NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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629277 |
5oqs   |
34170 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 3.067 -0.418 -1.031
3 HB2 LEU 1 2HB LEU 1 0.543 -1.331 -1.825
4 HB3 LEU 1 3HB LEU 1 1.060 -0.214 -3.087
5 HG LEU 1 HG LEU 1 3.284 -1.670 -2.910
6 HD11 LEU 1 1HD1 LEU 1 3.076 -3.500 -1.678
7 HD12 LEU 1 2HD1 LEU 1 1.817 -4.062 -2.778
8 HD13 LEU 1 3HD1 LEU 1 1.383 -3.131 -1.345
9 HD21 LEU 1 1HD2 LEU 1 1.248 -1.361 -4.713
10 HD22 LEU 1 2HD2 LEU 1 1.250 -3.104 -4.440
11 HD23 LEU 1 3HD2 LEU 1 2.720 -2.294 -4.983
12 H GLU 2 H GLU 2 4.217 1.086 -2.097
13 HA GLU 2 HA GLU 2 3.675 3.787 -1.890
14 HB2 GLU 2 2HB GLU 2 5.539 2.149 -3.525
15 HB3 GLU 2 3HB GLU 2 5.300 3.819 -4.021
16 HG2 GLU 2 2HG GLU 2 6.936 4.276 -2.582
17 HG3 GLU 2 3HG GLU 2 5.693 4.098 -1.345
18 H TYR 3 H TYR 3 2.814 5.345 -3.225
19 HA TYR 3 HA TYR 3 0.843 4.406 -5.121
20 HB2 TYR 3 2HB TYR 3 1.511 7.091 -3.941
21 HB3 TYR 3 3HB TYR 3 0.393 6.946 -5.292
22 HD1 TYR 3 HD1 TYR 3 -1.455 5.016 -4.891
23 HD2 TYR 3 HD2 TYR 3 0.576 7.177 -1.840
24 HE1 TYR 3 HE1 TYR 3 -3.287 4.519 -3.328
25 HE2 TYR 3 HE2 TYR 3 -1.250 6.684 -0.268
26 HH TYR 3 HH TYR 3 -3.232 5.732 0.012
27 H LYS 4 H LYS 4 0.782 4.830 -7.305
28 HA LYS 4 HA LYS 4 3.346 5.266 -8.564
29 HB2 LYS 4 2HB LYS 4 0.612 4.688 -9.717
30 HB3 LYS 4 3HB LYS 4 2.085 4.811 -10.670
31 HG2 LYS 4 2HG LYS 4 1.492 2.775 -8.533
32 HG3 LYS 4 3HG LYS 4 1.557 2.497 -10.275
33 HD2 LYS 4 2HD LYS 4 3.986 3.512 -9.973
34 HD3 LYS 4 3HD LYS 4 3.765 2.913 -8.327
35 HE2 LYS 4 2HE LYS 4 3.209 1.167 -10.700
36 HE3 LYS 4 3HE LYS 4 4.848 1.360 -10.079
37 HZ1 LYS 4 1HZ LYS 4 3.308 0.846 -7.870
38 HZ2 LYS 4 2HZ LYS 4 4.347 -0.240 -8.646
39 HZ3 LYS 4 3HZ LYS 4 2.704 -0.207 -9.050
40 H GLY 5 H GLY 5 4.054 7.287 -8.805
41 HA2 GLY 5 2HA GLY 5 2.182 9.267 -9.927
42 HA3 GLY 5 3HA GLY 5 3.192 9.688 -8.552
43 H GLU 6 H GLU 6 3.185 11.038 -11.049
44 HA GLU 6 HA GLU 6 5.815 10.298 -12.144
45 HB2 GLU 6 2HB GLU 6 3.855 12.150 -13.477
46 HB3 GLU 6 3HB GLU 6 5.201 11.279 -14.198
47 HG2 GLU 6 2HG GLU 6 3.612 9.882 -14.912
48 HG3 GLU 6 3HG GLU 6 3.710 9.222 -13.280
49 H CYS 7 H CYS 7 7.093 12.212 -12.974
50 HA CYS 7 HA CYS 7 6.845 14.478 -11.105
51 HB2 CYS 7 2HB CYS 7 9.048 14.377 -10.556
52 HB3 CYS 7 3HB CYS 7 8.858 12.686 -11.009
53 H PHE 8 H PHE 8 8.161 16.420 -11.918
54 HA PHE 8 HA PHE 8 7.592 16.762 -14.786
55 HB2 PHE 8 2HB PHE 8 7.500 18.687 -12.474
56 HB3 PHE 8 3HB PHE 8 7.615 19.259 -14.135
57 HD1 PHE 8 HD1 PHE 8 5.617 16.734 -12.241
58 HD2 PHE 8 HD2 PHE 8 5.638 19.903 -15.082
59 HE1 PHE 8 HE1 PHE 8 3.175 16.540 -12.470
60 HE2 PHE 8 HE2 PHE 8 3.197 19.715 -15.315
61 HZ PHE 8 HZ PHE 8 1.961 18.033 -14.008
62 H THR 9 H THR 9 8.971 18.697 -15.684
63 HA THR 9 HA THR 9 11.568 17.868 -15.999
64 HB THR 9 HB THR 9 11.505 20.747 -16.138
65 HG1 THR 9 HG1 THR 9 9.279 20.622 -16.278
66 HG21 THR 9 1HG2 THR 9 12.504 18.627 -17.589
67 HG22 THR 9 2HG2 THR 9 12.540 20.320 -18.080
68 HG23 THR 9 3HG2 THR 9 11.239 19.268 -18.637
69 H LYS 10 H LYS 10 13.430 19.677 -15.498
70 HA LYS 10 HA LYS 10 14.211 19.246 -12.876
71 HB2 LYS 10 2HB LYS 10 15.267 20.541 -15.139
72 HB3 LYS 10 3HB LYS 10 15.304 21.733 -13.847
73 HG2 LYS 10 2HG LYS 10 17.289 20.783 -13.401
74 HG3 LYS 10 3HG LYS 10 16.296 19.607 -12.537
75 HD2 LYS 10 2HD LYS 10 17.204 18.037 -13.832
76 HD3 LYS 10 3HD LYS 10 16.298 18.728 -15.179
77 HE2 LYS 10 2HE LYS 10 18.837 20.066 -14.476
78 HE3 LYS 10 3HE LYS 10 18.972 18.451 -15.170
79 HZ1 LYS 10 1HZ LYS 10 17.576 20.775 -16.381
80 HZ2 LYS 10 2HZ LYS 10 17.590 19.214 -17.033
81 HZ3 LYS 10 3HZ LYS 10 19.032 20.091 -16.906
82 H ASP 11 H ASP 11 11.669 21.095 -13.838
83 HA ASP 11 HA ASP 11 11.893 23.370 -12.163
84 HB2 ASP 11 2HB ASP 11 9.849 22.149 -13.865
85 HB3 ASP 11 3HB ASP 11 9.180 22.933 -12.436
86 H ASN 12 H ASN 12 11.689 20.189 -11.345
87 HA ASN 12 HA ASN 12 11.227 19.057 -9.427
88 HB2 ASN 12 2HB ASN 12 11.803 21.813 -8.561
89 HB3 ASN 12 3HB ASN 12 10.881 20.859 -7.402
90 HD21 ASN 12 1HD2 ASN 12 11.893 18.369 -7.737
91 HD22 ASN 12 2HD2 ASN 12 13.565 18.341 -7.302
92 H THR 13 H THR 13 9.242 18.207 -9.920
93 HA THR 13 HA THR 13 7.020 19.153 -8.393
94 HB THR 13 HB THR 13 6.081 18.994 -11.148
95 HG1 THR 13 HG1 THR 13 8.211 20.077 -11.335
96 HG21 THR 13 1HG2 THR 13 5.251 21.372 -10.279
97 HG22 THR 13 2HG2 THR 13 5.679 20.659 -8.723
98 HG23 THR 13 3HG2 THR 13 4.494 19.866 -9.761
99 H CYS 14 H CYS 14 5.329 17.642 -8.267
100 HA CYS 14 HA CYS 14 5.529 15.199 -9.839
101 HB2 CYS 14 2HB CYS 14 6.112 15.388 -6.918
102 HB3 CYS 14 3HB CYS 14 5.247 13.972 -7.503
103 H LYS 15 H LYS 15 3.612 14.079 -10.009
104 HA LYS 15 HA LYS 15 1.307 15.133 -8.521
105 HB2 LYS 15 2HB LYS 15 1.166 16.190 -10.663
106 HB3 LYS 15 3HB LYS 15 1.510 14.681 -11.498
107 HG2 LYS 15 2HG LYS 15 -0.826 15.205 -11.706
108 HG3 LYS 15 3HG LYS 15 -0.635 13.776 -10.687
109 HD2 LYS 15 2HD LYS 15 -1.995 14.849 -9.263
110 HD3 LYS 15 3HD LYS 15 -0.568 15.802 -8.851
111 HE2 LYS 15 2HE LYS 15 -2.380 17.304 -9.308
112 HE3 LYS 15 3HE LYS 15 -1.213 17.421 -10.624
113 HZ1 LYS 15 1HZ LYS 15 -2.763 16.826 -12.071
114 HZ2 LYS 15 2HZ LYS 15 -3.915 16.911 -10.835
115 HZ3 LYS 15 3HZ LYS 15 -3.159 15.439 -11.187
116 H TYR 16 H TYR 16 0.613 13.491 -7.320
117 HA TYR 16 HA TYR 16 0.634 10.786 -8.478
118 HB2 TYR 16 2HB TYR 16 0.621 9.938 -6.201
119 HB3 TYR 16 3HB TYR 16 1.943 11.084 -6.396
120 HD1 TYR 16 HD1 TYR 16 -1.024 10.261 -4.551
121 HD2 TYR 16 HD2 TYR 16 1.633 13.441 -5.516
122 HE1 TYR 16 HE1 TYR 16 -1.851 11.532 -2.614
123 HE2 TYR 16 HE2 TYR 16 0.814 14.720 -3.581
124 HH TYR 16 HH TYR 16 -1.287 13.309 -1.201
125 H LYS 17 H LYS 17 -1.176 9.384 -7.995
126 HA LYS 17 HA LYS 17 -3.692 10.881 -7.656
127 HB2 LYS 17 2HB LYS 17 -3.441 10.027 -9.930
128 HB3 LYS 17 3HB LYS 17 -3.163 8.405 -9.309
129 HG2 LYS 17 2HG LYS 17 -5.429 8.349 -8.413
130 HG3 LYS 17 3HG LYS 17 -5.711 9.985 -9.014
131 HD2 LYS 17 2HD LYS 17 -4.787 7.898 -10.929
132 HD3 LYS 17 3HD LYS 17 -6.469 7.869 -10.394
133 HE2 LYS 17 2HE LYS 17 -5.302 10.450 -11.315
134 HE3 LYS 17 3HE LYS 17 -5.726 9.237 -12.522
135 HZ1 LYS 17 1HZ LYS 17 -7.903 9.564 -12.202
136 HZ2 LYS 17 2HZ LYS 17 -7.436 11.041 -11.525
137 HZ3 LYS 17 3HZ LYS 17 -7.758 9.717 -10.523
138 H ILE 18 H ILE 18 -5.170 10.151 -6.212
139 HA ILE 18 HA ILE 18 -4.588 7.615 -4.834
140 HB ILE 18 HB ILE 18 -5.580 10.132 -3.492
141 HG12 ILE 18 2HG1 ILE 18 -3.224 10.331 -4.176
142 HG13 ILE 18 3HG1 ILE 18 -3.377 10.228 -2.425
143 HG21 ILE 18 1HG2 ILE 18 -5.010 7.352 -2.530
144 HG22 ILE 18 2HG2 ILE 18 -4.938 8.729 -1.432
145 HG23 ILE 18 3HG2 ILE 18 -6.442 8.348 -2.269
146 HD11 ILE 18 1HD1 ILE 18 -1.840 8.638 -2.504
147 HD12 ILE 18 2HD1 ILE 18 -3.061 7.601 -3.242
148 HD13 ILE 18 3HD1 ILE 18 -1.953 8.520 -4.259
149 H ASP 19 H ASP 19 -6.363 6.443 -4.082
150 HA ASP 19 HA ASP 19 -8.632 6.375 -5.634
151 HB2 ASP 19 2HB ASP 19 -7.891 4.561 -4.107
152 HB3 ASP 19 3HB ASP 19 -8.453 5.517 -2.739
153 H GLY 20 H GLY 20 -10.233 7.775 -5.898
154 HA2 GLY 20 2HA GLY 20 -12.165 8.876 -4.947
155 HA3 GLY 20 3HA GLY 20 -11.186 9.272 -3.543
156 H LYS 21 H LYS 21 -9.343 10.770 -3.931
157 HA LYS 21 HA LYS 21 -9.945 12.677 -6.093
158 HB2 LYS 21 2HB LYS 21 -9.436 13.200 -3.177
159 HB3 LYS 21 3HB LYS 21 -9.105 14.434 -4.386
160 HG2 LYS 21 2HG LYS 21 -11.774 13.107 -3.963
161 HG3 LYS 21 3HG LYS 21 -11.311 14.689 -3.332
162 HD2 LYS 21 2HD LYS 21 -11.452 13.910 -6.245
163 HD3 LYS 21 3HD LYS 21 -12.621 14.910 -5.380
164 HE2 LYS 21 2HE LYS 21 -10.318 16.224 -4.831
165 HE3 LYS 21 3HE LYS 21 -9.956 15.583 -6.432
166 HZ1 LYS 21 1HZ LYS 21 -12.200 17.357 -5.659
167 HZ2 LYS 21 2HZ LYS 21 -12.135 16.556 -7.148
168 HZ3 LYS 21 3HZ LYS 21 -10.943 17.686 -6.744
169 H THR 22 H THR 22 -8.178 13.839 -6.940
170 HA THR 22 HA THR 22 -5.601 12.502 -6.516
171 HB THR 22 HB THR 22 -6.527 14.253 -8.801
172 HG1 THR 22 HG1 THR 22 -7.255 11.910 -8.459
173 HG21 THR 22 1HG2 THR 22 -3.948 12.717 -8.460
174 HG22 THR 22 2HG2 THR 22 -4.117 14.471 -8.407
175 HG23 THR 22 3HG2 THR 22 -4.444 13.599 -9.903
176 H TYR 23 H TYR 23 -3.765 13.604 -5.965
177 HA TYR 23 HA TYR 23 -3.998 16.500 -5.521
178 HB2 TYR 23 2HB TYR 23 -2.511 14.790 -3.558
179 HB3 TYR 23 3HB TYR 23 -3.197 16.395 -3.336
180 HD1 TYR 23 HD1 TYR 23 -4.050 12.806 -3.657
181 HD2 TYR 23 HD2 TYR 23 -5.399 16.677 -2.517
182 HE1 TYR 23 HE1 TYR 23 -6.049 11.802 -2.636
183 HE2 TYR 23 HE2 TYR 23 -7.401 15.683 -1.491
184 HH TYR 23 HH TYR 23 -7.733 12.287 -1.020
185 H LEU 24 H LEU 24 -1.789 17.480 -5.066
186 HA LEU 24 HA LEU 24 0.157 16.266 -6.908
187 HB2 LEU 24 2HB LEU 24 -0.934 18.783 -6.916
188 HB3 LEU 24 3HB LEU 24 0.612 19.040 -6.110
189 HG LEU 24 HG LEU 24 0.890 17.462 -8.533
190 HD11 LEU 24 1HD1 LEU 24 0.143 20.297 -9.064
191 HD12 LEU 24 2HD1 LEU 24 -1.126 19.080 -8.939
192 HD13 LEU 24 3HD1 LEU 24 0.144 18.907 -10.150
193 HD21 LEU 24 1HD2 LEU 24 2.842 18.569 -8.651
194 HD22 LEU 24 2HD2 LEU 24 2.472 19.022 -6.987
195 HD23 LEU 24 3HD2 LEU 24 2.099 20.131 -8.307
196 H ALA 25 H ALA 25 2.375 16.262 -6.371
197 HA ALA 25 HA ALA 25 2.982 16.721 -3.527
198 HB1 ALA 25 1HB ALA 25 4.585 14.675 -3.902
199 HB2 ALA 25 2HB ALA 25 2.890 14.432 -3.478
200 HB3 ALA 25 3HB ALA 25 3.412 14.264 -5.154
201 H LYS 26 H LYS 26 5.149 17.266 -3.047
202 HA LYS 26 HA LYS 26 6.602 18.379 -5.348
203 HB2 LYS 26 2HB LYS 26 6.062 20.107 -3.816
204 HB3 LYS 26 3HB LYS 26 6.537 19.132 -2.431
205 HG2 LYS 26 2HG LYS 26 8.162 20.888 -2.909
206 HG3 LYS 26 3HG LYS 26 8.866 19.280 -3.095
207 HD2 LYS 26 2HD LYS 26 9.391 19.697 -5.218
208 HD3 LYS 26 3HD LYS 26 7.729 20.165 -5.584
209 HE2 LYS 26 2HE LYS 26 8.762 22.144 -6.028
210 HE3 LYS 26 3HE LYS 26 8.471 22.367 -4.304
211 HZ1 LYS 26 1HZ LYS 26 10.828 22.756 -5.356
212 HZ2 LYS 26 2HZ LYS 26 10.973 21.087 -5.121
213 HZ3 LYS 26 3HZ LYS 26 10.660 22.102 -3.804
214 H CYS 27 H CYS 27 8.753 17.940 -5.679
215 HA CYS 27 HA CYS 27 9.875 15.766 -4.038
216 HB2 CYS 27 2HB CYS 27 10.050 16.383 -6.968
217 HB3 CYS 27 3HB CYS 27 11.336 15.466 -6.189
218 HA PRO 28 HA PRO 28 13.310 18.235 -2.876
219 HB2 PRO 28 2HB PRO 28 15.346 16.439 -2.931
220 HB3 PRO 28 3HB PRO 28 14.083 16.422 -1.694
221 HG2 PRO 28 2HG PRO 28 14.336 14.752 -4.165
222 HG3 PRO 28 3HG PRO 28 13.862 14.263 -2.528
223 HD2 PRO 28 2HD PRO 28 12.057 14.687 -4.502
224 HD3 PRO 28 3HD PRO 28 11.699 15.015 -2.794
225 H SER 29 H SER 29 15.202 19.282 -3.618
226 HA SER 29 HA SER 29 15.423 19.357 -6.506
227 HB2 SER 29 2HB SER 29 17.337 21.030 -5.121
228 HB3 SER 29 3HB SER 29 16.005 21.499 -6.177
229 HG SER 29 HG SER 29 16.088 21.273 -3.396
230 H ALA 30 H ALA 30 16.710 17.402 -4.269
231 HA ALA 30 HA ALA 30 19.464 17.400 -4.661
232 HB1 ALA 30 1HB ALA 30 18.663 14.709 -4.410
233 HB2 ALA 30 2HB ALA 30 19.253 15.792 -3.148
234 HB3 ALA 30 3HB ALA 30 17.523 15.674 -3.471
235 H ALA 31 H ALA 31 20.761 16.822 -6.288
236 HA ALA 31 HA ALA 31 19.812 16.364 -8.873
237 HB1 ALA 31 1HB ALA 31 22.491 16.059 -7.578
238 HB2 ALA 31 2HB ALA 31 22.244 15.547 -9.248
239 HB3 ALA 31 3HB ALA 31 21.958 17.225 -8.789
240 H ASN 32 H ASN 32 20.234 14.193 -6.253
241 HA ASN 32 HA ASN 32 20.442 11.820 -7.889
242 HB2 ASN 32 2HB ASN 32 21.175 12.379 -5.321
243 HB3 ASN 32 3HB ASN 32 19.667 11.507 -5.062
244 HD21 ASN 32 1HD2 ASN 32 22.783 11.325 -6.699
245 HD22 ASN 32 2HD2 ASN 32 22.913 9.603 -6.646
246 H THR 33 H THR 33 17.948 13.689 -6.358
247 HA THR 33 HA THR 33 15.955 11.688 -7.208
248 HB THR 33 HB THR 33 14.643 13.355 -5.421
249 HG1 THR 33 HG1 THR 33 16.134 13.118 -3.554
250 HG21 THR 33 1HG2 THR 33 15.687 10.587 -5.432
251 HG22 THR 33 2HG2 THR 33 14.046 11.180 -5.172
252 HG23 THR 33 3HG2 THR 33 15.226 11.244 -3.862
253 H LYS 34 H LYS 34 17.241 14.142 -8.529
254 HA LYS 34 HA LYS 34 14.956 15.891 -8.917
255 HB2 LYS 34 2HB LYS 34 17.836 15.939 -9.640
256 HB3 LYS 34 3HB LYS 34 16.737 16.796 -10.713
257 HG2 LYS 34 2HG LYS 34 16.355 17.329 -7.849
258 HG3 LYS 34 3HG LYS 34 17.890 17.878 -8.527
259 HD2 LYS 34 2HD LYS 34 15.487 18.470 -10.133
260 HD3 LYS 34 3HD LYS 34 15.614 19.325 -8.594
261 HE2 LYS 34 2HE LYS 34 17.770 19.241 -10.702
262 HE3 LYS 34 3HE LYS 34 16.614 20.557 -10.502
263 HZ1 LYS 34 1HZ LYS 34 18.847 19.770 -8.757
264 HZ2 LYS 34 2HZ LYS 34 17.515 20.571 -8.090
265 HZ3 LYS 34 3HZ LYS 34 18.417 21.307 -9.318
266 H CYS 35 H CYS 35 14.657 16.573 -11.352
267 HA CYS 35 HA CYS 35 14.454 14.118 -12.969
268 HB2 CYS 35 2HB CYS 35 12.419 16.339 -12.696
269 HB3 CYS 35 3HB CYS 35 12.323 15.046 -13.887
270 H GLU 36 H GLU 36 15.446 14.240 -14.867
271 HA GLU 36 HA GLU 36 16.423 16.814 -15.802
272 HB2 GLU 36 2HB GLU 36 17.798 15.550 -17.331
273 HB3 GLU 36 3HB GLU 36 17.921 14.837 -15.729
274 HG2 GLU 36 2HG GLU 36 16.051 13.252 -16.561
275 HG3 GLU 36 3HG GLU 36 16.554 13.783 -18.164
276 H LYS 37 H LYS 37 13.873 14.631 -16.452
277 HA LYS 37 HA LYS 37 13.029 16.287 -18.708
278 HB2 LYS 37 2HB LYS 37 14.255 14.036 -19.355
279 HB3 LYS 37 3HB LYS 37 12.690 13.329 -18.972
280 HG2 LYS 37 2HG LYS 37 11.647 14.886 -20.597
281 HG3 LYS 37 3HG LYS 37 13.263 15.440 -21.040
282 HD2 LYS 37 2HD LYS 37 13.279 12.610 -21.135
283 HD3 LYS 37 3HD LYS 37 11.831 13.160 -21.981
284 HE2 LYS 37 2HE LYS 37 13.408 13.170 -23.668
285 HE3 LYS 37 3HE LYS 37 13.453 14.843 -23.115
286 HZ1 LYS 37 1HZ LYS 37 15.677 14.033 -23.369
287 HZ2 LYS 37 2HZ LYS 37 15.363 12.688 -22.394
288 HZ3 LYS 37 3HZ LYS 37 15.373 14.238 -21.717
289 H ASP 38 H ASP 38 10.957 16.839 -18.531
290 HA ASP 38 HA ASP 38 9.367 16.173 -16.355
291 HB2 ASP 38 2HB ASP 38 9.131 18.116 -18.039
292 HB3 ASP 38 3HB ASP 38 8.191 16.981 -19.005
293 H GLY 39 H GLY 39 7.797 14.676 -15.956
294 HA2 GLY 39 2HA GLY 39 6.232 12.997 -16.558
295 HA3 GLY 39 3HA GLY 39 7.067 12.806 -18.092
296 H ASN 40 H ASN 40 9.374 12.984 -15.730
297 HA ASN 40 HA ASN 40 10.179 10.307 -16.020
298 HB2 ASN 40 2HB ASN 40 11.228 12.656 -14.866
299 HB3 ASN 40 3HB ASN 40 11.208 11.450 -13.583
300 HD21 ASN 40 1HD2 ASN 40 13.204 12.756 -15.641
301 HD22 ASN 40 2HD2 ASN 40 14.193 11.408 -16.078
302 H LYS 41 H LYS 41 10.751 9.100 -13.782
303 HA LYS 41 HA LYS 41 8.205 8.248 -12.772
304 HB2 LYS 41 2HB LYS 41 10.857 7.198 -12.901
305 HB3 LYS 41 3HB LYS 41 10.326 7.152 -11.225
306 HG2 LYS 41 2HG LYS 41 8.923 5.927 -13.590
307 HG3 LYS 41 3HG LYS 41 9.787 5.073 -12.309
308 HD2 LYS 41 2HD LYS 41 8.074 6.426 -10.790
309 HD3 LYS 41 3HD LYS 41 7.116 6.371 -12.272
310 HE2 LYS 41 2HE LYS 41 8.218 4.047 -10.704
311 HE3 LYS 41 3HE LYS 41 6.525 4.476 -10.943
312 HZ1 LYS 41 1HZ LYS 41 6.603 3.029 -12.617
313 HZ2 LYS 41 2HZ LYS 41 8.293 2.989 -12.649
314 HZ3 LYS 41 3HZ LYS 41 7.461 4.211 -13.471
315 H CYS 42 H CYS 42 7.511 8.281 -10.598
316 HA CYS 42 HA CYS 42 8.961 9.904 -8.681
317 HB2 CYS 42 2HB CYS 42 7.542 11.463 -10.125
318 HB3 CYS 42 3HB CYS 42 6.138 10.700 -9.385
319 H THR 43 H THR 43 8.033 9.810 -6.533
320 HA THR 43 HA THR 43 5.962 7.796 -6.106
321 HB THR 43 HB THR 43 7.969 7.283 -4.156
322 HG1 THR 43 HG1 THR 43 9.545 7.984 -5.583
323 HG21 THR 43 1HG2 THR 43 6.639 5.768 -6.369
324 HG22 THR 43 2HG2 THR 43 6.497 5.554 -4.624
325 HG23 THR 43 3HG2 THR 43 7.958 5.029 -5.462
326 H TYR 44 H TYR 44 4.925 7.939 -4.096
327 HA TYR 44 HA TYR 44 5.728 10.152 -2.347
328 HB2 TYR 44 2HB TYR 44 4.080 11.304 -3.479
329 HB3 TYR 44 3HB TYR 44 3.144 9.852 -3.815
330 HD1 TYR 44 HD1 TYR 44 1.068 9.872 -2.829
331 HD2 TYR 44 HD2 TYR 44 4.338 11.595 -0.723
332 HE1 TYR 44 HE1 TYR 44 -0.428 10.395 -0.948
333 HE2 TYR 44 HE2 TYR 44 2.852 12.123 1.164
334 HH TYR 44 HH TYR 44 0.779 12.066 1.947
335 H ASP 45 H ASP 45 5.945 9.388 -0.363
336 HA ASP 45 HA ASP 45 4.479 6.982 0.425
337 HB2 ASP 45 2HB ASP 45 7.012 7.236 0.706
338 HB3 ASP 45 3HB ASP 45 6.641 8.353 2.017
339 H SER 46 H SER 46 2.713 7.125 1.625
340 HA SER 46 HA SER 46 1.961 9.650 2.819
341 HB2 SER 46 2HB SER 46 -0.189 8.808 2.935
342 HB3 SER 46 3HB SER 46 0.453 7.858 1.595
343 HG SER 46 HG SER 46 -0.617 6.911 3.742
344 H TYR 47 H TYR 47 3.386 6.686 3.820
345 HA TYR 47 HA TYR 47 2.627 6.705 6.543
346 HB2 TYR 47 2HB TYR 47 3.619 4.756 5.289
347 HB3 TYR 47 3HB TYR 47 5.179 5.564 5.395
348 HD1 TYR 47 HD1 TYR 47 2.665 3.641 7.182
349 HD2 TYR 47 HD2 TYR 47 6.277 5.852 7.588
350 HE1 TYR 47 HE1 TYR 47 3.033 2.624 9.392
351 HE2 TYR 47 HE2 TYR 47 6.655 4.841 9.798
352 HH TYR 47 HH TYR 47 4.683 3.661 11.642
353 H ASN 48 H ASN 48 5.421 8.037 4.823
354 HA ASN 48 HA ASN 48 6.217 9.420 7.295
355 HB2 ASN 48 2HB ASN 48 8.229 9.722 5.333
356 HB3 ASN 48 3HB ASN 48 8.291 8.747 6.798
357 HD21 ASN 48 1HD2 ASN 48 8.541 8.690 3.507
358 HD22 ASN 48 2HD2 ASN 48 8.300 7.001 3.236
359 H ARG 49 H ARG 49 4.467 9.948 4.598
360 HA ARG 49 HA ARG 49 3.766 11.787 3.457
361 HB2 ARG 49 2HB ARG 49 4.999 13.464 5.632
362 HB3 ARG 49 3HB ARG 49 3.578 13.812 4.657
363 HG2 ARG 49 2HG ARG 49 2.631 11.664 5.814
364 HG3 ARG 49 3HG ARG 49 3.865 12.029 7.022
365 HD2 ARG 49 2HD ARG 49 1.960 14.135 6.061
366 HD3 ARG 49 3HD ARG 49 1.501 13.006 7.335
367 HE ARG 49 HE ARG 49 3.976 14.136 7.995
368 HH11 ARG 49 1HH1 ARG 49 0.636 15.058 7.656
369 HH12 ARG 49 2HH1 ARG 49 0.733 16.330 8.829
370 HH21 ARG 49 1HH2 ARG 49 4.116 15.807 9.541
371 HH22 ARG 49 2HH2 ARG 49 2.713 16.756 9.899
372 H LYS 50 H LYS 50 6.530 10.753 3.086
373 HA LYS 50 HA LYS 50 7.862 13.193 2.129
374 HB2 LYS 50 2HB LYS 50 9.397 12.098 3.492
375 HB3 LYS 50 3HB LYS 50 8.867 10.501 2.977
376 HG2 LYS 50 2HG LYS 50 10.237 10.474 1.187
377 HG3 LYS 50 3HG LYS 50 10.058 12.204 0.885
378 HD2 LYS 50 2HD LYS 50 12.253 12.087 1.579
379 HD3 LYS 50 3HD LYS 50 11.427 12.435 3.100
380 HE2 LYS 50 2HE LYS 50 11.439 9.623 2.740
381 HE3 LYS 50 3HE LYS 50 13.071 10.209 2.425
382 HZ1 LYS 50 1HZ LYS 50 11.762 11.311 4.770
383 HZ2 LYS 50 2HZ LYS 50 13.363 10.808 4.559
384 HZ3 LYS 50 3HZ LYS 50 12.151 9.667 4.857
385 H VAL 51 H VAL 51 8.291 13.489 0.005
386 HA VAL 51 HA VAL 51 7.345 11.399 -1.844
387 HB VAL 51 HB VAL 51 7.544 14.373 -2.339
388 HG11 VAL 51 1HG1 VAL 51 6.458 13.961 -4.428
389 HG12 VAL 51 2HG1 VAL 51 7.861 12.896 -4.328
390 HG13 VAL 51 3HG1 VAL 51 6.244 12.254 -4.040
391 HG21 VAL 51 1HG2 VAL 51 5.245 14.544 -2.020
392 HG22 VAL 51 2HG2 VAL 51 4.997 12.803 -2.156
393 HG23 VAL 51 3HG2 VAL 51 5.755 13.476 -0.712
394 H LYS 52 H LYS 52 8.871 10.376 -2.939
395 HA LYS 52 HA LYS 52 11.414 11.772 -3.458
396 HB2 LYS 52 2HB LYS 52 11.655 9.850 -1.948
397 HB3 LYS 52 3HB LYS 52 10.910 8.805 -3.151
398 HG2 LYS 52 2HG LYS 52 12.838 9.586 -4.682
399 HG3 LYS 52 3HG LYS 52 13.611 10.085 -3.176
400 HD2 LYS 52 2HD LYS 52 13.663 7.883 -2.350
401 HD3 LYS 52 3HD LYS 52 12.501 7.317 -3.553
402 HE2 LYS 52 2HE LYS 52 14.451 8.216 -5.174
403 HE3 LYS 52 3HE LYS 52 15.415 7.749 -3.774
404 HZ1 LYS 52 1HZ LYS 52 15.016 5.994 -5.532
405 HZ2 LYS 52 2HZ LYS 52 13.420 5.926 -4.976
406 HZ3 LYS 52 3HZ LYS 52 14.696 5.544 -3.933
407 H CYS 53 H CYS 53 12.234 11.802 -5.501
408 HA CYS 53 HA CYS 53 10.560 10.587 -7.601
409 HB2 CYS 53 2HB CYS 53 11.994 13.219 -7.464
410 HB3 CYS 53 3HB CYS 53 11.679 12.470 -9.026
411 H ASP 54 H ASP 54 11.536 9.490 -9.264
412 HA ASP 54 HA ASP 54 14.460 9.293 -9.260
413 HB2 ASP 54 2HB ASP 54 14.009 7.371 -8.020
414 HB3 ASP 54 3HB ASP 54 12.509 7.045 -8.884
415 H PHE 55 H PHE 55 15.382 8.733 -11.245
416 HA PHE 55 HA PHE 55 13.532 8.564 -13.525
417 HB2 PHE 55 2HB PHE 55 15.151 10.019 -14.798
418 HB3 PHE 55 3HB PHE 55 14.265 10.841 -13.518
419 HD1 PHE 55 HD1 PHE 55 15.455 11.064 -11.244
420 HD2 PHE 55 HD2 PHE 55 17.458 10.154 -14.889
421 HE1 PHE 55 HE1 PHE 55 17.580 11.824 -10.263
422 HE2 PHE 55 HE2 PHE 55 19.585 10.912 -13.913
423 HZ PHE 55 HZ PHE 55 19.648 11.747 -11.597
424 H ARG 56 H ARG 56 14.281 7.415 -15.329
425 HA ARG 56 HA ARG 56 16.902 6.205 -15.296
426 HB2 ARG 56 2HB ARG 56 14.469 4.725 -14.487
427 HB3 ARG 56 3HB ARG 56 15.531 3.902 -15.622
428 HG2 ARG 56 2HG ARG 56 17.387 4.611 -13.907
429 HG3 ARG 56 3HG ARG 56 16.017 4.692 -12.797
430 HD2 ARG 56 2HD ARG 56 15.915 2.474 -12.641
431 HD3 ARG 56 3HD ARG 56 15.928 2.289 -14.394
432 HE ARG 56 HE ARG 56 18.526 2.878 -13.620
433 HH11 ARG 56 1HH1 ARG 56 16.182 0.355 -13.113
434 HH12 ARG 56 2HH1 ARG 56 17.371 -0.889 -12.912
435 HH21 ARG 56 1HH2 ARG 56 20.101 1.250 -13.356
436 HH22 ARG 56 2HH2 ARG 56 19.600 -0.378 -13.049
437 H HIS 57 H HIS 57 17.477 5.262 -17.282
438 HA HIS 57 HA HIS 57 17.540 5.203 -19.559
439 HB2 HIS 57 2HB HIS 57 16.057 3.367 -19.402
440 HB3 HIS 57 3HB HIS 57 14.693 4.400 -18.985
441 HD1 HIS 57 HD1 HIS 57 13.116 4.716 -20.849
442 HD2 HIS 57 HD2 HIS 57 16.987 4.062 -22.210
443 HE1 HIS 57 HE1 HIS 57 12.955 4.713 -23.359
Start of MODEL 2
1 H1 LEU 1 H LEU 1 3.232 -1.533 -1.069
2 HA LEU 1 HA LEU 1 2.675 -1.520 -3.362
3 HB2 LEU 1 2HB LEU 1 -0.162 -1.132 -2.422
4 HB3 LEU 1 3HB LEU 1 0.365 -1.332 -4.092
5 HG LEU 1 HG LEU 1 0.639 -3.443 -1.955
6 HD11 LEU 1 1HD1 LEU 1 -1.321 -4.426 -2.671
7 HD12 LEU 1 2HD1 LEU 1 -1.318 -3.563 -4.209
8 HD13 LEU 1 3HD1 LEU 1 -1.734 -2.712 -2.722
9 HD21 LEU 1 1HD2 LEU 1 1.642 -3.154 -4.654
10 HD22 LEU 1 2HD2 LEU 1 0.634 -4.590 -4.481
11 HD23 LEU 1 3HD2 LEU 1 2.031 -4.361 -3.428
12 H GLU 2 H GLU 2 3.955 0.377 -3.163
13 HA GLU 2 HA GLU 2 3.154 2.863 -2.272
14 HB2 GLU 2 2HB GLU 2 5.233 1.830 -4.055
15 HB3 GLU 2 3HB GLU 2 4.747 3.477 -4.436
16 HG2 GLU 2 2HG GLU 2 5.666 2.511 -1.737
17 HG3 GLU 2 3HG GLU 2 6.652 3.393 -2.902
18 H TYR 3 H TYR 3 2.583 4.803 -3.501
19 HA TYR 3 HA TYR 3 0.390 4.244 -5.300
20 HB2 TYR 3 2HB TYR 3 1.426 6.723 -3.951
21 HB3 TYR 3 3HB TYR 3 0.219 6.828 -5.228
22 HD1 TYR 3 HD1 TYR 3 -1.841 5.158 -4.883
23 HD2 TYR 3 HD2 TYR 3 0.668 6.629 -1.777
24 HE1 TYR 3 HE1 TYR 3 -3.620 4.716 -3.244
25 HE2 TYR 3 HE2 TYR 3 -1.104 6.189 -0.129
26 HH TYR 3 HH TYR 3 -3.086 5.164 0.215
27 H LYS 4 H LYS 4 0.217 4.876 -7.429
28 HA LYS 4 HA LYS 4 2.717 5.151 -8.852
29 HB2 LYS 4 2HB LYS 4 -0.130 5.020 -9.862
30 HB3 LYS 4 3HB LYS 4 1.306 4.983 -10.877
31 HG2 LYS 4 2HG LYS 4 0.497 2.925 -8.833
32 HG3 LYS 4 3HG LYS 4 0.447 2.752 -10.589
33 HD2 LYS 4 2HD LYS 4 2.931 3.132 -10.597
34 HD3 LYS 4 3HD LYS 4 2.883 3.028 -8.835
35 HE2 LYS 4 2HE LYS 4 1.980 0.878 -10.751
36 HE3 LYS 4 3HE LYS 4 3.507 0.891 -9.870
37 HZ1 LYS 4 1HZ LYS 4 1.798 -0.492 -8.809
38 HZ2 LYS 4 2HZ LYS 4 0.825 0.875 -8.596
39 HZ3 LYS 4 3HZ LYS 4 2.316 0.766 -7.803
40 H GLY 5 H GLY 5 3.631 7.097 -8.989
41 HA2 GLY 5 2HA GLY 5 1.911 9.364 -9.763
42 HA3 GLY 5 3HA GLY 5 3.086 9.542 -8.468
43 H GLU 6 H GLU 6 2.975 11.080 -10.879
44 HA GLU 6 HA GLU 6 5.428 10.189 -12.241
45 HB2 GLU 6 2HB GLU 6 3.523 12.259 -13.308
46 HB3 GLU 6 3HB GLU 6 4.732 11.332 -14.185
47 HG2 GLU 6 2HG GLU 6 2.914 10.176 -14.839
48 HG3 GLU 6 3HG GLU 6 3.218 9.316 -13.331
49 H CYS 7 H CYS 7 6.752 12.075 -13.120
50 HA CYS 7 HA CYS 7 6.902 14.191 -11.073
51 HB2 CYS 7 2HB CYS 7 9.123 13.864 -10.817
52 HB3 CYS 7 3HB CYS 7 8.794 12.276 -11.503
53 H PHE 8 H PHE 8 8.200 16.132 -11.902
54 HA PHE 8 HA PHE 8 7.303 16.743 -14.640
55 HB2 PHE 8 2HB PHE 8 6.876 18.121 -12.178
56 HB3 PHE 8 3HB PHE 8 7.884 19.134 -13.206
57 HD1 PHE 8 HD1 PHE 8 5.127 16.784 -14.065
58 HD2 PHE 8 HD2 PHE 8 6.523 20.805 -14.028
59 HE1 PHE 8 HE1 PHE 8 3.131 17.485 -15.321
60 HE2 PHE 8 HE2 PHE 8 4.529 21.513 -15.283
61 HZ PHE 8 HZ PHE 8 2.829 19.852 -15.930
62 H THR 9 H THR 9 8.628 18.642 -15.592
63 HA THR 9 HA THR 9 11.189 17.792 -16.146
64 HB THR 9 HB THR 9 11.184 20.643 -16.322
65 HG1 THR 9 HG1 THR 9 9.160 21.087 -16.712
66 HG21 THR 9 1HG2 THR 9 11.849 20.180 -18.420
67 HG22 THR 9 2HG2 THR 9 10.470 19.124 -18.724
68 HG23 THR 9 3HG2 THR 9 11.885 18.504 -17.874
69 H LYS 10 H LYS 10 13.072 19.632 -15.812
70 HA LYS 10 HA LYS 10 14.097 19.195 -13.279
71 HB2 LYS 10 2HB LYS 10 14.825 20.724 -15.607
72 HB3 LYS 10 3HB LYS 10 15.172 21.651 -14.153
73 HG2 LYS 10 2HG LYS 10 16.036 18.806 -14.285
74 HG3 LYS 10 3HG LYS 10 16.951 20.027 -15.172
75 HD2 LYS 10 2HD LYS 10 16.289 20.215 -12.236
76 HD3 LYS 10 3HD LYS 10 17.803 19.562 -12.867
77 HE2 LYS 10 2HE LYS 10 17.116 22.162 -13.992
78 HE3 LYS 10 3HE LYS 10 17.309 22.197 -12.240
79 HZ1 LYS 10 1HZ LYS 10 19.424 20.724 -13.050
80 HZ2 LYS 10 2HZ LYS 10 19.471 22.377 -12.693
81 HZ3 LYS 10 3HZ LYS 10 19.293 21.863 -14.295
82 H ASP 11 H ASP 11 11.458 21.034 -14.004
83 HA ASP 11 HA ASP 11 11.799 23.278 -12.307
84 HB2 ASP 11 2HB ASP 11 9.192 21.963 -13.093
85 HB3 ASP 11 3HB ASP 11 9.426 23.629 -12.569
86 H ASN 12 H ASN 12 11.673 20.078 -11.541
87 HA ASN 12 HA ASN 12 11.367 18.904 -9.617
88 HB2 ASN 12 2HB ASN 12 12.073 21.618 -8.769
89 HB3 ASN 12 3HB ASN 12 11.164 20.724 -7.555
90 HD21 ASN 12 1HD2 ASN 12 12.040 18.177 -7.939
91 HD22 ASN 12 2HD2 ASN 12 13.725 18.072 -7.575
92 H THR 13 H THR 13 9.344 18.070 -9.978
93 HA THR 13 HA THR 13 7.262 18.940 -8.238
94 HB THR 13 HB THR 13 5.896 18.950 -10.725
95 HG1 THR 13 HG1 THR 13 8.218 19.709 -11.287
96 HG21 THR 13 1HG2 THR 13 4.959 20.092 -8.903
97 HG22 THR 13 2HG2 THR 13 5.478 21.378 -9.994
98 HG23 THR 13 3HG2 THR 13 6.449 20.977 -8.578
99 H CYS 14 H CYS 14 5.566 17.434 -8.068
100 HA CYS 14 HA CYS 14 5.692 15.056 -9.762
101 HB2 CYS 14 2HB CYS 14 6.362 15.169 -6.869
102 HB3 CYS 14 3HB CYS 14 5.380 13.809 -7.406
103 H LYS 15 H LYS 15 3.765 13.952 -9.946
104 HA LYS 15 HA LYS 15 1.465 15.098 -8.504
105 HB2 LYS 15 2HB LYS 15 1.467 15.884 -10.819
106 HB3 LYS 15 3HB LYS 15 1.575 14.227 -11.399
107 HG2 LYS 15 2HG LYS 15 -0.615 13.763 -10.905
108 HG3 LYS 15 3HG LYS 15 -0.704 14.994 -9.643
109 HD2 LYS 15 2HD LYS 15 -0.168 16.069 -12.312
110 HD3 LYS 15 3HD LYS 15 -1.720 15.239 -12.175
111 HE2 LYS 15 2HE LYS 15 -2.542 16.742 -10.651
112 HE3 LYS 15 3HE LYS 15 -0.943 17.161 -10.039
113 HZ1 LYS 15 1HZ LYS 15 -0.685 18.762 -11.571
114 HZ2 LYS 15 2HZ LYS 15 -2.373 18.717 -11.669
115 HZ3 LYS 15 3HZ LYS 15 -1.438 17.879 -12.802
116 H TYR 16 H TYR 16 0.631 13.618 -7.198
117 HA TYR 16 HA TYR 16 0.586 10.812 -8.102
118 HB2 TYR 16 2HB TYR 16 0.907 10.075 -5.870
119 HB3 TYR 16 3HB TYR 16 2.089 11.354 -6.125
120 HD1 TYR 16 HD1 TYR 16 -0.336 10.115 -3.925
121 HD2 TYR 16 HD2 TYR 16 1.236 13.772 -5.429
122 HE1 TYR 16 HE1 TYR 16 -1.191 11.291 -1.942
123 HE2 TYR 16 HE2 TYR 16 0.386 14.958 -3.449
124 HH TYR 16 HH TYR 16 -0.676 13.379 -0.675
125 H LYS 17 H LYS 17 -1.253 9.572 -7.614
126 HA LYS 17 HA LYS 17 -3.641 11.164 -6.942
127 HB2 LYS 17 2HB LYS 17 -3.733 10.449 -9.244
128 HB3 LYS 17 3HB LYS 17 -3.347 8.793 -8.792
129 HG2 LYS 17 2HG LYS 17 -5.464 8.504 -7.742
130 HG3 LYS 17 3HG LYS 17 -5.839 10.222 -7.901
131 HD2 LYS 17 2HD LYS 17 -6.607 9.947 -9.979
132 HD3 LYS 17 3HD LYS 17 -5.183 9.020 -10.456
133 HE2 LYS 17 2HE LYS 17 -6.199 7.040 -9.307
134 HE3 LYS 17 3HE LYS 17 -7.663 7.996 -9.083
135 HZ1 LYS 17 1HZ LYS 17 -8.012 8.103 -11.390
136 HZ2 LYS 17 2HZ LYS 17 -7.609 6.490 -11.081
137 HZ3 LYS 17 3HZ LYS 17 -6.459 7.535 -11.749
138 H ILE 18 H ILE 18 -5.015 10.427 -5.399
139 HA ILE 18 HA ILE 18 -4.411 7.813 -4.182
140 HB ILE 18 HB ILE 18 -5.216 10.291 -2.656
141 HG12 ILE 18 2HG1 ILE 18 -2.934 10.499 -3.544
142 HG13 ILE 18 3HG1 ILE 18 -2.919 10.303 -1.795
143 HG21 ILE 18 1HG2 ILE 18 -4.921 7.446 -1.975
144 HG22 ILE 18 2HG2 ILE 18 -4.181 8.575 -0.842
145 HG23 ILE 18 3HG2 ILE 18 -5.899 8.701 -1.216
146 HD11 ILE 18 1HD1 ILE 18 -1.417 8.707 -2.111
147 HD12 ILE 18 2HD1 ILE 18 -2.725 7.721 -2.765
148 HD13 ILE 18 3HD1 ILE 18 -1.714 8.675 -3.849
149 H ASP 19 H ASP 19 -6.156 6.677 -3.299
150 HA ASP 19 HA ASP 19 -8.543 6.708 -4.658
151 HB2 ASP 19 2HB ASP 19 -7.688 5.592 -2.026
152 HB3 ASP 19 3HB ASP 19 -9.407 5.585 -2.412
153 H GLY 20 H GLY 20 -10.111 8.164 -4.777
154 HA2 GLY 20 2HA GLY 20 -11.927 9.304 -3.648
155 HA3 GLY 20 3HA GLY 20 -10.814 9.665 -2.337
156 H LYS 21 H LYS 21 -8.992 11.128 -2.865
157 HA LYS 21 HA LYS 21 -9.714 13.049 -4.977
158 HB2 LYS 21 2HB LYS 21 -8.980 13.559 -2.108
159 HB3 LYS 21 3HB LYS 21 -8.709 14.786 -3.338
160 HG2 LYS 21 2HG LYS 21 -11.370 13.522 -2.715
161 HG3 LYS 21 3HG LYS 21 -10.825 15.096 -2.131
162 HD2 LYS 21 2HD LYS 21 -11.204 14.303 -5.019
163 HD3 LYS 21 3HD LYS 21 -12.279 15.339 -4.076
164 HE2 LYS 21 2HE LYS 21 -9.426 15.901 -4.871
165 HE3 LYS 21 3HE LYS 21 -10.875 16.727 -5.442
166 HZ1 LYS 21 1HZ LYS 21 -10.265 18.179 -3.844
167 HZ2 LYS 21 2HZ LYS 21 -9.439 17.023 -2.926
168 HZ3 LYS 21 3HZ LYS 21 -11.126 17.121 -2.843
169 H THR 22 H THR 22 -7.995 14.163 -5.965
170 HA THR 22 HA THR 22 -5.416 12.784 -5.717
171 HB THR 22 HB THR 22 -6.487 14.511 -7.957
172 HG1 THR 22 HG1 THR 22 -7.461 12.543 -8.095
173 HG21 THR 22 1HG2 THR 22 -4.487 13.695 -9.196
174 HG22 THR 22 2HG2 THR 22 -3.879 13.012 -7.688
175 HG23 THR 22 3HG2 THR 22 -4.091 14.756 -7.844
176 H TYR 23 H TYR 23 -3.528 13.865 -5.324
177 HA TYR 23 HA TYR 23 -3.674 16.773 -4.930
178 HB2 TYR 23 2HB TYR 23 -2.073 15.123 -3.018
179 HB3 TYR 23 3HB TYR 23 -2.796 16.711 -2.789
180 HD1 TYR 23 HD1 TYR 23 -3.532 13.090 -2.961
181 HD2 TYR 23 HD2 TYR 23 -4.974 16.944 -1.880
182 HE1 TYR 23 HE1 TYR 23 -5.438 12.047 -1.808
183 HE2 TYR 23 HE2 TYR 23 -6.883 15.912 -0.723
184 HH TYR 23 HH TYR 23 -7.143 12.417 -0.363
185 H LEU 24 H LEU 24 -1.409 17.701 -4.617
186 HA LEU 24 HA LEU 24 0.343 16.476 -6.626
187 HB2 LEU 24 2HB LEU 24 -0.508 18.863 -6.837
188 HB3 LEU 24 3HB LEU 24 0.567 19.253 -5.496
189 HG LEU 24 HG LEU 24 2.401 18.211 -7.039
190 HD11 LEU 24 1HD1 LEU 24 0.615 19.234 -9.202
191 HD12 LEU 24 2HD1 LEU 24 0.495 17.554 -8.681
192 HD13 LEU 24 3HD1 LEU 24 2.020 18.174 -9.312
193 HD21 LEU 24 1HD2 LEU 24 2.717 20.451 -8.094
194 HD22 LEU 24 2HD2 LEU 24 2.464 20.498 -6.349
195 HD23 LEU 24 3HD2 LEU 24 1.146 20.920 -7.444
196 H ALA 25 H ALA 25 2.568 16.233 -6.261
197 HA ALA 25 HA ALA 25 3.392 16.375 -3.434
198 HB1 ALA 25 1HB ALA 25 3.740 14.187 -3.413
199 HB2 ALA 25 2HB ALA 25 3.161 14.073 -5.076
200 HB3 ALA 25 3HB ALA 25 4.874 14.347 -4.755
201 H LYS 26 H LYS 26 5.603 16.798 -3.031
202 HA LYS 26 HA LYS 26 6.973 18.108 -5.284
203 HB2 LYS 26 2HB LYS 26 6.494 19.726 -3.612
204 HB3 LYS 26 3HB LYS 26 7.015 18.653 -2.319
205 HG2 LYS 26 2HG LYS 26 8.631 20.436 -2.742
206 HG3 LYS 26 3HG LYS 26 9.317 18.840 -3.052
207 HD2 LYS 26 2HD LYS 26 9.761 19.376 -5.167
208 HD3 LYS 26 3HD LYS 26 8.096 19.898 -5.437
209 HE2 LYS 26 2HE LYS 26 9.332 21.823 -5.848
210 HE3 LYS 26 3HE LYS 26 8.796 22.037 -4.182
211 HZ1 LYS 26 1HZ LYS 26 11.483 21.298 -5.165
212 HZ2 LYS 26 2HZ LYS 26 11.020 21.002 -3.565
213 HZ3 LYS 26 3HZ LYS 26 11.045 22.586 -4.159
214 H CYS 27 H CYS 27 9.102 17.660 -5.718
215 HA CYS 27 HA CYS 27 10.249 15.374 -4.257
216 HB2 CYS 27 2HB CYS 27 10.152 16.090 -7.136
217 HB3 CYS 27 3HB CYS 27 11.646 15.360 -6.557
218 HA PRO 28 HA PRO 28 13.806 17.671 -3.116
219 HB2 PRO 28 2HB PRO 28 15.830 15.910 -3.537
220 HB3 PRO 28 3HB PRO 28 14.665 15.738 -2.219
221 HG2 PRO 28 2HG PRO 28 14.727 14.373 -4.882
222 HG3 PRO 28 3HG PRO 28 14.378 13.691 -3.283
223 HD2 PRO 28 2HD PRO 28 12.429 14.330 -5.050
224 HD3 PRO 28 3HD PRO 28 12.202 14.451 -3.294
225 H SER 29 H SER 29 15.578 18.864 -3.880
226 HA SER 29 HA SER 29 15.614 19.224 -6.755
227 HB2 SER 29 2HB SER 29 17.553 20.849 -5.376
228 HB3 SER 29 3HB SER 29 16.094 21.349 -6.232
229 HG SER 29 HG SER 29 15.534 21.908 -4.263
230 H ALA 30 H ALA 30 17.164 17.195 -4.706
231 HA ALA 30 HA ALA 30 19.866 17.331 -5.305
232 HB1 ALA 30 1HB ALA 30 19.079 14.587 -5.214
233 HB2 ALA 30 2HB ALA 30 19.900 15.549 -3.985
234 HB3 ALA 30 3HB ALA 30 18.138 15.501 -4.035
235 H ALA 31 H ALA 31 21.035 17.020 -7.084
236 HA ALA 31 HA ALA 31 19.931 16.673 -9.613
237 HB1 ALA 31 1HB ALA 31 22.059 17.668 -9.484
238 HB2 ALA 31 2HB ALA 31 22.734 16.301 -8.595
239 HB3 ALA 31 3HB ALA 31 22.313 16.124 -10.299
240 H ASN 32 H ASN 32 20.806 14.327 -7.231
241 HA ASN 32 HA ASN 32 20.897 12.114 -9.084
242 HB2 ASN 32 2HB ASN 32 21.073 12.357 -6.090
243 HB3 ASN 32 3HB ASN 32 20.908 10.785 -6.865
244 HD21 ASN 32 1HD2 ASN 32 22.913 13.657 -6.650
245 HD22 ASN 32 2HD2 ASN 32 24.383 12.895 -7.144
246 H THR 33 H THR 33 18.528 13.759 -7.207
247 HA THR 33 HA THR 33 16.567 11.643 -7.817
248 HB THR 33 HB THR 33 15.218 12.738 -5.921
249 HG1 THR 33 HG1 THR 33 16.835 14.546 -5.847
250 HG21 THR 33 1HG2 THR 33 17.539 11.564 -4.590
251 HG22 THR 33 2HG2 THR 33 16.974 10.624 -5.971
252 HG23 THR 33 3HG2 THR 33 15.868 11.006 -4.652
253 H LYS 34 H LYS 34 17.531 14.153 -9.286
254 HA LYS 34 HA LYS 34 15.074 15.717 -9.406
255 HB2 LYS 34 2HB LYS 34 17.858 16.056 -10.433
256 HB3 LYS 34 3HB LYS 34 16.554 16.908 -11.249
257 HG2 LYS 34 2HG LYS 34 16.165 17.349 -8.509
258 HG3 LYS 34 3HG LYS 34 17.894 17.551 -8.802
259 HD2 LYS 34 2HD LYS 34 16.184 18.799 -10.826
260 HD3 LYS 34 3HD LYS 34 15.990 19.471 -9.205
261 HE2 LYS 34 2HE LYS 34 17.725 20.608 -10.594
262 HE3 LYS 34 3HE LYS 34 18.320 19.976 -9.060
263 HZ1 LYS 34 1HZ LYS 34 19.674 18.546 -10.090
264 HZ2 LYS 34 2HZ LYS 34 19.468 19.532 -11.449
265 HZ3 LYS 34 3HZ LYS 34 18.534 18.133 -11.270
266 H CYS 35 H CYS 35 14.506 16.418 -11.778
267 HA CYS 35 HA CYS 35 14.391 13.981 -13.432
268 HB2 CYS 35 2HB CYS 35 12.254 16.066 -12.964
269 HB3 CYS 35 3HB CYS 35 12.162 14.843 -14.226
270 H GLU 36 H GLU 36 15.063 14.161 -15.478
271 HA GLU 36 HA GLU 36 15.991 16.761 -16.396
272 HB2 GLU 36 2HB GLU 36 17.313 15.619 -17.949
273 HB3 GLU 36 3HB GLU 36 17.315 14.558 -16.547
274 HG2 GLU 36 2HG GLU 36 15.306 13.420 -17.741
275 HG3 GLU 36 3HG GLU 36 15.950 14.217 -19.176
276 H LYS 37 H LYS 37 13.402 14.552 -16.943
277 HA LYS 37 HA LYS 37 12.295 16.372 -18.948
278 HB2 LYS 37 2HB LYS 37 13.478 14.161 -19.856
279 HB3 LYS 37 3HB LYS 37 11.921 13.458 -19.438
280 HG2 LYS 37 2HG LYS 37 10.788 15.027 -20.894
281 HG3 LYS 37 3HG LYS 37 12.322 15.816 -21.269
282 HD2 LYS 37 2HD LYS 37 13.056 13.437 -22.023
283 HD3 LYS 37 3HD LYS 37 11.321 13.121 -22.101
284 HE2 LYS 37 2HE LYS 37 12.163 15.629 -23.366
285 HE3 LYS 37 3HE LYS 37 12.816 14.177 -24.122
286 HZ1 LYS 37 1HZ LYS 37 10.444 13.336 -24.098
287 HZ2 LYS 37 2HZ LYS 37 10.792 14.579 -25.191
288 HZ3 LYS 37 3HZ LYS 37 9.978 14.924 -23.748
289 H ASP 38 H ASP 38 10.268 16.890 -18.463
290 HA ASP 38 HA ASP 38 8.922 15.946 -16.216
291 HB2 ASP 38 2HB ASP 38 7.157 17.340 -16.836
292 HB3 ASP 38 3HB ASP 38 8.540 18.093 -17.624
293 H GLY 39 H GLY 39 7.142 14.575 -15.934
294 HA2 GLY 39 2HA GLY 39 5.514 13.017 -16.683
295 HA3 GLY 39 3HA GLY 39 6.385 12.878 -18.203
296 H ASN 40 H ASN 40 8.819 12.757 -16.148
297 HA ASN 40 HA ASN 40 9.348 10.044 -16.444
298 HB2 ASN 40 2HB ASN 40 10.658 12.270 -15.337
299 HB3 ASN 40 3HB ASN 40 10.592 11.072 -14.048
300 HD21 ASN 40 1HD2 ASN 40 11.765 11.787 -17.243
301 HD22 ASN 40 2HD2 ASN 40 12.928 10.512 -17.319
302 H LYS 41 H LYS 41 9.938 8.732 -14.281
303 HA LYS 41 HA LYS 41 7.381 8.126 -13.100
304 HB2 LYS 41 2HB LYS 41 9.857 6.761 -13.522
305 HB3 LYS 41 3HB LYS 41 9.463 6.683 -11.810
306 HG2 LYS 41 2HG LYS 41 7.321 6.059 -13.771
307 HG3 LYS 41 3HG LYS 41 8.602 4.871 -13.518
308 HD2 LYS 41 2HD LYS 41 7.632 4.200 -11.634
309 HD3 LYS 41 3HD LYS 41 7.736 5.835 -10.978
310 HE2 LYS 41 2HE LYS 41 5.426 4.935 -11.027
311 HE3 LYS 41 3HE LYS 41 5.620 6.419 -11.957
312 HZ1 LYS 41 1HZ LYS 41 4.393 4.292 -12.912
313 HZ2 LYS 41 2HZ LYS 41 5.967 3.908 -13.396
314 HZ3 LYS 41 3HZ LYS 41 5.256 5.357 -13.903
315 H CYS 42 H CYS 42 6.904 8.114 -10.865
316 HA CYS 42 HA CYS 42 8.718 9.486 -9.054
317 HB2 CYS 42 2HB CYS 42 7.291 11.231 -10.244
318 HB3 CYS 42 3HB CYS 42 5.911 10.538 -9.398
319 H THR 43 H THR 43 8.039 9.354 -6.816
320 HA THR 43 HA THR 43 5.929 7.388 -6.276
321 HB THR 43 HB THR 43 8.155 6.985 -4.476
322 HG1 THR 43 HG1 THR 43 8.635 6.631 -7.263
323 HG21 THR 43 1HG2 THR 43 6.322 5.394 -6.177
324 HG22 THR 43 2HG2 THR 43 6.731 5.210 -4.471
325 HG23 THR 43 3HG2 THR 43 7.843 4.633 -5.713
326 H TYR 44 H TYR 44 4.857 7.660 -4.353
327 HA TYR 44 HA TYR 44 5.794 9.785 -2.557
328 HB2 TYR 44 2HB TYR 44 4.203 11.013 -3.718
329 HB3 TYR 44 3HB TYR 44 3.165 9.617 -3.982
330 HD1 TYR 44 HD1 TYR 44 4.108 12.266 -1.638
331 HD2 TYR 44 HD2 TYR 44 1.598 8.890 -2.271
332 HE1 TYR 44 HE1 TYR 44 2.724 12.943 0.280
333 HE2 TYR 44 HE2 TYR 44 0.206 9.558 -0.357
334 HH TYR 44 HH TYR 44 1.152 12.115 1.799
335 H ASP 45 H ASP 45 5.693 9.251 -0.471
336 HA ASP 45 HA ASP 45 4.383 6.736 0.247
337 HB2 ASP 45 2HB ASP 45 6.824 7.258 0.817
338 HB3 ASP 45 3HB ASP 45 6.186 8.376 2.020
339 H SER 46 H SER 46 2.518 6.699 1.304
340 HA SER 46 HA SER 46 1.321 9.170 2.202
341 HB2 SER 46 2HB SER 46 -0.650 8.099 1.941
342 HB3 SER 46 3HB SER 46 0.302 6.855 1.130
343 HG SER 46 HG SER 46 -1.170 6.343 3.066
344 H TYR 47 H TYR 47 3.246 6.768 3.575
345 HA TYR 47 HA TYR 47 2.157 6.891 6.239
346 HB2 TYR 47 2HB TYR 47 3.364 4.894 5.289
347 HB3 TYR 47 3HB TYR 47 4.854 5.825 5.389
348 HD1 TYR 47 HD1 TYR 47 5.857 6.343 7.550
349 HD2 TYR 47 HD2 TYR 47 2.292 4.036 7.284
350 HE1 TYR 47 HE1 TYR 47 6.155 5.624 9.883
351 HE2 TYR 47 HE2 TYR 47 2.579 3.312 9.617
352 HH TYR 47 HH TYR 47 5.482 3.879 11.373
353 H ASN 48 H ASN 48 4.978 8.218 4.555
354 HA ASN 48 HA ASN 48 5.485 9.945 6.884
355 HB2 ASN 48 2HB ASN 48 7.645 10.171 5.103
356 HB3 ASN 48 3HB ASN 48 7.618 9.310 6.639
357 HD21 ASN 48 1HD2 ASN 48 8.148 9.034 3.382
358 HD22 ASN 48 2HD2 ASN 48 8.038 7.316 3.230
359 H ARG 49 H ARG 49 3.934 10.010 4.022
360 HA ARG 49 HA ARG 49 3.270 11.624 2.559
361 HB2 ARG 49 2HB ARG 49 4.002 13.479 4.832
362 HB3 ARG 49 3HB ARG 49 2.933 13.855 3.487
363 HG2 ARG 49 2HG ARG 49 1.593 11.788 4.357
364 HG3 ARG 49 3HG ARG 49 2.458 12.119 5.859
365 HD2 ARG 49 2HD ARG 49 1.564 14.330 5.971
366 HD3 ARG 49 3HD ARG 49 0.888 14.197 4.348
367 HE ARG 49 HE ARG 49 -0.308 12.180 5.726
368 HH11 ARG 49 1HH1 ARG 49 0.013 15.611 6.218
369 HH12 ARG 49 2HH1 ARG 49 -1.498 15.765 7.052
370 HH21 ARG 49 1HH2 ARG 49 -2.299 12.369 6.822
371 HH22 ARG 49 2HH2 ARG 49 -2.812 13.920 7.396
372 H LYS 50 H LYS 50 6.092 10.826 2.555
373 HA LYS 50 HA LYS 50 7.326 13.291 1.520
374 HB2 LYS 50 2HB LYS 50 8.777 12.547 3.169
375 HB3 LYS 50 3HB LYS 50 8.450 10.851 2.837
376 HG2 LYS 50 2HG LYS 50 9.941 10.760 1.098
377 HG3 LYS 50 3HG LYS 50 9.820 12.488 0.761
378 HD2 LYS 50 2HD LYS 50 11.907 12.360 1.729
379 HD3 LYS 50 3HD LYS 50 10.898 12.730 3.130
380 HE2 LYS 50 2HE LYS 50 11.888 10.952 4.066
381 HE3 LYS 50 3HE LYS 50 10.793 10.004 3.062
382 HZ1 LYS 50 1HZ LYS 50 12.587 9.115 2.144
383 HZ2 LYS 50 2HZ LYS 50 13.621 10.192 2.938
384 HZ3 LYS 50 3HZ LYS 50 12.939 10.618 1.450
385 H VAL 51 H VAL 51 8.199 13.334 -0.522
386 HA VAL 51 HA VAL 51 7.365 11.152 -2.288
387 HB VAL 51 HB VAL 51 8.465 13.806 -3.182
388 HG11 VAL 51 1HG1 VAL 51 7.237 13.340 -5.211
389 HG12 VAL 51 2HG1 VAL 51 8.286 11.974 -4.829
390 HG13 VAL 51 3HG1 VAL 51 6.556 11.878 -4.499
391 HG21 VAL 51 1HG2 VAL 51 6.193 14.659 -3.297
392 HG22 VAL 51 2HG2 VAL 51 5.575 13.160 -2.603
393 HG23 VAL 51 3HG2 VAL 51 6.599 14.222 -1.637
394 H LYS 52 H LYS 52 8.779 9.774 -3.135
395 HA LYS 52 HA LYS 52 11.642 10.463 -3.016
396 HB2 LYS 52 2HB LYS 52 11.134 8.639 -1.507
397 HB3 LYS 52 3HB LYS 52 10.296 7.767 -2.784
398 HG2 LYS 52 2HG LYS 52 12.501 6.830 -2.369
399 HG3 LYS 52 3HG LYS 52 12.389 7.502 -3.997
400 HD2 LYS 52 2HD LYS 52 13.590 9.477 -3.317
401 HD3 LYS 52 3HD LYS 52 13.582 8.947 -1.633
402 HE2 LYS 52 2HE LYS 52 15.743 8.562 -2.804
403 HE3 LYS 52 3HE LYS 52 15.017 7.098 -2.144
404 HZ1 LYS 52 1HZ LYS 52 14.265 6.471 -4.302
405 HZ2 LYS 52 2HZ LYS 52 15.910 6.845 -4.424
406 HZ3 LYS 52 3HZ LYS 52 14.750 7.945 -4.975
407 H CYS 53 H CYS 53 12.499 10.841 -4.940
408 HA CYS 53 HA CYS 53 11.458 9.352 -7.262
409 HB2 CYS 53 2HB CYS 53 12.696 12.103 -7.378
410 HB3 CYS 53 3HB CYS 53 11.824 11.258 -8.654
411 H ASP 54 H ASP 54 12.913 8.470 -8.679
412 HA ASP 54 HA ASP 54 15.768 8.912 -8.191
413 HB2 ASP 54 2HB ASP 54 15.858 6.273 -8.640
414 HB3 ASP 54 3HB ASP 54 15.726 6.953 -7.021
415 H PHE 55 H PHE 55 17.110 8.529 -9.971
416 HA PHE 55 HA PHE 55 15.693 8.111 -12.521
417 HB2 PHE 55 2HB PHE 55 17.377 10.300 -11.643
418 HB3 PHE 55 3HB PHE 55 18.029 9.543 -13.092
419 HD1 PHE 55 HD1 PHE 55 14.518 10.127 -11.994
420 HD2 PHE 55 HD2 PHE 55 17.553 10.928 -14.869
421 HE1 PHE 55 HE1 PHE 55 12.889 11.361 -13.365
422 HE2 PHE 55 HE2 PHE 55 15.929 12.164 -16.244
423 HZ PHE 55 HZ PHE 55 13.594 12.382 -15.492
424 H ARG 56 H ARG 56 17.207 7.419 -14.312
425 HA ARG 56 HA ARG 56 19.474 5.828 -13.383
426 HB2 ARG 56 2HB ARG 56 16.987 4.740 -14.657
427 HB3 ARG 56 3HB ARG 56 18.533 3.948 -14.931
428 HG2 ARG 56 2HG ARG 56 18.286 2.856 -13.026
429 HG3 ARG 56 3HG ARG 56 18.320 4.391 -12.156
430 HD2 ARG 56 2HD ARG 56 15.978 4.588 -12.198
431 HD3 ARG 56 3HD ARG 56 15.815 3.347 -13.439
432 HE ARG 56 HE ARG 56 15.828 1.763 -11.794
433 HH11 ARG 56 1HH1 ARG 56 17.114 4.732 -10.509
434 HH12 ARG 56 2HH1 ARG 56 17.194 4.145 -8.881
435 HH21 ARG 56 1HH2 ARG 56 15.929 0.979 -9.654
436 HH22 ARG 56 2HH2 ARG 56 16.521 2.010 -8.396
437 H HIS 57 H HIS 57 21.008 5.376 -14.977
438 HA HIS 57 HA HIS 57 22.231 5.738 -16.861
439 HB2 HIS 57 2HB HIS 57 19.937 4.783 -17.799
440 HB3 HIS 57 3HB HIS 57 19.807 6.408 -18.466
441 HD1 HIS 57 HD1 HIS 57 20.624 6.487 -20.785
442 HD2 HIS 57 HD2 HIS 57 22.753 3.742 -18.505
443 HE1 HIS 57 HE1 HIS 57 22.327 5.492 -22.346
Start of MODEL 3
1 H1 LEU 1 H LEU 1 1.624 -1.956 -0.830
2 HA LEU 1 HA LEU 1 3.073 -1.327 -2.464
3 HB2 LEU 1 2HB LEU 1 0.629 -1.217 -4.223
4 HB3 LEU 1 3HB LEU 1 2.305 -1.320 -4.757
5 HG LEU 1 HG LEU 1 1.481 -3.520 -3.010
6 HD11 LEU 1 1HD1 LEU 1 0.220 -3.253 -5.735
7 HD12 LEU 1 2HD1 LEU 1 -0.634 -3.134 -4.197
8 HD13 LEU 1 3HD1 LEU 1 0.126 -4.654 -4.668
9 HD21 LEU 1 1HD2 LEU 1 3.008 -3.101 -5.539
10 HD22 LEU 1 2HD2 LEU 1 2.443 -4.719 -5.124
11 HD23 LEU 1 3HD2 LEU 1 3.518 -3.851 -4.027
12 H GLU 2 H GLU 2 4.007 0.552 -3.127
13 HA GLU 2 HA GLU 2 3.091 2.984 -2.174
14 HB2 GLU 2 2HB GLU 2 5.221 2.096 -3.998
15 HB3 GLU 2 3HB GLU 2 4.694 3.755 -4.248
16 HG2 GLU 2 2HG GLU 2 6.241 4.199 -2.689
17 HG3 GLU 2 3HG GLU 2 4.950 3.752 -1.575
18 H TYR 3 H TYR 3 2.589 4.954 -3.481
19 HA TYR 3 HA TYR 3 0.383 4.354 -5.263
20 HB2 TYR 3 2HB TYR 3 1.389 6.853 -3.929
21 HB3 TYR 3 3HB TYR 3 0.191 6.937 -5.215
22 HD1 TYR 3 HD1 TYR 3 0.622 6.758 -1.757
23 HD2 TYR 3 HD2 TYR 3 -1.861 5.262 -4.871
24 HE1 TYR 3 HE1 TYR 3 -1.158 6.317 -0.118
25 HE2 TYR 3 HE2 TYR 3 -3.648 4.818 -3.241
26 HH TYR 3 HH TYR 3 -3.223 4.604 -0.061
27 H LYS 4 H LYS 4 0.218 4.953 -7.399
28 HA LYS 4 HA LYS 4 2.725 5.258 -8.807
29 HB2 LYS 4 2HB LYS 4 -0.108 4.706 -9.592
30 HB3 LYS 4 3HB LYS 4 1.016 5.289 -10.812
31 HG2 LYS 4 2HG LYS 4 1.396 2.823 -9.125
32 HG3 LYS 4 3HG LYS 4 0.846 2.851 -10.803
33 HD2 LYS 4 2HD LYS 4 3.077 4.235 -11.132
34 HD3 LYS 4 3HD LYS 4 3.552 3.362 -9.673
35 HE2 LYS 4 2HE LYS 4 2.417 1.981 -12.092
36 HE3 LYS 4 3HE LYS 4 4.143 2.288 -11.901
37 HZ1 LYS 4 1HZ LYS 4 4.221 0.928 -9.991
38 HZ2 LYS 4 2HZ LYS 4 3.351 0.052 -11.146
39 HZ3 LYS 4 3HZ LYS 4 2.535 0.828 -9.884
40 H GLY 5 H GLY 5 3.593 7.222 -8.982
41 HA2 GLY 5 2HA GLY 5 1.822 9.436 -9.792
42 HA3 GLY 5 3HA GLY 5 2.993 9.661 -8.501
43 H GLU 6 H GLU 6 2.868 11.179 -10.904
44 HA GLU 6 HA GLU 6 5.317 10.305 -12.285
45 HB2 GLU 6 2HB GLU 6 3.397 12.371 -13.331
46 HB3 GLU 6 3HB GLU 6 4.602 11.449 -14.219
47 HG2 GLU 6 2HG GLU 6 2.794 10.277 -14.861
48 HG3 GLU 6 3HG GLU 6 3.089 9.432 -13.343
49 H CYS 7 H CYS 7 6.662 12.165 -13.133
50 HA CYS 7 HA CYS 7 6.772 14.322 -11.127
51 HB2 CYS 7 2HB CYS 7 8.994 14.011 -10.802
52 HB3 CYS 7 3HB CYS 7 8.646 12.383 -11.377
53 H PHE 8 H PHE 8 8.131 16.221 -11.956
54 HA PHE 8 HA PHE 8 7.359 16.763 -14.747
55 HB2 PHE 8 2HB PHE 8 7.417 18.516 -12.310
56 HB3 PHE 8 3HB PHE 8 7.545 19.224 -13.917
57 HD1 PHE 8 HD1 PHE 8 5.581 20.123 -14.662
58 HD2 PHE 8 HD2 PHE 8 5.457 16.558 -12.340
59 HE1 PHE 8 HE1 PHE 8 3.131 20.070 -14.881
60 HE2 PHE 8 HE2 PHE 8 3.007 16.499 -12.556
61 HZ PHE 8 HZ PHE 8 1.841 18.256 -13.828
62 H THR 9 H THR 9 8.741 18.656 -15.663
63 HA THR 9 HA THR 9 11.307 17.773 -16.115
64 HB THR 9 HB THR 9 11.336 20.634 -16.268
65 HG1 THR 9 HG1 THR 9 9.443 20.938 -17.492
66 HG21 THR 9 1HG2 THR 9 12.098 18.483 -17.796
67 HG22 THR 9 2HG2 THR 9 12.143 20.169 -18.310
68 HG23 THR 9 3HG2 THR 9 10.759 19.157 -18.723
69 H LYS 10 H LYS 10 13.215 19.559 -15.700
70 HA LYS 10 HA LYS 10 14.116 19.104 -13.120
71 HB2 LYS 10 2HB LYS 10 15.034 20.492 -15.430
72 HB3 LYS 10 3HB LYS 10 15.248 21.556 -14.046
73 HG2 LYS 10 2HG LYS 10 16.146 18.728 -13.827
74 HG3 LYS 10 3HG LYS 10 17.118 19.866 -14.762
75 HD2 LYS 10 2HD LYS 10 16.444 21.189 -12.378
76 HD3 LYS 10 3HD LYS 10 16.918 19.554 -11.913
77 HE2 LYS 10 2HE LYS 10 18.570 21.189 -13.810
78 HE3 LYS 10 3HE LYS 10 18.747 21.349 -12.064
79 HZ1 LYS 10 1HZ LYS 10 20.136 19.641 -12.190
80 HZ2 LYS 10 2HZ LYS 10 19.720 19.306 -13.795
81 HZ3 LYS 10 3HZ LYS 10 18.807 18.652 -12.531
82 H ASP 11 H ASP 11 11.562 21.001 -13.959
83 HA ASP 11 HA ASP 11 11.897 23.257 -12.277
84 HB2 ASP 11 2HB ASP 11 9.652 22.005 -13.761
85 HB3 ASP 11 3HB ASP 11 9.221 23.064 -12.421
86 H ASN 12 H ASN 12 11.655 20.068 -11.483
87 HA ASN 12 HA ASN 12 11.263 18.931 -9.554
88 HB2 ASN 12 2HB ASN 12 11.921 21.666 -8.696
89 HB3 ASN 12 3HB ASN 12 11.007 20.738 -7.511
90 HD21 ASN 12 1HD2 ASN 12 11.945 18.220 -7.881
91 HD22 ASN 12 2HD2 ASN 12 13.626 18.149 -7.487
92 H THR 13 H THR 13 9.253 18.103 -9.966
93 HA THR 13 HA THR 13 7.104 19.039 -8.346
94 HB THR 13 HB THR 13 5.975 18.982 -11.004
95 HG1 THR 13 HG1 THR 13 6.985 21.241 -11.347
96 HG21 THR 13 1HG2 THR 13 6.033 20.906 -8.696
97 HG22 THR 13 2HG2 THR 13 4.694 19.913 -9.273
98 HG23 THR 13 3HG2 THR 13 5.228 21.306 -10.212
99 H CYS 14 H CYS 14 5.441 17.528 -8.150
100 HA CYS 14 HA CYS 14 5.554 15.131 -9.813
101 HB2 CYS 14 2HB CYS 14 6.197 15.260 -6.906
102 HB3 CYS 14 3HB CYS 14 5.270 13.878 -7.480
103 H LYS 15 H LYS 15 3.620 14.040 -9.984
104 HA LYS 15 HA LYS 15 1.334 15.200 -8.532
105 HB2 LYS 15 2HB LYS 15 1.377 15.957 -10.881
106 HB3 LYS 15 3HB LYS 15 1.373 14.280 -11.413
107 HG2 LYS 15 2HG LYS 15 -0.840 14.700 -11.601
108 HG3 LYS 15 3HG LYS 15 -0.815 14.218 -9.904
109 HD2 LYS 15 2HD LYS 15 -0.261 16.875 -9.718
110 HD3 LYS 15 3HD LYS 15 -1.334 16.841 -11.118
111 HE2 LYS 15 2HE LYS 15 -2.228 15.190 -8.869
112 HE3 LYS 15 3HE LYS 15 -2.145 16.914 -8.512
113 HZ1 LYS 15 1HZ LYS 15 -3.340 16.870 -10.929
114 HZ2 LYS 15 2HZ LYS 15 -4.154 16.980 -9.450
115 HZ3 LYS 15 3HZ LYS 15 -3.976 15.478 -10.208
116 H TYR 16 H TYR 16 0.575 13.715 -7.181
117 HA TYR 16 HA TYR 16 0.493 10.911 -8.085
118 HB2 TYR 16 2HB TYR 16 0.827 10.185 -5.852
119 HB3 TYR 16 3HB TYR 16 2.005 11.466 -6.117
120 HD1 TYR 16 HD1 TYR 16 1.153 13.884 -5.425
121 HD2 TYR 16 HD2 TYR 16 -0.410 10.231 -3.904
122 HE1 TYR 16 HE1 TYR 16 0.307 15.076 -3.447
123 HE2 TYR 16 HE2 TYR 16 -1.262 11.413 -1.923
124 HH TYR 16 HH TYR 16 -0.641 14.869 -1.438
125 H LYS 17 H LYS 17 -1.344 9.675 -7.586
126 HA LYS 17 HA LYS 17 -3.729 11.269 -6.906
127 HB2 LYS 17 2HB LYS 17 -3.880 10.569 -9.191
128 HB3 LYS 17 3HB LYS 17 -3.411 8.924 -8.780
129 HG2 LYS 17 2HG LYS 17 -5.504 8.630 -7.556
130 HG3 LYS 17 3HG LYS 17 -5.974 10.281 -7.968
131 HD2 LYS 17 2HD LYS 17 -5.355 8.152 -10.011
132 HD3 LYS 17 3HD LYS 17 -6.981 8.504 -9.421
133 HE2 LYS 17 2HE LYS 17 -5.844 10.972 -10.147
134 HE3 LYS 17 3HE LYS 17 -5.451 9.844 -11.444
135 HZ1 LYS 17 1HZ LYS 17 -7.828 11.155 -11.091
136 HZ2 LYS 17 2HZ LYS 17 -8.158 9.573 -10.593
137 HZ3 LYS 17 3HZ LYS 17 -7.544 9.861 -12.143
138 H ILE 18 H ILE 18 -5.098 10.535 -5.357
139 HA ILE 18 HA ILE 18 -4.489 7.924 -4.137
140 HB ILE 18 HB ILE 18 -5.280 10.407 -2.611
141 HG12 ILE 18 2HG1 ILE 18 -3.004 10.615 -3.503
142 HG13 ILE 18 3HG1 ILE 18 -2.975 10.402 -1.756
143 HG21 ILE 18 1HG2 ILE 18 -4.470 8.913 -0.682
144 HG22 ILE 18 2HG2 ILE 18 -6.053 8.586 -1.384
145 HG23 ILE 18 3HG2 ILE 18 -4.671 7.582 -1.821
146 HD11 ILE 18 1HD1 ILE 18 -1.792 8.791 -3.837
147 HD12 ILE 18 2HD1 ILE 18 -1.484 8.801 -2.100
148 HD13 ILE 18 3HD1 ILE 18 -2.800 7.828 -2.757
149 H ASP 19 H ASP 19 -6.231 6.792 -3.241
150 HA ASP 19 HA ASP 19 -8.626 6.826 -4.586
151 HB2 ASP 19 2HB ASP 19 -8.023 5.853 -1.790
152 HB3 ASP 19 3HB ASP 19 -9.539 5.529 -2.626
153 H GLY 20 H GLY 20 -10.195 8.282 -4.696
154 HA2 GLY 20 2HA GLY 20 -12.001 9.424 -3.553
155 HA3 GLY 20 3HA GLY 20 -10.876 9.790 -2.254
156 H LYS 21 H LYS 21 -9.061 11.253 -2.799
157 HA LYS 21 HA LYS 21 -9.800 13.166 -4.913
158 HB2 LYS 21 2HB LYS 21 -9.046 13.686 -2.051
159 HB3 LYS 21 3HB LYS 21 -8.782 14.909 -3.287
160 HG2 LYS 21 2HG LYS 21 -11.440 13.647 -2.642
161 HG3 LYS 21 3HG LYS 21 -10.891 15.223 -2.067
162 HD2 LYS 21 2HD LYS 21 -11.288 14.421 -4.950
163 HD3 LYS 21 3HD LYS 21 -12.357 15.460 -4.004
164 HE2 LYS 21 2HE LYS 21 -10.136 16.832 -3.639
165 HE3 LYS 21 3HE LYS 21 -9.655 16.021 -5.129
166 HZ1 LYS 21 1HZ LYS 21 -11.521 18.165 -4.737
167 HZ2 LYS 21 2HZ LYS 21 -12.161 16.909 -5.671
168 HZ3 LYS 21 3HZ LYS 21 -10.727 17.670 -6.146
169 H THR 22 H THR 22 -8.090 14.276 -5.919
170 HA THR 22 HA THR 22 -5.508 12.899 -5.685
171 HB THR 22 HB THR 22 -6.597 14.619 -7.922
172 HG1 THR 22 HG1 THR 22 -7.486 12.759 -8.415
173 HG21 THR 22 1HG2 THR 22 -3.974 13.156 -7.632
174 HG22 THR 22 2HG2 THR 22 -4.218 14.886 -7.870
175 HG23 THR 22 3HG2 THR 22 -4.599 13.756 -9.168
176 H TYR 23 H TYR 23 -3.616 13.982 -5.313
177 HA TYR 23 HA TYR 23 -3.760 16.890 -4.923
178 HB2 TYR 23 2HB TYR 23 -2.142 15.246 -3.021
179 HB3 TYR 23 3HB TYR 23 -2.866 16.834 -2.789
180 HD1 TYR 23 HD1 TYR 23 -5.040 17.067 -1.868
181 HD2 TYR 23 HD2 TYR 23 -3.594 13.211 -2.939
182 HE1 TYR 23 HE1 TYR 23 -6.939 16.035 -0.695
183 HE2 TYR 23 HE2 TYR 23 -5.490 12.169 -1.770
184 HH TYR 23 HH TYR 23 -7.113 12.621 -0.128
185 H LEU 24 H LEU 24 -1.493 17.820 -4.632
186 HA LEU 24 HA LEU 24 0.247 16.583 -6.645
187 HB2 LEU 24 2HB LEU 24 -0.442 19.323 -5.915
188 HB3 LEU 24 3HB LEU 24 1.290 19.070 -6.120
189 HG LEU 24 HG LEU 24 -0.620 18.175 -8.243
190 HD11 LEU 24 1HD1 LEU 24 -0.178 20.420 -9.320
191 HD12 LEU 24 2HD1 LEU 24 0.336 20.978 -7.729
192 HD13 LEU 24 3HD1 LEU 24 -1.316 20.411 -7.973
193 HD21 LEU 24 1HD2 LEU 24 2.283 18.744 -7.976
194 HD22 LEU 24 2HD2 LEU 24 1.516 19.053 -9.534
195 HD23 LEU 24 3HD2 LEU 24 1.457 17.438 -8.827
196 H ALA 25 H ALA 25 2.483 16.374 -6.294
197 HA ALA 25 HA ALA 25 3.332 16.571 -3.479
198 HB1 ALA 25 1HB ALA 25 3.054 14.222 -5.035
199 HB2 ALA 25 2HB ALA 25 4.778 14.492 -4.772
200 HB3 ALA 25 3HB ALA 25 3.681 14.384 -3.395
201 H LYS 26 H LYS 26 5.537 17.016 -3.111
202 HA LYS 26 HA LYS 26 6.905 18.214 -5.427
203 HB2 LYS 26 2HB LYS 26 6.167 19.496 -3.178
204 HB3 LYS 26 3HB LYS 26 7.754 18.927 -2.677
205 HG2 LYS 26 2HG LYS 26 7.367 20.395 -5.260
206 HG3 LYS 26 3HG LYS 26 7.581 21.250 -3.730
207 HD2 LYS 26 2HD LYS 26 9.583 19.287 -3.800
208 HD3 LYS 26 3HD LYS 26 9.550 20.001 -5.415
209 HE2 LYS 26 2HE LYS 26 9.793 22.219 -4.468
210 HE3 LYS 26 3HE LYS 26 9.723 21.557 -2.836
211 HZ1 LYS 26 1HZ LYS 26 11.746 20.301 -4.404
212 HZ2 LYS 26 2HZ LYS 26 11.873 21.065 -2.900
213 HZ3 LYS 26 3HZ LYS 26 11.981 21.975 -4.322
214 H CYS 27 H CYS 27 9.049 17.767 -5.815
215 HA CYS 27 HA CYS 27 10.182 15.542 -4.252
216 HB2 CYS 27 2HB CYS 27 10.036 16.097 -7.141
217 HB3 CYS 27 3HB CYS 27 11.609 15.542 -6.580
218 HA PRO 28 HA PRO 28 13.712 17.895 -3.139
219 HB2 PRO 28 2HB PRO 28 15.743 16.120 -3.446
220 HB3 PRO 28 3HB PRO 28 14.554 16.003 -2.144
221 HG2 PRO 28 2HG PRO 28 14.667 14.526 -4.746
222 HG3 PRO 28 3HG PRO 28 14.289 13.911 -3.127
223 HD2 PRO 28 2HD PRO 28 12.373 14.473 -4.956
224 HD3 PRO 28 3HD PRO 28 12.113 14.668 -3.210
225 H SER 29 H SER 29 15.491 19.061 -3.920
226 HA SER 29 HA SER 29 15.572 19.321 -6.800
227 HB2 SER 29 2HB SER 29 17.532 20.969 -5.533
228 HB3 SER 29 3HB SER 29 16.017 21.456 -6.293
229 HG SER 29 HG SER 29 16.125 22.065 -4.083
230 H ALA 30 H ALA 30 17.081 17.336 -4.671
231 HA ALA 30 HA ALA 30 19.785 17.405 -5.266
232 HB1 ALA 30 1HB ALA 30 19.745 15.712 -3.836
233 HB2 ALA 30 2HB ALA 30 17.991 15.608 -3.989
234 HB3 ALA 30 3HB ALA 30 19.027 14.683 -5.075
235 H ALA 31 H ALA 31 20.946 17.029 -7.037
236 HA ALA 31 HA ALA 31 19.839 16.599 -9.551
237 HB1 ALA 31 1HB ALA 31 22.643 15.739 -9.016
238 HB2 ALA 31 2HB ALA 31 21.982 16.654 -10.372
239 HB3 ALA 31 3HB ALA 31 22.207 17.436 -8.807
240 H ASN 32 H ASN 32 20.682 14.336 -7.082
241 HA ASN 32 HA ASN 32 20.769 12.054 -8.851
242 HB2 ASN 32 2HB ASN 32 20.636 12.125 -5.828
243 HB3 ASN 32 3HB ASN 32 21.068 10.738 -6.825
244 HD21 ASN 32 1HD2 ASN 32 22.994 10.977 -8.186
245 HD22 ASN 32 2HD2 ASN 32 24.318 11.907 -7.579
246 H THR 33 H THR 33 18.405 13.771 -7.016
247 HA THR 33 HA THR 33 16.426 11.664 -7.598
248 HB THR 33 HB THR 33 15.089 12.847 -5.721
249 HG1 THR 33 HG1 THR 33 16.594 14.614 -5.528
250 HG21 THR 33 1HG2 THR 33 17.231 11.584 -4.269
251 HG22 THR 33 2HG2 THR 33 16.878 10.688 -5.747
252 HG23 THR 33 3HG2 THR 33 15.596 11.001 -4.578
253 H LYS 34 H LYS 34 17.415 14.140 -9.104
254 HA LYS 34 HA LYS 34 14.972 15.723 -9.252
255 HB2 LYS 34 2HB LYS 34 17.766 16.032 -10.244
256 HB3 LYS 34 3HB LYS 34 16.484 16.860 -11.119
257 HG2 LYS 34 2HG LYS 34 16.434 17.187 -8.197
258 HG3 LYS 34 3HG LYS 34 17.814 17.911 -9.026
259 HD2 LYS 34 2HD LYS 34 15.681 18.622 -10.618
260 HD3 LYS 34 3HD LYS 34 15.014 18.724 -8.987
261 HE2 LYS 34 2HE LYS 34 16.771 20.223 -8.310
262 HE3 LYS 34 3HE LYS 34 17.594 20.020 -9.856
263 HZ1 LYS 34 1HZ LYS 34 16.489 21.869 -10.406
264 HZ2 LYS 34 2HZ LYS 34 15.345 21.696 -9.172
265 HZ3 LYS 34 3HZ LYS 34 15.158 20.847 -10.623
266 H CYS 35 H CYS 35 14.429 16.400 -11.642
267 HA CYS 35 HA CYS 35 14.267 13.929 -13.243
268 HB2 CYS 35 2HB CYS 35 12.210 16.108 -12.856
269 HB3 CYS 35 3HB CYS 35 12.090 14.874 -14.106
270 H GLU 36 H GLU 36 14.987 14.024 -15.277
271 HA GLU 36 HA GLU 36 16.028 16.559 -16.253
272 HB2 GLU 36 2HB GLU 36 17.575 14.800 -16.497
273 HB3 GLU 36 3HB GLU 36 16.353 13.696 -17.112
274 HG2 GLU 36 2HG GLU 36 16.488 14.495 -19.226
275 HG3 GLU 36 3HG GLU 36 16.880 16.132 -18.702
276 H LYS 37 H LYS 37 13.392 14.398 -16.813
277 HA LYS 37 HA LYS 37 12.427 16.172 -18.942
278 HB2 LYS 37 2HB LYS 37 13.449 13.845 -19.674
279 HB3 LYS 37 3HB LYS 37 11.876 13.245 -19.166
280 HG2 LYS 37 2HG LYS 37 10.762 14.332 -20.850
281 HG3 LYS 37 3HG LYS 37 12.004 15.574 -21.017
282 HD2 LYS 37 2HD LYS 37 13.378 14.211 -22.288
283 HD3 LYS 37 3HD LYS 37 12.642 12.728 -21.678
284 HE2 LYS 37 2HE LYS 37 10.515 13.566 -22.881
285 HE3 LYS 37 3HE LYS 37 11.615 14.636 -23.748
286 HZ1 LYS 37 1HZ LYS 37 12.461 12.946 -24.931
287 HZ2 LYS 37 2HZ LYS 37 11.020 12.156 -24.531
288 HZ3 LYS 37 3HZ LYS 37 12.424 11.857 -23.637
289 H ASP 38 H ASP 38 10.322 16.709 -18.781
290 HA ASP 38 HA ASP 38 8.902 16.111 -16.407
291 HB2 ASP 38 2HB ASP 38 8.708 18.195 -17.886
292 HB3 ASP 38 3HB ASP 38 7.658 17.226 -18.916
293 H GLY 39 H GLY 39 7.154 14.789 -16.022
294 HA2 GLY 39 2HA GLY 39 5.416 13.300 -16.647
295 HA3 GLY 39 3HA GLY 39 6.188 13.099 -18.213
296 H ASN 40 H ASN 40 8.702 12.898 -16.225
297 HA ASN 40 HA ASN 40 9.126 10.169 -16.545
298 HB2 ASN 40 2HB ASN 40 10.504 12.360 -15.370
299 HB3 ASN 40 3HB ASN 40 10.502 11.046 -14.198
300 HD21 ASN 40 1HD2 ASN 40 11.560 12.101 -17.324
301 HD22 ASN 40 2HD2 ASN 40 12.688 10.821 -17.602
302 H LYS 41 H LYS 41 9.718 8.822 -14.407
303 HA LYS 41 HA LYS 41 7.173 8.301 -13.166
304 HB2 LYS 41 2HB LYS 41 9.679 6.896 -13.547
305 HB3 LYS 41 3HB LYS 41 9.110 6.738 -11.891
306 HG2 LYS 41 2HG LYS 41 6.826 6.206 -13.142
307 HG3 LYS 41 3HG LYS 41 7.949 5.701 -14.407
308 HD2 LYS 41 2HD LYS 41 8.959 4.093 -13.008
309 HD3 LYS 41 3HD LYS 41 8.217 4.774 -11.559
310 HE2 LYS 41 2HE LYS 41 6.207 3.775 -11.953
311 HE3 LYS 41 3HE LYS 41 6.405 3.819 -13.704
312 HZ1 LYS 41 1HZ LYS 41 7.374 1.835 -11.774
313 HZ2 LYS 41 2HZ LYS 41 8.277 2.097 -13.180
314 HZ3 LYS 41 3HZ LYS 41 6.663 1.602 -13.291
315 H CYS 42 H CYS 42 6.756 8.283 -10.913
316 HA CYS 42 HA CYS 42 8.651 9.611 -9.152
317 HB2 CYS 42 2HB CYS 42 7.215 11.384 -10.290
318 HB3 CYS 42 3HB CYS 42 5.852 10.709 -9.402
319 H THR 43 H THR 43 8.036 9.484 -6.894
320 HA THR 43 HA THR 43 5.939 7.512 -6.310
321 HB THR 43 HB THR 43 8.156 7.149 -4.508
322 HG1 THR 43 HG1 THR 43 9.472 6.107 -6.261
323 HG21 THR 43 1HG2 THR 43 6.137 5.644 -5.310
324 HG22 THR 43 2HG2 THR 43 7.657 4.925 -4.777
325 HG23 THR 43 3HG2 THR 43 7.319 5.098 -6.499
326 H TYR 44 H TYR 44 4.867 7.799 -4.392
327 HA TYR 44 HA TYR 44 5.784 9.957 -2.625
328 HB2 TYR 44 2HB TYR 44 4.166 11.142 -3.798
329 HB3 TYR 44 3HB TYR 44 3.145 9.726 -4.024
330 HD1 TYR 44 HD1 TYR 44 1.603 9.012 -2.288
331 HD2 TYR 44 HD2 TYR 44 4.078 12.429 -1.737
332 HE1 TYR 44 HE1 TYR 44 0.223 9.694 -0.370
333 HE2 TYR 44 HE2 TYR 44 2.706 13.120 0.183
334 HH TYR 44 HH TYR 44 1.075 12.510 1.596
335 H ASP 45 H ASP 45 5.713 9.442 -0.534
336 HA ASP 45 HA ASP 45 4.439 6.920 0.224
337 HB2 ASP 45 2HB ASP 45 6.880 7.475 0.762
338 HB3 ASP 45 3HB ASP 45 6.243 8.596 1.961
339 H SER 46 H SER 46 2.590 6.871 1.310
340 HA SER 46 HA SER 46 1.376 9.341 2.193
341 HB2 SER 46 2HB SER 46 -0.630 8.087 2.458
342 HB3 SER 46 3HB SER 46 0.147 7.451 1.008
343 HG SER 46 HG SER 46 -0.307 5.655 2.106
344 H TYR 47 H TYR 47 3.339 6.969 3.569
345 HA TYR 47 HA TYR 47 2.280 7.113 6.243
346 HB2 TYR 47 2HB TYR 47 3.449 5.097 5.378
347 HB3 TYR 47 3HB TYR 47 4.941 6.028 5.297
348 HD1 TYR 47 HD1 TYR 47 5.933 6.919 7.436
349 HD2 TYR 47 HD2 TYR 47 2.744 4.103 7.399
350 HE1 TYR 47 HE1 TYR 47 6.430 6.334 9.773
351 HE2 TYR 47 HE2 TYR 47 3.231 3.511 9.735
352 HH TYR 47 HH TYR 47 5.841 3.906 11.226
353 H ASN 48 H ASN 48 5.070 8.444 4.512
354 HA ASN 48 HA ASN 48 5.590 10.200 6.817
355 HB2 ASN 48 2HB ASN 48 7.728 10.428 5.013
356 HB3 ASN 48 3HB ASN 48 7.723 9.572 6.552
357 HD21 ASN 48 1HD2 ASN 48 8.225 9.289 3.293
358 HD22 ASN 48 2HD2 ASN 48 8.125 7.570 3.146
359 H ARG 49 H ARG 49 3.998 10.224 3.980
360 HA ARG 49 HA ARG 49 3.310 11.816 2.502
361 HB2 ARG 49 2HB ARG 49 3.997 13.608 4.838
362 HB3 ARG 49 3HB ARG 49 3.064 14.107 3.434
363 HG2 ARG 49 2HG ARG 49 1.361 12.426 3.987
364 HG3 ARG 49 3HG ARG 49 2.290 11.981 5.419
365 HD2 ARG 49 2HD ARG 49 2.089 14.678 5.718
366 HD3 ARG 49 3HD ARG 49 0.557 14.298 4.932
367 HE ARG 49 HE ARG 49 1.178 12.581 7.152
368 HH11 ARG 49 1HH1 ARG 49 -0.258 15.598 6.175
369 HH12 ARG 49 2HH1 ARG 49 -1.283 15.711 7.568
370 HH21 ARG 49 1HH2 ARG 49 -0.166 12.719 8.990
371 HH22 ARG 49 2HH2 ARG 49 -1.229 14.073 9.169
372 H LYS 50 H LYS 50 6.144 11.054 2.488
373 HA LYS 50 HA LYS 50 7.338 13.525 1.422
374 HB2 LYS 50 2HB LYS 50 8.806 12.812 3.073
375 HB3 LYS 50 3HB LYS 50 8.505 11.110 2.749
376 HG2 LYS 50 2HG LYS 50 9.999 11.030 1.019
377 HG3 LYS 50 3HG LYS 50 9.830 12.747 0.648
378 HD2 LYS 50 2HD LYS 50 11.795 12.978 1.700
379 HD3 LYS 50 3HD LYS 50 10.860 12.796 3.185
380 HE2 LYS 50 2HE LYS 50 12.040 10.469 1.683
381 HE3 LYS 50 3HE LYS 50 12.898 11.318 2.968
382 HZ1 LYS 50 1HZ LYS 50 11.903 9.850 4.300
383 HZ2 LYS 50 2HZ LYS 50 10.747 9.413 3.145
384 HZ3 LYS 50 3HZ LYS 50 10.508 10.788 4.102
385 H VAL 51 H VAL 51 8.183 13.566 -0.628
386 HA VAL 51 HA VAL 51 7.382 11.347 -2.364
387 HB VAL 51 HB VAL 51 8.413 14.006 -3.316
388 HG11 VAL 51 1HG1 VAL 51 7.116 13.494 -5.297
389 HG12 VAL 51 2HG1 VAL 51 8.211 12.159 -4.933
390 HG13 VAL 51 3HG1 VAL 51 6.496 12.026 -4.542
391 HG21 VAL 51 1HG2 VAL 51 6.139 14.844 -3.371
392 HG22 VAL 51 2HG2 VAL 51 5.544 13.346 -2.656
393 HG23 VAL 51 3HG2 VAL 51 6.583 14.417 -1.718
394 H LYS 52 H LYS 52 8.821 10.000 -3.219
395 HA LYS 52 HA LYS 52 11.666 10.765 -3.140
396 HB2 LYS 52 2HB LYS 52 11.232 8.949 -1.602
397 HB3 LYS 52 3HB LYS 52 10.394 8.039 -2.852
398 HG2 LYS 52 2HG LYS 52 12.500 7.866 -4.109
399 HG3 LYS 52 3HG LYS 52 13.326 8.723 -2.806
400 HD2 LYS 52 2HD LYS 52 12.509 6.904 -1.257
401 HD3 LYS 52 3HD LYS 52 12.004 6.019 -2.698
402 HE2 LYS 52 2HE LYS 52 14.774 7.046 -2.690
403 HE3 LYS 52 3HE LYS 52 14.422 5.747 -1.551
404 HZ1 LYS 52 1HZ LYS 52 14.607 5.672 -4.430
405 HZ2 LYS 52 2HZ LYS 52 13.266 4.851 -3.805
406 HZ3 LYS 52 3HZ LYS 52 14.825 4.433 -3.298
407 H CYS 53 H CYS 53 12.550 11.072 -5.066
408 HA CYS 53 HA CYS 53 11.430 9.623 -7.376
409 HB2 CYS 53 2HB CYS 53 12.764 12.339 -7.347
410 HB3 CYS 53 3HB CYS 53 12.132 11.518 -8.770
411 H ASP 54 H ASP 54 12.811 8.618 -8.779
412 HA ASP 54 HA ASP 54 15.693 8.859 -8.310
413 HB2 ASP 54 2HB ASP 54 15.632 6.228 -8.694
414 HB3 ASP 54 3HB ASP 54 15.477 6.933 -7.087
415 H PHE 55 H PHE 55 16.995 8.329 -10.089
416 HA PHE 55 HA PHE 55 15.545 7.924 -12.621
417 HB2 PHE 55 2HB PHE 55 17.328 10.084 -11.817
418 HB3 PHE 55 3HB PHE 55 17.861 9.296 -13.298
419 HD1 PHE 55 HD1 PHE 55 17.334 10.708 -15.042
420 HD2 PHE 55 HD2 PHE 55 14.441 9.995 -12.002
421 HE1 PHE 55 HE1 PHE 55 15.675 11.996 -16.323
422 HE2 PHE 55 HE2 PHE 55 12.777 11.281 -13.279
423 HZ PHE 55 HZ PHE 55 13.392 12.283 -15.443
424 H ARG 56 H ARG 56 17.147 7.264 -14.416
425 HA ARG 56 HA ARG 56 19.336 5.606 -13.438
426 HB2 ARG 56 2HB ARG 56 16.896 4.552 -14.853
427 HB3 ARG 56 3HB ARG 56 18.436 3.706 -14.919
428 HG2 ARG 56 2HG ARG 56 18.416 3.671 -12.412
429 HG3 ARG 56 3HG ARG 56 16.764 4.287 -12.490
430 HD2 ARG 56 2HD ARG 56 16.157 2.134 -12.549
431 HD3 ARG 56 3HD ARG 56 16.680 2.181 -14.232
432 HE ARG 56 HE ARG 56 18.374 0.770 -13.668
433 HH11 ARG 56 1HH1 ARG 56 17.334 2.441 -10.796
434 HH12 ARG 56 2HH1 ARG 56 18.392 1.561 -9.743
435 HH21 ARG 56 1HH2 ARG 56 19.771 -0.395 -12.292
436 HH22 ARG 56 2HH2 ARG 56 19.778 -0.051 -10.596
437 H HIS 57 H HIS 57 20.886 5.105 -15.008
438 HA HIS 57 HA HIS 57 22.158 5.451 -16.862
439 HB2 HIS 57 2HB HIS 57 19.603 4.801 -17.805
440 HB3 HIS 57 3HB HIS 57 20.091 6.207 -18.746
441 HD1 HIS 57 HD1 HIS 57 21.673 5.799 -20.634
442 HD2 HIS 57 HD2 HIS 57 21.491 2.588 -18.004
443 HE1 HIS 57 HE1 HIS 57 23.014 3.967 -21.716
Start of MODEL 4
1 H1 LEU 1 H LEU 1 5.606 -1.909 -1.957
2 HA LEU 1 HA LEU 1 4.018 -1.505 -3.695
3 HB2 LEU 1 2HB LEU 1 2.044 -1.502 -1.417
4 HB3 LEU 1 3HB LEU 1 1.648 -1.151 -3.098
5 HG LEU 1 HG LEU 1 2.595 -3.790 -1.983
6 HD11 LEU 1 1HD1 LEU 1 0.361 -3.650 -1.416
7 HD12 LEU 1 2HD1 LEU 1 0.293 -4.426 -2.997
8 HD13 LEU 1 3HD1 LEU 1 -0.053 -2.704 -2.845
9 HD21 LEU 1 1HD2 LEU 1 3.527 -3.548 -4.168
10 HD22 LEU 1 2HD2 LEU 1 2.007 -2.926 -4.810
11 HD23 LEU 1 3HD2 LEU 1 2.125 -4.610 -4.297
12 H GLU 2 H GLU 2 2.473 0.539 -3.961
13 HA GLU 2 HA GLU 2 2.729 2.731 -2.250
14 HB2 GLU 2 2HB GLU 2 5.137 2.170 -3.583
15 HB3 GLU 2 3HB GLU 2 4.443 3.548 -4.425
16 HG2 GLU 2 2HG GLU 2 5.412 4.783 -2.853
17 HG3 GLU 2 3HG GLU 2 4.104 4.240 -1.803
18 H TYR 3 H TYR 3 2.392 4.875 -3.549
19 HA TYR 3 HA TYR 3 0.161 4.370 -5.330
20 HB2 TYR 3 2HB TYR 3 1.249 6.815 -3.961
21 HB3 TYR 3 3HB TYR 3 0.051 6.958 -5.242
22 HD1 TYR 3 HD1 TYR 3 -2.069 5.392 -4.926
23 HD2 TYR 3 HD2 TYR 3 0.500 6.665 -1.783
24 HE1 TYR 3 HE1 TYR 3 -3.866 4.978 -3.297
25 HE2 TYR 3 HE2 TYR 3 -1.289 6.254 -0.146
26 HH TYR 3 HH TYR 3 -4.332 4.757 -1.086
27 H LYS 4 H LYS 4 0.006 5.012 -7.455
28 HA LYS 4 HA LYS 4 2.514 5.252 -8.872
29 HB2 LYS 4 2HB LYS 4 -0.341 5.122 -9.856
30 HB3 LYS 4 3HB LYS 4 1.072 5.147 -10.903
31 HG2 LYS 4 2HG LYS 4 0.350 3.013 -8.906
32 HG3 LYS 4 3HG LYS 4 0.277 2.890 -10.665
33 HD2 LYS 4 2HD LYS 4 2.801 3.479 -10.560
34 HD3 LYS 4 3HD LYS 4 2.673 2.984 -8.870
35 HE2 LYS 4 2HE LYS 4 2.850 0.861 -9.493
36 HE3 LYS 4 3HE LYS 4 1.366 1.019 -10.430
37 HZ1 LYS 4 1HZ LYS 4 3.020 2.099 -12.139
38 HZ2 LYS 4 2HZ LYS 4 2.807 0.423 -12.063
39 HZ3 LYS 4 3HZ LYS 4 4.149 1.139 -11.323
40 H GLY 5 H GLY 5 3.454 7.185 -9.013
41 HA2 GLY 5 2HA GLY 5 1.763 9.479 -9.772
42 HA3 GLY 5 3HA GLY 5 2.950 9.636 -8.486
43 H GLU 6 H GLU 6 2.849 11.186 -10.885
44 HA GLU 6 HA GLU 6 5.271 10.256 -12.277
45 HB2 GLU 6 2HB GLU 6 3.402 12.378 -13.304
46 HB3 GLU 6 3HB GLU 6 4.582 11.434 -14.202
47 HG2 GLU 6 2HG GLU 6 1.923 10.560 -13.131
48 HG3 GLU 6 3HG GLU 6 2.486 10.573 -14.801
49 H CYS 7 H CYS 7 6.652 12.097 -13.128
50 HA CYS 7 HA CYS 7 6.843 14.216 -11.088
51 HB2 CYS 7 2HB CYS 7 8.993 13.704 -10.716
52 HB3 CYS 7 3HB CYS 7 8.706 12.222 -11.622
53 H PHE 8 H PHE 8 7.913 16.206 -11.824
54 HA PHE 8 HA PHE 8 7.164 16.797 -14.601
55 HB2 PHE 8 2HB PHE 8 6.918 18.237 -12.099
56 HB3 PHE 8 3HB PHE 8 7.764 19.204 -13.303
57 HD1 PHE 8 HD1 PHE 8 4.601 17.713 -12.328
58 HD2 PHE 8 HD2 PHE 8 6.658 19.824 -15.399
59 HE1 PHE 8 HE1 PHE 8 2.448 18.291 -13.368
60 HE2 PHE 8 HE2 PHE 8 4.508 20.406 -16.443
61 HZ PHE 8 HZ PHE 8 2.399 19.641 -15.427
62 H THR 9 H THR 9 8.541 18.673 -15.542
63 HA THR 9 HA THR 9 11.060 17.755 -16.142
64 HB THR 9 HB THR 9 11.239 20.577 -16.263
65 HG1 THR 9 HG1 THR 9 9.253 21.143 -17.137
66 HG21 THR 9 1HG2 THR 9 10.206 19.085 -18.602
67 HG22 THR 9 2HG2 THR 9 11.721 18.510 -17.906
68 HG23 THR 9 3HG2 THR 9 11.586 20.174 -18.471
69 H LYS 10 H LYS 10 13.046 19.436 -15.767
70 HA LYS 10 HA LYS 10 14.013 18.907 -13.217
71 HB2 LYS 10 2HB LYS 10 15.026 20.017 -15.545
72 HB3 LYS 10 3HB LYS 10 15.150 21.329 -14.381
73 HG2 LYS 10 2HG LYS 10 17.021 20.416 -13.638
74 HG3 LYS 10 3HG LYS 10 16.073 19.049 -13.049
75 HD2 LYS 10 2HD LYS 10 17.298 17.803 -14.446
76 HD3 LYS 10 3HD LYS 10 16.328 18.515 -15.737
77 HE2 LYS 10 2HE LYS 10 18.928 19.636 -14.698
78 HE3 LYS 10 3HE LYS 10 18.757 18.666 -16.160
79 HZ1 LYS 10 1HZ LYS 10 17.446 21.288 -15.682
80 HZ2 LYS 10 2HZ LYS 10 17.334 20.365 -17.095
81 HZ3 LYS 10 3HZ LYS 10 18.817 21.041 -16.643
82 H ASP 11 H ASP 11 11.531 20.914 -13.937
83 HA ASP 11 HA ASP 11 12.061 23.183 -12.324
84 HB2 ASP 11 2HB ASP 11 9.707 22.016 -13.684
85 HB3 ASP 11 3HB ASP 11 9.356 23.045 -12.299
86 H ASN 12 H ASN 12 11.738 20.022 -11.450
87 HA ASN 12 HA ASN 12 11.483 18.957 -9.456
88 HB2 ASN 12 2HB ASN 12 12.561 21.443 -8.814
89 HB3 ASN 12 3HB ASN 12 11.187 21.278 -7.724
90 HD21 ASN 12 1HD2 ASN 12 13.286 18.765 -9.037
91 HD22 ASN 12 2HD2 ASN 12 13.900 18.232 -7.512
92 H THR 13 H THR 13 9.449 18.130 -9.874
93 HA THR 13 HA THR 13 7.357 19.011 -8.154
94 HB THR 13 HB THR 13 5.972 19.046 -10.608
95 HG1 THR 13 HG1 THR 13 8.316 19.698 -11.240
96 HG21 THR 13 1HG2 THR 13 6.722 21.339 -8.788
97 HG22 THR 13 2HG2 THR 13 5.365 20.240 -8.543
98 HG23 THR 13 3HG2 THR 13 5.386 21.316 -9.939
99 H CYS 14 H CYS 14 5.530 17.574 -8.152
100 HA CYS 14 HA CYS 14 5.694 15.187 -9.805
101 HB2 CYS 14 2HB CYS 14 6.359 15.264 -6.915
102 HB3 CYS 14 3HB CYS 14 5.337 13.934 -7.449
103 H LYS 15 H LYS 15 3.758 14.069 -9.973
104 HA LYS 15 HA LYS 15 1.458 15.249 -8.561
105 HB2 LYS 15 2HB LYS 15 1.415 16.062 -10.834
106 HB3 LYS 15 3HB LYS 15 1.645 14.437 -11.465
107 HG2 LYS 15 2HG LYS 15 -0.662 15.154 -11.710
108 HG3 LYS 15 3HG LYS 15 -0.541 13.783 -10.605
109 HD2 LYS 15 2HD LYS 15 -1.599 14.965 -9.048
110 HD3 LYS 15 3HD LYS 15 -0.284 16.142 -9.061
111 HE2 LYS 15 2HE LYS 15 -2.405 17.244 -9.476
112 HE3 LYS 15 3HE LYS 15 -1.384 17.326 -10.911
113 HZ1 LYS 15 1HZ LYS 15 -2.912 15.004 -11.096
114 HZ2 LYS 15 2HZ LYS 15 -3.014 16.394 -12.054
115 HZ3 LYS 15 3HZ LYS 15 -3.968 16.253 -10.664
116 H TYR 16 H TYR 16 0.607 13.776 -7.258
117 HA TYR 16 HA TYR 16 0.517 10.976 -8.176
118 HB2 TYR 16 2HB TYR 16 0.844 10.218 -5.949
119 HB3 TYR 16 3HB TYR 16 2.055 11.466 -6.219
120 HD1 TYR 16 HD1 TYR 16 1.294 13.900 -5.494
121 HD2 TYR 16 HD2 TYR 16 -0.380 10.288 -3.992
122 HE1 TYR 16 HE1 TYR 16 0.506 15.102 -3.499
123 HE2 TYR 16 HE2 TYR 16 -1.174 11.481 -1.993
124 HH TYR 16 HH TYR 16 -0.307 14.833 -1.388
125 H LYS 17 H LYS 17 -1.332 9.755 -7.642
126 HA LYS 17 HA LYS 17 -3.687 11.385 -6.945
127 HB2 LYS 17 2HB LYS 17 -3.849 10.685 -9.236
128 HB3 LYS 17 3HB LYS 17 -3.434 9.029 -8.816
129 HG2 LYS 17 2HG LYS 17 -5.532 8.804 -7.593
130 HG3 LYS 17 3HG LYS 17 -5.948 10.472 -7.997
131 HD2 LYS 17 2HD LYS 17 -6.995 9.579 -9.768
132 HD3 LYS 17 3HD LYS 17 -5.377 9.408 -10.453
133 HE2 LYS 17 2HE LYS 17 -5.367 7.153 -9.148
134 HE3 LYS 17 3HE LYS 17 -7.118 7.353 -9.155
135 HZ1 LYS 17 1HZ LYS 17 -6.948 7.610 -11.614
136 HZ2 LYS 17 2HZ LYS 17 -6.534 6.073 -11.044
137 HZ3 LYS 17 3HZ LYS 17 -5.321 7.159 -11.506
138 H ILE 18 H ILE 18 -5.054 10.668 -5.386
139 HA ILE 18 HA ILE 18 -4.472 8.047 -4.175
140 HB ILE 18 HB ILE 18 -5.221 10.537 -2.642
141 HG12 ILE 18 2HG1 ILE 18 -2.945 10.704 -3.557
142 HG13 ILE 18 3HG1 ILE 18 -2.916 10.516 -1.807
143 HG21 ILE 18 1HG2 ILE 18 -4.877 7.684 -1.940
144 HG22 ILE 18 2HG2 ILE 18 -4.246 8.871 -0.800
145 HG23 ILE 18 3HG2 ILE 18 -5.950 8.901 -1.251
146 HD11 ILE 18 1HD1 ILE 18 -1.758 8.858 -3.866
147 HD12 ILE 18 2HD1 ILE 18 -1.446 8.892 -2.130
148 HD13 ILE 18 3HD1 ILE 18 -2.776 7.926 -2.768
149 H ASP 19 H ASP 19 -6.220 6.932 -3.275
150 HA ASP 19 HA ASP 19 -8.625 7.006 -4.604
151 HB2 ASP 19 2HB ASP 19 -7.790 5.885 -1.956
152 HB3 ASP 19 3HB ASP 19 -9.493 5.846 -2.406
153 H GLY 20 H GLY 20 -10.188 8.470 -4.682
154 HA2 GLY 20 2HA GLY 20 -11.966 9.631 -3.522
155 HA3 GLY 20 3HA GLY 20 -10.831 9.965 -2.223
156 H LYS 21 H LYS 21 -8.993 11.406 -2.765
157 HA LYS 21 HA LYS 21 -9.724 13.361 -4.844
158 HB2 LYS 21 2HB LYS 21 -8.926 13.824 -1.984
159 HB3 LYS 21 3HB LYS 21 -8.654 15.061 -3.205
160 HG2 LYS 21 2HG LYS 21 -11.327 13.838 -2.547
161 HG3 LYS 21 3HG LYS 21 -10.742 15.395 -1.956
162 HD2 LYS 21 2HD LYS 21 -11.190 14.643 -4.845
163 HD3 LYS 21 3HD LYS 21 -12.226 15.689 -3.870
164 HE2 LYS 21 2HE LYS 21 -9.928 16.977 -3.519
165 HE3 LYS 21 3HE LYS 21 -9.562 16.222 -5.069
166 HZ1 LYS 21 1HZ LYS 21 -10.870 18.548 -4.775
167 HZ2 LYS 21 2HZ LYS 21 -12.162 17.468 -4.929
168 HZ3 LYS 21 3HZ LYS 21 -10.984 17.554 -6.140
169 H THR 22 H THR 22 -8.008 14.454 -5.858
170 HA THR 22 HA THR 22 -5.447 13.032 -5.675
171 HB THR 22 HB THR 22 -6.532 14.799 -7.876
172 HG1 THR 22 HG1 THR 22 -7.524 12.921 -8.206
173 HG21 THR 22 1HG2 THR 22 -4.572 13.935 -9.162
174 HG22 THR 22 2HG2 THR 22 -3.944 13.261 -7.658
175 HG23 THR 22 3HG2 THR 22 -4.139 15.005 -7.830
176 H TYR 23 H TYR 23 -3.536 14.076 -5.304
177 HA TYR 23 HA TYR 23 -3.626 16.983 -4.881
178 HB2 TYR 23 2HB TYR 23 -2.016 15.282 -3.020
179 HB3 TYR 23 3HB TYR 23 -2.698 16.884 -2.761
180 HD1 TYR 23 HD1 TYR 23 -4.847 17.157 -1.799
181 HD2 TYR 23 HD2 TYR 23 -3.521 13.282 -2.950
182 HE1 TYR 23 HE1 TYR 23 -6.755 16.158 -0.611
183 HE2 TYR 23 HE2 TYR 23 -5.425 12.272 -1.766
184 HH TYR 23 HH TYR 23 -7.030 12.714 -0.147
185 H LEU 24 H LEU 24 -1.337 17.868 -4.601
186 HA LEU 24 HA LEU 24 0.354 16.633 -6.656
187 HB2 LEU 24 2HB LEU 24 -0.441 19.001 -6.911
188 HB3 LEU 24 3HB LEU 24 0.555 19.413 -5.517
189 HG LEU 24 HG LEU 24 2.508 18.460 -6.906
190 HD11 LEU 24 1HD1 LEU 24 2.124 18.800 -9.368
191 HD12 LEU 24 2HD1 LEU 24 0.396 18.828 -9.017
192 HD13 LEU 24 3HD1 LEU 24 1.343 17.383 -8.667
193 HD21 LEU 24 1HD2 LEU 24 2.318 20.800 -6.365
194 HD22 LEU 24 2HD2 LEU 24 1.122 21.036 -7.640
195 HD23 LEU 24 3HD2 LEU 24 2.788 20.633 -8.057
196 H ALA 25 H ALA 25 2.573 16.334 -6.332
197 HA ALA 25 HA ALA 25 3.453 16.455 -3.520
198 HB1 ALA 25 1HB ALA 25 3.243 14.187 -5.261
199 HB2 ALA 25 2HB ALA 25 4.927 14.438 -4.797
200 HB3 ALA 25 3HB ALA 25 3.689 14.249 -3.556
201 H LYS 26 H LYS 26 5.684 16.836 -3.154
202 HA LYS 26 HA LYS 26 7.019 18.179 -5.409
203 HB2 LYS 26 2HB LYS 26 6.345 19.298 -3.053
204 HB3 LYS 26 3HB LYS 26 7.939 18.682 -2.636
205 HG2 LYS 26 2HG LYS 26 7.446 20.388 -5.058
206 HG3 LYS 26 3HG LYS 26 7.832 21.061 -3.472
207 HD2 LYS 26 2HD LYS 26 9.730 19.061 -3.890
208 HD3 LYS 26 3HD LYS 26 9.579 19.877 -5.448
209 HE2 LYS 26 2HE LYS 26 11.280 20.998 -4.211
210 HE3 LYS 26 3HE LYS 26 9.865 22.049 -4.239
211 HZ1 LYS 26 1HZ LYS 26 11.236 21.373 -2.025
212 HZ2 LYS 26 2HZ LYS 26 9.964 20.259 -1.980
213 HZ3 LYS 26 3HZ LYS 26 9.634 21.917 -2.033
214 H CYS 27 H CYS 27 9.169 17.767 -5.848
215 HA CYS 27 HA CYS 27 10.290 15.397 -4.506
216 HB2 CYS 27 2HB CYS 27 10.277 16.307 -7.341
217 HB3 CYS 27 3HB CYS 27 11.710 15.460 -6.767
218 HA PRO 28 HA PRO 28 13.848 17.598 -3.191
219 HB2 PRO 28 2HB PRO 28 15.864 15.848 -3.687
220 HB3 PRO 28 3HB PRO 28 14.681 15.611 -2.395
221 HG2 PRO 28 2HG PRO 28 14.767 14.399 -5.131
222 HG3 PRO 28 3HG PRO 28 14.393 13.630 -3.578
223 HD2 PRO 28 2HD PRO 28 12.471 14.384 -5.329
224 HD3 PRO 28 3HD PRO 28 12.223 14.407 -3.572
225 H SER 29 H SER 29 15.532 18.905 -3.881
226 HA SER 29 HA SER 29 15.629 19.418 -6.714
227 HB2 SER 29 2HB SER 29 17.389 21.168 -5.861
228 HB3 SER 29 3HB SER 29 15.677 21.406 -5.513
229 HG SER 29 HG SER 29 17.770 20.769 -3.809
230 H ALA 30 H ALA 30 17.233 17.322 -4.697
231 HA ALA 30 HA ALA 30 19.902 17.433 -5.369
232 HB1 ALA 30 1HB ALA 30 19.901 15.642 -4.063
233 HB2 ALA 30 2HB ALA 30 18.145 15.528 -4.196
234 HB3 ALA 30 3HB ALA 30 19.174 14.697 -5.362
235 H ALA 31 H ALA 31 21.120 16.939 -7.106
236 HA ALA 31 HA ALA 31 19.929 16.752 -9.658
237 HB1 ALA 31 1HB ALA 31 22.361 17.492 -8.797
238 HB2 ALA 31 2HB ALA 31 22.732 15.870 -9.384
239 HB3 ALA 31 3HB ALA 31 22.014 17.059 -10.471
240 H ASN 32 H ASN 32 20.884 14.368 -7.344
241 HA ASN 32 HA ASN 32 20.970 12.196 -9.246
242 HB2 ASN 32 2HB ASN 32 22.248 12.435 -6.972
243 HB3 ASN 32 3HB ASN 32 20.760 11.793 -6.282
244 HD21 ASN 32 1HD2 ASN 32 23.109 11.154 -8.854
245 HD22 ASN 32 2HD2 ASN 32 23.058 9.433 -8.709
246 H THR 33 H THR 33 18.615 13.764 -7.284
247 HA THR 33 HA THR 33 16.671 11.635 -7.906
248 HB THR 33 HB THR 33 15.340 12.619 -5.965
249 HG1 THR 33 HG1 THR 33 16.783 14.536 -5.882
250 HG21 THR 33 1HG2 THR 33 17.771 11.583 -4.704
251 HG22 THR 33 2HG2 THR 33 17.200 10.611 -6.060
252 HG23 THR 33 3HG2 THR 33 16.130 10.940 -4.698
253 H LYS 34 H LYS 34 17.582 14.216 -9.313
254 HA LYS 34 HA LYS 34 15.116 15.755 -9.355
255 HB2 LYS 34 2HB LYS 34 17.890 16.154 -10.241
256 HB3 LYS 34 3HB LYS 34 16.683 16.802 -11.344
257 HG2 LYS 34 2HG LYS 34 16.051 17.494 -8.622
258 HG3 LYS 34 3HG LYS 34 17.689 18.002 -9.042
259 HD2 LYS 34 2HD LYS 34 16.696 19.016 -11.137
260 HD3 LYS 34 3HD LYS 34 15.110 18.726 -10.418
261 HE2 LYS 34 2HE LYS 34 15.457 20.267 -8.722
262 HE3 LYS 34 3HE LYS 34 17.211 20.191 -8.875
263 HZ1 LYS 34 1HZ LYS 34 15.274 21.614 -10.589
264 HZ2 LYS 34 2HZ LYS 34 16.817 21.224 -11.161
265 HZ3 LYS 34 3HZ LYS 34 16.645 22.225 -9.808
266 H CYS 35 H CYS 35 14.477 16.485 -11.707
267 HA CYS 35 HA CYS 35 14.227 14.040 -13.334
268 HB2 CYS 35 2HB CYS 35 12.247 16.284 -12.909
269 HB3 CYS 35 3HB CYS 35 12.055 15.027 -14.127
270 H GLU 36 H GLU 36 14.696 14.145 -15.468
271 HA GLU 36 HA GLU 36 15.936 16.600 -16.421
272 HB2 GLU 36 2HB GLU 36 17.247 14.666 -16.823
273 HB3 GLU 36 3HB GLU 36 15.872 13.771 -17.453
274 HG2 GLU 36 2HG GLU 36 17.538 14.555 -19.154
275 HG3 GLU 36 3HG GLU 36 15.862 15.004 -19.462
276 H LYS 37 H LYS 37 13.112 14.638 -16.974
277 HA LYS 37 HA LYS 37 12.052 16.708 -18.739
278 HB2 LYS 37 2HB LYS 37 13.117 14.618 -19.968
279 HB3 LYS 37 3HB LYS 37 11.580 13.873 -19.548
280 HG2 LYS 37 2HG LYS 37 10.384 15.624 -20.735
281 HG3 LYS 37 3HG LYS 37 11.911 16.419 -21.123
282 HD2 LYS 37 2HD LYS 37 12.119 13.710 -21.932
283 HD3 LYS 37 3HD LYS 37 10.578 14.330 -22.528
284 HE2 LYS 37 2HE LYS 37 11.614 16.040 -23.752
285 HE3 LYS 37 3HE LYS 37 13.132 15.869 -22.872
286 HZ1 LYS 37 1HZ LYS 37 12.031 13.762 -24.645
287 HZ2 LYS 37 2HZ LYS 37 13.579 13.832 -23.968
288 HZ3 LYS 37 3HZ LYS 37 13.131 14.935 -25.169
289 H ASP 38 H ASP 38 9.828 16.927 -18.668
290 HA ASP 38 HA ASP 38 8.540 16.034 -16.312
291 HB2 ASP 38 2HB ASP 38 6.668 17.284 -17.027
292 HB3 ASP 38 3HB ASP 38 8.063 18.157 -17.656
293 H GLY 39 H GLY 39 6.801 14.602 -16.041
294 HA2 GLY 39 2HA GLY 39 5.256 12.964 -16.788
295 HA3 GLY 39 3HA GLY 39 6.151 12.844 -18.295
296 H ASN 40 H ASN 40 8.554 12.853 -16.194
297 HA ASN 40 HA ASN 40 9.207 10.162 -16.457
298 HB2 ASN 40 2HB ASN 40 10.364 12.469 -15.275
299 HB3 ASN 40 3HB ASN 40 10.404 11.189 -14.066
300 HD21 ASN 40 1HD2 ASN 40 11.414 12.133 -17.273
301 HD22 ASN 40 2HD2 ASN 40 12.688 10.976 -17.422
302 H LYS 41 H LYS 41 9.821 8.902 -14.267
303 HA LYS 41 HA LYS 41 7.266 8.225 -13.104
304 HB2 LYS 41 2HB LYS 41 9.761 6.904 -13.542
305 HB3 LYS 41 3HB LYS 41 9.380 6.815 -11.827
306 HG2 LYS 41 2HG LYS 41 7.634 5.899 -14.103
307 HG3 LYS 41 3HG LYS 41 8.517 4.876 -12.968
308 HD2 LYS 41 2HD LYS 41 7.122 6.296 -11.206
309 HD3 LYS 41 3HD LYS 41 6.025 6.446 -12.581
310 HE2 LYS 41 2HE LYS 41 7.006 3.913 -11.276
311 HE3 LYS 41 3HE LYS 41 5.357 4.537 -11.305
312 HZ1 LYS 41 1HZ LYS 41 6.833 3.101 -13.355
313 HZ2 LYS 41 2HZ LYS 41 5.849 4.362 -13.905
314 HZ3 LYS 41 3HZ LYS 41 5.177 3.095 -13.007
315 H CYS 42 H CYS 42 6.804 8.183 -10.861
316 HA CYS 42 HA CYS 42 8.596 9.562 -9.043
317 HB2 CYS 42 2HB CYS 42 7.178 11.315 -10.234
318 HB3 CYS 42 3HB CYS 42 5.793 10.622 -9.396
319 H THR 43 H THR 43 7.904 9.420 -6.810
320 HA THR 43 HA THR 43 5.787 7.457 -6.291
321 HB THR 43 HB THR 43 7.986 7.030 -4.472
322 HG1 THR 43 HG1 THR 43 9.609 6.775 -5.810
323 HG21 THR 43 1HG2 THR 43 6.336 5.393 -6.363
324 HG22 THR 43 2HG2 THR 43 6.402 5.335 -4.601
325 HG23 THR 43 3HG2 THR 43 7.733 4.683 -5.556
326 H TYR 44 H TYR 44 4.706 7.720 -4.371
327 HA TYR 44 HA TYR 44 5.640 9.827 -2.553
328 HB2 TYR 44 2HB TYR 44 4.076 11.075 -3.737
329 HB3 TYR 44 3HB TYR 44 3.017 9.693 -3.997
330 HD1 TYR 44 HD1 TYR 44 1.463 8.970 -2.258
331 HD2 TYR 44 HD2 TYR 44 3.967 12.363 -1.692
332 HE1 TYR 44 HE1 TYR 44 0.079 9.665 -0.348
333 HE2 TYR 44 HE2 TYR 44 2.590 13.067 0.221
334 HH TYR 44 HH TYR 44 0.108 11.025 1.550
335 H ASP 45 H ASP 45 5.506 9.280 -0.472
336 HA ASP 45 HA ASP 45 4.166 6.771 0.210
337 HB2 ASP 45 2HB ASP 45 6.605 7.285 0.817
338 HB3 ASP 45 3HB ASP 45 5.948 8.381 2.030
339 H SER 46 H SER 46 2.278 6.748 1.226
340 HA SER 46 HA SER 46 1.098 9.223 2.137
341 HB2 SER 46 2HB SER 46 -0.561 7.995 1.138
342 HB3 SER 46 3HB SER 46 0.143 6.452 1.622
343 HG SER 46 HG SER 46 -1.819 7.832 2.797
344 H TYR 47 H TYR 47 2.959 6.766 3.510
345 HA TYR 47 HA TYR 47 1.825 6.871 6.155
346 HB2 TYR 47 2HB TYR 47 3.011 4.866 5.210
347 HB3 TYR 47 3HB TYR 47 4.516 5.772 5.325
348 HD1 TYR 47 HD1 TYR 47 5.272 6.556 7.619
349 HD2 TYR 47 HD2 TYR 47 2.154 3.714 7.070
350 HE1 TYR 47 HE1 TYR 47 5.543 5.817 9.950
351 HE2 TYR 47 HE2 TYR 47 2.415 2.968 9.399
352 HH TYR 47 HH TYR 47 3.544 3.203 11.292
353 H ASN 48 H ASN 48 4.696 8.179 4.541
354 HA ASN 48 HA ASN 48 5.185 9.865 6.904
355 HB2 ASN 48 2HB ASN 48 7.382 10.083 5.169
356 HB3 ASN 48 3HB ASN 48 7.311 9.198 6.690
357 HD21 ASN 48 1HD2 ASN 48 7.902 8.966 3.440
358 HD22 ASN 48 2HD2 ASN 48 7.768 7.253 3.257
359 H ARG 49 H ARG 49 3.676 9.999 4.029
360 HA ARG 49 HA ARG 49 3.065 11.642 2.574
361 HB2 ARG 49 2HB ARG 49 3.680 13.247 5.052
362 HB3 ARG 49 3HB ARG 49 3.011 13.975 3.598
363 HG2 ARG 49 2HG ARG 49 1.321 11.868 4.014
364 HG3 ARG 49 3HG ARG 49 1.718 12.369 5.659
365 HD2 ARG 49 2HD ARG 49 1.281 14.770 4.500
366 HD3 ARG 49 3HD ARG 49 0.178 13.759 3.567
367 HE ARG 49 HE ARG 49 -1.171 13.625 5.401
368 HH11 ARG 49 1HH1 ARG 49 2.007 14.614 6.421
369 HH12 ARG 49 2HH1 ARG 49 1.535 14.895 8.064
370 HH21 ARG 49 1HH2 ARG 49 -1.806 13.992 7.562
371 HH22 ARG 49 2HH2 ARG 49 -0.634 14.540 8.712
372 H LYS 50 H LYS 50 5.880 10.799 2.616
373 HA LYS 50 HA LYS 50 7.165 13.255 1.622
374 HB2 LYS 50 2HB LYS 50 8.572 12.478 3.296
375 HB3 LYS 50 3HB LYS 50 8.235 10.789 2.938
376 HG2 LYS 50 2HG LYS 50 9.755 10.703 1.223
377 HG3 LYS 50 3HG LYS 50 9.665 12.438 0.912
378 HD2 LYS 50 2HD LYS 50 11.753 12.182 1.908
379 HD3 LYS 50 3HD LYS 50 10.726 12.685 3.252
380 HE2 LYS 50 2HE LYS 50 11.821 10.914 4.207
381 HE3 LYS 50 3HE LYS 50 10.404 10.095 3.551
382 HZ1 LYS 50 1HZ LYS 50 11.618 9.100 1.917
383 HZ2 LYS 50 2HZ LYS 50 12.800 9.184 3.123
384 HZ3 LYS 50 3HZ LYS 50 12.793 10.317 1.867
385 H VAL 51 H VAL 51 8.090 13.295 -0.400
386 HA VAL 51 HA VAL 51 7.244 11.148 -2.202
387 HB VAL 51 HB VAL 51 8.398 13.827 -2.974
388 HG11 VAL 51 1HG1 VAL 51 7.517 13.393 -5.133
389 HG12 VAL 51 2HG1 VAL 51 8.377 11.933 -4.639
390 HG13 VAL 51 3HG1 VAL 51 6.615 11.991 -4.559
391 HG21 VAL 51 1HG2 VAL 51 5.483 13.089 -2.747
392 HG22 VAL 51 2HG2 VAL 51 6.360 14.083 -1.584
393 HG23 VAL 51 3HG2 VAL 51 6.147 14.646 -3.242
394 H LYS 52 H LYS 52 8.636 9.770 -3.099
395 HA LYS 52 HA LYS 52 11.516 10.347 -2.846
396 HB2 LYS 52 2HB LYS 52 10.908 8.480 -1.441
397 HB3 LYS 52 3HB LYS 52 10.056 7.702 -2.768
398 HG2 LYS 52 2HG LYS 52 12.171 7.411 -3.957
399 HG3 LYS 52 3HG LYS 52 13.025 8.191 -2.623
400 HD2 LYS 52 2HD LYS 52 12.412 6.422 -1.120
401 HD3 LYS 52 3HD LYS 52 11.360 5.693 -2.335
402 HE2 LYS 52 2HE LYS 52 13.340 4.411 -2.346
403 HE3 LYS 52 3HE LYS 52 13.427 5.439 -3.775
404 HZ1 LYS 52 1HZ LYS 52 14.600 6.654 -1.462
405 HZ2 LYS 52 2HZ LYS 52 15.244 6.440 -3.010
406 HZ3 LYS 52 3HZ LYS 52 15.351 5.195 -1.871
407 H CYS 53 H CYS 53 12.466 10.766 -4.717
408 HA CYS 53 HA CYS 53 11.488 9.389 -7.132
409 HB2 CYS 53 2HB CYS 53 12.771 12.104 -7.232
410 HB3 CYS 53 3HB CYS 53 11.735 11.327 -8.425
411 H ASP 54 H ASP 54 12.995 8.563 -8.525
412 HA ASP 54 HA ASP 54 15.829 9.016 -7.934
413 HB2 ASP 54 2HB ASP 54 15.961 6.393 -8.457
414 HB3 ASP 54 3HB ASP 54 15.772 7.023 -6.823
415 H PHE 55 H PHE 55 17.229 8.702 -9.681
416 HA PHE 55 HA PHE 55 15.925 8.240 -12.280
417 HB2 PHE 55 2HB PHE 55 17.320 10.597 -11.335
418 HB3 PHE 55 3HB PHE 55 18.099 9.935 -12.767
419 HD1 PHE 55 HD1 PHE 55 17.521 11.252 -14.562
420 HD2 PHE 55 HD2 PHE 55 14.515 10.127 -11.767
421 HE1 PHE 55 HE1 PHE 55 15.811 12.310 -15.980
422 HE2 PHE 55 HE2 PHE 55 12.800 11.181 -13.181
423 HZ PHE 55 HZ PHE 55 13.447 12.274 -15.291
424 H ARG 56 H ARG 56 17.315 7.431 -13.962
425 HA ARG 56 HA ARG 56 19.854 6.280 -13.058
426 HB2 ARG 56 2HB ARG 56 17.485 4.784 -14.131
427 HB3 ARG 56 3HB ARG 56 19.113 4.178 -14.409
428 HG2 ARG 56 2HG ARG 56 19.201 4.644 -11.747
429 HG3 ARG 56 3HG ARG 56 17.501 4.217 -11.957
430 HD2 ARG 56 2HD ARG 56 18.634 2.290 -13.440
431 HD3 ARG 56 3HD ARG 56 19.935 2.569 -12.283
432 HE ARG 56 HE ARG 56 17.450 2.299 -10.950
433 HH11 ARG 56 1HH1 ARG 56 19.904 0.456 -12.594
434 HH12 ARG 56 2HH1 ARG 56 19.579 -1.004 -11.719
435 HH21 ARG 56 1HH2 ARG 56 17.013 0.383 -9.791
436 HH22 ARG 56 2HH2 ARG 56 17.933 -1.044 -10.126
437 H HIS 57 H HIS 57 21.365 5.902 -14.694
438 HA HIS 57 HA HIS 57 22.451 6.282 -16.657
439 HB2 HIS 57 2HB HIS 57 19.972 5.190 -17.365
440 HB3 HIS 57 3HB HIS 57 20.181 6.575 -18.432
441 HD1 HIS 57 HD1 HIS 57 20.799 5.457 -20.579
442 HD2 HIS 57 HD2 HIS 57 23.053 4.080 -17.372
443 HE1 HIS 57 HE1 HIS 57 22.561 3.971 -21.585
Start of MODEL 5
1 H1 LEU 1 H LEU 1 1.512 -1.867 -0.825
2 HA LEU 1 HA LEU 1 2.269 -1.453 -2.939
3 HB2 LEU 1 2HB LEU 1 -0.510 -2.017 -3.322
4 HB3 LEU 1 3HB LEU 1 -0.029 -0.703 -4.392
5 HG LEU 1 HG LEU 1 1.417 -3.342 -4.266
6 HD11 LEU 1 1HD1 LEU 1 -0.284 -4.274 -5.340
7 HD12 LEU 1 2HD1 LEU 1 -0.011 -3.143 -6.665
8 HD13 LEU 1 3HD1 LEU 1 -1.158 -2.743 -5.386
9 HD21 LEU 1 1HD2 LEU 1 1.375 -1.202 -6.389
10 HD22 LEU 1 2HD2 LEU 1 2.378 -2.652 -6.356
11 HD23 LEU 1 3HD2 LEU 1 2.635 -1.374 -5.167
12 H GLU 2 H GLU 2 3.325 0.376 -3.284
13 HA GLU 2 HA GLU 2 2.650 2.852 -2.251
14 HB2 GLU 2 2HB GLU 2 4.533 1.931 -4.373
15 HB3 GLU 2 3HB GLU 2 4.231 3.657 -4.223
16 HG2 GLU 2 2HG GLU 2 6.008 3.486 -2.835
17 HG3 GLU 2 3HG GLU 2 4.723 3.152 -1.675
18 H TYR 3 H TYR 3 2.194 4.875 -3.459
19 HA TYR 3 HA TYR 3 -0.135 4.490 -5.126
20 HB2 TYR 3 2HB TYR 3 1.176 6.886 -3.867
21 HB3 TYR 3 3HB TYR 3 -0.104 7.075 -5.060
22 HD1 TYR 3 HD1 TYR 3 0.462 7.137 -1.698
23 HD2 TYR 3 HD2 TYR 3 -2.150 5.289 -4.503
24 HE1 TYR 3 HE1 TYR 3 -1.221 6.843 0.072
25 HE2 TYR 3 HE2 TYR 3 -3.840 4.991 -2.741
26 HH TYR 3 HH TYR 3 -3.532 4.834 0.096
27 H LYS 4 H LYS 4 -0.384 5.122 -7.245
28 HA LYS 4 HA LYS 4 2.042 5.203 -8.815
29 HB2 LYS 4 2HB LYS 4 -0.855 5.297 -9.679
30 HB3 LYS 4 3HB LYS 4 0.525 5.098 -10.750
31 HG2 LYS 4 2HG LYS 4 -0.374 3.178 -8.613
32 HG3 LYS 4 3HG LYS 4 -0.538 2.969 -10.358
33 HD2 LYS 4 2HD LYS 4 1.930 3.029 -10.554
34 HD3 LYS 4 3HD LYS 4 2.040 3.124 -8.795
35 HE2 LYS 4 2HE LYS 4 1.679 0.931 -8.553
36 HE3 LYS 4 3HE LYS 4 0.349 0.937 -9.710
37 HZ1 LYS 4 1HZ LYS 4 2.035 0.948 -11.499
38 HZ2 LYS 4 2HZ LYS 4 2.087 -0.447 -10.543
39 HZ3 LYS 4 3HZ LYS 4 3.246 0.767 -10.331
40 H GLY 5 H GLY 5 3.082 7.084 -8.996
41 HA2 GLY 5 2HA GLY 5 1.495 9.456 -9.729
42 HA3 GLY 5 3HA GLY 5 2.716 9.566 -8.471
43 H GLU 6 H GLU 6 2.646 11.096 -10.881
44 HA GLU 6 HA GLU 6 4.990 10.029 -12.309
45 HB2 GLU 6 2HB GLU 6 3.228 12.230 -13.351
46 HB3 GLU 6 3HB GLU 6 4.309 11.171 -14.246
47 HG2 GLU 6 2HG GLU 6 1.608 10.566 -13.111
48 HG3 GLU 6 3HG GLU 6 2.171 10.416 -14.774
49 H CYS 7 H CYS 7 6.440 11.785 -13.213
50 HA CYS 7 HA CYS 7 6.749 13.947 -11.234
51 HB2 CYS 7 2HB CYS 7 8.836 13.270 -10.799
52 HB3 CYS 7 3HB CYS 7 8.523 11.837 -11.772
53 H PHE 8 H PHE 8 7.720 15.907 -11.997
54 HA PHE 8 HA PHE 8 7.086 16.415 -14.810
55 HB2 PHE 8 2HB PHE 8 7.421 18.212 -12.415
56 HB3 PHE 8 3HB PHE 8 7.373 18.852 -14.055
57 HD1 PHE 8 HD1 PHE 8 5.432 16.453 -11.951
58 HD2 PHE 8 HD2 PHE 8 5.350 19.633 -14.780
59 HE1 PHE 8 HE1 PHE 8 2.973 16.455 -11.872
60 HE2 PHE 8 HE2 PHE 8 2.891 19.640 -14.705
61 HZ PHE 8 HZ PHE 8 1.699 18.051 -13.250
62 H THR 9 H THR 9 8.535 18.206 -15.803
63 HA THR 9 HA THR 9 11.017 17.187 -16.368
64 HB THR 9 HB THR 9 11.330 19.986 -16.548
65 HG1 THR 9 HG1 THR 9 9.121 20.245 -16.124
66 HG21 THR 9 1HG2 THR 9 10.181 18.560 -18.861
67 HG22 THR 9 2HG2 THR 9 11.631 17.840 -18.163
68 HG23 THR 9 3HG2 THR 9 11.662 19.507 -18.734
69 H LYS 10 H LYS 10 13.075 18.772 -16.013
70 HA LYS 10 HA LYS 10 13.997 18.259 -13.440
71 HB2 LYS 10 2HB LYS 10 15.128 19.148 -15.762
72 HB3 LYS 10 3HB LYS 10 15.219 20.590 -14.759
73 HG2 LYS 10 2HG LYS 10 17.013 19.773 -13.763
74 HG3 LYS 10 3HG LYS 10 16.063 18.407 -13.175
75 HD2 LYS 10 2HD LYS 10 17.009 17.005 -14.635
76 HD3 LYS 10 3HD LYS 10 16.778 18.128 -15.977
77 HE2 LYS 10 2HE LYS 10 18.792 19.294 -15.435
78 HE3 LYS 10 3HE LYS 10 18.970 18.398 -13.927
79 HZ1 LYS 10 1HZ LYS 10 20.210 17.749 -16.194
80 HZ2 LYS 10 2HZ LYS 10 18.829 16.783 -16.332
81 HZ3 LYS 10 3HZ LYS 10 19.836 16.630 -14.981
82 H ASP 11 H ASP 11 11.616 20.351 -14.214
83 HA ASP 11 HA ASP 11 12.254 22.650 -12.687
84 HB2 ASP 11 2HB ASP 11 10.299 22.086 -14.446
85 HB3 ASP 11 3HB ASP 11 9.407 21.851 -12.945
86 H ASN 12 H ASN 12 11.815 19.542 -11.694
87 HA ASN 12 HA ASN 12 11.540 18.564 -9.659
88 HB2 ASN 12 2HB ASN 12 12.696 21.036 -9.115
89 HB3 ASN 12 3HB ASN 12 11.319 20.960 -8.020
90 HD21 ASN 12 1HD2 ASN 12 13.334 18.330 -9.229
91 HD22 ASN 12 2HD2 ASN 12 13.931 17.838 -7.683
92 H THR 13 H THR 13 9.475 17.795 -10.072
93 HA THR 13 HA THR 13 7.416 18.797 -8.373
94 HB THR 13 HB THR 13 6.171 18.760 -10.971
95 HG1 THR 13 HG1 THR 13 8.415 19.588 -11.429
96 HG21 THR 13 1HG2 THR 13 6.318 20.505 -8.578
97 HG22 THR 13 2HG2 THR 13 4.912 19.865 -9.429
98 HG23 THR 13 3HG2 THR 13 5.784 21.251 -10.083
99 H CYS 14 H CYS 14 5.612 17.386 -8.231
100 HA CYS 14 HA CYS 14 5.671 14.947 -9.827
101 HB2 CYS 14 2HB CYS 14 6.299 15.105 -6.918
102 HB3 CYS 14 3HB CYS 14 5.325 13.747 -7.474
103 H LYS 15 H LYS 15 3.702 13.913 -9.981
104 HA LYS 15 HA LYS 15 1.457 15.073 -8.481
105 HB2 LYS 15 2HB LYS 15 1.392 16.153 -10.630
106 HB3 LYS 15 3HB LYS 15 1.598 14.619 -11.464
107 HG2 LYS 15 2HG LYS 15 -0.579 14.044 -11.239
108 HG3 LYS 15 3HG LYS 15 -0.748 14.859 -9.682
109 HD2 LYS 15 2HD LYS 15 -0.225 16.749 -11.806
110 HD3 LYS 15 3HD LYS 15 -1.647 15.765 -12.160
111 HE2 LYS 15 2HE LYS 15 -2.494 16.315 -9.874
112 HE3 LYS 15 3HE LYS 15 -1.142 17.432 -9.699
113 HZ1 LYS 15 1HZ LYS 15 -2.383 18.953 -10.693
114 HZ2 LYS 15 2HZ LYS 15 -3.615 17.837 -11.001
115 HZ3 LYS 15 3HZ LYS 15 -2.356 18.035 -12.113
116 H TYR 16 H TYR 16 0.619 13.473 -7.324
117 HA TYR 16 HA TYR 16 0.456 10.794 -8.541
118 HB2 TYR 16 2HB TYR 16 0.528 9.868 -6.286
119 HB3 TYR 16 3HB TYR 16 1.930 10.895 -6.566
120 HD1 TYR 16 HD1 TYR 16 1.906 13.248 -5.616
121 HD2 TYR 16 HD2 TYR 16 -0.929 10.283 -4.488
122 HE1 TYR 16 HE1 TYR 16 1.372 14.538 -3.592
123 HE2 TYR 16 HE2 TYR 16 -1.473 11.566 -2.461
124 HH TYR 16 HH TYR 16 -1.293 13.676 -1.514
125 H LYS 17 H LYS 17 -1.390 9.469 -7.800
126 HA LYS 17 HA LYS 17 -3.761 11.110 -7.199
127 HB2 LYS 17 2HB LYS 17 -3.713 10.467 -9.583
128 HB3 LYS 17 3HB LYS 17 -3.625 8.773 -9.115
129 HG2 LYS 17 2HG LYS 17 -5.819 9.017 -7.993
130 HG3 LYS 17 3HG LYS 17 -5.909 10.668 -8.611
131 HD2 LYS 17 2HD LYS 17 -5.397 8.437 -10.523
132 HD3 LYS 17 3HD LYS 17 -7.034 8.673 -9.906
133 HE2 LYS 17 2HE LYS 17 -5.491 10.986 -11.010
134 HE3 LYS 17 3HE LYS 17 -6.295 9.859 -12.101
135 HZ1 LYS 17 1HZ LYS 17 -8.045 10.630 -10.015
136 HZ2 LYS 17 2HZ LYS 17 -8.231 10.821 -11.685
137 HZ3 LYS 17 3HZ LYS 17 -7.428 12.005 -10.782
138 H ILE 18 H ILE 18 -5.151 10.324 -5.702
139 HA ILE 18 HA ILE 18 -4.676 7.601 -4.687
140 HB ILE 18 HB ILE 18 -5.174 10.058 -3.001
141 HG12 ILE 18 2HG1 ILE 18 -2.748 8.310 -3.422
142 HG13 ILE 18 3HG1 ILE 18 -2.890 10.043 -3.698
143 HG21 ILE 18 1HG2 ILE 18 -4.949 8.555 -1.085
144 HG22 ILE 18 2HG2 ILE 18 -6.312 8.099 -2.106
145 HG23 ILE 18 3HG2 ILE 18 -4.810 7.179 -2.180
146 HD11 ILE 18 1HD1 ILE 18 -3.179 10.359 -1.265
147 HD12 ILE 18 2HD1 ILE 18 -2.896 8.632 -1.043
148 HD13 ILE 18 3HD1 ILE 18 -1.623 9.657 -1.705
149 H ASP 19 H ASP 19 -6.471 6.496 -3.908
150 HA ASP 19 HA ASP 19 -8.886 6.833 -5.170
151 HB2 ASP 19 2HB ASP 19 -8.166 5.463 -2.590
152 HB3 ASP 19 3HB ASP 19 -9.822 5.461 -3.192
153 H GLY 20 H GLY 20 -10.361 8.385 -5.077
154 HA2 GLY 20 2HA GLY 20 -12.064 9.489 -3.732
155 HA3 GLY 20 3HA GLY 20 -10.851 9.691 -2.476
156 H LYS 21 H LYS 21 -9.023 11.130 -2.968
157 HA LYS 21 HA LYS 21 -9.751 13.227 -4.903
158 HB2 LYS 21 2HB LYS 21 -8.876 13.498 -2.040
159 HB3 LYS 21 3HB LYS 21 -8.619 14.803 -3.191
160 HG2 LYS 21 2HG LYS 21 -11.291 13.579 -2.536
161 HG3 LYS 21 3HG LYS 21 -10.667 15.087 -1.863
162 HD2 LYS 21 2HD LYS 21 -11.203 14.528 -4.780
163 HD3 LYS 21 3HD LYS 21 -12.195 15.524 -3.713
164 HE2 LYS 21 2HE LYS 21 -9.839 16.731 -3.351
165 HE3 LYS 21 3HE LYS 21 -9.579 16.103 -4.977
166 HZ1 LYS 21 1HZ LYS 21 -11.900 17.144 -5.406
167 HZ2 LYS 21 2HZ LYS 21 -10.527 18.132 -5.400
168 HZ3 LYS 21 3HZ LYS 21 -11.540 18.084 -4.046
169 H THR 22 H THR 22 -8.025 14.359 -5.868
170 HA THR 22 HA THR 22 -5.501 12.862 -5.846
171 HB THR 22 HB THR 22 -6.583 14.818 -7.883
172 HG1 THR 22 HG1 THR 22 -7.547 12.667 -7.783
173 HG21 THR 22 1HG2 THR 22 -4.676 14.121 -9.269
174 HG22 THR 22 2HG2 THR 22 -4.057 13.162 -7.924
175 HG23 THR 22 3HG2 THR 22 -4.148 14.918 -7.787
176 H TYR 23 H TYR 23 -3.553 13.826 -5.443
177 HA TYR 23 HA TYR 23 -3.552 16.692 -4.801
178 HB2 TYR 23 2HB TYR 23 -1.953 14.827 -3.098
179 HB3 TYR 23 3HB TYR 23 -2.609 16.413 -2.708
180 HD1 TYR 23 HD1 TYR 23 -4.736 16.639 -1.687
181 HD2 TYR 23 HD2 TYR 23 -3.490 12.848 -3.165
182 HE1 TYR 23 HE1 TYR 23 -6.640 15.576 -0.549
183 HE2 TYR 23 HE2 TYR 23 -5.391 11.775 -2.032
184 HH TYR 23 HH TYR 23 -7.261 13.349 0.310
185 H LEU 24 H LEU 24 -1.235 17.491 -4.500
186 HA LEU 24 HA LEU 24 0.414 16.309 -6.628
187 HB2 LEU 24 2HB LEU 24 -0.387 18.679 -6.852
188 HB3 LEU 24 3HB LEU 24 0.621 19.079 -5.463
189 HG LEU 24 HG LEU 24 2.553 18.114 -6.900
190 HD11 LEU 24 1HD1 LEU 24 0.604 18.832 -9.082
191 HD12 LEU 24 2HD1 LEU 24 1.033 17.183 -8.629
192 HD13 LEU 24 3HD1 LEU 24 2.265 18.268 -9.273
193 HD21 LEU 24 1HD2 LEU 24 2.253 20.477 -6.239
194 HD22 LEU 24 2HD2 LEU 24 1.264 20.728 -7.677
195 HD23 LEU 24 3HD2 LEU 24 2.967 20.296 -7.841
196 H ALA 25 H ALA 25 2.661 16.074 -6.334
197 HA ALA 25 HA ALA 25 3.557 16.148 -3.527
198 HB1 ALA 25 1HB ALA 25 5.049 14.148 -4.381
199 HB2 ALA 25 2HB ALA 25 3.405 13.884 -3.797
200 HB3 ALA 25 3HB ALA 25 3.724 13.956 -5.530
201 H LYS 26 H LYS 26 5.790 16.537 -3.179
202 HA LYS 26 HA LYS 26 7.104 17.891 -5.441
203 HB2 LYS 26 2HB LYS 26 6.661 19.488 -3.738
204 HB3 LYS 26 3HB LYS 26 7.213 18.399 -2.472
205 HG2 LYS 26 2HG LYS 26 8.816 20.191 -2.913
206 HG3 LYS 26 3HG LYS 26 9.497 18.598 -3.252
207 HD2 LYS 26 2HD LYS 26 9.909 19.168 -5.363
208 HD3 LYS 26 3HD LYS 26 8.229 19.654 -5.605
209 HE2 LYS 26 2HE LYS 26 9.504 21.581 -6.043
210 HE3 LYS 26 3HE LYS 26 8.846 21.818 -4.425
211 HZ1 LYS 26 1HZ LYS 26 10.899 21.406 -3.448
212 HZ2 LYS 26 2HZ LYS 26 11.297 22.336 -4.803
213 HZ3 LYS 26 3HZ LYS 26 11.533 20.661 -4.829
214 H CYS 27 H CYS 27 9.227 17.455 -5.920
215 HA CYS 27 HA CYS 27 10.400 15.144 -4.518
216 HB2 CYS 27 2HB CYS 27 10.338 15.949 -7.392
217 HB3 CYS 27 3HB CYS 27 11.748 15.076 -6.802
218 HA PRO 28 HA PRO 28 13.967 17.437 -3.398
219 HB2 PRO 28 2HB PRO 28 15.978 15.666 -3.835
220 HB3 PRO 28 3HB PRO 28 14.824 15.500 -2.506
221 HG2 PRO 28 2HG PRO 28 14.856 14.134 -5.170
222 HG3 PRO 28 3HG PRO 28 14.518 13.454 -3.567
223 HD2 PRO 28 2HD PRO 28 12.557 14.102 -5.318
224 HD3 PRO 28 3HD PRO 28 12.346 14.225 -3.560
225 H SER 29 H SER 29 15.561 18.756 -4.212
226 HA SER 29 HA SER 29 15.636 19.050 -7.077
227 HB2 SER 29 2HB SER 29 17.308 20.595 -5.099
228 HB3 SER 29 3HB SER 29 16.751 21.105 -6.693
229 HG SER 29 HG SER 29 15.579 21.537 -4.388
230 H ALA 30 H ALA 30 17.292 17.140 -4.944
231 HA ALA 30 HA ALA 30 19.963 17.295 -5.590
232 HB1 ALA 30 1HB ALA 30 18.277 15.441 -4.295
233 HB2 ALA 30 2HB ALA 30 19.243 14.537 -5.462
234 HB3 ALA 30 3HB ALA 30 20.038 15.534 -4.244
235 H ALA 31 H ALA 31 21.112 17.027 -7.386
236 HA ALA 31 HA ALA 31 19.994 16.595 -9.896
237 HB1 ALA 31 1HB ALA 31 22.033 17.639 -10.010
238 HB2 ALA 31 2HB ALA 31 22.777 16.557 -8.832
239 HB3 ALA 31 3HB ALA 31 22.480 15.998 -10.478
240 H ASN 32 H ASN 32 20.956 14.328 -7.483
241 HA ASN 32 HA ASN 32 21.161 12.091 -9.298
242 HB2 ASN 32 2HB ASN 32 21.376 12.453 -6.333
243 HB3 ASN 32 3HB ASN 32 21.125 10.837 -6.988
244 HD21 ASN 32 1HD2 ASN 32 23.366 13.253 -6.294
245 HD22 ASN 32 2HD2 ASN 32 24.741 12.547 -7.066
246 H THR 33 H THR 33 18.710 13.648 -7.436
247 HA THR 33 HA THR 33 16.841 11.455 -8.062
248 HB THR 33 HB THR 33 15.437 12.513 -6.174
249 HG1 THR 33 HG1 THR 33 17.119 14.327 -6.114
250 HG21 THR 33 1HG2 THR 33 16.866 10.341 -6.176
251 HG22 THR 33 2HG2 THR 33 16.299 10.997 -4.640
252 HG23 THR 33 3HG2 THR 33 17.964 11.269 -5.155
253 H LYS 34 H LYS 34 17.710 14.005 -9.522
254 HA LYS 34 HA LYS 34 15.241 15.525 -9.630
255 HB2 LYS 34 2HB LYS 34 17.971 15.807 -10.811
256 HB3 LYS 34 3HB LYS 34 16.630 16.641 -11.583
257 HG2 LYS 34 2HG LYS 34 16.612 17.048 -8.725
258 HG3 LYS 34 3HG LYS 34 18.148 17.539 -9.443
259 HD2 LYS 34 2HD LYS 34 15.628 18.368 -10.792
260 HD3 LYS 34 3HD LYS 34 16.091 19.195 -9.303
261 HE2 LYS 34 2HE LYS 34 18.016 18.835 -11.579
262 HE3 LYS 34 3HE LYS 34 16.889 20.189 -11.525
263 HZ1 LYS 34 1HZ LYS 34 17.852 20.944 -9.500
264 HZ2 LYS 34 2HZ LYS 34 19.118 20.677 -10.590
265 HZ3 LYS 34 3HZ LYS 34 18.814 19.559 -9.357
266 H CYS 35 H CYS 35 14.273 16.016 -11.789
267 HA CYS 35 HA CYS 35 13.985 13.519 -13.293
268 HB2 CYS 35 2HB CYS 35 12.260 15.996 -13.144
269 HB3 CYS 35 3HB CYS 35 11.944 14.651 -14.237
270 H GLU 36 H GLU 36 14.460 13.339 -15.423
271 HA GLU 36 HA GLU 36 15.986 15.515 -16.612
272 HB2 GLU 36 2HB GLU 36 16.647 13.870 -18.295
273 HB3 GLU 36 3HB GLU 36 16.925 13.254 -16.673
274 HG2 GLU 36 2HG GLU 36 14.417 12.336 -17.175
275 HG3 GLU 36 3HG GLU 36 15.145 12.281 -18.779
276 H LYS 37 H LYS 37 12.951 13.849 -17.003
277 HA LYS 37 HA LYS 37 12.114 15.859 -18.937
278 HB2 LYS 37 2HB LYS 37 13.032 13.756 -20.124
279 HB3 LYS 37 3HB LYS 37 11.572 12.964 -19.548
280 HG2 LYS 37 2HG LYS 37 10.598 15.261 -20.684
281 HG3 LYS 37 3HG LYS 37 11.944 14.837 -21.744
282 HD2 LYS 37 2HD LYS 37 10.101 12.659 -20.921
283 HD3 LYS 37 3HD LYS 37 9.498 13.845 -22.082
284 HE2 LYS 37 2HE LYS 37 12.096 12.353 -22.403
285 HE3 LYS 37 3HE LYS 37 10.566 11.811 -23.091
286 HZ1 LYS 37 1HZ LYS 37 12.285 14.018 -23.895
287 HZ2 LYS 37 2HZ LYS 37 10.619 14.295 -23.993
288 HZ3 LYS 37 3HZ LYS 37 11.313 13.004 -24.837
289 H ASP 38 H ASP 38 9.905 16.241 -18.953
290 HA ASP 38 HA ASP 38 8.505 15.609 -16.576
291 HB2 ASP 38 2HB ASP 38 8.163 17.687 -17.912
292 HB3 ASP 38 3HB ASP 38 7.374 16.718 -19.153
293 H GLY 39 H GLY 39 6.683 14.313 -16.243
294 HA2 GLY 39 2HA GLY 39 5.032 12.744 -16.904
295 HA3 GLY 39 3HA GLY 39 5.918 12.480 -18.398
296 H ASN 40 H ASN 40 8.312 12.438 -16.284
297 HA ASN 40 HA ASN 40 8.795 9.707 -16.402
298 HB2 ASN 40 2HB ASN 40 10.112 11.967 -15.379
299 HB3 ASN 40 3HB ASN 40 9.978 10.848 -14.025
300 HD21 ASN 40 1HD2 ASN 40 12.087 11.801 -16.151
301 HD22 ASN 40 2HD2 ASN 40 12.910 10.329 -16.523
302 H LYS 41 H LYS 41 9.275 8.486 -14.173
303 HA LYS 41 HA LYS 41 6.656 8.154 -12.954
304 HB2 LYS 41 2HB LYS 41 8.804 6.429 -13.597
305 HB3 LYS 41 3HB LYS 41 8.649 6.409 -11.845
306 HG2 LYS 41 2HG LYS 41 6.454 5.829 -13.824
307 HG3 LYS 41 3HG LYS 41 7.334 4.640 -12.861
308 HD2 LYS 41 2HD LYS 41 6.496 6.220 -10.885
309 HD3 LYS 41 3HD LYS 41 5.219 6.559 -12.056
310 HE2 LYS 41 2HE LYS 41 6.021 3.873 -10.948
311 HE3 LYS 41 3HE LYS 41 4.515 4.742 -10.655
312 HZ1 LYS 41 1HZ LYS 41 4.530 4.571 -13.327
313 HZ2 LYS 41 2HZ LYS 41 3.757 3.461 -12.310
314 HZ3 LYS 41 3HZ LYS 41 5.299 3.121 -12.916
315 H CYS 42 H CYS 42 6.278 8.198 -10.712
316 HA CYS 42 HA CYS 42 8.377 9.269 -8.993
317 HB2 CYS 42 2HB CYS 42 7.027 11.173 -10.056
318 HB3 CYS 42 3HB CYS 42 5.683 10.616 -9.065
319 H THR 43 H THR 43 7.831 9.165 -6.710
320 HA THR 43 HA THR 43 5.633 7.309 -6.097
321 HB THR 43 HB THR 43 7.867 6.906 -4.308
322 HG1 THR 43 HG1 THR 43 9.427 6.384 -5.689
323 HG21 THR 43 1HG2 THR 43 6.553 5.008 -6.254
324 HG22 THR 43 2HG2 THR 43 5.906 5.407 -4.662
325 HG23 THR 43 3HG2 THR 43 7.461 4.586 -4.802
326 H TYR 44 H TYR 44 4.569 7.655 -4.187
327 HA TYR 44 HA TYR 44 5.577 9.753 -2.404
328 HB2 TYR 44 2HB TYR 44 4.088 11.052 -3.640
329 HB3 TYR 44 3HB TYR 44 2.952 9.725 -3.855
330 HD1 TYR 44 HD1 TYR 44 4.275 12.134 -1.366
331 HD2 TYR 44 HD2 TYR 44 1.158 9.412 -2.356
332 HE1 TYR 44 HE1 TYR 44 2.950 12.971 0.530
333 HE2 TYR 44 HE2 TYR 44 -0.176 10.242 -0.464
334 HH TYR 44 HH TYR 44 1.064 12.017 2.020
335 H ASP 45 H ASP 45 5.543 9.098 -0.365
336 HA ASP 45 HA ASP 45 3.927 6.766 0.348
337 HB2 ASP 45 2HB ASP 45 6.369 6.771 0.849
338 HB3 ASP 45 3HB ASP 45 6.108 8.128 1.942
339 H SER 46 H SER 46 2.003 7.114 1.219
340 HA SER 46 HA SER 46 1.291 9.652 2.361
341 HB2 SER 46 2HB SER 46 -0.926 8.617 2.701
342 HB3 SER 46 3HB SER 46 -0.344 8.381 1.053
343 HG SER 46 HG SER 46 -0.854 6.536 3.021
344 H TYR 47 H TYR 47 2.962 7.085 3.560
345 HA TYR 47 HA TYR 47 1.800 6.962 6.192
346 HB2 TYR 47 2HB TYR 47 2.888 4.987 5.292
347 HB3 TYR 47 3HB TYR 47 4.398 5.869 5.094
348 HD1 TYR 47 HD1 TYR 47 5.994 5.819 6.786
349 HD2 TYR 47 HD2 TYR 47 1.970 4.792 7.708
350 HE1 TYR 47 HE1 TYR 47 6.691 5.142 9.045
351 HE2 TYR 47 HE2 TYR 47 2.655 4.114 9.971
352 HH TYR 47 HH TYR 47 4.323 4.055 11.450
353 H ASN 48 H ASN 48 4.754 8.326 4.768
354 HA ASN 48 HA ASN 48 5.137 9.885 7.237
355 HB2 ASN 48 2HB ASN 48 7.497 10.072 6.602
356 HB3 ASN 48 3HB ASN 48 7.010 8.382 6.707
357 HD21 ASN 48 1HD2 ASN 48 9.146 8.479 5.409
358 HD22 ASN 48 2HD2 ASN 48 8.957 8.478 3.691
359 H ARG 49 H ARG 49 3.901 10.163 4.227
360 HA ARG 49 HA ARG 49 3.352 11.913 2.883
361 HB2 ARG 49 2HB ARG 49 4.355 13.724 5.076
362 HB3 ARG 49 3HB ARG 49 3.146 14.083 3.850
363 HG2 ARG 49 2HG ARG 49 1.842 12.119 4.956
364 HG3 ARG 49 3HG ARG 49 2.902 12.446 6.329
365 HD2 ARG 49 2HD ARG 49 1.067 14.416 4.969
366 HD3 ARG 49 3HD ARG 49 0.817 13.674 6.549
367 HE ARG 49 HE ARG 49 3.277 14.965 6.620
368 HH11 ARG 49 1HH1 ARG 49 -0.085 15.789 6.247
369 HH12 ARG 49 2HH1 ARG 49 0.087 17.361 6.956
370 HH21 ARG 49 1HH2 ARG 49 3.516 17.032 7.556
371 HH22 ARG 49 2HH2 ARG 49 2.136 18.067 7.699
372 H LYS 50 H LYS 50 6.045 10.771 2.830
373 HA LYS 50 HA LYS 50 7.572 13.088 1.843
374 HB2 LYS 50 2HB LYS 50 8.757 11.984 3.617
375 HB3 LYS 50 3HB LYS 50 8.501 10.408 2.879
376 HG2 LYS 50 2HG LYS 50 10.255 10.629 1.510
377 HG3 LYS 50 3HG LYS 50 9.893 12.321 1.159
378 HD2 LYS 50 2HD LYS 50 11.456 13.000 2.589
379 HD3 LYS 50 3HD LYS 50 10.737 12.047 3.889
380 HE2 LYS 50 2HE LYS 50 11.988 10.107 3.237
381 HE3 LYS 50 3HE LYS 50 12.580 10.918 1.788
382 HZ1 LYS 50 1HZ LYS 50 14.220 11.853 2.931
383 HZ2 LYS 50 2HZ LYS 50 13.832 10.822 4.214
384 HZ3 LYS 50 3HZ LYS 50 13.186 12.385 4.160
385 H VAL 51 H VAL 51 8.419 13.070 -0.206
386 HA VAL 51 HA VAL 51 7.349 11.010 -1.995
387 HB VAL 51 HB VAL 51 8.648 13.606 -2.812
388 HG11 VAL 51 1HG1 VAL 51 7.563 13.260 -4.910
389 HG12 VAL 51 2HG1 VAL 51 8.404 11.766 -4.491
390 HG13 VAL 51 3HG1 VAL 51 6.657 11.885 -4.278
391 HG21 VAL 51 1HG2 VAL 51 6.419 14.564 -2.986
392 HG22 VAL 51 2HG2 VAL 51 5.712 13.079 -2.351
393 HG23 VAL 51 3HG2 VAL 51 6.749 14.070 -1.325
394 H LYS 52 H LYS 52 8.616 9.588 -3.014
395 HA LYS 52 HA LYS 52 11.534 9.957 -2.822
396 HB2 LYS 52 2HB LYS 52 10.760 8.078 -1.471
397 HB3 LYS 52 3HB LYS 52 9.936 7.390 -2.863
398 HG2 LYS 52 2HG LYS 52 12.239 7.319 -3.966
399 HG3 LYS 52 3HG LYS 52 12.880 7.599 -2.345
400 HD2 LYS 52 2HD LYS 52 10.967 5.366 -2.995
401 HD3 LYS 52 3HD LYS 52 12.721 5.183 -3.069
402 HE2 LYS 52 2HE LYS 52 12.303 6.343 -0.603
403 HE3 LYS 52 3HE LYS 52 10.938 5.240 -0.766
404 HZ1 LYS 52 1HZ LYS 52 13.661 4.648 -0.237
405 HZ2 LYS 52 2HZ LYS 52 13.144 3.833 -1.626
406 HZ3 LYS 52 3HZ LYS 52 12.314 3.627 -0.167
407 H CYS 53 H CYS 53 12.530 10.280 -4.689
408 HA CYS 53 HA CYS 53 11.479 8.994 -7.110
409 HB2 CYS 53 2HB CYS 53 12.602 11.738 -7.381
410 HB3 CYS 53 3HB CYS 53 11.365 10.930 -8.339
411 H ASP 54 H ASP 54 13.003 8.299 -8.556
412 HA ASP 54 HA ASP 54 15.811 8.959 -8.037
413 HB2 ASP 54 2HB ASP 54 15.795 6.941 -6.899
414 HB3 ASP 54 3HB ASP 54 14.561 6.243 -7.944
415 H PHE 55 H PHE 55 16.923 9.355 -9.843
416 HA PHE 55 HA PHE 55 16.079 8.164 -12.369
417 HB2 PHE 55 2HB PHE 55 16.459 11.150 -12.079
418 HB3 PHE 55 3HB PHE 55 15.989 10.280 -13.537
419 HD1 PHE 55 HD1 PHE 55 13.742 9.419 -13.804
420 HD2 PHE 55 HD2 PHE 55 14.881 11.554 -10.302
421 HE1 PHE 55 HE1 PHE 55 11.372 9.699 -13.207
422 HE2 PHE 55 HE2 PHE 55 12.513 11.836 -9.700
423 HZ PHE 55 HZ PHE 55 10.754 10.907 -11.152
424 H ARG 56 H ARG 56 17.671 8.915 -14.163
425 HA ARG 56 HA ARG 56 20.326 9.580 -13.268
426 HB2 ARG 56 2HB ARG 56 19.537 6.783 -13.855
427 HB3 ARG 56 3HB ARG 56 21.062 7.327 -14.542
428 HG2 ARG 56 2HG ARG 56 21.238 8.208 -11.957
429 HG3 ARG 56 3HG ARG 56 20.369 6.681 -11.787
430 HD2 ARG 56 2HD ARG 56 22.159 5.649 -13.241
431 HD3 ARG 56 3HD ARG 56 23.059 7.153 -13.052
432 HE ARG 56 HE ARG 56 22.538 6.449 -10.503
433 HH11 ARG 56 1HH1 ARG 56 23.889 4.720 -13.206
434 HH12 ARG 56 2HH1 ARG 56 24.886 3.700 -12.222
435 HH21 ARG 56 1HH2 ARG 56 23.845 5.112 -9.197
436 HH22 ARG 56 2HH2 ARG 56 24.859 3.923 -9.942
437 H HIS 57 H HIS 57 21.734 10.104 -14.971
438 HA HIS 57 HA HIS 57 22.227 11.047 -16.985
439 HB2 HIS 57 2HB HIS 57 22.453 8.862 -17.831
440 HB3 HIS 57 3HB HIS 57 20.717 8.569 -17.782
441 HD1 HIS 57 HD1 HIS 57 23.408 9.744 -19.975
442 HD2 HIS 57 HD2 HIS 57 19.259 9.937 -19.874
443 HE1 HIS 57 HE1 HIS 57 22.709 10.410 -22.297
Start of MODEL 6
1 H1 LEU 1 H LEU 1 5.662 -1.662 -2.686
2 HA LEU 1 HA LEU 1 3.608 -1.570 -4.196
3 HB2 LEU 1 2HB LEU 1 1.491 -1.458 -2.996
4 HB3 LEU 1 3HB LEU 1 2.290 -3.011 -2.754
5 HG LEU 1 HG LEU 1 2.673 -0.892 -0.698
6 HD11 LEU 1 1HD1 LEU 1 0.559 -2.025 0.374
7 HD12 LEU 1 2HD1 LEU 1 0.106 -2.266 -1.313
8 HD13 LEU 1 3HD1 LEU 1 0.400 -0.638 -0.703
9 HD21 LEU 1 1HD2 LEU 1 3.701 -2.631 0.229
10 HD22 LEU 1 2HD2 LEU 1 3.080 -3.734 -1.000
11 HD23 LEU 1 3HD2 LEU 1 2.114 -3.374 0.431
12 H GLU 2 H GLU 2 2.348 0.443 -4.344
13 HA GLU 2 HA GLU 2 2.555 2.560 -2.535
14 HB2 GLU 2 2HB GLU 2 4.998 2.088 -3.772
15 HB3 GLU 2 3HB GLU 2 4.311 3.421 -4.690
16 HG2 GLU 2 2HG GLU 2 5.438 4.559 -3.067
17 HG3 GLU 2 3HG GLU 2 3.847 4.422 -2.321
18 H TYR 3 H TYR 3 2.301 4.770 -3.822
19 HA TYR 3 HA TYR 3 0.055 4.327 -5.608
20 HB2 TYR 3 2HB TYR 3 1.155 6.727 -4.171
21 HB3 TYR 3 3HB TYR 3 -0.034 6.913 -5.455
22 HD1 TYR 3 HD1 TYR 3 -2.171 5.361 -5.191
23 HD2 TYR 3 HD2 TYR 3 0.394 6.525 -2.001
24 HE1 TYR 3 HE1 TYR 3 -3.980 4.921 -3.583
25 HE2 TYR 3 HE2 TYR 3 -1.407 6.088 -0.385
26 HH TYR 3 HH TYR 3 -3.468 4.719 -0.251
27 H LYS 4 H LYS 4 -0.084 5.022 -7.717
28 HA LYS 4 HA LYS 4 2.434 5.277 -9.114
29 HB2 LYS 4 2HB LYS 4 -0.418 5.195 -10.115
30 HB3 LYS 4 3HB LYS 4 1.000 5.238 -11.155
31 HG2 LYS 4 2HG LYS 4 0.254 3.057 -9.218
32 HG3 LYS 4 3HG LYS 4 0.186 2.982 -10.980
33 HD2 LYS 4 2HD LYS 4 2.751 3.649 -10.705
34 HD3 LYS 4 3HD LYS 4 2.521 2.839 -9.154
35 HE2 LYS 4 2HE LYS 4 1.372 1.019 -10.700
36 HE3 LYS 4 3HE LYS 4 2.428 1.739 -11.914
37 HZ1 LYS 4 1HZ LYS 4 3.362 -0.200 -10.643
38 HZ2 LYS 4 2HZ LYS 4 3.427 0.808 -9.286
39 HZ3 LYS 4 3HZ LYS 4 4.328 1.189 -10.667
40 H GLY 5 H GLY 5 3.392 7.203 -9.210
41 HA2 GLY 5 2HA GLY 5 1.723 9.531 -9.910
42 HA3 GLY 5 3HA GLY 5 2.913 9.644 -8.622
43 H GLU 6 H GLU 6 2.828 11.258 -10.976
44 HA GLU 6 HA GLU 6 5.236 10.338 -12.400
45 HB2 GLU 6 2HB GLU 6 3.378 12.505 -13.356
46 HB3 GLU 6 3HB GLU 6 4.560 11.595 -14.285
47 HG2 GLU 6 2HG GLU 6 3.216 9.596 -14.108
48 HG3 GLU 6 3HG GLU 6 2.058 10.437 -13.080
49 H CYS 7 H CYS 7 6.629 12.194 -13.210
50 HA CYS 7 HA CYS 7 6.861 14.242 -11.103
51 HB2 CYS 7 2HB CYS 7 9.015 13.709 -10.778
52 HB3 CYS 7 3HB CYS 7 8.696 12.250 -11.709
53 H PHE 8 H PHE 8 8.001 16.230 -11.796
54 HA PHE 8 HA PHE 8 7.213 16.926 -14.541
55 HB2 PHE 8 2HB PHE 8 6.987 18.282 -11.994
56 HB3 PHE 8 3HB PHE 8 7.849 19.281 -13.159
57 HD1 PHE 8 HD1 PHE 8 4.664 17.798 -12.246
58 HD2 PHE 8 HD2 PHE 8 6.757 19.992 -15.233
59 HE1 PHE 8 HE1 PHE 8 2.521 18.444 -13.268
60 HE2 PHE 8 HE2 PHE 8 4.617 20.642 -16.260
61 HZ PHE 8 HZ PHE 8 2.496 19.869 -15.277
62 H THR 9 H THR 9 8.603 18.820 -15.428
63 HA THR 9 HA THR 9 11.110 17.898 -16.073
64 HB THR 9 HB THR 9 11.308 20.724 -16.101
65 HG1 THR 9 HG1 THR 9 9.306 21.369 -16.244
66 HG21 THR 9 1HG2 THR 9 11.727 18.668 -17.817
67 HG22 THR 9 2HG2 THR 9 11.712 20.365 -18.295
68 HG23 THR 9 3HG2 THR 9 10.267 19.377 -18.505
69 H LYS 10 H LYS 10 13.114 19.545 -15.657
70 HA LYS 10 HA LYS 10 14.091 18.928 -13.130
71 HB2 LYS 10 2HB LYS 10 15.090 20.124 -15.431
72 HB3 LYS 10 3HB LYS 10 15.255 21.372 -14.203
73 HG2 LYS 10 2HG LYS 10 17.127 20.387 -13.558
74 HG3 LYS 10 3HG LYS 10 16.155 19.028 -12.987
75 HD2 LYS 10 2HD LYS 10 17.307 17.791 -14.451
76 HD3 LYS 10 3HD LYS 10 16.330 18.573 -15.697
77 HE2 LYS 10 2HE LYS 10 18.911 19.736 -14.680
78 HE3 LYS 10 3HE LYS 10 18.843 18.611 -16.035
79 HZ1 LYS 10 1HZ LYS 10 16.951 20.663 -16.417
80 HZ2 LYS 10 2HZ LYS 10 18.289 20.268 -17.372
81 HZ3 LYS 10 3HZ LYS 10 18.458 21.360 -16.091
82 H ASP 11 H ASP 11 11.626 20.985 -13.776
83 HA ASP 11 HA ASP 11 12.187 23.192 -12.090
84 HB2 ASP 11 2HB ASP 11 10.320 22.844 -13.905
85 HB3 ASP 11 3HB ASP 11 9.390 22.221 -12.545
86 H ASN 12 H ASN 12 11.826 20.007 -11.321
87 HA ASN 12 HA ASN 12 11.563 18.878 -9.364
88 HB2 ASN 12 2HB ASN 12 12.687 21.317 -8.644
89 HB3 ASN 12 3HB ASN 12 11.308 21.151 -7.560
90 HD21 ASN 12 1HD2 ASN 12 13.353 18.631 -8.942
91 HD22 ASN 12 2HD2 ASN 12 13.952 18.041 -7.432
92 H THR 13 H THR 13 9.517 18.091 -9.793
93 HA THR 13 HA THR 13 7.444 18.947 -8.038
94 HB THR 13 HB THR 13 6.053 19.077 -10.487
95 HG1 THR 13 HG1 THR 13 8.395 19.718 -11.112
96 HG21 THR 13 1HG2 THR 13 5.562 20.210 -8.303
97 HG22 THR 13 2HG2 THR 13 5.398 21.248 -9.719
98 HG23 THR 13 3HG2 THR 13 6.826 21.376 -8.693
99 H CYS 14 H CYS 14 5.602 17.533 -8.068
100 HA CYS 14 HA CYS 14 5.730 15.196 -9.796
101 HB2 CYS 14 2HB CYS 14 6.389 15.180 -6.902
102 HB3 CYS 14 3HB CYS 14 5.352 13.879 -7.479
103 H LYS 15 H LYS 15 3.779 14.107 -9.995
104 HA LYS 15 HA LYS 15 1.494 15.280 -8.554
105 HB2 LYS 15 2HB LYS 15 1.594 16.105 -10.882
106 HB3 LYS 15 3HB LYS 15 1.552 14.445 -11.460
107 HG2 LYS 15 2HG LYS 15 -0.658 14.408 -11.364
108 HG3 LYS 15 3HG LYS 15 -0.643 14.919 -9.675
109 HD2 LYS 15 2HD LYS 15 -0.051 17.254 -10.890
110 HD3 LYS 15 3HD LYS 15 -1.047 16.497 -12.135
111 HE2 LYS 15 2HE LYS 15 -2.689 16.010 -10.207
112 HE3 LYS 15 3HE LYS 15 -1.774 17.228 -9.319
113 HZ1 LYS 15 1HZ LYS 15 -3.692 17.563 -11.423
114 HZ2 LYS 15 2HZ LYS 15 -2.258 18.412 -11.715
115 HZ3 LYS 15 3HZ LYS 15 -3.127 18.685 -10.289
116 H TYR 16 H TYR 16 0.638 13.780 -7.285
117 HA TYR 16 HA TYR 16 0.510 11.008 -8.278
118 HB2 TYR 16 2HB TYR 16 0.816 10.191 -6.069
119 HB3 TYR 16 3HB TYR 16 2.041 11.434 -6.298
120 HD1 TYR 16 HD1 TYR 16 -0.431 10.225 -4.125
121 HD2 TYR 16 HD2 TYR 16 1.302 13.854 -5.514
122 HE1 TYR 16 HE1 TYR 16 -1.228 11.373 -2.101
123 HE2 TYR 16 HE2 TYR 16 0.511 15.011 -3.493
124 HH TYR 16 HH TYR 16 -0.210 13.795 -0.839
125 H LYS 17 H LYS 17 -1.356 9.798 -7.796
126 HA LYS 17 HA LYS 17 -3.697 11.435 -7.067
127 HB2 LYS 17 2HB LYS 17 -3.871 10.811 -9.372
128 HB3 LYS 17 3HB LYS 17 -3.444 9.143 -9.015
129 HG2 LYS 17 2HG LYS 17 -5.528 8.733 -7.974
130 HG3 LYS 17 3HG LYS 17 -5.931 10.452 -7.951
131 HD2 LYS 17 2HD LYS 17 -6.709 10.404 -10.051
132 HD3 LYS 17 3HD LYS 17 -5.346 9.440 -10.625
133 HE2 LYS 17 2HE LYS 17 -6.414 7.453 -10.240
134 HE3 LYS 17 3HE LYS 17 -7.391 8.108 -8.927
135 HZ1 LYS 17 1HZ LYS 17 -9.037 8.237 -10.387
136 HZ2 LYS 17 2HZ LYS 17 -8.022 7.870 -11.689
137 HZ3 LYS 17 3HZ LYS 17 -8.189 9.472 -11.173
138 H ILE 18 H ILE 18 -5.081 10.691 -5.537
139 HA ILE 18 HA ILE 18 -4.539 8.029 -4.398
140 HB ILE 18 HB ILE 18 -5.268 10.485 -2.800
141 HG12 ILE 18 2HG1 ILE 18 -2.985 10.653 -3.689
142 HG13 ILE 18 3HG1 ILE 18 -2.967 10.402 -1.947
143 HG21 ILE 18 1HG2 ILE 18 -6.083 8.686 -1.592
144 HG22 ILE 18 2HG2 ILE 18 -4.783 7.616 -2.114
145 HG23 ILE 18 3HG2 ILE 18 -4.460 8.881 -0.929
146 HD11 ILE 18 1HD1 ILE 18 -2.851 7.847 -2.977
147 HD12 ILE 18 2HD1 ILE 18 -1.835 8.794 -4.064
148 HD13 ILE 18 3HD1 ILE 18 -1.504 8.785 -2.332
149 H ASP 19 H ASP 19 -6.306 6.909 -3.544
150 HA ASP 19 HA ASP 19 -8.701 7.050 -4.885
151 HB2 ASP 19 2HB ASP 19 -8.123 5.961 -2.125
152 HB3 ASP 19 3HB ASP 19 -9.643 5.700 -2.978
153 H GLY 20 H GLY 20 -10.243 8.538 -4.933
154 HA2 GLY 20 2HA GLY 20 -12.017 9.685 -3.751
155 HA3 GLY 20 3HA GLY 20 -10.886 9.969 -2.435
156 H LYS 21 H LYS 21 -9.026 11.401 -2.926
157 HA LYS 21 HA LYS 21 -9.720 13.423 -4.951
158 HB2 LYS 21 2HB LYS 21 -8.936 13.794 -2.075
159 HB3 LYS 21 3HB LYS 21 -8.639 15.061 -3.257
160 HG2 LYS 21 2HG LYS 21 -11.332 13.857 -2.656
161 HG3 LYS 21 3HG LYS 21 -10.731 15.386 -2.012
162 HD2 LYS 21 2HD LYS 21 -11.159 14.733 -4.928
163 HD3 LYS 21 3HD LYS 21 -12.197 15.755 -3.930
164 HE2 LYS 21 2HE LYS 21 -9.800 16.938 -3.530
165 HE3 LYS 21 3HE LYS 21 -9.587 16.332 -5.172
166 HZ1 LYS 21 1HZ LYS 21 -12.040 17.421 -5.288
167 HZ2 LYS 21 2HZ LYS 21 -10.618 18.217 -5.741
168 HZ3 LYS 21 3HZ LYS 21 -11.271 18.465 -4.201
169 H THR 22 H THR 22 -7.985 14.521 -5.926
170 HA THR 22 HA THR 22 -5.441 13.066 -5.763
171 HB THR 22 HB THR 22 -6.496 14.894 -7.929
172 HG1 THR 22 HG1 THR 22 -7.401 13.094 -8.563
173 HG21 THR 22 1HG2 THR 22 -4.095 15.074 -7.849
174 HG22 THR 22 2HG2 THR 22 -4.536 14.060 -9.224
175 HG23 THR 22 3HG2 THR 22 -3.926 13.322 -7.743
176 H TYR 23 H TYR 23 -3.521 14.082 -5.357
177 HA TYR 23 HA TYR 23 -3.584 16.978 -4.867
178 HB2 TYR 23 2HB TYR 23 -2.002 15.221 -3.035
179 HB3 TYR 23 3HB TYR 23 -2.675 16.821 -2.743
180 HD1 TYR 23 HD1 TYR 23 -4.825 17.086 -1.784
181 HD2 TYR 23 HD2 TYR 23 -3.525 13.231 -3.030
182 HE1 TYR 23 HE1 TYR 23 -6.748 16.073 -0.633
183 HE2 TYR 23 HE2 TYR 23 -5.445 12.207 -1.883
184 HH TYR 23 HH TYR 23 -7.198 13.636 0.402
185 H LEU 24 H LEU 24 -1.289 17.834 -4.555
186 HA LEU 24 HA LEU 24 0.400 16.634 -6.632
187 HB2 LEU 24 2HB LEU 24 -0.363 19.025 -6.808
188 HB3 LEU 24 3HB LEU 24 0.645 19.373 -5.404
189 HG LEU 24 HG LEU 24 2.574 18.424 -6.835
190 HD11 LEU 24 1HD1 LEU 24 0.845 19.280 -9.122
191 HD12 LEU 24 2HD1 LEU 24 0.845 17.606 -8.567
192 HD13 LEU 24 3HD1 LEU 24 2.341 18.345 -9.140
193 HD21 LEU 24 1HD2 LEU 24 1.278 21.049 -7.567
194 HD22 LEU 24 2HD2 LEU 24 2.969 20.615 -7.821
195 HD23 LEU 24 3HD2 LEU 24 2.336 20.773 -6.182
196 H ALA 25 H ALA 25 2.611 16.289 -6.305
197 HA ALA 25 HA ALA 25 3.472 16.299 -3.485
198 HB1 ALA 25 1HB ALA 25 3.686 14.095 -3.606
199 HB2 ALA 25 2HB ALA 25 3.260 14.104 -5.318
200 HB3 ALA 25 3HB ALA 25 4.939 14.321 -4.826
201 H LYS 26 H LYS 26 5.697 16.658 -3.083
202 HA LYS 26 HA LYS 26 7.070 18.061 -5.278
203 HB2 LYS 26 2HB LYS 26 6.637 19.611 -3.539
204 HB3 LYS 26 3HB LYS 26 7.122 18.468 -2.293
205 HG2 LYS 26 2HG LYS 26 8.791 20.212 -2.608
206 HG3 LYS 26 3HG LYS 26 9.435 18.623 -3.026
207 HD2 LYS 26 2HD LYS 26 9.910 19.306 -5.089
208 HD3 LYS 26 3HD LYS 26 8.246 19.838 -5.340
209 HE2 LYS 26 2HE LYS 26 9.837 21.674 -5.638
210 HE3 LYS 26 3HE LYS 26 8.751 21.969 -4.280
211 HZ1 LYS 26 1HZ LYS 26 11.481 22.086 -4.227
212 HZ2 LYS 26 2HZ LYS 26 11.130 20.613 -3.474
213 HZ3 LYS 26 3HZ LYS 26 10.457 22.047 -2.881
214 H CYS 27 H CYS 27 9.207 17.627 -5.722
215 HA CYS 27 HA CYS 27 10.307 15.228 -4.413
216 HB2 CYS 27 2HB CYS 27 10.322 16.189 -7.233
217 HB3 CYS 27 3HB CYS 27 11.736 15.309 -6.663
218 HA PRO 28 HA PRO 28 13.870 17.388 -3.043
219 HB2 PRO 28 2HB PRO 28 15.874 15.626 -3.544
220 HB3 PRO 28 3HB PRO 28 14.680 15.384 -2.264
221 HG2 PRO 28 2HG PRO 28 14.776 14.203 -5.013
222 HG3 PRO 28 3HG PRO 28 14.384 13.419 -3.471
223 HD2 PRO 28 2HD PRO 28 12.482 14.210 -5.228
224 HD3 PRO 28 3HD PRO 28 12.221 14.215 -3.472
225 H SER 29 H SER 29 15.657 18.615 -3.691
226 HA SER 29 HA SER 29 15.734 19.232 -6.505
227 HB2 SER 29 2HB SER 29 17.693 20.777 -5.475
228 HB3 SER 29 3HB SER 29 15.985 21.211 -5.400
229 HG SER 29 HG SER 29 16.113 21.068 -3.319
230 H ALA 30 H ALA 30 17.363 17.092 -4.482
231 HA ALA 30 HA ALA 30 19.987 17.095 -5.299
232 HB1 ALA 30 1HB ALA 30 19.977 15.358 -3.921
233 HB2 ALA 30 2HB ALA 30 18.219 15.251 -4.020
234 HB3 ALA 30 3HB ALA 30 19.222 14.386 -5.185
235 H ALA 31 H ALA 31 20.993 16.825 -7.177
236 HA ALA 31 HA ALA 31 19.718 16.540 -9.620
237 HB1 ALA 31 1HB ALA 31 21.940 16.099 -10.560
238 HB2 ALA 31 2HB ALA 31 21.965 17.438 -9.412
239 HB3 ALA 31 3HB ALA 31 22.573 15.854 -8.932
240 H ASN 32 H ASN 32 21.114 14.072 -7.520
241 HA ASN 32 HA ASN 32 20.880 11.916 -9.334
242 HB2 ASN 32 2HB ASN 32 22.104 12.190 -6.966
243 HB3 ASN 32 3HB ASN 32 20.635 11.388 -6.417
244 HD21 ASN 32 1HD2 ASN 32 23.532 11.098 -8.301
245 HD22 ASN 32 2HD2 ASN 32 23.466 9.385 -8.514
246 H THR 33 H THR 33 18.601 13.562 -7.339
247 HA THR 33 HA THR 33 16.578 11.506 -7.952
248 HB THR 33 HB THR 33 15.304 12.518 -5.988
249 HG1 THR 33 HG1 THR 33 16.668 14.405 -5.824
250 HG21 THR 33 1HG2 THR 33 17.224 10.501 -6.111
251 HG22 THR 33 2HG2 THR 33 16.016 10.735 -4.847
252 HG23 THR 33 3HG2 THR 33 17.630 11.420 -4.662
253 H LYS 34 H LYS 34 17.556 14.046 -9.368
254 HA LYS 34 HA LYS 34 15.128 15.657 -9.376
255 HB2 LYS 34 2HB LYS 34 17.901 15.982 -10.401
256 HB3 LYS 34 3HB LYS 34 16.621 16.828 -11.260
257 HG2 LYS 34 2HG LYS 34 16.498 17.131 -8.356
258 HG3 LYS 34 3HG LYS 34 17.965 17.781 -9.090
259 HD2 LYS 34 2HD LYS 34 15.412 18.414 -10.444
260 HD3 LYS 34 3HD LYS 34 15.686 19.178 -8.877
261 HE2 LYS 34 2HE LYS 34 17.963 19.239 -10.746
262 HE3 LYS 34 3HE LYS 34 16.556 20.183 -11.230
263 HZ1 LYS 34 1HZ LYS 34 16.889 21.667 -9.603
264 HZ2 LYS 34 2HZ LYS 34 18.474 21.077 -9.598
265 HZ3 LYS 34 3HZ LYS 34 17.354 20.503 -8.467
266 H CYS 35 H CYS 35 14.515 16.443 -11.713
267 HA CYS 35 HA CYS 35 14.257 14.042 -13.405
268 HB2 CYS 35 2HB CYS 35 12.270 16.266 -12.909
269 HB3 CYS 35 3HB CYS 35 12.082 15.049 -14.167
270 H GLU 36 H GLU 36 14.773 14.207 -15.516
271 HA GLU 36 HA GLU 36 15.971 16.708 -16.401
272 HB2 GLU 36 2HB GLU 36 17.042 15.465 -18.088
273 HB3 GLU 36 3HB GLU 36 17.053 14.413 -16.680
274 HG2 GLU 36 2HG GLU 36 16.341 12.893 -18.172
275 HG3 GLU 36 3HG GLU 36 14.768 13.601 -17.809
276 H LYS 37 H LYS 37 13.163 14.751 -16.975
277 HA LYS 37 HA LYS 37 12.115 16.814 -18.756
278 HB2 LYS 37 2HB LYS 37 13.167 14.770 -20.010
279 HB3 LYS 37 3HB LYS 37 11.693 13.947 -19.520
280 HG2 LYS 37 2HG LYS 37 10.357 15.628 -20.668
281 HG3 LYS 37 3HG LYS 37 11.828 16.482 -21.141
282 HD2 LYS 37 2HD LYS 37 12.557 14.505 -22.400
283 HD3 LYS 37 3HD LYS 37 11.072 13.670 -21.938
284 HE2 LYS 37 2HE LYS 37 9.748 15.330 -23.118
285 HE3 LYS 37 3HE LYS 37 11.206 16.233 -23.524
286 HZ1 LYS 37 1HZ LYS 37 10.691 14.979 -25.415
287 HZ2 LYS 37 2HZ LYS 37 10.366 13.578 -24.524
288 HZ3 LYS 37 3HZ LYS 37 11.957 14.132 -24.680
289 H ASP 38 H ASP 38 9.917 17.097 -18.627
290 HA ASP 38 HA ASP 38 8.621 16.178 -16.287
291 HB2 ASP 38 2HB ASP 38 6.821 17.533 -16.915
292 HB3 ASP 38 3HB ASP 38 8.204 18.335 -17.655
293 H GLY 39 H GLY 39 6.867 14.769 -16.030
294 HA2 GLY 39 2HA GLY 39 5.276 13.185 -16.799
295 HA3 GLY 39 3HA GLY 39 6.149 13.088 -18.322
296 H ASN 40 H ASN 40 8.569 12.993 -16.230
297 HA ASN 40 HA ASN 40 9.172 10.299 -16.583
298 HB2 ASN 40 2HB ASN 40 10.396 12.542 -15.376
299 HB3 ASN 40 3HB ASN 40 10.386 11.267 -14.162
300 HD21 ASN 40 1HD2 ASN 40 11.432 12.149 -17.378
301 HD22 ASN 40 2HD2 ASN 40 12.676 10.957 -17.509
302 H LYS 41 H LYS 41 9.781 8.971 -14.427
303 HA LYS 41 HA LYS 41 7.223 8.290 -13.278
304 HB2 LYS 41 2HB LYS 41 9.708 6.961 -13.745
305 HB3 LYS 41 3HB LYS 41 9.326 6.836 -12.033
306 HG2 LYS 41 2HG LYS 41 7.571 5.986 -14.327
307 HG3 LYS 41 3HG LYS 41 8.449 4.930 -13.219
308 HD2 LYS 41 2HD LYS 41 7.068 6.314 -11.419
309 HD3 LYS 41 3HD LYS 41 5.970 6.509 -12.787
310 HE2 LYS 41 2HE LYS 41 6.931 3.936 -11.550
311 HE3 LYS 41 3HE LYS 41 5.288 4.574 -11.560
312 HZ1 LYS 41 1HZ LYS 41 5.132 3.130 -13.279
313 HZ2 LYS 41 2HZ LYS 41 6.772 3.227 -13.681
314 HZ3 LYS 41 3HZ LYS 41 5.713 4.459 -14.151
315 H CYS 42 H CYS 42 6.759 8.196 -11.036
316 HA CYS 42 HA CYS 42 8.559 9.514 -9.182
317 HB2 CYS 42 2HB CYS 42 7.170 11.314 -10.335
318 HB3 CYS 42 3HB CYS 42 5.772 10.618 -9.523
319 H THR 43 H THR 43 7.858 9.328 -6.955
320 HA THR 43 HA THR 43 5.714 7.380 -6.490
321 HB THR 43 HB THR 43 7.900 6.886 -4.673
322 HG1 THR 43 HG1 THR 43 8.898 7.574 -6.869
323 HG21 THR 43 1HG2 THR 43 7.608 4.565 -5.583
324 HG22 THR 43 2HG2 THR 43 6.420 5.223 -6.709
325 HG23 THR 43 3HG2 THR 43 6.129 5.305 -4.972
326 H TYR 44 H TYR 44 4.630 7.609 -4.566
327 HA TYR 44 HA TYR 44 5.578 9.669 -2.702
328 HB2 TYR 44 2HB TYR 44 4.022 10.951 -3.861
329 HB3 TYR 44 3HB TYR 44 2.955 9.582 -4.149
330 HD1 TYR 44 HD1 TYR 44 3.922 12.198 -1.790
331 HD2 TYR 44 HD2 TYR 44 1.398 8.832 -2.423
332 HE1 TYR 44 HE1 TYR 44 2.550 12.873 0.137
333 HE2 TYR 44 HE2 TYR 44 0.018 9.498 -0.499
334 HH TYR 44 HH TYR 44 0.395 12.558 1.063
335 H ASP 45 H ASP 45 5.439 9.080 -0.633
336 HA ASP 45 HA ASP 45 4.084 6.565 -0.004
337 HB2 ASP 45 2HB ASP 45 6.527 7.064 0.616
338 HB3 ASP 45 3HB ASP 45 5.866 8.123 1.859
339 H SER 46 H SER 46 2.187 6.539 0.992
340 HA SER 46 HA SER 46 1.028 9.000 1.967
341 HB2 SER 46 2HB SER 46 -0.565 7.740 0.836
342 HB3 SER 46 3HB SER 46 0.023 6.215 1.497
343 HG SER 46 HG SER 46 -1.853 7.934 2.482
344 H TYR 47 H TYR 47 2.854 6.485 3.279
345 HA TYR 47 HA TYR 47 1.705 6.526 5.919
346 HB2 TYR 47 2HB TYR 47 2.860 4.529 4.948
347 HB3 TYR 47 3HB TYR 47 4.379 5.413 5.047
348 HD1 TYR 47 HD1 TYR 47 1.599 4.048 7.093
349 HD2 TYR 47 HD2 TYR 47 5.610 5.469 7.052
350 HE1 TYR 47 HE1 TYR 47 1.893 3.267 9.407
351 HE2 TYR 47 HE2 TYR 47 5.915 4.690 9.365
352 HH TYR 47 HH TYR 47 4.827 3.962 11.221
353 H ASN 48 H ASN 48 4.598 7.850 4.360
354 HA ASN 48 HA ASN 48 5.092 9.461 6.773
355 HB2 ASN 48 2HB ASN 48 7.300 9.703 5.054
356 HB3 ASN 48 3HB ASN 48 7.214 8.781 6.552
357 HD21 ASN 48 1HD2 ASN 48 7.813 8.624 3.299
358 HD22 ASN 48 2HD2 ASN 48 7.664 6.918 3.073
359 H ARG 49 H ARG 49 3.614 9.689 3.882
360 HA ARG 49 HA ARG 49 3.021 11.383 2.481
361 HB2 ARG 49 2HB ARG 49 3.804 13.221 4.743
362 HB3 ARG 49 3HB ARG 49 2.614 13.516 3.482
363 HG2 ARG 49 2HG ARG 49 1.562 11.306 4.572
364 HG3 ARG 49 3HG ARG 49 2.387 11.972 5.983
365 HD2 ARG 49 2HD ARG 49 1.054 14.093 4.635
366 HD3 ARG 49 3HD ARG 49 -0.086 12.764 4.840
367 HE ARG 49 HE ARG 49 1.405 13.421 7.216
368 HH11 ARG 49 1HH1 ARG 49 -1.441 14.084 5.323
369 HH12 ARG 49 2HH1 ARG 49 -2.344 14.712 6.662
370 HH21 ARG 49 1HH2 ARG 49 0.226 14.246 8.986
371 HH22 ARG 49 2HH2 ARG 49 -1.394 14.805 8.744
372 H LYS 50 H LYS 50 5.823 10.499 2.504
373 HA LYS 50 HA LYS 50 7.144 12.962 1.576
374 HB2 LYS 50 2HB LYS 50 8.538 12.124 3.232
375 HB3 LYS 50 3HB LYS 50 8.177 10.450 2.833
376 HG2 LYS 50 2HG LYS 50 9.700 10.384 1.118
377 HG3 LYS 50 3HG LYS 50 9.635 12.128 0.850
378 HD2 LYS 50 2HD LYS 50 11.657 12.014 1.888
379 HD3 LYS 50 3HD LYS 50 10.631 12.143 3.319
380 HE2 LYS 50 2HE LYS 50 10.768 9.832 3.749
381 HE3 LYS 50 3HE LYS 50 11.412 9.490 2.144
382 HZ1 LYS 50 1HZ LYS 50 12.842 9.946 4.471
383 HZ2 LYS 50 2HZ LYS 50 13.103 11.303 3.495
384 HZ3 LYS 50 3HZ LYS 50 13.458 9.757 2.906
385 H VAL 51 H VAL 51 8.071 13.041 -0.443
386 HA VAL 51 HA VAL 51 7.204 10.950 -2.300
387 HB VAL 51 HB VAL 51 8.386 13.636 -3.001
388 HG11 VAL 51 1HG1 VAL 51 8.351 11.782 -4.711
389 HG12 VAL 51 2HG1 VAL 51 6.589 11.863 -4.640
390 HG13 VAL 51 3HG1 VAL 51 7.517 13.265 -5.174
391 HG21 VAL 51 1HG2 VAL 51 6.345 13.870 -1.610
392 HG22 VAL 51 2HG2 VAL 51 6.147 14.486 -3.251
393 HG23 VAL 51 3HG2 VAL 51 5.462 12.922 -2.807
394 H LYS 52 H LYS 52 8.581 9.582 -3.234
395 HA LYS 52 HA LYS 52 11.466 10.119 -2.961
396 HB2 LYS 52 2HB LYS 52 10.840 8.224 -1.606
397 HB3 LYS 52 3HB LYS 52 9.975 7.491 -2.950
398 HG2 LYS 52 2HG LYS 52 12.138 6.420 -2.532
399 HG3 LYS 52 3HG LYS 52 12.048 7.140 -4.142
400 HD2 LYS 52 2HD LYS 52 13.764 8.502 -3.718
401 HD3 LYS 52 3HD LYS 52 13.067 9.014 -2.180
402 HE2 LYS 52 2HE LYS 52 14.082 7.255 -1.009
403 HE3 LYS 52 3HE LYS 52 14.418 6.351 -2.485
404 HZ1 LYS 52 1HZ LYS 52 15.683 8.952 -1.822
405 HZ2 LYS 52 2HZ LYS 52 16.094 7.908 -3.088
406 HZ3 LYS 52 3HZ LYS 52 16.388 7.451 -1.486
407 H CYS 53 H CYS 53 12.423 10.577 -4.820
408 HA CYS 53 HA CYS 53 11.441 9.267 -7.270
409 HB2 CYS 53 2HB CYS 53 12.726 11.984 -7.296
410 HB3 CYS 53 3HB CYS 53 11.699 11.237 -8.515
411 H ASP 54 H ASP 54 12.948 8.474 -8.681
412 HA ASP 54 HA ASP 54 15.782 8.908 -8.077
413 HB2 ASP 54 2HB ASP 54 15.609 6.890 -6.967
414 HB3 ASP 54 3HB ASP 54 14.319 6.304 -8.013
415 H PHE 55 H PHE 55 17.182 8.635 -9.830
416 HA PHE 55 HA PHE 55 15.879 8.236 -12.441
417 HB2 PHE 55 2HB PHE 55 17.267 10.569 -11.439
418 HB3 PHE 55 3HB PHE 55 18.063 9.937 -12.877
419 HD1 PHE 55 HD1 PHE 55 17.497 11.244 -14.677
420 HD2 PHE 55 HD2 PHE 55 14.475 10.154 -11.884
421 HE1 PHE 55 HE1 PHE 55 15.801 12.329 -16.093
422 HE2 PHE 55 HE2 PHE 55 12.775 11.237 -13.295
423 HZ PHE 55 HZ PHE 55 13.437 12.325 -15.403
424 H ARG 56 H ARG 56 16.682 6.506 -13.411
425 HA ARG 56 HA ARG 56 19.570 6.027 -13.312
426 HB2 ARG 56 2HB ARG 56 17.414 4.162 -12.415
427 HB3 ARG 56 3HB ARG 56 18.840 3.493 -13.196
428 HG2 ARG 56 2HG ARG 56 19.131 5.394 -10.910
429 HG3 ARG 56 3HG ARG 56 18.770 3.691 -10.621
430 HD2 ARG 56 2HD ARG 56 20.914 3.188 -10.891
431 HD3 ARG 56 3HD ARG 56 20.861 3.829 -12.532
432 HE ARG 56 HE ARG 56 21.149 5.890 -10.580
433 HH11 ARG 56 1HH1 ARG 56 22.878 3.452 -12.365
434 HH12 ARG 56 2HH1 ARG 56 24.398 4.278 -12.275
435 HH21 ARG 56 1HH2 ARG 56 23.145 6.988 -10.455
436 HH22 ARG 56 2HH2 ARG 56 24.549 6.289 -11.188
437 H HIS 57 H HIS 57 20.415 4.937 -15.106
438 HA HIS 57 HA HIS 57 20.576 4.346 -17.297
439 HB2 HIS 57 2HB HIS 57 18.248 3.048 -16.318
440 HB3 HIS 57 3HB HIS 57 17.874 3.646 -17.932
441 HD1 HIS 57 HD1 HIS 57 19.424 0.871 -16.228
442 HD2 HIS 57 HD2 HIS 57 19.884 2.735 -19.912
443 HE1 HIS 57 HE1 HIS 57 20.662 -0.779 -17.667
Start of MODEL 7
1 H1 LEU 1 H LEU 1 5.852 -0.304 0.128
2 HA LEU 1 HA LEU 1 4.286 -0.900 -2.041
3 HB2 LEU 1 2HB LEU 1 2.736 -0.609 0.459
4 HB3 LEU 1 3HB LEU 1 2.105 0.227 -0.958
5 HG LEU 1 HG LEU 1 2.142 -1.975 -2.160
6 HD11 LEU 1 1HD1 LEU 1 2.098 -3.968 -0.566
7 HD12 LEU 1 2HD1 LEU 1 2.916 -2.911 0.584
8 HD13 LEU 1 3HD1 LEU 1 3.672 -3.280 -0.966
9 HD21 LEU 1 1HD2 LEU 1 0.418 -1.378 0.200
10 HD22 LEU 1 2HD2 LEU 1 0.207 -2.901 -0.664
11 HD23 LEU 1 3HD2 LEU 1 0.019 -1.369 -1.518
12 H GLU 2 H GLU 2 2.995 1.109 -2.830
13 HA GLU 2 HA GLU 2 3.484 3.658 -1.803
14 HB2 GLU 2 2HB GLU 2 5.745 2.497 -3.156
15 HB3 GLU 2 3HB GLU 2 5.169 3.898 -4.049
16 HG2 GLU 2 2HG GLU 2 5.829 5.348 -2.468
17 HG3 GLU 2 3HG GLU 2 5.399 4.268 -1.144
18 H TYR 3 H TYR 3 2.765 5.356 -3.211
19 HA TYR 3 HA TYR 3 0.783 4.424 -5.096
20 HB2 TYR 3 2HB TYR 3 1.472 7.105 -3.922
21 HB3 TYR 3 3HB TYR 3 0.356 6.971 -5.277
22 HD1 TYR 3 HD1 TYR 3 0.553 7.166 -1.813
23 HD2 TYR 3 HD2 TYR 3 -1.528 5.090 -4.889
24 HE1 TYR 3 HE1 TYR 3 -1.281 6.692 -0.244
25 HE2 TYR 3 HE2 TYR 3 -3.368 4.612 -3.329
26 HH TYR 3 HH TYR 3 -3.256 5.728 0.043
27 H LYS 4 H LYS 4 0.716 4.835 -7.281
28 HA LYS 4 HA LYS 4 3.277 5.254 -8.553
29 HB2 LYS 4 2HB LYS 4 0.540 4.691 -9.706
30 HB3 LYS 4 3HB LYS 4 2.022 4.778 -10.649
31 HG2 LYS 4 2HG LYS 4 1.376 2.779 -8.492
32 HG3 LYS 4 3HG LYS 4 1.458 2.478 -10.229
33 HD2 LYS 4 2HD LYS 4 3.896 3.437 -9.937
34 HD3 LYS 4 3HD LYS 4 3.656 2.921 -8.266
35 HE2 LYS 4 2HE LYS 4 3.388 0.676 -8.881
36 HE3 LYS 4 3HE LYS 4 3.099 1.083 -10.572
37 HZ1 LYS 4 1HZ LYS 4 5.366 1.621 -10.875
38 HZ2 LYS 4 2HZ LYS 4 5.340 0.136 -10.066
39 HZ3 LYS 4 3HZ LYS 4 5.692 1.555 -9.216
40 H GLY 5 H GLY 5 3.989 7.274 -8.800
41 HA2 GLY 5 2HA GLY 5 2.123 9.250 -9.938
42 HA3 GLY 5 3HA GLY 5 3.127 9.678 -8.561
43 H GLU 6 H GLU 6 3.132 11.013 -11.066
44 HA GLU 6 HA GLU 6 5.763 10.262 -12.150
45 HB2 GLU 6 2HB GLU 6 3.821 12.127 -13.490
46 HB3 GLU 6 3HB GLU 6 5.158 11.240 -14.207
47 HG2 GLU 6 2HG GLU 6 2.552 10.110 -13.221
48 HG3 GLU 6 3HG GLU 6 3.098 10.237 -14.892
49 H CYS 7 H CYS 7 7.055 12.167 -12.976
50 HA CYS 7 HA CYS 7 6.813 14.437 -11.111
51 HB2 CYS 7 2HB CYS 7 9.011 14.319 -10.550
52 HB3 CYS 7 3HB CYS 7 8.818 12.631 -11.012
53 H PHE 8 H PHE 8 8.130 16.374 -11.919
54 HA PHE 8 HA PHE 8 7.571 16.718 -14.789
55 HB2 PHE 8 2HB PHE 8 7.510 18.649 -12.480
56 HB3 PHE 8 3HB PHE 8 7.615 19.213 -14.144
57 HD1 PHE 8 HD1 PHE 8 5.613 16.711 -12.225
58 HD2 PHE 8 HD2 PHE 8 5.636 19.872 -15.075
59 HE1 PHE 8 HE1 PHE 8 3.167 16.536 -12.433
60 HE2 PHE 8 HE2 PHE 8 3.190 19.703 -15.287
61 HZ PHE 8 HZ PHE 8 1.953 18.034 -13.965
62 H THR 9 H THR 9 8.970 18.620 -15.705
63 HA THR 9 HA THR 9 11.559 17.767 -16.009
64 HB THR 9 HB THR 9 11.539 20.639 -16.182
65 HG1 THR 9 HG1 THR 9 9.634 21.031 -17.048
66 HG21 THR 9 1HG2 THR 9 12.490 18.498 -17.619
67 HG22 THR 9 2HG2 THR 9 12.521 20.181 -18.147
68 HG23 THR 9 3HG2 THR 9 11.207 19.120 -18.656
69 H LYS 10 H LYS 10 13.445 19.543 -15.523
70 HA LYS 10 HA LYS 10 14.201 19.140 -12.886
71 HB2 LYS 10 2HB LYS 10 15.314 20.338 -15.165
72 HB3 LYS 10 3HB LYS 10 15.352 21.582 -13.923
73 HG2 LYS 10 2HG LYS 10 17.291 20.634 -13.345
74 HG3 LYS 10 3HG LYS 10 16.272 19.436 -12.541
75 HD2 LYS 10 2HD LYS 10 17.194 17.875 -13.831
76 HD3 LYS 10 3HD LYS 10 16.426 18.637 -15.226
77 HE2 LYS 10 2HE LYS 10 18.345 19.627 -15.909
78 HE3 LYS 10 3HE LYS 10 18.923 19.887 -14.264
79 HZ1 LYS 10 1HZ LYS 10 19.531 17.565 -14.131
80 HZ2 LYS 10 2HZ LYS 10 20.282 18.279 -15.468
81 HZ3 LYS 10 3HZ LYS 10 18.934 17.281 -15.688
82 H ASP 11 H ASP 11 11.702 21.012 -13.888
83 HA ASP 11 HA ASP 11 11.970 23.328 -12.279
84 HB2 ASP 11 2HB ASP 11 10.219 22.526 -14.219
85 HB3 ASP 11 3HB ASP 11 9.229 22.378 -12.770
86 H ASN 12 H ASN 12 11.689 20.167 -11.382
87 HA ASN 12 HA ASN 12 11.247 19.109 -9.418
88 HB2 ASN 12 2HB ASN 12 12.237 21.624 -8.714
89 HB3 ASN 12 3HB ASN 12 10.797 21.420 -7.721
90 HD21 ASN 12 1HD2 ASN 12 12.993 18.929 -8.890
91 HD22 ASN 12 2HD2 ASN 12 13.533 18.418 -7.330
92 H THR 13 H THR 13 9.271 18.233 -9.909
93 HA THR 13 HA THR 13 7.031 19.190 -8.424
94 HB THR 13 HB THR 13 6.066 19.000 -11.151
95 HG1 THR 13 HG1 THR 13 7.605 21.320 -10.668
96 HG21 THR 13 1HG2 THR 13 5.786 21.560 -9.794
97 HG22 THR 13 2HG2 THR 13 5.333 20.197 -8.770
98 HG23 THR 13 3HG2 THR 13 4.547 20.426 -10.331
99 H CYS 14 H CYS 14 5.346 17.673 -8.296
100 HA CYS 14 HA CYS 14 5.577 15.214 -9.840
101 HB2 CYS 14 2HB CYS 14 6.126 15.448 -6.919
102 HB3 CYS 14 3HB CYS 14 5.247 14.029 -7.479
103 H LYS 15 H LYS 15 3.667 14.084 -10.030
104 HA LYS 15 HA LYS 15 1.329 15.168 -8.611
105 HB2 LYS 15 2HB LYS 15 1.206 16.151 -10.781
106 HB3 LYS 15 3HB LYS 15 1.612 14.631 -11.566
107 HG2 LYS 15 2HG LYS 15 -0.516 14.005 -11.645
108 HG3 LYS 15 3HG LYS 15 -0.767 14.385 -9.940
109 HD2 LYS 15 2HD LYS 15 -0.511 16.773 -11.573
110 HD3 LYS 15 3HD LYS 15 -1.839 15.739 -12.106
111 HE2 LYS 15 2HE LYS 15 -1.768 15.959 -9.226
112 HE3 LYS 15 3HE LYS 15 -1.854 17.548 -9.983
113 HZ1 LYS 15 1HZ LYS 15 -4.015 16.244 -9.474
114 HZ2 LYS 15 2HZ LYS 15 -3.651 15.408 -10.899
115 HZ3 LYS 15 3HZ LYS 15 -3.876 17.085 -10.935
116 H TYR 16 H TYR 16 0.617 13.566 -7.368
117 HA TYR 16 HA TYR 16 0.651 10.826 -8.442
118 HB2 TYR 16 2HB TYR 16 0.671 10.032 -6.158
119 HB3 TYR 16 3HB TYR 16 1.965 11.208 -6.364
120 HD1 TYR 16 HD1 TYR 16 1.530 13.601 -5.571
121 HD2 TYR 16 HD2 TYR 16 -0.928 10.307 -4.471
122 HE1 TYR 16 HE1 TYR 16 0.669 14.889 -3.661
123 HE2 TYR 16 HE2 TYR 16 -1.797 11.586 -2.559
124 HH TYR 16 HH TYR 16 -0.375 14.491 -1.493
125 H LYS 17 H LYS 17 -1.163 9.450 -7.970
126 HA LYS 17 HA LYS 17 -3.674 10.954 -7.621
127 HB2 LYS 17 2HB LYS 17 -3.460 10.103 -9.890
128 HB3 LYS 17 3HB LYS 17 -3.138 8.485 -9.282
129 HG2 LYS 17 2HG LYS 17 -5.404 8.444 -8.299
130 HG3 LYS 17 3HG LYS 17 -5.715 10.022 -9.026
131 HD2 LYS 17 2HD LYS 17 -4.728 7.862 -10.806
132 HD3 LYS 17 3HD LYS 17 -6.390 7.742 -10.224
133 HE2 LYS 17 2HE LYS 17 -5.875 10.424 -11.067
134 HE3 LYS 17 3HE LYS 17 -5.387 9.313 -12.346
135 HZ1 LYS 17 1HZ LYS 17 -7.499 8.674 -12.719
136 HZ2 LYS 17 2HZ LYS 17 -7.876 10.174 -12.034
137 HZ3 LYS 17 3HZ LYS 17 -7.952 8.771 -11.092
138 H ILE 18 H ILE 18 -5.147 10.231 -6.169
139 HA ILE 18 HA ILE 18 -4.559 7.702 -4.779
140 HB ILE 18 HB ILE 18 -5.558 10.225 -3.455
141 HG12 ILE 18 2HG1 ILE 18 -3.201 10.422 -4.133
142 HG13 ILE 18 3HG1 ILE 18 -3.358 10.327 -2.382
143 HG21 ILE 18 1HG2 ILE 18 -4.761 8.704 -1.428
144 HG22 ILE 18 2HG2 ILE 18 -6.394 8.613 -2.087
145 HG23 ILE 18 3HG2 ILE 18 -5.183 7.423 -2.564
146 HD11 ILE 18 1HD1 ILE 18 -3.039 7.697 -3.175
147 HD12 ILE 18 2HD1 ILE 18 -1.935 8.605 -4.208
148 HD13 ILE 18 3HD1 ILE 18 -1.815 8.741 -2.453
149 H ASP 19 H ASP 19 -6.329 6.529 -4.017
150 HA ASP 19 HA ASP 19 -8.596 6.435 -5.570
151 HB2 ASP 19 2HB ASP 19 -8.046 4.566 -4.182
152 HB3 ASP 19 3HB ASP 19 -8.171 5.538 -2.719
153 H GLY 20 H GLY 20 -10.201 7.826 -5.853
154 HA2 GLY 20 2HA GLY 20 -12.140 8.930 -4.919
155 HA3 GLY 20 3HA GLY 20 -11.165 9.346 -3.517
156 H LYS 21 H LYS 21 -9.330 10.848 -3.917
157 HA LYS 21 HA LYS 21 -9.932 12.727 -6.103
158 HB2 LYS 21 2HB LYS 21 -9.437 13.286 -3.192
159 HB3 LYS 21 3HB LYS 21 -9.104 14.507 -4.413
160 HG2 LYS 21 2HG LYS 21 -11.771 13.176 -3.984
161 HG3 LYS 21 3HG LYS 21 -11.316 14.769 -3.374
162 HD2 LYS 21 2HD LYS 21 -11.444 13.946 -6.275
163 HD3 LYS 21 3HD LYS 21 -12.619 14.956 -5.429
164 HE2 LYS 21 2HE LYS 21 -10.339 16.298 -4.890
165 HE3 LYS 21 3HE LYS 21 -9.938 15.615 -6.465
166 HZ1 LYS 21 1HZ LYS 21 -12.139 17.459 -5.771
167 HZ2 LYS 21 2HZ LYS 21 -12.180 16.537 -7.188
168 HZ3 LYS 21 3HZ LYS 21 -10.931 17.650 -6.940
169 H THR 22 H THR 22 -8.168 13.883 -6.960
170 HA THR 22 HA THR 22 -5.584 12.568 -6.504
171 HB THR 22 HB THR 22 -6.515 14.266 -8.827
172 HG1 THR 22 HG1 THR 22 -7.111 12.418 -9.660
173 HG21 THR 22 1HG2 THR 22 -3.923 12.762 -8.444
174 HG22 THR 22 2HG2 THR 22 -4.109 14.516 -8.428
175 HG23 THR 22 3HG2 THR 22 -4.421 13.609 -9.908
176 H TYR 23 H TYR 23 -3.757 13.693 -5.970
177 HA TYR 23 HA TYR 23 -4.009 16.596 -5.586
178 HB2 TYR 23 2HB TYR 23 -2.518 14.946 -3.578
179 HB3 TYR 23 3HB TYR 23 -3.233 16.543 -3.394
180 HD1 TYR 23 HD1 TYR 23 -4.023 12.934 -3.649
181 HD2 TYR 23 HD2 TYR 23 -5.444 16.803 -2.594
182 HE1 TYR 23 HE1 TYR 23 -6.013 11.917 -2.622
183 HE2 TYR 23 HE2 TYR 23 -7.437 15.797 -1.563
184 HH TYR 23 HH TYR 23 -7.745 12.350 -1.138
185 H LEU 24 H LEU 24 -1.807 17.597 -5.139
186 HA LEU 24 HA LEU 24 0.136 16.387 -6.980
187 HB2 LEU 24 2HB LEU 24 -0.800 19.080 -6.516
188 HB3 LEU 24 3HB LEU 24 0.955 18.986 -6.385
189 HG LEU 24 HG LEU 24 -0.174 17.666 -8.755
190 HD11 LEU 24 1HD1 LEU 24 -0.122 20.658 -8.773
191 HD12 LEU 24 2HD1 LEU 24 -1.585 19.780 -8.328
192 HD13 LEU 24 3HD1 LEU 24 -0.867 19.547 -9.922
193 HD21 LEU 24 1HD2 LEU 24 1.797 19.758 -9.125
194 HD22 LEU 24 2HD2 LEU 24 1.884 18.041 -9.518
195 HD23 LEU 24 3HD2 LEU 24 2.286 18.595 -7.892
196 H ALA 25 H ALA 25 2.353 16.335 -6.446
197 HA ALA 25 HA ALA 25 2.970 16.708 -3.591
198 HB1 ALA 25 1HB ALA 25 4.546 14.657 -4.019
199 HB2 ALA 25 2HB ALA 25 2.845 14.418 -3.616
200 HB3 ALA 25 3HB ALA 25 3.380 14.297 -5.292
201 H LYS 26 H LYS 26 5.144 17.214 -3.098
202 HA LYS 26 HA LYS 26 6.611 18.370 -5.369
203 HB2 LYS 26 2HB LYS 26 6.085 20.070 -3.803
204 HB3 LYS 26 3HB LYS 26 6.541 19.059 -2.437
205 HG2 LYS 26 2HG LYS 26 8.192 20.799 -2.858
206 HG3 LYS 26 3HG LYS 26 8.877 19.189 -3.093
207 HD2 LYS 26 2HD LYS 26 9.410 19.665 -5.201
208 HD3 LYS 26 3HD LYS 26 7.755 20.168 -5.555
209 HE2 LYS 26 2HE LYS 26 9.401 21.959 -5.959
210 HE3 LYS 26 3HE LYS 26 8.215 22.391 -4.729
211 HZ1 LYS 26 1HZ LYS 26 9.777 22.090 -3.028
212 HZ2 LYS 26 2HZ LYS 26 10.615 22.934 -4.231
213 HZ3 LYS 26 3HZ LYS 26 10.865 21.273 -4.033
214 H CYS 27 H CYS 27 8.764 17.926 -5.698
215 HA CYS 27 HA CYS 27 9.850 15.689 -4.120
216 HB2 CYS 27 2HB CYS 27 10.045 16.409 -7.020
217 HB3 CYS 27 3HB CYS 27 11.346 15.488 -6.272
218 HA PRO 28 HA PRO 28 13.304 18.063 -2.826
219 HB2 PRO 28 2HB PRO 28 15.337 16.271 -2.986
220 HB3 PRO 28 3HB PRO 28 14.074 16.183 -1.753
221 HG2 PRO 28 2HG PRO 28 14.325 14.662 -4.319
222 HG3 PRO 28 3HG PRO 28 13.850 14.077 -2.714
223 HD2 PRO 28 2HD PRO 28 12.047 14.620 -4.660
224 HD3 PRO 28 3HD PRO 28 11.688 14.846 -2.936
225 H SER 29 H SER 29 15.302 19.050 -3.477
226 HA SER 29 HA SER 29 15.487 19.344 -6.363
227 HB2 SER 29 2HB SER 29 17.424 20.887 -4.849
228 HB3 SER 29 3HB SER 29 16.129 21.447 -5.907
229 HG SER 29 HG SER 29 14.978 21.878 -4.209
230 H ALA 30 H ALA 30 16.816 17.319 -4.148
231 HA ALA 30 HA ALA 30 19.545 17.283 -4.614
232 HB1 ALA 30 1HB ALA 30 19.170 15.749 -3.029
233 HB2 ALA 30 2HB ALA 30 17.551 15.386 -3.631
234 HB3 ALA 30 3HB ALA 30 18.959 14.625 -4.372
235 H ALA 31 H ALA 31 20.794 16.794 -6.301
236 HA ALA 31 HA ALA 31 19.767 16.378 -8.870
237 HB1 ALA 31 1HB ALA 31 22.418 15.394 -8.812
238 HB2 ALA 31 2HB ALA 31 21.846 16.968 -9.365
239 HB3 ALA 31 3HB ALA 31 22.329 16.747 -7.684
240 H ASN 32 H ASN 32 20.318 14.169 -6.318
241 HA ASN 32 HA ASN 32 20.583 11.838 -8.004
242 HB2 ASN 32 2HB ASN 32 20.089 12.012 -5.023
243 HB3 ASN 32 3HB ASN 32 20.581 10.575 -5.913
244 HD21 ASN 32 1HD2 ASN 32 22.671 10.606 -6.946
245 HD22 ASN 32 2HD2 ASN 32 23.945 11.550 -6.259
246 H THR 33 H THR 33 18.046 13.588 -6.405
247 HA THR 33 HA THR 33 16.112 11.540 -7.276
248 HB THR 33 HB THR 33 14.788 13.154 -5.428
249 HG1 THR 33 HG1 THR 33 17.169 12.308 -4.172
250 HG21 THR 33 1HG2 THR 33 15.401 10.978 -3.960
251 HG22 THR 33 2HG2 THR 33 15.811 10.387 -5.570
252 HG23 THR 33 3HG2 THR 33 14.184 10.979 -5.235
253 H LYS 34 H LYS 34 17.299 14.071 -8.550
254 HA LYS 34 HA LYS 34 14.953 15.747 -8.875
255 HB2 LYS 34 2HB LYS 34 17.819 15.904 -9.635
256 HB3 LYS 34 3HB LYS 34 16.679 16.748 -10.674
257 HG2 LYS 34 2HG LYS 34 16.327 17.205 -7.791
258 HG3 LYS 34 3HG LYS 34 17.827 17.825 -8.486
259 HD2 LYS 34 2HD LYS 34 15.347 18.357 -10.007
260 HD3 LYS 34 3HD LYS 34 15.526 19.208 -8.471
261 HE2 LYS 34 2HE LYS 34 17.591 19.183 -10.668
262 HE3 LYS 34 3HE LYS 34 16.406 20.465 -10.427
263 HZ1 LYS 34 1HZ LYS 34 18.633 19.685 -8.640
264 HZ2 LYS 34 2HZ LYS 34 17.358 20.666 -8.118
265 HZ3 LYS 34 3HZ LYS 34 18.361 21.183 -9.378
266 H CYS 35 H CYS 35 14.605 16.472 -11.294
267 HA CYS 35 HA CYS 35 14.405 14.030 -12.933
268 HB2 CYS 35 2HB CYS 35 12.413 16.293 -12.684
269 HB3 CYS 35 3HB CYS 35 12.296 14.986 -13.858
270 H GLU 36 H GLU 36 15.386 14.133 -14.839
271 HA GLU 36 HA GLU 36 16.434 16.684 -15.761
272 HB2 GLU 36 2HB GLU 36 17.670 15.310 -17.409
273 HB3 GLU 36 3HB GLU 36 17.964 14.812 -15.749
274 HG2 GLU 36 2HG GLU 36 16.871 12.825 -15.998
275 HG3 GLU 36 3HG GLU 36 15.815 13.439 -17.269
276 H LYS 37 H LYS 37 13.863 14.517 -16.461
277 HA LYS 37 HA LYS 37 13.041 16.226 -18.688
278 HB2 LYS 37 2HB LYS 37 14.237 13.955 -19.348
279 HB3 LYS 37 3HB LYS 37 12.650 13.283 -19.000
280 HG2 LYS 37 2HG LYS 37 11.646 14.790 -20.637
281 HG3 LYS 37 3HG LYS 37 13.237 15.472 -20.983
282 HD2 LYS 37 2HD LYS 37 13.505 12.684 -21.224
283 HD3 LYS 37 3HD LYS 37 12.002 13.109 -22.046
284 HE2 LYS 37 2HE LYS 37 13.064 14.269 -23.672
285 HE3 LYS 37 3HE LYS 37 14.310 14.867 -22.578
286 HZ1 LYS 37 1HZ LYS 37 15.270 12.587 -22.623
287 HZ2 LYS 37 2HZ LYS 37 15.332 13.392 -24.109
288 HZ3 LYS 37 3HZ LYS 37 14.171 12.190 -23.847
289 H ASP 38 H ASP 38 10.972 16.796 -18.523
290 HA ASP 38 HA ASP 38 9.364 16.141 -16.360
291 HB2 ASP 38 2HB ASP 38 9.141 18.092 -18.016
292 HB3 ASP 38 3HB ASP 38 8.236 16.968 -19.027
293 H GLY 39 H GLY 39 7.773 14.663 -15.969
294 HA2 GLY 39 2HA GLY 39 6.200 12.994 -16.576
295 HA3 GLY 39 3HA GLY 39 7.043 12.793 -18.105
296 H ASN 40 H ASN 40 9.348 12.956 -15.748
297 HA ASN 40 HA ASN 40 10.127 10.271 -16.022
298 HB2 ASN 40 2HB ASN 40 11.191 12.614 -14.868
299 HB3 ASN 40 3HB ASN 40 11.158 11.409 -13.584
300 HD21 ASN 40 1HD2 ASN 40 13.116 12.692 -15.749
301 HD22 ASN 40 2HD2 ASN 40 14.116 11.338 -16.139
302 H LYS 41 H LYS 41 10.682 9.069 -13.775
303 HA LYS 41 HA LYS 41 8.121 8.246 -12.769
304 HB2 LYS 41 2HB LYS 41 10.757 7.158 -12.902
305 HB3 LYS 41 3HB LYS 41 10.231 7.123 -11.224
306 HG2 LYS 41 2HG LYS 41 8.801 5.915 -13.582
307 HG3 LYS 41 3HG LYS 41 9.659 5.050 -12.305
308 HD2 LYS 41 2HD LYS 41 7.972 6.430 -10.779
309 HD3 LYS 41 3HD LYS 41 7.005 6.382 -12.255
310 HE2 LYS 41 2HE LYS 41 8.092 4.049 -10.689
311 HE3 LYS 41 3HE LYS 41 6.402 4.498 -10.912
312 HZ1 LYS 41 1HZ LYS 41 6.621 2.855 -12.459
313 HZ2 LYS 41 2HZ LYS 41 8.243 3.203 -12.790
314 HZ3 LYS 41 3HZ LYS 41 7.022 4.192 -13.416
315 H CYS 42 H CYS 42 7.428 8.290 -10.596
316 HA CYS 42 HA CYS 42 8.900 9.908 -8.688
317 HB2 CYS 42 2HB CYS 42 7.460 11.457 -10.128
318 HB3 CYS 42 3HB CYS 42 6.069 10.699 -9.360
319 H THR 43 H THR 43 7.992 9.816 -6.532
320 HA THR 43 HA THR 43 5.930 7.797 -6.085
321 HB THR 43 HB THR 43 7.922 7.278 -4.138
322 HG1 THR 43 HG1 THR 43 9.730 7.404 -5.215
323 HG21 THR 43 1HG2 THR 43 7.955 5.115 -5.806
324 HG22 THR 43 2HG2 THR 43 6.406 5.857 -6.207
325 HG23 THR 43 3HG2 THR 43 6.758 5.396 -4.542
326 H TYR 44 H TYR 44 4.892 7.955 -4.081
327 HA TYR 44 HA TYR 44 5.703 10.168 -2.336
328 HB2 TYR 44 2HB TYR 44 4.055 11.322 -3.464
329 HB3 TYR 44 3HB TYR 44 3.118 9.871 -3.801
330 HD1 TYR 44 HD1 TYR 44 1.045 9.879 -2.809
331 HD2 TYR 44 HD2 TYR 44 4.311 11.625 -0.715
332 HE1 TYR 44 HE1 TYR 44 -0.450 10.404 -0.927
333 HE2 TYR 44 HE2 TYR 44 2.826 12.153 1.173
334 HH TYR 44 HH TYR 44 -0.508 12.074 0.966
335 H ASP 45 H ASP 45 5.936 9.393 -0.358
336 HA ASP 45 HA ASP 45 4.455 7.000 0.439
337 HB2 ASP 45 2HB ASP 45 6.991 7.232 0.703
338 HB3 ASP 45 3HB ASP 45 6.639 8.352 2.016
339 H SER 46 H SER 46 2.685 7.170 1.630
340 HA SER 46 HA SER 46 1.958 9.694 2.828
341 HB2 SER 46 2HB SER 46 -0.188 8.877 2.919
342 HB3 SER 46 3HB SER 46 0.454 7.839 1.645
343 HG SER 46 HG SER 46 -0.702 6.930 3.657
344 H TYR 47 H TYR 47 3.373 6.724 3.839
345 HA TYR 47 HA TYR 47 2.648 6.774 6.570
346 HB2 TYR 47 2HB TYR 47 3.633 4.820 5.290
347 HB3 TYR 47 3HB TYR 47 5.197 5.615 5.439
348 HD1 TYR 47 HD1 TYR 47 2.479 3.963 7.299
349 HD2 TYR 47 HD2 TYR 47 6.397 5.608 7.512
350 HE1 TYR 47 HE1 TYR 47 2.788 2.925 9.507
351 HE2 TYR 47 HE2 TYR 47 6.718 4.574 9.720
352 HH TYR 47 HH TYR 47 5.697 3.517 11.423
353 H ASN 48 H ASN 48 5.433 8.072 4.808
354 HA ASN 48 HA ASN 48 6.263 9.474 7.259
355 HB2 ASN 48 2HB ASN 48 8.259 9.743 5.276
356 HB3 ASN 48 3HB ASN 48 8.327 8.780 6.749
357 HD21 ASN 48 1HD2 ASN 48 8.554 8.691 3.459
358 HD22 ASN 48 2HD2 ASN 48 8.295 7.002 3.204
359 H ARG 49 H ARG 49 4.492 9.987 4.573
360 HA ARG 49 HA ARG 49 3.795 11.818 3.417
361 HB2 ARG 49 2HB ARG 49 5.049 13.484 5.592
362 HB3 ARG 49 3HB ARG 49 3.654 13.872 4.595
363 HG2 ARG 49 2HG ARG 49 2.618 11.763 5.732
364 HG3 ARG 49 3HG ARG 49 3.854 12.065 6.954
365 HD2 ARG 49 2HD ARG 49 2.963 14.504 6.874
366 HD3 ARG 49 3HD ARG 49 1.539 13.773 6.135
367 HE ARG 49 HE ARG 49 2.296 12.446 8.543
368 HH11 ARG 49 1HH1 ARG 49 0.648 15.240 7.280
369 HH12 ARG 49 2HH1 ARG 49 -0.373 15.427 8.668
370 HH21 ARG 49 1HH2 ARG 49 0.958 12.681 10.375
371 HH22 ARG 49 2HH2 ARG 49 -0.195 13.971 10.427
372 H LYS 50 H LYS 50 6.574 10.772 3.076
373 HA LYS 50 HA LYS 50 7.903 13.195 2.071
374 HB2 LYS 50 2HB LYS 50 9.440 12.113 3.442
375 HB3 LYS 50 3HB LYS 50 8.903 10.512 2.951
376 HG2 LYS 50 2HG LYS 50 10.262 10.456 1.153
377 HG3 LYS 50 3HG LYS 50 10.094 12.184 0.835
378 HD2 LYS 50 2HD LYS 50 12.259 12.155 1.548
379 HD3 LYS 50 3HD LYS 50 11.455 12.349 3.107
380 HE2 LYS 50 2HE LYS 50 12.910 10.621 3.555
381 HE3 LYS 50 3HE LYS 50 11.450 9.740 3.107
382 HZ1 LYS 50 1HZ LYS 50 12.673 10.059 0.734
383 HZ2 LYS 50 2HZ LYS 50 12.806 8.679 1.703
384 HZ3 LYS 50 3HZ LYS 50 14.001 9.875 1.767
385 H VAL 51 H VAL 51 8.332 13.460 -0.058
386 HA VAL 51 HA VAL 51 7.378 11.347 -1.877
387 HB VAL 51 HB VAL 51 7.566 14.315 -2.412
388 HG11 VAL 51 1HG1 VAL 51 7.855 12.704 -4.356
389 HG12 VAL 51 2HG1 VAL 51 6.174 12.242 -4.084
390 HG13 VAL 51 3HG1 VAL 51 6.575 13.907 -4.507
391 HG21 VAL 51 1HG2 VAL 51 5.791 13.436 -0.762
392 HG22 VAL 51 2HG2 VAL 51 5.268 14.486 -2.079
393 HG23 VAL 51 3HG2 VAL 51 5.024 12.743 -2.191
394 H LYS 52 H LYS 52 8.906 10.315 -2.963
395 HA LYS 52 HA LYS 52 11.440 11.717 -3.513
396 HB2 LYS 52 2HB LYS 52 11.710 9.825 -1.978
397 HB3 LYS 52 3HB LYS 52 10.947 8.755 -3.146
398 HG2 LYS 52 2HG LYS 52 12.845 9.480 -4.727
399 HG3 LYS 52 3HG LYS 52 13.642 10.047 -3.258
400 HD2 LYS 52 2HD LYS 52 13.823 7.905 -2.378
401 HD3 LYS 52 3HD LYS 52 12.530 7.271 -3.399
402 HE2 LYS 52 2HE LYS 52 13.977 6.693 -4.989
403 HE3 LYS 52 3HE LYS 52 14.696 8.302 -4.999
404 HZ1 LYS 52 1HZ LYS 52 15.792 7.404 -2.806
405 HZ2 LYS 52 2HZ LYS 52 16.467 7.074 -4.320
406 HZ3 LYS 52 3HZ LYS 52 15.526 5.904 -3.542
407 H CYS 53 H CYS 53 12.254 11.716 -5.560
408 HA CYS 53 HA CYS 53 10.574 10.465 -7.634
409 HB2 CYS 53 2HB CYS 53 12.033 13.091 -7.569
410 HB3 CYS 53 3HB CYS 53 11.645 12.320 -9.103
411 H ASP 54 H ASP 54 11.546 9.344 -9.284
412 HA ASP 54 HA ASP 54 14.470 9.152 -9.287
413 HB2 ASP 54 2HB ASP 54 13.994 6.586 -9.710
414 HB3 ASP 54 3HB ASP 54 14.127 7.227 -8.074
415 H PHE 55 H PHE 55 15.387 8.561 -11.267
416 HA PHE 55 HA PHE 55 13.523 8.397 -13.539
417 HB2 PHE 55 2HB PHE 55 15.261 9.748 -14.824
418 HB3 PHE 55 3HB PHE 55 14.311 10.629 -13.633
419 HD1 PHE 55 HD1 PHE 55 15.349 11.021 -11.342
420 HD2 PHE 55 HD2 PHE 55 17.585 9.762 -14.738
421 HE1 PHE 55 HE1 PHE 55 17.420 11.797 -10.262
422 HE2 PHE 55 HE2 PHE 55 19.659 10.535 -13.664
423 HZ PHE 55 HZ PHE 55 19.578 11.553 -11.423
424 H ARG 56 H ARG 56 14.787 7.729 -15.593
425 HA ARG 56 HA ARG 56 17.017 5.944 -15.061
426 HB2 ARG 56 2HB ARG 56 14.260 5.028 -15.657
427 HB3 ARG 56 3HB ARG 56 15.560 4.218 -16.522
428 HG2 ARG 56 2HG ARG 56 16.217 3.091 -14.712
429 HG3 ARG 56 3HG ARG 56 16.066 4.503 -13.664
430 HD2 ARG 56 2HD ARG 56 14.443 3.097 -12.813
431 HD3 ARG 56 3HD ARG 56 13.514 4.099 -13.927
432 HE ARG 56 HE ARG 56 13.132 2.248 -15.225
433 HH11 ARG 56 1HH1 ARG 56 15.681 1.560 -12.957
434 HH12 ARG 56 2HH1 ARG 56 15.732 -0.132 -13.327
435 HH21 ARG 56 1HH2 ARG 56 13.189 0.023 -15.722
436 HH22 ARG 56 2HH2 ARG 56 14.314 -1.005 -14.901
437 H HIS 57 H HIS 57 18.183 5.361 -16.921
438 HA HIS 57 HA HIS 57 19.136 5.789 -18.945
439 HB2 HIS 57 2HB HIS 57 17.445 4.472 -19.914
440 HB3 HIS 57 3HB HIS 57 16.206 5.688 -19.621
441 HD1 HIS 57 HD1 HIS 57 18.605 4.529 -22.136
442 HD2 HIS 57 HD2 HIS 57 16.375 7.959 -21.409
443 HE1 HIS 57 HE1 HIS 57 18.627 5.816 -24.296
Start of MODEL 8
1 H1 LEU 1 H LEU 1 4.636 -2.926 -1.842
2 HA LEU 1 HA LEU 1 3.149 -1.535 -3.254
3 HB2 LEU 1 2HB LEU 1 2.571 -2.480 -0.828
4 HB3 LEU 1 3HB LEU 1 2.413 -0.757 -0.490
5 HG LEU 1 HG LEU 1 0.957 -1.925 -2.820
6 HD11 LEU 1 1HD1 LEU 1 -0.966 -2.352 -1.290
7 HD12 LEU 1 2HD1 LEU 1 0.142 -2.171 0.069
8 HD13 LEU 1 3HD1 LEU 1 0.381 -3.473 -1.096
9 HD21 LEU 1 1HD2 LEU 1 -0.527 -0.086 -1.246
10 HD22 LEU 1 2HD2 LEU 1 0.112 0.124 -2.876
11 HD23 LEU 1 3HD2 LEU 1 1.093 0.572 -1.479
12 H GLU 2 H GLU 2 2.309 0.542 -3.686
13 HA GLU 2 HA GLU 2 2.960 2.887 -2.317
14 HB2 GLU 2 2HB GLU 2 5.067 1.876 -4.041
15 HB3 GLU 2 3HB GLU 2 4.536 3.476 -4.539
16 HG2 GLU 2 2HG GLU 2 5.568 4.449 -2.835
17 HG3 GLU 2 3HG GLU 2 4.881 3.314 -1.674
18 H TYR 3 H TYR 3 2.397 4.846 -3.538
19 HA TYR 3 HA TYR 3 0.174 4.308 -5.304
20 HB2 TYR 3 2HB TYR 3 1.267 6.784 -3.993
21 HB3 TYR 3 3HB TYR 3 0.033 6.891 -5.243
22 HD1 TYR 3 HD1 TYR 3 -2.025 5.217 -4.833
23 HD2 TYR 3 HD2 TYR 3 0.546 6.744 -1.806
24 HE1 TYR 3 HE1 TYR 3 -3.771 4.806 -3.150
25 HE2 TYR 3 HE2 TYR 3 -1.193 6.336 -0.115
26 HH TYR 3 HH TYR 3 -3.202 5.472 0.289
27 H LYS 4 H LYS 4 -0.035 4.958 -7.430
28 HA LYS 4 HA LYS 4 2.438 5.158 -8.908
29 HB2 LYS 4 2HB LYS 4 -0.437 5.134 -9.847
30 HB3 LYS 4 3HB LYS 4 0.970 5.061 -10.900
31 HG2 LYS 4 2HG LYS 4 0.154 3.010 -8.853
32 HG3 LYS 4 3HG LYS 4 0.043 2.857 -10.608
33 HD2 LYS 4 2HD LYS 4 2.501 3.067 -10.747
34 HD3 LYS 4 3HD LYS 4 2.574 3.126 -8.985
35 HE2 LYS 4 2HE LYS 4 1.619 0.842 -10.704
36 HE3 LYS 4 3HE LYS 4 3.064 0.889 -9.694
37 HZ1 LYS 4 1HZ LYS 4 1.374 1.314 -7.809
38 HZ2 LYS 4 2HZ LYS 4 1.578 -0.261 -8.390
39 HZ3 LYS 4 3HZ LYS 4 0.244 0.656 -8.883
40 H GLY 5 H GLY 5 3.421 7.064 -9.089
41 HA2 GLY 5 2HA GLY 5 1.763 9.406 -9.771
42 HA3 GLY 5 3HA GLY 5 3.011 9.524 -8.540
43 H GLU 6 H GLU 6 2.845 11.087 -10.926
44 HA GLU 6 HA GLU 6 5.186 10.103 -12.418
45 HB2 GLU 6 2HB GLU 6 3.344 12.261 -13.406
46 HB3 GLU 6 3HB GLU 6 4.428 11.230 -14.330
47 HG2 GLU 6 2HG GLU 6 2.436 10.269 -14.849
48 HG3 GLU 6 3HG GLU 6 2.861 9.326 -13.421
49 H CYS 7 H CYS 7 6.553 11.919 -13.343
50 HA CYS 7 HA CYS 7 6.845 14.064 -11.343
51 HB2 CYS 7 2HB CYS 7 8.975 13.478 -10.988
52 HB3 CYS 7 3HB CYS 7 8.666 12.022 -11.928
53 H PHE 8 H PHE 8 7.814 16.048 -12.120
54 HA PHE 8 HA PHE 8 7.026 16.595 -14.886
55 HB2 PHE 8 2HB PHE 8 6.946 18.087 -12.404
56 HB3 PHE 8 3HB PHE 8 7.766 19.003 -13.664
57 HD1 PHE 8 HD1 PHE 8 6.584 19.681 -15.680
58 HD2 PHE 8 HD2 PHE 8 4.604 17.581 -12.552
59 HE1 PHE 8 HE1 PHE 8 4.408 20.319 -16.634
60 HE2 PHE 8 HE2 PHE 8 2.425 18.214 -13.502
61 HZ PHE 8 HZ PHE 8 2.324 19.584 -15.546
62 H THR 9 H THR 9 8.413 18.379 -15.951
63 HA THR 9 HA THR 9 10.881 17.367 -16.620
64 HB THR 9 HB THR 9 10.984 20.244 -16.790
65 HG1 THR 9 HG1 THR 9 8.990 20.206 -18.227
66 HG21 THR 9 1HG2 THR 9 11.700 19.747 -18.857
67 HG22 THR 9 2HG2 THR 9 10.282 18.757 -19.203
68 HG23 THR 9 3HG2 THR 9 11.648 18.065 -18.330
69 H LYS 10 H LYS 10 12.891 19.096 -16.408
70 HA LYS 10 HA LYS 10 14.027 18.608 -13.932
71 HB2 LYS 10 2HB LYS 10 14.834 19.804 -16.311
72 HB3 LYS 10 3HB LYS 10 15.020 21.076 -15.111
73 HG2 LYS 10 2HG LYS 10 16.113 18.336 -14.612
74 HG3 LYS 10 3HG LYS 10 17.003 19.506 -15.589
75 HD2 LYS 10 2HD LYS 10 16.008 20.040 -12.792
76 HD3 LYS 10 3HD LYS 10 17.640 19.487 -13.175
77 HE2 LYS 10 2HE LYS 10 16.971 21.743 -14.811
78 HE3 LYS 10 3HE LYS 10 16.670 22.130 -13.118
79 HZ1 LYS 10 1HZ LYS 10 18.842 22.142 -12.661
80 HZ2 LYS 10 2HZ LYS 10 19.071 22.273 -14.332
81 HZ3 LYS 10 3HZ LYS 10 19.161 20.759 -13.582
82 H ASP 11 H ASP 11 11.452 20.570 -14.498
83 HA ASP 11 HA ASP 11 12.013 22.817 -12.868
84 HB2 ASP 11 2HB ASP 11 9.571 21.592 -14.053
85 HB3 ASP 11 3HB ASP 11 9.349 22.720 -12.718
86 H ASN 12 H ASN 12 11.815 19.641 -12.035
87 HA ASN 12 HA ASN 12 11.605 18.511 -10.073
88 HB2 ASN 12 2HB ASN 12 12.487 21.200 -9.337
89 HB3 ASN 12 3HB ASN 12 11.606 20.392 -8.044
90 HD21 ASN 12 1HD2 ASN 12 12.309 17.815 -8.296
91 HD22 ASN 12 2HD2 ASN 12 14.010 17.620 -8.066
92 H THR 13 H THR 13 9.522 17.763 -10.310
93 HA THR 13 HA THR 13 7.605 18.716 -8.428
94 HB THR 13 HB THR 13 6.064 18.789 -10.805
95 HG1 THR 13 HG1 THR 13 7.132 20.705 -11.735
96 HG21 THR 13 1HG2 THR 13 6.921 21.007 -8.940
97 HG22 THR 13 2HG2 THR 13 5.537 19.937 -8.710
98 HG23 THR 13 3HG2 THR 13 5.561 21.071 -10.060
99 H CYS 14 H CYS 14 5.706 17.359 -8.314
100 HA CYS 14 HA CYS 14 5.723 14.936 -9.932
101 HB2 CYS 14 2HB CYS 14 6.369 15.051 -7.024
102 HB3 CYS 14 3HB CYS 14 5.383 13.709 -7.595
103 H LYS 15 H LYS 15 3.739 13.913 -10.061
104 HA LYS 15 HA LYS 15 1.521 15.124 -8.558
105 HB2 LYS 15 2HB LYS 15 1.579 16.100 -10.817
106 HB3 LYS 15 3HB LYS 15 1.509 14.487 -11.515
107 HG2 LYS 15 2HG LYS 15 -0.684 15.053 -11.657
108 HG3 LYS 15 3HG LYS 15 -0.681 14.332 -10.046
109 HD2 LYS 15 2HD LYS 15 -0.507 16.522 -9.029
110 HD3 LYS 15 3HD LYS 15 -0.381 17.281 -10.618
111 HE2 LYS 15 2HE LYS 15 -2.754 15.649 -9.734
112 HE3 LYS 15 3HE LYS 15 -2.650 17.397 -9.534
113 HZ1 LYS 15 1HZ LYS 15 -3.695 17.289 -11.533
114 HZ2 LYS 15 2HZ LYS 15 -2.980 15.822 -11.976
115 HZ3 LYS 15 3HZ LYS 15 -2.096 17.260 -12.086
116 H TYR 16 H TYR 16 0.712 13.554 -7.336
117 HA TYR 16 HA TYR 16 0.470 10.857 -8.498
118 HB2 TYR 16 2HB TYR 16 0.647 9.951 -6.258
119 HB3 TYR 16 3HB TYR 16 2.021 11.007 -6.564
120 HD1 TYR 16 HD1 TYR 16 1.929 13.382 -5.631
121 HD2 TYR 16 HD2 TYR 16 -0.739 10.304 -4.402
122 HE1 TYR 16 HE1 TYR 16 1.411 14.654 -3.591
123 HE2 TYR 16 HE2 TYR 16 -1.265 11.568 -2.359
124 HH TYR 16 HH TYR 16 0.566 14.163 -1.280
125 H LYS 17 H LYS 17 -1.378 9.584 -7.745
126 HA LYS 17 HA LYS 17 -3.703 11.281 -7.110
127 HB2 LYS 17 2HB LYS 17 -3.839 10.545 -9.414
128 HB3 LYS 17 3HB LYS 17 -3.554 8.877 -8.936
129 HG2 LYS 17 2HG LYS 17 -5.685 8.945 -7.656
130 HG3 LYS 17 3HG LYS 17 -5.980 10.551 -8.327
131 HD2 LYS 17 2HD LYS 17 -7.005 9.483 -10.004
132 HD3 LYS 17 3HD LYS 17 -5.384 9.054 -10.556
133 HE2 LYS 17 2HE LYS 17 -6.178 6.950 -10.432
134 HE3 LYS 17 3HE LYS 17 -5.802 7.122 -8.718
135 HZ1 LYS 17 1HZ LYS 17 -8.125 7.901 -8.406
136 HZ2 LYS 17 2HZ LYS 17 -8.004 6.291 -8.910
137 HZ3 LYS 17 3HZ LYS 17 -8.443 7.492 -10.017
138 H ILE 18 H ILE 18 -5.079 10.598 -5.542
139 HA ILE 18 HA ILE 18 -4.545 7.971 -4.321
140 HB ILE 18 HB ILE 18 -5.227 10.486 -2.797
141 HG12 ILE 18 2HG1 ILE 18 -2.953 10.600 -3.715
142 HG13 ILE 18 3HG1 ILE 18 -2.916 10.399 -1.967
143 HG21 ILE 18 1HG2 ILE 18 -4.827 7.630 -2.042
144 HG22 ILE 18 2HG2 ILE 18 -4.370 8.896 -0.903
145 HG23 ILE 18 3HG2 ILE 18 -6.034 8.786 -1.479
146 HD11 ILE 18 1HD1 ILE 18 -2.834 7.815 -2.878
147 HD12 ILE 18 2HD1 ILE 18 -1.868 8.691 -4.066
148 HD13 ILE 18 3HD1 ILE 18 -1.451 8.776 -2.355
149 H ASP 19 H ASP 19 -6.310 6.888 -3.429
150 HA ASP 19 HA ASP 19 -8.727 7.040 -4.738
151 HB2 ASP 19 2HB ASP 19 -7.816 5.789 -2.196
152 HB3 ASP 19 3HB ASP 19 -9.554 5.899 -2.464
153 H GLY 20 H GLY 20 -10.258 8.539 -4.764
154 HA2 GLY 20 2HA GLY 20 -11.995 9.719 -3.571
155 HA3 GLY 20 3HA GLY 20 -10.851 9.981 -2.263
156 H LYS 21 H LYS 21 -8.951 11.368 -2.791
157 HA LYS 21 HA LYS 21 -9.651 13.424 -4.781
158 HB2 LYS 21 2HB LYS 21 -8.775 13.749 -1.925
159 HB3 LYS 21 3HB LYS 21 -8.482 15.020 -3.105
160 HG2 LYS 21 2HG LYS 21 -11.186 13.874 -2.436
161 HG3 LYS 21 3HG LYS 21 -10.530 15.383 -1.796
162 HD2 LYS 21 2HD LYS 21 -11.060 14.767 -4.703
163 HD3 LYS 21 3HD LYS 21 -12.040 15.807 -3.666
164 HE2 LYS 21 2HE LYS 21 -9.544 16.873 -3.353
165 HE3 LYS 21 3HE LYS 21 -9.509 16.351 -5.036
166 HZ1 LYS 21 1HZ LYS 21 -11.272 18.329 -3.751
167 HZ2 LYS 21 2HZ LYS 21 -11.772 17.541 -5.161
168 HZ3 LYS 21 3HZ LYS 21 -10.362 18.475 -5.169
169 H THR 22 H THR 22 -7.916 14.494 -5.790
170 HA THR 22 HA THR 22 -5.411 12.967 -5.728
171 HB THR 22 HB THR 22 -6.477 14.873 -7.820
172 HG1 THR 22 HG1 THR 22 -7.550 12.911 -7.913
173 HG21 THR 22 1HG2 THR 22 -4.461 13.449 -8.995
174 HG22 THR 22 2HG2 THR 22 -3.819 13.720 -7.374
175 HG23 THR 22 3HG2 THR 22 -4.308 15.090 -8.371
176 H TYR 23 H TYR 23 -3.452 13.915 -5.348
177 HA TYR 23 HA TYR 23 -3.419 16.798 -4.781
178 HB2 TYR 23 2HB TYR 23 -1.850 14.903 -3.067
179 HB3 TYR 23 3HB TYR 23 -2.381 16.543 -2.711
180 HD1 TYR 23 HD1 TYR 23 -4.454 16.950 -1.640
181 HD2 TYR 23 HD2 TYR 23 -3.528 13.040 -3.039
182 HE1 TYR 23 HE1 TYR 23 -6.397 16.061 -0.423
183 HE2 TYR 23 HE2 TYR 23 -5.469 12.140 -1.826
184 HH TYR 23 HH TYR 23 -6.926 12.673 -0.030
185 H LEU 24 H LEU 24 -1.099 17.595 -4.540
186 HA LEU 24 HA LEU 24 0.510 16.364 -6.670
187 HB2 LEU 24 2HB LEU 24 -0.263 18.728 -6.934
188 HB3 LEU 24 3HB LEU 24 0.734 19.149 -5.544
189 HG LEU 24 HG LEU 24 2.668 18.136 -6.969
190 HD11 LEU 24 1HD1 LEU 24 2.286 18.584 -9.401
191 HD12 LEU 24 2HD1 LEU 24 0.564 18.716 -9.043
192 HD13 LEU 24 3HD1 LEU 24 1.410 17.195 -8.758
193 HD21 LEU 24 1HD2 LEU 24 1.622 20.736 -8.003
194 HD22 LEU 24 2HD2 LEU 24 3.272 20.276 -7.580
195 HD23 LEU 24 3HD2 LEU 24 2.089 20.588 -6.309
196 H ALA 25 H ALA 25 2.745 16.078 -6.405
197 HA ALA 25 HA ALA 25 3.688 16.180 -3.614
198 HB1 ALA 25 1HB ALA 25 3.524 13.917 -3.872
199 HB2 ALA 25 2HB ALA 25 3.815 13.980 -5.610
200 HB3 ALA 25 3HB ALA 25 5.159 14.170 -4.484
201 H LYS 26 H LYS 26 5.871 16.671 -3.273
202 HA LYS 26 HA LYS 26 7.223 17.880 -5.595
203 HB2 LYS 26 2HB LYS 26 6.660 19.607 -4.054
204 HB3 LYS 26 3HB LYS 26 7.220 18.660 -2.682
205 HG2 LYS 26 2HG LYS 26 8.756 20.484 -3.282
206 HG3 LYS 26 3HG LYS 26 9.509 18.891 -3.394
207 HD2 LYS 26 2HD LYS 26 9.985 19.211 -5.544
208 HD3 LYS 26 3HD LYS 26 8.300 19.594 -5.905
209 HE2 LYS 26 2HE LYS 26 10.016 21.649 -4.588
210 HE3 LYS 26 3HE LYS 26 10.197 21.358 -6.317
211 HZ1 LYS 26 1HZ LYS 26 7.554 21.881 -5.100
212 HZ2 LYS 26 2HZ LYS 26 8.007 22.006 -6.725
213 HZ3 LYS 26 3HZ LYS 26 8.564 23.142 -5.602
214 H CYS 27 H CYS 27 9.355 17.427 -5.976
215 HA CYS 27 HA CYS 27 10.562 15.353 -4.265
216 HB2 CYS 27 2HB CYS 27 10.599 15.751 -7.242
217 HB3 CYS 27 3HB CYS 27 11.887 14.853 -6.446
218 HA PRO 28 HA PRO 28 14.039 17.918 -3.502
219 HB2 PRO 28 2HB PRO 28 16.075 16.123 -3.510
220 HB3 PRO 28 3HB PRO 28 14.880 16.215 -2.211
221 HG2 PRO 28 2HG PRO 28 15.008 14.337 -4.538
222 HG3 PRO 28 3HG PRO 28 14.624 13.992 -2.841
223 HD2 PRO 28 2HD PRO 28 12.714 14.244 -4.745
224 HD3 PRO 28 3HD PRO 28 12.447 14.719 -3.055
225 H SER 29 H SER 29 15.980 18.811 -4.401
226 HA SER 29 HA SER 29 15.991 18.729 -7.296
227 HB2 SER 29 2HB SER 29 17.477 20.643 -7.163
228 HB3 SER 29 3HB SER 29 16.135 20.881 -6.044
229 HG SER 29 HG SER 29 17.976 21.375 -4.933
230 H ALA 30 H ALA 30 17.261 16.731 -5.153
231 HA ALA 30 HA ALA 30 19.969 16.515 -5.482
232 HB1 ALA 30 1HB ALA 30 19.170 13.885 -5.590
233 HB2 ALA 30 2HB ALA 30 19.418 14.833 -4.123
234 HB3 ALA 30 3HB ALA 30 17.803 14.688 -4.817
235 H ALA 31 H ALA 31 21.345 15.994 -7.074
236 HA ALA 31 HA ALA 31 20.634 16.060 -9.749
237 HB1 ALA 31 1HB ALA 31 23.057 15.124 -8.286
238 HB2 ALA 31 2HB ALA 31 22.924 14.818 -10.019
239 HB3 ALA 31 3HB ALA 31 22.868 16.471 -9.408
240 H ASN 32 H ASN 32 20.981 13.288 -7.597
241 HA ASN 32 HA ASN 32 20.506 11.389 -9.724
242 HB2 ASN 32 2HB ASN 32 21.906 11.119 -7.493
243 HB3 ASN 32 3HB ASN 32 20.346 10.627 -6.839
244 HD21 ASN 32 1HD2 ASN 32 22.607 9.989 -9.475
245 HD22 ASN 32 2HD2 ASN 32 22.238 8.308 -9.621
246 H THR 33 H THR 33 18.593 13.378 -7.841
247 HA THR 33 HA THR 33 16.259 11.607 -8.172
248 HB THR 33 HB THR 33 16.403 13.873 -6.190
249 HG1 THR 33 HG1 THR 33 17.223 12.504 -4.718
250 HG21 THR 33 1HG2 THR 33 14.433 11.870 -6.972
251 HG22 THR 33 2HG2 THR 33 14.224 13.366 -6.061
252 HG23 THR 33 3HG2 THR 33 14.737 11.895 -5.236
253 H LYS 34 H LYS 34 17.633 13.858 -9.828
254 HA LYS 34 HA LYS 34 15.449 15.762 -10.072
255 HB2 LYS 34 2HB LYS 34 18.185 15.537 -11.294
256 HB3 LYS 34 3HB LYS 34 16.995 16.653 -11.950
257 HG2 LYS 34 2HG LYS 34 17.040 17.058 -9.163
258 HG3 LYS 34 3HG LYS 34 18.719 16.975 -9.702
259 HD2 LYS 34 2HD LYS 34 16.941 18.571 -11.415
260 HD3 LYS 34 3HD LYS 34 17.179 19.212 -9.788
261 HE2 LYS 34 2HE LYS 34 18.822 20.106 -11.373
262 HE3 LYS 34 3HE LYS 34 19.588 19.161 -10.097
263 HZ1 LYS 34 1HZ LYS 34 20.316 17.643 -11.552
264 HZ2 LYS 34 2HZ LYS 34 20.067 18.845 -12.715
265 HZ3 LYS 34 3HZ LYS 34 18.891 17.655 -12.463
266 H CYS 35 H CYS 35 14.401 16.191 -12.106
267 HA CYS 35 HA CYS 35 13.987 13.733 -13.646
268 HB2 CYS 35 2HB CYS 35 12.336 16.251 -13.385
269 HB3 CYS 35 3HB CYS 35 11.944 14.938 -14.490
270 H GLU 36 H GLU 36 14.607 13.542 -15.706
271 HA GLU 36 HA GLU 36 15.978 15.790 -16.946
272 HB2 GLU 36 2HB GLU 36 17.178 13.729 -17.028
273 HB3 GLU 36 3HB GLU 36 15.777 12.863 -17.643
274 HG2 GLU 36 2HG GLU 36 17.426 13.234 -19.387
275 HG3 GLU 36 3HG GLU 36 15.920 14.080 -19.740
276 H LYS 37 H LYS 37 13.011 14.043 -17.198
277 HA LYS 37 HA LYS 37 12.106 15.864 -19.274
278 HB2 LYS 37 2HB LYS 37 13.084 13.699 -20.310
279 HB3 LYS 37 3HB LYS 37 11.632 12.926 -19.688
280 HG2 LYS 37 2HG LYS 37 10.327 14.701 -20.948
281 HG3 LYS 37 3HG LYS 37 11.848 15.092 -21.754
282 HD2 LYS 37 2HD LYS 37 11.304 12.237 -21.736
283 HD3 LYS 37 3HD LYS 37 10.026 13.159 -22.530
284 HE2 LYS 37 2HE LYS 37 11.526 12.694 -24.252
285 HE3 LYS 37 3HE LYS 37 11.934 14.342 -23.777
286 HZ1 LYS 37 1HZ LYS 37 13.882 12.874 -24.093
287 HZ2 LYS 37 2HZ LYS 37 13.355 11.930 -22.792
288 HZ3 LYS 37 3HZ LYS 37 13.796 13.544 -22.542
289 H ASP 38 H ASP 38 9.921 16.251 -19.219
290 HA ASP 38 HA ASP 38 8.554 15.676 -16.813
291 HB2 ASP 38 2HB ASP 38 6.564 16.661 -18.066
292 HB3 ASP 38 3HB ASP 38 7.980 17.697 -17.904
293 H GLY 39 H GLY 39 6.838 14.311 -16.368
294 HA2 GLY 39 2HA GLY 39 5.187 12.700 -16.925
295 HA3 GLY 39 3HA GLY 39 6.001 12.435 -18.460
296 H ASN 40 H ASN 40 8.449 12.508 -16.348
297 HA ASN 40 HA ASN 40 9.059 9.800 -16.511
298 HB2 ASN 40 2HB ASN 40 10.286 12.103 -15.483
299 HB3 ASN 40 3HB ASN 40 10.200 10.982 -14.127
300 HD21 ASN 40 1HD2 ASN 40 11.641 11.690 -17.160
301 HD22 ASN 40 2HD2 ASN 40 12.764 10.377 -17.182
302 H LYS 41 H LYS 41 9.617 8.592 -14.285
303 HA LYS 41 HA LYS 41 7.028 8.061 -13.095
304 HB2 LYS 41 2HB LYS 41 9.380 6.557 -13.618
305 HB3 LYS 41 3HB LYS 41 9.120 6.535 -11.879
306 HG2 LYS 41 2HG LYS 41 7.133 5.710 -13.985
307 HG3 LYS 41 3HG LYS 41 8.050 4.635 -12.928
308 HD2 LYS 41 2HD LYS 41 6.923 6.144 -11.055
309 HD3 LYS 41 3HD LYS 41 5.714 6.369 -12.322
310 HE2 LYS 41 2HE LYS 41 6.682 3.720 -11.248
311 HE3 LYS 41 3HE LYS 41 5.147 4.494 -10.854
312 HZ1 LYS 41 1HZ LYS 41 5.936 3.055 -13.247
313 HZ2 LYS 41 2HZ LYS 41 5.017 4.450 -13.511
314 HZ3 LYS 41 3HZ LYS 41 4.412 3.212 -12.530
315 H CYS 42 H CYS 42 6.610 8.066 -10.846
316 HA CYS 42 HA CYS 42 8.533 9.345 -9.082
317 HB2 CYS 42 2HB CYS 42 7.152 11.155 -10.245
318 HB3 CYS 42 3HB CYS 42 5.775 10.537 -9.338
319 H THR 43 H THR 43 7.883 9.265 -6.825
320 HA THR 43 HA THR 43 5.729 7.351 -6.251
321 HB THR 43 HB THR 43 7.963 6.990 -4.439
322 HG1 THR 43 HG1 THR 43 9.253 5.872 -6.082
323 HG21 THR 43 1HG2 THR 43 7.623 4.605 -5.157
324 HG22 THR 43 2HG2 THR 43 6.386 5.186 -6.271
325 HG23 THR 43 3HG2 THR 43 6.180 5.402 -4.533
326 H TYR 44 H TYR 44 4.656 7.661 -4.330
327 HA TYR 44 HA TYR 44 5.598 9.806 -2.564
328 HB2 TYR 44 2HB TYR 44 4.064 11.057 -3.777
329 HB3 TYR 44 3HB TYR 44 2.992 9.684 -4.036
330 HD1 TYR 44 HD1 TYR 44 3.970 12.343 -1.716
331 HD2 TYR 44 HD2 TYR 44 1.373 9.033 -2.346
332 HE1 TYR 44 HE1 TYR 44 2.572 13.090 0.165
333 HE2 TYR 44 HE2 TYR 44 -0.033 9.771 -0.468
334 HH TYR 44 HH TYR 44 0.703 12.748 1.319
335 H ASP 45 H ASP 45 5.443 9.305 -0.474
336 HA ASP 45 HA ASP 45 4.053 6.836 0.254
337 HB2 ASP 45 2HB ASP 45 6.498 7.313 0.865
338 HB3 ASP 45 3HB ASP 45 5.858 8.452 2.046
339 H SER 46 H SER 46 2.146 6.883 1.226
340 HA SER 46 HA SER 46 1.052 9.406 2.138
341 HB2 SER 46 2HB SER 46 -0.443 8.043 0.860
342 HB3 SER 46 3HB SER 46 -0.120 6.633 1.869
343 HG SER 46 HG SER 46 -1.910 7.334 2.785
344 H TYR 47 H TYR 47 2.696 6.774 3.495
345 HA TYR 47 HA TYR 47 1.500 6.883 6.104
346 HB2 TYR 47 2HB TYR 47 2.726 4.893 5.002
347 HB3 TYR 47 3HB TYR 47 4.204 5.708 5.501
348 HD1 TYR 47 HD1 TYR 47 1.416 3.670 6.553
349 HD2 TYR 47 HD2 TYR 47 4.616 6.107 7.940
350 HE1 TYR 47 HE1 TYR 47 1.213 2.656 8.785
351 HE2 TYR 47 HE2 TYR 47 4.423 5.099 10.175
352 HH TYR 47 HH TYR 47 3.052 2.361 10.846
353 H ASN 48 H ASN 48 4.491 8.079 4.628
354 HA ASN 48 HA ASN 48 4.988 9.667 7.055
355 HB2 ASN 48 2HB ASN 48 7.175 9.661 5.151
356 HB3 ASN 48 3HB ASN 48 7.169 9.186 6.846
357 HD21 ASN 48 1HD2 ASN 48 7.832 8.119 3.864
358 HD22 ASN 48 2HD2 ASN 48 7.562 6.425 4.071
359 H ARG 49 H ARG 49 3.600 9.959 4.121
360 HA ARG 49 HA ARG 49 3.069 11.692 2.745
361 HB2 ARG 49 2HB ARG 49 3.949 13.351 5.116
362 HB3 ARG 49 3HB ARG 49 3.008 13.938 3.751
363 HG2 ARG 49 2HG ARG 49 1.195 12.407 4.346
364 HG3 ARG 49 3HG ARG 49 2.139 11.834 5.722
365 HD2 ARG 49 2HD ARG 49 2.087 14.646 5.886
366 HD3 ARG 49 3HD ARG 49 0.441 14.130 5.521
367 HE ARG 49 HE ARG 49 1.251 12.473 7.535
368 HH11 ARG 49 1HH1 ARG 49 1.037 15.922 7.113
369 HH12 ARG 49 2HH1 ARG 49 0.751 16.241 8.791
370 HH21 ARG 49 1HH2 ARG 49 0.874 12.880 9.747
371 HH22 ARG 49 2HH2 ARG 49 0.659 14.510 10.289
372 H LYS 50 H LYS 50 5.862 10.644 2.854
373 HA LYS 50 HA LYS 50 7.338 12.996 1.892
374 HB2 LYS 50 2HB LYS 50 9.291 11.992 2.543
375 HB3 LYS 50 3HB LYS 50 8.189 11.262 3.704
376 HG2 LYS 50 2HG LYS 50 7.983 9.306 2.179
377 HG3 LYS 50 3HG LYS 50 9.235 10.028 1.166
378 HD2 LYS 50 2HD LYS 50 9.615 9.434 4.095
379 HD3 LYS 50 3HD LYS 50 10.031 8.293 2.814
380 HE2 LYS 50 2HE LYS 50 11.921 9.379 2.336
381 HE3 LYS 50 3HE LYS 50 11.106 10.942 2.315
382 HZ1 LYS 50 1HZ LYS 50 12.719 9.776 4.354
383 HZ2 LYS 50 2HZ LYS 50 11.208 10.234 4.960
384 HZ3 LYS 50 3HZ LYS 50 12.190 11.375 4.187
385 H VAL 51 H VAL 51 8.225 13.066 -0.144
386 HA VAL 51 HA VAL 51 7.139 11.125 -2.049
387 HB VAL 51 HB VAL 51 8.539 13.716 -2.701
388 HG11 VAL 51 1HG1 VAL 51 6.668 11.949 -4.274
389 HG12 VAL 51 2HG1 VAL 51 7.298 13.504 -4.820
390 HG13 VAL 51 3HG1 VAL 51 8.398 12.152 -4.546
391 HG21 VAL 51 1HG2 VAL 51 5.576 13.253 -2.372
392 HG22 VAL 51 2HG2 VAL 51 6.601 14.142 -1.244
393 HG23 VAL 51 3HG2 VAL 51 6.353 14.754 -2.879
394 H LYS 52 H LYS 52 8.373 9.680 -3.063
395 HA LYS 52 HA LYS 52 11.299 9.947 -2.825
396 HB2 LYS 52 2HB LYS 52 10.391 8.044 -1.562
397 HB3 LYS 52 3HB LYS 52 9.640 7.426 -3.028
398 HG2 LYS 52 2HG LYS 52 12.077 7.462 -3.953
399 HG3 LYS 52 3HG LYS 52 12.516 7.469 -2.243
400 HD2 LYS 52 2HD LYS 52 11.146 5.445 -1.912
401 HD3 LYS 52 3HD LYS 52 10.785 5.427 -3.640
402 HE2 LYS 52 2HE LYS 52 12.619 3.881 -2.956
403 HE3 LYS 52 3HE LYS 52 13.082 5.056 -4.186
404 HZ1 LYS 52 1HZ LYS 52 13.537 5.784 -1.394
405 HZ2 LYS 52 2HZ LYS 52 14.458 6.138 -2.768
406 HZ3 LYS 52 3HZ LYS 52 14.552 4.605 -2.060
407 H CYS 53 H CYS 53 12.411 10.161 -4.650
408 HA CYS 53 HA CYS 53 11.322 9.062 -7.138
409 HB2 CYS 53 2HB CYS 53 12.468 11.851 -7.005
410 HB3 CYS 53 3HB CYS 53 11.651 11.085 -8.363
411 H ASP 54 H ASP 54 12.853 8.447 -8.650
412 HA ASP 54 HA ASP 54 15.673 8.893 -8.009
413 HB2 ASP 54 2HB ASP 54 15.542 6.814 -7.007
414 HB3 ASP 54 3HB ASP 54 14.273 6.254 -8.093
415 H PHE 55 H PHE 55 16.850 9.343 -9.760
416 HA PHE 55 HA PHE 55 16.021 8.350 -12.373
417 HB2 PHE 55 2HB PHE 55 16.522 11.292 -11.892
418 HB3 PHE 55 3HB PHE 55 16.055 10.534 -13.411
419 HD1 PHE 55 HD1 PHE 55 13.780 9.500 -13.603
420 HD2 PHE 55 HD2 PHE 55 14.916 11.954 -10.316
421 HE1 PHE 55 HE1 PHE 55 11.408 9.849 -13.048
422 HE2 PHE 55 HE2 PHE 55 12.546 12.306 -9.755
423 HZ PHE 55 HZ PHE 55 10.789 11.252 -11.122
424 H ARG 56 H ARG 56 17.693 9.151 -14.079
425 HA ARG 56 HA ARG 56 20.351 9.612 -13.062
426 HB2 ARG 56 2HB ARG 56 19.492 6.935 -14.096
427 HB3 ARG 56 3HB ARG 56 21.136 7.490 -14.380
428 HG2 ARG 56 2HG ARG 56 20.939 7.969 -11.744
429 HG3 ARG 56 3HG ARG 56 19.838 6.598 -11.894
430 HD2 ARG 56 2HD ARG 56 21.549 5.235 -12.847
431 HD3 ARG 56 3HD ARG 56 22.639 6.613 -13.000
432 HE ARG 56 HE ARG 56 23.258 6.297 -10.828
433 HH11 ARG 56 1HH1 ARG 56 20.215 4.693 -11.365
434 HH12 ARG 56 2HH1 ARG 56 20.177 3.958 -9.797
435 HH21 ARG 56 1HH2 ARG 56 23.220 5.334 -8.760
436 HH22 ARG 56 2HH2 ARG 56 21.886 4.324 -8.316
437 H HIS 57 H HIS 57 21.824 10.228 -14.671
438 HA HIS 57 HA HIS 57 22.488 11.181 -16.627
439 HB2 HIS 57 2HB HIS 57 21.734 8.785 -17.383
440 HB3 HIS 57 3HB HIS 57 20.398 9.652 -18.135
441 HD1 HIS 57 HD1 HIS 57 21.977 8.334 -20.151
442 HD2 HIS 57 HD2 HIS 57 23.202 11.988 -18.600
443 HE1 HIS 57 HE1 HIS 57 23.539 9.303 -21.867
Start of MODEL 9
1 H1 LEU 1 H LEU 1 2.214 -2.096 -2.440
2 HA LEU 1 HA LEU 1 4.357 -1.411 -2.911
3 HB2 LEU 1 2HB LEU 1 3.444 -1.444 -5.765
4 HB3 LEU 1 3HB LEU 1 4.998 -1.941 -5.097
5 HG LEU 1 HG LEU 1 2.378 -3.419 -4.885
6 HD11 LEU 1 1HD1 LEU 1 4.779 -4.686 -6.011
7 HD12 LEU 1 2HD1 LEU 1 4.095 -3.374 -6.971
8 HD13 LEU 1 3HD1 LEU 1 3.097 -4.761 -6.537
9 HD21 LEU 1 1HD2 LEU 1 4.164 -5.163 -3.949
10 HD22 LEU 1 2HD2 LEU 1 3.278 -4.055 -2.902
11 HD23 LEU 1 3HD2 LEU 1 4.926 -3.671 -3.398
12 H GLU 2 H GLU 2 3.119 0.804 -2.129
13 HA GLU 2 HA GLU 2 3.242 3.075 -2.187
14 HB2 GLU 2 2HB GLU 2 5.578 2.153 -3.512
15 HB3 GLU 2 3HB GLU 2 4.971 3.532 -4.418
16 HG2 GLU 2 2HG GLU 2 6.526 4.334 -2.811
17 HG3 GLU 2 3HG GLU 2 4.913 4.823 -2.295
18 H TYR 3 H TYR 3 2.670 4.981 -3.491
19 HA TYR 3 HA TYR 3 0.616 4.288 -5.403
20 HB2 TYR 3 2HB TYR 3 1.467 6.834 -4.053
21 HB3 TYR 3 3HB TYR 3 0.348 6.869 -5.411
22 HD1 TYR 3 HD1 TYR 3 0.596 6.685 -1.920
23 HD2 TYR 3 HD2 TYR 3 -1.697 5.197 -5.180
24 HE1 TYR 3 HE1 TYR 3 -1.267 6.212 -0.385
25 HE2 TYR 3 HE2 TYR 3 -3.567 4.721 -3.655
26 HH TYR 3 HH TYR 3 -4.163 4.530 -1.476
27 H LYS 4 H LYS 4 0.543 4.856 -7.554
28 HA LYS 4 HA LYS 4 3.108 5.208 -8.837
29 HB2 LYS 4 2HB LYS 4 0.327 4.884 -9.978
30 HB3 LYS 4 3HB LYS 4 1.798 4.951 -10.940
31 HG2 LYS 4 2HG LYS 4 1.067 2.848 -8.914
32 HG3 LYS 4 3HG LYS 4 1.112 2.664 -10.669
33 HD2 LYS 4 2HD LYS 4 3.584 3.366 -10.457
34 HD3 LYS 4 3HD LYS 4 3.391 2.983 -8.745
35 HE2 LYS 4 2HE LYS 4 2.965 1.124 -11.081
36 HE3 LYS 4 3HE LYS 4 4.278 1.062 -9.906
37 HZ1 LYS 4 1HZ LYS 4 2.687 -0.564 -9.294
38 HZ2 LYS 4 2HZ LYS 4 1.402 0.529 -9.418
39 HZ3 LYS 4 3HZ LYS 4 2.539 0.699 -8.177
40 H GLY 5 H GLY 5 3.939 7.190 -8.983
41 HA2 GLY 5 2HA GLY 5 2.166 9.353 -9.916
42 HA3 GLY 5 3HA GLY 5 3.259 9.620 -8.565
43 H GLU 6 H GLU 6 3.225 11.101 -11.000
44 HA GLU 6 HA GLU 6 5.768 10.272 -12.231
45 HB2 GLU 6 2HB GLU 6 5.017 11.967 -14.037
46 HB3 GLU 6 3HB GLU 6 4.236 10.393 -13.978
47 HG2 GLU 6 2HG GLU 6 2.344 11.353 -12.795
48 HG3 GLU 6 3HG GLU 6 3.130 12.931 -12.798
49 H CYS 7 H CYS 7 7.104 12.164 -13.040
50 HA CYS 7 HA CYS 7 7.071 14.329 -11.040
51 HB2 CYS 7 2HB CYS 7 9.226 13.956 -10.537
52 HB3 CYS 7 3HB CYS 7 9.045 12.418 -11.374
53 H PHE 8 H PHE 8 8.116 16.346 -11.760
54 HA PHE 8 HA PHE 8 7.491 16.852 -14.583
55 HB2 PHE 8 2HB PHE 8 7.575 18.615 -12.148
56 HB3 PHE 8 3HB PHE 8 7.626 19.304 -13.767
57 HD1 PHE 8 HD1 PHE 8 5.625 20.062 -14.568
58 HD2 PHE 8 HD2 PHE 8 5.650 16.699 -11.959
59 HE1 PHE 8 HE1 PHE 8 3.170 19.951 -14.693
60 HE2 PHE 8 HE2 PHE 8 3.196 16.582 -12.080
61 HZ PHE 8 HZ PHE 8 1.952 18.209 -13.449
62 H THR 9 H THR 9 8.855 18.758 -15.494
63 HA THR 9 HA THR 9 11.424 17.902 -15.961
64 HB THR 9 HB THR 9 11.491 20.741 -16.113
65 HG1 THR 9 HG1 THR 9 9.389 21.110 -16.166
66 HG21 THR 9 1HG2 THR 9 12.184 18.648 -17.675
67 HG22 THR 9 2HG2 THR 9 12.073 20.310 -18.257
68 HG23 THR 9 3HG2 THR 9 10.730 19.195 -18.508
69 H LYS 10 H LYS 10 13.329 19.679 -15.533
70 HA LYS 10 HA LYS 10 14.218 19.215 -12.946
71 HB2 LYS 10 2HB LYS 10 15.260 20.377 -15.240
72 HB3 LYS 10 3HB LYS 10 15.280 21.688 -14.068
73 HG2 LYS 10 2HG LYS 10 17.193 20.858 -13.320
74 HG3 LYS 10 3HG LYS 10 16.268 19.501 -12.673
75 HD2 LYS 10 2HD LYS 10 17.493 18.195 -14.005
76 HD3 LYS 10 3HD LYS 10 16.579 18.876 -15.352
77 HE2 LYS 10 2HE LYS 10 18.308 20.143 -16.050
78 HE3 LYS 10 3HE LYS 10 18.830 20.516 -14.408
79 HZ1 LYS 10 1HZ LYS 10 19.981 18.721 -16.171
80 HZ2 LYS 10 2HZ LYS 10 19.258 17.779 -14.967
81 HZ3 LYS 10 3HZ LYS 10 20.387 18.966 -14.546
82 H ASP 11 H ASP 11 11.673 21.103 -13.778
83 HA ASP 11 HA ASP 11 12.025 23.394 -12.150
84 HB2 ASP 11 2HB ASP 11 9.629 22.040 -13.360
85 HB3 ASP 11 3HB ASP 11 9.434 23.405 -12.264
86 H ASN 12 H ASN 12 11.807 20.218 -11.284
87 HA ASN 12 HA ASN 12 11.502 19.137 -9.306
88 HB2 ASN 12 2HB ASN 12 12.517 21.628 -8.626
89 HB3 ASN 12 3HB ASN 12 11.098 21.465 -7.596
90 HD21 ASN 12 1HD2 ASN 12 13.240 18.933 -8.786
91 HD22 ASN 12 2HD2 ASN 12 13.799 18.426 -7.232
92 H THR 13 H THR 13 9.503 18.263 -9.795
93 HA THR 13 HA THR 13 7.334 19.103 -8.142
94 HB THR 13 HB THR 13 6.199 19.052 -10.797
95 HG1 THR 13 HG1 THR 13 8.390 20.057 -11.124
96 HG21 THR 13 1HG2 THR 13 6.074 21.555 -9.297
97 HG22 THR 13 2HG2 THR 13 5.630 20.143 -8.338
98 HG23 THR 13 3HG2 THR 13 4.774 20.495 -9.839
99 H CYS 14 H CYS 14 5.535 17.623 -8.200
100 HA CYS 14 HA CYS 14 5.829 15.215 -9.801
101 HB2 CYS 14 2HB CYS 14 6.355 15.351 -6.880
102 HB3 CYS 14 3HB CYS 14 5.418 13.976 -7.456
103 H LYS 15 H LYS 15 3.930 14.057 -10.044
104 HA LYS 15 HA LYS 15 1.547 15.179 -8.726
105 HB2 LYS 15 2HB LYS 15 1.556 16.001 -10.990
106 HB3 LYS 15 3HB LYS 15 1.881 14.393 -11.624
107 HG2 LYS 15 2HG LYS 15 -0.429 14.964 -11.985
108 HG3 LYS 15 3HG LYS 15 -0.319 13.651 -10.810
109 HD2 LYS 15 2HD LYS 15 -1.601 14.877 -9.462
110 HD3 LYS 15 3HD LYS 15 -0.234 15.979 -9.284
111 HE2 LYS 15 2HE LYS 15 -1.109 17.514 -10.723
112 HE3 LYS 15 3HE LYS 15 -1.943 16.297 -11.687
113 HZ1 LYS 15 1HZ LYS 15 -2.934 16.566 -8.990
114 HZ2 LYS 15 2HZ LYS 15 -3.782 16.467 -10.450
115 HZ3 LYS 15 3HZ LYS 15 -3.143 17.949 -9.943
116 H TYR 16 H TYR 16 0.771 13.665 -7.415
117 HA TYR 16 HA TYR 16 0.784 10.868 -8.343
118 HB2 TYR 16 2HB TYR 16 0.987 10.140 -6.085
119 HB3 TYR 16 3HB TYR 16 2.181 11.416 -6.302
120 HD1 TYR 16 HD1 TYR 16 1.371 13.826 -5.626
121 HD2 TYR 16 HD2 TYR 16 -0.407 10.218 -4.240
122 HE1 TYR 16 HE1 TYR 16 0.437 15.034 -3.698
123 HE2 TYR 16 HE2 TYR 16 -1.347 11.416 -2.309
124 HH TYR 16 HH TYR 16 -0.358 14.529 -1.419
125 H LYS 17 H LYS 17 -1.048 9.583 -7.919
126 HA LYS 17 HA LYS 17 -3.501 11.128 -7.384
127 HB2 LYS 17 2HB LYS 17 -3.463 10.390 -9.681
128 HB3 LYS 17 3HB LYS 17 -3.065 8.747 -9.193
129 HG2 LYS 17 2HG LYS 17 -5.226 8.427 -8.240
130 HG3 LYS 17 3HG LYS 17 -5.629 10.133 -8.448
131 HD2 LYS 17 2HD LYS 17 -6.124 9.881 -10.636
132 HD3 LYS 17 3HD LYS 17 -4.824 8.717 -10.901
133 HE2 LYS 17 2HE LYS 17 -6.688 7.395 -11.186
134 HE3 LYS 17 3HE LYS 17 -6.334 7.136 -9.478
135 HZ1 LYS 17 1HZ LYS 17 -8.293 9.124 -10.488
136 HZ2 LYS 17 2HZ LYS 17 -8.028 8.687 -8.875
137 HZ3 LYS 17 3HZ LYS 17 -8.705 7.573 -9.953
138 H ILE 18 H ILE 18 -4.933 10.376 -5.903
139 HA ILE 18 HA ILE 18 -4.331 7.789 -4.629
140 HB ILE 18 HB ILE 18 -5.265 10.267 -3.178
141 HG12 ILE 18 2HG1 ILE 18 -2.941 10.502 -3.942
142 HG13 ILE 18 3HG1 ILE 18 -3.019 10.326 -2.192
143 HG21 ILE 18 1HG2 ILE 18 -4.519 8.790 -1.193
144 HG22 ILE 18 2HG2 ILE 18 -6.074 8.466 -1.959
145 HG23 ILE 18 3HG2 ILE 18 -4.678 7.456 -2.336
146 HD11 ILE 18 1HD1 ILE 18 -1.472 8.757 -2.412
147 HD12 ILE 18 2HD1 ILE 18 -2.731 7.737 -3.109
148 HD13 ILE 18 3HD1 ILE 18 -1.685 8.689 -4.161
149 H ASP 19 H ASP 19 -6.090 6.616 -3.830
150 HA ASP 19 HA ASP 19 -8.407 6.584 -5.307
151 HB2 ASP 19 2HB ASP 19 -7.689 4.725 -3.871
152 HB3 ASP 19 3HB ASP 19 -8.074 5.677 -2.440
153 H GLY 20 H GLY 20 -10.008 7.995 -5.506
154 HA2 GLY 20 2HA GLY 20 -11.903 9.093 -4.469
155 HA3 GLY 20 3HA GLY 20 -10.861 9.490 -3.110
156 H LYS 21 H LYS 21 -9.053 10.996 -3.563
157 HA LYS 21 HA LYS 21 -9.728 12.889 -5.716
158 HB2 LYS 21 2HB LYS 21 -9.135 13.429 -2.819
159 HB3 LYS 21 3HB LYS 21 -8.839 14.657 -4.043
160 HG2 LYS 21 2HG LYS 21 -11.494 13.330 -3.533
161 HG3 LYS 21 3HG LYS 21 -11.015 14.919 -2.932
162 HD2 LYS 21 2HD LYS 21 -11.244 14.109 -5.831
163 HD3 LYS 21 3HD LYS 21 -12.384 15.121 -4.941
164 HE2 LYS 21 2HE LYS 21 -9.975 16.371 -4.502
165 HE3 LYS 21 3HE LYS 21 -9.825 15.804 -6.164
166 HZ1 LYS 21 1HZ LYS 21 -10.779 17.964 -6.205
167 HZ2 LYS 21 2HZ LYS 21 -11.949 17.552 -5.054
168 HZ3 LYS 21 3HZ LYS 21 -12.009 16.872 -6.602
169 H THR 22 H THR 22 -7.995 14.039 -6.635
170 HA THR 22 HA THR 22 -5.397 12.725 -6.267
171 HB THR 22 HB THR 22 -6.406 14.426 -8.556
172 HG1 THR 22 HG1 THR 22 -6.167 12.309 -9.636
173 HG21 THR 22 1HG2 THR 22 -4.033 14.732 -8.366
174 HG22 THR 22 2HG2 THR 22 -4.333 13.619 -9.701
175 HG23 THR 22 3HG2 THR 22 -3.778 13.001 -8.145
176 H TYR 23 H TYR 23 -3.553 13.851 -5.796
177 HA TYR 23 HA TYR 23 -3.787 16.754 -5.410
178 HB2 TYR 23 2HB TYR 23 -2.231 15.133 -3.434
179 HB3 TYR 23 3HB TYR 23 -2.985 16.711 -3.236
180 HD1 TYR 23 HD1 TYR 23 -5.206 16.914 -2.424
181 HD2 TYR 23 HD2 TYR 23 -3.656 13.079 -3.422
182 HE1 TYR 23 HE1 TYR 23 -7.146 15.856 -1.344
183 HE2 TYR 23 HE2 TYR 23 -5.592 12.010 -2.346
184 HH TYR 23 HH TYR 23 -7.433 13.249 -0.226
185 H LEU 24 H LEU 24 -1.565 17.743 -5.014
186 HA LEU 24 HA LEU 24 0.304 16.552 -6.936
187 HB2 LEU 24 2HB LEU 24 -0.563 18.869 -7.305
188 HB3 LEU 24 3HB LEU 24 0.286 19.358 -5.840
189 HG LEU 24 HG LEU 24 2.396 18.476 -7.045
190 HD11 LEU 24 1HD1 LEU 24 1.283 17.343 -8.872
191 HD12 LEU 24 2HD1 LEU 24 2.279 18.659 -9.492
192 HD13 LEU 24 3HD1 LEU 24 0.530 18.854 -9.382
193 HD21 LEU 24 1HD2 LEU 24 0.899 21.004 -7.491
194 HD22 LEU 24 2HD2 LEU 24 2.342 20.708 -8.462
195 HD23 LEU 24 3HD2 LEU 24 2.453 20.731 -6.701
196 H ALA 25 H ALA 25 2.517 16.379 -6.473
197 HA ALA 25 HA ALA 25 3.224 16.610 -3.621
198 HB1 ALA 25 1HB ALA 25 3.365 14.383 -3.604
199 HB2 ALA 25 2HB ALA 25 3.291 14.279 -5.363
200 HB3 ALA 25 3HB ALA 25 4.832 14.588 -4.563
201 H LYS 26 H LYS 26 5.413 17.081 -3.150
202 HA LYS 26 HA LYS 26 6.847 18.341 -5.392
203 HB2 LYS 26 2HB LYS 26 6.283 20.012 -3.807
204 HB3 LYS 26 3HB LYS 26 6.749 18.993 -2.452
205 HG2 LYS 26 2HG LYS 26 8.371 20.770 -2.850
206 HG3 LYS 26 3HG LYS 26 9.085 19.173 -3.089
207 HD2 LYS 26 2HD LYS 26 9.618 19.663 -5.194
208 HD3 LYS 26 3HD LYS 26 7.962 20.157 -5.552
209 HE2 LYS 26 2HE LYS 26 9.642 21.949 -5.918
210 HE3 LYS 26 3HE LYS 26 8.391 22.378 -4.752
211 HZ1 LYS 26 1HZ LYS 26 10.714 22.974 -4.100
212 HZ2 LYS 26 2HZ LYS 26 11.045 21.322 -3.960
213 HZ3 LYS 26 3HZ LYS 26 9.879 22.038 -2.966
214 H CYS 27 H CYS 27 9.002 17.923 -5.721
215 HA CYS 27 HA CYS 27 10.116 15.688 -4.159
216 HB2 CYS 27 2HB CYS 27 10.219 16.401 -7.048
217 HB3 CYS 27 3HB CYS 27 11.641 15.633 -6.351
218 HA PRO 28 HA PRO 28 13.549 18.074 -2.833
219 HB2 PRO 28 2HB PRO 28 15.623 16.340 -3.088
220 HB3 PRO 28 3HB PRO 28 14.378 16.173 -1.844
221 HG2 PRO 28 2HG PRO 28 14.632 14.759 -4.470
222 HG3 PRO 28 3HG PRO 28 14.192 14.101 -2.884
223 HD2 PRO 28 2HD PRO 28 12.351 14.675 -4.784
224 HD3 PRO 28 3HD PRO 28 12.010 14.825 -3.049
225 H SER 29 H SER 29 15.381 19.254 -3.497
226 HA SER 29 HA SER 29 15.567 19.607 -6.364
227 HB2 SER 29 2HB SER 29 17.450 21.175 -4.793
228 HB3 SER 29 3HB SER 29 16.152 21.718 -5.855
229 HG SER 29 HG SER 29 16.073 22.136 -3.430
230 H ALA 30 H ALA 30 17.049 17.628 -4.166
231 HA ALA 30 HA ALA 30 19.754 17.704 -4.672
232 HB1 ALA 30 1HB ALA 30 19.611 16.009 -3.248
233 HB2 ALA 30 2HB ALA 30 17.892 15.809 -3.593
234 HB3 ALA 30 3HB ALA 30 19.093 14.979 -4.584
235 H ALA 31 H ALA 31 21.003 17.367 -6.392
236 HA ALA 31 HA ALA 31 20.000 17.006 -8.967
237 HB1 ALA 31 1HB ALA 31 22.510 17.491 -7.797
238 HB2 ALA 31 2HB ALA 31 22.706 16.082 -8.841
239 HB3 ALA 31 3HB ALA 31 22.072 17.589 -9.503
240 H ASN 32 H ASN 32 20.736 14.694 -6.521
241 HA ASN 32 HA ASN 32 20.972 12.459 -8.335
242 HB2 ASN 32 2HB ASN 32 21.631 12.951 -5.632
243 HB3 ASN 32 3HB ASN 32 20.438 11.655 -5.626
244 HD21 ASN 32 1HD2 ASN 32 23.666 12.511 -6.195
245 HD22 ASN 32 2HD2 ASN 32 24.223 10.980 -6.770
246 H THR 33 H THR 33 18.468 14.091 -6.608
247 HA THR 33 HA THR 33 16.564 11.972 -7.369
248 HB THR 33 HB THR 33 15.106 13.205 -5.555
249 HG1 THR 33 HG1 THR 33 16.758 13.744 -3.806
250 HG21 THR 33 1HG2 THR 33 16.704 10.900 -5.591
251 HG22 THR 33 2HG2 THR 33 15.373 11.263 -4.492
252 HG23 THR 33 3HG2 THR 33 17.026 11.682 -4.044
253 H LYS 34 H LYS 34 17.615 14.511 -8.739
254 HA LYS 34 HA LYS 34 15.197 16.098 -8.998
255 HB2 LYS 34 2HB LYS 34 18.022 16.346 -9.918
256 HB3 LYS 34 3HB LYS 34 16.781 17.191 -10.834
257 HG2 LYS 34 2HG LYS 34 16.598 17.561 -7.936
258 HG3 LYS 34 3HG LYS 34 18.078 18.189 -8.665
259 HD2 LYS 34 2HD LYS 34 15.589 18.805 -10.115
260 HD3 LYS 34 3HD LYS 34 15.751 19.562 -8.529
261 HE2 LYS 34 2HE LYS 34 18.087 19.656 -10.360
262 HE3 LYS 34 3HE LYS 34 16.705 20.682 -10.740
263 HZ1 LYS 34 1HZ LYS 34 16.856 21.616 -8.500
264 HZ2 LYS 34 2HZ LYS 34 18.280 21.868 -9.376
265 HZ3 LYS 34 3HZ LYS 34 18.221 20.667 -8.187
266 H CYS 35 H CYS 35 14.723 16.772 -11.401
267 HA CYS 35 HA CYS 35 14.579 14.306 -13.010
268 HB2 CYS 35 2HB CYS 35 12.501 16.475 -12.668
269 HB3 CYS 35 3HB CYS 35 12.405 15.209 -13.888
270 H GLU 36 H GLU 36 15.309 14.420 -15.041
271 HA GLU 36 HA GLU 36 16.357 16.967 -15.981
272 HB2 GLU 36 2HB GLU 36 17.897 15.185 -16.209
273 HB3 GLU 36 3HB GLU 36 16.682 14.117 -16.898
274 HG2 GLU 36 2HG GLU 36 18.342 14.969 -18.532
275 HG3 GLU 36 3HG GLU 36 16.667 15.327 -18.947
276 H LYS 37 H LYS 37 13.694 14.862 -16.539
277 HA LYS 37 HA LYS 37 12.679 16.686 -18.574
278 HB2 LYS 37 2HB LYS 37 13.910 14.577 -19.558
279 HB3 LYS 37 3HB LYS 37 12.417 13.756 -19.121
280 HG2 LYS 37 2HG LYS 37 11.144 15.274 -20.520
281 HG3 LYS 37 3HG LYS 37 12.615 16.164 -20.919
282 HD2 LYS 37 2HD LYS 37 13.483 14.389 -22.177
283 HD3 LYS 37 3HD LYS 37 12.368 13.222 -21.462
284 HE2 LYS 37 2HE LYS 37 11.251 13.507 -23.400
285 HE3 LYS 37 3HE LYS 37 10.613 14.931 -22.580
286 HZ1 LYS 37 1HZ LYS 37 13.063 15.600 -23.769
287 HZ2 LYS 37 2HZ LYS 37 11.522 16.197 -24.131
288 HZ3 LYS 37 3HZ LYS 37 12.109 14.828 -24.933
289 H ASP 38 H ASP 38 10.472 16.874 -18.587
290 HA ASP 38 HA ASP 38 9.074 16.068 -16.263
291 HB2 ASP 38 2HB ASP 38 8.563 18.122 -17.576
292 HB3 ASP 38 3HB ASP 38 7.917 17.103 -18.859
293 H GLY 39 H GLY 39 7.397 14.583 -15.990
294 HA2 GLY 39 2HA GLY 39 5.927 12.868 -16.711
295 HA3 GLY 39 3HA GLY 39 6.862 12.725 -18.191
296 H ASN 40 H ASN 40 9.184 12.894 -15.980
297 HA ASN 40 HA ASN 40 9.966 10.231 -16.156
298 HB2 ASN 40 2HB ASN 40 10.954 12.609 -14.954
299 HB3 ASN 40 3HB ASN 40 10.996 11.344 -13.729
300 HD21 ASN 40 1HD2 ASN 40 12.201 12.399 -16.807
301 HD22 ASN 40 2HD2 ASN 40 13.501 11.266 -16.915
302 H LYS 41 H LYS 41 10.519 9.034 -13.917
303 HA LYS 41 HA LYS 41 7.942 8.257 -12.876
304 HB2 LYS 41 2HB LYS 41 10.511 7.050 -13.158
305 HB3 LYS 41 3HB LYS 41 10.064 6.989 -11.458
306 HG2 LYS 41 2HG LYS 41 8.461 5.924 -13.774
307 HG3 LYS 41 3HG LYS 41 9.343 4.979 -12.572
308 HD2 LYS 41 2HD LYS 41 7.808 6.378 -10.913
309 HD3 LYS 41 3HD LYS 41 6.764 6.433 -12.335
310 HE2 LYS 41 2HE LYS 41 7.815 3.988 -10.922
311 HE3 LYS 41 3HE LYS 41 6.141 4.532 -11.021
312 HZ1 LYS 41 1HZ LYS 41 7.762 3.139 -12.999
313 HZ2 LYS 41 2HZ LYS 41 6.697 4.311 -13.593
314 HZ3 LYS 41 3HZ LYS 41 6.106 3.017 -12.677
315 H CYS 42 H CYS 42 7.345 8.252 -10.671
316 HA CYS 42 HA CYS 42 8.964 9.768 -8.793
317 HB2 CYS 42 2HB CYS 42 7.487 11.392 -10.096
318 HB3 CYS 42 3HB CYS 42 6.118 10.629 -9.296
319 H THR 43 H THR 43 8.175 9.627 -6.592
320 HA THR 43 HA THR 43 6.173 7.532 -6.129
321 HB THR 43 HB THR 43 8.214 7.234 -4.160
322 HG1 THR 43 HG1 THR 43 9.171 6.914 -6.826
323 HG21 THR 43 1HG2 THR 43 6.720 5.456 -4.679
324 HG22 THR 43 2HG2 THR 43 8.324 4.927 -5.185
325 HG23 THR 43 3HG2 THR 43 7.162 5.494 -6.385
326 H TYR 44 H TYR 44 4.958 7.782 -4.297
327 HA TYR 44 HA TYR 44 5.644 10.005 -2.501
328 HB2 TYR 44 2HB TYR 44 4.014 11.080 -3.741
329 HB3 TYR 44 3HB TYR 44 3.129 9.594 -4.064
330 HD1 TYR 44 HD1 TYR 44 1.386 8.860 -2.617
331 HD2 TYR 44 HD2 TYR 44 3.806 12.183 -1.519
332 HE1 TYR 44 HE1 TYR 44 -0.183 9.395 -0.801
333 HE2 TYR 44 HE2 TYR 44 2.244 12.727 0.301
334 HH TYR 44 HH TYR 44 -0.691 11.877 0.520
335 H ASP 45 H ASP 45 5.681 9.372 -0.458
336 HA ASP 45 HA ASP 45 4.373 6.862 0.280
337 HB2 ASP 45 2HB ASP 45 6.838 7.399 0.787
338 HB3 ASP 45 3HB ASP 45 6.214 8.469 2.040
339 H SER 46 H SER 46 2.505 6.856 1.326
340 HA SER 46 HA SER 46 1.385 9.328 2.317
341 HB2 SER 46 2HB SER 46 -0.380 8.207 1.437
342 HB3 SER 46 3HB SER 46 0.385 6.633 1.658
343 HG SER 46 HG SER 46 -0.322 6.576 3.739
344 H TYR 47 H TYR 47 3.241 6.812 3.590
345 HA TYR 47 HA TYR 47 2.186 6.876 6.265
346 HB2 TYR 47 2HB TYR 47 3.322 4.879 5.266
347 HB3 TYR 47 3HB TYR 47 4.838 5.771 5.321
348 HD1 TYR 47 HD1 TYR 47 6.078 5.962 7.338
349 HD2 TYR 47 HD2 TYR 47 2.170 4.279 7.400
350 HE1 TYR 47 HE1 TYR 47 6.451 5.196 9.645
351 HE2 TYR 47 HE2 TYR 47 2.532 3.510 9.708
352 HH TYR 47 HH TYR 47 5.585 3.466 11.173
353 H ASN 48 H ASN 48 5.021 8.201 4.603
354 HA ASN 48 HA ASN 48 5.590 9.828 6.989
355 HB2 ASN 48 2HB ASN 48 7.730 10.079 5.185
356 HB3 ASN 48 3HB ASN 48 7.707 9.165 6.690
357 HD21 ASN 48 1HD2 ASN 48 8.196 8.993 3.423
358 HD22 ASN 48 2HD2 ASN 48 8.046 7.285 3.210
359 H ARG 49 H ARG 49 4.012 10.033 4.145
360 HA ARG 49 HA ARG 49 3.360 11.717 2.757
361 HB2 ARG 49 2HB ARG 49 4.189 13.604 4.955
362 HB3 ARG 49 3HB ARG 49 2.909 13.816 3.769
363 HG2 ARG 49 2HG ARG 49 1.835 11.756 4.873
364 HG3 ARG 49 3HG ARG 49 2.948 12.080 6.204
365 HD2 ARG 49 2HD ARG 49 2.030 14.267 6.525
366 HD3 ARG 49 3HD ARG 49 1.057 14.127 5.061
367 HE ARG 49 HE ARG 49 0.254 12.044 6.646
368 HH11 ARG 49 1HH1 ARG 49 0.423 15.505 6.980
369 HH12 ARG 49 2HH1 ARG 49 -0.932 15.598 8.057
370 HH21 ARG 49 1HH2 ARG 49 -1.531 12.153 8.063
371 HH22 ARG 49 2HH2 ARG 49 -2.041 13.691 8.673
372 H LYS 50 H LYS 50 6.162 10.863 2.679
373 HA LYS 50 HA LYS 50 7.437 13.344 1.734
374 HB2 LYS 50 2HB LYS 50 8.883 12.486 3.339
375 HB3 LYS 50 3HB LYS 50 8.530 10.817 2.912
376 HG2 LYS 50 2HG LYS 50 10.082 10.761 1.272
377 HG3 LYS 50 3HG LYS 50 9.840 12.454 0.834
378 HD2 LYS 50 2HD LYS 50 11.734 12.909 1.914
379 HD3 LYS 50 3HD LYS 50 10.889 12.524 3.415
380 HE2 LYS 50 2HE LYS 50 11.666 10.291 3.388
381 HE3 LYS 50 3HE LYS 50 12.217 10.425 1.719
382 HZ1 LYS 50 1HZ LYS 50 14.198 10.858 2.603
383 HZ2 LYS 50 2HZ LYS 50 13.565 11.137 4.146
384 HZ3 LYS 50 3HZ LYS 50 13.589 12.385 3.005
385 H VAL 51 H VAL 51 8.109 13.517 -0.342
386 HA VAL 51 HA VAL 51 7.455 11.273 -2.128
387 HB VAL 51 HB VAL 51 7.793 14.190 -2.842
388 HG11 VAL 51 1HG1 VAL 51 7.125 13.653 -5.009
389 HG12 VAL 51 2HG1 VAL 51 8.231 12.346 -4.583
390 HG13 VAL 51 3HG1 VAL 51 6.488 12.082 -4.526
391 HG21 VAL 51 1HG2 VAL 51 5.138 13.069 -3.155
392 HG22 VAL 51 2HG2 VAL 51 5.683 13.020 -1.478
393 HG23 VAL 51 3HG2 VAL 51 5.648 14.553 -2.350
394 H LYS 52 H LYS 52 9.079 10.176 -2.988
395 HA LYS 52 HA LYS 52 11.704 11.498 -3.223
396 HB2 LYS 52 2HB LYS 52 11.770 9.707 -1.586
397 HB3 LYS 52 3HB LYS 52 11.056 8.585 -2.736
398 HG2 LYS 52 2HG LYS 52 13.064 8.866 -4.171
399 HG3 LYS 52 3HG LYS 52 13.782 9.850 -2.894
400 HD2 LYS 52 2HD LYS 52 12.919 7.554 -1.591
401 HD3 LYS 52 3HD LYS 52 13.577 6.967 -3.120
402 HE2 LYS 52 2HE LYS 52 15.060 8.915 -1.378
403 HE3 LYS 52 3HE LYS 52 15.187 7.171 -1.152
404 HZ1 LYS 52 1HZ LYS 52 15.684 7.273 -3.717
405 HZ2 LYS 52 2HZ LYS 52 16.907 7.511 -2.574
406 HZ3 LYS 52 3HZ LYS 52 16.190 8.841 -3.333
407 H CYS 53 H CYS 53 12.644 11.579 -5.174
408 HA CYS 53 HA CYS 53 11.374 10.070 -7.365
409 HB2 CYS 53 2HB CYS 53 12.684 12.796 -7.424
410 HB3 CYS 53 3HB CYS 53 12.139 11.924 -8.853
411 H ASP 54 H ASP 54 12.652 8.975 -8.791
412 HA ASP 54 HA ASP 54 15.560 9.193 -8.519
413 HB2 ASP 54 2HB ASP 54 15.471 6.556 -8.739
414 HB3 ASP 54 3HB ASP 54 15.376 7.343 -7.166
415 H PHE 55 H PHE 55 16.733 8.579 -10.351
416 HA PHE 55 HA PHE 55 15.141 8.524 -12.804
417 HB2 PHE 55 2HB PHE 55 17.570 9.795 -12.046
418 HB3 PHE 55 3HB PHE 55 17.945 8.660 -13.338
419 HD1 PHE 55 HD1 PHE 55 14.977 10.821 -12.690
420 HD2 PHE 55 HD2 PHE 55 18.191 9.832 -15.299
421 HE1 PHE 55 HE1 PHE 55 14.126 12.432 -14.344
422 HE2 PHE 55 HE2 PHE 55 17.346 11.441 -16.956
423 HZ PHE 55 HZ PHE 55 15.312 12.745 -16.480
424 H ARG 56 H ARG 56 15.017 6.796 -14.096
425 HA ARG 56 HA ARG 56 16.983 4.645 -13.819
426 HB2 ARG 56 2HB ARG 56 14.003 4.363 -13.481
427 HB3 ARG 56 3HB ARG 56 15.022 3.003 -13.932
428 HG2 ARG 56 2HG ARG 56 16.186 4.284 -11.677
429 HG3 ARG 56 3HG ARG 56 14.473 4.012 -11.352
430 HD2 ARG 56 2HD ARG 56 16.487 1.948 -12.234
431 HD3 ARG 56 3HD ARG 56 15.782 2.104 -10.626
432 HE ARG 56 HE ARG 56 13.626 1.804 -12.251
433 HH11 ARG 56 1HH1 ARG 56 16.556 -0.009 -11.749
434 HH12 ARG 56 2HH1 ARG 56 15.835 -1.533 -12.146
435 HH21 ARG 56 1HH2 ARG 56 12.665 -0.197 -12.776
436 HH22 ARG 56 2HH2 ARG 56 13.622 -1.639 -12.731
437 H HIS 57 H HIS 57 17.216 3.335 -15.652
438 HA HIS 57 HA HIS 57 17.261 2.854 -17.875
439 HB2 HIS 57 2HB HIS 57 14.546 3.150 -17.222
440 HB3 HIS 57 3HB HIS 57 14.770 4.054 -18.717
441 HD1 HIS 57 HD1 HIS 57 13.671 0.918 -17.791
442 HD2 HIS 57 HD2 HIS 57 16.556 2.175 -20.504
443 HE1 HIS 57 HE1 HIS 57 13.961 -0.994 -19.398
Start of MODEL 10
1 H1 LEU 1 H LEU 1 2.177 0.437 1.510
2 HA LEU 1 HA LEU 1 2.801 -0.305 -0.584
3 HB2 LEU 1 2HB LEU 1 -0.018 -0.596 -0.676
4 HB3 LEU 1 3HB LEU 1 0.487 0.204 -2.164
5 HG LEU 1 HG LEU 1 2.106 -2.134 -1.478
6 HD11 LEU 1 1HD1 LEU 1 0.525 -3.813 -1.771
7 HD12 LEU 1 2HD1 LEU 1 -0.689 -2.698 -2.397
8 HD13 LEU 1 3HD1 LEU 1 -0.279 -2.683 -0.681
9 HD21 LEU 1 1HD2 LEU 1 1.252 -2.606 -3.924
10 HD22 LEU 1 2HD2 LEU 1 2.486 -1.387 -3.606
11 HD23 LEU 1 3HD2 LEU 1 0.808 -0.901 -3.855
12 H GLU 2 H GLU 2 4.102 1.060 -1.595
13 HA GLU 2 HA GLU 2 3.836 3.813 -1.664
14 HB2 GLU 2 2HB GLU 2 5.502 1.833 -3.120
15 HB3 GLU 2 3HB GLU 2 5.416 3.452 -3.801
16 HG2 GLU 2 2HG GLU 2 7.058 3.990 -2.415
17 HG3 GLU 2 3HG GLU 2 5.867 3.904 -1.118
18 H TYR 3 H TYR 3 2.868 5.259 -2.971
19 HA TYR 3 HA TYR 3 0.952 4.266 -4.894
20 HB2 TYR 3 2HB TYR 3 1.562 6.975 -3.739
21 HB3 TYR 3 3HB TYR 3 0.482 6.801 -5.118
22 HD1 TYR 3 HD1 TYR 3 -1.398 4.932 -4.765
23 HD2 TYR 3 HD2 TYR 3 0.611 7.007 -1.641
24 HE1 TYR 3 HE1 TYR 3 -3.266 4.438 -3.244
25 HE2 TYR 3 HE2 TYR 3 -1.252 6.518 -0.111
26 HH TYR 3 HH TYR 3 -3.210 4.390 -0.217
27 H LYS 4 H LYS 4 0.935 4.645 -7.085
28 HA LYS 4 HA LYS 4 3.519 5.096 -8.297
29 HB2 LYS 4 2HB LYS 4 2.403 3.383 -9.383
30 HB3 LYS 4 3HB LYS 4 0.840 4.178 -9.257
31 HG2 LYS 4 2HG LYS 4 1.620 4.108 -11.560
32 HG3 LYS 4 3HG LYS 4 1.493 5.770 -10.978
33 HD2 LYS 4 2HD LYS 4 3.913 5.793 -10.556
34 HD3 LYS 4 3HD LYS 4 4.028 4.142 -11.169
35 HE2 LYS 4 2HE LYS 4 2.693 6.057 -12.958
36 HE3 LYS 4 3HE LYS 4 4.403 6.371 -12.668
37 HZ1 LYS 4 1HZ LYS 4 3.137 4.040 -13.940
38 HZ2 LYS 4 2HZ LYS 4 4.639 3.862 -13.182
39 HZ3 LYS 4 3HZ LYS 4 4.462 4.956 -14.460
40 H GLY 5 H GLY 5 4.212 7.110 -8.606
41 HA2 GLY 5 2HA GLY 5 2.326 9.049 -9.775
42 HA3 GLY 5 3HA GLY 5 3.323 9.509 -8.403
43 H GLU 6 H GLU 6 3.315 10.799 -10.935
44 HA GLU 6 HA GLU 6 5.965 10.069 -11.988
45 HB2 GLU 6 2HB GLU 6 5.184 11.579 -13.945
46 HB3 GLU 6 3HB GLU 6 4.523 9.956 -13.808
47 HG2 GLU 6 2HG GLU 6 3.031 12.127 -12.467
48 HG3 GLU 6 3HG GLU 6 3.015 12.106 -14.229
49 H CYS 7 H CYS 7 7.216 11.982 -12.865
50 HA CYS 7 HA CYS 7 6.916 14.293 -11.061
51 HB2 CYS 7 2HB CYS 7 9.105 14.226 -10.477
52 HB3 CYS 7 3HB CYS 7 8.970 12.531 -10.936
53 H PHE 8 H PHE 8 8.171 16.245 -11.915
54 HA PHE 8 HA PHE 8 7.610 16.502 -14.792
55 HB2 PHE 8 2HB PHE 8 7.508 18.483 -12.530
56 HB3 PHE 8 3HB PHE 8 7.612 19.015 -14.205
57 HD1 PHE 8 HD1 PHE 8 5.647 16.508 -12.252
58 HD2 PHE 8 HD2 PHE 8 5.623 19.626 -15.150
59 HE1 PHE 8 HE1 PHE 8 3.206 16.284 -12.468
60 HE2 PHE 8 HE2 PHE 8 3.183 19.408 -15.370
61 HZ PHE 8 HZ PHE 8 1.971 17.736 -14.028
62 H THR 9 H THR 9 8.966 18.430 -15.742
63 HA THR 9 HA THR 9 11.569 17.619 -16.051
64 HB THR 9 HB THR 9 11.555 20.468 -16.282
65 HG1 THR 9 HG1 THR 9 9.683 20.790 -17.455
66 HG21 THR 9 1HG2 THR 9 12.416 18.320 -17.725
67 HG22 THR 9 2HG2 THR 9 12.375 19.979 -18.322
68 HG23 THR 9 3HG2 THR 9 11.052 18.874 -18.695
69 H LYS 10 H LYS 10 13.415 19.459 -15.600
70 HA LYS 10 HA LYS 10 14.218 19.089 -12.977
71 HB2 LYS 10 2HB LYS 10 15.242 20.355 -15.269
72 HB3 LYS 10 3HB LYS 10 15.269 21.574 -14.002
73 HG2 LYS 10 2HG LYS 10 17.260 20.669 -13.518
74 HG3 LYS 10 3HG LYS 10 16.293 19.459 -12.671
75 HD2 LYS 10 2HD LYS 10 17.231 17.917 -13.974
76 HD3 LYS 10 3HD LYS 10 16.349 18.618 -15.333
77 HE2 LYS 10 2HE LYS 10 18.433 20.319 -15.190
78 HE3 LYS 10 3HE LYS 10 19.196 18.847 -14.589
79 HZ1 LYS 10 1HZ LYS 10 17.682 18.172 -16.834
80 HZ2 LYS 10 2HZ LYS 10 19.364 18.145 -16.666
81 HZ3 LYS 10 3HZ LYS 10 18.594 19.538 -17.239
82 H ASP 11 H ASP 11 11.646 20.887 -13.955
83 HA ASP 11 HA ASP 11 11.849 23.194 -12.322
84 HB2 ASP 11 2HB ASP 11 9.492 21.768 -13.553
85 HB3 ASP 11 3HB ASP 11 9.321 23.246 -12.610
86 H ASN 12 H ASN 12 11.693 20.025 -11.446
87 HA ASN 12 HA ASN 12 11.256 18.921 -9.507
88 HB2 ASN 12 2HB ASN 12 11.808 21.698 -8.691
89 HB3 ASN 12 3HB ASN 12 10.908 20.752 -7.510
90 HD21 ASN 12 1HD2 ASN 12 11.947 18.269 -7.816
91 HD22 ASN 12 2HD2 ASN 12 13.623 18.268 -7.395
92 H THR 13 H THR 13 9.275 18.043 -9.969
93 HA THR 13 HA THR 13 7.055 18.993 -8.442
94 HB THR 13 HB THR 13 6.101 18.773 -11.188
95 HG1 THR 13 HG1 THR 13 8.216 19.882 -11.403
96 HG21 THR 13 1HG2 THR 13 5.278 21.177 -10.322
97 HG22 THR 13 2HG2 THR 13 5.666 20.427 -8.773
98 HG23 THR 13 3HG2 THR 13 4.497 19.668 -9.853
99 H CYS 14 H CYS 14 5.357 17.477 -8.306
100 HA CYS 14 HA CYS 14 5.602 14.997 -9.814
101 HB2 CYS 14 2HB CYS 14 6.130 15.266 -6.888
102 HB3 CYS 14 3HB CYS 14 5.292 13.825 -7.455
103 H LYS 15 H LYS 15 3.698 13.856 -9.988
104 HA LYS 15 HA LYS 15 1.357 14.941 -8.576
105 HB2 LYS 15 2HB LYS 15 1.419 15.859 -10.862
106 HB3 LYS 15 3HB LYS 15 1.472 14.225 -11.512
107 HG2 LYS 15 2HG LYS 15 -0.730 13.775 -10.881
108 HG3 LYS 15 3HG LYS 15 -0.780 15.135 -9.757
109 HD2 LYS 15 2HD LYS 15 -0.229 16.378 -12.126
110 HD3 LYS 15 3HD LYS 15 -1.274 15.054 -12.644
111 HE2 LYS 15 2HE LYS 15 -2.652 15.905 -10.505
112 HE3 LYS 15 3HE LYS 15 -1.879 17.418 -10.975
113 HZ1 LYS 15 1HZ LYS 15 -3.605 15.706 -12.679
114 HZ2 LYS 15 2HZ LYS 15 -2.770 17.069 -13.233
115 HZ3 LYS 15 3HZ LYS 15 -3.985 17.238 -12.068
116 H TYR 16 H TYR 16 0.680 13.339 -7.310
117 HA TYR 16 HA TYR 16 0.721 10.593 -8.367
118 HB2 TYR 16 2HB TYR 16 0.728 9.823 -6.069
119 HB3 TYR 16 3HB TYR 16 2.030 10.987 -6.295
120 HD1 TYR 16 HD1 TYR 16 1.652 13.374 -5.505
121 HD2 TYR 16 HD2 TYR 16 -0.904 10.153 -4.414
122 HE1 TYR 16 HE1 TYR 16 0.804 14.697 -3.612
123 HE2 TYR 16 HE2 TYR 16 -1.760 11.467 -2.519
124 HH TYR 16 HH TYR 16 -0.577 13.609 -1.082
125 H LYS 17 H LYS 17 -1.082 9.202 -7.852
126 HA LYS 17 HA LYS 17 -3.605 10.694 -7.540
127 HB2 LYS 17 2HB LYS 17 -3.449 9.837 -9.784
128 HB3 LYS 17 3HB LYS 17 -2.997 8.242 -9.196
129 HG2 LYS 17 2HG LYS 17 -5.214 7.993 -8.186
130 HG3 LYS 17 3HG LYS 17 -5.665 9.583 -8.805
131 HD2 LYS 17 2HD LYS 17 -4.585 7.712 -10.805
132 HD3 LYS 17 3HD LYS 17 -6.136 7.251 -10.100
133 HE2 LYS 17 2HE LYS 17 -7.207 9.143 -10.904
134 HE3 LYS 17 3HE LYS 17 -5.701 10.043 -11.082
135 HZ1 LYS 17 1HZ LYS 17 -7.048 8.410 -12.976
136 HZ2 LYS 17 2HZ LYS 17 -5.463 7.867 -12.748
137 HZ3 LYS 17 3HZ LYS 17 -5.749 9.469 -13.209
138 H ILE 18 H ILE 18 -5.074 9.986 -6.077
139 HA ILE 18 HA ILE 18 -4.470 7.484 -4.645
140 HB ILE 18 HB ILE 18 -5.494 10.019 -3.362
141 HG12 ILE 18 2HG1 ILE 18 -3.141 10.235 -4.046
142 HG13 ILE 18 3HG1 ILE 18 -3.293 10.164 -2.294
143 HG21 ILE 18 1HG2 ILE 18 -4.641 8.506 -1.326
144 HG22 ILE 18 2HG2 ILE 18 -6.294 8.455 -1.935
145 HG23 ILE 18 3HG2 ILE 18 -5.129 7.234 -2.445
146 HD11 ILE 18 1HD1 ILE 18 -2.942 7.527 -3.040
147 HD12 ILE 18 2HD1 ILE 18 -1.858 8.428 -4.100
148 HD13 ILE 18 3HD1 ILE 18 -1.725 8.602 -2.350
149 H ASP 19 H ASP 19 -6.231 6.308 -3.872
150 HA ASP 19 HA ASP 19 -8.498 6.181 -5.425
151 HB2 ASP 19 2HB ASP 19 -7.786 5.173 -2.715
152 HB3 ASP 19 3HB ASP 19 -9.481 5.107 -3.189
153 H GLY 20 H GLY 20 -10.113 7.557 -5.719
154 HA2 GLY 20 2HA GLY 20 -12.060 8.653 -4.792
155 HA3 GLY 20 3HA GLY 20 -11.086 9.090 -3.396
156 H LYS 21 H LYS 21 -9.259 10.599 -3.817
157 HA LYS 21 HA LYS 21 -9.885 12.456 -6.017
158 HB2 LYS 21 2HB LYS 21 -9.378 13.043 -3.113
159 HB3 LYS 21 3HB LYS 21 -9.060 14.256 -4.346
160 HG2 LYS 21 2HG LYS 21 -11.715 12.910 -3.893
161 HG3 LYS 21 3HG LYS 21 -11.268 14.510 -3.296
162 HD2 LYS 21 2HD LYS 21 -11.406 13.667 -6.191
163 HD3 LYS 21 3HD LYS 21 -12.582 14.676 -5.346
164 HE2 LYS 21 2HE LYS 21 -9.697 15.330 -5.926
165 HE3 LYS 21 3HE LYS 21 -11.123 16.089 -6.632
166 HZ1 LYS 21 1HZ LYS 21 -11.716 16.836 -4.358
167 HZ2 LYS 21 2HZ LYS 21 -10.278 17.510 -4.940
168 HZ3 LYS 21 3HZ LYS 21 -10.225 16.254 -3.809
169 H THR 22 H THR 22 -8.133 13.614 -6.894
170 HA THR 22 HA THR 22 -5.538 12.320 -6.439
171 HB THR 22 HB THR 22 -6.491 13.993 -8.772
172 HG1 THR 22 HG1 THR 22 -7.367 11.851 -8.649
173 HG21 THR 22 1HG2 THR 22 -4.089 14.266 -8.407
174 HG22 THR 22 2HG2 THR 22 -4.397 13.312 -9.859
175 HG23 THR 22 3HG2 THR 22 -3.887 12.515 -8.371
176 H TYR 23 H TYR 23 -3.715 13.462 -5.926
177 HA TYR 23 HA TYR 23 -3.985 16.367 -5.564
178 HB2 TYR 23 2HB TYR 23 -2.472 14.736 -3.555
179 HB3 TYR 23 3HB TYR 23 -3.186 16.336 -3.378
180 HD1 TYR 23 HD1 TYR 23 -5.387 16.602 -2.558
181 HD2 TYR 23 HD2 TYR 23 -3.979 12.725 -3.599
182 HE1 TYR 23 HE1 TYR 23 -7.372 15.605 -1.503
183 HE2 TYR 23 HE2 TYR 23 -5.961 11.717 -2.548
184 HH TYR 23 HH TYR 23 -7.672 12.745 -0.486
185 H LEU 24 H LEU 24 -1.788 17.387 -5.140
186 HA LEU 24 HA LEU 24 0.166 16.153 -6.958
187 HB2 LEU 24 2HB LEU 24 -0.791 18.396 -7.534
188 HB3 LEU 24 3HB LEU 24 0.007 19.035 -6.098
189 HG LEU 24 HG LEU 24 2.165 18.088 -7.218
190 HD11 LEU 24 1HD1 LEU 24 0.927 16.921 -9.017
191 HD12 LEU 24 2HD1 LEU 24 2.124 18.067 -9.621
192 HD13 LEU 24 3HD1 LEU 24 0.412 18.490 -9.635
193 HD21 LEU 24 1HD2 LEU 24 2.541 20.220 -8.275
194 HD22 LEU 24 2HD2 LEU 24 1.636 20.466 -6.781
195 HD23 LEU 24 3HD2 LEU 24 0.807 20.536 -8.338
196 H ALA 25 H ALA 25 2.380 16.158 -6.425
197 HA ALA 25 HA ALA 25 2.996 16.681 -3.594
198 HB1 ALA 25 1HB ALA 25 2.909 14.392 -3.502
199 HB2 ALA 25 2HB ALA 25 3.437 14.194 -5.174
200 HB3 ALA 25 3HB ALA 25 4.604 14.635 -3.927
201 H LYS 26 H LYS 26 5.165 17.241 -3.132
202 HA LYS 26 HA LYS 26 6.621 18.281 -5.468
203 HB2 LYS 26 2HB LYS 26 6.036 20.079 -4.036
204 HB3 LYS 26 3HB LYS 26 6.505 19.185 -2.596
205 HG2 LYS 26 2HG LYS 26 8.113 20.936 -3.146
206 HG3 LYS 26 3HG LYS 26 8.840 19.330 -3.233
207 HD2 LYS 26 2HD LYS 26 9.396 19.641 -5.365
208 HD3 LYS 26 3HD LYS 26 7.732 20.055 -5.784
209 HE2 LYS 26 2HE LYS 26 9.414 22.086 -4.398
210 HE3 LYS 26 3HE LYS 26 9.695 21.780 -6.111
211 HZ1 LYS 26 1HZ LYS 26 7.523 22.434 -6.646
212 HZ2 LYS 26 2HZ LYS 26 8.059 23.595 -5.540
213 HZ3 LYS 26 3HZ LYS 26 7.001 22.374 -5.038
214 H CYS 27 H CYS 27 8.780 17.850 -5.747
215 HA CYS 27 HA CYS 27 9.910 15.790 -3.970
216 HB2 CYS 27 2HB CYS 27 10.170 16.246 -6.931
217 HB3 CYS 27 3HB CYS 27 11.373 15.309 -6.051
218 HA PRO 28 HA PRO 28 13.295 18.383 -2.937
219 HB2 PRO 28 2HB PRO 28 15.343 16.605 -2.813
220 HB3 PRO 28 3HB PRO 28 14.057 16.676 -1.602
221 HG2 PRO 28 2HG PRO 28 14.366 14.818 -3.929
222 HG3 PRO 28 3HG PRO 28 13.865 14.456 -2.267
223 HD2 PRO 28 2HD PRO 28 12.095 14.709 -4.300
224 HD3 PRO 28 3HD PRO 28 11.703 15.167 -2.630
225 H SER 29 H SER 29 15.296 19.291 -3.685
226 HA SER 29 HA SER 29 15.520 19.216 -6.577
227 HB2 SER 29 2HB SER 29 17.470 20.895 -5.218
228 HB3 SER 29 3HB SER 29 16.221 21.343 -6.378
229 HG SER 29 HG SER 29 16.068 22.201 -4.135
230 H ALA 30 H ALA 30 16.647 17.229 -4.363
231 HA ALA 30 HA ALA 30 19.384 17.084 -4.468
232 HB1 ALA 30 1HB ALA 30 17.213 15.135 -4.080
233 HB2 ALA 30 2HB ALA 30 18.770 14.456 -4.557
234 HB3 ALA 30 3HB ALA 30 18.649 15.450 -3.105
235 H ALA 31 H ALA 31 20.898 16.057 -5.799
236 HA ALA 31 HA ALA 31 20.439 16.297 -8.581
237 HB1 ALA 31 1HB ALA 31 22.651 16.445 -8.489
238 HB2 ALA 31 2HB ALA 31 22.672 15.799 -6.848
239 HB3 ALA 31 3HB ALA 31 22.715 14.702 -8.228
240 H ASN 32 H ASN 32 20.689 13.495 -6.422
241 HA ASN 32 HA ASN 32 20.195 11.643 -8.591
242 HB2 ASN 32 2HB ASN 32 21.659 11.269 -6.464
243 HB3 ASN 32 3HB ASN 32 20.125 10.890 -5.685
244 HD21 ASN 32 1HD2 ASN 32 22.643 9.747 -7.620
245 HD22 ASN 32 2HD2 ASN 32 21.966 8.210 -8.024
246 H THR 33 H THR 33 18.292 13.638 -6.765
247 HA THR 33 HA THR 33 15.967 11.840 -6.999
248 HB THR 33 HB THR 33 15.836 14.205 -5.194
249 HG1 THR 33 HG1 THR 33 17.863 12.710 -4.918
250 HG21 THR 33 1HG2 THR 33 14.490 12.612 -3.849
251 HG22 THR 33 2HG2 THR 33 14.780 11.378 -5.075
252 HG23 THR 33 3HG2 THR 33 13.868 12.831 -5.484
253 H LYS 34 H LYS 34 17.391 14.240 -8.578
254 HA LYS 34 HA LYS 34 15.090 15.961 -8.988
255 HB2 LYS 34 2HB LYS 34 17.955 16.060 -9.586
256 HB3 LYS 34 3HB LYS 34 16.949 16.672 -10.892
257 HG2 LYS 34 2HG LYS 34 16.062 17.702 -8.354
258 HG3 LYS 34 3HG LYS 34 17.775 18.038 -8.612
259 HD2 LYS 34 2HD LYS 34 16.028 18.505 -10.937
260 HD3 LYS 34 3HD LYS 34 15.764 19.579 -9.561
261 HE2 LYS 34 2HE LYS 34 18.418 19.073 -10.904
262 HE3 LYS 34 3HE LYS 34 17.397 20.487 -11.164
263 HZ1 LYS 34 1HZ LYS 34 17.691 20.361 -8.456
264 HZ2 LYS 34 2HZ LYS 34 18.521 21.403 -9.498
265 HZ3 LYS 34 3HZ LYS 34 19.222 19.935 -9.035
266 H CYS 35 H CYS 35 14.750 16.552 -11.444
267 HA CYS 35 HA CYS 35 14.550 14.043 -12.973
268 HB2 CYS 35 2HB CYS 35 12.471 16.224 -12.713
269 HB3 CYS 35 3HB CYS 35 12.379 14.901 -13.871
270 H GLU 36 H GLU 36 15.527 14.133 -14.879
271 HA GLU 36 HA GLU 36 16.392 16.705 -15.924
272 HB2 GLU 36 2HB GLU 36 17.674 15.319 -17.551
273 HB3 GLU 36 3HB GLU 36 18.061 14.977 -15.871
274 HG2 GLU 36 2HG GLU 36 17.441 12.854 -16.058
275 HG3 GLU 36 3HG GLU 36 15.932 13.283 -16.861
276 H LYS 37 H LYS 37 13.908 14.425 -16.437
277 HA LYS 37 HA LYS 37 12.975 15.946 -18.747
278 HB2 LYS 37 2HB LYS 37 14.290 13.803 -19.413
279 HB3 LYS 37 3HB LYS 37 12.858 12.948 -18.856
280 HG2 LYS 37 2HG LYS 37 11.698 14.751 -20.464
281 HG3 LYS 37 3HG LYS 37 13.266 14.603 -21.262
282 HD2 LYS 37 2HD LYS 37 12.627 11.991 -20.759
283 HD3 LYS 37 3HD LYS 37 11.046 12.700 -21.098
284 HE2 LYS 37 2HE LYS 37 11.695 12.150 -23.219
285 HE3 LYS 37 3HE LYS 37 12.347 13.785 -23.117
286 HZ1 LYS 37 1HZ LYS 37 14.355 12.972 -23.490
287 HZ2 LYS 37 2HZ LYS 37 13.728 11.405 -23.600
288 HZ3 LYS 37 3HZ LYS 37 14.257 12.001 -22.108
289 H ASP 38 H ASP 38 10.860 16.362 -18.627
290 HA ASP 38 HA ASP 38 9.329 15.734 -16.388
291 HB2 ASP 38 2HB ASP 38 7.422 16.631 -17.629
292 HB3 ASP 38 3HB ASP 38 8.849 17.633 -17.879
293 H GLY 39 H GLY 39 7.789 14.208 -15.928
294 HA2 GLY 39 2HA GLY 39 6.314 12.425 -16.453
295 HA3 GLY 39 3HA GLY 39 7.187 12.181 -17.958
296 H ASN 40 H ASN 40 9.494 12.592 -15.670
297 HA ASN 40 HA ASN 40 10.419 9.962 -15.756
298 HB2 ASN 40 2HB ASN 40 11.309 12.412 -14.695
299 HB3 ASN 40 3HB ASN 40 11.300 11.280 -13.345
300 HD21 ASN 40 1HD2 ASN 40 13.239 12.546 -15.553
301 HD22 ASN 40 2HD2 ASN 40 14.334 11.237 -15.820
302 H LYS 41 H LYS 41 10.989 8.893 -13.446
303 HA LYS 41 HA LYS 41 8.450 7.970 -12.459
304 HB2 LYS 41 2HB LYS 41 11.141 7.008 -12.516
305 HB3 LYS 41 3HB LYS 41 10.579 6.991 -10.850
306 HG2 LYS 41 2HG LYS 41 9.267 5.652 -13.205
307 HG3 LYS 41 3HG LYS 41 10.131 4.865 -11.882
308 HD2 LYS 41 2HD LYS 41 8.340 6.207 -10.441
309 HD3 LYS 41 3HD LYS 41 7.416 6.068 -11.939
310 HE2 LYS 41 2HE LYS 41 8.568 3.840 -10.270
311 HE3 LYS 41 3HE LYS 41 6.866 4.197 -10.559
312 HZ1 LYS 41 1HZ LYS 41 7.278 2.478 -12.013
313 HZ2 LYS 41 2HZ LYS 41 8.842 3.002 -12.385
314 HZ3 LYS 41 3HZ LYS 41 7.504 3.822 -13.016
315 H CYS 42 H CYS 42 7.704 8.076 -10.315
316 HA CYS 42 HA CYS 42 9.083 9.778 -8.416
317 HB2 CYS 42 2HB CYS 42 7.683 11.274 -9.942
318 HB3 CYS 42 3HB CYS 42 6.270 10.515 -9.215
319 H THR 43 H THR 43 8.106 9.735 -6.289
320 HA THR 43 HA THR 43 6.044 7.715 -5.851
321 HB THR 43 HB THR 43 7.878 7.167 -3.823
322 HG1 THR 43 HG1 THR 43 9.163 7.416 -6.353
323 HG21 THR 43 1HG2 THR 43 6.356 5.590 -4.977
324 HG22 THR 43 2HG2 THR 43 8.001 4.971 -4.839
325 HG23 THR 43 3HG2 THR 43 7.428 5.619 -6.376
326 H TYR 44 H TYR 44 4.983 7.887 -3.846
327 HA TYR 44 HA TYR 44 5.720 10.171 -2.160
328 HB2 TYR 44 2HB TYR 44 4.064 11.254 -3.346
329 HB3 TYR 44 3HB TYR 44 3.162 9.773 -3.648
330 HD1 TYR 44 HD1 TYR 44 1.093 9.706 -2.650
331 HD2 TYR 44 HD2 TYR 44 4.261 11.710 -0.637
332 HE1 TYR 44 HE1 TYR 44 -0.437 10.258 -0.805
333 HE2 TYR 44 HE2 TYR 44 2.740 12.266 1.214
334 HH TYR 44 HH TYR 44 0.660 12.171 1.980
335 H ASP 45 H ASP 45 5.926 9.476 -0.149
336 HA ASP 45 HA ASP 45 4.498 7.067 0.697
337 HB2 ASP 45 2HB ASP 45 7.020 7.375 1.002
338 HB3 ASP 45 3HB ASP 45 6.614 8.534 2.266
339 H SER 46 H SER 46 2.668 7.260 1.786
340 HA SER 46 HA SER 46 1.875 9.790 2.922
341 HB2 SER 46 2HB SER 46 -0.240 8.988 2.790
342 HB3 SER 46 3HB SER 46 0.483 7.733 1.784
343 HG SER 46 HG SER 46 -0.688 6.725 3.380
344 H TYR 47 H TYR 47 3.327 6.882 4.032
345 HA TYR 47 HA TYR 47 2.503 6.949 6.734
346 HB2 TYR 47 2HB TYR 47 3.564 4.992 5.562
347 HB3 TYR 47 3HB TYR 47 5.103 5.840 5.665
348 HD1 TYR 47 HD1 TYR 47 6.121 6.278 7.894
349 HD2 TYR 47 HD2 TYR 47 2.657 3.849 7.443
350 HE1 TYR 47 HE1 TYR 47 6.492 5.342 10.139
351 HE2 TYR 47 HE2 TYR 47 3.017 2.908 9.686
352 HH TYR 47 HH TYR 47 5.693 2.900 11.268
353 H ASN 48 H ASN 48 5.312 8.300 5.053
354 HA ASN 48 HA ASN 48 6.009 9.766 7.508
355 HB2 ASN 48 2HB ASN 48 8.069 10.057 5.592
356 HB3 ASN 48 3HB ASN 48 8.111 9.128 7.088
357 HD21 ASN 48 1HD2 ASN 48 8.459 8.975 3.811
358 HD22 ASN 48 2HD2 ASN 48 8.260 7.274 3.586
359 H ARG 49 H ARG 49 4.326 10.183 4.751
360 HA ARG 49 HA ARG 49 3.613 11.976 3.546
361 HB2 ARG 49 2HB ARG 49 4.771 13.734 5.699
362 HB3 ARG 49 3HB ARG 49 3.369 14.035 4.680
363 HG2 ARG 49 2HG ARG 49 2.409 11.920 5.870
364 HG3 ARG 49 3HG ARG 49 3.624 12.304 7.091
365 HD2 ARG 49 2HD ARG 49 2.659 14.682 7.011
366 HD3 ARG 49 3HD ARG 49 1.290 13.952 6.173
367 HE ARG 49 HE ARG 49 0.580 13.110 8.172
368 HH11 ARG 49 1HH1 ARG 49 3.941 13.971 8.450
369 HH12 ARG 49 2HH1 ARG 49 4.014 13.661 10.153
370 HH21 ARG 49 1HH2 ARG 49 0.663 12.699 10.414
371 HH22 ARG 49 2HH2 ARG 49 2.149 12.937 11.269
372 H LYS 50 H LYS 50 6.399 10.980 3.260
373 HA LYS 50 HA LYS 50 7.706 13.415 2.251
374 HB2 LYS 50 2HB LYS 50 9.229 12.403 3.692
375 HB3 LYS 50 3HB LYS 50 8.750 10.778 3.218
376 HG2 LYS 50 2HG LYS 50 10.168 10.723 1.468
377 HG3 LYS 50 3HG LYS 50 9.951 12.436 1.099
378 HD2 LYS 50 2HD LYS 50 12.034 12.638 1.925
379 HD3 LYS 50 3HD LYS 50 11.225 12.574 3.493
380 HE2 LYS 50 2HE LYS 50 11.807 9.950 2.326
381 HE3 LYS 50 3HE LYS 50 13.239 10.913 2.687
382 HZ1 LYS 50 1HZ LYS 50 12.711 10.997 4.932
383 HZ2 LYS 50 2HZ LYS 50 12.315 9.408 4.508
384 HZ3 LYS 50 3HZ LYS 50 11.094 10.566 4.686
385 H VAL 51 H VAL 51 8.179 13.642 0.129
386 HA VAL 51 HA VAL 51 7.299 11.477 -1.664
387 HB VAL 51 HB VAL 51 7.524 14.429 -2.270
388 HG11 VAL 51 1HG1 VAL 51 6.250 12.254 -3.920
389 HG12 VAL 51 2HG1 VAL 51 6.506 13.941 -4.372
390 HG13 VAL 51 3HG1 VAL 51 7.886 12.858 -4.185
391 HG21 VAL 51 1HG2 VAL 51 4.969 12.871 -2.087
392 HG22 VAL 51 2HG2 VAL 51 5.689 13.609 -0.656
393 HG23 VAL 51 3HG2 VAL 51 5.214 14.617 -2.024
394 H LYS 52 H LYS 52 8.849 10.413 -2.686
395 HA LYS 52 HA LYS 52 11.413 11.780 -3.178
396 HB2 LYS 52 2HB LYS 52 11.631 9.925 -1.601
397 HB3 LYS 52 3HB LYS 52 10.871 8.835 -2.753
398 HG2 LYS 52 2HG LYS 52 12.732 9.046 -4.260
399 HG3 LYS 52 3HG LYS 52 13.471 10.276 -3.233
400 HD2 LYS 52 2HD LYS 52 14.029 8.736 -1.580
401 HD3 LYS 52 3HD LYS 52 12.843 7.556 -2.144
402 HE2 LYS 52 2HE LYS 52 14.198 6.800 -3.832
403 HE3 LYS 52 3HE LYS 52 15.057 8.332 -3.976
404 HZ1 LYS 52 1HZ LYS 52 16.130 6.207 -2.854
405 HZ2 LYS 52 2HZ LYS 52 15.387 6.858 -1.481
406 HZ3 LYS 52 3HZ LYS 52 16.509 7.778 -2.351
407 H CYS 53 H CYS 53 12.253 11.787 -5.202
408 HA CYS 53 HA CYS 53 10.669 10.454 -7.300
409 HB2 CYS 53 2HB CYS 53 12.003 13.139 -7.213
410 HB3 CYS 53 3HB CYS 53 11.754 12.332 -8.758
411 H ASP 54 H ASP 54 11.722 9.341 -8.904
412 HA ASP 54 HA ASP 54 14.650 9.254 -8.832
413 HB2 ASP 54 2HB ASP 54 14.256 7.358 -7.539
414 HB3 ASP 54 3HB ASP 54 12.778 6.951 -8.407
415 H PHE 55 H PHE 55 15.635 8.663 -10.778
416 HA PHE 55 HA PHE 55 13.836 8.377 -13.089
417 HB2 PHE 55 2HB PHE 55 15.492 9.793 -14.372
418 HB3 PHE 55 3HB PHE 55 14.545 10.653 -13.162
419 HD1 PHE 55 HD1 PHE 55 17.803 9.935 -14.366
420 HD2 PHE 55 HD2 PHE 55 15.635 11.008 -10.864
421 HE1 PHE 55 HE1 PHE 55 19.879 10.764 -13.339
422 HE2 PHE 55 HE2 PHE 55 17.708 11.840 -9.832
423 HZ PHE 55 HZ PHE 55 19.834 11.719 -11.070
424 H ARG 56 H ARG 56 15.187 7.736 -15.101
425 HA ARG 56 HA ARG 56 17.424 5.987 -14.423
426 HB2 ARG 56 2HB ARG 56 16.328 4.172 -15.858
427 HB3 ARG 56 3HB ARG 56 15.699 4.404 -14.232
428 HG2 ARG 56 2HG ARG 56 13.818 5.647 -15.094
429 HG3 ARG 56 3HG ARG 56 14.471 5.549 -16.731
430 HD2 ARG 56 2HD ARG 56 13.593 3.527 -17.040
431 HD3 ARG 56 3HD ARG 56 14.279 2.933 -15.528
432 HE ARG 56 HE ARG 56 12.237 3.213 -14.542
433 HH11 ARG 56 1HH1 ARG 56 12.323 5.050 -17.498
434 HH12 ARG 56 2HH1 ARG 56 10.646 5.478 -17.433
435 HH21 ARG 56 1HH2 ARG 56 10.027 3.770 -14.446
436 HH22 ARG 56 2HH2 ARG 56 9.341 4.750 -15.697
437 H HIS 57 H HIS 57 18.781 5.491 -16.170
438 HA HIS 57 HA HIS 57 19.860 5.858 -18.139
439 HB2 HIS 57 2HB HIS 57 17.334 5.216 -18.873
440 HB3 HIS 57 3HB HIS 57 17.461 6.825 -19.576
441 HD1 HIS 57 HD1 HIS 57 18.022 6.593 -21.964
442 HD2 HIS 57 HD2 HIS 57 20.034 3.801 -19.636
443 HE1 HIS 57 HE1 HIS 57 19.485 5.315 -23.561
Start of MODEL 11
1 H1 LEU 1 H LEU 1 2.660 -2.037 -0.907
2 HA LEU 1 HA LEU 1 2.817 -1.589 -3.156
3 HB2 LEU 1 2HB LEU 1 -0.192 -1.421 -3.138
4 HB3 LEU 1 3HB LEU 1 0.847 -1.473 -4.560
5 HG LEU 1 HG LEU 1 1.022 -3.756 -2.676
6 HD11 LEU 1 1HD1 LEU 1 -0.942 -4.830 -3.583
7 HD12 LEU 1 2HD1 LEU 1 -1.302 -3.410 -4.565
8 HD13 LEU 1 3HD1 LEU 1 -1.398 -3.313 -2.807
9 HD21 LEU 1 1HD2 LEU 1 1.401 -4.991 -4.681
10 HD22 LEU 1 2HD2 LEU 1 2.363 -3.516 -4.773
11 HD23 LEU 1 3HD2 LEU 1 0.856 -3.645 -5.682
12 H GLU 2 H GLU 2 3.814 0.342 -3.064
13 HA GLU 2 HA GLU 2 2.866 2.702 -1.976
14 HB2 GLU 2 2HB GLU 2 4.988 1.975 -3.899
15 HB3 GLU 2 3HB GLU 2 4.466 3.653 -3.943
16 HG2 GLU 2 2HG GLU 2 6.171 3.758 -2.426
17 HG3 GLU 2 3HG GLU 2 4.785 3.527 -1.361
18 H TYR 3 H TYR 3 2.421 4.757 -3.232
19 HA TYR 3 HA TYR 3 0.148 4.272 -4.951
20 HB2 TYR 3 2HB TYR 3 1.336 6.713 -3.663
21 HB3 TYR 3 3HB TYR 3 0.108 6.868 -4.915
22 HD1 TYR 3 HD1 TYR 3 0.688 6.462 -1.448
23 HD2 TYR 3 HD2 TYR 3 -2.088 5.519 -4.531
24 HE1 TYR 3 HE1 TYR 3 -1.067 6.127 0.243
25 HE2 TYR 3 HE2 TYR 3 -3.851 5.183 -2.849
26 HH TYR 3 HH TYR 3 -3.502 4.548 0.078
27 H LYS 4 H LYS 4 -0.077 4.903 -7.079
28 HA LYS 4 HA LYS 4 2.374 5.020 -8.601
29 HB2 LYS 4 2HB LYS 4 0.758 3.651 -9.597
30 HB3 LYS 4 3HB LYS 4 -0.538 4.800 -9.295
31 HG2 LYS 4 2HG LYS 4 -0.166 5.912 -11.202
32 HG3 LYS 4 3HG LYS 4 1.588 5.803 -11.043
33 HD2 LYS 4 2HD LYS 4 1.708 3.856 -12.211
34 HD3 LYS 4 3HD LYS 4 0.137 3.291 -11.640
35 HE2 LYS 4 2HE LYS 4 -0.860 4.027 -13.486
36 HE3 LYS 4 3HE LYS 4 -0.182 5.639 -13.265
37 HZ1 LYS 4 1HZ LYS 4 1.601 5.173 -14.602
38 HZ2 LYS 4 2HZ LYS 4 0.402 4.255 -15.365
39 HZ3 LYS 4 3HZ LYS 4 1.522 3.502 -14.344
40 H GLY 5 H GLY 5 3.403 6.894 -8.844
41 HA2 GLY 5 2HA GLY 5 1.797 9.267 -9.535
42 HA3 GLY 5 3HA GLY 5 3.047 9.375 -8.304
43 H GLU 6 H GLU 6 2.921 10.910 -10.708
44 HA GLU 6 HA GLU 6 5.248 9.857 -12.176
45 HB2 GLU 6 2HB GLU 6 3.444 12.020 -13.220
46 HB3 GLU 6 3HB GLU 6 4.513 10.950 -14.116
47 HG2 GLU 6 2HG GLU 6 1.976 10.125 -12.723
48 HG3 GLU 6 3HG GLU 6 2.162 10.393 -14.455
49 H CYS 7 H CYS 7 6.680 11.597 -13.098
50 HA CYS 7 HA CYS 7 6.950 13.826 -11.189
51 HB2 CYS 7 2HB CYS 7 8.993 13.105 -10.645
52 HB3 CYS 7 3HB CYS 7 8.766 11.704 -11.687
53 H PHE 8 H PHE 8 7.876 15.770 -12.006
54 HA PHE 8 HA PHE 8 7.339 16.144 -14.859
55 HB2 PHE 8 2HB PHE 8 7.522 18.032 -12.523
56 HB3 PHE 8 3HB PHE 8 7.569 18.622 -14.180
57 HD1 PHE 8 HD1 PHE 8 5.585 19.403 -14.999
58 HD2 PHE 8 HD2 PHE 8 5.530 16.213 -12.182
59 HE1 PHE 8 HE1 PHE 8 3.126 19.381 -15.077
60 HE2 PHE 8 HE2 PHE 8 3.071 16.185 -12.257
61 HZ PHE 8 HZ PHE 8 1.866 17.769 -13.706
62 H THR 9 H THR 9 8.784 17.892 -15.900
63 HA THR 9 HA THR 9 11.316 16.909 -16.295
64 HB THR 9 HB THR 9 11.524 19.715 -16.647
65 HG1 THR 9 HG1 THR 9 9.492 20.276 -16.817
66 HG21 THR 9 1HG2 THR 9 12.029 17.465 -18.080
67 HG22 THR 9 2HG2 THR 9 12.061 19.095 -18.750
68 HG23 THR 9 3HG2 THR 9 10.620 18.095 -18.932
69 H LYS 10 H LYS 10 13.301 18.608 -15.977
70 HA LYS 10 HA LYS 10 14.148 18.293 -13.350
71 HB2 LYS 10 2HB LYS 10 15.317 19.110 -15.684
72 HB3 LYS 10 3HB LYS 10 15.313 20.602 -14.752
73 HG2 LYS 10 2HG LYS 10 17.138 19.907 -13.718
74 HG3 LYS 10 3HG LYS 10 16.197 18.597 -13.002
75 HD2 LYS 10 2HD LYS 10 17.608 17.234 -14.085
76 HD3 LYS 10 3HD LYS 10 16.685 17.656 -15.529
77 HE2 LYS 10 2HE LYS 10 18.250 19.468 -16.005
78 HE3 LYS 10 3HE LYS 10 19.160 19.076 -14.548
79 HZ1 LYS 10 1HZ LYS 10 19.831 17.025 -15.459
80 HZ2 LYS 10 2HZ LYS 10 20.075 18.169 -16.681
81 HZ3 LYS 10 3HZ LYS 10 18.738 17.135 -16.746
82 H ASP 11 H ASP 11 11.709 20.229 -14.333
83 HA ASP 11 HA ASP 11 12.183 22.636 -12.918
84 HB2 ASP 11 2HB ASP 11 10.210 21.675 -14.627
85 HB3 ASP 11 3HB ASP 11 9.371 21.900 -13.094
86 H ASN 12 H ASN 12 11.844 19.570 -11.763
87 HA ASN 12 HA ASN 12 11.526 18.693 -9.689
88 HB2 ASN 12 2HB ASN 12 12.581 21.228 -9.247
89 HB3 ASN 12 3HB ASN 12 11.168 21.169 -8.197
90 HD21 ASN 12 1HD2 ASN 12 13.320 18.553 -9.184
91 HD22 ASN 12 2HD2 ASN 12 13.871 18.166 -7.592
92 H THR 13 H THR 13 9.503 17.831 -10.131
93 HA THR 13 HA THR 13 7.354 18.847 -8.554
94 HB THR 13 HB THR 13 6.195 18.628 -11.180
95 HG1 THR 13 HG1 THR 13 8.435 19.504 -11.607
96 HG21 THR 13 1HG2 THR 13 5.568 19.858 -8.887
97 HG22 THR 13 2HG2 THR 13 4.923 20.367 -10.448
98 HG23 THR 13 3HG2 THR 13 6.297 21.217 -9.742
99 H CYS 14 H CYS 14 5.612 17.376 -8.372
100 HA CYS 14 HA CYS 14 5.783 14.868 -9.846
101 HB2 CYS 14 2HB CYS 14 6.387 15.185 -6.949
102 HB3 CYS 14 3HB CYS 14 5.444 13.779 -7.430
103 H LYS 15 H LYS 15 3.857 13.731 -9.940
104 HA LYS 15 HA LYS 15 1.546 14.954 -8.589
105 HB2 LYS 15 2HB LYS 15 1.645 15.667 -10.961
106 HB3 LYS 15 3HB LYS 15 1.603 13.979 -11.451
107 HG2 LYS 15 2HG LYS 15 -0.583 15.090 -11.638
108 HG3 LYS 15 3HG LYS 15 -0.606 13.716 -10.530
109 HD2 LYS 15 2HD LYS 15 -1.289 15.015 -8.858
110 HD3 LYS 15 3HD LYS 15 0.069 16.115 -9.105
111 HE2 LYS 15 2HE LYS 15 -2.585 16.172 -10.536
112 HE3 LYS 15 3HE LYS 15 -2.020 17.318 -9.322
113 HZ1 LYS 15 1HZ LYS 15 -1.390 18.480 -11.118
114 HZ2 LYS 15 2HZ LYS 15 -1.360 17.130 -12.136
115 HZ3 LYS 15 3HZ LYS 15 -0.049 17.449 -11.116
116 H TYR 16 H TYR 16 0.720 13.495 -7.253
117 HA TYR 16 HA TYR 16 0.650 10.679 -8.120
118 HB2 TYR 16 2HB TYR 16 0.930 9.980 -5.853
119 HB3 TYR 16 3HB TYR 16 2.172 11.185 -6.175
120 HD1 TYR 16 HD1 TYR 16 1.524 13.651 -5.519
121 HD2 TYR 16 HD2 TYR 16 -0.338 10.173 -3.927
122 HE1 TYR 16 HE1 TYR 16 0.772 14.952 -3.573
123 HE2 TYR 16 HE2 TYR 16 -1.097 11.465 -1.977
124 HH TYR 16 HH TYR 16 -1.447 13.636 -1.229
125 H LYS 17 H LYS 17 -1.183 9.438 -7.513
126 HA LYS 17 HA LYS 17 -3.567 11.069 -6.931
127 HB2 LYS 17 2HB LYS 17 -3.670 10.218 -9.185
128 HB3 LYS 17 3HB LYS 17 -3.281 8.593 -8.637
129 HG2 LYS 17 2HG LYS 17 -5.415 8.555 -7.382
130 HG3 LYS 17 3HG LYS 17 -5.808 10.130 -8.075
131 HD2 LYS 17 2HD LYS 17 -5.217 7.657 -9.698
132 HD3 LYS 17 3HD LYS 17 -6.841 8.204 -9.274
133 HE2 LYS 17 2HE LYS 17 -5.673 10.463 -10.327
134 HE3 LYS 17 3HE LYS 17 -5.011 9.172 -11.327
135 HZ1 LYS 17 1HZ LYS 17 -7.632 10.272 -11.318
136 HZ2 LYS 17 2HZ LYS 17 -7.685 8.599 -11.079
137 HZ3 LYS 17 3HZ LYS 17 -6.911 9.234 -12.443
138 H ILE 18 H ILE 18 -4.933 10.431 -5.338
139 HA ILE 18 HA ILE 18 -4.315 7.900 -3.961
140 HB ILE 18 HB ILE 18 -5.137 10.475 -2.615
141 HG12 ILE 18 2HG1 ILE 18 -2.821 10.534 -3.513
142 HG13 ILE 18 3HG1 ILE 18 -2.871 10.588 -1.755
143 HG21 ILE 18 1HG2 ILE 18 -4.431 7.749 -1.552
144 HG22 ILE 18 2HG2 ILE 18 -4.512 9.195 -0.548
145 HG23 ILE 18 3HG2 ILE 18 -5.956 8.616 -1.377
146 HD11 ILE 18 1HD1 ILE 18 -2.186 8.225 -3.482
147 HD12 ILE 18 2HD1 ILE 18 -1.105 9.135 -2.426
148 HD13 ILE 18 3HD1 ILE 18 -2.395 8.151 -1.733
149 H ASP 19 H ASP 19 -6.048 6.792 -3.033
150 HA ASP 19 HA ASP 19 -8.434 6.729 -4.399
151 HB2 ASP 19 2HB ASP 19 -8.021 5.953 -1.503
152 HB3 ASP 19 3HB ASP 19 -9.321 5.393 -2.551
153 H GLY 20 H GLY 20 -10.008 8.171 -4.591
154 HA2 GLY 20 2HA GLY 20 -11.840 9.344 -3.530
155 HA3 GLY 20 3HA GLY 20 -10.747 9.758 -2.217
156 H LYS 21 H LYS 21 -8.901 11.192 -2.799
157 HA LYS 21 HA LYS 21 -9.628 13.050 -4.965
158 HB2 LYS 21 2HB LYS 21 -8.877 13.645 -2.116
159 HB3 LYS 21 3HB LYS 21 -8.609 14.833 -3.385
160 HG2 LYS 21 2HG LYS 21 -11.271 13.595 -2.712
161 HG3 LYS 21 3HG LYS 21 -10.719 15.183 -2.174
162 HD2 LYS 21 2HD LYS 21 -11.112 14.314 -5.038
163 HD3 LYS 21 3HD LYS 21 -12.180 15.377 -4.119
164 HE2 LYS 21 2HE LYS 21 -9.804 16.637 -3.801
165 HE3 LYS 21 3HE LYS 21 -9.591 15.934 -5.404
166 HZ1 LYS 21 1HZ LYS 21 -11.693 16.977 -6.066
167 HZ2 LYS 21 2HZ LYS 21 -10.543 18.120 -5.585
168 HZ3 LYS 21 3HZ LYS 21 -11.812 17.709 -4.545
169 H THR 22 H THR 22 -7.911 14.126 -5.997
170 HA THR 22 HA THR 22 -5.334 12.747 -5.718
171 HB THR 22 HB THR 22 -6.413 14.405 -8.005
172 HG1 THR 22 HG1 THR 22 -6.185 12.201 -9.005
173 HG21 THR 22 1HG2 THR 22 -4.428 13.623 -9.234
174 HG22 THR 22 2HG2 THR 22 -3.823 12.871 -7.759
175 HG23 THR 22 3HG2 THR 22 -3.992 14.623 -7.850
176 H TYR 23 H TYR 23 -3.438 13.835 -5.378
177 HA TYR 23 HA TYR 23 -3.581 16.753 -5.056
178 HB2 TYR 23 2HB TYR 23 -1.970 15.112 -3.134
179 HB3 TYR 23 3HB TYR 23 -2.621 16.736 -2.937
180 HD1 TYR 23 HD1 TYR 23 -4.753 17.086 -1.969
181 HD2 TYR 23 HD2 TYR 23 -3.525 13.147 -3.007
182 HE1 TYR 23 HE1 TYR 23 -6.679 16.169 -0.745
183 HE2 TYR 23 HE2 TYR 23 -5.448 12.219 -1.787
184 HH TYR 23 HH TYR 23 -7.238 13.935 0.400
185 H LEU 24 H LEU 24 -1.326 17.704 -4.828
186 HA LEU 24 HA LEU 24 0.388 16.447 -6.845
187 HB2 LEU 24 2HB LEU 24 -0.287 19.180 -6.114
188 HB3 LEU 24 3HB LEU 24 1.450 18.935 -6.280
189 HG LEU 24 HG LEU 24 -0.415 18.049 -8.449
190 HD11 LEU 24 1HD1 LEU 24 0.471 20.840 -7.825
191 HD12 LEU 24 2HD1 LEU 24 -1.125 20.255 -8.295
192 HD13 LEU 24 3HD1 LEU 24 0.172 20.329 -9.487
193 HD21 LEU 24 1HD2 LEU 24 2.435 18.241 -8.025
194 HD22 LEU 24 2HD2 LEU 24 1.938 19.138 -9.461
195 HD23 LEU 24 3HD2 LEU 24 1.539 17.426 -9.308
196 H ALA 25 H ALA 25 2.590 16.118 -6.513
197 HA ALA 25 HA ALA 25 3.467 16.256 -3.701
198 HB1 ALA 25 1HB ALA 25 5.023 14.295 -4.805
199 HB2 ALA 25 2HB ALA 25 3.569 14.026 -3.843
200 HB3 ALA 25 3HB ALA 25 3.472 14.040 -5.604
201 H LYS 26 H LYS 26 5.670 16.712 -3.307
202 HA LYS 26 HA LYS 26 7.014 18.070 -5.549
203 HB2 LYS 26 2HB LYS 26 6.475 19.675 -3.877
204 HB3 LYS 26 3HB LYS 26 7.035 18.622 -2.585
205 HG2 LYS 26 2HG LYS 26 8.586 20.465 -3.030
206 HG3 LYS 26 3HG LYS 26 9.325 18.887 -3.311
207 HD2 LYS 26 2HD LYS 26 9.769 19.412 -5.428
208 HD3 LYS 26 3HD LYS 26 8.083 19.848 -5.720
209 HE2 LYS 26 2HE LYS 26 9.039 21.875 -6.105
210 HE3 LYS 26 3HE LYS 26 8.814 22.011 -4.361
211 HZ1 LYS 26 1HZ LYS 26 10.988 22.241 -4.124
212 HZ2 LYS 26 2HZ LYS 26 11.198 22.153 -5.800
213 HZ3 LYS 26 3HZ LYS 26 11.269 20.746 -4.864
214 H CYS 27 H CYS 27 9.155 17.670 -5.967
215 HA CYS 27 HA CYS 27 10.353 15.428 -4.476
216 HB2 CYS 27 2HB CYS 27 10.334 16.136 -7.379
217 HB3 CYS 27 3HB CYS 27 11.734 15.291 -6.726
218 HA PRO 28 HA PRO 28 13.847 17.845 -3.388
219 HB2 PRO 28 2HB PRO 28 15.905 16.107 -3.728
220 HB3 PRO 28 3HB PRO 28 14.734 15.963 -2.412
221 HG2 PRO 28 2HG PRO 28 14.840 14.500 -5.022
222 HG3 PRO 28 3HG PRO 28 14.492 13.872 -3.400
223 HD2 PRO 28 2HD PRO 28 12.545 14.409 -5.203
224 HD3 PRO 28 3HD PRO 28 12.303 14.592 -3.454
225 H SER 29 H SER 29 15.394 19.189 -4.235
226 HA SER 29 HA SER 29 15.549 19.313 -7.118
227 HB2 SER 29 2HB SER 29 16.847 21.411 -6.683
228 HB3 SER 29 3HB SER 29 15.252 21.396 -5.931
229 HG SER 29 HG SER 29 17.671 21.629 -4.775
230 H ALA 30 H ALA 30 17.146 17.525 -4.931
231 HA ALA 30 HA ALA 30 19.849 17.839 -5.287
232 HB1 ALA 30 1HB ALA 30 19.572 15.103 -5.305
233 HB2 ALA 30 2HB ALA 30 19.647 16.127 -3.870
234 HB3 ALA 30 3HB ALA 30 18.083 15.651 -4.533
235 H ALA 31 H ALA 31 21.341 17.342 -6.823
236 HA ALA 31 HA ALA 31 20.586 17.257 -9.514
237 HB1 ALA 31 1HB ALA 31 22.710 17.922 -9.580
238 HB2 ALA 31 2HB ALA 31 23.061 17.207 -8.006
239 HB3 ALA 31 3HB ALA 31 23.150 16.218 -9.463
240 H ASN 32 H ASN 32 21.641 14.662 -7.338
241 HA ASN 32 HA ASN 32 21.326 12.657 -9.400
242 HB2 ASN 32 2HB ASN 32 22.958 12.775 -7.261
243 HB3 ASN 32 3HB ASN 32 21.637 11.842 -6.563
244 HD21 ASN 32 1HD2 ASN 32 23.277 11.948 -9.712
245 HD22 ASN 32 2HD2 ASN 32 23.579 10.249 -9.800
246 H THR 33 H THR 33 19.274 14.265 -7.323
247 HA THR 33 HA THR 33 17.342 12.038 -7.345
248 HB THR 33 HB THR 33 16.944 14.309 -5.465
249 HG1 THR 33 HG1 THR 33 18.725 12.178 -4.846
250 HG21 THR 33 1HG2 THR 33 15.310 12.496 -5.617
251 HG22 THR 33 2HG2 THR 33 16.087 12.509 -4.033
252 HG23 THR 33 3HG2 THR 33 16.569 11.320 -5.242
253 H LYS 34 H LYS 34 17.981 14.360 -9.256
254 HA LYS 34 HA LYS 34 15.402 15.740 -9.254
255 HB2 LYS 34 2HB LYS 34 18.082 16.286 -10.361
256 HB3 LYS 34 3HB LYS 34 16.738 16.760 -11.393
257 HG2 LYS 34 2HG LYS 34 16.199 17.612 -8.726
258 HG3 LYS 34 3HG LYS 34 17.819 18.139 -9.188
259 HD2 LYS 34 2HD LYS 34 16.906 19.150 -11.224
260 HD3 LYS 34 3HD LYS 34 15.287 18.621 -10.760
261 HE2 LYS 34 2HE LYS 34 15.100 20.189 -9.108
262 HE3 LYS 34 3HE LYS 34 16.837 20.239 -8.809
263 HZ1 LYS 34 1HZ LYS 34 15.285 21.604 -10.912
264 HZ2 LYS 34 2HZ LYS 34 16.937 21.313 -11.121
265 HZ3 LYS 34 3HZ LYS 34 16.403 22.257 -9.823
266 H CYS 35 H CYS 35 14.459 16.110 -11.520
267 HA CYS 35 HA CYS 35 14.169 13.484 -12.768
268 HB2 CYS 35 2HB CYS 35 12.542 16.022 -12.912
269 HB3 CYS 35 3HB CYS 35 12.238 14.641 -13.961
270 H GLU 36 H GLU 36 14.580 13.071 -14.906
271 HA GLU 36 HA GLU 36 16.348 14.965 -16.233
272 HB2 GLU 36 2HB GLU 36 16.889 13.135 -17.736
273 HB3 GLU 36 3HB GLU 36 17.009 12.596 -16.067
274 HG2 GLU 36 2HG GLU 36 15.773 10.864 -16.693
275 HG3 GLU 36 3HG GLU 36 14.414 11.986 -16.715
276 H LYS 37 H LYS 37 13.193 13.495 -16.634
277 HA LYS 37 HA LYS 37 12.530 15.489 -18.641
278 HB2 LYS 37 2HB LYS 37 13.428 13.317 -19.745
279 HB3 LYS 37 3HB LYS 37 11.885 12.622 -19.266
280 HG2 LYS 37 2HG LYS 37 11.068 14.906 -20.471
281 HG3 LYS 37 3HG LYS 37 12.519 14.528 -21.402
282 HD2 LYS 37 2HD LYS 37 11.106 12.108 -21.048
283 HD3 LYS 37 3HD LYS 37 9.928 13.327 -21.538
284 HE2 LYS 37 2HE LYS 37 10.810 13.533 -23.604
285 HE3 LYS 37 3HE LYS 37 12.466 13.351 -23.028
286 HZ1 LYS 37 1HZ LYS 37 10.897 10.949 -22.816
287 HZ2 LYS 37 2HZ LYS 37 12.447 11.176 -23.455
288 HZ3 LYS 37 3HZ LYS 37 11.085 11.487 -24.409
289 H ASP 38 H ASP 38 10.283 15.818 -18.896
290 HA ASP 38 HA ASP 38 8.761 15.391 -16.547
291 HB2 ASP 38 2HB ASP 38 8.582 17.269 -18.344
292 HB3 ASP 38 3HB ASP 38 7.516 16.139 -19.174
293 H GLY 39 H GLY 39 6.829 14.184 -16.270
294 HA2 GLY 39 2HA GLY 39 5.289 12.496 -16.760
295 HA3 GLY 39 3HA GLY 39 6.137 12.193 -18.270
296 H ASN 40 H ASN 40 8.527 12.298 -16.086
297 HA ASN 40 HA ASN 40 9.131 9.586 -16.183
298 HB2 ASN 40 2HB ASN 40 10.327 11.905 -15.144
299 HB3 ASN 40 3HB ASN 40 10.208 10.790 -13.786
300 HD21 ASN 40 1HD2 ASN 40 12.326 11.819 -15.866
301 HD22 ASN 40 2HD2 ASN 40 13.219 10.381 -16.209
302 H LYS 41 H LYS 41 9.617 8.417 -13.917
303 HA LYS 41 HA LYS 41 6.980 8.002 -12.749
304 HB2 LYS 41 2HB LYS 41 9.199 6.334 -13.356
305 HB3 LYS 41 3HB LYS 41 8.961 6.281 -11.615
306 HG2 LYS 41 2HG LYS 41 6.572 5.976 -13.345
307 HG3 LYS 41 3HG LYS 41 7.711 4.631 -13.255
308 HD2 LYS 41 2HD LYS 41 6.937 4.044 -11.253
309 HD3 LYS 41 3HD LYS 41 7.201 5.673 -10.626
310 HE2 LYS 41 2HE LYS 41 5.039 6.357 -11.621
311 HE3 LYS 41 3HE LYS 41 4.775 4.688 -12.125
312 HZ1 LYS 41 1HZ LYS 41 3.694 5.400 -9.978
313 HZ2 LYS 41 2HZ LYS 41 5.242 5.428 -9.298
314 HZ3 LYS 41 3HZ LYS 41 4.613 3.981 -9.909
315 H CYS 42 H CYS 42 6.476 8.293 -10.615
316 HA CYS 42 HA CYS 42 8.571 9.323 -8.837
317 HB2 CYS 42 2HB CYS 42 7.166 11.173 -9.924
318 HB3 CYS 42 3HB CYS 42 5.832 10.576 -8.942
319 H THR 43 H THR 43 8.005 9.219 -6.557
320 HA THR 43 HA THR 43 5.871 7.286 -5.952
321 HB THR 43 HB THR 43 8.090 6.981 -4.131
322 HG1 THR 43 HG1 THR 43 8.615 6.510 -6.895
323 HG21 THR 43 1HG2 THR 43 7.835 4.600 -5.379
324 HG22 THR 43 2HG2 THR 43 6.276 5.327 -5.767
325 HG23 THR 43 3HG2 THR 43 6.770 5.144 -4.085
326 H TYR 44 H TYR 44 4.772 7.606 -4.057
327 HA TYR 44 HA TYR 44 5.675 9.764 -2.287
328 HB2 TYR 44 2HB TYR 44 4.136 10.980 -3.546
329 HB3 TYR 44 3HB TYR 44 3.065 9.600 -3.757
330 HD1 TYR 44 HD1 TYR 44 1.475 8.980 -2.023
331 HD2 TYR 44 HD2 TYR 44 4.050 12.331 -1.532
332 HE1 TYR 44 HE1 TYR 44 0.088 9.763 -0.149
333 HE2 TYR 44 HE2 TYR 44 2.671 13.123 0.344
334 HH TYR 44 HH TYR 44 -0.122 12.567 0.937
335 H ASP 45 H ASP 45 5.515 9.259 -0.199
336 HA ASP 45 HA ASP 45 4.139 6.780 0.521
337 HB2 ASP 45 2HB ASP 45 6.572 7.265 1.150
338 HB3 ASP 45 3HB ASP 45 5.926 8.417 2.315
339 H SER 46 H SER 46 2.249 6.789 1.534
340 HA SER 46 HA SER 46 1.070 9.295 2.357
341 HB2 SER 46 2HB SER 46 -0.439 7.860 1.241
342 HB3 SER 46 3HB SER 46 0.058 6.460 2.192
343 HG SER 46 HG SER 46 -1.759 8.447 2.782
344 H TYR 47 H TYR 47 2.922 6.889 3.822
345 HA TYR 47 HA TYR 47 1.769 7.078 6.454
346 HB2 TYR 47 2HB TYR 47 2.980 5.051 5.554
347 HB3 TYR 47 3HB TYR 47 4.477 5.964 5.712
348 HD1 TYR 47 HD1 TYR 47 5.601 6.077 7.772
349 HD2 TYR 47 HD2 TYR 47 1.603 4.629 7.646
350 HE1 TYR 47 HE1 TYR 47 5.790 5.372 10.120
351 HE2 TYR 47 HE2 TYR 47 1.780 3.920 9.995
352 HH TYR 47 HH TYR 47 4.081 3.265 11.550
353 H ASN 48 H ASN 48 4.652 8.331 4.819
354 HA ASN 48 HA ASN 48 5.127 10.093 7.128
355 HB2 ASN 48 2HB ASN 48 7.333 10.255 5.397
356 HB3 ASN 48 3HB ASN 48 7.255 9.422 6.947
357 HD21 ASN 48 1HD2 ASN 48 7.865 9.079 3.712
358 HD22 ASN 48 2HD2 ASN 48 7.731 7.361 3.587
359 H ARG 49 H ARG 49 3.649 10.128 4.227
360 HA ARG 49 HA ARG 49 3.044 11.725 2.721
361 HB2 ARG 49 2HB ARG 49 3.676 13.470 5.104
362 HB3 ARG 49 3HB ARG 49 2.899 14.061 3.641
363 HG2 ARG 49 2HG ARG 49 1.030 12.543 4.003
364 HG3 ARG 49 3HG ARG 49 1.815 11.915 5.454
365 HD2 ARG 49 2HD ARG 49 1.237 14.840 5.150
366 HD3 ARG 49 3HD ARG 49 -0.008 13.724 5.709
367 HE ARG 49 HE ARG 49 2.275 13.292 7.248
368 HH11 ARG 49 1HH1 ARG 49 -0.068 15.803 6.676
369 HH12 ARG 49 2HH1 ARG 49 0.078 16.481 8.263
370 HH21 ARG 49 1HH2 ARG 49 2.476 14.176 9.341
371 HH22 ARG 49 2HH2 ARG 49 1.526 15.555 9.778
372 H LYS 50 H LYS 50 5.852 10.885 2.797
373 HA LYS 50 HA LYS 50 7.149 13.313 1.750
374 HB2 LYS 50 2HB LYS 50 8.545 12.575 3.451
375 HB3 LYS 50 3HB LYS 50 8.206 10.878 3.133
376 HG2 LYS 50 2HG LYS 50 9.753 10.736 1.457
377 HG3 LYS 50 3HG LYS 50 9.636 12.451 1.054
378 HD2 LYS 50 2HD LYS 50 11.736 12.237 2.067
379 HD3 LYS 50 3HD LYS 50 10.699 12.869 3.348
380 HE2 LYS 50 2HE LYS 50 10.525 10.739 4.376
381 HE3 LYS 50 3HE LYS 50 11.239 9.931 2.981
382 HZ1 LYS 50 1HZ LYS 50 12.955 11.941 4.073
383 HZ2 LYS 50 2HZ LYS 50 13.278 10.315 3.741
384 HZ3 LYS 50 3HZ LYS 50 12.569 10.752 5.213
385 H VAL 51 H VAL 51 8.040 13.317 -0.277
386 HA VAL 51 HA VAL 51 7.248 11.092 -2.012
387 HB VAL 51 HB VAL 51 8.228 13.837 -2.805
388 HG11 VAL 51 1HG1 VAL 51 7.603 13.311 -5.004
389 HG12 VAL 51 2HG1 VAL 51 8.459 11.880 -4.426
390 HG13 VAL 51 3HG1 VAL 51 6.696 11.886 -4.497
391 HG21 VAL 51 1HG2 VAL 51 6.042 13.725 -1.504
392 HG22 VAL 51 2HG2 VAL 51 5.992 14.516 -3.079
393 HG23 VAL 51 3HG2 VAL 51 5.384 12.871 -2.899
394 H LYS 52 H LYS 52 8.689 9.734 -2.854
395 HA LYS 52 HA LYS 52 11.543 10.449 -2.675
396 HB2 LYS 52 2HB LYS 52 11.009 8.615 -1.181
397 HB3 LYS 52 3HB LYS 52 10.221 7.736 -2.485
398 HG2 LYS 52 2HG LYS 52 12.454 7.708 -3.656
399 HG3 LYS 52 3HG LYS 52 13.151 8.310 -2.150
400 HD2 LYS 52 2HD LYS 52 12.823 6.337 -1.050
401 HD3 LYS 52 3HD LYS 52 11.389 5.925 -1.993
402 HE2 LYS 52 2HE LYS 52 14.113 5.963 -3.245
403 HE3 LYS 52 3HE LYS 52 13.543 4.555 -2.352
404 HZ1 LYS 52 1HZ LYS 52 12.714 3.965 -4.333
405 HZ2 LYS 52 2HZ LYS 52 12.747 5.538 -4.953
406 HZ3 LYS 52 3HZ LYS 52 11.465 5.045 -3.965
407 H CYS 53 H CYS 53 12.498 10.767 -4.564
408 HA CYS 53 HA CYS 53 11.602 9.201 -6.888
409 HB2 CYS 53 2HB CYS 53 12.563 11.980 -7.350
410 HB3 CYS 53 3HB CYS 53 11.379 11.035 -8.248
411 H ASP 54 H ASP 54 13.187 8.512 -8.272
412 HA ASP 54 HA ASP 54 15.941 9.377 -7.770
413 HB2 ASP 54 2HB ASP 54 16.470 6.800 -8.117
414 HB3 ASP 54 3HB ASP 54 16.113 7.458 -6.522
415 H PHE 55 H PHE 55 17.055 9.711 -9.588
416 HA PHE 55 HA PHE 55 16.319 8.296 -12.031
417 HB2 PHE 55 2HB PHE 55 16.536 11.310 -11.969
418 HB3 PHE 55 3HB PHE 55 16.104 10.304 -13.347
419 HD1 PHE 55 HD1 PHE 55 13.898 9.353 -13.552
420 HD2 PHE 55 HD2 PHE 55 14.951 11.742 -10.191
421 HE1 PHE 55 HE1 PHE 55 11.519 9.564 -12.961
422 HE2 PHE 55 HE2 PHE 55 12.574 11.956 -9.594
423 HZ PHE 55 HZ PHE 55 10.854 10.865 -10.979
424 H ARG 56 H ARG 56 17.892 8.984 -13.855
425 HA ARG 56 HA ARG 56 20.484 9.894 -13.005
426 HB2 ARG 56 2HB ARG 56 21.584 7.726 -13.808
427 HB3 ARG 56 3HB ARG 56 20.829 7.707 -12.220
428 HG2 ARG 56 2HG ARG 56 19.218 6.253 -12.849
429 HG3 ARG 56 3HG ARG 56 19.137 6.884 -14.495
430 HD2 ARG 56 2HD ARG 56 21.455 5.827 -14.800
431 HD3 ARG 56 3HD ARG 56 21.095 4.938 -13.320
432 HE ARG 56 HE ARG 56 18.923 4.483 -14.874
433 HH11 ARG 56 1HH1 ARG 56 22.351 4.129 -15.366
434 HH12 ARG 56 2HH1 ARG 56 22.188 2.803 -16.469
435 HH21 ARG 56 1HH2 ARG 56 18.695 2.737 -16.324
436 HH22 ARG 56 2HH2 ARG 56 20.108 2.012 -17.014
437 H HIS 57 H HIS 57 21.873 10.354 -14.736
438 HA HIS 57 HA HIS 57 22.426 10.970 -16.856
439 HB2 HIS 57 2HB HIS 57 21.588 8.367 -17.076
440 HB3 HIS 57 3HB HIS 57 20.553 9.183 -18.244
441 HD1 HIS 57 HD1 HIS 57 22.215 11.024 -19.740
442 HD2 HIS 57 HD2 HIS 57 23.778 7.441 -18.334
443 HE1 HIS 57 HE1 HIS 57 24.229 10.561 -21.173
Start of MODEL 12
1 H1 LEU 1 H LEU 1 3.382 -1.307 -0.510
2 HA LEU 1 HA LEU 1 4.181 -1.038 -2.665
3 HB2 LEU 1 2HB LEU 1 2.373 -2.545 -3.447
4 HB3 LEU 1 3HB LEU 1 1.299 -1.151 -3.541
5 HG LEU 1 HG LEU 1 3.509 -0.446 -5.083
6 HD11 LEU 1 1HD1 LEU 1 4.445 -2.540 -5.337
7 HD12 LEU 1 2HD1 LEU 1 3.369 -2.446 -6.731
8 HD13 LEU 1 3HD1 LEU 1 2.883 -3.359 -5.303
9 HD21 LEU 1 1HD2 LEU 1 1.959 -0.270 -6.799
10 HD22 LEU 1 2HD2 LEU 1 0.958 -0.135 -5.353
11 HD23 LEU 1 3HD2 LEU 1 1.029 -1.659 -6.239
12 H GLU 2 H GLU 2 4.963 0.936 -2.932
13 HA GLU 2 HA GLU 2 3.781 3.294 -2.087
14 HB2 GLU 2 2HB GLU 2 6.001 2.662 -3.989
15 HB3 GLU 2 3HB GLU 2 5.425 4.319 -3.873
16 HG2 GLU 2 2HG GLU 2 7.052 4.413 -2.310
17 HG3 GLU 2 3HG GLU 2 5.736 3.845 -1.284
18 H TYR 3 H TYR 3 3.199 5.191 -3.475
19 HA TYR 3 HA TYR 3 1.128 4.384 -5.323
20 HB2 TYR 3 2HB TYR 3 1.966 7.031 -4.154
21 HB3 TYR 3 3HB TYR 3 0.752 6.922 -5.424
22 HD1 TYR 3 HD1 TYR 3 -1.019 4.875 -4.831
23 HD2 TYR 3 HD2 TYR 3 1.081 7.320 -2.054
24 HE1 TYR 3 HE1 TYR 3 -2.752 4.434 -3.142
25 HE2 TYR 3 HE2 TYR 3 -0.645 6.885 -0.356
26 HH TYR 3 HH TYR 3 -2.650 4.507 -0.339
27 H LYS 4 H LYS 4 1.015 4.854 -7.495
28 HA LYS 4 HA LYS 4 3.558 5.221 -8.826
29 HB2 LYS 4 2HB LYS 4 0.772 4.621 -9.811
30 HB3 LYS 4 3HB LYS 4 2.118 4.909 -10.906
31 HG2 LYS 4 2HG LYS 4 1.950 2.720 -8.844
32 HG3 LYS 4 3HG LYS 4 1.745 2.533 -10.587
33 HD2 LYS 4 2HD LYS 4 4.114 3.633 -10.689
34 HD3 LYS 4 3HD LYS 4 4.224 3.090 -9.013
35 HE2 LYS 4 2HE LYS 4 3.431 0.811 -9.972
36 HE3 LYS 4 3HE LYS 4 3.963 1.472 -11.518
37 HZ1 LYS 4 1HZ LYS 4 5.959 1.925 -9.595
38 HZ2 LYS 4 2HZ LYS 4 6.039 0.976 -10.992
39 HZ3 LYS 4 3HZ LYS 4 5.522 0.292 -9.534
40 H GLY 5 H GLY 5 4.292 7.253 -8.966
41 HA2 GLY 5 2HA GLY 5 2.460 9.275 -10.082
42 HA3 GLY 5 3HA GLY 5 3.464 9.659 -8.692
43 H GLU 6 H GLU 6 3.494 11.045 -11.171
44 HA GLU 6 HA GLU 6 6.123 10.286 -12.256
45 HB2 GLU 6 2HB GLU 6 5.397 11.887 -14.149
46 HB3 GLU 6 3HB GLU 6 4.656 10.295 -14.068
47 HG2 GLU 6 2HG GLU 6 2.688 11.238 -13.009
48 HG3 GLU 6 3HG GLU 6 3.432 12.836 -13.019
49 H CYS 7 H CYS 7 7.428 12.199 -13.053
50 HA CYS 7 HA CYS 7 7.207 14.430 -11.139
51 HB2 CYS 7 2HB CYS 7 9.349 14.173 -10.507
52 HB3 CYS 7 3HB CYS 7 9.251 12.581 -11.252
53 H PHE 8 H PHE 8 8.311 16.437 -11.881
54 HA PHE 8 HA PHE 8 7.818 16.821 -14.752
55 HB2 PHE 8 2HB PHE 8 7.695 18.680 -12.391
56 HB3 PHE 8 3HB PHE 8 7.823 19.305 -14.032
57 HD1 PHE 8 HD1 PHE 8 5.846 19.996 -14.941
58 HD2 PHE 8 HD2 PHE 8 5.831 16.675 -12.279
59 HE1 PHE 8 HE1 PHE 8 3.408 19.797 -15.209
60 HE2 PHE 8 HE2 PHE 8 3.393 16.470 -12.543
61 HZ PHE 8 HZ PHE 8 2.179 18.032 -14.009
62 H THR 9 H THR 9 9.177 18.769 -15.624
63 HA THR 9 HA THR 9 11.790 17.977 -15.926
64 HB THR 9 HB THR 9 11.802 20.812 -16.119
65 HG1 THR 9 HG1 THR 9 9.835 21.309 -16.719
66 HG21 THR 9 1HG2 THR 9 11.221 19.046 -18.455
67 HG22 THR 9 2HG2 THR 9 12.745 18.847 -17.590
68 HG23 THR 9 3HG2 THR 9 12.341 20.401 -18.320
69 H LYS 10 H LYS 10 13.612 19.831 -15.417
70 HA LYS 10 HA LYS 10 14.396 19.410 -12.797
71 HB2 LYS 10 2HB LYS 10 15.504 20.605 -15.018
72 HB3 LYS 10 3HB LYS 10 15.350 21.951 -13.897
73 HG2 LYS 10 2HG LYS 10 17.338 21.270 -13.142
74 HG3 LYS 10 3HG LYS 10 16.409 20.036 -12.287
75 HD2 LYS 10 2HD LYS 10 17.570 18.492 -13.391
76 HD3 LYS 10 3HD LYS 10 16.792 19.040 -14.878
77 HE2 LYS 10 2HE LYS 10 18.674 20.888 -14.761
78 HE3 LYS 10 3HE LYS 10 19.495 19.662 -13.798
79 HZ1 LYS 10 1HZ LYS 10 18.926 19.707 -16.635
80 HZ2 LYS 10 2HZ LYS 10 18.647 18.219 -15.882
81 HZ3 LYS 10 3HZ LYS 10 20.176 18.938 -15.793
82 H ASP 11 H ASP 11 11.813 21.203 -13.761
83 HA ASP 11 HA ASP 11 11.971 23.469 -12.065
84 HB2 ASP 11 2HB ASP 11 9.903 22.158 -13.714
85 HB3 ASP 11 3HB ASP 11 9.294 23.082 -12.343
86 H ASN 12 H ASN 12 11.830 20.274 -11.279
87 HA ASN 12 HA ASN 12 11.390 19.117 -9.371
88 HB2 ASN 12 2HB ASN 12 11.885 21.880 -8.479
89 HB3 ASN 12 3HB ASN 12 10.976 20.895 -7.337
90 HD21 ASN 12 1HD2 ASN 12 12.056 18.432 -7.686
91 HD22 ASN 12 2HD2 ASN 12 13.723 18.445 -7.230
92 H THR 13 H THR 13 9.435 18.209 -9.868
93 HA THR 13 HA THR 13 7.177 19.071 -8.356
94 HB THR 13 HB THR 13 6.220 18.943 -11.092
95 HG1 THR 13 HG1 THR 13 7.077 21.257 -11.364
96 HG21 THR 13 1HG2 THR 13 5.946 20.778 -8.736
97 HG22 THR 13 2HG2 THR 13 4.726 19.762 -9.504
98 HG23 THR 13 3HG2 THR 13 5.286 21.227 -10.309
99 H CYS 14 H CYS 14 5.427 17.557 -8.416
100 HA CYS 14 HA CYS 14 5.805 15.119 -9.959
101 HB2 CYS 14 2HB CYS 14 6.158 15.320 -7.006
102 HB3 CYS 14 3HB CYS 14 5.337 13.897 -7.640
103 H LYS 15 H LYS 15 3.928 13.983 -10.311
104 HA LYS 15 HA LYS 15 1.485 15.027 -9.044
105 HB2 LYS 15 2HB LYS 15 1.559 15.982 -11.252
106 HB3 LYS 15 3HB LYS 15 1.934 14.420 -11.969
107 HG2 LYS 15 2HG LYS 15 -0.360 14.931 -12.398
108 HG3 LYS 15 3HG LYS 15 -0.289 13.604 -11.235
109 HD2 LYS 15 2HD LYS 15 -1.792 14.867 -10.118
110 HD3 LYS 15 3HD LYS 15 -0.347 15.710 -9.552
111 HE2 LYS 15 2HE LYS 15 -0.615 17.426 -11.175
112 HE3 LYS 15 3HE LYS 15 -1.861 16.515 -12.027
113 HZ1 LYS 15 1HZ LYS 15 -2.243 17.340 -9.220
114 HZ2 LYS 15 2HZ LYS 15 -3.411 16.940 -10.376
115 HZ3 LYS 15 3HZ LYS 15 -2.579 18.409 -10.488
116 H TYR 16 H TYR 16 0.705 13.426 -7.841
117 HA TYR 16 HA TYR 16 0.768 10.691 -8.938
118 HB2 TYR 16 2HB TYR 16 0.912 9.830 -6.719
119 HB3 TYR 16 3HB TYR 16 2.111 11.112 -6.839
120 HD1 TYR 16 HD1 TYR 16 -0.534 9.810 -4.911
121 HD2 TYR 16 HD2 TYR 16 1.302 13.479 -6.039
122 HE1 TYR 16 HE1 TYR 16 -1.513 10.900 -2.935
123 HE2 TYR 16 HE2 TYR 16 0.329 14.579 -4.066
124 HH TYR 16 HH TYR 16 -1.839 12.832 -1.870
125 H LYS 17 H LYS 17 -1.061 9.371 -8.652
126 HA LYS 17 HA LYS 17 -3.542 10.859 -8.088
127 HB2 LYS 17 2HB LYS 17 -3.436 10.249 -10.420
128 HB3 LYS 17 3HB LYS 17 -3.036 8.585 -10.013
129 HG2 LYS 17 2HG LYS 17 -5.233 8.254 -9.058
130 HG3 LYS 17 3HG LYS 17 -5.640 9.946 -9.352
131 HD2 LYS 17 2HD LYS 17 -6.186 9.532 -11.476
132 HD3 LYS 17 3HD LYS 17 -4.696 8.628 -11.756
133 HE2 LYS 17 2HE LYS 17 -6.248 6.975 -12.075
134 HE3 LYS 17 3HE LYS 17 -5.936 6.785 -10.351
135 HZ1 LYS 17 1HZ LYS 17 -8.118 8.523 -11.314
136 HZ2 LYS 17 2HZ LYS 17 -7.933 7.797 -9.798
137 HZ3 LYS 17 3HZ LYS 17 -8.350 6.856 -11.140
138 H ILE 18 H ILE 18 -5.001 10.016 -6.685
139 HA ILE 18 HA ILE 18 -4.405 7.367 -5.540
140 HB ILE 18 HB ILE 18 -5.406 9.753 -3.983
141 HG12 ILE 18 2HG1 ILE 18 -3.063 10.046 -4.671
142 HG13 ILE 18 3HG1 ILE 18 -3.191 9.784 -2.935
143 HG21 ILE 18 1HG2 ILE 18 -4.645 8.137 -2.079
144 HG22 ILE 18 2HG2 ILE 18 -6.223 7.932 -2.839
145 HG23 ILE 18 3HG2 ILE 18 -4.876 6.896 -3.310
146 HD11 ILE 18 1HD1 ILE 18 -1.784 8.255 -4.941
147 HD12 ILE 18 2HD1 ILE 18 -1.623 8.239 -3.185
148 HD13 ILE 18 3HD1 ILE 18 -2.852 7.245 -3.967
149 H ASP 19 H ASP 19 -6.169 6.130 -4.863
150 HA ASP 19 HA ASP 19 -8.448 6.166 -6.401
151 HB2 ASP 19 2HB ASP 19 -7.682 4.876 -3.842
152 HB3 ASP 19 3HB ASP 19 -9.403 4.918 -4.214
153 H GLY 20 H GLY 20 -10.064 7.566 -6.548
154 HA2 GLY 20 2HA GLY 20 -11.996 8.576 -5.494
155 HA3 GLY 20 3HA GLY 20 -10.995 8.893 -4.084
156 H LYS 21 H LYS 21 -9.182 10.437 -4.401
157 HA LYS 21 HA LYS 21 -9.835 12.468 -6.432
158 HB2 LYS 21 2HB LYS 21 -9.295 12.811 -3.495
159 HB3 LYS 21 3HB LYS 21 -8.986 14.122 -4.626
160 HG2 LYS 21 2HG LYS 21 -11.640 12.749 -4.256
161 HG3 LYS 21 3HG LYS 21 -11.182 14.296 -3.540
162 HD2 LYS 21 2HD LYS 21 -11.356 13.683 -6.490
163 HD3 LYS 21 3HD LYS 21 -12.517 14.628 -5.554
164 HE2 LYS 21 2HE LYS 21 -10.200 15.912 -4.967
165 HE3 LYS 21 3HE LYS 21 -9.879 15.375 -6.615
166 HZ1 LYS 21 1HZ LYS 21 -12.469 16.407 -6.543
167 HZ2 LYS 21 2HZ LYS 21 -11.120 17.037 -7.344
168 HZ3 LYS 21 3HZ LYS 21 -11.467 17.524 -5.761
169 H THR 22 H THR 22 -8.099 13.679 -7.250
170 HA THR 22 HA THR 22 -5.494 12.368 -6.918
171 HB THR 22 HB THR 22 -6.485 14.188 -9.121
172 HG1 THR 22 HG1 THR 22 -7.334 12.297 -9.654
173 HG21 THR 22 1HG2 THR 22 -3.813 12.967 -8.549
174 HG22 THR 22 2HG2 THR 22 -4.204 14.587 -9.127
175 HG23 THR 22 3HG2 THR 22 -4.330 13.207 -10.218
176 H TYR 23 H TYR 23 -3.670 13.481 -6.348
177 HA TYR 23 HA TYR 23 -3.943 16.354 -5.795
178 HB2 TYR 23 2HB TYR 23 -2.398 14.625 -3.901
179 HB3 TYR 23 3HB TYR 23 -3.158 16.187 -3.618
180 HD1 TYR 23 HD1 TYR 23 -5.388 16.338 -2.819
181 HD2 TYR 23 HD2 TYR 23 -3.821 12.572 -4.032
182 HE1 TYR 23 HE1 TYR 23 -7.338 15.215 -1.829
183 HE2 TYR 23 HE2 TYR 23 -5.768 11.439 -3.045
184 HH TYR 23 HH TYR 23 -7.462 11.922 -1.244
185 H LEU 24 H LEU 24 -1.742 17.347 -5.317
186 HA LEU 24 HA LEU 24 0.205 16.228 -7.216
187 HB2 LEU 24 2HB LEU 24 -0.761 18.492 -7.671
188 HB3 LEU 24 3HB LEU 24 0.028 19.058 -6.201
189 HG LEU 24 HG LEU 24 2.204 18.229 -7.337
190 HD11 LEU 24 1HD1 LEU 24 0.419 18.559 -9.744
191 HD12 LEU 24 2HD1 LEU 24 1.099 17.037 -9.169
192 HD13 LEU 24 3HD1 LEU 24 2.165 18.309 -9.765
193 HD21 LEU 24 1HD2 LEU 24 0.673 20.672 -8.211
194 HD22 LEU 24 2HD2 LEU 24 2.380 20.403 -8.564
195 HD23 LEU 24 3HD2 LEU 24 1.837 20.543 -6.892
196 H ALA 25 H ALA 25 2.418 16.202 -6.691
197 HA ALA 25 HA ALA 25 3.044 16.575 -3.838
198 HB1 ALA 25 1HB ALA 25 4.709 14.528 -4.657
199 HB2 ALA 25 2HB ALA 25 3.261 14.365 -3.663
200 HB3 ALA 25 3HB ALA 25 3.161 14.138 -5.409
201 H LYS 26 H LYS 26 5.206 17.132 -3.353
202 HA LYS 26 HA LYS 26 6.671 18.263 -5.643
203 HB2 LYS 26 2HB LYS 26 5.735 19.658 -3.568
204 HB3 LYS 26 3HB LYS 26 7.263 19.146 -2.864
205 HG2 LYS 26 2HG LYS 26 7.130 20.468 -5.552
206 HG3 LYS 26 3HG LYS 26 7.201 21.397 -4.053
207 HD2 LYS 26 2HD LYS 26 9.198 19.402 -3.896
208 HD3 LYS 26 3HD LYS 26 9.326 20.144 -5.493
209 HE2 LYS 26 2HE LYS 26 9.826 22.217 -4.636
210 HE3 LYS 26 3HE LYS 26 9.005 21.902 -3.108
211 HZ1 LYS 26 1HZ LYS 26 11.067 21.614 -2.333
212 HZ2 LYS 26 2HZ LYS 26 11.739 21.385 -3.868
213 HZ3 LYS 26 3HZ LYS 26 10.994 20.093 -3.070
214 H CYS 27 H CYS 27 8.856 17.897 -5.865
215 HA CYS 27 HA CYS 27 9.972 15.806 -4.117
216 HB2 CYS 27 2HB CYS 27 10.245 16.346 -7.052
217 HB3 CYS 27 3HB CYS 27 11.540 15.511 -6.199
218 HA PRO 28 HA PRO 28 13.252 18.437 -2.863
219 HB2 PRO 28 2HB PRO 28 15.331 16.699 -2.714
220 HB3 PRO 28 3HB PRO 28 13.998 16.703 -1.553
221 HG2 PRO 28 2HG PRO 28 14.440 14.930 -3.924
222 HG3 PRO 28 3HG PRO 28 13.881 14.503 -2.296
223 HD2 PRO 28 2HD PRO 28 12.188 14.786 -4.390
224 HD3 PRO 28 3HD PRO 28 11.720 15.181 -2.724
225 H SER 29 H SER 29 15.217 19.450 -3.517
226 HA SER 29 HA SER 29 15.577 19.444 -6.394
227 HB2 SER 29 2HB SER 29 17.390 21.256 -5.490
228 HB3 SER 29 3HB SER 29 15.696 21.635 -5.803
229 HG SER 29 HG SER 29 16.341 22.320 -3.725
230 H ALA 30 H ALA 30 16.684 17.455 -4.167
231 HA ALA 30 HA ALA 30 19.428 17.414 -4.168
232 HB1 ALA 30 1HB ALA 30 18.865 15.668 -2.908
233 HB2 ALA 30 2HB ALA 30 17.314 15.481 -3.727
234 HB3 ALA 30 3HB ALA 30 18.763 14.739 -4.404
235 H ALA 31 H ALA 31 21.033 16.740 -5.522
236 HA ALA 31 HA ALA 31 20.650 16.902 -8.287
237 HB1 ALA 31 1HB ALA 31 22.831 16.710 -6.544
238 HB2 ALA 31 2HB ALA 31 22.994 15.358 -7.666
239 HB3 ALA 31 3HB ALA 31 22.868 17.006 -8.282
240 H ASN 32 H ASN 32 20.978 14.075 -6.172
241 HA ASN 32 HA ASN 32 20.655 12.243 -8.389
242 HB2 ASN 32 2HB ASN 32 21.975 11.992 -6.062
243 HB3 ASN 32 3HB ASN 32 20.439 11.272 -5.590
244 HD21 ASN 32 1HD2 ASN 32 22.510 11.212 -8.476
245 HD22 ASN 32 2HD2 ASN 32 22.525 9.491 -8.634
246 H THR 33 H THR 33 18.606 14.050 -6.465
247 HA THR 33 HA THR 33 16.378 12.168 -6.896
248 HB THR 33 HB THR 33 16.091 14.403 -4.948
249 HG1 THR 33 HG1 THR 33 17.070 13.054 -3.333
250 HG21 THR 33 1HG2 THR 33 15.227 11.518 -4.790
251 HG22 THR 33 2HG2 THR 33 14.264 12.783 -5.554
252 HG23 THR 33 3HG2 THR 33 14.635 12.875 -3.833
253 H LYS 34 H LYS 34 17.631 14.446 -8.550
254 HA LYS 34 HA LYS 34 15.308 16.204 -8.817
255 HB2 LYS 34 2HB LYS 34 18.172 16.378 -9.506
256 HB3 LYS 34 3HB LYS 34 17.077 17.099 -10.678
257 HG2 LYS 34 2HG LYS 34 16.320 17.886 -8.028
258 HG3 LYS 34 3HG LYS 34 18.031 18.224 -8.298
259 HD2 LYS 34 2HD LYS 34 16.262 18.944 -10.531
260 HD3 LYS 34 3HD LYS 34 15.993 19.861 -9.046
261 HE2 LYS 34 2HE LYS 34 18.715 19.484 -10.274
262 HE3 LYS 34 3HE LYS 34 17.661 20.838 -10.679
263 HZ1 LYS 34 1HZ LYS 34 17.621 21.018 -8.049
264 HZ2 LYS 34 2HZ LYS 34 18.803 21.779 -8.990
265 HZ3 LYS 34 3HZ LYS 34 19.146 20.308 -8.228
266 H CYS 35 H CYS 35 14.988 16.867 -11.274
267 HA CYS 35 HA CYS 35 14.789 14.379 -12.841
268 HB2 CYS 35 2HB CYS 35 12.766 16.614 -12.602
269 HB3 CYS 35 3HB CYS 35 12.667 15.317 -13.788
270 H GLU 36 H GLU 36 15.616 14.446 -14.833
271 HA GLU 36 HA GLU 36 16.737 16.958 -15.781
272 HB2 GLU 36 2HB GLU 36 18.174 15.711 -17.075
273 HB3 GLU 36 3HB GLU 36 17.866 14.585 -15.761
274 HG2 GLU 36 2HG GLU 36 16.558 14.573 -18.470
275 HG3 GLU 36 3HG GLU 36 17.776 13.442 -17.882
276 H LYS 37 H LYS 37 14.045 14.915 -16.375
277 HA LYS 37 HA LYS 37 13.123 16.711 -18.465
278 HB2 LYS 37 2HB LYS 37 14.401 14.671 -19.457
279 HB3 LYS 37 3HB LYS 37 12.962 13.764 -19.010
280 HG2 LYS 37 2HG LYS 37 11.722 15.653 -20.321
281 HG3 LYS 37 3HG LYS 37 13.302 15.887 -21.071
282 HD2 LYS 37 2HD LYS 37 13.166 13.257 -21.331
283 HD3 LYS 37 3HD LYS 37 11.433 13.577 -21.243
284 HE2 LYS 37 2HE LYS 37 11.812 15.319 -23.049
285 HE3 LYS 37 3HE LYS 37 13.422 14.626 -23.242
286 HZ1 LYS 37 1HZ LYS 37 11.415 12.609 -23.255
287 HZ2 LYS 37 2HZ LYS 37 12.594 12.954 -24.417
288 HZ3 LYS 37 3HZ LYS 37 11.112 13.768 -24.450
289 H ASP 38 H ASP 38 10.892 16.800 -18.658
290 HA ASP 38 HA ASP 38 9.402 16.063 -16.367
291 HB2 ASP 38 2HB ASP 38 8.968 18.018 -17.955
292 HB3 ASP 38 3HB ASP 38 8.216 16.842 -19.028
293 H GLY 39 H GLY 39 7.810 14.511 -16.076
294 HA2 GLY 39 2HA GLY 39 6.421 12.717 -16.773
295 HA3 GLY 39 3HA GLY 39 7.407 12.551 -18.219
296 H ASN 40 H ASN 40 9.625 12.906 -15.903
297 HA ASN 40 HA ASN 40 10.544 10.282 -15.966
298 HB2 ASN 40 2HB ASN 40 11.388 12.724 -14.839
299 HB3 ASN 40 3HB ASN 40 11.354 11.563 -13.515
300 HD21 ASN 40 1HD2 ASN 40 12.524 12.018 -16.815
301 HD22 ASN 40 2HD2 ASN 40 13.950 11.060 -16.629
302 H LYS 41 H LYS 41 11.035 9.164 -13.676
303 HA LYS 41 HA LYS 41 8.440 8.313 -12.730
304 HB2 LYS 41 2HB LYS 41 11.008 7.145 -12.955
305 HB3 LYS 41 3HB LYS 41 10.602 7.151 -11.244
306 HG2 LYS 41 2HG LYS 41 8.934 5.975 -13.459
307 HG3 LYS 41 3HG LYS 41 9.908 5.078 -12.291
308 HD2 LYS 41 2HD LYS 41 8.421 6.497 -10.587
309 HD3 LYS 41 3HD LYS 41 7.298 6.443 -11.948
310 HE2 LYS 41 2HE LYS 41 6.759 4.341 -11.472
311 HE3 LYS 41 3HE LYS 41 8.451 3.852 -11.547
312 HZ1 LYS 41 1HZ LYS 41 7.063 3.617 -9.354
313 HZ2 LYS 41 2HZ LYS 41 7.518 5.232 -9.140
314 HZ3 LYS 41 3HZ LYS 41 8.702 4.035 -9.306
315 H CYS 42 H CYS 42 7.761 8.326 -10.551
316 HA CYS 42 HA CYS 42 9.261 10.004 -8.688
317 HB2 CYS 42 2HB CYS 42 7.566 11.394 -10.010
318 HB3 CYS 42 3HB CYS 42 6.323 10.495 -9.146
319 H THR 43 H THR 43 8.500 9.827 -6.472
320 HA THR 43 HA THR 43 6.830 7.466 -5.952
321 HB THR 43 HB THR 43 8.968 7.726 -4.000
322 HG1 THR 43 HG1 THR 43 9.665 7.206 -6.716
323 HG21 THR 43 1HG2 THR 43 9.009 5.396 -4.132
324 HG22 THR 43 2HG2 THR 43 8.459 5.386 -5.808
325 HG23 THR 43 3HG2 THR 43 7.334 5.794 -4.513
326 H TYR 44 H TYR 44 5.627 7.527 -4.067
327 HA TYR 44 HA TYR 44 5.862 9.923 -2.390
328 HB2 TYR 44 2HB TYR 44 4.114 10.537 -3.878
329 HB3 TYR 44 3HB TYR 44 3.375 8.943 -3.786
330 HD1 TYR 44 HD1 TYR 44 4.572 11.084 -0.991
331 HD2 TYR 44 HD2 TYR 44 1.219 9.398 -2.996
332 HE1 TYR 44 HE1 TYR 44 3.101 11.876 0.814
333 HE2 TYR 44 HE2 TYR 44 -0.261 10.187 -1.197
334 HH TYR 44 HH TYR 44 0.295 12.447 0.784
335 H ASP 45 H ASP 45 6.144 9.271 -0.373
336 HA ASP 45 HA ASP 45 5.043 6.689 0.471
337 HB2 ASP 45 2HB ASP 45 7.513 7.270 0.761
338 HB3 ASP 45 3HB ASP 45 6.994 8.393 2.015
339 H SER 46 H SER 46 3.116 6.775 1.406
340 HA SER 46 HA SER 46 2.107 9.174 2.615
341 HB2 SER 46 2HB SER 46 0.066 8.170 2.507
342 HB3 SER 46 3HB SER 46 0.900 7.078 1.401
343 HG SER 46 HG SER 46 0.238 5.623 2.777
344 H TYR 47 H TYR 47 3.931 6.518 3.696
345 HA TYR 47 HA TYR 47 3.029 6.410 6.392
346 HB2 TYR 47 2HB TYR 47 4.326 4.610 5.173
347 HB3 TYR 47 3HB TYR 47 5.759 5.612 5.376
348 HD1 TYR 47 HD1 TYR 47 3.287 3.515 7.091
349 HD2 TYR 47 HD2 TYR 47 6.804 5.866 7.545
350 HE1 TYR 47 HE1 TYR 47 3.649 2.533 9.317
351 HE2 TYR 47 HE2 TYR 47 7.176 4.890 9.771
352 HH TYR 47 HH TYR 47 5.706 3.808 11.575
353 H ASN 48 H ASN 48 5.696 8.079 4.765
354 HA ASN 48 HA ASN 48 6.201 9.577 7.247
355 HB2 ASN 48 2HB ASN 48 8.249 10.117 5.383
356 HB3 ASN 48 3HB ASN 48 8.361 9.153 6.852
357 HD21 ASN 48 1HD2 ASN 48 8.762 9.138 3.573
358 HD22 ASN 48 2HD2 ASN 48 8.749 7.432 3.298
359 H ARG 49 H ARG 49 4.523 9.848 4.468
360 HA ARG 49 HA ARG 49 3.644 11.571 3.271
361 HB2 ARG 49 2HB ARG 49 4.567 13.404 5.475
362 HB3 ARG 49 3HB ARG 49 3.168 13.582 4.425
363 HG2 ARG 49 2HG ARG 49 2.429 11.336 5.564
364 HG3 ARG 49 3HG ARG 49 3.531 11.876 6.831
365 HD2 ARG 49 2HD ARG 49 1.436 13.705 5.711
366 HD3 ARG 49 3HD ARG 49 1.047 12.547 6.983
367 HE ARG 49 HE ARG 49 3.334 14.171 7.586
368 HH11 ARG 49 1HH1 ARG 49 -0.142 14.000 7.672
369 HH12 ARG 49 2HH1 ARG 49 -0.296 15.138 8.969
370 HH21 ARG 49 1HH2 ARG 49 3.144 15.671 9.294
371 HH22 ARG 49 2HH2 ARG 49 1.574 16.089 9.890
372 H LYS 50 H LYS 50 6.510 10.879 2.997
373 HA LYS 50 HA LYS 50 7.546 13.456 2.018
374 HB2 LYS 50 2HB LYS 50 9.134 12.662 3.530
375 HB3 LYS 50 3HB LYS 50 8.895 10.986 3.053
376 HG2 LYS 50 2HG LYS 50 10.371 11.116 1.357
377 HG3 LYS 50 3HG LYS 50 9.931 12.778 0.958
378 HD2 LYS 50 2HD LYS 50 11.977 13.215 1.824
379 HD3 LYS 50 3HD LYS 50 11.088 13.178 3.349
380 HE2 LYS 50 2HE LYS 50 12.314 11.464 4.048
381 HE3 LYS 50 3HE LYS 50 11.822 10.514 2.647
382 HZ1 LYS 50 1HZ LYS 50 13.971 12.520 2.417
383 HZ2 LYS 50 2HZ LYS 50 13.678 11.162 1.454
384 HZ3 LYS 50 3HZ LYS 50 14.304 10.973 3.014
385 H VAL 51 H VAL 51 8.059 13.707 -0.094
386 HA VAL 51 HA VAL 51 7.459 11.443 -1.874
387 HB VAL 51 HB VAL 51 7.527 14.386 -2.556
388 HG11 VAL 51 1HG1 VAL 51 6.670 13.803 -4.673
389 HG12 VAL 51 2HG1 VAL 51 8.002 12.684 -4.380
390 HG13 VAL 51 3HG1 VAL 51 6.335 12.146 -4.170
391 HG21 VAL 51 1HG2 VAL 51 5.112 12.616 -2.208
392 HG22 VAL 51 2HG2 VAL 51 5.708 13.725 -0.973
393 HG23 VAL 51 3HG2 VAL 51 5.135 14.352 -2.519
394 H LYS 52 H LYS 52 9.123 10.469 -2.799
395 HA LYS 52 HA LYS 52 11.601 12.007 -3.227
396 HB2 LYS 52 2HB LYS 52 11.777 10.166 -1.557
397 HB3 LYS 52 3HB LYS 52 11.337 9.023 -2.820
398 HG2 LYS 52 2HG LYS 52 13.379 10.081 -4.068
399 HG3 LYS 52 3HG LYS 52 13.865 10.546 -2.436
400 HD2 LYS 52 2HD LYS 52 14.422 8.445 -1.887
401 HD3 LYS 52 3HD LYS 52 12.978 7.770 -2.646
402 HE2 LYS 52 2HE LYS 52 14.096 7.217 -4.497
403 HE3 LYS 52 3HE LYS 52 14.870 8.798 -4.593
404 HZ1 LYS 52 1HZ LYS 52 16.185 7.711 -2.547
405 HZ2 LYS 52 2HZ LYS 52 16.706 7.607 -4.152
406 HZ3 LYS 52 3HZ LYS 52 15.857 6.321 -3.454
407 H CYS 53 H CYS 53 12.576 11.948 -5.203
408 HA CYS 53 HA CYS 53 11.143 10.483 -7.322
409 HB2 CYS 53 2HB CYS 53 12.435 13.197 -7.302
410 HB3 CYS 53 3HB CYS 53 12.207 12.322 -8.813
411 H ASP 54 H ASP 54 12.298 9.300 -8.786
412 HA ASP 54 HA ASP 54 15.219 9.354 -8.649
413 HB2 ASP 54 2HB ASP 54 14.911 7.583 -7.169
414 HB3 ASP 54 3HB ASP 54 13.469 7.008 -8.001
415 H PHE 55 H PHE 55 16.264 8.577 -10.508
416 HA PHE 55 HA PHE 55 14.896 9.016 -12.931
417 HB2 PHE 55 2HB PHE 55 17.610 8.047 -12.168
418 HB3 PHE 55 3HB PHE 55 17.073 7.768 -13.821
419 HD1 PHE 55 HD1 PHE 55 18.975 9.200 -14.531
420 HD2 PHE 55 HD2 PHE 55 15.770 10.693 -12.162
421 HE1 PHE 55 HE1 PHE 55 19.613 11.501 -15.124
422 HE2 PHE 55 HE2 PHE 55 16.402 12.996 -12.752
423 HZ PHE 55 HZ PHE 55 18.325 13.403 -14.235
424 H ARG 56 H ARG 56 13.460 7.733 -13.865
425 HA ARG 56 HA ARG 56 13.994 4.984 -14.388
426 HB2 ARG 56 2HB ARG 56 12.313 5.702 -12.073
427 HB3 ARG 56 3HB ARG 56 11.615 4.509 -13.159
428 HG2 ARG 56 2HG ARG 56 14.103 3.511 -12.889
429 HG3 ARG 56 3HG ARG 56 13.896 4.290 -11.319
430 HD2 ARG 56 2HD ARG 56 11.555 3.077 -11.417
431 HD3 ARG 56 3HD ARG 56 12.414 2.008 -12.526
432 HE ARG 56 HE ARG 56 13.849 2.455 -10.092
433 HH11 ARG 56 1HH1 ARG 56 11.307 0.595 -11.575
434 HH12 ARG 56 2HH1 ARG 56 11.464 -0.738 -10.479
435 HH21 ARG 56 1HH2 ARG 56 14.065 0.707 -8.643
436 HH22 ARG 56 2HH2 ARG 56 13.033 -0.673 -8.811
437 H HIS 57 H HIS 57 12.561 4.087 -15.901
438 HA HIS 57 HA HIS 57 11.107 4.097 -17.651
439 HB2 HIS 57 2HB HIS 57 9.719 5.363 -15.500
440 HB3 HIS 57 3HB HIS 57 9.307 6.200 -16.994
441 HD1 HIS 57 HD1 HIS 57 7.251 5.272 -17.976
442 HD2 HIS 57 HD2 HIS 57 9.508 2.335 -16.095
443 HE1 HIS 57 HE1 HIS 57 5.967 3.133 -18.292
Start of MODEL 13
1 H1 LEU 1 H LEU 1 4.610 -1.834 -4.909
2 HA LEU 1 HA LEU 1 2.876 -1.237 -2.602
3 HB2 LEU 1 2HB LEU 1 5.884 -1.294 -2.777
4 HB3 LEU 1 3HB LEU 1 4.974 -0.733 -1.375
5 HG LEU 1 HG LEU 1 4.959 -3.543 -2.477
6 HD11 LEU 1 1HD1 LEU 1 6.674 -4.012 -1.147
7 HD12 LEU 1 2HD1 LEU 1 5.922 -3.195 0.222
8 HD13 LEU 1 3HD1 LEU 1 6.889 -2.275 -0.930
9 HD21 LEU 1 1HD2 LEU 1 3.282 -2.129 -0.531
10 HD22 LEU 1 2HD2 LEU 1 3.948 -3.657 0.047
11 HD23 LEU 1 3HD2 LEU 1 2.978 -3.618 -1.426
12 H GLU 2 H GLU 2 3.128 0.923 -1.669
13 HA GLU 2 HA GLU 2 3.112 3.193 -1.816
14 HB2 GLU 2 2HB GLU 2 5.514 2.354 -3.209
15 HB3 GLU 2 3HB GLU 2 4.871 3.844 -3.884
16 HG2 GLU 2 2HG GLU 2 6.454 4.398 -2.190
17 HG3 GLU 2 3HG GLU 2 4.843 4.811 -1.605
18 H TYR 3 H TYR 3 2.754 5.058 -3.412
19 HA TYR 3 HA TYR 3 0.734 4.170 -5.316
20 HB2 TYR 3 2HB TYR 3 1.397 6.801 -4.031
21 HB3 TYR 3 3HB TYR 3 0.376 6.745 -5.463
22 HD1 TYR 3 HD1 TYR 3 0.486 6.430 -1.910
23 HD2 TYR 3 HD2 TYR 3 -1.723 5.274 -5.358
24 HE1 TYR 3 HE1 TYR 3 -1.463 5.943 -0.491
25 HE2 TYR 3 HE2 TYR 3 -3.678 4.786 -3.949
26 HH TYR 3 HH TYR 3 -4.568 5.009 -1.892
27 H LYS 4 H LYS 4 0.758 4.625 -7.493
28 HA LYS 4 HA LYS 4 3.372 5.040 -8.654
29 HB2 LYS 4 2HB LYS 4 0.670 4.480 -9.885
30 HB3 LYS 4 3HB LYS 4 2.153 4.652 -10.815
31 HG2 LYS 4 2HG LYS 4 1.583 2.554 -8.732
32 HG3 LYS 4 3HG LYS 4 1.639 2.317 -10.480
33 HD2 LYS 4 2HD LYS 4 4.064 3.432 -10.057
34 HD3 LYS 4 3HD LYS 4 3.832 2.583 -8.527
35 HE2 LYS 4 2HE LYS 4 3.439 1.267 -11.205
36 HE3 LYS 4 3HE LYS 4 4.992 1.290 -10.372
37 HZ1 LYS 4 1HZ LYS 4 2.631 0.349 -8.911
38 HZ2 LYS 4 2HZ LYS 4 4.250 -0.111 -8.749
39 HZ3 LYS 4 3HZ LYS 4 3.336 -0.682 -10.052
40 H GLY 5 H GLY 5 4.114 7.053 -8.855
41 HA2 GLY 5 2HA GLY 5 2.300 9.073 -10.002
42 HA3 GLY 5 3HA GLY 5 3.286 9.462 -8.601
43 H GLU 6 H GLU 6 3.341 10.822 -11.105
44 HA GLU 6 HA GLU 6 5.995 10.066 -12.130
45 HB2 GLU 6 2HB GLU 6 4.080 11.924 -13.520
46 HB3 GLU 6 3HB GLU 6 5.438 11.041 -14.203
47 HG2 GLU 6 2HG GLU 6 3.887 9.623 -14.941
48 HG3 GLU 6 3HG GLU 6 3.883 9.010 -13.289
49 H CYS 7 H CYS 7 7.326 11.950 -12.902
50 HA CYS 7 HA CYS 7 7.013 14.247 -11.082
51 HB2 CYS 7 2HB CYS 7 9.127 14.038 -10.333
52 HB3 CYS 7 3HB CYS 7 9.034 12.395 -10.958
53 H PHE 8 H PHE 8 8.187 16.216 -11.835
54 HA PHE 8 HA PHE 8 7.834 16.502 -14.736
55 HB2 PHE 8 2HB PHE 8 7.720 18.472 -12.461
56 HB3 PHE 8 3HB PHE 8 7.867 19.001 -14.134
57 HD1 PHE 8 HD1 PHE 8 5.801 16.582 -12.176
58 HD2 PHE 8 HD2 PHE 8 5.918 19.618 -15.157
59 HE1 PHE 8 HE1 PHE 8 3.360 16.416 -12.437
60 HE2 PHE 8 HE2 PHE 8 3.478 19.457 -15.422
61 HZ PHE 8 HZ PHE 8 2.195 17.855 -14.061
62 H THR 9 H THR 9 9.286 18.381 -15.620
63 HA THR 9 HA THR 9 11.874 17.501 -15.823
64 HB THR 9 HB THR 9 11.915 20.365 -16.019
65 HG1 THR 9 HG1 THR 9 10.154 20.358 -17.683
66 HG21 THR 9 1HG2 THR 9 12.890 19.884 -17.989
67 HG22 THR 9 2HG2 THR 9 11.586 18.802 -18.478
68 HG23 THR 9 3HG2 THR 9 12.865 18.217 -17.414
69 H LYS 10 H LYS 10 13.764 19.251 -15.277
70 HA LYS 10 HA LYS 10 14.403 18.861 -12.604
71 HB2 LYS 10 2HB LYS 10 15.640 19.994 -14.852
72 HB3 LYS 10 3HB LYS 10 15.660 21.256 -13.628
73 HG2 LYS 10 2HG LYS 10 17.454 20.290 -12.765
74 HG3 LYS 10 3HG LYS 10 16.431 18.932 -12.292
75 HD2 LYS 10 2HD LYS 10 17.731 17.681 -13.611
76 HD3 LYS 10 3HD LYS 10 16.919 18.465 -14.968
77 HE2 LYS 10 2HE LYS 10 18.672 20.264 -14.835
78 HE3 LYS 10 3HE LYS 10 19.525 19.247 -13.675
79 HZ1 LYS 10 1HZ LYS 10 20.193 19.089 -16.114
80 HZ2 LYS 10 2HZ LYS 10 18.759 18.221 -16.337
81 HZ3 LYS 10 3HZ LYS 10 19.945 17.638 -15.281
82 H ASP 11 H ASP 11 11.979 20.750 -13.714
83 HA ASP 11 HA ASP 11 12.236 23.105 -12.164
84 HB2 ASP 11 2HB ASP 11 10.247 21.897 -13.894
85 HB3 ASP 11 3HB ASP 11 9.499 22.634 -12.480
86 H ASN 12 H ASN 12 11.901 19.974 -11.181
87 HA ASN 12 HA ASN 12 11.430 18.988 -9.186
88 HB2 ASN 12 2HB ASN 12 12.361 21.545 -8.543
89 HB3 ASN 12 3HB ASN 12 10.897 21.348 -7.585
90 HD21 ASN 12 1HD2 ASN 12 13.155 18.849 -8.606
91 HD22 ASN 12 2HD2 ASN 12 13.663 18.404 -7.015
92 H THR 13 H THR 13 9.475 18.089 -9.766
93 HA THR 13 HA THR 13 7.180 19.040 -8.360
94 HB THR 13 HB THR 13 6.304 18.804 -11.112
95 HG1 THR 13 HG1 THR 13 8.484 19.833 -11.292
96 HG21 THR 13 1HG2 THR 13 4.747 19.766 -9.722
97 HG22 THR 13 2HG2 THR 13 5.486 21.213 -10.409
98 HG23 THR 13 3HG2 THR 13 5.959 20.657 -8.803
99 H CYS 14 H CYS 14 5.512 17.506 -8.258
100 HA CYS 14 HA CYS 14 5.844 15.019 -9.747
101 HB2 CYS 14 2HB CYS 14 6.219 15.334 -6.810
102 HB3 CYS 14 3HB CYS 14 5.367 13.900 -7.372
103 H LYS 15 H LYS 15 3.961 13.868 -10.033
104 HA LYS 15 HA LYS 15 1.528 14.962 -8.794
105 HB2 LYS 15 2HB LYS 15 1.559 15.885 -11.002
106 HB3 LYS 15 3HB LYS 15 1.986 14.333 -11.710
107 HG2 LYS 15 2HG LYS 15 -0.330 14.814 -12.142
108 HG3 LYS 15 3HG LYS 15 -0.209 13.447 -11.032
109 HD2 LYS 15 2HD LYS 15 -1.690 14.574 -9.782
110 HD3 LYS 15 3HD LYS 15 -0.316 15.580 -9.319
111 HE2 LYS 15 2HE LYS 15 -1.802 17.184 -10.008
112 HE3 LYS 15 3HE LYS 15 -0.933 16.881 -11.511
113 HZ1 LYS 15 1HZ LYS 15 -3.015 16.663 -12.303
114 HZ2 LYS 15 2HZ LYS 15 -3.681 16.260 -10.801
115 HZ3 LYS 15 3HZ LYS 15 -2.873 15.085 -11.711
116 H TYR 16 H TYR 16 0.747 13.386 -7.558
117 HA TYR 16 HA TYR 16 0.829 10.626 -8.586
118 HB2 TYR 16 2HB TYR 16 0.820 9.853 -6.299
119 HB3 TYR 16 3HB TYR 16 2.111 11.034 -6.488
120 HD1 TYR 16 HD1 TYR 16 1.632 13.438 -5.733
121 HD2 TYR 16 HD2 TYR 16 -0.792 10.120 -4.627
122 HE1 TYR 16 HE1 TYR 16 0.729 14.733 -3.847
123 HE2 TYR 16 HE2 TYR 16 -1.702 11.406 -2.739
124 HH TYR 16 HH TYR 16 -1.886 13.489 -1.848
125 H LYS 17 H LYS 17 -0.996 9.265 -8.148
126 HA LYS 17 HA LYS 17 -3.507 10.778 -7.834
127 HB2 LYS 17 2HB LYS 17 -3.322 9.959 -10.093
128 HB3 LYS 17 3HB LYS 17 -2.912 8.346 -9.524
129 HG2 LYS 17 2HG LYS 17 -5.151 8.129 -8.553
130 HG3 LYS 17 3HG LYS 17 -5.559 9.735 -9.160
131 HD2 LYS 17 2HD LYS 17 -4.639 7.491 -10.944
132 HD3 LYS 17 3HD LYS 17 -6.339 7.785 -10.569
133 HE2 LYS 17 2HE LYS 17 -4.737 10.091 -11.518
134 HE3 LYS 17 3HE LYS 17 -5.122 8.839 -12.698
135 HZ1 LYS 17 1HZ LYS 17 -7.503 9.133 -11.710
136 HZ2 LYS 17 2HZ LYS 17 -6.931 10.197 -12.893
137 HZ3 LYS 17 3HZ LYS 17 -6.923 10.659 -11.266
138 H ILE 18 H ILE 18 -5.003 10.058 -6.405
139 HA ILE 18 HA ILE 18 -4.433 7.531 -5.002
140 HB ILE 18 HB ILE 18 -5.500 10.040 -3.705
141 HG12 ILE 18 2HG1 ILE 18 -3.109 10.219 -4.385
142 HG13 ILE 18 3HG1 ILE 18 -3.339 10.266 -2.641
143 HG21 ILE 18 1HG2 ILE 18 -6.346 8.212 -2.512
144 HG22 ILE 18 2HG2 ILE 18 -4.852 7.293 -2.689
145 HG23 ILE 18 3HG2 ILE 18 -4.905 8.692 -1.616
146 HD11 ILE 18 1HD1 ILE 18 -2.712 7.891 -2.525
147 HD12 ILE 18 2HD1 ILE 18 -2.407 7.911 -4.263
148 HD13 ILE 18 3HD1 ILE 18 -1.432 8.909 -3.184
149 H ASP 19 H ASP 19 -6.211 6.344 -4.275
150 HA ASP 19 HA ASP 19 -8.439 6.223 -5.884
151 HB2 ASP 19 2HB ASP 19 -8.241 5.391 -2.981
152 HB3 ASP 19 3HB ASP 19 -9.477 4.852 -4.114
153 H GLY 20 H GLY 20 -10.052 7.596 -6.209
154 HA2 GLY 20 2HA GLY 20 -12.021 8.687 -5.329
155 HA3 GLY 20 3HA GLY 20 -11.088 9.112 -3.902
156 H LYS 21 H LYS 21 -9.246 10.623 -4.263
157 HA LYS 21 HA LYS 21 -9.814 12.500 -6.461
158 HB2 LYS 21 2HB LYS 21 -9.385 13.060 -3.539
159 HB3 LYS 21 3HB LYS 21 -9.034 14.284 -4.752
160 HG2 LYS 21 2HG LYS 21 -11.701 12.936 -4.385
161 HG3 LYS 21 3HG LYS 21 -11.270 14.529 -3.759
162 HD2 LYS 21 2HD LYS 21 -11.328 13.716 -6.666
163 HD3 LYS 21 3HD LYS 21 -12.527 14.716 -5.843
164 HE2 LYS 21 2HE LYS 21 -9.629 15.376 -6.344
165 HE3 LYS 21 3HE LYS 21 -11.039 16.148 -7.068
166 HZ1 LYS 21 1HZ LYS 21 -10.099 16.322 -4.269
167 HZ2 LYS 21 2HZ LYS 21 -11.668 16.767 -4.713
168 HZ3 LYS 21 3HZ LYS 21 -10.340 17.580 -5.374
169 H THR 22 H THR 22 -8.040 13.661 -7.285
170 HA THR 22 HA THR 22 -5.458 12.365 -6.770
171 HB THR 22 HB THR 22 -6.355 14.051 -9.115
172 HG1 THR 22 HG1 THR 22 -7.243 12.049 -9.333
173 HG21 THR 22 1HG2 THR 22 -4.227 13.392 -10.150
174 HG22 THR 22 2HG2 THR 22 -3.750 12.592 -8.652
175 HG23 THR 22 3HG2 THR 22 -3.968 14.342 -8.687
176 H TYR 23 H TYR 23 -3.650 13.503 -6.198
177 HA TYR 23 HA TYR 23 -3.930 16.404 -5.821
178 HB2 TYR 23 2HB TYR 23 -2.473 14.755 -3.785
179 HB3 TYR 23 3HB TYR 23 -3.186 16.356 -3.615
180 HD1 TYR 23 HD1 TYR 23 -5.413 16.625 -2.861
181 HD2 TYR 23 HD2 TYR 23 -3.979 12.749 -3.875
182 HE1 TYR 23 HE1 TYR 23 -7.428 15.626 -1.867
183 HE2 TYR 23 HE2 TYR 23 -5.992 11.739 -2.884
184 HH TYR 23 HH TYR 23 -8.355 13.680 -1.144
185 H LEU 24 H LEU 24 -1.747 17.424 -5.335
186 HA LEU 24 HA LEU 24 0.238 16.233 -7.142
187 HB2 LEU 24 2HB LEU 24 -0.707 18.926 -6.653
188 HB3 LEU 24 3HB LEU 24 1.049 18.821 -6.539
189 HG LEU 24 HG LEU 24 -0.173 17.557 -8.913
190 HD11 LEU 24 1HD1 LEU 24 -0.562 19.599 -10.079
191 HD12 LEU 24 2HD1 LEU 24 0.008 20.556 -8.713
192 HD13 LEU 24 3HD1 LEU 24 -1.499 19.649 -8.586
193 HD21 LEU 24 1HD2 LEU 24 1.910 17.757 -9.663
194 HD22 LEU 24 2HD2 LEU 24 2.361 18.336 -8.059
195 HD23 LEU 24 3HD2 LEU 24 1.933 19.488 -9.325
196 H ALA 25 H ALA 25 2.440 16.170 -6.566
197 HA ALA 25 HA ALA 25 2.994 16.511 -3.693
198 HB1 ALA 25 1HB ALA 25 3.476 14.151 -5.442
199 HB2 ALA 25 2HB ALA 25 4.629 14.504 -4.155
200 HB3 ALA 25 3HB ALA 25 2.932 14.224 -3.765
201 H LYS 26 H LYS 26 5.143 17.055 -3.138
202 HA LYS 26 HA LYS 26 6.667 18.235 -5.364
203 HB2 LYS 26 2HB LYS 26 5.984 19.963 -3.885
204 HB3 LYS 26 3HB LYS 26 6.420 19.022 -2.465
205 HG2 LYS 26 2HG LYS 26 8.007 20.830 -2.895
206 HG3 LYS 26 3HG LYS 26 8.771 19.242 -3.002
207 HD2 LYS 26 2HD LYS 26 9.398 19.626 -5.103
208 HD3 LYS 26 3HD LYS 26 7.746 20.033 -5.571
209 HE2 LYS 26 2HE LYS 26 9.074 21.939 -6.043
210 HE3 LYS 26 3HE LYS 26 8.150 22.316 -4.590
211 HZ1 LYS 26 1HZ LYS 26 10.896 22.434 -4.916
212 HZ2 LYS 26 2HZ LYS 26 10.612 21.121 -3.888
213 HZ3 LYS 26 3HZ LYS 26 10.023 22.654 -3.484
214 H CYS 27 H CYS 27 8.841 17.844 -5.567
215 HA CYS 27 HA CYS 27 9.923 15.726 -3.828
216 HB2 CYS 27 2HB CYS 27 10.227 16.293 -6.754
217 HB3 CYS 27 3HB CYS 27 11.516 15.453 -5.898
218 HA PRO 28 HA PRO 28 13.241 18.283 -2.527
219 HB2 PRO 28 2HB PRO 28 15.334 16.554 -2.500
220 HB3 PRO 28 3HB PRO 28 14.021 16.492 -1.318
221 HG2 PRO 28 2HG PRO 28 14.432 14.841 -3.781
222 HG3 PRO 28 3HG PRO 28 13.905 14.330 -2.167
223 HD2 PRO 28 2HD PRO 28 12.173 14.704 -4.214
224 HD3 PRO 28 3HD PRO 28 11.733 15.013 -2.522
225 H SER 29 H SER 29 15.229 19.304 -3.151
226 HA SER 29 HA SER 29 15.519 19.470 -6.032
227 HB2 SER 29 2HB SER 29 17.303 21.258 -5.198
228 HB3 SER 29 3HB SER 29 15.576 21.614 -5.198
229 HG SER 29 HG SER 29 17.174 21.724 -3.155
230 H ALA 30 H ALA 30 16.720 17.432 -3.834
231 HA ALA 30 HA ALA 30 19.464 17.394 -4.021
232 HB1 ALA 30 1HB ALA 30 18.877 14.731 -4.098
233 HB2 ALA 30 2HB ALA 30 18.904 15.723 -2.640
234 HB3 ALA 30 3HB ALA 30 17.378 15.419 -3.470
235 H ALA 31 H ALA 31 20.953 16.816 -5.511
236 HA ALA 31 HA ALA 31 20.287 16.796 -8.238
237 HB1 ALA 31 1HB ALA 31 22.485 17.020 -8.532
238 HB2 ALA 31 2HB ALA 31 22.610 17.035 -6.772
239 HB3 ALA 31 3HB ALA 31 22.836 15.528 -7.659
240 H ASN 32 H ASN 32 20.879 14.186 -5.950
241 HA ASN 32 HA ASN 32 20.745 12.148 -7.995
242 HB2 ASN 32 2HB ASN 32 22.029 12.168 -5.666
243 HB3 ASN 32 3HB ASN 32 20.512 11.478 -5.098
244 HD21 ASN 32 1HD2 ASN 32 23.490 10.763 -6.277
245 HD22 ASN 32 2HD2 ASN 32 23.189 9.170 -6.876
246 H THR 33 H THR 33 18.527 13.927 -6.179
247 HA THR 33 HA THR 33 16.430 11.906 -6.637
248 HB THR 33 HB THR 33 16.079 14.132 -4.662
249 HG1 THR 33 HG1 THR 33 17.220 11.611 -3.998
250 HG21 THR 33 1HG2 THR 33 14.143 12.770 -5.252
251 HG22 THR 33 2HG2 THR 33 14.617 12.476 -3.579
252 HG23 THR 33 3HG2 THR 33 15.028 11.305 -4.832
253 H LYS 34 H LYS 34 17.573 14.258 -8.266
254 HA LYS 34 HA LYS 34 15.156 15.874 -8.577
255 HB2 LYS 34 2HB LYS 34 18.016 16.214 -9.221
256 HB3 LYS 34 3HB LYS 34 16.899 16.871 -10.410
257 HG2 LYS 34 2HG LYS 34 16.066 17.608 -7.765
258 HG3 LYS 34 3HG LYS 34 17.754 18.054 -8.025
259 HD2 LYS 34 2HD LYS 34 15.962 18.658 -10.272
260 HD3 LYS 34 3HD LYS 34 15.617 19.554 -8.791
261 HE2 LYS 34 2HE LYS 34 18.307 19.787 -8.897
262 HE3 LYS 34 3HE LYS 34 17.925 19.715 -10.616
263 HZ1 LYS 34 1HZ LYS 34 17.863 21.973 -10.019
264 HZ2 LYS 34 2HZ LYS 34 16.957 21.678 -8.622
265 HZ3 LYS 34 3HZ LYS 34 16.242 21.504 -10.145
266 H CYS 35 H CYS 35 14.772 16.499 -11.008
267 HA CYS 35 HA CYS 35 14.702 13.989 -12.553
268 HB2 CYS 35 2HB CYS 35 12.685 16.242 -12.487
269 HB3 CYS 35 3HB CYS 35 12.616 14.872 -13.590
270 H GLU 36 H GLU 36 15.782 14.008 -14.405
271 HA GLU 36 HA GLU 36 16.804 16.528 -15.437
272 HB2 GLU 36 2HB GLU 36 18.187 15.130 -16.901
273 HB3 GLU 36 3HB GLU 36 18.350 14.650 -15.218
274 HG2 GLU 36 2HG GLU 36 17.017 12.722 -15.542
275 HG3 GLU 36 3HG GLU 36 16.501 13.267 -17.138
276 H LYS 37 H LYS 37 14.286 14.304 -16.076
277 HA LYS 37 HA LYS 37 13.612 15.779 -18.520
278 HB2 LYS 37 2HB LYS 37 14.640 13.690 -19.252
279 HB3 LYS 37 3HB LYS 37 13.547 12.770 -18.226
280 HG2 LYS 37 2HG LYS 37 11.998 14.443 -19.931
281 HG3 LYS 37 3HG LYS 37 13.182 13.569 -20.907
282 HD2 LYS 37 2HD LYS 37 12.435 11.479 -19.666
283 HD3 LYS 37 3HD LYS 37 11.080 12.443 -19.071
284 HE2 LYS 37 2HE LYS 37 10.585 12.982 -21.498
285 HE3 LYS 37 3HE LYS 37 11.745 11.722 -21.916
286 HZ1 LYS 37 1HZ LYS 37 9.103 11.338 -21.457
287 HZ2 LYS 37 2HZ LYS 37 9.795 10.876 -19.985
288 HZ3 LYS 37 3HZ LYS 37 10.287 10.130 -21.421
289 H ASP 38 H ASP 38 11.489 16.264 -18.742
290 HA ASP 38 HA ASP 38 9.789 16.034 -16.491
291 HB2 ASP 38 2HB ASP 38 9.770 17.836 -18.313
292 HB3 ASP 38 3HB ASP 38 8.859 16.682 -19.284
293 H GLY 39 H GLY 39 8.142 14.662 -16.021
294 HA2 GLY 39 2HA GLY 39 6.506 13.026 -16.484
295 HA3 GLY 39 3HA GLY 39 7.288 12.713 -18.026
296 H ASN 40 H ASN 40 9.664 12.865 -15.735
297 HA ASN 40 HA ASN 40 10.378 10.178 -15.928
298 HB2 ASN 40 2HB ASN 40 11.310 12.524 -14.497
299 HB3 ASN 40 3HB ASN 40 11.473 11.071 -13.516
300 HD21 ASN 40 1HD2 ASN 40 13.777 11.790 -13.848
301 HD22 ASN 40 2HD2 ASN 40 14.610 11.118 -15.204
302 H LYS 41 H LYS 41 10.830 8.948 -13.684
303 HA LYS 41 HA LYS 41 8.216 8.202 -12.745
304 HB2 LYS 41 2HB LYS 41 10.846 7.035 -12.805
305 HB3 LYS 41 3HB LYS 41 10.183 6.923 -11.180
306 HG2 LYS 41 2HG LYS 41 8.371 6.166 -13.381
307 HG3 LYS 41 3HG LYS 41 9.746 5.097 -13.088
308 HD2 LYS 41 2HD LYS 41 8.682 4.202 -11.355
309 HD3 LYS 41 3HD LYS 41 8.611 5.784 -10.575
310 HE2 LYS 41 2HE LYS 41 6.625 5.970 -12.446
311 HE3 LYS 41 3HE LYS 41 6.530 4.274 -11.977
312 HZ1 LYS 41 1HZ LYS 41 5.377 6.315 -10.647
313 HZ2 LYS 41 2HZ LYS 41 6.797 6.090 -9.757
314 HZ3 LYS 41 3HZ LYS 41 5.724 4.801 -9.977
315 H CYS 42 H CYS 42 7.507 8.215 -10.569
316 HA CYS 42 HA CYS 42 9.016 9.782 -8.638
317 HB2 CYS 42 2HB CYS 42 7.570 11.359 -10.027
318 HB3 CYS 42 3HB CYS 42 6.179 10.575 -9.286
319 H THR 43 H THR 43 8.122 9.661 -6.474
320 HA THR 43 HA THR 43 6.105 7.582 -6.052
321 HB THR 43 HB THR 43 8.009 7.106 -4.051
322 HG1 THR 43 HG1 THR 43 9.816 7.677 -5.013
323 HG21 THR 43 1HG2 THR 43 7.849 5.379 -6.482
324 HG22 THR 43 2HG2 THR 43 6.410 5.597 -5.486
325 HG23 THR 43 3HG2 THR 43 7.879 4.923 -4.780
326 H TYR 44 H TYR 44 4.897 7.832 -4.211
327 HA TYR 44 HA TYR 44 5.624 10.032 -2.403
328 HB2 TYR 44 2HB TYR 44 4.001 11.126 -3.643
329 HB3 TYR 44 3HB TYR 44 3.087 9.653 -3.943
330 HD1 TYR 44 HD1 TYR 44 1.075 9.418 -2.843
331 HD2 TYR 44 HD2 TYR 44 4.119 11.790 -1.051
332 HE1 TYR 44 HE1 TYR 44 -0.461 9.994 -1.011
333 HE2 TYR 44 HE2 TYR 44 2.592 12.372 0.787
334 HH TYR 44 HH TYR 44 0.002 10.783 1.600
335 H ASP 45 H ASP 45 5.755 9.308 -0.396
336 HA ASP 45 HA ASP 45 4.327 6.865 0.348
337 HB2 ASP 45 2HB ASP 45 6.790 7.064 0.764
338 HB3 ASP 45 3HB ASP 45 6.444 8.356 1.910
339 H SER 46 H SER 46 2.416 7.071 1.289
340 HA SER 46 HA SER 46 1.604 9.553 2.511
341 HB2 SER 46 2HB SER 46 -0.500 8.814 2.160
342 HB3 SER 46 3HB SER 46 0.257 7.536 1.210
343 HG SER 46 HG SER 46 -1.122 7.337 3.501
344 H TYR 47 H TYR 47 3.397 7.017 3.582
345 HA TYR 47 HA TYR 47 2.272 6.725 6.217
346 HB2 TYR 47 2HB TYR 47 3.441 4.845 5.220
347 HB3 TYR 47 3HB TYR 47 4.906 5.805 5.049
348 HD1 TYR 47 HD1 TYR 47 2.601 4.338 7.563
349 HD2 TYR 47 HD2 TYR 47 6.475 5.921 6.795
350 HE1 TYR 47 HE1 TYR 47 3.340 3.592 9.787
351 HE2 TYR 47 HE2 TYR 47 7.225 5.178 9.016
352 HH TYR 47 HH TYR 47 6.458 3.289 10.682
353 H ASN 48 H ASN 48 5.132 8.300 4.821
354 HA ASN 48 HA ASN 48 5.485 9.750 7.359
355 HB2 ASN 48 2HB ASN 48 7.816 10.096 6.692
356 HB3 ASN 48 3HB ASN 48 7.422 8.379 6.702
357 HD21 ASN 48 1HD2 ASN 48 9.541 8.751 5.371
358 HD22 ASN 48 2HD2 ASN 48 9.305 8.813 3.661
359 H ARG 49 H ARG 49 4.155 10.120 4.403
360 HA ARG 49 HA ARG 49 3.460 11.912 3.186
361 HB2 ARG 49 2HB ARG 49 4.507 13.702 5.370
362 HB3 ARG 49 3HB ARG 49 3.166 13.992 4.271
363 HG2 ARG 49 2HG ARG 49 2.074 11.958 5.417
364 HG3 ARG 49 3HG ARG 49 3.276 12.228 6.681
365 HD2 ARG 49 2HD ARG 49 1.573 14.480 5.685
366 HD3 ARG 49 3HD ARG 49 0.949 13.348 6.884
367 HE ARG 49 HE ARG 49 3.445 14.255 7.754
368 HH11 ARG 49 1HH1 ARG 49 0.236 15.481 7.192
369 HH12 ARG 49 2HH1 ARG 49 0.353 16.714 8.403
370 HH21 ARG 49 1HH2 ARG 49 3.612 15.874 9.352
371 HH22 ARG 49 2HH2 ARG 49 2.275 16.937 9.631
372 H LYS 50 H LYS 50 6.199 10.885 2.971
373 HA LYS 50 HA LYS 50 7.587 13.303 2.024
374 HB2 LYS 50 2HB LYS 50 8.899 12.164 3.679
375 HB3 LYS 50 3HB LYS 50 8.658 10.614 2.884
376 HG2 LYS 50 2HG LYS 50 10.292 10.979 1.383
377 HG3 LYS 50 3HG LYS 50 9.920 12.698 1.235
378 HD2 LYS 50 2HD LYS 50 11.310 11.460 3.608
379 HD3 LYS 50 3HD LYS 50 12.147 12.217 2.251
380 HE2 LYS 50 2HE LYS 50 10.283 14.110 2.984
381 HE3 LYS 50 3HE LYS 50 10.790 13.428 4.528
382 HZ1 LYS 50 1HZ LYS 50 12.464 14.748 2.477
383 HZ2 LYS 50 2HZ LYS 50 13.136 13.788 3.696
384 HZ3 LYS 50 3HZ LYS 50 12.262 15.178 4.100
385 H VAL 51 H VAL 51 8.299 13.435 -0.064
386 HA VAL 51 HA VAL 51 7.452 11.257 -1.861
387 HB VAL 51 HB VAL 51 7.759 14.182 -2.551
388 HG11 VAL 51 1HG1 VAL 51 6.922 13.669 -4.677
389 HG12 VAL 51 2HG1 VAL 51 8.092 12.389 -4.346
390 HG13 VAL 51 3HG1 VAL 51 6.365 12.074 -4.171
391 HG21 VAL 51 1HG2 VAL 51 5.709 12.963 -1.104
392 HG22 VAL 51 2HG2 VAL 51 5.670 14.549 -1.874
393 HG23 VAL 51 3HG2 VAL 51 5.080 13.132 -2.743
394 H LYS 52 H LYS 52 8.997 10.216 -2.924
395 HA LYS 52 HA LYS 52 11.638 11.499 -3.171
396 HB2 LYS 52 2HB LYS 52 11.754 9.579 -1.710
397 HB3 LYS 52 3HB LYS 52 10.919 8.578 -2.891
398 HG2 LYS 52 2HG LYS 52 12.781 8.593 -4.355
399 HG3 LYS 52 3HG LYS 52 13.585 9.859 -3.424
400 HD2 LYS 52 2HD LYS 52 13.922 8.365 -1.574
401 HD3 LYS 52 3HD LYS 52 12.947 7.114 -2.349
402 HE2 LYS 52 2HE LYS 52 14.919 6.321 -3.066
403 HE3 LYS 52 3HE LYS 52 14.814 7.609 -4.265
404 HZ1 LYS 52 1HZ LYS 52 16.503 7.410 -1.895
405 HZ2 LYS 52 2HZ LYS 52 15.923 8.949 -2.291
406 HZ3 LYS 52 3HZ LYS 52 16.842 8.077 -3.413
407 H CYS 53 H CYS 53 12.496 11.738 -5.147
408 HA CYS 53 HA CYS 53 11.104 10.451 -7.405
409 HB2 CYS 53 2HB CYS 53 12.292 13.202 -7.126
410 HB3 CYS 53 3HB CYS 53 12.043 12.474 -8.709
411 H ASP 54 H ASP 54 12.327 9.610 -9.081
412 HA ASP 54 HA ASP 54 15.245 9.638 -8.763
413 HB2 ASP 54 2HB ASP 54 15.029 7.124 -9.546
414 HB3 ASP 54 3HB ASP 54 14.913 7.554 -7.842
415 H PHE 55 H PHE 55 16.427 9.368 -10.671
416 HA PHE 55 HA PHE 55 15.444 10.521 -12.966
417 HB2 PHE 55 2HB PHE 55 17.440 9.848 -14.049
418 HB3 PHE 55 3HB PHE 55 17.870 10.036 -12.352
419 HD1 PHE 55 HD1 PHE 55 16.534 7.398 -11.471
420 HD2 PHE 55 HD2 PHE 55 19.245 8.389 -14.599
421 HE1 PHE 55 HE1 PHE 55 17.407 5.098 -11.438
422 HE2 PHE 55 HE2 PHE 55 20.121 6.090 -14.572
423 HZ PHE 55 HZ PHE 55 19.202 4.441 -12.991
424 H ARG 56 H ARG 56 15.397 9.409 -15.184
425 HA ARG 56 HA ARG 56 14.534 6.702 -15.338
426 HB2 ARG 56 2HB ARG 56 12.549 8.538 -14.578
427 HB3 ARG 56 3HB ARG 56 12.259 8.210 -16.281
428 HG2 ARG 56 2HG ARG 56 12.536 6.101 -14.150
429 HG3 ARG 56 3HG ARG 56 11.005 6.719 -14.772
430 HD2 ARG 56 2HD ARG 56 11.939 6.048 -17.084
431 HD3 ARG 56 3HD ARG 56 13.083 5.070 -16.165
432 HE ARG 56 HE ARG 56 10.335 4.647 -15.428
433 HH11 ARG 56 1HH1 ARG 56 12.900 3.723 -17.593
434 HH12 ARG 56 2HH1 ARG 56 12.225 2.164 -17.936
435 HH21 ARG 56 1HH2 ARG 56 9.437 2.598 -15.871
436 HH22 ARG 56 2HH2 ARG 56 10.255 1.526 -16.956
437 H HIS 57 H HIS 57 14.225 5.997 -17.486
438 HA HIS 57 HA HIS 57 14.555 5.979 -19.738
439 HB2 HIS 57 2HB HIS 57 12.889 7.977 -19.476
440 HB3 HIS 57 3HB HIS 57 14.299 8.966 -19.846
441 HD1 HIS 57 HD1 HIS 57 14.870 9.240 -22.258
442 HD2 HIS 57 HD2 HIS 57 12.241 6.089 -21.609
443 HE1 HIS 57 HE1 HIS 57 14.182 8.456 -24.547
Start of MODEL 14
1 H1 LEU 1 H LEU 1 1.977 0.363 1.256
2 HA LEU 1 HA LEU 1 2.621 -0.400 -0.831
3 HB2 LEU 1 2HB LEU 1 -0.298 -0.003 -1.390
4 HB3 LEU 1 3HB LEU 1 0.848 -0.308 -2.694
5 HG LEU 1 HG LEU 1 0.760 -2.204 -0.396
6 HD11 LEU 1 1HD1 LEU 1 -1.546 -2.103 -0.801
7 HD12 LEU 1 2HD1 LEU 1 -0.982 -3.484 -1.740
8 HD13 LEU 1 3HD1 LEU 1 -1.322 -1.952 -2.544
9 HD21 LEU 1 1HD2 LEU 1 1.548 -2.210 -3.267
10 HD22 LEU 1 2HD2 LEU 1 1.028 -3.724 -2.528
11 HD23 LEU 1 3HD2 LEU 1 2.402 -2.842 -1.859
12 H GLU 2 H GLU 2 3.965 0.927 -1.838
13 HA GLU 2 HA GLU 2 3.795 3.690 -1.855
14 HB2 GLU 2 2HB GLU 2 5.349 1.726 -3.500
15 HB3 GLU 2 3HB GLU 2 5.428 3.440 -3.880
16 HG2 GLU 2 2HG GLU 2 6.910 3.763 -2.277
17 HG3 GLU 2 3HG GLU 2 5.802 3.101 -1.076
18 H TYR 3 H TYR 3 3.039 5.218 -3.255
19 HA TYR 3 HA TYR 3 1.056 4.315 -5.180
20 HB2 TYR 3 2HB TYR 3 1.718 6.964 -3.929
21 HB3 TYR 3 3HB TYR 3 0.685 6.880 -5.352
22 HD1 TYR 3 HD1 TYR 3 0.734 6.859 -1.840
23 HD2 TYR 3 HD2 TYR 3 -1.315 5.167 -5.162
24 HE1 TYR 3 HE1 TYR 3 -1.201 6.387 -0.398
25 HE2 TYR 3 HE2 TYR 3 -3.257 4.691 -3.730
26 HH TYR 3 HH TYR 3 -3.270 4.440 -0.675
27 H LYS 4 H LYS 4 1.122 4.669 -7.359
28 HA LYS 4 HA LYS 4 3.735 5.145 -8.500
29 HB2 LYS 4 2HB LYS 4 1.079 4.469 -9.775
30 HB3 LYS 4 3HB LYS 4 2.595 4.611 -10.654
31 HG2 LYS 4 2HG LYS 4 1.945 2.605 -8.506
32 HG3 LYS 4 3HG LYS 4 2.108 2.292 -10.235
33 HD2 LYS 4 2HD LYS 4 4.490 3.458 -9.723
34 HD3 LYS 4 3HD LYS 4 4.178 2.678 -8.171
35 HE2 LYS 4 2HE LYS 4 3.819 1.150 -10.716
36 HE3 LYS 4 3HE LYS 4 5.435 1.383 -10.050
37 HZ1 LYS 4 1HZ LYS 4 5.041 -0.307 -8.698
38 HZ2 LYS 4 2HZ LYS 4 3.451 -0.453 -9.256
39 HZ3 LYS 4 3HZ LYS 4 3.800 0.573 -7.956
40 H GLY 5 H GLY 5 4.400 7.179 -8.756
41 HA2 GLY 5 2HA GLY 5 2.528 9.084 -10.001
42 HA3 GLY 5 3HA GLY 5 3.469 9.560 -8.595
43 H GLU 6 H GLU 6 3.528 10.851 -11.127
44 HA GLU 6 HA GLU 6 6.221 10.160 -12.092
45 HB2 GLU 6 2HB GLU 6 4.246 11.912 -13.540
46 HB3 GLU 6 3HB GLU 6 5.668 11.107 -14.190
47 HG2 GLU 6 2HG GLU 6 4.235 9.578 -14.936
48 HG3 GLU 6 3HG GLU 6 4.204 9.000 -13.271
49 H CYS 7 H CYS 7 7.471 12.098 -12.927
50 HA CYS 7 HA CYS 7 7.098 14.387 -11.108
51 HB2 CYS 7 2HB CYS 7 9.286 14.362 -10.497
52 HB3 CYS 7 3HB CYS 7 9.165 12.661 -10.933
53 H PHE 8 H PHE 8 8.352 16.363 -11.914
54 HA PHE 8 HA PHE 8 7.840 16.647 -14.798
55 HB2 PHE 8 2HB PHE 8 7.679 18.603 -12.517
56 HB3 PHE 8 3HB PHE 8 7.802 19.152 -14.185
57 HD1 PHE 8 HD1 PHE 8 5.826 19.736 -15.170
58 HD2 PHE 8 HD2 PHE 8 5.832 16.621 -12.269
59 HE1 PHE 8 HE1 PHE 8 3.391 19.494 -15.429
60 HE2 PHE 8 HE2 PHE 8 3.398 16.374 -12.524
61 HZ PHE 8 HZ PHE 8 2.174 17.810 -14.106
62 H THR 9 H THR 9 9.193 18.602 -15.700
63 HA THR 9 HA THR 9 11.806 17.823 -15.979
64 HB THR 9 HB THR 9 11.732 20.688 -16.142
65 HG1 THR 9 HG1 THR 9 9.933 20.615 -17.773
66 HG21 THR 9 1HG2 THR 9 11.406 19.158 -18.617
67 HG22 THR 9 2HG2 THR 9 12.718 18.582 -17.589
68 HG23 THR 9 3HG2 THR 9 12.691 20.261 -18.128
69 H LYS 10 H LYS 10 13.634 19.656 -15.463
70 HA LYS 10 HA LYS 10 14.386 19.251 -12.827
71 HB2 LYS 10 2HB LYS 10 15.477 20.504 -15.079
72 HB3 LYS 10 3HB LYS 10 15.443 21.752 -13.840
73 HG2 LYS 10 2HG LYS 10 17.420 20.889 -13.247
74 HG3 LYS 10 3HG LYS 10 16.442 19.666 -12.433
75 HD2 LYS 10 2HD LYS 10 17.440 18.124 -13.689
76 HD3 LYS 10 3HD LYS 10 16.643 18.827 -15.099
77 HE2 LYS 10 2HE LYS 10 18.523 19.858 -15.810
78 HE3 LYS 10 3HE LYS 10 19.068 20.222 -14.173
79 HZ1 LYS 10 1HZ LYS 10 19.146 17.434 -14.615
80 HZ2 LYS 10 2HZ LYS 10 20.416 18.484 -14.235
81 HZ3 LYS 10 3HZ LYS 10 19.992 18.220 -15.851
82 H ASP 11 H ASP 11 11.832 21.056 -13.831
83 HA ASP 11 HA ASP 11 12.006 23.350 -12.176
84 HB2 ASP 11 2HB ASP 11 9.855 21.981 -13.715
85 HB3 ASP 11 3HB ASP 11 9.361 23.108 -12.454
86 H ASN 12 H ASN 12 11.838 20.173 -11.330
87 HA ASN 12 HA ASN 12 11.380 19.056 -9.403
88 HB2 ASN 12 2HB ASN 12 11.877 21.836 -8.556
89 HB3 ASN 12 3HB ASN 12 10.978 20.860 -7.398
90 HD21 ASN 12 1HD2 ASN 12 12.065 18.402 -7.706
91 HD22 ASN 12 2HD2 ASN 12 13.735 18.427 -7.265
92 H THR 13 H THR 13 9.417 18.163 -9.914
93 HA THR 13 HA THR 13 7.158 19.076 -8.424
94 HB THR 13 HB THR 13 6.244 18.878 -11.179
95 HG1 THR 13 HG1 THR 13 8.374 19.982 -11.357
96 HG21 THR 13 1HG2 THR 13 4.646 20.232 -10.381
97 HG22 THR 13 2HG2 THR 13 5.822 21.389 -9.759
98 HG23 THR 13 3HG2 THR 13 5.384 19.976 -8.801
99 H CYS 14 H CYS 14 5.489 17.537 -8.316
100 HA CYS 14 HA CYS 14 5.773 15.081 -9.857
101 HB2 CYS 14 2HB CYS 14 6.262 15.316 -6.921
102 HB3 CYS 14 3HB CYS 14 5.448 13.874 -7.519
103 H LYS 15 H LYS 15 3.880 13.951 -10.101
104 HA LYS 15 HA LYS 15 1.517 14.945 -8.663
105 HB2 LYS 15 2HB LYS 15 1.414 16.043 -10.785
106 HB3 LYS 15 3HB LYS 15 1.812 14.560 -11.642
107 HG2 LYS 15 2HG LYS 15 -0.528 15.046 -11.906
108 HG3 LYS 15 3HG LYS 15 -0.336 13.596 -10.918
109 HD2 LYS 15 2HD LYS 15 -1.749 14.599 -9.498
110 HD3 LYS 15 3HD LYS 15 -0.361 15.588 -9.037
111 HE2 LYS 15 2HE LYS 15 -2.054 17.137 -9.497
112 HE3 LYS 15 3HE LYS 15 -1.056 17.134 -10.950
113 HZ1 LYS 15 1HZ LYS 15 -3.360 17.074 -11.559
114 HZ2 LYS 15 2HZ LYS 15 -3.642 15.723 -10.581
115 HZ3 LYS 15 3HZ LYS 15 -2.662 15.584 -11.953
116 H TYR 16 H TYR 16 0.812 13.269 -7.518
117 HA TYR 16 HA TYR 16 0.909 10.589 -8.729
118 HB2 TYR 16 2HB TYR 16 0.805 9.708 -6.446
119 HB3 TYR 16 3HB TYR 16 2.165 10.810 -6.629
120 HD1 TYR 16 HD1 TYR 16 1.945 13.162 -5.733
121 HD2 TYR 16 HD2 TYR 16 -0.862 10.097 -4.826
122 HE1 TYR 16 HE1 TYR 16 1.152 14.468 -3.805
123 HE2 TYR 16 HE2 TYR 16 -1.664 11.395 -2.896
124 HH TYR 16 HH TYR 16 -1.474 13.270 -1.731
125 H LYS 17 H LYS 17 -0.886 9.118 -8.098
126 HA LYS 17 HA LYS 17 -3.433 10.567 -7.798
127 HB2 LYS 17 2HB LYS 17 -3.108 9.882 -10.142
128 HB3 LYS 17 3HB LYS 17 -2.899 8.215 -9.623
129 HG2 LYS 17 2HG LYS 17 -5.188 8.178 -8.785
130 HG3 LYS 17 3HG LYS 17 -5.400 9.858 -9.283
131 HD2 LYS 17 2HD LYS 17 -5.634 9.317 -11.464
132 HD3 LYS 17 3HD LYS 17 -4.438 8.021 -11.377
133 HE2 LYS 17 2HE LYS 17 -6.535 6.997 -11.812
134 HE3 LYS 17 3HE LYS 17 -6.148 6.671 -10.124
135 HZ1 LYS 17 1HZ LYS 17 -8.117 7.519 -9.623
136 HZ2 LYS 17 2HZ LYS 17 -8.383 8.035 -11.211
137 HZ3 LYS 17 3HZ LYS 17 -7.560 9.036 -10.124
138 H ILE 18 H ILE 18 -4.880 9.718 -6.400
139 HA ILE 18 HA ILE 18 -4.307 7.059 -5.274
140 HB ILE 18 HB ILE 18 -5.139 9.496 -3.695
141 HG12 ILE 18 2HG1 ILE 18 -2.540 7.968 -3.874
142 HG13 ILE 18 3HG1 ILE 18 -2.813 9.672 -4.222
143 HG21 ILE 18 1HG2 ILE 18 -4.937 8.050 -1.735
144 HG22 ILE 18 2HG2 ILE 18 -6.161 7.449 -2.851
145 HG23 ILE 18 3HG2 ILE 18 -4.578 6.677 -2.782
146 HD11 ILE 18 1HD1 ILE 18 -3.326 10.030 -1.833
147 HD12 ILE 18 2HD1 ILE 18 -2.911 8.342 -1.528
148 HD13 ILE 18 3HD1 ILE 18 -1.683 9.459 -2.123
149 H ASP 19 H ASP 19 -6.083 5.844 -4.623
150 HA ASP 19 HA ASP 19 -8.394 5.980 -6.098
151 HB2 ASP 19 2HB ASP 19 -7.690 4.000 -4.805
152 HB3 ASP 19 3HB ASP 19 -8.119 4.832 -3.312
153 H GLY 20 H GLY 20 -9.966 7.434 -6.184
154 HA2 GLY 20 2HA GLY 20 -11.858 8.437 -5.012
155 HA3 GLY 20 3HA GLY 20 -10.768 8.770 -3.675
156 H LYS 21 H LYS 21 -9.031 10.337 -4.061
157 HA LYS 21 HA LYS 21 -9.736 12.300 -6.140
158 HB2 LYS 21 2HB LYS 21 -9.156 12.743 -3.223
159 HB3 LYS 21 3HB LYS 21 -8.903 14.024 -4.401
160 HG2 LYS 21 2HG LYS 21 -11.514 12.600 -3.932
161 HG3 LYS 21 3HG LYS 21 -11.080 14.179 -3.273
162 HD2 LYS 21 2HD LYS 21 -11.300 13.470 -6.199
163 HD3 LYS 21 3HD LYS 21 -12.463 14.416 -5.268
164 HE2 LYS 21 2HE LYS 21 -10.236 15.819 -4.757
165 HE3 LYS 21 3HE LYS 21 -9.812 15.173 -6.342
166 HZ1 LYS 21 1HZ LYS 21 -11.451 17.343 -5.775
167 HZ2 LYS 21 2HZ LYS 21 -12.459 16.135 -6.395
168 HZ3 LYS 21 3HZ LYS 21 -11.124 16.663 -7.289
169 H THR 22 H THR 22 -8.018 13.544 -6.980
170 HA THR 22 HA THR 22 -5.402 12.251 -6.679
171 HB THR 22 HB THR 22 -6.428 14.078 -8.860
172 HG1 THR 22 HG1 THR 22 -6.937 12.279 -9.866
173 HG21 THR 22 1HG2 THR 22 -3.800 12.604 -8.637
174 HG22 THR 22 2HG2 THR 22 -4.020 14.350 -8.529
175 HG23 THR 22 3HG2 THR 22 -4.356 13.511 -10.043
176 H TYR 23 H TYR 23 -3.575 13.370 -6.129
177 HA TYR 23 HA TYR 23 -3.848 16.240 -5.566
178 HB2 TYR 23 2HB TYR 23 -2.280 14.539 -3.675
179 HB3 TYR 23 3HB TYR 23 -3.089 16.076 -3.389
180 HD1 TYR 23 HD1 TYR 23 -5.319 16.154 -2.586
181 HD2 TYR 23 HD2 TYR 23 -3.640 12.443 -3.817
182 HE1 TYR 23 HE1 TYR 23 -7.234 14.968 -1.599
183 HE2 TYR 23 HE2 TYR 23 -5.551 11.247 -2.834
184 HH TYR 23 HH TYR 23 -7.786 12.749 -0.749
185 H LEU 24 H LEU 24 -1.642 17.228 -5.089
186 HA LEU 24 HA LEU 24 0.309 16.089 -6.976
187 HB2 LEU 24 2HB LEU 24 -0.676 18.325 -7.505
188 HB3 LEU 24 3HB LEU 24 0.091 18.946 -6.044
189 HG LEU 24 HG LEU 24 2.280 18.055 -7.175
190 HD11 LEU 24 1HD1 LEU 24 0.514 18.518 -9.573
191 HD12 LEU 24 2HD1 LEU 24 1.103 16.947 -9.032
192 HD13 LEU 24 3HD1 LEU 24 2.243 18.172 -9.588
193 HD21 LEU 24 1HD2 LEU 24 1.722 20.390 -8.675
194 HD22 LEU 24 2HD2 LEU 24 2.643 20.242 -7.178
195 HD23 LEU 24 3HD2 LEU 24 0.906 20.545 -7.119
196 H ALA 25 H ALA 25 2.525 16.119 -6.448
197 HA ALA 25 HA ALA 25 3.140 16.578 -3.606
198 HB1 ALA 25 1HB ALA 25 3.118 14.295 -3.548
199 HB2 ALA 25 2HB ALA 25 3.583 14.136 -5.242
200 HB3 ALA 25 3HB ALA 25 4.792 14.566 -4.033
201 H LYS 26 H LYS 26 5.307 17.150 -3.134
202 HA LYS 26 HA LYS 26 6.734 18.286 -5.444
203 HB2 LYS 26 2HB LYS 26 6.137 20.033 -3.960
204 HB3 LYS 26 3HB LYS 26 6.610 19.099 -2.546
205 HG2 LYS 26 2HG LYS 26 8.206 20.875 -3.025
206 HG3 LYS 26 3HG LYS 26 8.948 19.281 -3.184
207 HD2 LYS 26 2HD LYS 26 9.489 19.685 -5.304
208 HD3 LYS 26 3HD LYS 26 7.823 20.114 -5.696
209 HE2 LYS 26 2HE LYS 26 9.494 22.087 -4.221
210 HE3 LYS 26 3HE LYS 26 9.792 21.855 -5.943
211 HZ1 LYS 26 1HZ LYS 26 8.072 23.607 -5.128
212 HZ2 LYS 26 2HZ LYS 26 7.037 22.274 -5.018
213 HZ3 LYS 26 3HZ LYS 26 7.745 22.674 -6.502
214 H CYS 27 H CYS 27 8.903 17.905 -5.741
215 HA CYS 27 HA CYS 27 10.064 15.791 -4.050
216 HB2 CYS 27 2HB CYS 27 10.253 16.365 -6.986
217 HB3 CYS 27 3HB CYS 27 11.565 15.511 -6.181
218 HA PRO 28 HA PRO 28 13.387 18.400 -2.865
219 HB2 PRO 28 2HB PRO 28 15.459 16.648 -2.781
220 HB3 PRO 28 3HB PRO 28 14.157 16.653 -1.586
221 HG2 PRO 28 2HG PRO 28 14.526 14.892 -3.979
222 HG3 PRO 28 3HG PRO 28 14.008 14.458 -2.339
223 HD2 PRO 28 2HD PRO 28 12.261 14.764 -4.386
224 HD3 PRO 28 3HD PRO 28 11.840 15.151 -2.705
225 H SER 29 H SER 29 15.360 19.387 -3.557
226 HA SER 29 HA SER 29 15.634 19.414 -6.443
227 HB2 SER 29 2HB SER 29 17.117 21.351 -6.054
228 HB3 SER 29 3HB SER 29 15.564 21.547 -5.243
229 HG SER 29 HG SER 29 18.084 21.332 -4.184
230 H ALA 30 H ALA 30 16.826 17.452 -4.184
231 HA ALA 30 HA ALA 30 19.594 17.417 -4.482
232 HB1 ALA 30 1HB ALA 30 18.824 14.744 -4.239
233 HB2 ALA 30 2HB ALA 30 19.260 15.854 -2.940
234 HB3 ALA 30 3HB ALA 30 17.571 15.670 -3.412
235 H ALA 31 H ALA 31 20.934 16.827 -6.070
236 HA ALA 31 HA ALA 31 20.082 16.400 -8.684
237 HB1 ALA 31 1HB ALA 31 22.236 17.106 -8.688
238 HB2 ALA 31 2HB ALA 31 22.661 16.175 -7.251
239 HB3 ALA 31 3HB ALA 31 22.543 15.374 -8.818
240 H ASN 32 H ASN 32 20.412 14.178 -6.069
241 HA ASN 32 HA ASN 32 20.517 11.827 -7.749
242 HB2 ASN 32 2HB ASN 32 20.535 12.369 -4.818
243 HB3 ASN 32 3HB ASN 32 19.987 10.783 -5.353
244 HD21 ASN 32 1HD2 ASN 32 22.539 13.013 -6.408
245 HD22 ASN 32 2HD2 ASN 32 23.819 11.856 -6.324
246 H THR 33 H THR 33 18.114 13.778 -6.197
247 HA THR 33 HA THR 33 16.040 11.839 -6.993
248 HB THR 33 HB THR 33 14.735 13.487 -5.257
249 HG1 THR 33 HG1 THR 33 16.290 13.475 -3.403
250 HG21 THR 33 1HG2 THR 33 15.660 10.793 -5.330
251 HG22 THR 33 2HG2 THR 33 14.286 11.461 -4.449
252 HG23 THR 33 3HG2 THR 33 15.879 11.414 -3.694
253 H LYS 34 H LYS 34 17.401 14.206 -8.388
254 HA LYS 34 HA LYS 34 15.161 16.012 -8.806
255 HB2 LYS 34 2HB LYS 34 18.047 15.991 -9.514
256 HB3 LYS 34 3HB LYS 34 16.968 16.873 -10.587
257 HG2 LYS 34 2HG LYS 34 16.578 17.424 -7.733
258 HG3 LYS 34 3HG LYS 34 18.146 17.913 -8.381
259 HD2 LYS 34 2HD LYS 34 15.893 18.606 -10.110
260 HD3 LYS 34 3HD LYS 34 15.833 19.380 -8.525
261 HE2 LYS 34 2HE LYS 34 17.024 20.747 -10.184
262 HE3 LYS 34 3HE LYS 34 18.065 20.270 -8.844
263 HZ1 LYS 34 1HZ LYS 34 18.064 18.485 -11.131
264 HZ2 LYS 34 2HZ LYS 34 19.353 19.022 -10.176
265 HZ3 LYS 34 3HZ LYS 34 18.742 20.011 -11.404
266 H CYS 35 H CYS 35 14.949 16.674 -11.275
267 HA CYS 35 HA CYS 35 14.724 14.205 -12.864
268 HB2 CYS 35 2HB CYS 35 12.682 16.426 -12.635
269 HB3 CYS 35 3HB CYS 35 12.594 15.102 -13.792
270 H GLU 36 H GLU 36 15.745 14.323 -14.745
271 HA GLU 36 HA GLU 36 16.708 16.898 -15.691
272 HB2 GLU 36 2HB GLU 36 18.342 15.159 -15.683
273 HB3 GLU 36 3HB GLU 36 17.266 14.055 -16.529
274 HG2 GLU 36 2HG GLU 36 18.960 14.859 -18.033
275 HG3 GLU 36 3HG GLU 36 17.386 15.488 -18.519
276 H LYS 37 H LYS 37 14.210 14.650 -16.377
277 HA LYS 37 HA LYS 37 13.335 16.309 -18.616
278 HB2 LYS 37 2HB LYS 37 14.660 14.102 -19.272
279 HB3 LYS 37 3HB LYS 37 13.097 13.357 -18.968
280 HG2 LYS 37 2HG LYS 37 12.054 14.725 -20.639
281 HG3 LYS 37 3HG LYS 37 13.538 15.653 -20.864
282 HD2 LYS 37 2HD LYS 37 14.460 14.082 -22.184
283 HD3 LYS 37 3HD LYS 37 13.853 12.754 -21.192
284 HE2 LYS 37 2HE LYS 37 11.932 12.559 -22.391
285 HE3 LYS 37 3HE LYS 37 11.860 14.281 -22.763
286 HZ1 LYS 37 1HZ LYS 37 12.908 13.964 -24.683
287 HZ2 LYS 37 2HZ LYS 37 12.621 12.310 -24.476
288 HZ3 LYS 37 3HZ LYS 37 14.096 12.979 -23.989
289 H ASP 38 H ASP 38 11.242 16.775 -18.449
290 HA ASP 38 HA ASP 38 9.648 16.021 -16.317
291 HB2 ASP 38 2HB ASP 38 9.282 17.969 -17.880
292 HB3 ASP 38 3HB ASP 38 8.595 16.827 -19.031
293 H GLY 39 H GLY 39 8.085 14.485 -15.965
294 HA2 GLY 39 2HA GLY 39 6.626 12.727 -16.607
295 HA3 GLY 39 3HA GLY 39 7.547 12.540 -18.092
296 H ASN 40 H ASN 40 9.788 12.855 -15.731
297 HA ASN 40 HA ASN 40 10.683 10.210 -15.882
298 HB2 ASN 40 2HB ASN 40 11.584 12.630 -14.732
299 HB3 ASN 40 3HB ASN 40 11.582 11.434 -13.439
300 HD21 ASN 40 1HD2 ASN 40 13.351 12.732 -15.896
301 HD22 ASN 40 2HD2 ASN 40 14.502 11.463 -16.119
302 H LYS 41 H LYS 41 11.211 9.075 -13.600
303 HA LYS 41 HA LYS 41 8.650 8.176 -12.650
304 HB2 LYS 41 2HB LYS 41 11.317 7.165 -12.717
305 HB3 LYS 41 3HB LYS 41 10.763 7.137 -11.048
306 HG2 LYS 41 2HG LYS 41 9.397 5.862 -13.409
307 HG3 LYS 41 3HG LYS 41 10.276 5.033 -12.123
308 HD2 LYS 41 2HD LYS 41 8.535 6.375 -10.618
309 HD3 LYS 41 3HD LYS 41 7.579 6.271 -12.098
310 HE2 LYS 41 2HE LYS 41 8.739 4.003 -10.491
311 HE3 LYS 41 3HE LYS 41 7.036 4.385 -10.736
312 HZ1 LYS 41 1HZ LYS 41 7.365 3.924 -13.121
313 HZ2 LYS 41 2HZ LYS 41 7.650 2.570 -12.148
314 HZ3 LYS 41 3HZ LYS 41 8.951 3.434 -12.796
315 H CYS 42 H CYS 42 7.913 8.217 -10.489
316 HA CYS 42 HA CYS 42 9.292 9.900 -8.569
317 HB2 CYS 42 2HB CYS 42 7.853 11.400 -10.051
318 HB3 CYS 42 3HB CYS 42 6.459 10.603 -9.329
319 H THR 43 H THR 43 8.337 9.805 -6.433
320 HA THR 43 HA THR 43 6.324 7.733 -6.011
321 HB THR 43 HB THR 43 8.227 7.250 -4.002
322 HG1 THR 43 HG1 THR 43 9.527 6.888 -6.476
323 HG21 THR 43 1HG2 THR 43 7.114 5.794 -6.347
324 HG22 THR 43 2HG2 THR 43 7.020 5.408 -4.629
325 HG23 THR 43 3HG2 THR 43 8.508 5.096 -5.523
326 H TYR 44 H TYR 44 5.196 7.917 -4.076
327 HA TYR 44 HA TYR 44 5.920 10.143 -2.308
328 HB2 TYR 44 2HB TYR 44 4.308 11.266 -3.528
329 HB3 TYR 44 3HB TYR 44 3.384 9.804 -3.855
330 HD1 TYR 44 HD1 TYR 44 1.276 9.870 -2.940
331 HD2 TYR 44 HD2 TYR 44 4.499 11.592 -0.760
332 HE1 TYR 44 HE1 TYR 44 -0.269 10.434 -1.111
333 HE2 TYR 44 HE2 TYR 44 2.963 12.159 1.075
334 HH TYR 44 HH TYR 44 -0.109 12.433 0.883
335 H ASP 45 H ASP 45 6.058 9.403 -0.308
336 HA ASP 45 HA ASP 45 4.589 6.985 0.439
337 HB2 ASP 45 2HB ASP 45 7.103 7.266 0.823
338 HB3 ASP 45 3HB ASP 45 6.670 8.397 2.103
339 H SER 46 H SER 46 2.725 7.173 1.471
340 HA SER 46 HA SER 46 1.926 9.681 2.652
341 HB2 SER 46 2HB SER 46 -0.214 8.880 2.547
342 HB3 SER 46 3HB SER 46 0.517 7.785 1.373
343 HG SER 46 HG SER 46 -0.671 6.603 2.877
344 H TYR 47 H TYR 47 3.394 6.791 3.721
345 HA TYR 47 HA TYR 47 2.459 6.774 6.404
346 HB2 TYR 47 2HB TYR 47 3.536 4.838 5.196
347 HB3 TYR 47 3HB TYR 47 5.080 5.659 5.395
348 HD1 TYR 47 HD1 TYR 47 6.186 5.725 7.531
349 HD2 TYR 47 HD2 TYR 47 2.349 3.928 7.145
350 HE1 TYR 47 HE1 TYR 47 6.445 4.709 9.756
351 HE2 TYR 47 HE2 TYR 47 2.596 2.908 9.369
352 HH TYR 47 HH TYR 47 3.810 2.986 11.306
353 H ASN 48 H ASN 48 5.322 8.136 4.826
354 HA ASN 48 HA ASN 48 5.983 9.522 7.336
355 HB2 ASN 48 2HB ASN 48 8.085 9.853 5.478
356 HB3 ASN 48 3HB ASN 48 8.084 8.868 6.938
357 HD21 ASN 48 1HD2 ASN 48 8.501 8.836 3.665
358 HD22 ASN 48 2HD2 ASN 48 8.288 7.147 3.371
359 H ARG 49 H ARG 49 4.358 10.039 4.561
360 HA ARG 49 HA ARG 49 3.682 11.876 3.403
361 HB2 ARG 49 2HB ARG 49 4.831 13.541 5.635
362 HB3 ARG 49 3HB ARG 49 3.467 13.916 4.590
363 HG2 ARG 49 2HG ARG 49 2.427 11.779 5.679
364 HG3 ARG 49 3HG ARG 49 3.607 12.107 6.949
365 HD2 ARG 49 2HD ARG 49 1.641 14.139 5.907
366 HD3 ARG 49 3HD ARG 49 1.353 13.128 7.322
367 HE ARG 49 HE ARG 49 3.809 14.468 7.616
368 HH11 ARG 49 1HH1 ARG 49 0.383 15.090 7.600
369 HH12 ARG 49 2HH1 ARG 49 0.495 16.459 8.655
370 HH21 ARG 49 1HH2 ARG 49 3.968 16.270 9.006
371 HH22 ARG 49 2HH2 ARG 49 2.534 17.130 9.454
372 H LYS 50 H LYS 50 6.425 10.843 3.069
373 HA LYS 50 HA LYS 50 7.783 13.292 2.159
374 HB2 LYS 50 2HB LYS 50 9.349 12.303 3.517
375 HB3 LYS 50 3HB LYS 50 8.761 10.677 3.194
376 HG2 LYS 50 2HG LYS 50 9.841 10.644 1.056
377 HG3 LYS 50 3HG LYS 50 10.296 12.343 1.212
378 HD2 LYS 50 2HD LYS 50 11.231 10.122 3.031
379 HD3 LYS 50 3HD LYS 50 12.165 10.799 1.695
380 HE2 LYS 50 2HE LYS 50 11.277 12.965 3.276
381 HE3 LYS 50 3HE LYS 50 11.913 11.745 4.379
382 HZ1 LYS 50 1HZ LYS 50 13.301 13.223 2.250
383 HZ2 LYS 50 2HZ LYS 50 13.864 11.692 2.697
384 HZ3 LYS 50 3HZ LYS 50 13.786 12.933 3.845
385 H VAL 51 H VAL 51 8.402 13.514 0.053
386 HA VAL 51 HA VAL 51 7.509 11.399 -1.797
387 HB VAL 51 HB VAL 51 7.701 14.365 -2.342
388 HG11 VAL 51 1HG1 VAL 51 6.467 12.214 -4.052
389 HG12 VAL 51 2HG1 VAL 51 6.728 13.909 -4.468
390 HG13 VAL 51 3HG1 VAL 51 8.106 12.824 -4.279
391 HG21 VAL 51 1HG2 VAL 51 5.166 12.768 -2.220
392 HG22 VAL 51 2HG2 VAL 51 5.857 13.492 -0.768
393 HG23 VAL 51 3HG2 VAL 51 5.384 14.516 -2.124
394 H LYS 52 H LYS 52 9.087 10.377 -2.820
395 HA LYS 52 HA LYS 52 11.637 11.789 -3.251
396 HB2 LYS 52 2HB LYS 52 11.859 9.907 -1.706
397 HB3 LYS 52 3HB LYS 52 11.135 8.829 -2.892
398 HG2 LYS 52 2HG LYS 52 13.082 9.513 -4.413
399 HG3 LYS 52 3HG LYS 52 13.830 10.133 -2.939
400 HD2 LYS 52 2HD LYS 52 12.801 7.503 -2.459
401 HD3 LYS 52 3HD LYS 52 13.820 7.483 -3.900
402 HE2 LYS 52 2HE LYS 52 15.702 8.147 -2.738
403 HE3 LYS 52 3HE LYS 52 14.766 8.893 -1.444
404 HZ1 LYS 52 1HZ LYS 52 14.930 7.034 -0.283
405 HZ2 LYS 52 2HZ LYS 52 15.871 6.337 -1.503
406 HZ3 LYS 52 3HZ LYS 52 14.190 6.145 -1.518
407 H CYS 53 H CYS 53 12.552 11.781 -5.257
408 HA CYS 53 HA CYS 53 10.969 10.532 -7.407
409 HB2 CYS 53 2HB CYS 53 12.381 13.169 -7.235
410 HB3 CYS 53 3HB CYS 53 12.182 12.394 -8.803
411 H ASP 54 H ASP 54 12.025 9.447 -9.043
412 HA ASP 54 HA ASP 54 14.942 9.213 -8.871
413 HB2 ASP 54 2HB ASP 54 14.478 6.667 -9.367
414 HB3 ASP 54 3HB ASP 54 14.478 7.272 -7.713
415 H PHE 55 H PHE 55 15.967 8.593 -10.803
416 HA PHE 55 HA PHE 55 14.772 9.546 -13.160
417 HB2 PHE 55 2HB PHE 55 17.103 7.639 -13.122
418 HB3 PHE 55 3HB PHE 55 16.772 8.938 -14.263
419 HD1 PHE 55 HD1 PHE 55 15.988 10.900 -11.932
420 HD2 PHE 55 HD2 PHE 55 19.361 8.432 -12.740
421 HE1 PHE 55 HE1 PHE 55 17.410 12.418 -10.617
422 HE2 PHE 55 HE2 PHE 55 20.788 9.946 -11.426
423 HZ PHE 55 HZ PHE 55 19.812 11.941 -10.361
424 H ARG 56 H ARG 56 14.848 8.103 -15.233
425 HA ARG 56 HA ARG 56 13.581 5.511 -14.658
426 HB2 ARG 56 2HB ARG 56 12.464 7.831 -16.052
427 HB3 ARG 56 3HB ARG 56 12.355 6.341 -16.979
428 HG2 ARG 56 2HG ARG 56 11.550 5.662 -14.393
429 HG3 ARG 56 3HG ARG 56 10.792 7.219 -14.735
430 HD2 ARG 56 2HD ARG 56 10.713 5.042 -16.780
431 HD3 ARG 56 3HD ARG 56 9.598 5.001 -15.415
432 HE ARG 56 HE ARG 56 9.486 7.546 -16.568
433 HH11 ARG 56 1HH1 ARG 56 8.672 4.249 -17.334
434 HH12 ARG 56 2HH1 ARG 56 7.366 4.679 -18.389
435 HH21 ARG 56 1HH2 ARG 56 7.770 8.125 -17.955
436 HH22 ARG 56 2HH2 ARG 56 6.855 6.884 -18.742
437 H HIS 57 H HIS 57 13.859 3.896 -16.232
438 HA HIS 57 HA HIS 57 15.060 2.688 -17.742
439 HB2 HIS 57 2HB HIS 57 14.001 3.929 -19.452
440 HB3 HIS 57 3HB HIS 57 14.941 5.376 -19.098
441 HD1 HIS 57 HD1 HIS 57 17.096 5.680 -20.352
442 HD2 HIS 57 HD2 HIS 57 15.506 1.869 -20.805
443 HE1 HIS 57 HE1 HIS 57 18.495 4.575 -22.125
Start of MODEL 15
1 H1 LEU 1 H LEU 1 2.201 -0.303 0.857
2 HA LEU 1 HA LEU 1 2.894 -0.759 -1.316
3 HB2 LEU 1 2HB LEU 1 0.038 -0.309 -2.157
4 HB3 LEU 1 3HB LEU 1 1.340 -0.984 -3.134
5 HG LEU 1 HG LEU 1 0.041 -2.287 -0.742
6 HD11 LEU 1 1HD1 LEU 1 -1.239 -3.484 -2.155
7 HD12 LEU 1 2HD1 LEU 1 0.003 -3.543 -3.405
8 HD13 LEU 1 3HD1 LEU 1 -0.993 -2.100 -3.221
9 HD21 LEU 1 1HD2 LEU 1 1.413 -4.230 -1.314
10 HD22 LEU 1 2HD2 LEU 1 2.410 -2.842 -0.877
11 HD23 LEU 1 3HD2 LEU 1 2.219 -3.292 -2.572
12 H GLU 2 H GLU 2 4.111 0.866 -1.997
13 HA GLU 2 HA GLU 2 3.578 3.563 -1.689
14 HB2 GLU 2 2HB GLU 2 5.539 1.954 -3.176
15 HB3 GLU 2 3HB GLU 2 5.264 3.557 -3.842
16 HG2 GLU 2 2HG GLU 2 6.124 2.900 -1.036
17 HG3 GLU 2 3HG GLU 2 7.114 3.613 -2.307
18 H TYR 3 H TYR 3 2.876 5.203 -3.061
19 HA TYR 3 HA TYR 3 0.902 4.375 -5.004
20 HB2 TYR 3 2HB TYR 3 1.684 7.006 -3.782
21 HB3 TYR 3 3HB TYR 3 0.621 6.950 -5.184
22 HD1 TYR 3 HD1 TYR 3 -1.373 5.163 -4.903
23 HD2 TYR 3 HD2 TYR 3 0.674 7.101 -1.716
24 HE1 TYR 3 HE1 TYR 3 -3.303 4.766 -3.430
25 HE2 TYR 3 HE2 TYR 3 -1.250 6.708 -0.234
26 HH TYR 3 HH TYR 3 -3.653 4.551 -0.872
27 H LYS 4 H LYS 4 0.957 4.690 -7.184
28 HA LYS 4 HA LYS 4 3.567 5.091 -8.364
29 HB2 LYS 4 2HB LYS 4 0.889 4.209 -9.377
30 HB3 LYS 4 3HB LYS 4 2.121 4.728 -10.520
31 HG2 LYS 4 2HG LYS 4 3.608 3.027 -9.163
32 HG3 LYS 4 3HG LYS 4 2.036 2.325 -8.776
33 HD2 LYS 4 2HD LYS 4 1.702 2.623 -11.400
34 HD3 LYS 4 3HD LYS 4 3.462 2.492 -11.374
35 HE2 LYS 4 2HE LYS 4 3.116 0.410 -9.943
36 HE3 LYS 4 3HE LYS 4 1.422 0.499 -10.424
37 HZ1 LYS 4 1HZ LYS 4 2.000 0.200 -12.679
38 HZ2 LYS 4 2HZ LYS 4 2.864 -0.972 -11.819
39 HZ3 LYS 4 3HZ LYS 4 3.650 0.418 -12.377
40 H GLY 5 H GLY 5 4.268 7.108 -8.655
41 HA2 GLY 5 2HA GLY 5 2.424 9.029 -9.919
42 HA3 GLY 5 3HA GLY 5 3.375 9.509 -8.521
43 H GLU 6 H GLU 6 3.454 10.765 -11.067
44 HA GLU 6 HA GLU 6 6.135 10.016 -12.025
45 HB2 GLU 6 2HB GLU 6 5.416 11.513 -14.020
46 HB3 GLU 6 3HB GLU 6 4.760 9.886 -13.892
47 HG2 GLU 6 2HG GLU 6 2.700 10.748 -12.975
48 HG3 GLU 6 3HG GLU 6 3.355 12.385 -12.977
49 H CYS 7 H CYS 7 7.418 11.915 -12.885
50 HA CYS 7 HA CYS 7 7.072 14.245 -11.113
51 HB2 CYS 7 2HB CYS 7 9.245 14.178 -10.470
52 HB3 CYS 7 3HB CYS 7 9.120 12.481 -10.923
53 H PHE 8 H PHE 8 8.326 16.195 -11.947
54 HA PHE 8 HA PHE 8 7.846 16.426 -14.841
55 HB2 PHE 8 2HB PHE 8 7.699 18.430 -12.599
56 HB3 PHE 8 3HB PHE 8 7.833 18.942 -14.278
57 HD1 PHE 8 HD1 PHE 8 5.830 16.474 -12.315
58 HD2 PHE 8 HD2 PHE 8 5.865 19.525 -15.283
59 HE1 PHE 8 HE1 PHE 8 3.393 16.247 -12.572
60 HE2 PHE 8 HE2 PHE 8 3.428 19.304 -15.544
61 HZ PHE 8 HZ PHE 8 2.189 17.664 -14.187
62 H THR 9 H THR 9 9.228 18.343 -15.775
63 HA THR 9 HA THR 9 11.834 17.527 -16.019
64 HB THR 9 HB THR 9 11.793 20.390 -16.246
65 HG1 THR 9 HG1 THR 9 9.946 20.728 -17.346
66 HG21 THR 9 1HG2 THR 9 12.770 18.244 -17.637
67 HG22 THR 9 2HG2 THR 9 12.760 19.909 -18.217
68 HG23 THR 9 3HG2 THR 9 11.469 18.804 -18.687
69 H LYS 10 H LYS 10 13.681 19.348 -15.531
70 HA LYS 10 HA LYS 10 14.408 18.995 -12.881
71 HB2 LYS 10 2HB LYS 10 15.438 20.382 -15.172
72 HB3 LYS 10 3HB LYS 10 15.612 21.404 -13.751
73 HG2 LYS 10 2HG LYS 10 16.414 18.608 -13.365
74 HG3 LYS 10 3HG LYS 10 17.391 19.517 -14.521
75 HD2 LYS 10 2HD LYS 10 16.755 20.884 -11.979
76 HD3 LYS 10 3HD LYS 10 17.854 19.506 -11.873
77 HE2 LYS 10 2HE LYS 10 18.385 21.434 -14.044
78 HE3 LYS 10 3HE LYS 10 18.653 22.022 -12.404
79 HZ1 LYS 10 1HZ LYS 10 20.539 20.893 -12.310
80 HZ2 LYS 10 2HZ LYS 10 20.340 20.434 -13.925
81 HZ3 LYS 10 3HZ LYS 10 19.757 19.440 -12.687
82 H ASP 11 H ASP 11 11.887 20.810 -13.947
83 HA ASP 11 HA ASP 11 12.078 23.142 -12.351
84 HB2 ASP 11 2HB ASP 11 10.044 21.837 -14.013
85 HB3 ASP 11 3HB ASP 11 9.378 22.719 -12.641
86 H ASN 12 H ASN 12 11.862 19.988 -11.424
87 HA ASN 12 HA ASN 12 11.391 18.931 -9.467
88 HB2 ASN 12 2HB ASN 12 11.870 21.740 -8.684
89 HB3 ASN 12 3HB ASN 12 10.998 20.766 -7.505
90 HD21 ASN 12 1HD2 ASN 12 12.124 18.324 -7.782
91 HD22 ASN 12 2HD2 ASN 12 13.798 18.384 -7.357
92 H THR 13 H THR 13 9.427 18.036 -9.969
93 HA THR 13 HA THR 13 7.164 18.997 -8.518
94 HB THR 13 HB THR 13 6.265 18.748 -11.274
95 HG1 THR 13 HG1 THR 13 8.402 19.829 -11.468
96 HG21 THR 13 1HG2 THR 13 4.685 19.642 -9.862
97 HG22 THR 13 2HG2 THR 13 5.372 21.116 -10.544
98 HG23 THR 13 3HG2 THR 13 5.872 20.567 -8.944
99 H CYS 14 H CYS 14 5.491 17.467 -8.379
100 HA CYS 14 HA CYS 14 5.772 14.978 -9.869
101 HB2 CYS 14 2HB CYS 14 6.236 15.280 -6.936
102 HB3 CYS 14 3HB CYS 14 5.407 13.833 -7.501
103 H LYS 15 H LYS 15 3.874 13.857 -10.114
104 HA LYS 15 HA LYS 15 1.501 14.894 -8.724
105 HB2 LYS 15 2HB LYS 15 1.366 15.960 -10.836
106 HB3 LYS 15 3HB LYS 15 1.874 14.508 -11.688
107 HG2 LYS 15 2HG LYS 15 -0.488 14.906 -12.020
108 HG3 LYS 15 3HG LYS 15 -0.239 13.424 -11.094
109 HD2 LYS 15 2HD LYS 15 -1.700 14.255 -9.624
110 HD3 LYS 15 3HD LYS 15 -0.428 15.385 -9.154
111 HE2 LYS 15 2HE LYS 15 -2.037 16.903 -9.650
112 HE3 LYS 15 3HE LYS 15 -1.387 16.692 -11.276
113 HZ1 LYS 15 1HZ LYS 15 -3.192 14.751 -11.228
114 HZ2 LYS 15 2HZ LYS 15 -3.543 16.322 -11.747
115 HZ3 LYS 15 3HZ LYS 15 -3.939 15.843 -10.174
116 H TYR 16 H TYR 16 0.751 13.249 -7.565
117 HA TYR 16 HA TYR 16 0.828 10.549 -8.737
118 HB2 TYR 16 2HB TYR 16 0.720 9.702 -6.431
119 HB3 TYR 16 3HB TYR 16 2.114 10.750 -6.666
120 HD1 TYR 16 HD1 TYR 16 -0.868 10.164 -4.760
121 HD2 TYR 16 HD2 TYR 16 1.968 13.146 -5.841
122 HE1 TYR 16 HE1 TYR 16 -1.579 11.528 -2.841
123 HE2 TYR 16 HE2 TYR 16 1.266 14.517 -3.924
124 HH TYR 16 HH TYR 16 0.098 14.499 -1.976
125 H LYS 17 H LYS 17 -0.974 9.102 -7.934
126 HA LYS 17 HA LYS 17 -3.499 10.591 -7.670
127 HB2 LYS 17 2HB LYS 17 -3.223 9.848 -10.003
128 HB3 LYS 17 3HB LYS 17 -3.027 8.191 -9.449
129 HG2 LYS 17 2HG LYS 17 -5.308 8.244 -8.538
130 HG3 LYS 17 3HG LYS 17 -5.499 9.887 -9.155
131 HD2 LYS 17 2HD LYS 17 -4.592 7.882 -11.117
132 HD3 LYS 17 3HD LYS 17 -6.235 7.666 -10.509
133 HE2 LYS 17 2HE LYS 17 -5.491 10.416 -11.273
134 HE3 LYS 17 3HE LYS 17 -5.594 9.253 -12.594
135 HZ1 LYS 17 1HZ LYS 17 -7.698 10.364 -10.939
136 HZ2 LYS 17 2HZ LYS 17 -7.834 8.708 -11.254
137 HZ3 LYS 17 3HZ LYS 17 -7.754 9.808 -12.536
138 H ILE 18 H ILE 18 -4.938 9.786 -6.235
139 HA ILE 18 HA ILE 18 -4.370 7.151 -5.052
140 HB ILE 18 HB ILE 18 -5.174 9.626 -3.518
141 HG12 ILE 18 2HG1 ILE 18 -2.573 8.097 -3.687
142 HG13 ILE 18 3HG1 ILE 18 -2.853 9.783 -4.108
143 HG21 ILE 18 1HG2 ILE 18 -4.926 8.223 -1.530
144 HG22 ILE 18 2HG2 ILE 18 -6.174 7.599 -2.608
145 HG23 ILE 18 3HG2 ILE 18 -4.588 6.829 -2.556
146 HD11 ILE 18 1HD1 ILE 18 -2.910 8.576 -1.355
147 HD12 ILE 18 2HD1 ILE 18 -1.699 9.674 -2.017
148 HD13 ILE 18 3HD1 ILE 18 -3.342 10.244 -1.728
149 H ASP 19 H ASP 19 -6.146 5.966 -4.348
150 HA ASP 19 HA ASP 19 -8.476 6.087 -5.797
151 HB2 ASP 19 2HB ASP 19 -9.470 4.743 -3.829
152 HB3 ASP 19 3HB ASP 19 -8.079 4.069 -4.674
153 H GLY 20 H GLY 20 -10.042 7.547 -5.888
154 HA2 GLY 20 2HA GLY 20 -11.908 8.590 -4.716
155 HA3 GLY 20 3HA GLY 20 -10.801 8.936 -3.396
156 H LYS 21 H LYS 21 -9.049 10.477 -3.834
157 HA LYS 21 HA LYS 21 -9.767 12.415 -5.933
158 HB2 LYS 21 2HB LYS 21 -9.136 12.896 -3.033
159 HB3 LYS 21 3HB LYS 21 -8.885 14.156 -4.234
160 HG2 LYS 21 2HG LYS 21 -11.506 12.772 -3.703
161 HG3 LYS 21 3HG LYS 21 -11.042 14.356 -3.078
162 HD2 LYS 21 2HD LYS 21 -11.320 13.601 -5.987
163 HD3 LYS 21 3HD LYS 21 -12.452 14.583 -5.054
164 HE2 LYS 21 2HE LYS 21 -10.201 15.963 -4.604
165 HE3 LYS 21 3HE LYS 21 -9.802 15.275 -6.178
166 HZ1 LYS 21 1HZ LYS 21 -10.897 17.069 -6.924
167 HZ2 LYS 21 2HZ LYS 21 -11.758 17.298 -5.486
168 HZ3 LYS 21 3HZ LYS 21 -12.284 16.150 -6.613
169 H THR 22 H THR 22 -8.050 13.628 -6.820
170 HA THR 22 HA THR 22 -5.445 12.307 -6.548
171 HB THR 22 HB THR 22 -6.467 14.139 -8.727
172 HG1 THR 22 HG1 THR 22 -7.435 12.163 -8.961
173 HG21 THR 22 1HG2 THR 22 -3.900 12.551 -8.584
174 HG22 THR 22 2HG2 THR 22 -4.028 14.301 -8.403
175 HG23 THR 22 3HG2 THR 22 -4.443 13.540 -9.939
176 H TYR 23 H TYR 23 -3.597 13.407 -6.035
177 HA TYR 23 HA TYR 23 -3.826 16.286 -5.496
178 HB2 TYR 23 2HB TYR 23 -2.248 14.569 -3.622
179 HB3 TYR 23 3HB TYR 23 -3.009 16.130 -3.334
180 HD1 TYR 23 HD1 TYR 23 -5.224 16.278 -2.494
181 HD2 TYR 23 HD2 TYR 23 -3.662 12.509 -3.704
182 HE1 TYR 23 HE1 TYR 23 -7.149 15.153 -1.454
183 HE2 TYR 23 HE2 TYR 23 -5.583 11.374 -2.668
184 HH TYR 23 HH TYR 23 -7.286 12.175 -0.582
185 H LEU 24 H LEU 24 -1.602 17.255 -5.075
186 HA LEU 24 HA LEU 24 0.301 16.077 -6.987
187 HB2 LEU 24 2HB LEU 24 -0.661 18.781 -6.520
188 HB3 LEU 24 3HB LEU 24 1.099 18.685 -6.541
189 HG LEU 24 HG LEU 24 -0.283 17.333 -8.769
190 HD11 LEU 24 1HD1 LEU 24 -1.474 19.600 -8.210
191 HD12 LEU 24 2HD1 LEU 24 -1.071 19.178 -9.873
192 HD13 LEU 24 3HD1 LEU 24 -0.044 20.294 -8.974
193 HD21 LEU 24 1HD2 LEU 24 2.290 18.284 -8.132
194 HD22 LEU 24 2HD2 LEU 24 1.710 19.253 -9.487
195 HD23 LEU 24 3HD2 LEU 24 1.760 17.495 -9.618
196 H ALA 25 H ALA 25 2.533 16.111 -6.506
197 HA ALA 25 HA ALA 25 3.197 16.565 -3.673
198 HB1 ALA 25 1HB ALA 25 3.219 14.294 -3.598
199 HB2 ALA 25 2HB ALA 25 3.580 14.127 -5.317
200 HB3 ALA 25 3HB ALA 25 4.861 14.560 -4.185
201 H LYS 26 H LYS 26 5.356 17.169 -3.235
202 HA LYS 26 HA LYS 26 6.774 18.255 -5.577
203 HB2 LYS 26 2HB LYS 26 6.105 20.058 -4.186
204 HB3 LYS 26 3HB LYS 26 6.597 19.212 -2.725
205 HG2 LYS 26 2HG LYS 26 8.138 21.017 -3.309
206 HG3 LYS 26 3HG LYS 26 8.928 19.439 -3.341
207 HD2 LYS 26 2HD LYS 26 9.490 19.703 -5.478
208 HD3 LYS 26 3HD LYS 26 7.818 20.056 -5.923
209 HE2 LYS 26 2HE LYS 26 9.389 21.885 -6.486
210 HE3 LYS 26 3HE LYS 26 8.113 22.381 -5.375
211 HZ1 LYS 26 1HZ LYS 26 10.698 21.475 -4.304
212 HZ2 LYS 26 2HZ LYS 26 9.574 22.544 -3.629
213 HZ3 LYS 26 3HZ LYS 26 10.556 23.048 -4.911
214 H CYS 27 H CYS 27 8.945 17.887 -5.833
215 HA CYS 27 HA CYS 27 10.137 15.923 -3.989
216 HB2 CYS 27 2HB CYS 27 10.455 16.306 -6.962
217 HB3 CYS 27 3HB CYS 27 11.600 15.362 -6.014
218 HA PRO 28 HA PRO 28 13.403 18.692 -3.030
219 HB2 PRO 28 2HB PRO 28 15.493 16.982 -2.749
220 HB3 PRO 28 3HB PRO 28 14.177 17.093 -1.574
221 HG2 PRO 28 2HG PRO 28 14.591 15.103 -3.772
222 HG3 PRO 28 3HG PRO 28 14.060 14.831 -2.102
223 HD2 PRO 28 2HD PRO 28 12.333 14.909 -4.187
224 HD3 PRO 28 3HD PRO 28 11.889 15.459 -2.558
225 H SER 29 H SER 29 15.390 19.614 -3.791
226 HA SER 29 HA SER 29 15.680 19.382 -6.664
227 HB2 SER 29 2HB SER 29 17.596 21.156 -5.414
228 HB3 SER 29 3HB SER 29 16.298 21.535 -6.545
229 HG SER 29 HG SER 29 15.940 22.589 -4.585
230 H ALA 30 H ALA 30 16.805 17.544 -4.313
231 HA ALA 30 HA ALA 30 19.543 17.429 -4.382
232 HB1 ALA 30 1HB ALA 30 17.393 15.567 -3.779
233 HB2 ALA 30 2HB ALA 30 18.840 14.766 -4.391
234 HB3 ALA 30 3HB ALA 30 18.943 15.808 -2.972
235 H ALA 31 H ALA 31 21.085 16.783 -5.779
236 HA ALA 31 HA ALA 31 20.627 16.696 -8.515
237 HB1 ALA 31 1HB ALA 31 22.954 15.404 -7.103
238 HB2 ALA 31 2HB ALA 31 22.907 16.012 -8.758
239 HB3 ALA 31 3HB ALA 31 22.814 17.137 -7.403
240 H ASN 32 H ASN 32 20.978 14.024 -6.213
241 HA ASN 32 HA ASN 32 20.595 12.038 -8.281
242 HB2 ASN 32 2HB ASN 32 21.931 11.955 -5.939
243 HB3 ASN 32 3HB ASN 32 20.397 11.258 -5.427
244 HD21 ASN 32 1HD2 ASN 32 22.697 11.020 -8.119
245 HD22 ASN 32 2HD2 ASN 32 22.634 9.297 -8.241
246 H THR 33 H THR 33 18.594 14.015 -6.484
247 HA THR 33 HA THR 33 16.335 12.139 -6.754
248 HB THR 33 HB THR 33 16.128 14.494 -4.936
249 HG1 THR 33 HG1 THR 33 17.277 12.062 -4.034
250 HG21 THR 33 1HG2 THR 33 14.710 12.972 -3.665
251 HG22 THR 33 2HG2 THR 33 15.132 11.648 -4.751
252 HG23 THR 33 3HG2 THR 33 14.202 13.020 -5.353
253 H LYS 34 H LYS 34 17.584 14.265 -8.580
254 HA LYS 34 HA LYS 34 15.271 16.030 -8.924
255 HB2 LYS 34 2HB LYS 34 18.133 16.138 -9.727
256 HB3 LYS 34 3HB LYS 34 16.969 16.918 -10.789
257 HG2 LYS 34 2HG LYS 34 16.580 17.580 -7.979
258 HG3 LYS 34 3HG LYS 34 18.161 18.055 -8.603
259 HD2 LYS 34 2HD LYS 34 16.457 18.818 -10.619
260 HD3 LYS 34 3HD LYS 34 15.514 19.152 -9.165
261 HE2 LYS 34 2HE LYS 34 17.679 20.276 -8.308
262 HE3 LYS 34 3HE LYS 34 18.163 20.276 -10.003
263 HZ1 LYS 34 1HZ LYS 34 16.394 22.026 -8.667
264 HZ2 LYS 34 2HZ LYS 34 15.570 21.246 -9.920
265 HZ3 LYS 34 3HZ LYS 34 16.983 22.117 -10.250
266 H CYS 35 H CYS 35 14.896 16.553 -11.383
267 HA CYS 35 HA CYS 35 14.757 13.998 -12.845
268 HB2 CYS 35 2HB CYS 35 12.666 16.173 -12.652
269 HB3 CYS 35 3HB CYS 35 12.596 14.846 -13.807
270 H GLU 36 H GLU 36 15.795 14.033 -14.717
271 HA GLU 36 HA GLU 36 16.628 16.578 -15.853
272 HB2 GLU 36 2HB GLU 36 18.035 15.214 -17.335
273 HB3 GLU 36 3HB GLU 36 18.297 14.814 -15.643
274 HG2 GLU 36 2HG GLU 36 17.507 12.721 -15.872
275 HG3 GLU 36 3HG GLU 36 16.273 13.197 -17.037
276 H LYS 37 H LYS 37 14.138 14.328 -16.262
277 HA LYS 37 HA LYS 37 13.317 15.649 -18.736
278 HB2 LYS 37 2HB LYS 37 14.450 13.612 -19.470
279 HB3 LYS 37 3HB LYS 37 13.444 12.647 -18.397
280 HG2 LYS 37 2HG LYS 37 11.696 14.147 -20.015
281 HG3 LYS 37 3HG LYS 37 12.938 13.480 -21.077
282 HD2 LYS 37 2HD LYS 37 12.484 11.254 -20.313
283 HD3 LYS 37 3HD LYS 37 11.396 11.854 -19.060
284 HE2 LYS 37 2HE LYS 37 9.923 11.165 -20.704
285 HE3 LYS 37 3HE LYS 37 10.086 12.887 -21.045
286 HZ1 LYS 37 1HZ LYS 37 11.032 12.477 -23.007
287 HZ2 LYS 37 2HZ LYS 37 10.431 10.905 -22.845
288 HZ3 LYS 37 3HZ LYS 37 12.026 11.251 -22.400
289 H ASP 38 H ASP 38 11.164 16.011 -18.863
290 HA ASP 38 HA ASP 38 9.574 15.694 -16.543
291 HB2 ASP 38 2HB ASP 38 9.386 17.471 -18.400
292 HB3 ASP 38 3HB ASP 38 8.465 16.258 -19.284
293 H GLY 39 H GLY 39 7.965 14.269 -16.037
294 HA2 GLY 39 2HA GLY 39 6.411 12.542 -16.462
295 HA3 GLY 39 3HA GLY 39 7.218 12.225 -17.991
296 H ASN 40 H ASN 40 9.623 12.548 -15.793
297 HA ASN 40 HA ASN 40 10.421 9.883 -15.867
298 HB2 ASN 40 2HB ASN 40 11.309 12.326 -14.581
299 HB3 ASN 40 3HB ASN 40 11.546 10.933 -13.531
300 HD21 ASN 40 1HD2 ASN 40 13.810 11.787 -14.007
301 HD22 ASN 40 2HD2 ASN 40 14.633 11.042 -15.331
302 H LYS 41 H LYS 41 10.974 8.771 -13.589
303 HA LYS 41 HA LYS 41 8.422 7.966 -12.548
304 HB2 LYS 41 2HB LYS 41 11.122 6.944 -12.566
305 HB3 LYS 41 3HB LYS 41 10.448 6.863 -10.943
306 HG2 LYS 41 2HG LYS 41 8.726 5.910 -13.148
307 HG3 LYS 41 3HG LYS 41 10.136 4.927 -12.747
308 HD2 LYS 41 2HD LYS 41 9.056 4.085 -10.997
309 HD3 LYS 41 3HD LYS 41 8.876 5.705 -10.319
310 HE2 LYS 41 2HE LYS 41 6.955 5.694 -12.252
311 HE3 LYS 41 3HE LYS 41 6.933 4.013 -11.721
312 HZ1 LYS 41 1HZ LYS 41 5.589 4.784 -10.129
313 HZ2 LYS 41 2HZ LYS 41 6.071 6.392 -10.336
314 HZ3 LYS 41 3HZ LYS 41 7.003 5.347 -9.388
315 H CYS 42 H CYS 42 7.742 8.074 -10.368
316 HA CYS 42 HA CYS 42 9.202 9.796 -8.540
317 HB2 CYS 42 2HB CYS 42 7.704 11.252 -10.010
318 HB3 CYS 42 3HB CYS 42 6.341 10.477 -9.209
319 H THR 43 H THR 43 8.319 9.768 -6.368
320 HA THR 43 HA THR 43 6.346 7.682 -5.820
321 HB THR 43 HB THR 43 8.308 7.328 -3.837
322 HG1 THR 43 HG1 THR 43 10.183 7.331 -4.841
323 HG21 THR 43 1HG2 THR 43 8.284 5.081 -4.539
324 HG22 THR 43 2HG2 THR 43 7.908 5.518 -6.206
325 HG23 THR 43 3HG2 THR 43 6.684 5.697 -4.949
326 H TYR 44 H TYR 44 5.168 8.000 -3.968
327 HA TYR 44 HA TYR 44 5.918 10.261 -2.249
328 HB2 TYR 44 2HB TYR 44 4.316 11.346 -3.522
329 HB3 TYR 44 3HB TYR 44 3.377 9.880 -3.783
330 HD1 TYR 44 HD1 TYR 44 4.504 11.875 -0.820
331 HD2 TYR 44 HD2 TYR 44 1.295 9.915 -2.811
332 HE1 TYR 44 HE1 TYR 44 2.981 12.536 0.995
333 HE2 TYR 44 HE2 TYR 44 -0.237 10.572 -1.002
334 HH TYR 44 HH TYR 44 0.146 12.870 0.989
335 H ASP 45 H ASP 45 6.036 9.596 -0.222
336 HA ASP 45 HA ASP 45 4.565 7.204 0.597
337 HB2 ASP 45 2HB ASP 45 7.075 7.507 0.994
338 HB3 ASP 45 3HB ASP 45 6.626 8.679 2.230
339 H SER 46 H SER 46 2.694 7.419 1.610
340 HA SER 46 HA SER 46 1.864 9.963 2.681
341 HB2 SER 46 2HB SER 46 -0.277 9.101 2.703
342 HB3 SER 46 3HB SER 46 0.453 8.084 1.462
343 HG SER 46 HG SER 46 0.699 6.457 2.969
344 H TYR 47 H TYR 47 3.326 7.113 3.889
345 HA TYR 47 HA TYR 47 2.398 7.232 6.567
346 HB2 TYR 47 2HB TYR 47 3.443 5.224 5.508
347 HB3 TYR 47 3HB TYR 47 4.995 6.054 5.559
348 HD1 TYR 47 HD1 TYR 47 2.583 4.120 7.417
349 HD2 TYR 47 HD2 TYR 47 5.994 6.636 7.787
350 HE1 TYR 47 HE1 TYR 47 2.953 3.273 9.696
351 HE2 TYR 47 HE2 TYR 47 6.375 5.794 10.067
352 HH TYR 47 HH TYR 47 5.667 3.439 11.301
353 H ASN 48 H ASN 48 5.271 8.506 4.934
354 HA ASN 48 HA ASN 48 5.917 10.024 7.371
355 HB2 ASN 48 2HB ASN 48 8.043 10.247 5.530
356 HB3 ASN 48 3HB ASN 48 8.015 9.326 7.031
357 HD21 ASN 48 1HD2 ASN 48 8.466 9.151 3.765
358 HD22 ASN 48 2HD2 ASN 48 8.249 7.451 3.543
359 H ARG 49 H ARG 49 4.325 10.392 4.553
360 HA ARG 49 HA ARG 49 3.688 12.158 3.268
361 HB2 ARG 49 2HB ARG 49 4.673 13.710 5.669
362 HB3 ARG 49 3HB ARG 49 3.713 14.388 4.360
363 HG2 ARG 49 2HG ARG 49 2.314 12.129 5.253
364 HG3 ARG 49 3HG ARG 49 2.858 12.980 6.701
365 HD2 ARG 49 2HD ARG 49 1.634 14.861 6.220
366 HD3 ARG 49 3HD ARG 49 1.655 14.560 4.483
367 HE ARG 49 HE ARG 49 -0.246 13.290 4.706
368 HH11 ARG 49 1HH1 ARG 49 1.114 13.917 7.848
369 HH12 ARG 49 2HH1 ARG 49 -0.256 13.296 8.709
370 HH21 ARG 49 1HH2 ARG 49 -2.055 12.470 5.827
371 HH22 ARG 49 2HH2 ARG 49 -2.057 12.472 7.558
372 H LYS 50 H LYS 50 6.442 11.134 3.065
373 HA LYS 50 HA LYS 50 7.810 13.548 2.078
374 HB2 LYS 50 2HB LYS 50 9.263 12.589 3.626
375 HB3 LYS 50 3HB LYS 50 8.817 10.948 3.178
376 HG2 LYS 50 2HG LYS 50 10.321 10.852 1.503
377 HG3 LYS 50 3HG LYS 50 10.111 12.550 1.071
378 HD2 LYS 50 2HD LYS 50 12.048 12.966 2.087
379 HD3 LYS 50 3HD LYS 50 11.261 12.574 3.617
380 HE2 LYS 50 2HE LYS 50 11.990 10.325 3.521
381 HE3 LYS 50 3HE LYS 50 12.479 10.480 1.834
382 HZ1 LYS 50 1HZ LYS 50 14.429 10.547 3.151
383 HZ2 LYS 50 2HZ LYS 50 13.778 11.700 4.204
384 HZ3 LYS 50 3HZ LYS 50 14.161 12.129 2.613
385 H VAL 51 H VAL 51 8.393 13.703 -0.025
386 HA VAL 51 HA VAL 51 7.599 11.478 -1.784
387 HB VAL 51 HB VAL 51 7.871 14.402 -2.497
388 HG11 VAL 51 1HG1 VAL 51 8.255 12.657 -4.300
389 HG12 VAL 51 2HG1 VAL 51 6.554 12.230 -4.105
390 HG13 VAL 51 3HG1 VAL 51 7.003 13.856 -4.619
391 HG21 VAL 51 1HG2 VAL 51 5.565 14.638 -2.324
392 HG22 VAL 51 2HG2 VAL 51 5.284 12.897 -2.345
393 HG23 VAL 51 3HG2 VAL 51 5.970 13.662 -0.911
394 H LYS 52 H LYS 52 9.156 10.419 -2.806
395 HA LYS 52 HA LYS 52 11.776 11.731 -3.121
396 HB2 LYS 52 2HB LYS 52 11.923 9.855 -1.600
397 HB3 LYS 52 3HB LYS 52 11.105 8.807 -2.752
398 HG2 LYS 52 2HG LYS 52 12.958 8.730 -4.176
399 HG3 LYS 52 3HG LYS 52 13.711 10.133 -3.414
400 HD2 LYS 52 2HD LYS 52 14.524 8.918 -1.665
401 HD3 LYS 52 3HD LYS 52 13.187 7.766 -1.703
402 HE2 LYS 52 2HE LYS 52 14.135 6.557 -3.472
403 HE3 LYS 52 3HE LYS 52 15.234 7.868 -3.895
404 HZ1 LYS 52 1HZ LYS 52 15.783 5.700 -2.291
405 HZ2 LYS 52 2HZ LYS 52 15.664 7.007 -1.225
406 HZ3 LYS 52 3HZ LYS 52 16.755 7.066 -2.517
407 H CYS 53 H CYS 53 12.586 11.950 -5.114
408 HA CYS 53 HA CYS 53 11.217 10.545 -7.314
409 HB2 CYS 53 2HB CYS 53 12.255 13.355 -7.103
410 HB3 CYS 53 3HB CYS 53 12.105 12.578 -8.676
411 H ASP 54 H ASP 54 12.453 9.703 -8.982
412 HA ASP 54 HA ASP 54 15.370 9.861 -8.709
413 HB2 ASP 54 2HB ASP 54 14.554 7.783 -7.596
414 HB3 ASP 54 3HB ASP 54 13.867 7.271 -9.135
415 H PHE 55 H PHE 55 16.530 9.613 -10.622
416 HA PHE 55 HA PHE 55 15.429 10.606 -12.946
417 HB2 PHE 55 2HB PHE 55 17.462 10.060 -14.028
418 HB3 PHE 55 3HB PHE 55 17.893 10.346 -12.346
419 HD1 PHE 55 HD1 PHE 55 19.392 8.743 -14.533
420 HD2 PHE 55 HD2 PHE 55 16.771 7.632 -11.368
421 HE1 PHE 55 HE1 PHE 55 20.456 6.527 -14.434
422 HE2 PHE 55 HE2 PHE 55 17.831 5.414 -11.265
423 HZ PHE 55 HZ PHE 55 19.677 4.860 -12.798
424 H ARG 56 H ARG 56 15.496 9.381 -15.123
425 HA ARG 56 HA ARG 56 14.829 6.617 -15.142
426 HB2 ARG 56 2HB ARG 56 12.705 8.395 -14.540
427 HB3 ARG 56 3HB ARG 56 12.452 7.825 -16.184
428 HG2 ARG 56 2HG ARG 56 12.865 6.066 -13.776
429 HG3 ARG 56 3HG ARG 56 11.311 6.430 -14.528
430 HD2 ARG 56 2HD ARG 56 11.700 4.532 -15.672
431 HD3 ARG 56 3HD ARG 56 12.714 5.571 -16.672
432 HE ARG 56 HE ARG 56 14.252 4.605 -14.540
433 HH11 ARG 56 1HH1 ARG 56 12.671 3.453 -17.421
434 HH12 ARG 56 2HH1 ARG 56 13.784 2.148 -17.667
435 HH21 ARG 56 1HH2 ARG 56 15.723 2.890 -14.853
436 HH22 ARG 56 2HH2 ARG 56 15.519 1.828 -16.205
437 H HIS 57 H HIS 57 14.585 5.784 -17.253
438 HA HIS 57 HA HIS 57 15.044 5.662 -19.477
439 HB2 HIS 57 2HB HIS 57 13.083 6.895 -19.914
440 HB3 HIS 57 3HB HIS 57 13.780 8.388 -19.293
441 HD1 HIS 57 HD1 HIS 57 13.297 6.470 -22.373
442 HD2 HIS 57 HD2 HIS 57 15.746 9.564 -21.072
443 HE1 HIS 57 HE1 HIS 57 14.247 7.499 -24.461
Start of MODEL 16
1 H1 LEU 1 H LEU 1 2.519 -2.538 -2.587
2 HA LEU 1 HA LEU 1 4.429 -1.371 -3.501
3 HB2 LEU 1 2HB LEU 1 2.445 -2.467 -5.052
4 HB3 LEU 1 3HB LEU 1 2.655 -0.869 -5.766
5 HG LEU 1 HG LEU 1 5.102 -2.478 -5.285
6 HD11 LEU 1 1HD1 LEU 1 4.604 -3.432 -7.671
7 HD12 LEU 1 2HD1 LEU 1 2.924 -3.232 -7.174
8 HD13 LEU 1 3HD1 LEU 1 4.007 -4.257 -6.231
9 HD21 LEU 1 1HD2 LEU 1 4.912 -1.370 -7.877
10 HD22 LEU 1 2HD2 LEU 1 5.923 -0.840 -6.533
11 HD23 LEU 1 3HD2 LEU 1 4.308 -0.162 -6.743
12 H GLU 2 H GLU 2 2.841 0.535 -1.928
13 HA GLU 2 HA GLU 2 2.607 2.781 -1.652
14 HB2 GLU 2 2HB GLU 2 5.062 2.361 -2.991
15 HB3 GLU 2 3HB GLU 2 4.311 3.760 -3.743
16 HG2 GLU 2 2HG GLU 2 5.622 4.635 -2.026
17 HG3 GLU 2 3HG GLU 2 3.978 4.655 -1.389
18 H TYR 3 H TYR 3 2.413 4.948 -3.132
19 HA TYR 3 HA TYR 3 0.144 4.370 -4.864
20 HB2 TYR 3 2HB TYR 3 1.212 6.873 -3.583
21 HB3 TYR 3 3HB TYR 3 0.001 6.950 -4.858
22 HD1 TYR 3 HD1 TYR 3 0.348 7.120 -1.469
23 HD2 TYR 3 HD2 TYR 3 -1.955 5.044 -4.383
24 HE1 TYR 3 HE1 TYR 3 -1.420 6.751 0.200
25 HE2 TYR 3 HE2 TYR 3 -3.730 4.671 -2.722
26 HH TYR 3 HH TYR 3 -4.487 5.237 -0.677
27 H LYS 4 H LYS 4 0.003 4.938 -7.010
28 HA LYS 4 HA LYS 4 2.519 5.145 -8.416
29 HB2 LYS 4 2HB LYS 4 1.023 3.668 -9.450
30 HB3 LYS 4 3HB LYS 4 -0.341 4.760 -9.247
31 HG2 LYS 4 2HG LYS 4 0.074 5.832 -11.167
32 HG3 LYS 4 3HG LYS 4 1.820 5.829 -10.909
33 HD2 LYS 4 2HD LYS 4 2.115 3.865 -12.015
34 HD3 LYS 4 3HD LYS 4 0.552 3.220 -11.508
35 HE2 LYS 4 2HE LYS 4 -0.599 4.431 -13.170
36 HE3 LYS 4 3HE LYS 4 0.793 5.464 -13.493
37 HZ1 LYS 4 1HZ LYS 4 1.302 2.658 -13.893
38 HZ2 LYS 4 2HZ LYS 4 1.662 3.975 -14.890
39 HZ3 LYS 4 3HZ LYS 4 0.119 3.284 -14.928
40 H GLY 5 H GLY 5 3.459 7.064 -8.661
41 HA2 GLY 5 2HA GLY 5 1.762 9.336 -9.468
42 HA3 GLY 5 3HA GLY 5 2.963 9.532 -8.200
43 H GLU 6 H GLU 6 2.855 11.020 -10.625
44 HA GLU 6 HA GLU 6 5.238 10.028 -12.039
45 HB2 GLU 6 2HB GLU 6 4.495 11.742 -13.801
46 HB3 GLU 6 3HB GLU 6 3.548 10.269 -13.642
47 HG2 GLU 6 2HG GLU 6 1.894 11.465 -12.312
48 HG3 GLU 6 3HG GLU 6 2.845 12.942 -12.451
49 H CYS 7 H CYS 7 6.633 11.837 -12.945
50 HA CYS 7 HA CYS 7 6.910 13.971 -10.931
51 HB2 CYS 7 2HB CYS 7 9.049 13.402 -10.591
52 HB3 CYS 7 3HB CYS 7 8.728 11.937 -11.514
53 H PHE 8 H PHE 8 7.896 15.960 -11.687
54 HA PHE 8 HA PHE 8 7.128 16.529 -14.458
55 HB2 PHE 8 2HB PHE 8 6.973 17.995 -11.962
56 HB3 PHE 8 3HB PHE 8 7.792 18.939 -13.203
57 HD1 PHE 8 HD1 PHE 8 4.646 17.469 -12.128
58 HD2 PHE 8 HD2 PHE 8 6.626 19.575 -15.252
59 HE1 PHE 8 HE1 PHE 8 2.467 18.061 -13.106
60 HE2 PHE 8 HE2 PHE 8 4.450 20.172 -16.234
61 HZ PHE 8 HZ PHE 8 2.367 19.415 -15.161
62 H THR 9 H THR 9 8.505 18.363 -15.463
63 HA THR 9 HA THR 9 11.000 17.405 -16.105
64 HB THR 9 HB THR 9 11.209 20.220 -16.289
65 HG1 THR 9 HG1 THR 9 9.086 20.605 -15.971
66 HG21 THR 9 1HG2 THR 9 10.102 18.608 -18.534
67 HG22 THR 9 2HG2 THR 9 11.690 18.175 -17.900
68 HG23 THR 9 3HG2 THR 9 11.404 19.796 -18.532
69 H LYS 10 H LYS 10 13.009 19.077 -15.810
70 HA LYS 10 HA LYS 10 14.038 18.585 -13.278
71 HB2 LYS 10 2HB LYS 10 14.994 19.659 -15.647
72 HB3 LYS 10 3HB LYS 10 15.153 20.986 -14.503
73 HG2 LYS 10 2HG LYS 10 17.039 20.074 -13.796
74 HG3 LYS 10 3HG LYS 10 16.102 18.717 -13.167
75 HD2 LYS 10 2HD LYS 10 17.298 17.455 -14.576
76 HD3 LYS 10 3HD LYS 10 16.281 18.140 -15.847
77 HE2 LYS 10 2HE LYS 10 18.385 18.573 -16.671
78 HE3 LYS 10 3HE LYS 10 18.039 20.071 -15.809
79 HZ1 LYS 10 1HZ LYS 10 19.482 19.534 -14.116
80 HZ2 LYS 10 2HZ LYS 10 20.294 18.899 -15.457
81 HZ3 LYS 10 3HZ LYS 10 19.427 17.872 -14.430
82 H ASP 11 H ASP 11 11.547 20.595 -13.964
83 HA ASP 11 HA ASP 11 12.127 22.882 -12.396
84 HB2 ASP 11 2HB ASP 11 9.748 21.717 -13.701
85 HB3 ASP 11 3HB ASP 11 9.414 22.734 -12.301
86 H ASN 12 H ASN 12 11.804 19.732 -11.473
87 HA ASN 12 HA ASN 12 11.592 18.695 -9.459
88 HB2 ASN 12 2HB ASN 12 12.722 21.164 -8.879
89 HB3 ASN 12 3HB ASN 12 11.363 21.056 -7.764
90 HD21 ASN 12 1HD2 ASN 12 13.389 18.470 -9.050
91 HD22 ASN 12 2HD2 ASN 12 14.012 17.957 -7.522
92 H THR 13 H THR 13 9.542 17.881 -9.815
93 HA THR 13 HA THR 13 7.504 18.792 -8.049
94 HB THR 13 HB THR 13 6.060 18.832 -10.472
95 HG1 THR 13 HG1 THR 13 7.109 20.603 -11.528
96 HG21 THR 13 1HG2 THR 13 5.416 20.027 -8.469
97 HG22 THR 13 2HG2 THR 13 5.590 21.172 -9.799
98 HG23 THR 13 3HG2 THR 13 6.852 21.043 -8.574
99 H CYS 14 H CYS 14 5.611 17.400 -8.066
100 HA CYS 14 HA CYS 14 5.758 14.985 -9.677
101 HB2 CYS 14 2HB CYS 14 6.375 15.092 -6.773
102 HB3 CYS 14 3HB CYS 14 5.362 13.760 -7.320
103 H LYS 15 H LYS 15 3.804 13.928 -9.888
104 HA LYS 15 HA LYS 15 1.518 15.021 -8.402
105 HB2 LYS 15 2HB LYS 15 1.455 16.175 -10.501
106 HB3 LYS 15 3HB LYS 15 1.741 14.687 -11.394
107 HG2 LYS 15 2HG LYS 15 -0.422 13.933 -11.092
108 HG3 LYS 15 3HG LYS 15 -0.691 14.960 -9.682
109 HD2 LYS 15 2HD LYS 15 -0.092 16.612 -11.933
110 HD3 LYS 15 3HD LYS 15 -1.366 15.474 -12.381
111 HE2 LYS 15 2HE LYS 15 -1.454 17.091 -9.846
112 HE3 LYS 15 3HE LYS 15 -2.103 17.688 -11.372
113 HZ1 LYS 15 1HZ LYS 15 -2.936 15.082 -10.255
114 HZ2 LYS 15 2HZ LYS 15 -3.721 16.030 -11.414
115 HZ3 LYS 15 3HZ LYS 15 -3.696 16.521 -9.796
116 H TYR 16 H TYR 16 0.597 13.398 -7.351
117 HA TYR 16 HA TYR 16 0.517 10.750 -8.643
118 HB2 TYR 16 2HB TYR 16 0.488 9.776 -6.380
119 HB3 TYR 16 3HB TYR 16 1.939 10.732 -6.659
120 HD1 TYR 16 HD1 TYR 16 2.032 13.083 -5.705
121 HD2 TYR 16 HD2 TYR 16 -0.941 10.256 -4.576
122 HE1 TYR 16 HE1 TYR 16 1.566 14.392 -3.676
123 HE2 TYR 16 HE2 TYR 16 -1.416 11.559 -2.545
124 HH TYR 16 HH TYR 16 0.597 14.181 -1.531
125 H LYS 17 H LYS 17 -1.301 9.361 -7.597
126 HA LYS 17 HA LYS 17 -3.710 10.982 -7.162
127 HB2 LYS 17 2HB LYS 17 -3.831 10.429 -9.483
128 HB3 LYS 17 3HB LYS 17 -3.369 8.760 -9.175
129 HG2 LYS 17 2HG LYS 17 -5.481 8.375 -8.023
130 HG3 LYS 17 3HG LYS 17 -5.945 10.055 -8.303
131 HD2 LYS 17 2HD LYS 17 -6.424 9.698 -10.490
132 HD3 LYS 17 3HD LYS 17 -5.142 8.501 -10.686
133 HE2 LYS 17 2HE LYS 17 -6.805 7.185 -9.007
134 HE3 LYS 17 3HE LYS 17 -7.964 8.155 -9.915
135 HZ1 LYS 17 1HZ LYS 17 -6.254 7.133 -11.801
136 HZ2 LYS 17 2HZ LYS 17 -7.830 6.609 -11.481
137 HZ3 LYS 17 3HZ LYS 17 -6.517 5.845 -10.735
138 H ILE 18 H ILE 18 -5.088 10.197 -5.657
139 HA ILE 18 HA ILE 18 -4.608 7.477 -4.639
140 HB ILE 18 HB ILE 18 -5.128 9.918 -2.936
141 HG12 ILE 18 2HG1 ILE 18 -2.651 8.243 -3.375
142 HG13 ILE 18 3HG1 ILE 18 -2.853 9.960 -3.707
143 HG21 ILE 18 1HG2 ILE 18 -4.654 7.044 -2.155
144 HG22 ILE 18 2HG2 ILE 18 -4.812 8.401 -1.041
145 HG23 ILE 18 3HG2 ILE 18 -6.183 7.915 -2.038
146 HD11 ILE 18 1HD1 ILE 18 -1.547 9.667 -1.716
147 HD12 ILE 18 2HD1 ILE 18 -3.114 10.354 -1.286
148 HD13 ILE 18 3HD1 ILE 18 -2.794 8.643 -1.003
149 H ASP 19 H ASP 19 -6.401 6.374 -3.852
150 HA ASP 19 HA ASP 19 -8.821 6.718 -5.105
151 HB2 ASP 19 2HB ASP 19 -8.105 5.348 -2.521
152 HB3 ASP 19 3HB ASP 19 -9.753 5.334 -3.143
153 H GLY 20 H GLY 20 -10.287 8.277 -5.004
154 HA2 GLY 20 2HA GLY 20 -11.985 9.365 -3.625
155 HA3 GLY 20 3HA GLY 20 -10.747 9.591 -2.399
156 H LYS 21 H LYS 21 -8.968 11.061 -2.910
157 HA LYS 21 HA LYS 21 -9.732 13.113 -4.880
158 HB2 LYS 21 2HB LYS 21 -8.853 13.452 -2.024
159 HB3 LYS 21 3HB LYS 21 -8.642 14.743 -3.200
160 HG2 LYS 21 2HG LYS 21 -11.275 13.456 -2.509
161 HG3 LYS 21 3HG LYS 21 -10.688 14.986 -1.855
162 HD2 LYS 21 2HD LYS 21 -11.215 14.386 -4.766
163 HD3 LYS 21 3HD LYS 21 -12.241 15.355 -3.705
164 HE2 LYS 21 2HE LYS 21 -9.846 16.584 -3.377
165 HE3 LYS 21 3HE LYS 21 -9.716 16.041 -5.049
166 HZ1 LYS 21 1HZ LYS 21 -10.755 18.324 -4.559
167 HZ2 LYS 21 2HZ LYS 21 -12.135 17.447 -4.126
168 HZ3 LYS 21 3HZ LYS 21 -11.510 17.320 -5.692
169 H THR 22 H THR 22 -8.017 14.281 -5.839
170 HA THR 22 HA THR 22 -5.486 12.802 -5.843
171 HB THR 22 HB THR 22 -6.586 14.811 -7.818
172 HG1 THR 22 HG1 THR 22 -6.981 13.045 -9.071
173 HG21 THR 22 1HG2 THR 22 -4.579 13.713 -9.160
174 HG22 THR 22 2HG2 THR 22 -3.916 13.528 -7.536
175 HG23 THR 22 3HG2 THR 22 -4.342 15.130 -8.138
176 H TYR 23 H TYR 23 -3.538 13.749 -5.405
177 HA TYR 23 HA TYR 23 -3.536 16.593 -4.668
178 HB2 TYR 23 2HB TYR 23 -1.947 14.651 -3.038
179 HB3 TYR 23 3HB TYR 23 -2.563 16.238 -2.593
180 HD1 TYR 23 HD1 TYR 23 -4.719 16.492 -1.611
181 HD2 TYR 23 HD2 TYR 23 -3.486 12.699 -3.093
182 HE1 TYR 23 HE1 TYR 23 -6.639 15.438 -0.492
183 HE2 TYR 23 HE2 TYR 23 -5.403 11.634 -1.979
184 HH TYR 23 HH TYR 23 -7.128 12.990 0.407
185 H LEU 24 H LEU 24 -1.220 17.384 -4.347
186 HA LEU 24 HA LEU 24 0.444 16.243 -6.489
187 HB2 LEU 24 2HB LEU 24 -0.423 18.603 -6.709
188 HB3 LEU 24 3HB LEU 24 0.618 19.023 -5.350
189 HG LEU 24 HG LEU 24 2.531 18.099 -6.814
190 HD11 LEU 24 1HD1 LEU 24 0.474 18.642 -8.950
191 HD12 LEU 24 2HD1 LEU 24 1.066 17.047 -8.487
192 HD13 LEU 24 3HD1 LEU 24 2.169 18.223 -9.201
193 HD21 LEU 24 1HD2 LEU 24 1.186 20.629 -7.739
194 HD22 LEU 24 2HD2 LEU 24 2.909 20.252 -7.748
195 HD23 LEU 24 3HD2 LEU 24 2.067 20.495 -6.217
196 H ALA 25 H ALA 25 2.698 16.070 -6.187
197 HA ALA 25 HA ALA 25 3.588 16.201 -3.381
198 HB1 ALA 25 1HB ALA 25 3.721 13.959 -5.312
199 HB2 ALA 25 2HB ALA 25 5.118 14.205 -4.263
200 HB3 ALA 25 3HB ALA 25 3.523 13.939 -3.559
201 H LYS 26 H LYS 26 5.817 16.626 -3.043
202 HA LYS 26 HA LYS 26 7.105 17.961 -5.330
203 HB2 LYS 26 2HB LYS 26 6.671 19.585 -3.663
204 HB3 LYS 26 3HB LYS 26 7.195 18.514 -2.370
205 HG2 LYS 26 2HG LYS 26 8.826 20.268 -2.785
206 HG3 LYS 26 3HG LYS 26 9.496 18.677 -3.151
207 HD2 LYS 26 2HD LYS 26 9.925 19.289 -5.246
208 HD3 LYS 26 3HD LYS 26 8.245 19.772 -5.490
209 HE2 LYS 26 2HE LYS 26 9.962 21.600 -3.913
210 HE3 LYS 26 3HE LYS 26 10.288 21.488 -5.642
211 HZ1 LYS 26 1HZ LYS 26 8.342 23.001 -4.421
212 HZ2 LYS 26 2HZ LYS 26 7.502 21.723 -5.143
213 HZ3 LYS 26 3HZ LYS 26 8.507 22.710 -6.080
214 H CYS 27 H CYS 27 9.250 17.570 -5.790
215 HA CYS 27 HA CYS 27 10.432 15.255 -4.407
216 HB2 CYS 27 2HB CYS 27 10.396 16.119 -7.258
217 HB3 CYS 27 3HB CYS 27 11.835 15.292 -6.672
218 HA PRO 28 HA PRO 28 13.946 17.559 -3.149
219 HB2 PRO 28 2HB PRO 28 15.991 15.831 -3.598
220 HB3 PRO 28 3HB PRO 28 14.813 15.609 -2.299
221 HG2 PRO 28 2HG PRO 28 14.918 14.324 -5.001
222 HG3 PRO 28 3HG PRO 28 14.558 13.591 -3.427
223 HD2 PRO 28 2HD PRO 28 12.623 14.265 -5.197
224 HD3 PRO 28 3HD PRO 28 12.375 14.331 -3.440
225 H SER 29 H SER 29 15.523 18.933 -3.893
226 HA SER 29 HA SER 29 15.614 19.395 -6.715
227 HB2 SER 29 2HB SER 29 17.555 21.023 -5.728
228 HB3 SER 29 3HB SER 29 15.839 21.429 -5.731
229 HG SER 29 HG SER 29 16.879 21.675 -3.663
230 H ALA 30 H ALA 30 17.346 17.393 -4.634
231 HA ALA 30 HA ALA 30 19.957 17.451 -5.480
232 HB1 ALA 30 1HB ALA 30 19.291 14.723 -5.280
233 HB2 ALA 30 2HB ALA 30 20.010 15.760 -4.046
234 HB3 ALA 30 3HB ALA 30 18.257 15.583 -4.138
235 H ALA 31 H ALA 31 21.067 16.887 -7.263
236 HA ALA 31 HA ALA 31 19.754 16.577 -9.729
237 HB1 ALA 31 1HB ALA 31 22.035 17.516 -9.424
238 HB2 ALA 31 2HB ALA 31 22.622 15.880 -9.119
239 HB3 ALA 31 3HB ALA 31 21.934 16.291 -10.689
240 H ASN 32 H ASN 32 21.239 14.234 -7.543
241 HA ASN 32 HA ASN 32 21.039 12.001 -9.265
242 HB2 ASN 32 2HB ASN 32 21.982 12.519 -6.642
243 HB3 ASN 32 3HB ASN 32 20.824 11.197 -6.520
244 HD21 ASN 32 1HD2 ASN 32 23.983 12.006 -7.141
245 HD22 ASN 32 2HD2 ASN 32 24.498 10.535 -7.887
246 H THR 33 H THR 33 18.741 13.670 -7.318
247 HA THR 33 HA THR 33 16.768 11.534 -7.808
248 HB THR 33 HB THR 33 15.491 12.588 -5.875
249 HG1 THR 33 HG1 THR 33 16.790 14.529 -5.821
250 HG21 THR 33 1HG2 THR 33 16.340 11.000 -4.516
251 HG22 THR 33 2HG2 THR 33 17.990 11.601 -4.678
252 HG23 THR 33 3HG2 THR 33 17.303 10.565 -5.928
253 H LYS 34 H LYS 34 17.662 14.046 -9.339
254 HA LYS 34 HA LYS 34 15.205 15.603 -9.380
255 HB2 LYS 34 2HB LYS 34 17.960 15.945 -10.358
256 HB3 LYS 34 3HB LYS 34 16.721 16.579 -11.433
257 HG2 LYS 34 2HG LYS 34 16.207 17.342 -8.700
258 HG3 LYS 34 3HG LYS 34 17.824 17.832 -9.211
259 HD2 LYS 34 2HD LYS 34 15.767 18.336 -11.221
260 HD3 LYS 34 3HD LYS 34 15.499 19.207 -9.709
261 HE2 LYS 34 2HE LYS 34 18.228 19.205 -10.903
262 HE3 LYS 34 3HE LYS 34 16.987 20.223 -11.632
263 HZ1 LYS 34 1HZ LYS 34 18.307 20.466 -9.050
264 HZ2 LYS 34 2HZ LYS 34 16.661 20.851 -9.084
265 HZ3 LYS 34 3HZ LYS 34 17.742 21.671 -10.095
266 H CYS 35 H CYS 35 14.520 16.250 -11.743
267 HA CYS 35 HA CYS 35 14.216 13.748 -13.271
268 HB2 CYS 35 2HB CYS 35 12.268 16.021 -12.865
269 HB3 CYS 35 3HB CYS 35 12.041 14.754 -14.066
270 H GLU 36 H GLU 36 14.676 13.761 -15.403
271 HA GLU 36 HA GLU 36 15.890 16.179 -16.482
272 HB2 GLU 36 2HB GLU 36 17.192 14.200 -16.777
273 HB3 GLU 36 3HB GLU 36 15.819 13.315 -17.427
274 HG2 GLU 36 2HG GLU 36 16.106 14.127 -19.495
275 HG3 GLU 36 3HG GLU 36 16.542 15.734 -18.918
276 H LYS 37 H LYS 37 13.068 14.186 -16.897
277 HA LYS 37 HA LYS 37 11.976 16.158 -18.750
278 HB2 LYS 37 2HB LYS 37 13.046 14.077 -19.935
279 HB3 LYS 37 3HB LYS 37 11.580 13.262 -19.406
280 HG2 LYS 37 2HG LYS 37 10.323 15.180 -20.535
281 HG3 LYS 37 3HG LYS 37 11.863 15.559 -21.310
282 HD2 LYS 37 2HD LYS 37 11.949 13.249 -22.186
283 HD3 LYS 37 3HD LYS 37 10.363 12.945 -21.474
284 HE2 LYS 37 2HE LYS 37 9.825 15.178 -22.872
285 HE3 LYS 37 3HE LYS 37 11.109 14.500 -23.873
286 HZ1 LYS 37 1HZ LYS 37 9.811 12.813 -24.540
287 HZ2 LYS 37 2HZ LYS 37 8.536 13.830 -24.091
288 HZ3 LYS 37 3HZ LYS 37 9.068 12.622 -23.032
289 H ASP 38 H ASP 38 9.749 16.357 -18.670
290 HA ASP 38 HA ASP 38 8.493 15.563 -16.262
291 HB2 ASP 38 2HB ASP 38 7.743 17.592 -17.213
292 HB3 ASP 38 3HB ASP 38 7.479 16.850 -18.789
293 H GLY 39 H GLY 39 6.787 14.119 -15.900
294 HA2 GLY 39 2HA GLY 39 5.250 12.431 -16.547
295 HA3 GLY 39 3HA GLY 39 6.117 12.260 -18.066
296 H ASN 40 H ASN 40 8.553 12.389 -15.996
297 HA ASN 40 HA ASN 40 9.248 9.702 -16.170
298 HB2 ASN 40 2HB ASN 40 10.388 12.064 -15.105
299 HB3 ASN 40 3HB ASN 40 10.442 10.854 -13.827
300 HD21 ASN 40 1HD2 ASN 40 11.418 11.607 -17.098
301 HD22 ASN 40 2HD2 ASN 40 12.710 10.463 -17.181
302 H LYS 41 H LYS 41 9.904 8.528 -13.946
303 HA LYS 41 HA LYS 41 7.380 7.829 -12.743
304 HB2 LYS 41 2HB LYS 41 9.925 6.583 -13.112
305 HB3 LYS 41 3HB LYS 41 9.540 6.561 -11.396
306 HG2 LYS 41 2HG LYS 41 7.842 5.471 -13.631
307 HG3 LYS 41 3HG LYS 41 8.753 4.539 -12.440
308 HD2 LYS 41 2HD LYS 41 7.289 6.007 -10.767
309 HD3 LYS 41 3HD LYS 41 6.197 6.019 -12.153
310 HE2 LYS 41 2HE LYS 41 7.284 3.624 -10.684
311 HE3 LYS 41 3HE LYS 41 5.608 4.165 -10.766
312 HZ1 LYS 41 1HZ LYS 41 5.696 2.449 -12.292
313 HZ2 LYS 41 2HZ LYS 41 7.233 2.871 -12.857
314 HZ3 LYS 41 3HZ LYS 41 5.891 3.811 -13.277
315 H CYS 42 H CYS 42 6.892 7.896 -10.514
316 HA CYS 42 HA CYS 42 8.629 9.387 -8.735
317 HB2 CYS 42 2HB CYS 42 7.227 11.071 -10.039
318 HB3 CYS 42 3HB CYS 42 5.829 10.410 -9.197
319 H THR 43 H THR 43 7.892 9.349 -6.513
320 HA THR 43 HA THR 43 5.775 7.401 -5.941
321 HB THR 43 HB THR 43 7.966 7.090 -4.075
322 HG1 THR 43 HG1 THR 43 8.948 7.583 -6.326
323 HG21 THR 43 1HG2 THR 43 6.386 5.392 -4.071
324 HG22 THR 43 2HG2 THR 43 7.693 4.675 -5.013
325 HG23 THR 43 3HG2 THR 43 6.282 5.346 -5.831
326 H TYR 44 H TYR 44 4.644 7.762 -4.071
327 HA TYR 44 HA TYR 44 5.546 9.927 -2.311
328 HB2 TYR 44 2HB TYR 44 4.057 11.141 -3.645
329 HB3 TYR 44 3HB TYR 44 2.950 9.784 -3.815
330 HD1 TYR 44 HD1 TYR 44 4.110 12.443 -1.539
331 HD2 TYR 44 HD2 TYR 44 1.229 9.384 -2.204
332 HE1 TYR 44 HE1 TYR 44 2.746 13.336 0.302
333 HE2 TYR 44 HE2 TYR 44 -0.144 10.269 -0.365
334 HH TYR 44 HH TYR 44 0.518 13.310 1.124
335 H ASP 45 H ASP 45 5.331 9.451 -0.221
336 HA ASP 45 HA ASP 45 3.834 7.034 0.496
337 HB2 ASP 45 2HB ASP 45 6.313 7.387 1.096
338 HB3 ASP 45 3HB ASP 45 5.723 8.523 2.307
339 H SER 46 H SER 46 1.930 7.201 1.461
340 HA SER 46 HA SER 46 0.978 9.776 2.365
341 HB2 SER 46 2HB SER 46 -1.172 8.627 2.683
342 HB3 SER 46 3HB SER 46 -0.506 8.289 1.085
343 HG SER 46 HG SER 46 -0.135 6.254 1.647
344 H TYR 47 H TYR 47 2.573 7.148 3.752
345 HA TYR 47 HA TYR 47 1.411 7.346 6.379
346 HB2 TYR 47 2HB TYR 47 2.424 5.245 5.434
347 HB3 TYR 47 3HB TYR 47 4.003 6.005 5.593
348 HD1 TYR 47 HD1 TYR 47 5.004 6.352 7.781
349 HD2 TYR 47 HD2 TYR 47 1.190 4.507 7.392
350 HE1 TYR 47 HE1 TYR 47 5.151 5.571 10.109
351 HE2 TYR 47 HE2 TYR 47 1.326 3.721 9.719
352 HH TYR 47 HH TYR 47 3.105 4.880 11.950
353 H ASN 48 H ASN 48 4.417 8.388 4.820
354 HA ASN 48 HA ASN 48 5.026 10.006 7.202
355 HB2 ASN 48 2HB ASN 48 7.258 10.033 5.502
356 HB3 ASN 48 3HB ASN 48 7.083 9.143 7.011
357 HD21 ASN 48 1HD2 ASN 48 7.696 8.891 3.766
358 HD22 ASN 48 2HD2 ASN 48 7.407 7.200 3.562
359 H ARG 49 H ARG 49 3.595 10.291 4.289
360 HA ARG 49 HA ARG 49 3.159 11.995 2.844
361 HB2 ARG 49 2HB ARG 49 4.012 13.738 5.162
362 HB3 ARG 49 3HB ARG 49 2.999 14.218 3.807
363 HG2 ARG 49 2HG ARG 49 1.632 12.076 4.797
364 HG3 ARG 49 3HG ARG 49 2.308 12.795 6.260
365 HD2 ARG 49 2HD ARG 49 0.620 14.175 4.177
366 HD3 ARG 49 3HD ARG 49 0.131 13.745 5.815
367 HE ARG 49 HE ARG 49 1.624 16.043 5.018
368 HH11 ARG 49 1HH1 ARG 49 1.129 13.773 7.611
369 HH12 ARG 49 2HH1 ARG 49 1.646 14.873 8.846
370 HH21 ARG 49 1HH2 ARG 49 2.306 17.500 6.635
371 HH22 ARG 49 2HH2 ARG 49 2.314 16.992 8.290
372 H LYS 50 H LYS 50 5.884 10.901 2.928
373 HA LYS 50 HA LYS 50 7.405 13.239 1.983
374 HB2 LYS 50 2HB LYS 50 8.702 12.321 3.675
375 HB3 LYS 50 3HB LYS 50 8.222 10.674 3.291
376 HG2 LYS 50 2HG LYS 50 9.772 10.462 1.620
377 HG3 LYS 50 3HG LYS 50 9.824 12.197 1.299
378 HD2 LYS 50 2HD LYS 50 11.160 12.607 3.206
379 HD3 LYS 50 3HD LYS 50 10.856 10.995 3.857
380 HE2 LYS 50 2HE LYS 50 13.052 10.959 2.972
381 HE3 LYS 50 3HE LYS 50 12.039 10.081 1.827
382 HZ1 LYS 50 1HZ LYS 50 11.885 12.225 0.561
383 HZ2 LYS 50 2HZ LYS 50 13.412 11.499 0.567
384 HZ3 LYS 50 3HZ LYS 50 13.106 12.832 1.562
385 H VAL 51 H VAL 51 8.338 13.228 -0.028
386 HA VAL 51 HA VAL 51 7.368 11.154 -1.856
387 HB VAL 51 HB VAL 51 8.711 13.732 -2.647
388 HG11 VAL 51 1HG1 VAL 51 6.707 12.048 -4.137
389 HG12 VAL 51 2HG1 VAL 51 7.674 13.384 -4.764
390 HG13 VAL 51 3HG1 VAL 51 8.453 11.869 -4.307
391 HG21 VAL 51 1HG2 VAL 51 5.765 13.257 -2.201
392 HG22 VAL 51 2HG2 VAL 51 6.810 14.279 -1.214
393 HG23 VAL 51 3HG2 VAL 51 6.483 14.713 -2.891
394 H LYS 52 H LYS 52 8.683 9.733 -2.812
395 HA LYS 52 HA LYS 52 11.589 10.113 -2.491
396 HB2 LYS 52 2HB LYS 52 10.834 8.244 -1.160
397 HB3 LYS 52 3HB LYS 52 9.966 7.564 -2.530
398 HG2 LYS 52 2HG LYS 52 11.982 6.324 -2.206
399 HG3 LYS 52 3HG LYS 52 12.136 7.265 -3.692
400 HD2 LYS 52 2HD LYS 52 13.915 8.352 -2.903
401 HD3 LYS 52 3HD LYS 52 13.076 8.761 -1.405
402 HE2 LYS 52 2HE LYS 52 14.100 5.986 -1.803
403 HE3 LYS 52 3HE LYS 52 15.229 7.267 -1.367
404 HZ1 LYS 52 1HZ LYS 52 13.902 5.842 0.422
405 HZ2 LYS 52 2HZ LYS 52 12.788 7.096 0.209
406 HZ3 LYS 52 3HZ LYS 52 14.370 7.445 0.697
407 H CYS 53 H CYS 53 12.613 10.508 -4.328
408 HA CYS 53 HA CYS 53 11.651 9.214 -6.790
409 HB2 CYS 53 2HB CYS 53 12.892 11.934 -6.911
410 HB3 CYS 53 3HB CYS 53 11.773 11.167 -8.033
411 H ASP 54 H ASP 54 13.197 8.436 -8.162
412 HA ASP 54 HA ASP 54 16.009 8.977 -7.551
413 HB2 ASP 54 2HB ASP 54 15.896 6.991 -6.376
414 HB3 ASP 54 3HB ASP 54 14.637 6.327 -7.413
415 H PHE 55 H PHE 55 17.428 8.698 -9.287
416 HA PHE 55 HA PHE 55 16.173 8.126 -11.887
417 HB2 PHE 55 2HB PHE 55 17.335 10.607 -10.978
418 HB3 PHE 55 3HB PHE 55 18.231 9.983 -12.359
419 HD1 PHE 55 HD1 PHE 55 14.611 9.987 -11.455
420 HD2 PHE 55 HD2 PHE 55 17.609 11.088 -14.269
421 HE1 PHE 55 HE1 PHE 55 12.872 10.849 -12.967
422 HE2 PHE 55 HE2 PHE 55 15.875 11.952 -15.784
423 HZ PHE 55 HZ PHE 55 13.502 11.834 -15.134
424 H ARG 56 H ARG 56 17.706 7.511 -13.579
425 HA ARG 56 HA ARG 56 20.224 6.406 -12.541
426 HB2 ARG 56 2HB ARG 56 19.776 4.415 -14.085
427 HB3 ARG 56 3HB ARG 56 18.863 4.491 -12.584
428 HG2 ARG 56 2HG ARG 56 17.528 5.798 -14.824
429 HG3 ARG 56 3HG ARG 56 17.813 4.074 -15.071
430 HD2 ARG 56 2HD ARG 56 16.633 5.110 -12.516
431 HD3 ARG 56 3HD ARG 56 15.625 4.807 -13.931
432 HE ARG 56 HE ARG 56 17.250 2.558 -13.330
433 HH11 ARG 56 1HH1 ARG 56 14.387 4.256 -12.310
434 HH12 ARG 56 2HH1 ARG 56 13.638 2.850 -11.629
435 HH21 ARG 56 1HH2 ARG 56 16.274 0.700 -12.437
436 HH22 ARG 56 2HH2 ARG 56 14.712 0.828 -11.701
437 H HIS 57 H HIS 57 21.911 6.225 -14.046
438 HA HIS 57 HA HIS 57 23.185 6.842 -15.827
439 HB2 HIS 57 2HB HIS 57 21.042 5.645 -16.935
440 HB3 HIS 57 3HB HIS 57 20.864 7.255 -17.628
441 HD1 HIS 57 HD1 HIS 57 23.075 8.140 -18.949
442 HD2 HIS 57 HD2 HIS 57 22.811 4.054 -18.244
443 HE1 HIS 57 HE1 HIS 57 24.699 7.075 -20.547
Start of MODEL 17
1 H1 LEU 1 H LEU 1 3.960 -1.275 -2.036
2 HA LEU 1 HA LEU 1 1.691 -1.007 -2.696
3 HB2 LEU 1 2HB LEU 1 1.434 -0.404 0.219
4 HB3 LEU 1 3HB LEU 1 0.211 0.181 -0.907
5 HG LEU 1 HG LEU 1 -0.514 -1.881 0.136
6 HD11 LEU 1 1HD1 LEU 1 0.249 -2.549 -2.691
7 HD12 LEU 1 2HD1 LEU 1 -0.991 -1.357 -2.302
8 HD13 LEU 1 3HD1 LEU 1 -1.191 -3.034 -1.795
9 HD21 LEU 1 1HD2 LEU 1 1.857 -2.707 0.511
10 HD22 LEU 1 2HD2 LEU 1 1.813 -3.278 -1.157
11 HD23 LEU 1 3HD2 LEU 1 0.667 -3.915 0.024
12 H GLU 2 H GLU 2 4.144 0.687 -2.588
13 HA GLU 2 HA GLU 2 3.611 3.360 -2.095
14 HB2 GLU 2 2HB GLU 2 5.452 1.936 -3.975
15 HB3 GLU 2 3HB GLU 2 5.289 3.683 -4.095
16 HG2 GLU 2 2HG GLU 2 6.835 3.845 -2.522
17 HG3 GLU 2 3HG GLU 2 5.649 3.205 -1.385
18 H TYR 3 H TYR 3 2.892 5.081 -3.366
19 HA TYR 3 HA TYR 3 0.852 4.365 -5.284
20 HB2 TYR 3 2HB TYR 3 1.695 6.927 -3.960
21 HB3 TYR 3 3HB TYR 3 0.588 6.947 -5.328
22 HD1 TYR 3 HD1 TYR 3 0.663 7.113 -1.916
23 HD2 TYR 3 HD2 TYR 3 -1.321 4.975 -5.013
24 HE1 TYR 3 HE1 TYR 3 -1.215 6.663 -0.393
25 HE2 TYR 3 HE2 TYR 3 -3.206 4.520 -3.500
26 HH TYR 3 HH TYR 3 -3.283 4.430 -0.634
27 H LYS 4 H LYS 4 0.832 4.809 -7.446
28 HA LYS 4 HA LYS 4 3.408 5.231 -8.692
29 HB2 LYS 4 2HB LYS 4 0.672 4.508 -9.701
30 HB3 LYS 4 3HB LYS 4 1.947 4.975 -10.818
31 HG2 LYS 4 2HG LYS 4 3.329 3.151 -9.587
32 HG3 LYS 4 3HG LYS 4 1.746 2.560 -9.078
33 HD2 LYS 4 2HD LYS 4 1.282 2.916 -11.703
34 HD3 LYS 4 3HD LYS 4 3.010 2.559 -11.750
35 HE2 LYS 4 2HE LYS 4 1.182 0.829 -10.141
36 HE3 LYS 4 3HE LYS 4 1.257 0.626 -11.891
37 HZ1 LYS 4 1HZ LYS 4 2.797 -0.830 -10.643
38 HZ2 LYS 4 2HZ LYS 4 3.627 0.543 -10.106
39 HZ3 LYS 4 3HZ LYS 4 3.582 0.173 -11.757
40 H GLY 5 H GLY 5 4.131 7.255 -8.868
41 HA2 GLY 5 2HA GLY 5 2.291 9.268 -9.985
42 HA3 GLY 5 3HA GLY 5 3.273 9.656 -8.580
43 H GLU 6 H GLU 6 3.317 11.045 -11.064
44 HA GLU 6 HA GLU 6 5.973 10.322 -12.107
45 HB2 GLU 6 2HB GLU 6 4.029 12.186 -13.452
46 HB3 GLU 6 3HB GLU 6 5.406 11.351 -14.158
47 HG2 GLU 6 2HG GLU 6 2.807 10.132 -13.264
48 HG3 GLU 6 3HG GLU 6 3.392 10.312 -14.917
49 H CYS 7 H CYS 7 7.259 12.256 -12.890
50 HA CYS 7 HA CYS 7 6.988 14.476 -10.970
51 HB2 CYS 7 2HB CYS 7 9.212 14.412 -10.463
52 HB3 CYS 7 3HB CYS 7 9.001 12.715 -10.881
53 H PHE 8 H PHE 8 8.310 16.443 -11.735
54 HA PHE 8 HA PHE 8 7.734 16.860 -14.593
55 HB2 PHE 8 2HB PHE 8 7.051 18.388 -12.251
56 HB3 PHE 8 3HB PHE 8 8.047 19.362 -13.328
57 HD1 PHE 8 HD1 PHE 8 7.282 19.890 -15.589
58 HD2 PHE 8 HD2 PHE 8 4.833 17.735 -12.856
59 HE1 PHE 8 HE1 PHE 8 5.317 20.344 -16.998
60 HE2 PHE 8 HE2 PHE 8 2.864 18.185 -14.260
61 HZ PHE 8 HZ PHE 8 3.104 19.490 -16.335
62 H THR 9 H THR 9 9.095 18.777 -15.481
63 HA THR 9 HA THR 9 11.720 18.000 -15.728
64 HB THR 9 HB THR 9 11.702 20.830 -15.995
65 HG1 THR 9 HG1 THR 9 9.805 20.761 -17.549
66 HG21 THR 9 1HG2 THR 9 12.517 18.657 -17.431
67 HG22 THR 9 2HG2 THR 9 12.503 20.314 -18.035
68 HG23 THR 9 3HG2 THR 9 11.158 19.232 -18.395
69 H LYS 10 H LYS 10 13.508 19.904 -15.246
70 HA LYS 10 HA LYS 10 14.286 19.552 -12.619
71 HB2 LYS 10 2HB LYS 10 15.385 20.729 -14.838
72 HB3 LYS 10 3HB LYS 10 15.144 22.112 -13.778
73 HG2 LYS 10 2HG LYS 10 17.241 21.483 -13.151
74 HG3 LYS 10 3HG LYS 10 16.283 20.539 -12.007
75 HD2 LYS 10 2HD LYS 10 16.778 18.561 -13.017
76 HD3 LYS 10 3HD LYS 10 16.883 19.283 -14.624
77 HE2 LYS 10 2HE LYS 10 19.026 20.386 -13.820
78 HE3 LYS 10 3HE LYS 10 18.941 19.305 -12.430
79 HZ1 LYS 10 1HZ LYS 10 20.328 18.306 -14.061
80 HZ2 LYS 10 2HZ LYS 10 19.184 18.536 -15.285
81 HZ3 LYS 10 3HZ LYS 10 18.879 17.432 -14.040
82 H ASP 11 H ASP 11 11.663 21.276 -13.633
83 HA ASP 11 HA ASP 11 11.740 23.547 -11.940
84 HB2 ASP 11 2HB ASP 11 9.799 22.245 -13.697
85 HB3 ASP 11 3HB ASP 11 9.057 22.977 -12.277
86 H ASN 12 H ASN 12 11.660 20.350 -11.150
87 HA ASN 12 HA ASN 12 11.187 19.175 -9.260
88 HB2 ASN 12 2HB ASN 12 11.632 21.950 -8.326
89 HB3 ASN 12 3HB ASN 12 10.818 20.877 -7.191
90 HD21 ASN 12 1HD2 ASN 12 12.002 18.491 -7.653
91 HD22 ASN 12 2HD2 ASN 12 13.684 18.572 -7.268
92 H THR 13 H THR 13 9.231 18.273 -9.734
93 HA THR 13 HA THR 13 6.978 19.147 -8.225
94 HB THR 13 HB THR 13 5.865 19.039 -10.842
95 HG1 THR 13 HG1 THR 13 8.181 19.862 -11.214
96 HG21 THR 13 1HG2 THR 13 6.177 21.407 -8.995
97 HG22 THR 13 2HG2 THR 13 4.945 20.157 -8.818
98 HG23 THR 13 3HG2 THR 13 4.954 21.190 -10.247
99 H CYS 14 H CYS 14 5.324 17.598 -8.137
100 HA CYS 14 HA CYS 14 5.612 15.188 -9.757
101 HB2 CYS 14 2HB CYS 14 6.033 15.340 -6.799
102 HB3 CYS 14 3HB CYS 14 5.280 13.901 -7.480
103 H LYS 15 H LYS 15 3.722 14.065 -10.052
104 HA LYS 15 HA LYS 15 1.343 15.019 -8.613
105 HB2 LYS 15 2HB LYS 15 1.348 16.163 -10.751
106 HB3 LYS 15 3HB LYS 15 1.602 14.645 -11.602
107 HG2 LYS 15 2HG LYS 15 -0.567 14.016 -11.418
108 HG3 LYS 15 3HG LYS 15 -0.789 14.832 -9.868
109 HD2 LYS 15 2HD LYS 15 -0.274 16.848 -11.760
110 HD3 LYS 15 3HD LYS 15 -1.431 15.747 -12.511
111 HE2 LYS 15 2HE LYS 15 -3.033 16.116 -10.879
112 HE3 LYS 15 3HE LYS 15 -1.848 16.669 -9.697
113 HZ1 LYS 15 1HZ LYS 15 -2.645 18.167 -12.134
114 HZ2 LYS 15 2HZ LYS 15 -1.574 18.701 -10.939
115 HZ3 LYS 15 3HZ LYS 15 -3.211 18.484 -10.572
116 H TYR 16 H TYR 16 0.587 13.320 -7.540
117 HA TYR 16 HA TYR 16 0.663 10.682 -8.850
118 HB2 TYR 16 2HB TYR 16 0.608 9.713 -6.584
119 HB3 TYR 16 3HB TYR 16 2.008 10.754 -6.815
120 HD1 TYR 16 HD1 TYR 16 -0.873 10.083 -4.807
121 HD2 TYR 16 HD2 TYR 16 1.882 13.136 -5.899
122 HE1 TYR 16 HE1 TYR 16 -1.499 11.358 -2.799
123 HE2 TYR 16 HE2 TYR 16 1.264 14.419 -3.894
124 HH TYR 16 HH TYR 16 -1.358 13.381 -1.784
125 H LYS 17 H LYS 17 -1.108 9.185 -7.928
126 HA LYS 17 HA LYS 17 -3.625 10.657 -7.569
127 HB2 LYS 17 2HB LYS 17 -3.613 10.093 -9.893
128 HB3 LYS 17 3HB LYS 17 -3.074 8.454 -9.555
129 HG2 LYS 17 2HG LYS 17 -5.203 7.938 -8.518
130 HG3 LYS 17 3HG LYS 17 -5.746 9.599 -8.767
131 HD2 LYS 17 2HD LYS 17 -6.092 9.294 -10.998
132 HD3 LYS 17 3HD LYS 17 -4.792 8.109 -11.148
133 HE2 LYS 17 2HE LYS 17 -6.533 6.777 -9.550
134 HE3 LYS 17 3HE LYS 17 -7.643 7.732 -10.531
135 HZ1 LYS 17 1HZ LYS 17 -7.240 6.481 -12.312
136 HZ2 LYS 17 2HZ LYS 17 -6.537 5.365 -11.253
137 HZ3 LYS 17 3HZ LYS 17 -5.566 6.485 -12.069
138 H ILE 18 H ILE 18 -5.016 9.788 -6.122
139 HA ILE 18 HA ILE 18 -4.406 7.107 -5.071
140 HB ILE 18 HB ILE 18 -5.155 9.515 -3.407
141 HG12 ILE 18 2HG1 ILE 18 -2.564 7.994 -3.726
142 HG13 ILE 18 3HG1 ILE 18 -2.855 9.696 -4.068
143 HG21 ILE 18 1HG2 ILE 18 -6.129 7.457 -2.545
144 HG22 ILE 18 2HG2 ILE 18 -4.549 6.677 -2.589
145 HG23 ILE 18 3HG2 ILE 18 -4.835 8.026 -1.490
146 HD11 ILE 18 1HD1 ILE 18 -2.840 8.382 -1.363
147 HD12 ILE 18 2HD1 ILE 18 -1.626 9.481 -2.020
148 HD13 ILE 18 3HD1 ILE 18 -3.249 10.071 -1.664
149 H ASP 19 H ASP 19 -6.156 5.890 -4.359
150 HA ASP 19 HA ASP 19 -8.535 6.072 -5.719
151 HB2 ASP 19 2HB ASP 19 -8.146 4.856 -2.976
152 HB3 ASP 19 3HB ASP 19 -9.450 4.481 -4.100
153 H GLY 20 H GLY 20 -10.101 7.536 -5.689
154 HA2 GLY 20 2HA GLY 20 -11.926 8.515 -4.398
155 HA3 GLY 20 3HA GLY 20 -10.767 8.811 -3.110
156 H LYS 21 H LYS 21 -9.051 10.386 -3.540
157 HA LYS 21 HA LYS 21 -9.850 12.399 -5.536
158 HB2 LYS 21 2HB LYS 21 -9.125 12.770 -2.641
159 HB3 LYS 21 3HB LYS 21 -8.923 14.077 -3.800
160 HG2 LYS 21 2HG LYS 21 -11.515 12.653 -3.236
161 HG3 LYS 21 3HG LYS 21 -11.041 14.215 -2.565
162 HD2 LYS 21 2HD LYS 21 -11.411 13.571 -5.491
163 HD3 LYS 21 3HD LYS 21 -12.520 14.504 -4.483
164 HE2 LYS 21 2HE LYS 21 -10.235 15.865 -4.061
165 HE3 LYS 21 3HE LYS 21 -9.941 15.275 -5.696
166 HZ1 LYS 21 1HZ LYS 21 -11.009 17.290 -6.017
167 HZ2 LYS 21 2HZ LYS 21 -12.089 17.056 -4.737
168 HZ3 LYS 21 3HZ LYS 21 -12.274 16.177 -6.171
169 H THR 22 H THR 22 -8.169 13.665 -6.424
170 HA THR 22 HA THR 22 -5.555 12.343 -6.312
171 HB THR 22 HB THR 22 -6.634 14.312 -8.339
172 HG1 THR 22 HG1 THR 22 -7.602 12.505 -8.940
173 HG21 THR 22 1HG2 THR 22 -4.178 14.404 -8.084
174 HG22 THR 22 2HG2 THR 22 -4.667 13.770 -9.656
175 HG23 THR 22 3HG2 THR 22 -4.099 12.671 -8.399
176 H TYR 23 H TYR 23 -3.687 13.414 -5.804
177 HA TYR 23 HA TYR 23 -3.897 16.253 -5.077
178 HB2 TYR 23 2HB TYR 23 -2.255 14.413 -3.380
179 HB3 TYR 23 3HB TYR 23 -2.979 15.963 -2.966
180 HD1 TYR 23 HD1 TYR 23 -3.684 12.376 -3.500
181 HD2 TYR 23 HD2 TYR 23 -5.175 16.090 -2.056
182 HE1 TYR 23 HE1 TYR 23 -5.576 11.203 -2.455
183 HE2 TYR 23 HE2 TYR 23 -7.071 14.927 -1.006
184 HH TYR 23 HH TYR 23 -7.368 11.393 -1.152
185 H LEU 24 H LEU 24 -1.660 17.202 -4.683
186 HA LEU 24 HA LEU 24 0.180 16.136 -6.720
187 HB2 LEU 24 2HB LEU 24 -0.863 18.399 -7.091
188 HB3 LEU 24 3HB LEU 24 0.055 18.965 -5.698
189 HG LEU 24 HG LEU 24 2.116 18.117 -7.036
190 HD11 LEU 24 1HD1 LEU 24 0.732 16.988 -8.765
191 HD12 LEU 24 2HD1 LEU 24 1.885 18.150 -9.420
192 HD13 LEU 24 3HD1 LEU 24 0.178 18.575 -9.297
193 HD21 LEU 24 1HD2 LEU 24 0.527 20.596 -7.650
194 HD22 LEU 24 2HD2 LEU 24 2.147 20.316 -8.290
195 HD23 LEU 24 3HD2 LEU 24 1.892 20.416 -6.547
196 H ALA 25 H ALA 25 2.427 16.185 -6.315
197 HA ALA 25 HA ALA 25 3.185 16.545 -3.492
198 HB1 ALA 25 1HB ALA 25 3.370 14.140 -5.150
199 HB2 ALA 25 2HB ALA 25 4.864 14.561 -4.313
200 HB3 ALA 25 3HB ALA 25 3.379 14.315 -3.395
201 H LYS 26 H LYS 26 5.358 17.147 -3.111
202 HA LYS 26 HA LYS 26 6.691 18.309 -5.466
203 HB2 LYS 26 2HB LYS 26 5.774 19.726 -3.409
204 HB3 LYS 26 3HB LYS 26 7.321 19.260 -2.713
205 HG2 LYS 26 2HG LYS 26 7.132 20.523 -5.425
206 HG3 LYS 26 3HG LYS 26 7.196 21.485 -3.947
207 HD2 LYS 26 2HD LYS 26 9.238 19.537 -3.770
208 HD3 LYS 26 3HD LYS 26 9.336 20.252 -5.380
209 HE2 LYS 26 2HE LYS 26 9.835 22.334 -4.573
210 HE3 LYS 26 3HE LYS 26 8.978 22.071 -3.055
211 HZ1 LYS 26 1HZ LYS 26 11.284 22.117 -2.580
212 HZ2 LYS 26 2HZ LYS 26 11.646 21.025 -3.820
213 HZ3 LYS 26 3HZ LYS 26 10.800 20.501 -2.452
214 H CYS 27 H CYS 27 8.879 18.014 -5.754
215 HA CYS 27 HA CYS 27 10.129 16.010 -3.992
216 HB2 CYS 27 2HB CYS 27 10.204 16.424 -6.950
217 HB3 CYS 27 3HB CYS 27 11.622 15.741 -6.161
218 HA PRO 28 HA PRO 28 13.349 18.808 -2.963
219 HB2 PRO 28 2HB PRO 28 15.475 17.132 -2.764
220 HB3 PRO 28 3HB PRO 28 14.169 17.173 -1.573
221 HG2 PRO 28 2HG PRO 28 14.600 15.274 -3.846
222 HG3 PRO 28 3HG PRO 28 14.091 14.930 -2.183
223 HD2 PRO 28 2HD PRO 28 12.342 15.048 -4.247
224 HD3 PRO 28 3HD PRO 28 11.904 15.530 -2.595
225 H SER 29 H SER 29 15.254 19.842 -3.731
226 HA SER 29 HA SER 29 15.500 19.797 -6.592
227 HB2 SER 29 2HB SER 29 17.506 21.447 -5.768
228 HB3 SER 29 3HB SER 29 15.833 21.958 -5.989
229 HG SER 29 HG SER 29 15.528 21.956 -3.859
230 H ALA 30 H ALA 30 16.748 17.843 -4.290
231 HA ALA 30 HA ALA 30 19.442 17.593 -4.628
232 HB1 ALA 30 1HB ALA 30 17.290 15.855 -3.808
233 HB2 ALA 30 2HB ALA 30 18.550 14.956 -4.655
234 HB3 ALA 30 3HB ALA 30 18.959 15.926 -3.240
235 H ALA 31 H ALA 31 20.772 17.208 -6.271
236 HA ALA 31 HA ALA 31 19.973 17.016 -8.919
237 HB1 ALA 31 1HB ALA 31 22.553 15.748 -8.293
238 HB2 ALA 31 2HB ALA 31 22.170 17.062 -9.407
239 HB3 ALA 31 3HB ALA 31 22.344 17.390 -7.682
240 H ASN 32 H ASN 32 20.687 14.463 -6.598
241 HA ASN 32 HA ASN 32 20.310 12.391 -8.598
242 HB2 ASN 32 2HB ASN 32 21.906 12.467 -6.438
243 HB3 ASN 32 3HB ASN 32 20.498 11.693 -5.717
244 HD21 ASN 32 1HD2 ASN 32 22.942 11.443 -8.203
245 HD22 ASN 32 2HD2 ASN 32 22.798 9.738 -8.443
246 H THR 33 H THR 33 18.354 14.246 -6.634
247 HA THR 33 HA THR 33 16.242 12.189 -6.634
248 HB THR 33 HB THR 33 16.146 14.553 -4.793
249 HG1 THR 33 HG1 THR 33 17.736 12.230 -4.533
250 HG21 THR 33 1HG2 THR 33 14.733 13.161 -3.481
251 HG22 THR 33 2HG2 THR 33 15.189 11.723 -4.393
252 HG23 THR 33 3HG2 THR 33 14.206 12.974 -5.153
253 H LYS 34 H LYS 34 17.104 14.382 -8.595
254 HA LYS 34 HA LYS 34 14.474 15.694 -8.814
255 HB2 LYS 34 2HB LYS 34 15.622 17.508 -10.038
256 HB3 LYS 34 3HB LYS 34 16.212 17.333 -8.390
257 HG2 LYS 34 2HG LYS 34 18.172 17.595 -9.544
258 HG3 LYS 34 3HG LYS 34 18.034 15.835 -9.504
259 HD2 LYS 34 2HD LYS 34 16.644 16.920 -11.785
260 HD3 LYS 34 3HD LYS 34 18.322 17.466 -11.759
261 HE2 LYS 34 2HE LYS 34 18.039 14.643 -11.109
262 HE3 LYS 34 3HE LYS 34 17.408 15.041 -12.706
263 HZ1 LYS 34 1HZ LYS 34 19.782 16.379 -12.565
264 HZ2 LYS 34 2HZ LYS 34 19.505 14.929 -13.389
265 HZ3 LYS 34 3HZ LYS 34 20.117 14.901 -11.813
266 H CYS 35 H CYS 35 14.165 16.465 -11.220
267 HA CYS 35 HA CYS 35 14.858 14.207 -12.983
268 HB2 CYS 35 2HB CYS 35 12.259 15.752 -12.872
269 HB3 CYS 35 3HB CYS 35 12.654 14.535 -14.080
270 H GLU 36 H GLU 36 15.557 14.675 -15.010
271 HA GLU 36 HA GLU 36 16.185 17.462 -15.556
272 HB2 GLU 36 2HB GLU 36 17.726 16.671 -17.168
273 HB3 GLU 36 3HB GLU 36 17.854 15.567 -15.806
274 HG2 GLU 36 2HG GLU 36 17.523 13.884 -17.193
275 HG3 GLU 36 3HG GLU 36 15.893 14.487 -17.489
276 H LYS 37 H LYS 37 13.860 15.137 -16.434
277 HA LYS 37 HA LYS 37 12.777 16.963 -18.443
278 HB2 LYS 37 2HB LYS 37 14.178 14.881 -19.354
279 HB3 LYS 37 3HB LYS 37 12.645 14.060 -19.089
280 HG2 LYS 37 2HG LYS 37 11.517 15.588 -20.569
281 HG3 LYS 37 3HG LYS 37 12.991 16.541 -20.760
282 HD2 LYS 37 2HD LYS 37 13.297 13.688 -21.373
283 HD3 LYS 37 3HD LYS 37 12.189 14.551 -22.442
284 HE2 LYS 37 2HE LYS 37 14.048 16.306 -22.629
285 HE3 LYS 37 3HE LYS 37 15.100 15.078 -21.927
286 HZ1 LYS 37 1HZ LYS 37 14.755 13.661 -23.753
287 HZ2 LYS 37 2HZ LYS 37 15.034 15.188 -24.424
288 HZ3 LYS 37 3HZ LYS 37 13.459 14.576 -24.341
289 H ASP 38 H ASP 38 10.690 17.318 -18.085
290 HA ASP 38 HA ASP 38 9.253 16.227 -15.985
291 HB2 ASP 38 2HB ASP 38 7.401 17.432 -16.768
292 HB3 ASP 38 3HB ASP 38 8.777 18.339 -17.390
293 H GLY 39 H GLY 39 7.541 14.728 -15.862
294 HA2 GLY 39 2HA GLY 39 6.130 13.036 -16.751
295 HA3 GLY 39 3HA GLY 39 7.169 12.952 -18.166
296 H ASN 40 H ASN 40 9.405 13.041 -15.931
297 HA ASN 40 HA ASN 40 10.130 10.361 -16.088
298 HB2 ASN 40 2HB ASN 40 11.171 12.719 -14.908
299 HB3 ASN 40 3HB ASN 40 11.158 11.480 -13.657
300 HD21 ASN 40 1HD2 ASN 40 12.414 12.410 -16.761
301 HD22 ASN 40 2HD2 ASN 40 13.690 11.246 -16.818
302 H LYS 41 H LYS 41 10.641 9.164 -13.838
303 HA LYS 41 HA LYS 41 8.038 8.456 -12.808
304 HB2 LYS 41 2HB LYS 41 10.556 7.168 -13.099
305 HB3 LYS 41 3HB LYS 41 10.144 7.146 -11.389
306 HG2 LYS 41 2HG LYS 41 8.424 6.122 -13.638
307 HG3 LYS 41 3HG LYS 41 9.352 5.142 -12.501
308 HD2 LYS 41 2HD LYS 41 7.936 6.580 -10.752
309 HD3 LYS 41 3HD LYS 41 6.812 6.621 -12.113
310 HE2 LYS 41 2HE LYS 41 6.248 4.475 -11.840
311 HE3 LYS 41 3HE LYS 41 7.927 3.973 -11.644
312 HZ1 LYS 41 1HZ LYS 41 6.033 4.913 -9.585
313 HZ2 LYS 41 2HZ LYS 41 7.703 4.982 -9.322
314 HZ3 LYS 41 3HZ LYS 41 6.953 3.493 -9.610
315 H CYS 42 H CYS 42 7.446 8.457 -10.596
316 HA CYS 42 HA CYS 42 9.094 9.972 -8.737
317 HB2 CYS 42 2HB CYS 42 7.595 11.587 -10.020
318 HB3 CYS 42 3HB CYS 42 6.236 10.813 -9.210
319 H THR 43 H THR 43 8.324 9.843 -6.524
320 HA THR 43 HA THR 43 6.340 7.743 -6.023
321 HB THR 43 HB THR 43 8.396 7.420 -4.088
322 HG1 THR 43 HG1 THR 43 9.440 6.927 -6.666
323 HG21 THR 43 1HG2 THR 43 8.547 5.143 -5.278
324 HG22 THR 43 2HG2 THR 43 7.248 5.750 -6.305
325 HG23 THR 43 3HG2 THR 43 7.002 5.602 -4.565
326 H TYR 44 H TYR 44 5.173 7.983 -4.154
327 HA TYR 44 HA TYR 44 5.905 10.190 -2.361
328 HB2 TYR 44 2HB TYR 44 4.288 11.295 -3.609
329 HB3 TYR 44 3HB TYR 44 3.348 9.831 -3.879
330 HD1 TYR 44 HD1 TYR 44 1.326 9.700 -2.788
331 HD2 TYR 44 HD2 TYR 44 4.476 11.922 -0.987
332 HE1 TYR 44 HE1 TYR 44 -0.175 10.319 -0.941
333 HE2 TYR 44 HE2 TYR 44 2.984 12.546 0.866
334 HH TYR 44 HH TYR 44 -0.035 12.592 0.860
335 H ASP 45 H ASP 45 5.934 9.545 -0.320
336 HA ASP 45 HA ASP 45 4.588 7.051 0.403
337 HB2 ASP 45 2HB ASP 45 7.059 7.512 0.901
338 HB3 ASP 45 3HB ASP 45 6.483 8.617 2.145
339 H SER 46 H SER 46 2.654 7.150 1.312
340 HA SER 46 HA SER 46 1.640 9.613 2.408
341 HB2 SER 46 2HB SER 46 -0.456 8.385 2.693
342 HB3 SER 46 3HB SER 46 0.201 8.100 1.082
343 HG SER 46 HG SER 46 -0.546 6.263 2.656
344 H TYR 47 H TYR 47 3.270 6.878 3.616
345 HA TYR 47 HA TYR 47 2.202 6.864 6.257
346 HB2 TYR 47 2HB TYR 47 3.418 4.950 5.163
347 HB3 TYR 47 3HB TYR 47 4.911 5.856 5.376
348 HD1 TYR 47 HD1 TYR 47 5.801 6.265 7.641
349 HD2 TYR 47 HD2 TYR 47 2.366 3.836 7.007
350 HE1 TYR 47 HE1 TYR 47 6.043 5.342 9.907
351 HE2 TYR 47 HE2 TYR 47 2.598 2.907 9.272
352 HH TYR 47 HH TYR 47 3.769 2.911 11.153
353 H ASN 48 H ASN 48 5.067 8.319 4.765
354 HA ASN 48 HA ASN 48 5.534 9.818 7.254
355 HB2 ASN 48 2HB ASN 48 7.719 10.189 5.511
356 HB3 ASN 48 3HB ASN 48 7.676 9.231 6.988
357 HD21 ASN 48 1HD2 ASN 48 8.264 9.161 3.737
358 HD22 ASN 48 2HD2 ASN 48 8.147 7.458 3.469
359 H ARG 49 H ARG 49 4.037 10.161 4.382
360 HA ARG 49 HA ARG 49 3.359 11.918 3.106
361 HB2 ARG 49 2HB ARG 49 4.238 13.645 5.422
362 HB3 ARG 49 3HB ARG 49 3.024 14.023 4.208
363 HG2 ARG 49 2HG ARG 49 1.818 11.918 5.131
364 HG3 ARG 49 3HG ARG 49 2.854 12.168 6.537
365 HD2 ARG 49 2HD ARG 49 1.683 14.657 5.711
366 HD3 ARG 49 3HD ARG 49 0.426 13.442 5.940
367 HE ARG 49 HE ARG 49 2.064 13.253 8.145
368 HH11 ARG 49 1HH1 ARG 49 0.098 15.709 6.654
369 HH12 ARG 49 2HH1 ARG 49 -0.251 16.519 8.145
370 HH21 ARG 49 1HH2 ARG 49 1.612 14.311 10.115
371 HH22 ARG 49 2HH2 ARG 49 0.611 15.724 10.113
372 H LYS 50 H LYS 50 6.184 11.041 3.024
373 HA LYS 50 HA LYS 50 7.448 13.535 2.100
374 HB2 LYS 50 2HB LYS 50 8.878 12.655 3.719
375 HB3 LYS 50 3HB LYS 50 8.563 10.993 3.235
376 HG2 LYS 50 2HG LYS 50 10.160 11.010 1.651
377 HG3 LYS 50 3HG LYS 50 9.843 12.687 1.198
378 HD2 LYS 50 2HD LYS 50 11.494 13.434 2.499
379 HD3 LYS 50 3HD LYS 50 10.926 12.489 3.877
380 HE2 LYS 50 2HE LYS 50 13.044 11.623 3.479
381 HE3 LYS 50 3HE LYS 50 11.985 10.483 2.652
382 HZ1 LYS 50 1HZ LYS 50 13.601 10.882 1.086
383 HZ2 LYS 50 2HZ LYS 50 13.779 12.512 1.503
384 HZ3 LYS 50 3HZ LYS 50 12.422 12.006 0.628
385 H VAL 51 H VAL 51 8.102 13.732 0.023
386 HA VAL 51 HA VAL 51 7.436 11.515 -1.786
387 HB VAL 51 HB VAL 51 7.879 14.423 -2.473
388 HG11 VAL 51 1HG1 VAL 51 8.301 12.688 -4.257
389 HG12 VAL 51 2HG1 VAL 51 6.587 12.284 -4.150
390 HG13 VAL 51 3HG1 VAL 51 7.084 13.904 -4.642
391 HG21 VAL 51 1HG2 VAL 51 5.224 13.033 -2.467
392 HG22 VAL 51 2HG2 VAL 51 5.854 13.793 -1.006
393 HG23 VAL 51 3HG2 VAL 51 5.574 14.761 -2.453
394 H LYS 52 H LYS 52 9.009 10.415 -2.743
395 HA LYS 52 HA LYS 52 11.691 11.631 -2.878
396 HB2 LYS 52 2HB LYS 52 11.599 9.752 -1.303
397 HB3 LYS 52 3HB LYS 52 10.962 8.711 -2.569
398 HG2 LYS 52 2HG LYS 52 13.054 9.035 -3.840
399 HG3 LYS 52 3HG LYS 52 13.690 9.984 -2.494
400 HD2 LYS 52 2HD LYS 52 14.363 8.113 -1.502
401 HD3 LYS 52 3HD LYS 52 12.691 7.551 -1.436
402 HE2 LYS 52 2HE LYS 52 12.908 6.563 -3.639
403 HE3 LYS 52 3HE LYS 52 14.547 7.195 -3.788
404 HZ1 LYS 52 1HZ LYS 52 13.823 4.751 -2.779
405 HZ2 LYS 52 2HZ LYS 52 14.228 5.659 -1.411
406 HZ3 LYS 52 3HZ LYS 52 15.348 5.474 -2.665
407 H CYS 53 H CYS 53 12.665 11.739 -4.813
408 HA CYS 53 HA CYS 53 11.361 10.368 -7.074
409 HB2 CYS 53 2HB CYS 53 12.627 13.094 -6.884
410 HB3 CYS 53 3HB CYS 53 12.409 12.288 -8.434
411 H ASP 54 H ASP 54 12.612 9.272 -8.521
412 HA ASP 54 HA ASP 54 15.522 9.381 -8.232
413 HB2 ASP 54 2HB ASP 54 15.154 7.531 -6.857
414 HB3 ASP 54 3HB ASP 54 13.794 6.962 -7.821
415 H PHE 55 H PHE 55 16.678 8.761 -10.073
416 HA PHE 55 HA PHE 55 15.094 8.817 -12.529
417 HB2 PHE 55 2HB PHE 55 17.548 9.986 -11.748
418 HB3 PHE 55 3HB PHE 55 17.924 8.820 -13.012
419 HD1 PHE 55 HD1 PHE 55 18.318 10.012 -14.943
420 HD2 PHE 55 HD2 PHE 55 14.967 11.030 -12.525
421 HE1 PHE 55 HE1 PHE 55 17.581 11.624 -16.650
422 HE2 PHE 55 HE2 PHE 55 14.224 12.643 -14.228
423 HZ PHE 55 HZ PHE 55 15.531 12.941 -16.294
424 H ARG 56 H ARG 56 16.062 7.502 -14.392
425 HA ARG 56 HA ARG 56 17.303 5.003 -13.639
426 HB2 ARG 56 2HB ARG 56 15.401 3.697 -14.751
427 HB3 ARG 56 3HB ARG 56 15.123 4.301 -13.123
428 HG2 ARG 56 2HG ARG 56 13.677 5.975 -13.861
429 HG3 ARG 56 3HG ARG 56 14.245 5.855 -15.528
430 HD2 ARG 56 2HD ARG 56 12.756 3.669 -14.083
431 HD3 ARG 56 3HD ARG 56 11.988 4.863 -15.128
432 HE ARG 56 HE ARG 56 14.077 3.603 -16.528
433 HH11 ARG 56 1HH1 ARG 56 10.902 2.947 -15.261
434 HH12 ARG 56 2HH1 ARG 56 10.536 1.738 -16.447
435 HH21 ARG 56 1HH2 ARG 56 13.608 2.013 -18.094
436 HH22 ARG 56 2HH2 ARG 56 12.076 1.206 -18.057
437 H HIS 57 H HIS 57 18.122 3.843 -15.406
438 HA HIS 57 HA HIS 57 19.016 3.563 -17.479
439 HB2 HIS 57 2HB HIS 57 16.318 4.299 -17.909
440 HB3 HIS 57 3HB HIS 57 17.279 5.194 -19.083
441 HD1 HIS 57 HD1 HIS 57 18.766 3.725 -20.725
442 HD2 HIS 57 HD2 HIS 57 15.988 1.629 -18.455
443 HE1 HIS 57 HE1 HIS 57 18.556 1.476 -21.830
Start of MODEL 18
1 H1 LEU 1 H LEU 1 5.731 -1.778 -1.808
2 HA LEU 1 HA LEU 1 3.974 -1.518 -3.447
3 HB2 LEU 1 2HB LEU 1 2.443 -2.086 -1.044
4 HB3 LEU 1 3HB LEU 1 1.769 -0.744 -1.966
5 HG LEU 1 HG LEU 1 2.430 -3.131 -3.552
6 HD11 LEU 1 1HD1 LEU 1 0.391 -4.323 -2.822
7 HD12 LEU 1 2HD1 LEU 1 0.244 -3.192 -1.477
8 HD13 LEU 1 3HD1 LEU 1 1.641 -4.264 -1.579
9 HD21 LEU 1 1HD2 LEU 1 1.286 -1.549 -4.758
10 HD22 LEU 1 2HD2 LEU 1 0.298 -1.054 -3.383
11 HD23 LEU 1 3HD2 LEU 1 -0.044 -2.572 -4.213
12 H GLU 2 H GLU 2 2.558 0.529 -3.804
13 HA GLU 2 HA GLU 2 2.880 2.819 -2.238
14 HB2 GLU 2 2HB GLU 2 5.209 2.126 -3.785
15 HB3 GLU 2 3HB GLU 2 4.544 3.651 -4.352
16 HG2 GLU 2 2HG GLU 2 5.518 4.683 -2.664
17 HG3 GLU 2 3HG GLU 2 4.531 3.753 -1.538
18 H TYR 3 H TYR 3 2.508 4.876 -3.608
19 HA TYR 3 HA TYR 3 0.314 4.274 -5.417
20 HB2 TYR 3 2HB TYR 3 1.271 6.756 -4.023
21 HB3 TYR 3 3HB TYR 3 0.121 6.864 -5.351
22 HD1 TYR 3 HD1 TYR 3 -2.021 5.408 -5.137
23 HD2 TYR 3 HD2 TYR 3 0.499 6.410 -1.859
24 HE1 TYR 3 HE1 TYR 3 -3.868 4.940 -3.582
25 HE2 TYR 3 HE2 TYR 3 -1.341 5.944 -0.294
26 HH TYR 3 HH TYR 3 -4.462 4.719 -1.442
27 H LYS 4 H LYS 4 0.189 4.902 -7.550
28 HA LYS 4 HA LYS 4 2.721 5.218 -8.905
29 HB2 LYS 4 2HB LYS 4 -0.106 4.986 -9.949
30 HB3 LYS 4 3HB LYS 4 1.323 5.073 -10.971
31 HG2 LYS 4 2HG LYS 4 0.664 2.905 -8.989
32 HG3 LYS 4 3HG LYS 4 0.608 2.784 -10.749
33 HD2 LYS 4 2HD LYS 4 2.680 1.929 -10.497
34 HD3 LYS 4 3HD LYS 4 3.151 3.627 -10.395
35 HE2 LYS 4 2HE LYS 4 3.768 3.417 -8.262
36 HE3 LYS 4 3HE LYS 4 2.271 2.591 -7.835
37 HZ1 LYS 4 1HZ LYS 4 4.848 1.501 -8.210
38 HZ2 LYS 4 2HZ LYS 4 3.775 0.792 -9.308
39 HZ3 LYS 4 3HZ LYS 4 3.445 0.740 -7.650
40 H GLY 5 H GLY 5 3.606 7.175 -9.052
41 HA2 GLY 5 2HA GLY 5 1.860 9.417 -9.840
42 HA3 GLY 5 3HA GLY 5 3.029 9.612 -8.543
43 H GLU 6 H GLU 6 2.916 11.158 -10.936
44 HA GLU 6 HA GLU 6 5.363 10.283 -12.319
45 HB2 GLU 6 2HB GLU 6 3.467 12.384 -13.339
46 HB3 GLU 6 3HB GLU 6 4.663 11.462 -14.239
47 HG2 GLU 6 2HG GLU 6 2.077 10.442 -13.093
48 HG3 GLU 6 3HG GLU 6 2.475 10.667 -14.795
49 H CYS 7 H CYS 7 6.699 12.171 -13.167
50 HA CYS 7 HA CYS 7 6.869 14.253 -11.087
51 HB2 CYS 7 2HB CYS 7 9.066 13.854 -10.806
52 HB3 CYS 7 3HB CYS 7 8.756 12.324 -11.620
53 H PHE 8 H PHE 8 8.017 16.250 -11.833
54 HA PHE 8 HA PHE 8 7.159 16.899 -14.571
55 HB2 PHE 8 2HB PHE 8 6.889 18.270 -12.043
56 HB3 PHE 8 3HB PHE 8 7.739 19.284 -13.205
57 HD1 PHE 8 HD1 PHE 8 4.580 17.738 -12.309
58 HD2 PHE 8 HD2 PHE 8 6.649 19.955 -15.296
59 HE1 PHE 8 HE1 PHE 8 2.432 18.330 -13.353
60 HE2 PHE 8 HE2 PHE 8 4.505 20.551 -16.344
61 HZ PHE 8 HZ PHE 8 2.392 19.739 -15.372
62 H THR 9 H THR 9 8.485 18.820 -15.491
63 HA THR 9 HA THR 9 11.017 17.967 -16.136
64 HB THR 9 HB THR 9 11.087 20.813 -16.187
65 HG1 THR 9 HG1 THR 9 9.103 21.322 -17.017
66 HG21 THR 9 1HG2 THR 9 11.606 20.441 -18.349
67 HG22 THR 9 2HG2 THR 9 10.205 19.402 -18.610
68 HG23 THR 9 3HG2 THR 9 11.661 18.747 -17.862
69 H LYS 10 H LYS 10 12.962 19.701 -15.757
70 HA LYS 10 HA LYS 10 13.985 19.148 -13.237
71 HB2 LYS 10 2HB LYS 10 14.899 20.398 -15.556
72 HB3 LYS 10 3HB LYS 10 15.044 21.631 -14.311
73 HG2 LYS 10 2HG LYS 10 16.987 20.697 -13.787
74 HG3 LYS 10 3HG LYS 10 16.056 19.362 -13.104
75 HD2 LYS 10 2HD LYS 10 17.043 18.026 -14.587
76 HD3 LYS 10 3HD LYS 10 16.138 18.865 -15.850
77 HE2 LYS 10 2HE LYS 10 18.088 20.602 -15.667
78 HE3 LYS 10 3HE LYS 10 18.962 19.245 -14.957
79 HZ1 LYS 10 1HZ LYS 10 18.093 19.661 -17.699
80 HZ2 LYS 10 2HZ LYS 10 17.937 18.083 -17.110
81 HZ3 LYS 10 3HZ LYS 10 19.449 18.842 -17.104
82 H ASP 11 H ASP 11 11.431 21.100 -13.878
83 HA ASP 11 HA ASP 11 11.911 23.332 -12.199
84 HB2 ASP 11 2HB ASP 11 9.446 22.073 -13.361
85 HB3 ASP 11 3HB ASP 11 9.307 23.374 -12.183
86 H ASN 12 H ASN 12 11.678 20.138 -11.424
87 HA ASN 12 HA ASN 12 11.445 18.998 -9.470
88 HB2 ASN 12 2HB ASN 12 12.526 21.453 -8.758
89 HB3 ASN 12 3HB ASN 12 11.154 21.273 -7.669
90 HD21 ASN 12 1HD2 ASN 12 13.249 18.789 -9.044
91 HD22 ASN 12 2HD2 ASN 12 13.854 18.211 -7.533
92 H THR 13 H THR 13 9.419 18.155 -9.867
93 HA THR 13 HA THR 13 7.340 18.968 -8.098
94 HB THR 13 HB THR 13 5.929 19.049 -10.540
95 HG1 THR 13 HG1 THR 13 6.963 20.929 -11.478
96 HG21 THR 13 1HG2 THR 13 5.279 20.164 -8.464
97 HG22 THR 13 2HG2 THR 13 5.342 21.315 -9.799
98 HG23 THR 13 3HG2 THR 13 6.649 21.263 -8.616
99 H CYS 14 H CYS 14 5.505 17.523 -8.144
100 HA CYS 14 HA CYS 14 5.684 15.178 -9.849
101 HB2 CYS 14 2HB CYS 14 6.372 15.184 -6.962
102 HB3 CYS 14 3HB CYS 14 5.365 13.856 -7.528
103 H LYS 15 H LYS 15 3.752 14.091 -10.076
104 HA LYS 15 HA LYS 15 1.454 15.215 -8.612
105 HB2 LYS 15 2HB LYS 15 1.628 15.917 -11.032
106 HB3 LYS 15 3HB LYS 15 1.394 14.229 -11.466
107 HG2 LYS 15 2HG LYS 15 -0.808 14.296 -11.055
108 HG3 LYS 15 3HG LYS 15 -0.615 15.312 -9.625
109 HD2 LYS 15 2HD LYS 15 0.071 17.056 -11.579
110 HD3 LYS 15 3HD LYS 15 -1.110 16.058 -12.431
111 HE2 LYS 15 2HE LYS 15 -2.738 16.466 -10.655
112 HE3 LYS 15 3HE LYS 15 -1.556 17.446 -9.788
113 HZ1 LYS 15 1HZ LYS 15 -2.026 18.245 -12.528
114 HZ2 LYS 15 2HZ LYS 15 -1.899 19.189 -11.130
115 HZ3 LYS 15 3HZ LYS 15 -3.362 18.426 -11.504
116 H TYR 16 H TYR 16 0.722 13.713 -7.262
117 HA TYR 16 HA TYR 16 0.631 10.918 -8.193
118 HB2 TYR 16 2HB TYR 16 0.954 10.177 -5.955
119 HB3 TYR 16 3HB TYR 16 2.155 11.433 -6.235
120 HD1 TYR 16 HD1 TYR 16 1.432 13.852 -5.499
121 HD2 TYR 16 HD2 TYR 16 -0.336 10.269 -4.035
122 HE1 TYR 16 HE1 TYR 16 0.631 15.065 -3.516
123 HE2 TYR 16 HE2 TYR 16 -1.143 11.473 -2.048
124 HH TYR 16 HH TYR 16 -0.943 13.390 -0.849
125 H LYS 17 H LYS 17 -1.208 9.685 -7.728
126 HA LYS 17 HA LYS 17 -3.589 11.270 -7.017
127 HB2 LYS 17 2HB LYS 17 -3.689 10.562 -9.324
128 HB3 LYS 17 3HB LYS 17 -3.314 8.903 -8.876
129 HG2 LYS 17 2HG LYS 17 -5.430 8.639 -7.803
130 HG3 LYS 17 3HG LYS 17 -5.794 10.356 -7.987
131 HD2 LYS 17 2HD LYS 17 -5.198 8.756 -10.428
132 HD3 LYS 17 3HD LYS 17 -6.772 8.559 -9.653
133 HE2 LYS 17 2HE LYS 17 -7.430 10.696 -10.140
134 HE3 LYS 17 3HE LYS 17 -5.782 11.320 -10.139
135 HZ1 LYS 17 1HZ LYS 17 -6.457 9.411 -12.233
136 HZ2 LYS 17 2HZ LYS 17 -5.481 10.791 -12.300
137 HZ3 LYS 17 3HZ LYS 17 -7.165 10.943 -12.354
138 H ILE 18 H ILE 18 -4.942 10.534 -5.459
139 HA ILE 18 HA ILE 18 -4.333 7.912 -4.262
140 HB ILE 18 HB ILE 18 -5.123 10.383 -2.718
141 HG12 ILE 18 2HG1 ILE 18 -2.845 10.580 -3.632
142 HG13 ILE 18 3HG1 ILE 18 -2.823 10.402 -1.881
143 HG21 ILE 18 1HG2 ILE 18 -4.160 8.754 -0.863
144 HG22 ILE 18 2HG2 ILE 18 -5.848 8.698 -1.369
145 HG23 ILE 18 3HG2 ILE 18 -4.695 7.532 -2.017
146 HD11 ILE 18 1HD1 ILE 18 -1.329 8.797 -2.183
147 HD12 ILE 18 2HD1 ILE 18 -2.639 7.810 -2.832
148 HD13 ILE 18 3HD1 ILE 18 -1.624 8.755 -3.921
149 H ASP 19 H ASP 19 -6.073 6.775 -3.362
150 HA ASP 19 HA ASP 19 -8.467 6.800 -4.702
151 HB2 ASP 19 2HB ASP 19 -7.828 5.835 -1.914
152 HB3 ASP 19 3HB ASP 19 -9.379 5.542 -2.695
153 H GLY 20 H GLY 20 -10.005 8.286 -4.842
154 HA2 GLY 20 2HA GLY 20 -11.827 9.416 -3.685
155 HA3 GLY 20 3HA GLY 20 -10.685 9.818 -2.411
156 H LYS 21 H LYS 21 -8.936 11.319 -2.962
157 HA LYS 21 HA LYS 21 -9.666 13.140 -5.158
158 HB2 LYS 21 2HB LYS 21 -9.008 13.789 -2.296
159 HB3 LYS 21 3HB LYS 21 -8.771 14.974 -3.573
160 HG2 LYS 21 2HG LYS 21 -11.386 13.624 -2.936
161 HG3 LYS 21 3HG LYS 21 -10.916 15.240 -2.404
162 HD2 LYS 21 2HD LYS 21 -11.214 14.328 -5.266
163 HD3 LYS 21 3HD LYS 21 -12.348 15.349 -4.378
164 HE2 LYS 21 2HE LYS 21 -9.503 16.012 -5.123
165 HE3 LYS 21 3HE LYS 21 -10.969 16.733 -5.786
166 HZ1 LYS 21 1HZ LYS 21 -9.989 18.185 -4.152
167 HZ2 LYS 21 2HZ LYS 21 -10.017 16.963 -2.982
168 HZ3 LYS 21 3HZ LYS 21 -11.468 17.605 -3.569
169 H THR 22 H THR 22 -7.952 14.284 -6.131
170 HA THR 22 HA THR 22 -5.359 12.955 -5.827
171 HB THR 22 HB THR 22 -6.392 14.735 -8.043
172 HG1 THR 22 HG1 THR 22 -7.299 12.853 -8.500
173 HG21 THR 22 1HG2 THR 22 -4.246 13.468 -9.087
174 HG22 THR 22 2HG2 THR 22 -3.711 13.675 -7.419
175 HG23 THR 22 3HG2 THR 22 -4.181 15.080 -8.375
176 H TYR 23 H TYR 23 -3.480 14.045 -5.387
177 HA TYR 23 HA TYR 23 -3.688 16.930 -4.856
178 HB2 TYR 23 2HB TYR 23 -2.032 15.174 -3.078
179 HB3 TYR 23 3HB TYR 23 -2.707 16.766 -2.750
180 HD1 TYR 23 HD1 TYR 23 -4.896 17.013 -1.835
181 HD2 TYR 23 HD2 TYR 23 -3.499 13.171 -3.014
182 HE1 TYR 23 HE1 TYR 23 -6.801 15.973 -0.679
183 HE2 TYR 23 HE2 TYR 23 -5.401 12.120 -1.862
184 HH TYR 23 HH TYR 23 -7.667 14.026 0.060
185 H LEU 24 H LEU 24 -1.442 17.902 -4.533
186 HA LEU 24 HA LEU 24 0.277 16.884 -6.675
187 HB2 LEU 24 2HB LEU 24 -0.631 19.310 -6.486
188 HB3 LEU 24 3HB LEU 24 0.655 19.513 -5.298
189 HG LEU 24 HG LEU 24 1.159 20.285 -7.652
190 HD11 LEU 24 1HD1 LEU 24 2.757 18.941 -5.742
191 HD12 LEU 24 2HD1 LEU 24 3.247 20.151 -6.928
192 HD13 LEU 24 3HD1 LEU 24 3.298 18.438 -7.344
193 HD21 LEU 24 1HD2 LEU 24 0.083 18.326 -8.753
194 HD22 LEU 24 2HD2 LEU 24 1.420 17.328 -8.180
195 HD23 LEU 24 3HD2 LEU 24 1.725 18.650 -9.307
196 H ALA 25 H ALA 25 2.439 16.438 -6.384
197 HA ALA 25 HA ALA 25 3.383 16.391 -3.591
198 HB1 ALA 25 1HB ALA 25 3.284 14.159 -3.906
199 HB2 ALA 25 2HB ALA 25 3.367 14.292 -5.663
200 HB3 ALA 25 3HB ALA 25 4.838 14.422 -4.698
201 H LYS 26 H LYS 26 5.618 16.730 -3.238
202 HA LYS 26 HA LYS 26 6.953 18.155 -5.444
203 HB2 LYS 26 2HB LYS 26 6.282 19.207 -3.055
204 HB3 LYS 26 3HB LYS 26 7.873 18.572 -2.657
205 HG2 LYS 26 2HG LYS 26 7.397 20.343 -5.034
206 HG3 LYS 26 3HG LYS 26 7.764 20.978 -3.428
207 HD2 LYS 26 2HD LYS 26 9.670 18.990 -3.874
208 HD3 LYS 26 3HD LYS 26 9.534 19.846 -5.412
209 HE2 LYS 26 2HE LYS 26 11.106 21.139 -4.370
210 HE3 LYS 26 3HE LYS 26 9.637 21.967 -3.857
211 HZ1 LYS 26 1HZ LYS 26 10.953 19.859 -2.242
212 HZ2 LYS 26 2HZ LYS 26 9.733 20.923 -1.754
213 HZ3 LYS 26 3HZ LYS 26 11.291 21.507 -2.060
214 H CYS 27 H CYS 27 9.119 17.768 -5.866
215 HA CYS 27 HA CYS 27 10.209 15.332 -4.619
216 HB2 CYS 27 2HB CYS 27 10.226 16.365 -7.407
217 HB3 CYS 27 3HB CYS 27 11.666 15.514 -6.859
218 HA PRO 28 HA PRO 28 13.752 17.455 -3.143
219 HB2 PRO 28 2HB PRO 28 15.765 15.712 -3.673
220 HB3 PRO 28 3HB PRO 28 14.556 15.430 -2.415
221 HG2 PRO 28 2HG PRO 28 14.686 14.333 -5.197
222 HG3 PRO 28 3HG PRO 28 14.278 13.502 -3.685
223 HD2 PRO 28 2HD PRO 28 12.394 14.343 -5.439
224 HD3 PRO 28 3HD PRO 28 12.113 14.294 -3.687
225 H SER 29 H SER 29 15.557 18.693 -3.730
226 HA SER 29 HA SER 29 15.665 19.390 -6.529
227 HB2 SER 29 2HB SER 29 17.562 20.953 -5.477
228 HB3 SER 29 3HB SER 29 15.847 21.329 -5.319
229 HG SER 29 HG SER 29 17.608 20.227 -3.417
230 H ALA 30 H ALA 30 17.283 17.221 -4.522
231 HA ALA 30 HA ALA 30 19.919 17.267 -5.305
232 HB1 ALA 30 1HB ALA 30 19.895 15.521 -3.937
233 HB2 ALA 30 2HB ALA 30 18.144 15.369 -4.097
234 HB3 ALA 30 3HB ALA 30 19.209 14.551 -5.240
235 H ALA 31 H ALA 31 20.940 17.059 -7.181
236 HA ALA 31 HA ALA 31 19.698 16.790 -9.639
237 HB1 ALA 31 1HB ALA 31 21.813 16.776 -10.593
238 HB2 ALA 31 2HB ALA 31 22.085 17.581 -9.047
239 HB3 ALA 31 3HB ALA 31 22.524 15.885 -9.247
240 H ASN 32 H ASN 32 21.116 14.307 -7.570
241 HA ASN 32 HA ASN 32 20.924 12.179 -9.422
242 HB2 ASN 32 2HB ASN 32 20.857 11.991 -6.404
243 HB3 ASN 32 3HB ASN 32 21.319 10.720 -7.532
244 HD21 ASN 32 1HD2 ASN 32 23.172 11.305 -8.993
245 HD22 ASN 32 2HD2 ASN 32 24.491 12.157 -8.273
246 H THR 33 H THR 33 18.605 13.769 -7.438
247 HA THR 33 HA THR 33 16.619 11.685 -8.077
248 HB THR 33 HB THR 33 15.313 12.611 -6.121
249 HG1 THR 33 HG1 THR 33 16.565 14.588 -5.978
250 HG21 THR 33 1HG2 THR 33 17.240 10.669 -6.213
251 HG22 THR 33 2HG2 THR 33 16.167 10.969 -4.845
252 HG23 THR 33 3HG2 THR 33 17.786 11.668 -4.866
253 H LYS 34 H LYS 34 17.575 14.260 -9.460
254 HA LYS 34 HA LYS 34 15.138 15.848 -9.474
255 HB2 LYS 34 2HB LYS 34 17.891 16.161 -10.582
256 HB3 LYS 34 3HB LYS 34 16.580 17.044 -11.352
257 HG2 LYS 34 2HG LYS 34 16.155 17.567 -8.701
258 HG3 LYS 34 3HG LYS 34 17.917 17.512 -8.805
259 HD2 LYS 34 2HD LYS 34 17.877 19.582 -9.618
260 HD3 LYS 34 3HD LYS 34 17.051 18.960 -11.049
261 HE2 LYS 34 2HE LYS 34 14.926 19.448 -10.156
262 HE3 LYS 34 3HE LYS 34 15.574 19.686 -8.534
263 HZ1 LYS 34 1HZ LYS 34 16.379 21.428 -10.780
264 HZ2 LYS 34 2HZ LYS 34 16.487 21.730 -9.119
265 HZ3 LYS 34 3HZ LYS 34 14.979 21.742 -9.885
266 H CYS 35 H CYS 35 14.496 16.616 -11.807
267 HA CYS 35 HA CYS 35 14.251 14.214 -13.498
268 HB2 CYS 35 2HB CYS 35 12.215 16.382 -12.954
269 HB3 CYS 35 3HB CYS 35 12.036 15.161 -14.210
270 H GLU 36 H GLU 36 14.912 14.395 -15.543
271 HA GLU 36 HA GLU 36 15.872 16.984 -16.465
272 HB2 GLU 36 2HB GLU 36 17.135 15.819 -18.067
273 HB3 GLU 36 3HB GLU 36 17.191 14.799 -16.636
274 HG2 GLU 36 2HG GLU 36 15.158 13.608 -17.718
275 HG3 GLU 36 3HG GLU 36 15.721 14.380 -19.199
276 H LYS 37 H LYS 37 13.271 14.775 -17.017
277 HA LYS 37 HA LYS 37 12.130 16.635 -18.964
278 HB2 LYS 37 2HB LYS 37 13.341 14.515 -19.985
279 HB3 LYS 37 3HB LYS 37 11.843 13.716 -19.526
280 HG2 LYS 37 2HG LYS 37 10.625 15.490 -20.828
281 HG3 LYS 37 3HG LYS 37 12.199 16.007 -21.438
282 HD2 LYS 37 2HD LYS 37 12.552 13.970 -22.559
283 HD3 LYS 37 3HD LYS 37 11.266 13.159 -21.662
284 HE2 LYS 37 2HE LYS 37 10.209 15.440 -23.045
285 HE3 LYS 37 3HE LYS 37 11.097 14.416 -24.172
286 HZ1 LYS 37 1HZ LYS 37 9.679 12.617 -22.764
287 HZ2 LYS 37 2HZ LYS 37 9.200 13.263 -24.251
288 HZ3 LYS 37 3HZ LYS 37 8.603 13.921 -22.812
289 H ASP 38 H ASP 38 10.081 17.085 -18.493
290 HA ASP 38 HA ASP 38 8.765 16.084 -16.253
291 HB2 ASP 38 2HB ASP 38 6.952 17.424 -16.866
292 HB3 ASP 38 3HB ASP 38 8.317 18.232 -17.631
293 H GLY 39 H GLY 39 7.008 14.672 -15.987
294 HA2 GLY 39 2HA GLY 39 5.426 13.074 -16.749
295 HA3 GLY 39 3HA GLY 39 6.307 12.966 -18.266
296 H ASN 40 H ASN 40 8.729 12.900 -16.189
297 HA ASN 40 HA ASN 40 9.337 10.205 -16.503
298 HB2 ASN 40 2HB ASN 40 10.568 12.462 -15.352
299 HB3 ASN 40 3HB ASN 40 10.542 11.232 -14.092
300 HD21 ASN 40 1HD2 ASN 40 11.640 12.014 -17.311
301 HD22 ASN 40 2HD2 ASN 40 12.867 10.800 -17.398
302 H LYS 41 H LYS 41 9.948 8.897 -14.340
303 HA LYS 41 HA LYS 41 7.399 8.213 -13.184
304 HB2 LYS 41 2HB LYS 41 9.873 6.894 -13.642
305 HB3 LYS 41 3HB LYS 41 9.561 6.837 -11.912
306 HG2 LYS 41 2HG LYS 41 7.667 5.916 -14.066
307 HG3 LYS 41 3HG LYS 41 8.680 4.874 -13.065
308 HD2 LYS 41 2HD LYS 41 7.419 6.290 -11.150
309 HD3 LYS 41 3HD LYS 41 6.178 6.296 -12.406
310 HE2 LYS 41 2HE LYS 41 5.643 4.191 -11.941
311 HE3 LYS 41 3HE LYS 41 7.311 3.676 -12.192
312 HZ1 LYS 41 1HZ LYS 41 6.032 3.518 -9.854
313 HZ2 LYS 41 2HZ LYS 41 6.796 5.016 -9.676
314 HZ3 LYS 41 3HZ LYS 41 7.714 3.632 -9.999
315 H CYS 42 H CYS 42 6.915 8.162 -10.947
316 HA CYS 42 HA CYS 42 8.681 9.545 -9.106
317 HB2 CYS 42 2HB CYS 42 7.257 11.289 -10.309
318 HB3 CYS 42 3HB CYS 42 5.875 10.588 -9.473
319 H THR 43 H THR 43 7.962 9.396 -6.879
320 HA THR 43 HA THR 43 5.851 7.422 -6.386
321 HB THR 43 HB THR 43 8.040 6.985 -4.558
322 HG1 THR 43 HG1 THR 43 9.256 5.883 -6.430
323 HG21 THR 43 1HG2 THR 43 6.274 5.385 -4.844
324 HG22 THR 43 2HG2 THR 43 7.774 4.648 -5.409
325 HG23 THR 43 3HG2 THR 43 6.600 5.262 -6.573
326 H TYR 44 H TYR 44 4.755 7.676 -4.475
327 HA TYR 44 HA TYR 44 5.674 9.782 -2.646
328 HB2 TYR 44 2HB TYR 44 4.091 11.014 -3.820
329 HB3 TYR 44 3HB TYR 44 3.053 9.619 -4.089
330 HD1 TYR 44 HD1 TYR 44 3.970 12.284 -1.761
331 HD2 TYR 44 HD2 TYR 44 1.502 8.871 -2.362
332 HE1 TYR 44 HE1 TYR 44 2.581 12.958 0.154
333 HE2 TYR 44 HE2 TYR 44 0.105 9.537 -0.450
334 HH TYR 44 HH TYR 44 1.019 11.686 1.833
335 H ASP 45 H ASP 45 5.551 9.231 -0.566
336 HA ASP 45 HA ASP 45 4.246 6.703 0.115
337 HB2 ASP 45 2HB ASP 45 6.685 7.288 0.720
338 HB3 ASP 45 3HB ASP 45 5.985 8.323 1.962
339 H SER 46 H SER 46 2.336 6.674 1.083
340 HA SER 46 HA SER 46 1.151 9.130 2.040
341 HB2 SER 46 2HB SER 46 -0.831 7.583 2.496
342 HB3 SER 46 3HB SER 46 -0.330 7.741 0.813
343 HG SER 46 HG SER 46 -0.636 5.526 2.065
344 H TYR 47 H TYR 47 2.980 6.626 3.372
345 HA TYR 47 HA TYR 47 1.812 6.668 6.003
346 HB2 TYR 47 2HB TYR 47 2.994 4.680 5.034
347 HB3 TYR 47 3HB TYR 47 4.504 5.574 5.168
348 HD1 TYR 47 HD1 TYR 47 5.687 5.650 7.205
349 HD2 TYR 47 HD2 TYR 47 1.704 4.156 7.143
350 HE1 TYR 47 HE1 TYR 47 5.952 4.863 9.520
351 HE2 TYR 47 HE2 TYR 47 1.957 3.366 9.458
352 HH TYR 47 HH TYR 47 4.921 3.108 10.997
353 H ASN 48 H ASN 48 4.708 8.007 4.463
354 HA ASN 48 HA ASN 48 5.176 9.624 6.877
355 HB2 ASN 48 2HB ASN 48 7.388 9.877 5.158
356 HB3 ASN 48 3HB ASN 48 7.307 8.973 6.667
357 HD21 ASN 48 1HD2 ASN 48 7.920 8.781 3.420
358 HD22 ASN 48 2HD2 ASN 48 7.784 7.071 3.214
359 H ARG 49 H ARG 49 3.715 9.839 3.974
360 HA ARG 49 HA ARG 49 3.102 11.532 2.582
361 HB2 ARG 49 2HB ARG 49 3.882 13.302 4.904
362 HB3 ARG 49 3HB ARG 49 2.801 13.723 3.583
363 HG2 ARG 49 2HG ARG 49 1.624 11.471 4.575
364 HG3 ARG 49 3HG ARG 49 2.283 12.220 6.031
365 HD2 ARG 49 2HD ARG 49 1.181 14.343 5.374
366 HD3 ARG 49 3HD ARG 49 0.447 13.500 4.010
367 HE ARG 49 HE ARG 49 -0.207 12.072 6.298
368 HH11 ARG 49 1HH1 ARG 49 -0.775 15.239 4.969
369 HH12 ARG 49 2HH1 ARG 49 -2.309 15.434 5.751
370 HH21 ARG 49 1HH2 ARG 49 -2.224 12.317 7.333
371 HH22 ARG 49 2HH2 ARG 49 -3.132 13.772 7.096
372 H LYS 50 H LYS 50 5.910 10.646 2.602
373 HA LYS 50 HA LYS 50 7.222 13.102 1.641
374 HB2 LYS 50 2HB LYS 50 8.623 12.283 3.301
375 HB3 LYS 50 3HB LYS 50 8.267 10.604 2.918
376 HG2 LYS 50 2HG LYS 50 9.789 10.525 1.207
377 HG3 LYS 50 3HG LYS 50 9.705 12.263 0.907
378 HD2 LYS 50 2HD LYS 50 11.673 12.322 1.992
379 HD3 LYS 50 3HD LYS 50 10.682 12.198 3.448
380 HE2 LYS 50 2HE LYS 50 11.216 10.004 3.789
381 HE3 LYS 50 3HE LYS 50 11.446 9.680 2.071
382 HZ1 LYS 50 1HZ LYS 50 13.316 11.145 3.852
383 HZ2 LYS 50 2HZ LYS 50 13.527 10.955 2.185
384 HZ3 LYS 50 3HZ LYS 50 13.549 9.602 3.199
385 H VAL 51 H VAL 51 8.118 13.170 -0.387
386 HA VAL 51 HA VAL 51 7.272 11.038 -2.208
387 HB VAL 51 HB VAL 51 8.333 13.778 -2.904
388 HG11 VAL 51 1HG1 VAL 51 8.469 11.879 -4.599
389 HG12 VAL 51 2HG1 VAL 51 6.706 11.946 -4.641
390 HG13 VAL 51 3HG1 VAL 51 7.655 13.357 -5.111
391 HG21 VAL 51 1HG2 VAL 51 6.097 14.522 -3.166
392 HG22 VAL 51 2HG2 VAL 51 5.455 12.896 -2.936
393 HG23 VAL 51 3HG2 VAL 51 6.184 13.755 -1.580
394 H LYS 52 H LYS 52 8.674 9.699 -3.150
395 HA LYS 52 HA LYS 52 11.547 10.315 -2.918
396 HB2 LYS 52 2HB LYS 52 10.974 8.417 -1.535
397 HB3 LYS 52 3HB LYS 52 10.135 7.643 -2.873
398 HG2 LYS 52 2HG LYS 52 12.214 7.338 -4.057
399 HG3 LYS 52 3HG LYS 52 13.089 8.224 -2.806
400 HD2 LYS 52 2HD LYS 52 11.496 5.988 -1.790
401 HD3 LYS 52 3HD LYS 52 12.782 5.507 -2.898
402 HE2 LYS 52 2HE LYS 52 14.447 6.274 -1.510
403 HE3 LYS 52 3HE LYS 52 13.398 7.456 -0.729
404 HZ1 LYS 52 1HZ LYS 52 13.394 4.519 -0.307
405 HZ2 LYS 52 2HZ LYS 52 12.238 5.569 0.340
406 HZ3 LYS 52 3HZ LYS 52 13.859 5.706 0.805
407 H CYS 53 H CYS 53 12.474 10.770 -4.793
408 HA CYS 53 HA CYS 53 11.484 9.421 -7.219
409 HB2 CYS 53 2HB CYS 53 12.752 12.137 -7.324
410 HB3 CYS 53 3HB CYS 53 11.658 11.377 -8.475
411 H ASP 54 H ASP 54 12.984 8.631 -8.639
412 HA ASP 54 HA ASP 54 15.819 9.108 -8.076
413 HB2 ASP 54 2HB ASP 54 15.684 7.100 -6.941
414 HB3 ASP 54 3HB ASP 54 14.391 6.486 -7.968
415 H PHE 55 H PHE 55 17.201 8.835 -9.844
416 HA PHE 55 HA PHE 55 15.857 8.431 -12.434
417 HB2 PHE 55 2HB PHE 55 17.291 10.736 -11.459
418 HB3 PHE 55 3HB PHE 55 18.099 10.074 -12.876
419 HD1 PHE 55 HD1 PHE 55 17.587 11.369 -14.700
420 HD2 PHE 55 HD2 PHE 55 14.500 10.368 -11.947
421 HE1 PHE 55 HE1 PHE 55 15.937 12.470 -16.156
422 HE2 PHE 55 HE2 PHE 55 12.844 11.466 -13.399
423 HZ PHE 55 HZ PHE 55 13.562 12.518 -15.506
424 H ARG 56 H ARG 56 17.052 7.421 -14.070
425 HA ARG 56 HA ARG 56 19.730 6.465 -13.483
426 HB2 ARG 56 2HB ARG 56 17.316 4.745 -13.421
427 HB3 ARG 56 3HB ARG 56 18.711 4.102 -14.275
428 HG2 ARG 56 2HG ARG 56 20.026 4.707 -12.148
429 HG3 ARG 56 3HG ARG 56 18.439 4.811 -11.382
430 HD2 ARG 56 2HD ARG 56 17.955 2.527 -11.952
431 HD3 ARG 56 3HD ARG 56 19.434 2.408 -12.904
432 HE ARG 56 HE ARG 56 20.014 3.108 -10.218
433 HH11 ARG 56 1HH1 ARG 56 19.074 0.425 -12.228
434 HH12 ARG 56 2HH1 ARG 56 19.780 -0.769 -11.190
435 HH21 ARG 56 1HH2 ARG 56 20.947 1.545 -8.843
436 HH22 ARG 56 2HH2 ARG 56 20.844 -0.131 -9.264
437 H HIS 57 H HIS 57 20.857 5.738 -15.315
438 HA HIS 57 HA HIS 57 21.475 5.842 -17.505
439 HB2 HIS 57 2HB HIS 57 20.145 3.940 -17.883
440 HB3 HIS 57 3HB HIS 57 18.644 4.840 -17.686
441 HD1 HIS 57 HD1 HIS 57 21.049 3.714 -20.211
442 HD2 HIS 57 HD2 HIS 57 18.010 6.534 -19.945
443 HE1 HIS 57 HE1 HIS 57 20.522 4.360 -22.583
Start of MODEL 19
1 H1 LEU 1 H LEU 1 3.557 -1.011 -4.362
2 HA LEU 1 HA LEU 1 1.147 -1.496 -3.262
3 HB2 LEU 1 2HB LEU 1 3.080 -2.252 -1.386
4 HB3 LEU 1 3HB LEU 1 2.429 -0.722 -0.801
5 HG LEU 1 HG LEU 1 0.630 -3.003 -1.561
6 HD11 LEU 1 1HD1 LEU 1 0.658 -3.188 1.100
7 HD12 LEU 1 2HD1 LEU 1 2.332 -2.700 0.838
8 HD13 LEU 1 3HD1 LEU 1 1.706 -4.155 0.063
9 HD21 LEU 1 1HD2 LEU 1 -0.590 -1.026 -1.318
10 HD22 LEU 1 2HD2 LEU 1 0.382 -0.484 0.050
11 HD23 LEU 1 3HD2 LEU 1 -0.750 -1.823 0.247
12 H GLU 2 H GLU 2 3.983 0.521 -3.205
13 HA GLU 2 HA GLU 2 2.986 2.886 -2.172
14 HB2 GLU 2 2HB GLU 2 5.151 2.157 -4.050
15 HB3 GLU 2 3HB GLU 2 4.613 3.829 -4.117
16 HG2 GLU 2 2HG GLU 2 6.226 4.041 -2.547
17 HG3 GLU 2 3HG GLU 2 4.874 3.632 -1.492
18 H TYR 3 H TYR 3 2.557 4.917 -3.485
19 HA TYR 3 HA TYR 3 0.342 4.355 -5.271
20 HB2 TYR 3 2HB TYR 3 1.380 6.839 -3.930
21 HB3 TYR 3 3HB TYR 3 0.170 6.935 -5.205
22 HD1 TYR 3 HD1 TYR 3 0.573 6.887 -1.778
23 HD2 TYR 3 HD2 TYR 3 -1.831 5.133 -4.818
24 HE1 TYR 3 HE1 TYR 3 -1.194 6.457 -0.123
25 HE2 TYR 3 HE2 TYR 3 -3.606 4.698 -3.171
26 HH TYR 3 HH TYR 3 -3.109 4.939 0.173
27 H LYS 4 H LYS 4 0.189 4.969 -7.404
28 HA LYS 4 HA LYS 4 2.702 5.250 -8.806
29 HB2 LYS 4 2HB LYS 4 -0.145 4.785 -9.621
30 HB3 LYS 4 3HB LYS 4 1.033 5.299 -10.822
31 HG2 LYS 4 2HG LYS 4 2.421 3.297 -9.816
32 HG3 LYS 4 3HG LYS 4 0.817 2.730 -9.348
33 HD2 LYS 4 2HD LYS 4 0.292 3.376 -11.879
34 HD3 LYS 4 3HD LYS 4 2.018 3.043 -12.044
35 HE2 LYS 4 2HE LYS 4 0.569 1.045 -10.475
36 HE3 LYS 4 3HE LYS 4 0.017 1.175 -12.144
37 HZ1 LYS 4 1HZ LYS 4 2.006 0.464 -12.957
38 HZ2 LYS 4 2HZ LYS 4 2.003 -0.378 -11.491
39 HZ3 LYS 4 3HZ LYS 4 2.900 1.048 -11.645
40 H GLY 5 H GLY 5 3.599 7.201 -8.968
41 HA2 GLY 5 2HA GLY 5 1.863 9.448 -9.763
42 HA3 GLY 5 3HA GLY 5 3.035 9.646 -8.468
43 H GLU 6 H GLU 6 2.928 11.176 -10.872
44 HA GLU 6 HA GLU 6 5.368 10.277 -12.253
45 HB2 GLU 6 2HB GLU 6 3.481 12.383 -13.282
46 HB3 GLU 6 3HB GLU 6 4.672 11.452 -14.178
47 HG2 GLU 6 2HG GLU 6 2.865 10.294 -14.831
48 HG3 GLU 6 3HG GLU 6 3.116 9.455 -13.301
49 H CYS 7 H CYS 7 6.708 12.157 -13.120
50 HA CYS 7 HA CYS 7 6.904 14.242 -11.045
51 HB2 CYS 7 2HB CYS 7 9.100 13.830 -10.783
52 HB3 CYS 7 3HB CYS 7 8.780 12.305 -11.602
53 H PHE 8 H PHE 8 8.068 16.230 -11.808
54 HA PHE 8 HA PHE 8 7.172 16.885 -14.532
55 HB2 PHE 8 2HB PHE 8 6.846 18.220 -12.032
56 HB3 PHE 8 3HB PHE 8 7.844 19.235 -13.068
57 HD1 PHE 8 HD1 PHE 8 6.519 20.942 -13.859
58 HD2 PHE 8 HD2 PHE 8 4.993 16.969 -13.851
59 HE1 PHE 8 HE1 PHE 8 4.504 21.717 -15.040
60 HE2 PHE 8 HE2 PHE 8 2.977 17.737 -15.032
61 HZ PHE 8 HZ PHE 8 2.730 20.113 -15.629
62 H THR 9 H THR 9 8.501 18.775 -15.492
63 HA THR 9 HA THR 9 11.023 17.893 -16.152
64 HB THR 9 HB THR 9 11.092 20.741 -16.262
65 HG1 THR 9 HG1 THR 9 9.072 21.271 -16.563
66 HG21 THR 9 1HG2 THR 9 10.204 19.284 -18.653
67 HG22 THR 9 2HG2 THR 9 11.659 18.636 -17.896
68 HG23 THR 9 3HG2 THR 9 11.610 20.321 -18.413
69 H LYS 10 H LYS 10 12.971 19.645 -15.833
70 HA LYS 10 HA LYS 10 14.030 19.138 -13.318
71 HB2 LYS 10 2HB LYS 10 14.906 20.356 -15.669
72 HB3 LYS 10 3HB LYS 10 15.064 21.608 -14.444
73 HG2 LYS 10 2HG LYS 10 17.032 20.685 -13.979
74 HG3 LYS 10 3HG LYS 10 16.111 19.399 -13.194
75 HD2 LYS 10 2HD LYS 10 16.979 17.958 -14.648
76 HD3 LYS 10 3HD LYS 10 16.120 18.799 -15.940
77 HE2 LYS 10 2HE LYS 10 17.972 19.933 -16.620
78 HE3 LYS 10 3HE LYS 10 18.660 19.998 -14.998
79 HZ1 LYS 10 1HZ LYS 10 19.873 18.546 -16.597
80 HZ2 LYS 10 2HZ LYS 10 18.531 17.516 -16.616
81 HZ3 LYS 10 3HZ LYS 10 19.387 17.763 -15.178
82 H ASP 11 H ASP 11 11.461 21.073 -13.960
83 HA ASP 11 HA ASP 11 11.954 23.330 -12.317
84 HB2 ASP 11 2HB ASP 11 9.698 22.198 -13.785
85 HB3 ASP 11 3HB ASP 11 9.210 22.956 -12.271
86 H ASN 12 H ASN 12 11.723 20.143 -11.499
87 HA ASN 12 HA ASN 12 11.508 19.028 -9.528
88 HB2 ASN 12 2HB ASN 12 12.624 21.473 -8.861
89 HB3 ASN 12 3HB ASN 12 11.252 21.344 -7.765
90 HD21 ASN 12 1HD2 ASN 12 13.291 18.787 -9.089
91 HD22 ASN 12 2HD2 ASN 12 13.892 18.233 -7.566
92 H THR 13 H THR 13 9.469 18.199 -9.906
93 HA THR 13 HA THR 13 7.417 19.043 -8.117
94 HB THR 13 HB THR 13 5.984 19.096 -10.551
95 HG1 THR 13 HG1 THR 13 7.851 21.194 -10.636
96 HG21 THR 13 1HG2 THR 13 6.689 21.189 -8.501
97 HG22 THR 13 2HG2 THR 13 5.203 20.248 -8.628
98 HG23 THR 13 3HG2 THR 13 5.567 21.487 -9.828
99 H CYS 14 H CYS 14 5.577 17.606 -8.119
100 HA CYS 14 HA CYS 14 5.746 15.227 -9.785
101 HB2 CYS 14 2HB CYS 14 6.393 15.294 -6.887
102 HB3 CYS 14 3HB CYS 14 5.393 13.956 -7.444
103 H LYS 15 H LYS 15 3.813 14.113 -9.970
104 HA LYS 15 HA LYS 15 1.517 15.175 -8.473
105 HB2 LYS 15 2HB LYS 15 1.440 16.283 -10.608
106 HB3 LYS 15 3HB LYS 15 1.701 14.768 -11.461
107 HG2 LYS 15 2HG LYS 15 -0.604 15.385 -11.651
108 HG3 LYS 15 3HG LYS 15 -0.479 13.963 -10.612
109 HD2 LYS 15 2HD LYS 15 -1.728 15.099 -9.149
110 HD3 LYS 15 3HD LYS 15 -0.287 16.071 -8.840
111 HE2 LYS 15 2HE LYS 15 -0.986 17.764 -10.316
112 HE3 LYS 15 3HE LYS 15 -2.205 16.728 -11.058
113 HZ1 LYS 15 1HZ LYS 15 -2.734 16.925 -8.309
114 HZ2 LYS 15 2HZ LYS 15 -3.680 17.464 -9.603
115 HZ3 LYS 15 3HZ LYS 15 -2.521 18.489 -8.919
116 H TYR 16 H TYR 16 0.736 13.529 -7.340
117 HA TYR 16 HA TYR 16 0.670 10.864 -8.597
118 HB2 TYR 16 2HB TYR 16 0.752 9.909 -6.358
119 HB3 TYR 16 3HB TYR 16 2.115 10.998 -6.598
120 HD1 TYR 16 HD1 TYR 16 -0.740 10.224 -4.572
121 HD2 TYR 16 HD2 TYR 16 1.964 13.339 -5.618
122 HE1 TYR 16 HE1 TYR 16 -1.370 11.447 -2.533
123 HE2 TYR 16 HE2 TYR 16 1.343 14.570 -3.581
124 HH TYR 16 HH TYR 16 0.393 14.030 -1.321
125 H LYS 17 H LYS 17 -1.138 9.466 -7.887
126 HA LYS 17 HA LYS 17 -3.570 11.017 -7.293
127 HB2 LYS 17 2HB LYS 17 -3.665 10.518 -9.630
128 HB3 LYS 17 3HB LYS 17 -3.183 8.849 -9.356
129 HG2 LYS 17 2HG LYS 17 -5.292 8.395 -8.249
130 HG3 LYS 17 3HG LYS 17 -5.775 10.082 -8.442
131 HD2 LYS 17 2HD LYS 17 -4.996 8.503 -10.852
132 HD3 LYS 17 3HD LYS 17 -6.591 8.254 -10.138
133 HE2 LYS 17 2HE LYS 17 -7.232 10.475 -10.524
134 HE3 LYS 17 3HE LYS 17 -5.570 11.001 -10.786
135 HZ1 LYS 17 1HZ LYS 17 -7.380 10.320 -12.719
136 HZ2 LYS 17 2HZ LYS 17 -6.351 8.980 -12.641
137 HZ3 LYS 17 3HZ LYS 17 -5.714 10.519 -12.935
138 H ILE 18 H ILE 18 -4.944 10.160 -5.821
139 HA ILE 18 HA ILE 18 -4.399 7.431 -4.862
140 HB ILE 18 HB ILE 18 -4.973 9.834 -3.126
141 HG12 ILE 18 2HG1 ILE 18 -2.498 8.169 -3.580
142 HG13 ILE 18 3HG1 ILE 18 -2.687 9.905 -3.800
143 HG21 ILE 18 1HG2 ILE 18 -4.527 6.951 -2.363
144 HG22 ILE 18 2HG2 ILE 18 -4.721 8.298 -1.242
145 HG23 ILE 18 3HG2 ILE 18 -6.061 7.819 -2.285
146 HD11 ILE 18 1HD1 ILE 18 -2.655 8.403 -1.196
147 HD12 ILE 18 2HD1 ILE 18 -1.422 9.503 -1.814
148 HD13 ILE 18 3HD1 ILE 18 -3.008 10.124 -1.355
149 H ASP 19 H ASP 19 -6.167 6.259 -4.122
150 HA ASP 19 HA ASP 19 -8.582 6.558 -5.391
151 HB2 ASP 19 2HB ASP 19 -7.765 5.113 -2.897
152 HB3 ASP 19 3HB ASP 19 -9.466 5.160 -3.353
153 H GLY 20 H GLY 20 -10.098 8.068 -5.277
154 HA2 GLY 20 2HA GLY 20 -11.840 9.086 -3.904
155 HA3 GLY 20 3HA GLY 20 -10.626 9.317 -2.654
156 H LYS 21 H LYS 21 -8.870 10.837 -3.118
157 HA LYS 21 HA LYS 21 -9.666 12.916 -5.047
158 HB2 LYS 21 2HB LYS 21 -8.831 13.205 -2.173
159 HB3 LYS 21 3HB LYS 21 -8.620 14.527 -3.314
160 HG2 LYS 21 2HG LYS 21 -11.242 13.185 -2.685
161 HG3 LYS 21 3HG LYS 21 -10.690 14.719 -2.006
162 HD2 LYS 21 2HD LYS 21 -11.186 14.136 -4.926
163 HD3 LYS 21 3HD LYS 21 -12.220 15.095 -3.865
164 HE2 LYS 21 2HE LYS 21 -9.888 16.375 -3.503
165 HE3 LYS 21 3HE LYS 21 -9.643 15.780 -5.144
166 HZ1 LYS 21 1HZ LYS 21 -11.795 16.806 -5.736
167 HZ2 LYS 21 2HZ LYS 21 -10.637 17.935 -5.240
168 HZ3 LYS 21 3HZ LYS 21 -11.881 17.479 -4.186
169 H THR 22 H THR 22 -7.976 14.133 -5.978
170 HA THR 22 HA THR 22 -5.399 12.731 -5.957
171 HB THR 22 HB THR 22 -6.504 14.713 -7.958
172 HG1 THR 22 HG1 THR 22 -6.468 11.913 -7.782
173 HG21 THR 22 1HG2 THR 22 -4.570 13.908 -9.350
174 HG22 THR 22 2HG2 THR 22 -3.927 13.147 -7.894
175 HG23 THR 22 3HG2 THR 22 -4.124 14.898 -7.961
176 H TYR 23 H TYR 23 -3.490 13.751 -5.508
177 HA TYR 23 HA TYR 23 -3.595 16.601 -4.801
178 HB2 TYR 23 2HB TYR 23 -1.950 14.756 -3.122
179 HB3 TYR 23 3HB TYR 23 -2.671 16.306 -2.704
180 HD1 TYR 23 HD1 TYR 23 -3.394 12.718 -3.233
181 HD2 TYR 23 HD2 TYR 23 -4.832 16.429 -1.729
182 HE1 TYR 23 HE1 TYR 23 -5.265 11.547 -2.149
183 HE2 TYR 23 HE2 TYR 23 -6.706 15.268 -0.639
184 HH TYR 23 HH TYR 23 -7.094 12.810 0.229
185 H LEU 24 H LEU 24 -1.311 17.472 -4.457
186 HA LEU 24 HA LEU 24 0.398 16.401 -6.595
187 HB2 LEU 24 2HB LEU 24 -0.485 18.758 -6.737
188 HB3 LEU 24 3HB LEU 24 0.532 19.137 -5.348
189 HG LEU 24 HG LEU 24 2.447 18.214 -6.880
190 HD11 LEU 24 1HD1 LEU 24 0.267 17.982 -8.615
191 HD12 LEU 24 2HD1 LEU 24 1.977 17.809 -9.009
192 HD13 LEU 24 3HD1 LEU 24 1.187 19.375 -9.186
193 HD21 LEU 24 1HD2 LEU 24 1.225 20.900 -7.484
194 HD22 LEU 24 2HD2 LEU 24 2.925 20.441 -7.581
195 HD23 LEU 24 3HD2 LEU 24 2.126 20.541 -6.011
196 H ALA 25 H ALA 25 2.653 16.243 -6.286
197 HA ALA 25 HA ALA 25 3.527 16.278 -3.472
198 HB1 ALA 25 1HB ALA 25 3.410 14.014 -3.772
199 HB2 ALA 25 2HB ALA 25 3.751 14.112 -5.500
200 HB3 ALA 25 3HB ALA 25 5.056 14.314 -4.331
201 H LYS 26 H LYS 26 5.752 16.701 -3.110
202 HA LYS 26 HA LYS 26 7.044 18.116 -5.346
203 HB2 LYS 26 2HB LYS 26 6.586 19.670 -3.611
204 HB3 LYS 26 3HB LYS 26 7.145 18.561 -2.367
205 HG2 LYS 26 2HG LYS 26 8.733 20.373 -2.757
206 HG3 LYS 26 3HG LYS 26 9.430 18.798 -3.144
207 HD2 LYS 26 2HD LYS 26 9.845 19.446 -5.231
208 HD3 LYS 26 3HD LYS 26 8.155 19.897 -5.468
209 HE2 LYS 26 2HE LYS 26 9.173 21.923 -5.796
210 HE3 LYS 26 3HE LYS 26 8.859 22.004 -4.063
211 HZ1 LYS 26 1HZ LYS 26 11.234 20.900 -3.993
212 HZ2 LYS 26 2HZ LYS 26 11.039 22.578 -4.084
213 HZ3 LYS 26 3HZ LYS 26 11.396 21.691 -5.480
214 H CYS 27 H CYS 27 9.182 17.736 -5.827
215 HA CYS 27 HA CYS 27 10.380 15.394 -4.501
216 HB2 CYS 27 2HB CYS 27 10.315 16.308 -7.338
217 HB3 CYS 27 3HB CYS 27 11.758 15.468 -6.778
218 HA PRO 28 HA PRO 28 13.899 17.688 -3.241
219 HB2 PRO 28 2HB PRO 28 15.944 15.972 -3.736
220 HB3 PRO 28 3HB PRO 28 14.779 15.727 -2.430
221 HG2 PRO 28 2HG PRO 28 14.861 14.484 -5.152
222 HG3 PRO 28 3HG PRO 28 14.518 13.726 -3.586
223 HD2 PRO 28 2HD PRO 28 12.564 14.422 -5.327
224 HD3 PRO 28 3HD PRO 28 12.333 14.461 -3.567
225 H SER 29 H SER 29 15.535 19.029 -3.966
226 HA SER 29 HA SER 29 15.598 19.507 -6.805
227 HB2 SER 29 2HB SER 29 17.434 21.234 -5.851
228 HB3 SER 29 3HB SER 29 15.700 21.548 -5.791
229 HG SER 29 HG SER 29 17.449 20.776 -3.741
230 H ALA 30 H ALA 30 17.267 17.469 -4.780
231 HA ALA 30 HA ALA 30 19.925 17.622 -5.475
232 HB1 ALA 30 1HB ALA 30 19.253 14.873 -5.450
233 HB2 ALA 30 2HB ALA 30 19.963 15.840 -4.156
234 HB3 ALA 30 3HB ALA 30 18.210 15.688 -4.284
235 H ALA 31 H ALA 31 21.110 17.236 -7.246
236 HA ALA 31 HA ALA 31 19.912 16.979 -9.776
237 HB1 ALA 31 1HB ALA 31 22.693 16.954 -8.741
238 HB2 ALA 31 2HB ALA 31 22.415 16.337 -10.371
239 HB3 ALA 31 3HB ALA 31 21.945 17.987 -9.960
240 H ASN 32 H ASN 32 20.934 14.623 -7.465
241 HA ASN 32 HA ASN 32 21.068 12.449 -9.361
242 HB2 ASN 32 2HB ASN 32 21.999 12.883 -6.748
243 HB3 ASN 32 3HB ASN 32 20.802 11.598 -6.610
244 HD21 ASN 32 1HD2 ASN 32 23.927 12.473 -7.685
245 HD22 ASN 32 2HD2 ASN 32 24.410 10.919 -8.266
246 H THR 33 H THR 33 18.677 13.962 -7.393
247 HA THR 33 HA THR 33 16.782 11.793 -8.023
248 HB THR 33 HB THR 33 15.430 12.775 -6.078
249 HG1 THR 33 HG1 THR 33 16.865 14.678 -5.953
250 HG21 THR 33 1HG2 THR 33 16.246 11.134 -4.744
251 HG22 THR 33 2HG2 THR 33 17.917 11.668 -4.930
252 HG23 THR 33 3HG2 THR 33 17.152 10.708 -6.195
253 H LYS 34 H LYS 34 17.633 14.394 -9.425
254 HA LYS 34 HA LYS 34 15.131 15.878 -9.460
255 HB2 LYS 34 2HB LYS 34 17.893 16.327 -10.410
256 HB3 LYS 34 3HB LYS 34 16.626 17.017 -11.416
257 HG2 LYS 34 2HG LYS 34 16.245 17.536 -8.574
258 HG3 LYS 34 3HG LYS 34 17.751 18.197 -9.216
259 HD2 LYS 34 2HD LYS 34 15.322 18.610 -10.853
260 HD3 LYS 34 3HD LYS 34 15.405 19.497 -9.328
261 HE2 LYS 34 2HE LYS 34 17.738 19.490 -11.203
262 HE3 LYS 34 3HE LYS 34 16.370 20.563 -11.494
263 HZ1 LYS 34 1HZ LYS 34 16.816 21.058 -8.932
264 HZ2 LYS 34 2HZ LYS 34 17.568 21.921 -10.177
265 HZ3 LYS 34 3HZ LYS 34 18.391 20.660 -9.406
266 H CYS 35 H CYS 35 14.474 16.602 -11.806
267 HA CYS 35 HA CYS 35 14.309 14.168 -13.461
268 HB2 CYS 35 2HB CYS 35 12.228 16.304 -12.973
269 HB3 CYS 35 3HB CYS 35 12.086 15.071 -14.222
270 H GLU 36 H GLU 36 14.916 14.320 -15.533
271 HA GLU 36 HA GLU 36 15.904 16.889 -16.481
272 HB2 GLU 36 2HB GLU 36 17.137 15.698 -18.083
273 HB3 GLU 36 3HB GLU 36 17.182 14.676 -16.654
274 HG2 GLU 36 2HG GLU 36 16.665 13.085 -18.162
275 HG3 GLU 36 3HG GLU 36 15.027 13.641 -17.825
276 H LYS 37 H LYS 37 13.279 14.695 -17.017
277 HA LYS 37 HA LYS 37 12.132 16.573 -18.942
278 HB2 LYS 37 2HB LYS 37 13.324 14.457 -19.988
279 HB3 LYS 37 3HB LYS 37 11.830 13.657 -19.519
280 HG2 LYS 37 2HG LYS 37 10.644 15.542 -20.779
281 HG3 LYS 37 3HG LYS 37 12.227 15.886 -21.481
282 HD2 LYS 37 2HD LYS 37 12.184 13.280 -21.942
283 HD3 LYS 37 3HD LYS 37 10.440 13.538 -21.865
284 HE2 LYS 37 2HE LYS 37 10.982 15.530 -23.483
285 HE3 LYS 37 3HE LYS 37 12.437 14.593 -23.815
286 HZ1 LYS 37 1HZ LYS 37 11.289 13.090 -24.974
287 HZ2 LYS 37 2HZ LYS 37 10.063 14.252 -25.044
288 HZ3 LYS 37 3HZ LYS 37 10.013 13.040 -23.865
289 H ASP 38 H ASP 38 10.076 17.014 -18.479
290 HA ASP 38 HA ASP 38 8.774 16.024 -16.226
291 HB2 ASP 38 2HB ASP 38 6.938 17.341 -16.852
292 HB3 ASP 38 3HB ASP 38 8.310 18.166 -17.587
293 H GLY 39 H GLY 39 7.005 14.621 -15.950
294 HA2 GLY 39 2HA GLY 39 5.425 13.017 -16.702
295 HA3 GLY 39 3HA GLY 39 6.313 12.891 -18.214
296 H ASN 40 H ASN 40 8.738 12.841 -16.155
297 HA ASN 40 HA ASN 40 9.328 10.138 -16.423
298 HB2 ASN 40 2HB ASN 40 10.569 12.411 -15.299
299 HB3 ASN 40 3HB ASN 40 10.560 11.181 -14.040
300 HD21 ASN 40 1HD2 ASN 40 11.616 11.965 -17.272
301 HD22 ASN 40 2HD2 ASN 40 12.844 10.753 -17.374
302 H LYS 41 H LYS 41 9.943 8.861 -14.245
303 HA LYS 41 HA LYS 41 7.397 8.210 -13.062
304 HB2 LYS 41 2HB LYS 41 9.913 6.899 -13.459
305 HB3 LYS 41 3HB LYS 41 9.491 6.814 -11.754
306 HG2 LYS 41 2HG LYS 41 7.404 6.139 -13.759
307 HG3 LYS 41 3HG LYS 41 8.700 4.978 -13.461
308 HD2 LYS 41 2HD LYS 41 7.647 4.290 -11.630
309 HD3 LYS 41 3HD LYS 41 7.791 5.910 -10.945
310 HE2 LYS 41 2HE LYS 41 5.717 6.239 -12.671
311 HE3 LYS 41 3HE LYS 41 5.482 4.566 -12.167
312 HZ1 LYS 41 1HZ LYS 41 4.830 6.887 -10.767
313 HZ2 LYS 41 2HZ LYS 41 6.068 6.121 -9.905
314 HZ3 LYS 41 3HZ LYS 41 4.644 5.282 -10.265
315 H CYS 42 H CYS 42 6.924 8.200 -10.823
316 HA CYS 42 HA CYS 42 8.708 9.601 -9.013
317 HB2 CYS 42 2HB CYS 42 7.299 11.340 -10.236
318 HB3 CYS 42 3HB CYS 42 5.909 10.661 -9.395
319 H THR 43 H THR 43 8.003 9.490 -6.782
320 HA THR 43 HA THR 43 5.887 7.526 -6.254
321 HB THR 43 HB THR 43 8.122 7.192 -4.428
322 HG1 THR 43 HG1 THR 43 8.609 6.331 -7.088
323 HG21 THR 43 1HG2 THR 43 6.000 5.723 -5.190
324 HG22 THR 43 2HG2 THR 43 7.449 5.026 -4.466
325 HG23 THR 43 3HG2 THR 43 7.243 5.009 -6.217
326 H TYR 44 H TYR 44 4.790 7.801 -4.340
327 HA TYR 44 HA TYR 44 5.680 9.946 -2.548
328 HB2 TYR 44 2HB TYR 44 4.135 11.165 -3.798
329 HB3 TYR 44 3HB TYR 44 3.071 9.781 -4.019
330 HD1 TYR 44 HD1 TYR 44 1.393 9.236 -2.395
331 HD2 TYR 44 HD2 TYR 44 4.138 12.404 -1.666
332 HE1 TYR 44 HE1 TYR 44 0.004 9.998 -0.513
333 HE2 TYR 44 HE2 TYR 44 2.758 13.174 0.218
334 HH TYR 44 HH TYR 44 0.193 11.302 1.504
335 H ASP 45 H ASP 45 5.533 9.409 -0.468
336 HA ASP 45 HA ASP 45 4.118 6.939 0.226
337 HB2 ASP 45 2HB ASP 45 6.589 7.346 0.794
338 HB3 ASP 45 3HB ASP 45 5.997 8.460 2.023
339 H SER 46 H SER 46 2.200 7.053 1.166
340 HA SER 46 HA SER 46 1.198 9.568 2.168
341 HB2 SER 46 2HB SER 46 -0.927 8.511 2.276
342 HB3 SER 46 3HB SER 46 -0.152 7.866 0.829
343 HG SER 46 HG SER 46 0.045 5.953 1.761
344 H TYR 47 H TYR 47 2.866 6.939 3.464
345 HA TYR 47 HA TYR 47 1.719 7.031 6.103
346 HB2 TYR 47 2HB TYR 47 2.736 4.969 5.145
347 HB3 TYR 47 3HB TYR 47 4.309 5.756 5.199
348 HD1 TYR 47 HD1 TYR 47 5.447 6.123 7.317
349 HD2 TYR 47 HD2 TYR 47 1.651 4.204 7.178
350 HE1 TYR 47 HE1 TYR 47 5.762 5.343 9.629
351 HE2 TYR 47 HE2 TYR 47 1.956 3.421 9.489
352 HH TYR 47 HH TYR 47 4.618 3.122 10.993
353 H ASN 48 H ASN 48 4.690 8.185 4.556
354 HA ASN 48 HA ASN 48 5.277 9.750 6.979
355 HB2 ASN 48 2HB ASN 48 7.521 9.897 5.349
356 HB3 ASN 48 3HB ASN 48 7.323 8.855 6.754
357 HD21 ASN 48 1HD2 ASN 48 8.049 8.935 3.535
358 HD22 ASN 48 2HD2 ASN 48 7.775 7.274 3.145
359 H ARG 49 H ARG 49 3.768 10.109 4.145
360 HA ARG 49 HA ARG 49 3.303 11.836 2.732
361 HB2 ARG 49 2HB ARG 49 4.175 13.550 5.062
362 HB3 ARG 49 3HB ARG 49 3.097 14.017 3.753
363 HG2 ARG 49 2HG ARG 49 1.583 12.126 4.566
364 HG3 ARG 49 3HG ARG 49 2.578 12.135 6.024
365 HD2 ARG 49 2HD ARG 49 1.869 14.819 5.382
366 HD3 ARG 49 3HD ARG 49 0.409 13.830 5.359
367 HE ARG 49 HE ARG 49 2.017 13.339 7.668
368 HH11 ARG 49 1HH1 ARG 49 -0.337 15.499 6.285
369 HH12 ARG 49 2HH1 ARG 49 -0.940 16.034 7.819
370 HH21 ARG 49 1HH2 ARG 49 1.232 14.036 9.693
371 HH22 ARG 49 2HH2 ARG 49 -0.046 15.202 9.757
372 H LYS 50 H LYS 50 6.037 10.779 2.728
373 HA LYS 50 HA LYS 50 7.512 13.165 1.831
374 HB2 LYS 50 2HB LYS 50 9.081 12.353 3.221
375 HB3 LYS 50 3HB LYS 50 8.292 10.785 3.334
376 HG2 LYS 50 2HG LYS 50 9.811 11.508 0.868
377 HG3 LYS 50 3HG LYS 50 10.671 10.974 2.314
378 HD2 LYS 50 2HD LYS 50 8.382 9.291 1.652
379 HD3 LYS 50 3HD LYS 50 9.600 9.339 0.376
380 HE2 LYS 50 2HE LYS 50 11.323 8.761 2.044
381 HE3 LYS 50 3HE LYS 50 10.067 8.648 3.276
382 HZ1 LYS 50 1HZ LYS 50 9.490 7.071 0.955
383 HZ2 LYS 50 2HZ LYS 50 9.495 6.626 2.587
384 HZ3 LYS 50 3HZ LYS 50 10.937 6.611 1.701
385 H VAL 51 H VAL 51 8.391 13.235 -0.199
386 HA VAL 51 HA VAL 51 7.430 11.192 -2.066
387 HB VAL 51 HB VAL 51 8.694 13.822 -2.810
388 HG11 VAL 51 1HG1 VAL 51 8.454 12.018 -4.524
389 HG12 VAL 51 2HG1 VAL 51 6.706 12.120 -4.303
390 HG13 VAL 51 3HG1 VAL 51 7.603 13.512 -4.911
391 HG21 VAL 51 1HG2 VAL 51 6.809 14.269 -1.317
392 HG22 VAL 51 2HG2 VAL 51 6.447 14.765 -2.971
393 HG23 VAL 51 3HG2 VAL 51 5.766 13.270 -2.329
394 H LYS 52 H LYS 52 8.759 9.799 -3.034
395 HA LYS 52 HA LYS 52 11.660 10.271 -2.815
396 HB2 LYS 52 2HB LYS 52 10.999 8.386 -1.447
397 HB3 LYS 52 3HB LYS 52 10.126 7.667 -2.794
398 HG2 LYS 52 2HG LYS 52 12.314 7.502 -4.004
399 HG3 LYS 52 3HG LYS 52 13.100 7.994 -2.501
400 HD2 LYS 52 2HD LYS 52 11.248 5.877 -1.964
401 HD3 LYS 52 3HD LYS 52 12.318 5.401 -3.285
402 HE2 LYS 52 2HE LYS 52 14.201 6.305 -1.751
403 HE3 LYS 52 3HE LYS 52 13.002 6.154 -0.468
404 HZ1 LYS 52 1HZ LYS 52 14.044 4.123 -0.405
405 HZ2 LYS 52 2HZ LYS 52 14.267 4.045 -2.080
406 HZ3 LYS 52 3HZ LYS 52 12.733 3.778 -1.418
407 H CYS 53 H CYS 53 12.591 10.706 -4.693
408 HA CYS 53 HA CYS 53 11.564 9.383 -7.115
409 HB2 CYS 53 2HB CYS 53 12.789 12.114 -7.250
410 HB3 CYS 53 3HB CYS 53 11.671 11.340 -8.368
411 H ASP 54 H ASP 54 13.060 8.598 -8.535
412 HA ASP 54 HA ASP 54 15.892 9.149 -8.034
413 HB2 ASP 54 2HB ASP 54 16.121 6.532 -8.507
414 HB3 ASP 54 3HB ASP 54 15.923 7.176 -6.879
415 H PHE 55 H PHE 55 17.244 8.857 -9.822
416 HA PHE 55 HA PHE 55 15.847 8.387 -12.374
417 HB2 PHE 55 2HB PHE 55 17.347 10.684 -11.477
418 HB3 PHE 55 3HB PHE 55 18.106 9.978 -12.901
419 HD1 PHE 55 HD1 PHE 55 14.531 10.322 -11.908
420 HD2 PHE 55 HD2 PHE 55 17.580 11.287 -14.717
421 HE1 PHE 55 HE1 PHE 55 12.859 11.424 -13.339
422 HE2 PHE 55 HE2 PHE 55 15.914 12.391 -16.151
423 HZ PHE 55 HZ PHE 55 13.550 12.462 -15.463
424 H ARG 56 H ARG 56 17.484 7.907 -14.182
425 HA ARG 56 HA ARG 56 19.846 6.467 -13.297
426 HB2 ARG 56 2HB ARG 56 17.472 5.124 -14.577
427 HB3 ARG 56 3HB ARG 56 19.090 4.442 -14.669
428 HG2 ARG 56 2HG ARG 56 18.943 4.828 -12.029
429 HG3 ARG 56 3HG ARG 56 17.228 4.613 -12.386
430 HD2 ARG 56 2HD ARG 56 17.480 2.420 -12.696
431 HD3 ARG 56 3HD ARG 56 18.864 2.662 -13.761
432 HE ARG 56 HE ARG 56 20.232 2.148 -12.010
433 HH11 ARG 56 1HH1 ARG 56 17.112 3.053 -10.759
434 HH12 ARG 56 2HH1 ARG 56 17.508 2.654 -9.120
435 HH21 ARG 56 1HH2 ARG 56 20.766 1.619 -9.857
436 HH22 ARG 56 2HH2 ARG 56 19.588 1.839 -8.608
437 H HIS 57 H HIS 57 21.348 6.081 -14.949
438 HA HIS 57 HA HIS 57 22.468 6.506 -16.883
439 HB2 HIS 57 2HB HIS 57 19.898 5.655 -17.664
440 HB3 HIS 57 3HB HIS 57 20.279 7.044 -18.677
441 HD1 HIS 57 HD1 HIS 57 20.341 3.673 -19.080
442 HD2 HIS 57 HD2 HIS 57 23.358 6.511 -19.395
443 HE1 HIS 57 HE1 HIS 57 22.103 2.622 -20.534
Start of MODEL 20
1 H1 LEU 1 H LEU 1 0.918 -1.638 0.439
2 HA LEU 1 HA LEU 1 2.882 -0.970 -0.800
3 HB2 LEU 1 2HB LEU 1 0.369 -1.460 -2.305
4 HB3 LEU 1 3HB LEU 1 1.786 -0.943 -3.216
5 HG LEU 1 HG LEU 1 2.003 -3.274 -1.359
6 HD11 LEU 1 1HD1 LEU 1 0.847 -4.703 -2.639
7 HD12 LEU 1 2HD1 LEU 1 1.353 -3.928 -4.140
8 HD13 LEU 1 3HD1 LEU 1 0.012 -3.259 -3.210
9 HD21 LEU 1 1HD2 LEU 1 4.032 -2.434 -2.349
10 HD22 LEU 1 2HD2 LEU 1 3.315 -2.490 -3.960
11 HD23 LEU 1 3HD2 LEU 1 3.631 -3.987 -3.082
12 H GLU 2 H GLU 2 4.011 0.638 -1.801
13 HA GLU 2 HA GLU 2 3.301 3.287 -1.397
14 HB2 GLU 2 2HB GLU 2 5.429 1.853 -2.781
15 HB3 GLU 2 3HB GLU 2 5.040 3.383 -3.553
16 HG2 GLU 2 2HG GLU 2 5.837 4.613 -1.839
17 HG3 GLU 2 3HG GLU 2 5.338 3.442 -0.621
18 H TYR 3 H TYR 3 2.693 4.968 -2.838
19 HA TYR 3 HA TYR 3 0.744 4.103 -4.801
20 HB2 TYR 3 2HB TYR 3 1.447 6.745 -3.554
21 HB3 TYR 3 3HB TYR 3 0.407 6.669 -4.972
22 HD1 TYR 3 HD1 TYR 3 -1.687 5.175 -4.807
23 HD2 TYR 3 HD2 TYR 3 0.542 6.472 -1.423
24 HE1 TYR 3 HE1 TYR 3 -3.629 4.729 -3.364
25 HE2 TYR 3 HE2 TYR 3 -1.393 6.029 0.029
26 HH TYR 3 HH TYR 3 -4.027 4.210 -0.921
27 H LYS 4 H LYS 4 0.784 4.551 -6.982
28 HA LYS 4 HA LYS 4 3.410 4.893 -8.135
29 HB2 LYS 4 2HB LYS 4 2.148 3.256 -9.233
30 HB3 LYS 4 3HB LYS 4 0.690 4.239 -9.225
31 HG2 LYS 4 2HG LYS 4 1.218 5.261 -11.146
32 HG3 LYS 4 3HG LYS 4 2.926 5.397 -10.723
33 HD2 LYS 4 2HD LYS 4 3.466 3.428 -11.710
34 HD3 LYS 4 3HD LYS 4 1.926 2.674 -11.291
35 HE2 LYS 4 2HE LYS 4 0.815 3.717 -13.098
36 HE3 LYS 4 3HE LYS 4 2.158 4.824 -13.381
37 HZ1 LYS 4 1HZ LYS 4 1.965 1.953 -14.027
38 HZ2 LYS 4 2HZ LYS 4 3.476 2.690 -13.847
39 HZ3 LYS 4 3HZ LYS 4 2.403 3.242 -15.032
40 H GLY 5 H GLY 5 4.237 6.847 -8.464
41 HA2 GLY 5 2HA GLY 5 2.454 8.952 -9.505
42 HA3 GLY 5 3HA GLY 5 3.552 9.296 -8.177
43 H GLU 6 H GLU 6 3.498 10.632 -10.700
44 HA GLU 6 HA GLU 6 6.052 9.753 -11.873
45 HB2 GLU 6 2HB GLU 6 5.254 11.337 -13.782
46 HB3 GLU 6 3HB GLU 6 4.565 9.726 -13.646
47 HG2 GLU 6 2HG GLU 6 2.614 10.646 -12.513
48 HG3 GLU 6 3HG GLU 6 3.306 12.263 -12.627
49 H CYS 7 H CYS 7 7.413 11.555 -12.748
50 HA CYS 7 HA CYS 7 7.266 13.922 -10.998
51 HB2 CYS 7 2HB CYS 7 9.088 12.610 -10.194
52 HB3 CYS 7 3HB CYS 7 9.675 12.303 -11.825
53 H PHE 8 H PHE 8 8.080 15.889 -11.861
54 HA PHE 8 HA PHE 8 7.820 16.028 -14.769
55 HB2 PHE 8 2HB PHE 8 7.676 18.090 -12.578
56 HB3 PHE 8 3HB PHE 8 7.794 18.548 -14.274
57 HD1 PHE 8 HD1 PHE 8 5.822 19.069 -15.305
58 HD2 PHE 8 HD2 PHE 8 5.805 16.173 -12.186
59 HE1 PHE 8 HE1 PHE 8 3.384 18.839 -15.537
60 HE2 PHE 8 HE2 PHE 8 3.367 15.937 -12.414
61 HZ PHE 8 HZ PHE 8 2.153 17.270 -14.091
62 H THR 9 H THR 9 9.221 17.893 -15.747
63 HA THR 9 HA THR 9 11.827 17.069 -15.933
64 HB THR 9 HB THR 9 11.907 19.880 -16.282
65 HG1 THR 9 HG1 THR 9 9.810 20.255 -16.464
66 HG21 THR 9 1HG2 THR 9 12.624 17.652 -17.667
67 HG22 THR 9 2HG2 THR 9 12.637 19.286 -18.331
68 HG23 THR 9 3HG2 THR 9 11.259 18.225 -18.624
69 H LYS 10 H LYS 10 13.695 18.844 -15.465
70 HA LYS 10 HA LYS 10 14.332 18.594 -12.771
71 HB2 LYS 10 2HB LYS 10 15.598 19.550 -15.061
72 HB3 LYS 10 3HB LYS 10 15.567 20.935 -13.977
73 HG2 LYS 10 2HG LYS 10 17.367 20.103 -12.993
74 HG3 LYS 10 3HG LYS 10 16.356 18.790 -12.383
75 HD2 LYS 10 2HD LYS 10 17.653 17.399 -13.546
76 HD3 LYS 10 3HD LYS 10 16.914 18.065 -15.004
77 HE2 LYS 10 2HE LYS 10 19.262 19.407 -13.711
78 HE3 LYS 10 3HE LYS 10 19.489 18.045 -14.806
79 HZ1 LYS 10 1HZ LYS 10 19.655 19.988 -16.101
80 HZ2 LYS 10 2HZ LYS 10 18.270 20.675 -15.414
81 HZ3 LYS 10 3HZ LYS 10 18.129 19.344 -16.447
82 H ASP 11 H ASP 11 11.909 20.417 -13.985
83 HA ASP 11 HA ASP 11 12.165 22.854 -12.564
84 HB2 ASP 11 2HB ASP 11 10.301 21.681 -14.352
85 HB3 ASP 11 3HB ASP 11 9.408 22.165 -12.913
86 H ASN 12 H ASN 12 11.835 19.785 -11.411
87 HA ASN 12 HA ASN 12 11.371 18.913 -9.362
88 HB2 ASN 12 2HB ASN 12 12.226 21.542 -8.867
89 HB3 ASN 12 3HB ASN 12 10.782 21.326 -7.881
90 HD21 ASN 12 1HD2 ASN 12 13.127 18.876 -8.822
91 HD22 ASN 12 2HD2 ASN 12 13.675 18.526 -7.221
92 H THR 13 H THR 13 9.441 17.936 -9.855
93 HA THR 13 HA THR 13 7.118 18.940 -8.544
94 HB THR 13 HB THR 13 6.238 18.512 -11.263
95 HG1 THR 13 HG1 THR 13 7.223 20.269 -12.227
96 HG21 THR 13 1HG2 THR 13 5.571 21.066 -10.646
97 HG22 THR 13 2HG2 THR 13 5.840 20.398 -9.036
98 HG23 THR 13 3HG2 THR 13 4.662 19.652 -10.115
99 H CYS 14 H CYS 14 5.532 17.371 -8.276
100 HA CYS 14 HA CYS 14 5.945 14.788 -9.596
101 HB2 CYS 14 2HB CYS 14 7.136 14.693 -7.437
102 HB3 CYS 14 3HB CYS 14 5.647 15.129 -6.605
103 H LYS 15 H LYS 15 4.102 13.566 -9.875
104 HA LYS 15 HA LYS 15 1.582 14.702 -8.871
105 HB2 LYS 15 2HB LYS 15 1.884 15.411 -11.203
106 HB3 LYS 15 3HB LYS 15 2.089 13.733 -11.691
107 HG2 LYS 15 2HG LYS 15 -0.092 13.706 -12.092
108 HG3 LYS 15 3HG LYS 15 -0.326 13.742 -10.343
109 HD2 LYS 15 2HD LYS 15 0.145 16.391 -11.024
110 HD3 LYS 15 3HD LYS 15 -0.873 15.781 -12.331
111 HE2 LYS 15 2HE LYS 15 -1.707 14.991 -9.625
112 HE3 LYS 15 3HE LYS 15 -1.803 16.719 -9.959
113 HZ1 LYS 15 1HZ LYS 15 -3.421 16.427 -11.502
114 HZ2 LYS 15 2HZ LYS 15 -3.765 15.083 -10.535
115 HZ3 LYS 15 3HZ LYS 15 -2.884 14.891 -11.966
116 H TYR 16 H TYR 16 0.796 13.203 -7.543
117 HA TYR 16 HA TYR 16 0.918 10.384 -8.393
118 HB2 TYR 16 2HB TYR 16 0.940 9.739 -6.069
119 HB3 TYR 16 3HB TYR 16 2.217 10.921 -6.332
120 HD1 TYR 16 HD1 TYR 16 -0.630 10.067 -4.375
121 HD2 TYR 16 HD2 TYR 16 1.683 13.371 -5.731
122 HE1 TYR 16 HE1 TYR 16 -1.539 11.443 -2.551
123 HE2 TYR 16 HE2 TYR 16 0.781 14.756 -3.909
124 HH TYR 16 HH TYR 16 -0.239 14.500 -1.733
125 H LYS 17 H LYS 17 -0.897 9.041 -7.844
126 HA LYS 17 HA LYS 17 -3.410 10.561 -7.592
127 HB2 LYS 17 2HB LYS 17 -3.289 9.643 -9.800
128 HB3 LYS 17 3HB LYS 17 -2.794 8.071 -9.184
129 HG2 LYS 17 2HG LYS 17 -4.984 7.764 -8.168
130 HG3 LYS 17 3HG LYS 17 -5.484 9.355 -8.746
131 HD2 LYS 17 2HD LYS 17 -4.431 7.427 -10.745
132 HD3 LYS 17 3HD LYS 17 -6.038 7.124 -10.081
133 HE2 LYS 17 2HE LYS 17 -6.862 9.187 -10.869
134 HE3 LYS 17 3HE LYS 17 -5.241 9.800 -11.191
135 HZ1 LYS 17 1HZ LYS 17 -6.940 8.141 -12.827
136 HZ2 LYS 17 2HZ LYS 17 -5.339 7.601 -12.737
137 HZ3 LYS 17 3HZ LYS 17 -5.673 9.169 -13.277
138 H ILE 18 H ILE 18 -4.886 9.913 -6.108
139 HA ILE 18 HA ILE 18 -4.302 7.456 -4.593
140 HB ILE 18 HB ILE 18 -5.322 10.033 -3.395
141 HG12 ILE 18 2HG1 ILE 18 -2.948 10.170 -4.120
142 HG13 ILE 18 3HG1 ILE 18 -3.136 10.273 -2.373
143 HG21 ILE 18 1HG2 ILE 18 -4.758 8.815 -1.252
144 HG22 ILE 18 2HG2 ILE 18 -6.158 8.216 -2.140
145 HG23 ILE 18 3HG2 ILE 18 -4.623 7.352 -2.227
146 HD11 ILE 18 1HD1 ILE 18 -2.538 7.882 -2.214
147 HD12 ILE 18 2HD1 ILE 18 -2.241 7.877 -3.953
148 HD13 ILE 18 3HD1 ILE 18 -1.256 8.885 -2.894
149 H ASP 19 H ASP 19 -6.078 6.329 -3.762
150 HA ASP 19 HA ASP 19 -8.332 6.133 -5.321
151 HB2 ASP 19 2HB ASP 19 -7.882 5.408 -2.429
152 HB3 ASP 19 3HB ASP 19 -9.384 5.031 -3.268
153 H GLY 20 H GLY 20 -9.929 7.506 -5.714
154 HA2 GLY 20 2HA GLY 20 -11.879 8.664 -4.864
155 HA3 GLY 20 3HA GLY 20 -10.910 9.182 -3.493
156 H LYS 21 H LYS 21 -9.097 10.671 -3.976
157 HA LYS 21 HA LYS 21 -9.677 12.373 -6.309
158 HB2 LYS 21 2HB LYS 21 -9.239 13.156 -3.440
159 HB3 LYS 21 3HB LYS 21 -8.893 14.284 -4.744
160 HG2 LYS 21 2HG LYS 21 -11.557 12.964 -4.263
161 HG3 LYS 21 3HG LYS 21 -11.126 14.602 -3.766
162 HD2 LYS 21 2HD LYS 21 -11.191 13.565 -6.600
163 HD3 LYS 21 3HD LYS 21 -12.393 14.621 -5.854
164 HE2 LYS 21 2HE LYS 21 -10.047 15.960 -5.384
165 HE3 LYS 21 3HE LYS 21 -9.767 15.251 -6.974
166 HZ1 LYS 21 1HZ LYS 21 -11.234 17.521 -6.380
167 HZ2 LYS 21 2HZ LYS 21 -12.366 16.354 -6.846
168 HZ3 LYS 21 3HZ LYS 21 -11.091 16.756 -7.883
169 H THR 22 H THR 22 -7.906 13.490 -7.212
170 HA THR 22 HA THR 22 -5.323 12.225 -6.630
171 HB THR 22 HB THR 22 -6.216 13.781 -9.066
172 HG1 THR 22 HG1 THR 22 -7.106 11.644 -8.834
173 HG21 THR 22 1HG2 THR 22 -3.642 12.279 -8.570
174 HG22 THR 22 2HG2 THR 22 -3.809 14.034 -8.621
175 HG23 THR 22 3HG2 THR 22 -4.109 13.077 -10.071
176 H TYR 23 H TYR 23 -3.514 13.390 -6.129
177 HA TYR 23 HA TYR 23 -3.781 16.310 -5.933
178 HB2 TYR 23 2HB TYR 23 -2.327 14.807 -3.790
179 HB3 TYR 23 3HB TYR 23 -3.069 16.401 -3.724
180 HD1 TYR 23 HD1 TYR 23 -5.317 16.677 -3.023
181 HD2 TYR 23 HD2 TYR 23 -3.785 12.772 -3.736
182 HE1 TYR 23 HE1 TYR 23 -7.321 15.706 -1.978
183 HE2 TYR 23 HE2 TYR 23 -5.785 11.791 -2.694
184 HH TYR 23 HH TYR 23 -7.548 12.349 -1.208
185 H LEU 24 H LEU 24 -1.590 17.343 -5.495
186 HA LEU 24 HA LEU 24 0.401 16.019 -7.204
187 HB2 LEU 24 2HB LEU 24 -0.495 18.777 -6.860
188 HB3 LEU 24 3HB LEU 24 1.259 18.605 -6.872
189 HG LEU 24 HG LEU 24 -0.089 17.183 -9.048
190 HD11 LEU 24 1HD1 LEU 24 -0.009 20.143 -9.364
191 HD12 LEU 24 2HD1 LEU 24 -1.404 19.401 -8.581
192 HD13 LEU 24 3HD1 LEU 24 -0.968 18.941 -10.226
193 HD21 LEU 24 1HD2 LEU 24 1.815 19.200 -9.798
194 HD22 LEU 24 2HD2 LEU 24 1.928 17.446 -9.939
195 HD23 LEU 24 3HD2 LEU 24 2.431 18.246 -8.449
196 H ALA 25 H ALA 25 2.595 15.992 -6.608
197 HA ALA 25 HA ALA 25 3.107 16.501 -3.750
198 HB1 ALA 25 1HB ALA 25 3.516 14.074 -5.351
199 HB2 ALA 25 2HB ALA 25 4.880 14.535 -4.332
200 HB3 ALA 25 3HB ALA 25 3.293 14.267 -3.611
201 H LYS 26 H LYS 26 5.294 17.034 -3.190
202 HA LYS 26 HA LYS 26 6.752 18.295 -5.417
203 HB2 LYS 26 2HB LYS 26 6.025 19.975 -3.892
204 HB3 LYS 26 3HB LYS 26 6.543 19.032 -2.500
205 HG2 LYS 26 2HG LYS 26 8.034 20.924 -2.981
206 HG3 LYS 26 3HG LYS 26 8.859 19.366 -3.077
207 HD2 LYS 26 2HD LYS 26 9.436 19.740 -5.194
208 HD3 LYS 26 3HD LYS 26 7.761 20.076 -5.640
209 HE2 LYS 26 2HE LYS 26 9.477 22.116 -4.256
210 HE3 LYS 26 3HE LYS 26 9.489 21.929 -6.009
211 HZ1 LYS 26 1HZ LYS 26 7.515 23.144 -4.312
212 HZ2 LYS 26 2HZ LYS 26 6.849 22.051 -5.418
213 HZ3 LYS 26 3HZ LYS 26 7.787 23.346 -5.970
214 H CYS 27 H CYS 27 8.923 17.943 -5.667
215 HA CYS 27 HA CYS 27 10.094 15.858 -3.946
216 HB2 CYS 27 2HB CYS 27 10.247 16.376 -6.882
217 HB3 CYS 27 3HB CYS 27 11.644 15.656 -6.088
218 HA PRO 28 HA PRO 28 13.403 18.484 -2.767
219 HB2 PRO 28 2HB PRO 28 15.542 16.813 -2.835
220 HB3 PRO 28 3HB PRO 28 14.279 16.708 -1.603
221 HG2 PRO 28 2HG PRO 28 14.637 15.083 -4.092
222 HG3 PRO 28 3HG PRO 28 14.189 14.549 -2.462
223 HD2 PRO 28 2HD PRO 28 12.367 14.887 -4.436
224 HD3 PRO 28 3HD PRO 28 11.986 15.174 -2.726
225 H SER 29 H SER 29 15.320 19.577 -3.466
226 HA SER 29 HA SER 29 15.504 19.747 -6.358
227 HB2 SER 29 2HB SER 29 17.309 21.422 -4.735
228 HB3 SER 29 3HB SER 29 16.215 21.878 -6.040
229 HG SER 29 HG SER 29 14.767 22.391 -4.611
230 H ALA 30 H ALA 30 16.913 17.847 -4.107
231 HA ALA 30 HA ALA 30 19.651 17.946 -4.566
232 HB1 ALA 30 1HB ALA 30 17.846 16.217 -3.251
233 HB2 ALA 30 2HB ALA 30 18.865 15.220 -4.290
234 HB3 ALA 30 3HB ALA 30 19.601 16.288 -3.095
235 H ALA 31 H ALA 31 20.942 17.392 -6.209
236 HA ALA 31 HA ALA 31 19.904 16.817 -8.762
237 HB1 ALA 31 1HB ALA 31 22.739 16.170 -8.142
238 HB2 ALA 31 2HB ALA 31 22.048 17.018 -9.526
239 HB3 ALA 31 3HB ALA 31 22.205 17.842 -7.974
240 H ASN 32 H ASN 32 20.729 14.785 -6.118
241 HA ASN 32 HA ASN 32 21.102 12.403 -7.708
242 HB2 ASN 32 2HB ASN 32 21.552 13.185 -4.978
243 HB3 ASN 32 3HB ASN 32 20.608 11.699 -5.016
244 HD21 ASN 32 1HD2 ASN 32 23.613 13.211 -5.925
245 HD22 ASN 32 2HD2 ASN 32 24.490 11.749 -6.207
246 H THR 33 H THR 33 18.502 14.042 -6.110
247 HA THR 33 HA THR 33 16.710 11.785 -6.732
248 HB THR 33 HB THR 33 15.337 13.475 -4.978
249 HG1 THR 33 HG1 THR 33 16.867 14.393 -3.845
250 HG21 THR 33 1HG2 THR 33 16.519 10.767 -4.932
251 HG22 THR 33 2HG2 THR 33 14.869 11.290 -4.596
252 HG23 THR 33 3HG2 THR 33 16.118 11.466 -3.365
253 H LYS 34 H LYS 34 17.646 14.282 -8.265
254 HA LYS 34 HA LYS 34 15.104 15.649 -8.682
255 HB2 LYS 34 2HB LYS 34 17.938 16.217 -9.265
256 HB3 LYS 34 3HB LYS 34 16.806 16.750 -10.501
257 HG2 LYS 34 2HG LYS 34 15.833 17.472 -7.901
258 HG3 LYS 34 3HG LYS 34 17.485 18.053 -8.121
259 HD2 LYS 34 2HD LYS 34 15.580 18.445 -10.364
260 HD3 LYS 34 3HD LYS 34 15.364 19.446 -8.926
261 HE2 LYS 34 2HE LYS 34 17.883 19.921 -9.140
262 HE3 LYS 34 3HE LYS 34 17.722 19.283 -10.775
263 HZ1 LYS 34 1HZ LYS 34 16.127 21.536 -9.682
264 HZ2 LYS 34 2HZ LYS 34 16.106 20.967 -11.274
265 HZ3 LYS 34 3HZ LYS 34 17.495 21.713 -10.662
266 H CYS 35 H CYS 35 14.594 16.152 -11.066
267 HA CYS 35 HA CYS 35 14.786 13.634 -12.584
268 HB2 CYS 35 2HB CYS 35 12.625 15.751 -12.597
269 HB3 CYS 35 3HB CYS 35 12.670 14.370 -13.689
270 H GLU 36 H GLU 36 15.624 13.654 -14.586
271 HA GLU 36 HA GLU 36 16.738 16.159 -15.560
272 HB2 GLU 36 2HB GLU 36 18.253 14.312 -15.576
273 HB3 GLU 36 3HB GLU 36 17.091 13.285 -16.405
274 HG2 GLU 36 2HG GLU 36 18.924 14.088 -17.852
275 HG3 GLU 36 3HG GLU 36 17.319 14.538 -18.425
276 H LYS 37 H LYS 37 14.157 13.967 -16.262
277 HA LYS 37 HA LYS 37 13.302 15.713 -18.451
278 HB2 LYS 37 2HB LYS 37 14.513 13.458 -19.147
279 HB3 LYS 37 3HB LYS 37 12.927 12.775 -18.812
280 HG2 LYS 37 2HG LYS 37 11.944 13.823 -20.582
281 HG3 LYS 37 3HG LYS 37 13.077 15.177 -20.552
282 HD2 LYS 37 2HD LYS 37 14.330 12.604 -21.153
283 HD3 LYS 37 3HD LYS 37 13.124 13.102 -22.342
284 HE2 LYS 37 2HE LYS 37 14.420 15.419 -22.063
285 HE3 LYS 37 3HE LYS 37 15.734 14.321 -21.644
286 HZ1 LYS 37 1HZ LYS 37 14.120 14.006 -24.107
287 HZ2 LYS 37 2HZ LYS 37 15.601 13.279 -23.733
288 HZ3 LYS 37 3HZ LYS 37 15.531 14.938 -24.059
289 H ASP 38 H ASP 38 11.044 15.697 -18.846
290 HA ASP 38 HA ASP 38 9.457 15.393 -16.527
291 HB2 ASP 38 2HB ASP 38 7.631 16.158 -17.851
292 HB3 ASP 38 3HB ASP 38 9.059 17.010 -18.435
293 H GLY 39 H GLY 39 7.733 13.961 -16.104
294 HA2 GLY 39 2HA GLY 39 6.460 12.019 -16.377
295 HA3 GLY 39 3HA GLY 39 7.398 11.633 -17.812
296 H ASN 40 H ASN 40 9.581 12.424 -15.489
297 HA ASN 40 HA ASN 40 10.727 9.928 -15.260
298 HB2 ASN 40 2HB ASN 40 11.056 12.514 -14.000
299 HB3 ASN 40 3HB ASN 40 11.326 11.215 -12.842
300 HD21 ASN 40 1HD2 ASN 40 12.038 11.714 -16.285
301 HD22 ASN 40 2HD2 ASN 40 13.713 11.303 -16.170
302 H LYS 41 H LYS 41 11.066 8.784 -13.060
303 HA LYS 41 HA LYS 41 8.449 7.913 -12.175
304 HB2 LYS 41 2HB LYS 41 11.002 6.720 -12.432
305 HB3 LYS 41 3HB LYS 41 10.592 6.675 -10.722
306 HG2 LYS 41 2HG LYS 41 8.463 5.851 -12.588
307 HG3 LYS 41 3HG LYS 41 9.865 4.784 -12.473
308 HD2 LYS 41 2HD LYS 41 9.122 3.974 -10.541
309 HD3 LYS 41 3HD LYS 41 9.095 5.596 -9.845
310 HE2 LYS 41 2HE LYS 41 6.867 5.759 -11.276
311 HE3 LYS 41 3HE LYS 41 6.903 4.008 -11.070
312 HZ1 LYS 41 1HZ LYS 41 5.651 4.945 -9.295
313 HZ2 LYS 41 2HZ LYS 41 6.868 6.060 -8.928
314 HZ3 LYS 41 3HZ LYS 41 7.120 4.412 -8.645
315 H CYS 42 H CYS 42 7.477 8.487 -10.339
316 HA CYS 42 HA CYS 42 9.089 9.807 -8.256
317 HB2 CYS 42 2HB CYS 42 7.651 11.388 -9.607
318 HB3 CYS 42 3HB CYS 42 6.246 10.550 -8.957
319 H THR 43 H THR 43 8.171 9.692 -6.090
320 HA THR 43 HA THR 43 6.219 7.551 -5.671
321 HB THR 43 HB THR 43 8.117 7.176 -3.638
322 HG1 THR 43 HG1 THR 43 9.927 7.746 -4.581
323 HG21 THR 43 1HG2 THR 43 8.334 4.960 -4.586
324 HG22 THR 43 2HG2 THR 43 7.693 5.522 -6.129
325 HG23 THR 43 3HG2 THR 43 6.654 5.482 -4.705
326 H TYR 44 H TYR 44 4.954 7.801 -3.878
327 HA TYR 44 HA TYR 44 5.572 10.057 -2.093
328 HB2 TYR 44 2HB TYR 44 3.902 10.997 -3.430
329 HB3 TYR 44 3HB TYR 44 3.026 9.477 -3.576
330 HD1 TYR 44 HD1 TYR 44 4.162 11.687 -0.773
331 HD2 TYR 44 HD2 TYR 44 0.985 9.461 -2.521
332 HE1 TYR 44 HE1 TYR 44 2.679 12.373 1.065
333 HE2 TYR 44 HE2 TYR 44 -0.508 10.142 -0.689
334 HH TYR 44 HH TYR 44 -0.059 12.609 1.229
335 H ASP 45 H ASP 45 5.634 9.464 -0.038
336 HA ASP 45 HA ASP 45 4.305 6.966 0.751
337 HB2 ASP 45 2HB ASP 45 6.827 7.317 1.075
338 HB3 ASP 45 3HB ASP 45 6.384 8.434 2.363
339 H SER 46 H SER 46 2.475 7.122 1.848
340 HA SER 46 HA SER 46 1.630 9.637 2.973
341 HB2 SER 46 2HB SER 46 -0.458 8.791 2.807
342 HB3 SER 46 3HB SER 46 0.297 7.496 1.878
343 HG SER 46 HG SER 46 -0.058 6.166 3.468
344 H TYR 47 H TYR 47 3.406 7.007 4.081
345 HA TYR 47 HA TYR 47 2.518 7.069 6.820
346 HB2 TYR 47 2HB TYR 47 3.472 5.033 5.694
347 HB3 TYR 47 3HB TYR 47 5.042 5.829 5.710
348 HD1 TYR 47 HD1 TYR 47 6.434 5.648 7.578
349 HD2 TYR 47 HD2 TYR 47 2.312 4.666 7.956
350 HE1 TYR 47 HE1 TYR 47 6.853 4.785 9.843
351 HE2 TYR 47 HE2 TYR 47 2.719 3.802 10.222
352 HH TYR 47 HH TYR 47 4.203 3.601 11.877
353 H ASN 48 H ASN 48 5.326 8.246 5.007
354 HA ASN 48 HA ASN 48 6.140 9.789 7.377
355 HB2 ASN 48 2HB ASN 48 8.184 9.941 5.461
356 HB3 ASN 48 3HB ASN 48 8.184 8.987 6.941
357 HD21 ASN 48 1HD2 ASN 48 8.477 8.878 3.648
358 HD22 ASN 48 2HD2 ASN 48 8.202 7.190 3.401
359 H ARG 49 H ARG 49 4.404 10.149 4.646
360 HA ARG 49 HA ARG 49 3.799 11.891 3.307
361 HB2 ARG 49 2HB ARG 49 4.818 13.678 5.509
362 HB3 ARG 49 3HB ARG 49 3.505 13.987 4.382
363 HG2 ARG 49 2HG ARG 49 2.458 11.865 5.523
364 HG3 ARG 49 3HG ARG 49 3.545 12.314 6.838
365 HD2 ARG 49 2HD ARG 49 1.792 14.382 5.582
366 HD3 ARG 49 3HD ARG 49 1.116 13.261 6.764
367 HE ARG 49 HE ARG 49 3.417 14.304 7.890
368 HH11 ARG 49 1HH1 ARG 49 0.350 15.492 6.749
369 HH12 ARG 49 2HH1 ARG 49 0.304 16.821 7.860
370 HH21 ARG 49 1HH2 ARG 49 3.369 16.051 9.357
371 HH22 ARG 49 2HH2 ARG 49 2.022 17.139 9.342
372 H LYS 50 H LYS 50 6.529 10.891 3.059
373 HA LYS 50 HA LYS 50 7.906 13.325 2.136
374 HB2 LYS 50 2HB LYS 50 9.380 12.335 3.630
375 HB3 LYS 50 3HB LYS 50 8.896 10.703 3.186
376 HG2 LYS 50 2HG LYS 50 10.331 10.602 1.435
377 HG3 LYS 50 3HG LYS 50 10.220 12.331 1.099
378 HD2 LYS 50 2HD LYS 50 12.245 12.472 2.042
379 HD3 LYS 50 3HD LYS 50 11.401 12.268 3.579
380 HE2 LYS 50 2HE LYS 50 11.710 9.826 3.384
381 HE3 LYS 50 3HE LYS 50 12.623 10.081 1.898
382 HZ1 LYS 50 1HZ LYS 50 13.774 9.881 4.261
383 HZ2 LYS 50 2HZ LYS 50 13.508 11.552 4.253
384 HZ3 LYS 50 3HZ LYS 50 14.417 10.834 3.020
385 H VAL 51 H VAL 51 8.525 13.518 0.038
386 HA VAL 51 HA VAL 51 7.734 11.333 -1.775
387 HB VAL 51 HB VAL 51 7.904 14.279 -2.423
388 HG11 VAL 51 1HG1 VAL 51 6.577 12.134 -4.052
389 HG12 VAL 51 2HG1 VAL 51 7.048 13.763 -4.543
390 HG13 VAL 51 3HG1 VAL 51 8.282 12.535 -4.255
391 HG21 VAL 51 1HG2 VAL 51 5.851 14.530 -1.616
392 HG22 VAL 51 2HG2 VAL 51 5.264 13.207 -2.624
393 HG23 VAL 51 3HG2 VAL 51 5.902 12.872 -1.014
394 H LYS 52 H LYS 52 9.356 10.314 -2.727
395 HA LYS 52 HA LYS 52 11.894 11.758 -3.121
396 HB2 LYS 52 2HB LYS 52 12.235 9.960 -1.581
397 HB3 LYS 52 3HB LYS 52 11.353 8.834 -2.605
398 HG2 LYS 52 2HG LYS 52 13.121 9.019 -4.301
399 HG3 LYS 52 3HG LYS 52 14.013 10.101 -3.229
400 HD2 LYS 52 2HD LYS 52 13.201 7.296 -2.484
401 HD3 LYS 52 3HD LYS 52 14.769 7.711 -3.181
402 HE2 LYS 52 2HE LYS 52 15.182 9.230 -1.291
403 HE3 LYS 52 3HE LYS 52 13.632 8.766 -0.592
404 HZ1 LYS 52 1HZ LYS 52 14.635 6.387 -0.803
405 HZ2 LYS 52 2HZ LYS 52 15.054 7.374 0.505
406 HZ3 LYS 52 3HZ LYS 52 16.113 7.212 -0.804
407 H CYS 53 H CYS 53 12.775 11.850 -5.117
408 HA CYS 53 HA CYS 53 11.356 10.431 -7.276
409 HB2 CYS 53 2HB CYS 53 12.558 13.192 -7.193
410 HB3 CYS 53 3HB CYS 53 12.235 12.370 -8.717
411 H ASP 54 H ASP 54 12.571 9.565 -8.970
412 HA ASP 54 HA ASP 54 15.487 9.550 -8.618
413 HB2 ASP 54 2HB ASP 54 15.233 7.051 -9.431
414 HB3 ASP 54 3HB ASP 54 15.087 7.464 -7.725
415 H PHE 55 H PHE 55 16.698 9.271 -10.507
416 HA PHE 55 HA PHE 55 15.842 10.495 -12.795
417 HB2 PHE 55 2HB PHE 55 17.792 9.690 -13.865
418 HB3 PHE 55 3HB PHE 55 18.213 9.792 -12.158
419 HD1 PHE 55 HD1 PHE 55 19.390 8.077 -14.517
420 HD2 PHE 55 HD2 PHE 55 16.731 7.275 -11.292
421 HE1 PHE 55 HE1 PHE 55 20.070 5.712 -14.549
422 HE2 PHE 55 HE2 PHE 55 17.407 4.910 -11.318
423 HZ PHE 55 HZ PHE 55 19.079 4.126 -12.947
424 H ARG 56 H ARG 56 15.540 9.572 -14.996
425 HA ARG 56 HA ARG 56 14.602 6.904 -15.314
426 HB2 ARG 56 2HB ARG 56 12.713 8.769 -14.323
427 HB3 ARG 56 3HB ARG 56 12.296 8.459 -16.003
428 HG2 ARG 56 2HG ARG 56 12.617 6.404 -13.826
429 HG3 ARG 56 3HG ARG 56 11.105 6.940 -14.561
430 HD2 ARG 56 2HD ARG 56 12.227 6.178 -16.780
431 HD3 ARG 56 3HD ARG 56 13.282 5.248 -15.717
432 HE ARG 56 HE ARG 56 11.547 3.810 -15.310
433 HH11 ARG 56 1HH1 ARG 56 10.306 6.717 -16.768
434 HH12 ARG 56 2HH1 ARG 56 8.708 6.084 -16.981
435 HH21 ARG 56 1HH2 ARG 56 9.446 2.965 -15.586
436 HH22 ARG 56 2HH2 ARG 56 8.219 3.950 -16.307
437 H HIS 57 H HIS 57 14.145 6.385 -17.486
438 HA HIS 57 HA HIS 57 14.337 6.546 -19.748
439 HB2 HIS 57 2HB HIS 57 12.976 8.865 -18.970
440 HB3 HIS 57 3HB HIS 57 14.236 9.424 -20.065
441 HD1 HIS 57 HD1 HIS 57 14.280 7.289 -22.179
442 HD2 HIS 57 HD2 HIS 57 10.756 8.718 -20.505
443 HE1 HIS 57 HE1 HIS 57 12.483 6.788 -23.865
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