2 TYR 41 2HE TYR 41 6.595 7.495 -3.772
285 HH TYR 41 HH TYR 41 8.777 6.913 -4.810
286 H ASN 42 H ASN 42 2.235 5.196 -4.175
287 HA ASN 42 HA ASN 42 1.853 2.850 -5.817
288 HB2 ASN 42 1HB ASN 42 0.407 4.958 -5.907
289 HB3 ASN 42 2HB ASN 42 1.756 5.734 -6.721
290 HD21 ASN 42 1HD2 ASN 42 -0.794 4.179 -9.066
291 HD22 ASN 42 2HD2 ASN 42 -0.988 5.072 -7.601
292 H SER 43 H SER 43 3.516 1.892 -6.822
293 HA SER 43 HA SER 43 6.069 3.184 -6.885
294 HB2 SER 43 1HB SER 43 5.593 0.676 -6.537
295 HB3 SER 43 2HB SER 43 5.434 0.598 -8.292
296 HG SER 43 HG SER 43 7.535 0.352 -8.205
297 H LEU 44 H LEU 44 3.428 3.159 -9.007
298 HA LEU 44 HA LEU 44 5.024 3.518 -11.403
299 HB2 LEU 44 1HB LEU 44 2.904 2.297 -11.521
300 HB3 LEU 44 2HB LEU 44 2.046 3.719 -10.956
301 HG LEU 44 HG LEU 44 2.766 4.914 -13.018
302 HD11 LEU 44 1HD1 LEU 44 4.766 3.580 -13.495
303 HD12 LEU 44 2HD1 LEU 44 3.670 3.634 -14.877
304 HD13 LEU 44 3HD1 LEU 44 3.743 2.191 -13.869
305 HD21 LEU 44 1HD2 LEU 44 1.246 2.350 -13.465
306 HD22 LEU 44 2HD2 LEU 44 1.207 3.771 -14.507
307 HD23 LEU 44 3HD2 LEU 44 0.568 3.864 -12.865
308 H THR 45 H THR 45 2.776 5.460 -9.447
309 HA THR 45 HA THR 45 3.529 7.841 -10.956
310 HB THR 45 HB THR 45 1.655 8.913 -9.644
311 HG1 THR 45 1HG THR 45 0.306 7.575 -8.473
312 HG21 THR 45 1HG2 THR 45 0.961 6.474 -11.286
313 HG22 THR 45 2HG2 THR 45 1.305 8.082 -11.919
314 HG23 THR 45 3HG2 THR 45 -0.127 7.814 -10.928
315 H GLN 46 H GLN 46 4.265 6.276 -8.074
316 HA GLN 46 HA GLN 46 5.636 6.745 -6.349
317 HB2 GLN 46 1HB GLN 46 6.335 9.189 -7.981
318 HB3 GLN 46 2HB GLN 46 7.227 8.617 -6.575
319 HG2 GLN 46 1HG GLN 46 7.794 6.570 -7.712
320 HG3 GLN 46 2HG GLN 46 6.795 7.026 -9.091
321 HE21 GLN 46 1HE2 GLN 46 9.803 8.049 -10.521
322 HE22 GLN 46 2HE2 GLN 46 8.570 6.836 -10.458
323 H GLN 47 H GLN 47 2.926 7.517 -6.248
324 HA GLN 47 HA GLN 47 2.995 9.902 -4.529
325 HB2 GLN 47 1HB GLN 47 0.626 10.105 -4.896
326 HB3 GLN 47 2HB GLN 47 1.391 9.887 -6.461
327 HG2 GLN 47 1HG GLN 47 0.788 7.493 -6.379
328 HG3 GLN 47 2HG GLN 47 -0.059 7.792 -4.862
329 HE21 GLN 47 1HE2 GLN 47 -2.858 9.266 -6.342
330 HE22 GLN 47 2HE2 GLN 47 -1.947 9.033 -4.886
331 H TYR 48 H TYR 48 1.222 9.725 -2.762
332 HA TYR 48 HA TYR 48 1.466 7.089 -1.490
333 HB2 TYR 48 2HB TYR 48 1.637 9.851 -0.350
334 HB3 TYR 48 1HB TYR 48 1.065 8.526 0.661
335 HD1 TYR 48 1HD TYR 48 2.568 7.032 1.646
336 HD2 TYR 48 2HD TYR 48 3.936 9.638 -1.427
337 HE1 TYR 48 1HE TYR 48 4.883 6.355 2.115
338 HE2 TYR 48 2HE TYR 48 6.260 8.971 -0.960
339 HH TYR 48 HH TYR 48 7.062 6.286 0.910
340 H LEU 49 H LEU 49 -0.277 6.259 -0.411
341 HA LEU 49 HA LEU 49 -2.868 7.611 -0.718
342 HB2 LEU 49 1HB LEU 49 -2.274 4.763 -1.559
343 HB3 LEU 49 2HB LEU 49 -3.859 5.505 -1.536
344 HG LEU 49 HG LEU 49 -1.702 6.739 -3.196
345 HD11 LEU 49 1HD1 LEU 49 -3.433 4.433 -4.066
346 HD12 LEU 49 2HD1 LEU 49 -1.691 4.365 -3.798
347 HD13 LEU 49 3HD1 LEU 49 -2.345 5.370 -5.093
348 HD21 LEU 49 1HD2 LEU 49 -3.802 7.923 -2.849
349 HD22 LEU 49 2HD2 LEU 49 -4.693 6.529 -3.464
350 HD23 LEU 49 3HD2 LEU 49 -3.615 7.430 -4.534
351 H TYR 50 H TYR 50 -4.570 6.377 0.562
352 HA TYR 50 HA TYR 50 -3.503 4.502 2.500
353 HB2 TYR 50 2HB TYR 50 -4.322 5.634 4.451
354 HB3 TYR 50 1HB TYR 50 -3.271 6.742 3.586
355 HD1 TYR 50 1HD TYR 50 -4.312 8.626 2.268
356 HD2 TYR 50 2HD TYR 50 -6.572 6.157 4.901
357 HE1 TYR 50 1HE TYR 50 -6.080 10.338 2.353
358 HE2 TYR 50 2HE TYR 50 -8.347 7.850 4.981
359 HH TYR 50 HH TYR 50 -8.448 10.517 2.835
360 H TRP 51 H TRP 51 -5.047 3.127 3.356
361 HA TRP 51 HA TRP 51 -7.391 2.888 1.684
362 HB2 TRP 51 2HB TRP 51 -6.193 0.850 2.182
363 HB3 TRP 51 1HB TRP 51 -6.331 1.146 3.916
364 HD1 TRP 51 1HD TRP 51 -8.403 0.126 5.105
365 HE1 TRP 51 1HE TRP 51 -10.566 -1.017 4.321
366 HE3 TRP 51 3HE TRP 51 -7.966 0.898 0.071
367 HZ2 TRP 51 2HZ TRP 51 -11.911 -1.525 1.906
368 HZ3 TRP 51 3HZ TRP 51 -9.735 0.051 -1.407
369 HH2 TRP 51 2HH TRP 51 -11.670 -1.135 -0.507
370 H ASP 52 H ASP 52 -9.144 3.998 2.138
371 HA ASP 52 HA ASP 52 -9.844 4.463 4.940
372 HB2 ASP 52 1HB ASP 52 -9.900 6.412 3.406
373 HB3 ASP 52 2HB ASP 52 -11.124 5.599 2.436
374 H GLY 53 H GLY 53 -11.292 3.232 5.916
375 HA2 GLY 53 1HA GLY 53 -12.330 0.963 4.487
376 HA3 GLY 53 2HA GLY 53 -12.502 1.286 6.203
377 H GLU 54 H GLU 54 -13.594 4.043 5.276
378 HA GLU 54 HA GLU 54 -16.350 3.131 5.272
379 HB2 GLU 54 1HB GLU 54 -15.644 4.961 6.779
380 HB3 GLU 54 2HB GLU 54 -15.230 5.939 5.379
381 HG2 GLU 54 1HG GLU 54 -17.550 5.949 4.674
382 HG3 GLU 54 2HG GLU 54 -17.983 4.917 6.035
383 H LYS 55 H LYS 55 -14.109 4.931 3.231
384 HA LYS 55 HA LYS 55 -16.148 5.275 1.186
385 HB2 LYS 55 1HB LYS 55 -13.236 6.071 1.097
386 HB3 LYS 55 2HB LYS 55 -14.503 6.595 -0.006
387 HG2 LYS 55 1HG LYS 55 -14.267 7.259 2.924
388 HG3 LYS 55 2HG LYS 55 -14.033 8.355 1.562
389 HD2 LYS 55 1HD LYS 55 -16.631 6.945 2.175
390 HD3 LYS 55 2HD LYS 55 -16.242 8.581 2.708
391 HE2 LYS 55 1HE LYS 55 -16.219 7.717 -0.173
392 HE3 LYS 55 2HE LYS 55 -17.624 8.427 0.618
393 HZ1 LYS 55 1HZ LYS 55 -16.348 10.420 1.052
394 HZ2 LYS 55 2HZ LYS 55 -16.321 10.068 -0.608
395 HZ3 LYS 55 3HZ LYS 55 -14.966 9.736 0.351
396 H GLU 56 H GLU 56 -13.834 2.981 2.002
397 HA GLU 56 HA GLU 56 -13.251 0.988 1.099
398 HB2 GLU 56 1HB GLU 56 -15.580 1.615 -0.716
399 HB3 GLU 56 2HB GLU 56 -14.729 0.078 -0.717
400 HG2 GLU 56 1HG GLU 56 -15.430 -0.416 1.486
401 HG3 GLU 56 2HG GLU 56 -16.039 1.220 1.731
402 H THR 57 H THR 57 -11.697 3.141 0.278
403 HA THR 57 HA THR 57 -10.736 2.203 -2.277
404 HB THR 57 HB THR 57 -12.487 3.770 -2.984
405 HG1 THR 57 1HG THR 57 -10.076 3.755 -3.844
406 HG21 THR 57 1HG2 THR 57 -12.574 5.203 -1.030
407 HG22 THR 57 2HG2 THR 57 -12.289 6.171 -2.479
408 HG23 THR 57 3HG2 THR 57 -10.956 5.814 -1.378
409 H TYR 58 H TYR 58 -8.623 2.912 -2.762
410 HA TYR 58 HA TYR 58 -7.093 3.935 -0.519
411 HB2 TYR 58 2HB TYR 58 -6.109 3.356 -3.327
412 HB3 TYR 58 1HB TYR 58 -5.131 3.564 -1.883
413 HD1 TYR 58 1HD TYR 58 -7.295 1.273 -3.737
414 HD2 TYR 58 2HD TYR 58 -4.948 1.797 -0.224
415 HE1 TYR 58 1HE TYR 58 -7.363 -1.151 -3.338
416 HE2 TYR 58 2HE TYR 58 -5.010 -0.629 0.183
417 HH TYR 58 HH TYR 58 -6.407 -2.558 -0.397
418 H VAL 59 H VAL 59 -7.179 6.028 -0.155
419 HA VAL 59 HA VAL 59 -7.680 7.836 -2.409
420 HB VAL 59 HB VAL 59 -8.176 9.437 -0.340
421 HG11 VAL 59 1HG1 VAL 59 -9.759 8.856 -2.102
422 HG12 VAL 59 2HG1 VAL 59 -10.536 8.820 -0.521
423 HG13 VAL 59 3HG1 VAL 59 -10.081 7.312 -1.314
424 HG21 VAL 59 1HG2 VAL 59 -8.764 6.692 0.759
425 HG22 VAL 59 2HG2 VAL 59 -9.245 8.222 1.492
426 HG23 VAL 59 3HG2 VAL 59 -7.537 7.805 1.363
427 HA PRO 60 HA PRO 60 -3.601 9.343 -2.370
428 HB2 PRO 60 2HB PRO 60 -4.789 11.989 -2.993
429 HB3 PRO 60 1HB PRO 60 -3.598 11.044 -3.892
430 HG2 PRO 60 2HG PRO 60 -6.121 11.232 -4.736
431 HG3 PRO 60 1HG PRO 60 -5.208 9.720 -4.897
432 HD2 PRO 60 2HD PRO 60 -7.320 10.461 -2.916
433 HD3 PRO 60 1HD PRO 60 -7.023 8.908 -3.724
434 H ALA 61 H ALA 61 -2.434 9.750 -0.687
435 HA ALA 61 HA ALA 61 -3.433 11.322 1.527
436 HB1 ALA 61 1HB ALA 61 -1.379 10.642 2.663
437 HB2 ALA 61 2HB ALA 61 -0.780 9.920 1.169
438 HB3 ALA 61 3HB ALA 61 -2.205 9.251 1.966
439 H ALA 62 H ALA 62 -3.529 13.180 -0.069
440 HA ALA 62 HA ALA 62 -1.054 14.741 0.198
441 HB1 ALA 62 1HB ALA 62 -1.413 15.721 -2.019
442 HB2 ALA 62 2HB ALA 62 -2.795 14.653 -2.265
443 HB3 ALA 62 3HB ALA 62 -1.172 13.976 -2.117
444 H GLU 63 H GLU 63 -4.340 15.223 -1.064
445 HA GLU 63 HA GLU 63 -4.582 17.685 0.474
446 HB2 GLU 63 1HB GLU 63 -6.507 16.402 -1.480
447 HB3 GLU 63 2HB GLU 63 -6.659 18.012 -0.792
448 HG2 GLU 63 1HG GLU 63 -4.398 17.110 -2.558
449 HG3 GLU 63 2HG GLU 63 -5.815 18.006 -3.107
450 H SER 64 H SER 64 -4.377 15.785 2.242
451 HA SER 64 HA SER 64 -6.956 14.641 2.917
452 HB2 SER 64 1HB SER 64 -4.313 14.424 4.381
453 HB3 SER 64 2HB SER 64 -5.746 13.429 4.642
454 HG SER 64 HG SER 64 -4.418 12.261 3.326
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -18.918 -12.107 -2.999
2 H2 GLY 1 2H GLY 1 -18.245 -11.376 -4.369
3 H3 GLY 1 3H GLY 1 -19.759 -12.128 -4.471
4 HA2 GLY 1 1HA GLY 1 -19.110 -9.690 -2.904
5 HA3 GLY 1 2HA GLY 1 -20.028 -9.739 -4.401
6 H ALA 2 H ALA 2 -21.568 -8.581 -2.920
7 HA ALA 2 HA ALA 2 -23.493 -10.528 -1.943
8 HB1 ALA 2 1HB ALA 2 -23.796 -9.443 0.215
9 HB2 ALA 2 2HB ALA 2 -22.492 -8.314 -0.152
10 HB3 ALA 2 3HB ALA 2 -22.142 -10.031 0.043
11 H MET 3 H MET 3 -23.231 -7.047 -1.328
12 HA MET 3 HA MET 3 -25.470 -6.620 -3.192
13 HB2 MET 3 1HB MET 3 -26.445 -4.997 -1.637
14 HB3 MET 3 2HB MET 3 -26.338 -6.590 -0.904
15 HG2 MET 3 1HG MET 3 -24.367 -5.911 0.336
16 HG3 MET 3 2HG MET 3 -24.414 -4.327 -0.434
17 HE1 MET 3 1HE MET 3 -27.461 -6.468 0.789
18 HE2 MET 3 2HE MET 3 -27.707 -5.850 2.422
19 HE3 MET 3 3HE MET 3 -26.260 -6.784 2.042
20 H GLY 4 H GLY 4 -22.337 -5.870 -2.429
21 HA2 GLY 4 1HA GLY 4 -21.807 -4.059 -4.361
22 HA3 GLY 4 2HA GLY 4 -22.404 -3.051 -3.050
23 H THR 5 H THR 5 -20.246 -5.868 -3.304
24 HA THR 5 HA THR 5 -18.287 -4.367 -1.695
25 HB THR 5 HB THR 5 -18.478 -7.364 -1.771
26 HG1 THR 5 1HG THR 5 -19.473 -5.916 0.421
27 HG21 THR 5 1HG2 THR 5 -17.253 -5.445 0.204
28 HG22 THR 5 2HG2 THR 5 -16.376 -6.426 -0.971
29 HG23 THR 5 3HG2 THR 5 -17.257 -7.202 0.346
30 H LYS 6 H LYS 6 -16.520 -3.884 -2.777
31 HA LYS 6 HA LYS 6 -15.692 -5.625 -5.009
32 HB2 LYS 6 1HB LYS 6 -15.346 -2.628 -4.730
33 HB3 LYS 6 2HB LYS 6 -14.660 -3.600 -6.025
34 HG2 LYS 6 1HG LYS 6 -17.597 -3.211 -5.470
35 HG3 LYS 6 2HG LYS 6 -16.661 -2.441 -6.753
36 HD2 LYS 6 1HD LYS 6 -17.071 -5.415 -6.448
37 HD3 LYS 6 2HD LYS 6 -17.976 -4.378 -7.552
38 HE2 LYS 6 1HE LYS 6 -15.947 -3.834 -8.755
39 HE3 LYS 6 2HE LYS 6 -14.983 -4.761 -7.603
40 HZ1 LYS 6 1HZ LYS 6 -15.417 -5.998 -9.654
41 HZ2 LYS 6 2HZ LYS 6 -17.090 -5.900 -9.370
42 HZ3 LYS 6 3HZ LYS 6 -16.096 -6.771 -8.304
43 H TYR 7 H TYR 7 -14.327 -3.071 -2.956
44 HA TYR 7 HA TYR 7 -12.003 -4.812 -2.495
45 HB2 TYR 7 2HB TYR 7 -12.244 -1.826 -2.713
46 HB3 TYR 7 1HB TYR 7 -10.906 -2.552 -1.829
47 HD1 TYR 7 1HD TYR 7 -12.611 -2.764 -5.146
48 HD2 TYR 7 2HD TYR 7 -8.961 -3.051 -2.976
49 HE1 TYR 7 1HE TYR 7 -11.385 -3.062 -7.256
50 HE2 TYR 7 2HE TYR 7 -7.725 -3.350 -5.079
51 HH TYR 7 HH TYR 7 -8.142 -4.097 -7.373
52 H ALA 8 H ALA 8 -11.534 -5.397 -0.489
53 HA ALA 8 HA ALA 8 -13.037 -4.131 1.699
54 HB1 ALA 8 1HB ALA 8 -13.570 -6.513 1.363
55 HB2 ALA 8 2HB ALA 8 -12.812 -6.215 2.928
56 HB3 ALA 8 3HB ALA 8 -11.870 -6.916 1.611
57 H VAL 9 H VAL 9 -11.742 -4.524 3.871
58 HA VAL 9 HA VAL 9 -9.455 -2.960 3.826
59 HB VAL 9 HB VAL 9 -8.968 -3.857 6.106
60 HG11 VAL 9 1HG1 VAL 9 -11.023 -2.997 7.136
61 HG12 VAL 9 2HG1 VAL 9 -11.832 -3.075 5.570
62 HG13 VAL 9 3HG1 VAL 9 -10.476 -1.973 5.809
63 HG21 VAL 9 1HG2 VAL 9 -10.582 -5.401 7.127
64 HG22 VAL 9 2HG2 VAL 9 -9.707 -6.154 5.792
65 HG23 VAL 9 3HG2 VAL 9 -11.367 -5.604 5.559
66 HA PRO 10 HA PRO 10 -6.476 -5.914 2.364
67 HB2 PRO 10 2HB PRO 10 -4.417 -4.204 2.107
68 HB3 PRO 10 1HB PRO 10 -5.787 -4.209 0.992
69 HG2 PRO 10 2HG PRO 10 -5.110 -2.294 3.144
70 HG3 PRO 10 1HG PRO 10 -6.022 -2.034 1.649
71 HD2 PRO 10 2HD PRO 10 -7.069 -2.419 4.255
72 HD3 PRO 10 1HD PRO 10 -7.978 -2.346 2.735
73 H ASP 11 H ASP 11 -5.266 -7.297 3.399
74 HA ASP 11 HA ASP 11 -4.216 -6.618 6.038
75 HB2 ASP 11 1HB ASP 11 -5.567 -8.726 5.650
76 HB3 ASP 11 2HB ASP 11 -4.226 -9.324 4.685
77 H THR 12 H THR 12 -2.117 -6.314 6.399
78 HA THR 12 HA THR 12 -0.359 -6.215 4.119
79 HB THR 12 HB THR 12 1.264 -5.269 5.766
80 HG1 THR 12 1HG THR 12 0.781 -5.220 7.862
81 HG21 THR 12 1HG2 THR 12 -1.508 -4.092 5.548
82 HG22 THR 12 2HG2 THR 12 -0.093 -3.736 4.549
83 HG23 THR 12 3HG2 THR 12 -0.138 -3.214 6.233
84 H SER 13 H SER 13 -1.229 -8.616 6.227
85 HA SER 13 HA SER 13 1.276 -9.876 6.715
86 HB2 SER 13 1HB SER 13 -1.445 -11.199 6.581
87 HB3 SER 13 2HB SER 13 -0.023 -11.763 7.460
88 HG SER 13 HG SER 13 -1.717 -9.560 8.014
89 H THR 14 H THR 14 -0.877 -9.806 3.985
90 HA THR 14 HA THR 14 0.355 -12.184 2.819
91 HB THR 14 HB THR 14 -2.094 -11.990 2.675
92 HG1 THR 14 1HG THR 14 -0.657 -11.855 0.216
93 HG21 THR 14 1HG2 THR 14 -1.558 -9.589 0.924
94 HG22 THR 14 2HG2 THR 14 -2.285 -9.555 2.530
95 HG23 THR 14 3HG2 THR 14 -3.129 -10.340 1.195
96 H TYR 15 H TYR 15 1.476 -9.263 3.091
97 HA TYR 15 HA TYR 15 1.992 -8.646 0.306
98 HB2 TYR 15 2HB TYR 15 2.879 -7.316 2.868
99 HB3 TYR 15 1HB TYR 15 3.371 -6.768 1.270
100 HD1 TYR 15 1HD TYR 15 0.258 -7.829 0.546
101 HD2 TYR 15 2HD TYR 15 2.138 -4.831 2.904
102 HE1 TYR 15 1HE TYR 15 -1.777 -6.457 0.410
103 HE2 TYR 15 2HE TYR 15 0.112 -3.451 2.775
104 HH TYR 15 HH TYR 15 -2.853 -4.665 1.354
105 H GLN 16 H GLN 16 4.263 -8.166 -0.337
106 HA GLN 16 HA GLN 16 6.083 -10.230 0.716
107 HB2 GLN 16 1HB GLN 16 5.933 -9.049 -2.067
108 HB3 GLN 16 2HB GLN 16 7.114 -10.236 -1.532
109 HG2 GLN 16 1HG GLN 16 5.363 -11.861 -1.161
110 HG3 GLN 16 2HG GLN 16 4.141 -10.675 -1.611
111 HE21 GLN 16 1HE2 GLN 16 4.590 -11.019 -5.051
112 HE22 GLN 16 2HE2 GLN 16 3.910 -10.093 -3.756
113 H TYR 17 H TYR 17 7.616 -9.318 1.939
114 HA TYR 17 HA TYR 17 8.151 -6.526 1.870
115 HB2 TYR 17 2HB TYR 17 8.378 -7.916 3.917
116 HB3 TYR 17 1HB TYR 17 9.768 -8.716 3.192
117 HD1 TYR 17 1HD TYR 17 11.918 -7.807 3.447
118 HD2 TYR 17 2HD TYR 17 8.523 -5.376 4.259
119 HE1 TYR 17 1HE TYR 17 13.392 -6.054 4.350
120 HE2 TYR 17 2HE TYR 17 9.986 -3.622 5.158
121 HH TYR 17 HH TYR 17 13.296 -3.539 4.686
122 H ASP 18 H ASP 18 9.355 -5.477 0.462
123 HA ASP 18 HA ASP 18 11.439 -6.935 -1.003
124 HB2 ASP 18 1HB ASP 18 9.738 -5.529 -2.262
125 HB3 ASP 18 2HB ASP 18 10.462 -4.111 -1.509
126 H GLU 19 H GLU 19 13.485 -6.716 -0.384
127 HA GLU 19 HA GLU 19 14.072 -4.944 1.828
128 HB2 GLU 19 1HB GLU 19 16.149 -6.162 1.994
129 HB3 GLU 19 2HB GLU 19 14.812 -7.277 1.786
130 HG2 GLU 19 1HG GLU 19 15.365 -7.502 -0.588
131 HG3 GLU 19 2HG GLU 19 16.746 -6.431 -0.347
132 H SER 20 H SER 20 14.425 -4.913 -1.543
133 HA SER 20 HA SER 20 16.699 -3.113 -1.536
134 HB2 SER 20 1HB SER 20 16.430 -4.861 -3.287
135 HB3 SER 20 2HB SER 20 14.959 -4.056 -3.833
136 HG SER 20 HG SER 20 17.016 -3.553 -4.968
137 H SER 21 H SER 21 13.260 -3.063 -1.611
138 HA SER 21 HA SER 21 13.242 -0.200 -2.276
139 HB2 SER 21 1HB SER 21 11.688 -1.643 -3.543
140 HB3 SER 21 2HB SER 21 10.937 -2.159 -2.035
141 HG SER 21 HG SER 21 11.028 0.534 -2.957
142 H GLY 22 H GLY 22 12.575 -2.490 0.291
143 HA2 GLY 22 1HA GLY 22 12.678 -2.027 2.578
144 HA3 GLY 22 2HA GLY 22 12.598 -0.310 2.215
145 H TYR 23 H TYR 23 10.241 -2.052 0.549
146 HA TYR 23 HA TYR 23 8.227 -1.294 2.560
147 HB2 TYR 23 2HB TYR 23 8.004 -1.003 -0.446
148 HB3 TYR 23 1HB TYR 23 6.747 -0.609 0.721
149 HD1 TYR 23 1HD TYR 23 7.474 1.140 2.566
150 HD2 TYR 23 2HD TYR 23 9.368 0.685 -1.211
151 HE1 TYR 23 1HE TYR 23 8.372 3.419 2.749
152 HE2 TYR 23 2HE TYR 23 10.274 2.963 -1.040
153 HH TYR 23 HH TYR 23 10.099 4.796 1.898
154 H TYR 24 H TYR 24 6.193 -2.442 2.401
155 HA TYR 24 HA TYR 24 6.531 -5.220 1.600
156 HB2 TYR 24 2HB TYR 24 4.351 -3.736 3.067
157 HB3 TYR 24 1HB TYR 24 4.160 -5.408 2.546
158 HD1 TYR 24 1HD TYR 24 5.939 -3.157 4.836
159 HD2 TYR 24 2HD TYR 24 5.338 -7.194 3.639
160 HE1 TYR 24 1HE TYR 24 7.048 -3.926 6.891
161 HE2 TYR 24 2HE TYR 24 6.444 -7.975 5.688
162 HH TYR 24 HH TYR 24 7.163 -5.865 8.306
163 H TYR 25 H TYR 25 6.170 -5.743 -0.445
164 HA TYR 25 HA TYR 25 4.688 -4.050 -2.210
165 HB2 TYR 25 2HB TYR 25 6.625 -5.233 -3.044
166 HB3 TYR 25 1HB TYR 25 5.915 -6.785 -2.609
167 HD1 TYR 25 1HD TYR 25 5.411 -3.831 -4.824
168 HD2 TYR 25 2HD TYR 25 4.599 -7.955 -4.147
169 HE1 TYR 25 1HE TYR 25 4.401 -3.995 -7.059
170 HE2 TYR 25 2HE TYR 25 3.586 -8.130 -6.380
171 HH TYR 25 HH TYR 25 3.927 -5.701 -8.747
172 H ASP 26 H ASP 26 2.612 -4.052 -2.548
173 HA ASP 26 HA ASP 26 0.957 -6.341 -1.808
174 HB2 ASP 26 1HB ASP 26 0.076 -4.225 -1.075
175 HB3 ASP 26 2HB ASP 26 0.274 -3.526 -2.672
176 HA PRO 27 HA PRO 27 0.975 -7.359 -6.171
177 HB2 PRO 27 2HB PRO 27 -0.110 -9.905 -5.574
178 HB3 PRO 27 1HB PRO 27 1.582 -9.510 -5.860
179 HG2 PRO 27 2HG PRO 27 0.486 -10.367 -3.438
180 HG3 PRO 27 1HG PRO 27 2.073 -9.618 -3.657
181 HD2 PRO 27 2HD PRO 27 -0.476 -8.411 -2.713
182 HD3 PRO 27 1HD PRO 27 1.199 -8.038 -2.249
183 H THR 28 H THR 28 -1.614 -7.209 -3.954
184 HA THR 28 HA THR 28 -3.752 -8.052 -5.608
185 HB THR 28 HB THR 28 -4.107 -5.988 -3.465
186 HG1 THR 28 1HG THR 28 -2.943 -7.268 -2.226
187 HG21 THR 28 1HG2 THR 28 -6.119 -7.289 -2.994
188 HG22 THR 28 2HG2 THR 28 -5.656 -8.466 -4.223
189 HG23 THR 28 3HG2 THR 28 -6.061 -6.816 -4.692
190 H THR 29 H THR 29 -2.614 -4.815 -4.671
191 HA THR 29 HA THR 29 -4.129 -3.673 -6.908
192 HB THR 29 HB THR 29 -2.723 -1.940 -4.944
193 HG1 THR 29 1HG THR 29 -3.602 -3.456 -3.550
194 HG21 THR 29 1HG2 THR 29 -5.483 -1.877 -6.172
195 HG22 THR 29 2HG2 THR 29 -4.078 -0.976 -6.740
196 HG23 THR 29 3HG2 THR 29 -4.773 -0.617 -5.161
197 H GLY 30 H GLY 30 -0.897 -3.930 -5.516
198 HA2 GLY 30 1HA GLY 30 1.025 -4.045 -6.985
199 HA3 GLY 30 2HA GLY 30 0.193 -2.960 -8.094
200 H LEU 31 H LEU 31 0.593 -2.732 -4.599
201 HA LEU 31 HA LEU 31 1.858 -0.092 -5.015
202 HB2 LEU 31 1HB LEU 31 -0.118 -0.869 -2.871
203 HB3 LEU 31 2HB LEU 31 0.675 0.686 -3.008
204 HG LEU 31 HG LEU 31 -1.302 -0.470 -4.976
205 HD11 LEU 31 1HD1 LEU 31 -2.746 1.354 -4.219
206 HD12 LEU 31 2HD1 LEU 31 -1.532 1.822 -3.029
207 HD13 LEU 31 3HD1 LEU 31 -2.341 0.259 -2.898
208 HD21 LEU 31 1HD2 LEU 31 0.107 2.194 -4.955
209 HD22 LEU 31 2HD2 LEU 31 -1.175 1.718 -6.067
210 HD23 LEU 31 3HD2 LEU 31 0.377 0.882 -6.101
211 H TYR 32 H TYR 32 2.910 0.686 -2.925
212 HA TYR 32 HA TYR 32 4.232 -1.582 -1.592
213 HB2 TYR 32 2HB TYR 32 5.222 1.151 -2.350
214 HB3 TYR 32 1HB TYR 32 6.000 0.247 -1.059
215 HD1 TYR 32 1HD TYR 32 5.798 0.773 -4.586
216 HD2 TYR 32 2HD TYR 32 6.905 -2.080 -1.631
217 HE1 TYR 32 1HE TYR 32 7.168 -0.413 -6.250
218 HE2 TYR 32 2HE TYR 32 8.277 -3.271 -3.283
219 HH TYR 32 HH TYR 32 9.144 -1.940 -6.253
220 H TYR 33 H TYR 33 3.790 -1.822 0.509
221 HA TYR 33 HA TYR 33 2.470 0.354 1.933
222 HB2 TYR 33 2HB TYR 33 1.395 -1.758 2.184
223 HB3 TYR 33 1HB TYR 33 2.904 -2.568 2.571
224 HD1 TYR 33 1HD TYR 33 3.791 -2.541 4.790
225 HD2 TYR 33 2HD TYR 33 0.277 -0.327 3.864
226 HE1 TYR 33 1HE TYR 33 3.348 -2.260 7.186
227 HE2 TYR 33 2HE TYR 33 -0.179 -0.039 6.267
228 HH TYR 33 HH TYR 33 0.409 -1.331 8.413
229 H ASP 34 H ASP 34 3.664 1.765 2.992
230 HA ASP 34 HA ASP 34 6.381 1.229 3.776
231 HB2 ASP 34 1HB ASP 34 5.548 3.502 3.081
232 HB3 ASP 34 2HB ASP 34 4.619 3.566 4.569
233 HA PRO 35 HA PRO 35 4.889 -0.735 7.541
234 HB2 PRO 35 2HB PRO 35 7.380 -1.355 8.517
235 HB3 PRO 35 1HB PRO 35 6.495 -2.343 7.349
236 HG2 PRO 35 2HG PRO 35 8.710 -0.398 6.897
237 HG3 PRO 35 1HG PRO 35 8.393 -1.945 6.093
238 HD2 PRO 35 2HD PRO 35 7.828 0.461 4.963
239 HD3 PRO 35 1HD PRO 35 6.895 -1.009 4.623
240 H ASN 36 H ASN 36 7.007 1.979 7.278
241 HA ASN 36 HA ASN 36 7.145 2.339 10.159
242 HB2 ASN 36 1HB ASN 36 9.084 2.748 8.528
243 HB3 ASN 36 2HB ASN 36 8.243 4.232 8.096
244 HD21 ASN 36 1HD2 ASN 36 10.185 3.873 11.637
245 HD22 ASN 36 2HD2 ASN 36 9.870 2.498 10.632
246 H SER 37 H SER 37 5.928 4.093 7.315
247 HA SER 37 HA SER 37 4.539 5.975 9.076
248 HB2 SER 37 1HB SER 37 4.886 5.912 6.072
249 HB3 SER 37 2HB SER 37 4.022 7.176 6.949
250 HG SER 37 HG SER 37 6.785 6.510 7.097
251 H GLN 38 H GLN 38 3.941 3.150 7.305
252 HA GLN 38 HA GLN 38 2.141 1.872 6.922
253 HB2 GLN 38 1HB GLN 38 0.843 3.662 8.974
254 HB3 GLN 38 2HB GLN 38 0.150 2.162 8.369
255 HG2 GLN 38 1HG GLN 38 2.194 0.982 9.185
256 HG3 GLN 38 2HG GLN 38 2.692 2.491 9.944
257 HE21 GLN 38 1HE2 GLN 38 -0.171 0.147 11.589
258 HE22 GLN 38 2HE2 GLN 38 0.498 -0.173 10.027
259 H TYR 39 H TYR 39 2.625 4.022 5.170
260 HA TYR 39 HA TYR 39 -0.107 4.481 4.158
261 HB2 TYR 39 2HB TYR 39 2.415 6.083 3.672
262 HB3 TYR 39 1HB TYR 39 0.935 6.292 2.747
263 HD1 TYR 39 1HD TYR 39 -1.191 6.870 4.029
264 HD2 TYR 39 2HD TYR 39 2.703 7.235 5.691
265 HE1 TYR 39 1HE TYR 39 -2.070 8.404 5.728
266 HE2 TYR 39 2HE TYR 39 1.839 8.774 7.399
267 HH TYR 39 HH TYR 39 0.011 10.232 7.818
268 H TYR 40 H TYR 40 -0.303 4.366 1.791
269 HA TYR 40 HA TYR 40 1.372 2.203 0.750
270 HB2 TYR 40 2HB TYR 40 -1.318 3.286 -0.088
271 HB3 TYR 40 1HB TYR 40 -0.414 2.138 -1.070
272 HD1 TYR 40 1HD TYR 40 -0.233 -0.172 -0.437
273 HD2 TYR 40 2HD TYR 40 -2.221 2.606 2.101
274 HE1 TYR 40 1HE TYR 40 -1.160 -2.035 0.870
275 HE2 TYR 40 2HE TYR 40 -3.154 0.747 3.415
276 HH TYR 40 HH TYR 40 -2.230 -2.605 2.753
277 H TYR 41 H TYR 41 2.615 2.408 -1.011
278 HA TYR 41 HA TYR 41 2.880 5.104 -2.139
279 HB2 TYR 41 2HB TYR 41 4.879 4.464 -0.954
280 HB3 TYR 41 1HB TYR 41 4.917 2.902 -1.761
281 HD1 TYR 41 1HD TYR 41 4.824 6.515 -2.741
282 HD2 TYR 41 2HD TYR 41 6.497 2.662 -3.403
283 HE1 TYR 41 1HE TYR 41 6.269 7.452 -4.493
284 HE2 TYR 41 2HE TYR 41 7.948 3.585 -5.155
285 HH TYR 41 HH TYR 41 8.074 5.466 -6.638
286 H ASN 42 H ASN 42 2.100 5.277 -4.094
287 HA ASN 42 HA ASN 42 1.679 2.993 -5.803
288 HB2 ASN 42 1HB ASN 42 0.131 4.958 -5.727
289 HB3 ASN 42 2HB ASN 42 1.403 5.943 -6.437
290 HD21 ASN 42 1HD2 ASN 42 -1.062 4.530 -8.949
291 HD22 ASN 42 2HD2 ASN 42 -1.282 5.237 -7.380
292 H SER 43 H SER 43 3.309 2.120 -6.930
293 HA SER 43 HA SER 43 5.812 3.502 -7.141
294 HB2 SER 43 1HB SER 43 5.602 1.048 -6.679
295 HB3 SER 43 2HB SER 43 5.054 0.832 -8.342
296 HG SER 43 HG SER 43 7.165 2.061 -8.782
297 H LEU 44 H LEU 44 3.061 3.302 -9.111
298 HA LEU 44 HA LEU 44 4.526 3.713 -11.595
299 HB2 LEU 44 1HB LEU 44 2.587 2.227 -11.605
300 HB3 LEU 44 2HB LEU 44 1.566 3.526 -11.023
301 HG LEU 44 HG LEU 44 1.934 4.750 -13.128
302 HD11 LEU 44 1HD1 LEU 44 3.456 2.279 -13.950
303 HD12 LEU 44 2HD1 LEU 44 4.130 3.892 -13.712
304 HD13 LEU 44 3HD1 LEU 44 2.988 3.599 -15.021
305 HD21 LEU 44 1HD2 LEU 44 0.948 1.921 -13.456
306 HD22 LEU 44 2HD2 LEU 44 0.623 3.252 -14.566
307 HD23 LEU 44 3HD2 LEU 44 -0.001 3.306 -12.917
308 H THR 45 H THR 45 2.295 5.442 -9.457
309 HA THR 45 HA THR 45 2.572 7.844 -11.100
310 HB THR 45 HB THR 45 0.818 7.571 -8.667
311 HG1 THR 45 1HG THR 45 -0.812 6.843 -10.111
312 HG21 THR 45 1HG2 THR 45 1.116 9.819 -9.610
313 HG22 THR 45 2HG2 THR 45 -0.540 9.245 -9.820
314 HG23 THR 45 3HG2 THR 45 0.580 9.230 -11.183
315 H GLN 46 H GLN 46 3.854 6.434 -8.335
316 HA GLN 46 HA GLN 46 5.339 7.066 -6.755
317 HB2 GLN 46 1HB GLN 46 5.664 9.555 -8.440
318 HB3 GLN 46 2HB GLN 46 6.770 9.000 -7.190
319 HG2 GLN 46 1HG GLN 46 7.323 7.052 -8.477
320 HG3 GLN 46 2HG GLN 46 6.102 7.454 -9.682
321 HE21 GLN 46 1HE2 GLN 46 8.228 10.490 -10.454
322 HE22 GLN 46 2HE2 GLN 46 6.729 10.313 -9.603
323 H GLN 47 H GLN 47 2.728 7.472 -6.125
324 HA GLN 47 HA GLN 47 2.764 9.995 -4.602
325 HB2 GLN 47 1HB GLN 47 0.456 10.293 -4.973
326 HB3 GLN 47 2HB GLN 47 1.093 9.812 -6.536
327 HG2 GLN 47 1HG GLN 47 0.373 7.471 -6.001
328 HG3 GLN 47 2HG GLN 47 -0.445 8.122 -4.583
329 HE21 GLN 47 1HE2 GLN 47 -3.090 9.587 -6.402
330 HE22 GLN 47 2HE2 GLN 47 -2.186 9.614 -4.919
331 H TYR 48 H TYR 48 1.300 9.877 -2.640
332 HA TYR 48 HA TYR 48 1.567 7.212 -1.426
333 HB2 TYR 48 2HB TYR 48 1.810 9.957 -0.267
334 HB3 TYR 48 1HB TYR 48 1.284 8.627 0.761
335 HD1 TYR 48 1HD TYR 48 2.871 7.443 1.889
336 HD2 TYR 48 2HD TYR 48 3.982 9.404 -1.717
337 HE1 TYR 48 1HE TYR 48 5.192 6.730 2.232
338 HE2 TYR 48 2HE TYR 48 6.318 8.703 -1.379
339 HH TYR 48 HH TYR 48 7.798 8.005 0.386
340 H LEU 49 H LEU 49 -0.089 6.332 -0.287
341 HA LEU 49 HA LEU 49 -2.729 7.587 -0.633
342 HB2 LEU 49 1HB LEU 49 -2.004 4.758 -1.414
343 HB3 LEU 49 2HB LEU 49 -3.610 5.453 -1.473
344 HG LEU 49 HG LEU 49 -1.395 6.706 -3.052
345 HD11 LEU 49 1HD1 LEU 49 -3.070 4.356 -3.921
346 HD12 LEU 49 2HD1 LEU 49 -1.327 4.347 -3.641
347 HD13 LEU 49 3HD1 LEU 49 -2.003 5.306 -4.958
348 HD21 LEU 49 1HD2 LEU 49 -4.381 6.497 -3.406
349 HD22 LEU 49 2HD2 LEU 49 -3.277 7.330 -4.502
350 HD23 LEU 49 3HD2 LEU 49 -3.489 7.913 -2.850
351 H TYR 50 H TYR 50 -4.409 6.439 0.613
352 HA TYR 50 HA TYR 50 -3.414 4.742 2.778
353 HB2 TYR 50 2HB TYR 50 -4.540 5.997 4.497
354 HB3 TYR 50 1HB TYR 50 -3.515 7.117 3.613
355 HD1 TYR 50 1HD TYR 50 -6.928 6.215 4.485
356 HD2 TYR 50 2HD TYR 50 -4.525 8.805 2.119
357 HE1 TYR 50 1HE TYR 50 -8.868 7.676 4.133
358 HE2 TYR 50 2HE TYR 50 -6.462 10.281 1.758
359 HH TYR 50 HH TYR 50 -9.308 10.052 3.574
360 H TRP 51 H TRP 51 -4.951 3.231 3.499
361 HA TRP 51 HA TRP 51 -7.148 2.789 1.701
362 HB2 TRP 51 2HB TRP 51 -6.058 0.816 2.573
363 HB3 TRP 51 1HB TRP 51 -6.340 1.339 4.234
364 HD1 TRP 51 1HD TRP 51 -8.483 0.446 5.357
365 HE1 TRP 51 1HE TRP 51 -10.628 -0.726 4.547
366 HE3 TRP 51 3HE TRP 51 -7.702 0.713 0.310
367 HZ2 TRP 51 2HZ TRP 51 -11.838 -1.427 2.096
368 HZ3 TRP 51 3HZ TRP 51 -9.406 -0.230 -1.197
369 HH2 TRP 51 2HH TRP 51 -11.427 -1.280 -0.318
370 H ASP 52 H ASP 52 -9.080 3.643 1.853
371 HA ASP 52 HA ASP 52 -9.981 4.654 4.461
372 HB2 ASP 52 1HB ASP 52 -9.895 6.251 2.519
373 HB3 ASP 52 2HB ASP 52 -11.125 5.269 1.729
374 H GLY 53 H GLY 53 -11.455 3.485 5.508
375 HA2 GLY 53 1HA GLY 53 -12.466 1.086 4.281
376 HA3 GLY 53 2HA GLY 53 -12.705 1.590 5.945
377 H GLU 54 H GLU 54 -13.626 4.237 4.436
378 HA GLU 54 HA GLU 54 -16.435 3.406 4.416
379 HB2 GLU 54 1HB GLU 54 -15.717 5.330 5.836
380 HB3 GLU 54 2HB GLU 54 -15.250 6.192 4.378
381 HG2 GLU 54 1HG GLU 54 -17.402 6.947 5.167
382 HG3 GLU 54 2HG GLU 54 -17.564 6.141 3.607
383 H LYS 55 H LYS 55 -14.031 5.122 2.473
384 HA LYS 55 HA LYS 55 -15.790 5.373 0.200
385 HB2 LYS 55 1HB LYS 55 -12.792 5.721 0.289
386 HB3 LYS 55 2HB LYS 55 -13.889 6.338 -0.934
387 HG2 LYS 55 1HG LYS 55 -14.815 7.918 0.584
388 HG3 LYS 55 2HG LYS 55 -13.965 7.185 1.946
389 HD2 LYS 55 1HD LYS 55 -11.813 7.760 0.796
390 HD3 LYS 55 2HD LYS 55 -12.760 8.675 -0.380
391 HE2 LYS 55 1HE LYS 55 -13.583 10.132 1.343
392 HE3 LYS 55 2HE LYS 55 -12.824 9.150 2.592
393 HZ1 LYS 55 1HZ LYS 55 -11.400 10.718 0.505
394 HZ2 LYS 55 2HZ LYS 55 -10.657 9.757 1.691
395 HZ3 LYS 55 3HZ LYS 55 -11.537 11.129 2.146
396 H GLU 56 H GLU 56 -13.725 3.015 1.485
397 HA GLU 56 HA GLU 56 -12.983 0.982 0.831
398 HB2 GLU 56 1HB GLU 56 -15.188 1.242 -1.221
399 HB3 GLU 56 2HB GLU 56 -14.349 -0.249 -0.811
400 HG2 GLU 56 1HG GLU 56 -15.229 -0.218 1.407
401 HG3 GLU 56 2HG GLU 56 -15.917 1.384 1.166
402 H THR 57 H THR 57 -11.372 2.906 0.005
403 HA THR 57 HA THR 57 -10.279 1.917 -2.464
404 HB THR 57 HB THR 57 -11.989 3.489 -3.310
405 HG1 THR 57 1HG THR 57 -9.736 3.288 -4.238
406 HG21 THR 57 1HG2 THR 57 -11.780 5.897 -2.880
407 HG22 THR 57 2HG2 THR 57 -10.470 5.580 -1.744
408 HG23 THR 57 3HG2 THR 57 -12.100 5.005 -1.392
409 H TYR 58 H TYR 58 -8.138 2.705 -2.847
410 HA TYR 58 HA TYR 58 -6.809 3.835 -0.526
411 HB2 TYR 58 2HB TYR 58 -5.641 3.196 -3.243
412 HB3 TYR 58 1HB TYR 58 -4.748 3.522 -1.767
413 HD1 TYR 58 1HD TYR 58 -6.565 1.027 -3.681
414 HD2 TYR 58 2HD TYR 58 -4.706 1.852 0.057
415 HE1 TYR 58 1HE TYR 58 -6.541 -1.376 -3.169
416 HE2 TYR 58 2HE TYR 58 -4.676 -0.552 0.578
417 HH TYR 58 HH TYR 58 -5.228 -2.934 -1.731
418 H VAL 59 H VAL 59 -6.949 5.944 -0.226
419 HA VAL 59 HA VAL 59 -7.385 7.689 -2.555
420 HB VAL 59 HB VAL 59 -7.696 8.833 0.140
421 HG11 VAL 59 1HG1 VAL 59 -8.286 10.086 -1.839
422 HG12 VAL 59 2HG1 VAL 59 -9.723 9.784 -0.864
423 HG13 VAL 59 3HG1 VAL 59 -9.430 8.832 -2.319
424 HG21 VAL 59 1HG2 VAL 59 -9.895 7.809 0.540
425 HG22 VAL 59 2HG2 VAL 59 -8.593 6.621 0.600
426 HG23 VAL 59 3HG2 VAL 59 -9.627 6.725 -0.825
427 HA PRO 60 HA PRO 60 -3.356 9.474 -2.155
428 HB2 PRO 60 2HB PRO 60 -4.738 12.032 -2.739
429 HB3 PRO 60 1HB PRO 60 -3.368 11.275 -3.555
430 HG2 PRO 60 2HG PRO 60 -5.804 11.276 -4.650
431 HG3 PRO 60 1HG PRO 60 -4.707 9.895 -4.829
432 HD2 PRO 60 2HD PRO 60 -7.105 10.201 -3.096
433 HD3 PRO 60 1HD PRO 60 -6.474 8.763 -3.917
434 H ALA 61 H ALA 61 -2.299 10.117 -0.436
435 HA ALA 61 HA ALA 61 -3.727 10.971 1.902
436 HB1 ALA 61 1HB ALA 61 -0.760 10.639 1.475
437 HB2 ALA 61 2HB ALA 61 -1.867 9.386 2.035
438 HB3 ALA 61 3HB ALA 61 -1.576 10.813 3.030
439 H ALA 62 H ALA 62 -2.700 12.667 -0.696
440 HA ALA 62 HA ALA 62 -2.716 14.885 -1.160
441 HB1 ALA 62 1HB ALA 62 -3.186 15.340 1.779
442 HB2 ALA 62 2HB ALA 62 -4.443 15.099 0.565
443 HB3 ALA 62 3HB ALA 62 -3.400 16.520 0.484
444 H GLU 63 H GLU 63 -0.777 13.908 1.609
445 HA GLU 63 HA GLU 63 1.013 16.093 1.553
446 HB2 GLU 63 1HB GLU 63 2.489 14.630 2.917
447 HB3 GLU 63 2HB GLU 63 0.841 14.733 3.525
448 HG2 GLU 63 1HG GLU 63 0.343 12.563 2.506
449 HG3 GLU 63 2HG GLU 63 2.008 12.462 1.929
450 H SER 64 H SER 64 0.815 13.201 -0.336
451 HA SER 64 HA SER 64 2.981 14.204 -1.998
452 HB2 SER 64 1HB SER 64 2.893 11.339 -1.001
453 HB3 SER 64 2HB SER 64 4.033 11.983 -2.181
454 HG SER 64 HG SER 64 4.078 13.532 -0.008