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 |
|
|
16755 |
2aqa   |
6846 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 2 H HIS 2 10.108 20.281 25.785
2 HA HIS 2 HA HIS 2 12.477 21.507 24.534
3 1HB HIS 2 2HB HIS 2 13.569 21.184 26.820
4 2HB HIS 2 3HB HIS 2 12.382 22.478 26.687
5 HD1 HIS 2 1HD HIS 2 11.790 18.776 27.322
6 HD2 HIS 2 2HD HIS 2 11.195 22.472 29.125
7 HE1 HIS 2 1HE HIS 2 10.478 18.301 29.414
8 H LEU 3 H LEU 3 10.789 18.718 24.956
9 HA LEU 3 HA LEU 3 12.871 16.856 25.495
10 1HB LEU 3 2HB LEU 3 10.198 16.468 24.156
11 2HB LEU 3 3HB LEU 3 11.262 15.169 24.691
12 HG LEU 3 HG LEU 3 10.492 17.108 26.772
13 1HD1 LEU 3 1HD1 LEU 3 8.336 17.120 26.072
14 2HD1 LEU 3 2HD1 LEU 3 8.313 15.587 26.941
15 3HD1 LEU 3 3HD1 LEU 3 8.494 15.603 25.188
16 1HD2 LEU 3 1HD2 LEU 3 9.915 14.408 27.403
17 2HD2 LEU 3 2HD2 LEU 3 11.236 15.416 27.997
18 3HD2 LEU 3 3HD2 LEU 3 11.455 14.441 26.543
19 H MET 4 H MET 4 14.077 15.595 24.112
20 HA MET 4 HA MET 4 14.192 16.550 21.336
21 1HB MET 4 2HB MET 4 16.262 15.048 22.949
22 2HB MET 4 3HB MET 4 16.470 15.618 21.298
23 1HG MET 4 2HG MET 4 16.163 17.935 22.104
24 2HG MET 4 3HG MET 4 16.086 17.315 23.752
25 1HE MET 4 1HE MET 4 18.722 19.417 23.660
26 2HE MET 4 2HE MET 4 19.474 19.126 22.092
27 3HE MET 4 3HE MET 4 17.738 19.423 22.196
28 H TYR 5 H TYR 5 12.305 14.528 22.440
29 HA TYR 5 HA TYR 5 12.526 12.634 20.314
30 1HB TYR 5 2HB TYR 5 12.626 10.614 21.772
31 2HB TYR 5 3HB TYR 5 14.109 11.561 21.786
32 HD1 TYR 5 1HD TYR 5 14.566 13.072 23.754
33 HD2 TYR 5 2HD TYR 5 11.434 10.191 23.764
34 HE1 TYR 5 1HE TYR 5 14.468 13.195 26.208
35 HE2 TYR 5 2HE TYR 5 11.327 10.308 26.218
36 HH TYR 5 HH TYR 5 12.035 11.393 28.043
37 H THR 6 H THR 6 10.590 11.668 19.869
38 HA THR 6 HA THR 6 8.304 12.641 21.388
39 HB THR 6 HB THR 6 6.936 11.826 19.541
40 HG1 THR 6 1HG THR 6 7.724 10.196 18.451
41 1HG2 THR 6 1HG2 THR 6 7.980 13.178 17.683
42 2HG2 THR 6 2HG2 THR 6 9.376 13.404 18.737
43 3HG2 THR 6 3HG2 THR 6 7.797 14.023 19.219
44 H LEU 7 H LEU 7 6.890 11.385 22.507
45 HA LEU 7 HA LEU 7 7.752 8.662 23.088
46 1HB LEU 7 2HB LEU 7 5.641 10.396 24.362
47 2HB LEU 7 3HB LEU 7 6.083 8.779 24.906
48 HG LEU 7 HG LEU 7 7.788 11.264 24.995
49 1HD1 LEU 7 1HD1 LEU 7 6.477 11.413 26.858
50 2HD1 LEU 7 2HD1 LEU 7 7.775 10.397 27.483
51 3HD1 LEU 7 3HD1 LEU 7 6.251 9.667 26.978
52 1HD2 LEU 7 1HD2 LEU 7 9.078 9.256 26.395
53 2HD2 LEU 7 2HD2 LEU 7 9.549 9.912 24.827
54 3HD2 LEU 7 3HD2 LEU 7 8.541 8.466 24.912
55 H GLY 8 H GLY 8 6.142 6.924 23.241
56 1HA GLY 8 2HA GLY 8 4.311 7.061 20.957
57 2HA GLY 8 3HA GLY 8 4.876 5.594 21.743
58 HA PRO 9 HA PRO 9 0.518 6.588 23.127
59 1HB PRO 9 2HB PRO 9 -0.545 4.195 22.410
60 2HB PRO 9 3HB PRO 9 -0.449 5.572 21.307
61 1HG PRO 9 2HG PRO 9 1.346 3.186 21.521
62 2HG PRO 9 3HG PRO 9 0.706 3.977 20.069
63 1HD PRO 9 2HD PRO 9 3.227 4.397 20.966
64 2HD PRO 9 3HD PRO 9 2.288 5.653 20.133
65 H ASP 10 H ASP 10 2.931 4.240 23.722
66 HA ASP 10 HA ASP 10 1.527 3.293 26.128
67 1HB ASP 10 2HB ASP 10 2.128 1.407 24.850
68 2HB ASP 10 3HB ASP 10 3.705 2.077 24.444
69 H GLY 11 H GLY 11 4.209 5.119 24.979
70 1HA GLY 11 2HA GLY 11 5.121 6.712 26.631
71 2HA GLY 11 3HA GLY 11 5.193 5.363 27.756
72 H LYS 12 H LYS 12 6.023 4.631 24.521
73 HA LYS 12 HA LYS 12 8.753 4.101 25.305
74 1HB LYS 12 2HB LYS 12 7.020 2.887 23.567
75 2HB LYS 12 3HB LYS 12 8.050 3.794 22.467
76 1HG LYS 12 2HG LYS 12 8.982 1.626 22.696
77 2HG LYS 12 3HG LYS 12 10.026 2.743 23.578
78 1HD LYS 12 2HD LYS 12 9.233 2.004 25.663
79 2HD LYS 12 3HD LYS 12 7.828 1.214 24.944
80 1HE LYS 12 2HE LYS 12 10.678 0.359 24.464
81 2HE LYS 12 3HE LYS 12 9.634 -0.345 25.698
82 1HZ LYS 12 1HZ LYS 12 8.231 -0.370 23.290
83 2HZ LYS 12 2HZ LYS 12 8.822 -1.693 24.162
84 3HZ LYS 12 3HZ LYS 12 9.777 -0.974 22.965
85 H ARG 13 H ARG 13 10.496 5.299 24.852
86 HA ARG 13 HA ARG 13 10.161 7.910 23.730
87 1HB ARG 13 2HB ARG 13 12.781 6.549 24.344
88 2HB ARG 13 3HB ARG 13 12.449 8.275 24.289
89 1HG ARG 13 2HG ARG 13 11.000 8.035 26.263
90 2HG ARG 13 3HG ARG 13 11.415 6.322 26.333
91 1HD ARG 13 2HD ARG 13 13.707 6.819 26.768
92 2HD ARG 13 3HD ARG 13 13.457 8.532 26.437
93 HE ARG 13 HE ARG 13 11.776 8.047 28.501
94 1HH1 ARG 13 2HH1 ARG 13 15.163 7.439 27.975
95 2HH1 ARG 13 1HH1 ARG 13 15.583 7.585 29.650
96 1HH2 ARG 13 2HH2 ARG 13 12.315 8.243 30.708
97 2HH2 ARG 13 1HH2 ARG 13 13.962 8.041 31.204
98 H ILE 14 H ILE 14 10.979 8.734 21.817
99 HA ILE 14 HA ILE 14 12.240 6.890 19.934
100 HB ILE 14 HB ILE 14 9.738 8.444 19.265
101 1HG1 ILE 14 2HG1 ILE 14 10.195 5.455 19.345
102 2HG1 ILE 14 3HG1 ILE 14 9.381 6.371 20.608
103 1HG2 ILE 14 1HG2 ILE 14 10.445 6.569 17.260
104 2HG2 ILE 14 2HG2 ILE 14 10.357 8.325 17.139
105 3HG2 ILE 14 3HG2 ILE 14 11.867 7.549 17.614
106 1HD1 ILE 14 1HD1 ILE 14 7.543 5.749 19.485
107 2HD1 ILE 14 2HD1 ILE 14 7.945 7.129 18.463
108 3HD1 ILE 14 3HD1 ILE 14 8.418 5.503 17.974
109 H TYR 15 H TYR 15 14.073 7.937 19.500
110 HA TYR 15 HA TYR 15 14.459 10.709 19.671
111 1HB TYR 15 2HB TYR 15 16.008 8.449 18.462
112 2HB TYR 15 3HB TYR 15 16.511 10.106 18.145
113 HD1 TYR 15 1HD TYR 15 18.127 10.970 19.537
114 HD2 TYR 15 2HD TYR 15 15.480 8.015 21.074
115 HE1 TYR 15 1HE TYR 15 19.327 11.019 21.683
116 HE2 TYR 15 2HE TYR 15 16.671 8.057 23.224
117 HH TYR 15 HH TYR 15 19.675 9.402 23.635
118 H THR 16 H THR 16 13.018 11.908 18.501
119 HA THR 16 HA THR 16 13.368 11.833 15.589
120 HB THR 16 HB THR 16 10.865 12.408 15.425
121 HG1 THR 16 1HG THR 16 10.971 11.209 18.011
122 1HG2 THR 16 1HG2 THR 16 10.284 9.889 15.692
123 2HG2 THR 16 2HG2 THR 16 12.008 9.703 16.017
124 3HG2 THR 16 3HG2 THR 16 11.467 10.374 14.479
125 H LEU 17 H LEU 17 14.732 13.607 17.029
126 HA LEU 17 HA LEU 17 13.571 15.980 17.823
127 1HB LEU 17 2HB LEU 17 16.221 15.174 16.809
128 2HB LEU 17 3HB LEU 17 15.854 16.895 16.722
129 HG LEU 17 HG LEU 17 15.402 15.510 19.312
130 1HD1 LEU 17 1HD1 LEU 17 17.515 14.597 18.913
131 2HD1 LEU 17 2HD1 LEU 17 17.843 16.060 19.842
132 3HD1 LEU 17 3HD1 LEU 17 18.090 16.050 18.096
133 1HD2 LEU 17 1HD2 LEU 17 14.994 17.651 19.778
134 2HD2 LEU 17 2HD2 LEU 17 15.737 18.207 18.277
135 3HD2 LEU 17 3HD2 LEU 17 16.739 17.888 19.694
136 H LYS 18 H LYS 18 14.626 15.046 14.564
137 HA LYS 18 HA LYS 18 14.176 15.905 12.505
138 1HB LYS 18 2HB LYS 18 11.654 16.485 14.027
139 2HB LYS 18 3HB LYS 18 11.828 17.022 12.360
140 1HG LYS 18 2HG LYS 18 11.926 14.845 11.540
141 2HG LYS 18 3HG LYS 18 12.313 14.167 13.123
142 1HD LYS 18 2HD LYS 18 10.095 13.595 12.936
143 2HD LYS 18 3HD LYS 18 9.968 15.146 13.772
144 1HE LYS 18 2HE LYS 18 9.972 15.169 10.803
145 2HE LYS 18 3HE LYS 18 8.527 14.570 11.615
146 1HZ LYS 18 1HZ LYS 18 8.987 17.147 11.086
147 2HZ LYS 18 2HZ LYS 18 9.592 17.050 12.663
148 3HZ LYS 18 3HZ LYS 18 7.990 16.609 12.342
149 H LYS 19 H LYS 19 15.720 17.540 14.274
150 HA LYS 19 HA LYS 19 14.937 20.228 14.317
151 1HB LYS 19 2HB LYS 19 17.569 18.812 14.456
152 2HB LYS 19 3HB LYS 19 17.547 20.563 14.292
153 1HG LYS 19 2HG LYS 19 16.488 20.858 16.355
154 2HG LYS 19 3HG LYS 19 15.991 19.167 16.440
155 1HD LYS 19 2HD LYS 19 17.823 19.530 17.965
156 2HD LYS 19 3HD LYS 19 18.377 18.522 16.627
157 1HE LYS 19 2HE LYS 19 20.036 20.215 17.161
158 2HE LYS 19 3HE LYS 19 19.359 20.498 15.558
159 1HZ LYS 19 1HZ LYS 19 19.626 22.453 17.220
160 2HZ LYS 19 2HZ LYS 19 18.182 21.865 17.877
161 3HZ LYS 19 3HZ LYS 19 18.237 22.354 16.258
162 H VAL 20 H VAL 20 16.859 18.433 11.929
163 HA VAL 20 HA VAL 20 17.033 20.732 10.183
164 HB VAL 20 HB VAL 20 17.820 17.884 9.567
165 1HG1 VAL 20 1HG1 VAL 20 18.591 20.536 8.358
166 2HG1 VAL 20 2HG1 VAL 20 19.374 19.002 7.978
167 3HG1 VAL 20 3HG1 VAL 20 17.670 19.241 7.593
168 1HG2 VAL 20 1HG2 VAL 20 19.105 19.937 11.247
169 2HG2 VAL 20 2HG2 VAL 20 19.254 18.180 11.287
170 3HG2 VAL 20 3HG2 VAL 20 20.158 19.116 10.095
171 H THR 21 H THR 21 15.974 21.027 8.257
172 HA THR 21 HA THR 21 13.362 20.119 7.992
173 HB THR 21 HB THR 21 15.187 21.177 5.825
174 HG1 THR 21 1HG THR 21 14.874 22.998 6.840
175 1HG2 THR 21 1HG2 THR 21 12.173 20.972 5.899
176 2HG2 THR 21 2HG2 THR 21 13.250 20.014 4.883
177 3HG2 THR 21 3HG2 THR 21 13.123 21.755 4.637
178 H GLU 22 H GLU 22 15.869 19.363 5.582
179 HA GLU 22 HA GLU 22 14.559 16.777 5.142
180 1HB GLU 22 2HB GLU 22 15.842 16.727 3.026
181 2HB GLU 22 3HB GLU 22 14.798 18.136 3.154
182 1HG GLU 22 2HG GLU 22 16.604 19.578 3.545
183 2HG GLU 22 3HG GLU 22 17.700 18.242 3.894
184 H SER 23 H SER 23 15.740 14.844 5.067
185 HA SER 23 HA SER 23 18.464 14.954 6.171
186 1HB SER 23 2HB SER 23 16.308 13.021 7.059
187 2HB SER 23 3HB SER 23 17.967 13.077 7.654
188 HG SER 23 HG SER 23 17.478 14.730 8.876
189 H GLY 24 H GLY 24 18.945 14.666 3.849
190 1HA GLY 24 2HA GLY 24 19.202 11.824 3.261
191 2HA GLY 24 3HA GLY 24 18.292 12.774 2.095
192 H GLU 25 H GLU 25 20.826 11.317 1.785
193 HA GLU 25 HA GLU 25 22.899 13.295 1.576
194 1HB GLU 25 2HB GLU 25 23.276 10.836 2.010
195 2HB GLU 25 3HB GLU 25 22.851 10.547 0.328
196 1HG GLU 25 2HG GLU 25 24.712 12.143 -0.282
197 2HG GLU 25 3HG GLU 25 25.209 12.058 1.407
198 H ILE 26 H ILE 26 23.047 14.745 0.010
199 HA ILE 26 HA ILE 26 21.425 14.661 -2.325
200 HB ILE 26 HB ILE 26 23.812 16.435 -1.814
201 1HG1 ILE 26 2HG1 ILE 26 20.899 16.940 -1.170
202 2HG1 ILE 26 3HG1 ILE 26 22.133 16.530 0.016
203 1HG2 ILE 26 1HG2 ILE 26 23.125 16.472 -4.120
204 2HG2 ILE 26 2HG2 ILE 26 21.441 16.703 -3.654
205 3HG2 ILE 26 3HG2 ILE 26 22.623 17.976 -3.348
206 1HD1 ILE 26 1HD1 ILE 26 23.093 18.734 -1.456
207 2HD1 ILE 26 2HD1 ILE 26 21.421 19.077 -1.013
208 3HD1 ILE 26 3HD1 ILE 26 22.599 18.675 0.236
209 H THR 27 H THR 27 21.782 13.593 -4.144
210 HA THR 27 HA THR 27 24.185 12.155 -4.626
211 HB THR 27 HB THR 27 23.184 11.573 -6.803
212 HG1 THR 27 1HG THR 27 21.722 12.851 -7.627
213 1HG2 THR 27 1HG2 THR 27 21.733 11.278 -4.238
214 2HG2 THR 27 2HG2 THR 27 22.382 10.047 -5.322
215 3HG2 THR 27 3HG2 THR 27 20.853 10.840 -5.702
216 H LYS 28 H LYS 28 25.694 12.417 -6.322
217 HA LYS 28 HA LYS 28 26.481 15.116 -6.773
218 1HB LYS 28 2HB LYS 28 27.511 12.427 -7.532
219 2HB LYS 28 3HB LYS 28 28.069 13.806 -8.470
220 1HG LYS 28 2HG LYS 28 29.682 13.691 -6.855
221 2HG LYS 28 3HG LYS 28 28.557 14.834 -6.118
222 1HD LYS 28 2HD LYS 28 28.967 13.375 -4.373
223 2HD LYS 28 3HD LYS 28 27.495 12.698 -5.074
224 1HE LYS 28 2HE LYS 28 28.599 10.896 -5.985
225 2HE LYS 28 3HE LYS 28 30.142 11.747 -6.065
226 1HZ LYS 28 1HZ LYS 28 30.188 11.629 -3.591
227 2HZ LYS 28 2HZ LYS 28 30.299 10.127 -4.361
228 3HZ LYS 28 3HZ LYS 28 28.838 10.611 -3.655
229 H SER 29 H SER 29 26.303 16.386 -8.558
230 HA SER 29 HA SER 29 24.359 15.547 -10.555
231 1HB SER 29 2HB SER 29 24.375 17.914 -11.247
232 2HB SER 29 3HB SER 29 24.081 17.751 -9.516
233 HG SER 29 HG SER 29 25.836 19.276 -10.536
234 H ALA 30 H ALA 30 24.849 16.503 -12.847
235 HA ALA 30 HA ALA 30 26.014 16.218 -14.782
236 1HB ALA 30 1HB ALA 30 28.015 17.325 -14.912
237 2HB ALA 30 2HB ALA 30 27.383 17.986 -13.403
238 3HB ALA 30 3HB ALA 30 28.588 16.699 -13.366
239 H HIS 31 H HIS 31 25.417 13.840 -13.624
240 HA HIS 31 HA HIS 31 27.656 12.152 -13.187
241 1HB HIS 31 2HB HIS 31 24.756 11.874 -13.320
242 2HB HIS 31 3HB HIS 31 25.597 10.487 -14.007
243 HD1 HIS 31 1HD HIS 31 25.519 8.746 -12.246
244 HD2 HIS 31 2HD HIS 31 26.511 12.474 -10.702
245 HE1 HIS 31 1HE HIS 31 26.036 8.353 -9.817
246 HA PRO 32 HA PRO 32 28.960 11.034 -17.222
247 1HB PRO 32 2HB PRO 32 29.443 8.373 -16.969
248 2HB PRO 32 3HB PRO 32 30.473 9.611 -16.238
249 1HG PRO 32 2HG PRO 32 28.308 7.965 -14.985
250 2HG PRO 32 3HG PRO 32 29.909 8.383 -14.346
251 1HD PRO 32 2HD PRO 32 27.654 9.672 -13.583
252 2HD PRO 32 3HD PRO 32 29.232 10.480 -13.673
253 H ALA 33 H ALA 33 27.266 11.292 -18.629
254 HA ALA 33 HA ALA 33 25.162 9.293 -18.772
255 1HB ALA 33 1HB ALA 33 23.986 10.774 -20.100
256 2HB ALA 33 2HB ALA 33 24.912 11.860 -19.064
257 3HB ALA 33 3HB ALA 33 25.448 11.547 -20.714
258 H ARG 34 H ARG 34 24.648 8.138 -20.705
259 HA ARG 34 HA ARG 34 26.742 6.768 -21.869
260 1HB ARG 34 2HB ARG 34 24.363 6.049 -21.889
261 2HB ARG 34 3HB ARG 34 24.034 7.266 -23.115
262 1HG ARG 34 2HG ARG 34 25.218 6.127 -24.749
263 2HG ARG 34 3HG ARG 34 26.131 5.185 -23.569
264 1HD ARG 34 2HD ARG 34 23.880 4.159 -22.920
265 2HD ARG 34 3HD ARG 34 23.269 4.862 -24.418
266 HE ARG 34 HE ARG 34 25.641 3.268 -24.753
267 1HH1 ARG 34 2HH1 ARG 34 22.163 3.251 -24.613
268 2HH1 ARG 34 1HH1 ARG 34 22.002 1.792 -25.533
269 1HH2 ARG 34 2HH2 ARG 34 25.443 1.346 -25.966
270 2HH2 ARG 34 1HH2 ARG 34 23.869 0.708 -26.301
271 H PHE 35 H PHE 35 27.988 6.995 -23.663
272 HA PHE 35 HA PHE 35 28.023 9.632 -24.892
273 1HB PHE 35 2HB PHE 35 29.941 7.357 -24.684
274 2HB PHE 35 3HB PHE 35 30.108 8.455 -26.050
275 HD1 PHE 35 1HD PHE 35 31.900 9.842 -25.682
276 HD2 PHE 35 2HD PHE 35 29.236 9.012 -22.467
277 HE1 PHE 35 1HE PHE 35 33.130 11.426 -24.256
278 HE2 PHE 35 2HE PHE 35 30.461 10.594 -21.038
279 HZ PHE 35 HZ PHE 35 32.412 11.805 -21.932
280 H SER 36 H SER 36 26.912 10.001 -26.682
281 HA SER 36 HA SER 36 27.110 8.336 -28.977
282 1HB SER 36 2HB SER 36 25.494 6.956 -27.788
283 2HB SER 36 3HB SER 36 24.458 8.357 -27.516
284 HG SER 36 HG SER 36 24.130 8.485 -29.749
285 HA PRO 37 HA PRO 37 26.019 12.835 -29.551
286 1HB PRO 37 2HB PRO 37 28.168 13.417 -31.106
287 2HB PRO 37 3HB PRO 37 28.206 13.506 -29.340
288 1HG PRO 37 2HG PRO 37 29.186 11.330 -31.147
289 2HG PRO 37 3HG PRO 37 29.958 12.022 -29.709
290 1HD PRO 37 2HD PRO 37 28.618 9.669 -29.655
291 2HD PRO 37 3HD PRO 37 28.672 10.769 -28.263
292 H ASP 38 H ASP 38 27.214 10.371 -31.787
293 HA ASP 38 HA ASP 38 25.216 11.276 -33.743
294 1HB ASP 38 2HB ASP 38 27.791 11.839 -34.171
295 2HB ASP 38 3HB ASP 38 27.784 10.189 -34.785
296 H ASP 39 H ASP 39 25.238 9.486 -35.622
297 HA ASP 39 HA ASP 39 24.483 7.037 -34.273
298 1HB ASP 39 2HB ASP 39 24.308 7.825 -37.189
299 2HB ASP 39 3HB ASP 39 23.630 6.355 -36.492
300 H LYS 40 H LYS 40 27.134 8.249 -36.100
301 HA LYS 40 HA LYS 40 28.152 5.806 -37.101
302 1HB LYS 40 2HB LYS 40 30.133 7.008 -37.616
303 2HB LYS 40 3HB LYS 40 28.805 8.140 -37.835
304 1HG LYS 40 2HG LYS 40 30.168 9.493 -36.658
305 2HG LYS 40 3HG LYS 40 29.410 8.679 -35.287
306 1HD LYS 40 2HD LYS 40 31.395 6.958 -35.732
307 2HD LYS 40 3HD LYS 40 32.154 8.412 -36.385
308 1HE LYS 40 2HE LYS 40 31.575 9.564 -34.235
309 2HE LYS 40 3HE LYS 40 31.066 7.997 -33.605
310 1HZ LYS 40 1HZ LYS 40 33.687 9.068 -33.848
311 2HZ LYS 40 2HZ LYS 40 33.574 7.586 -34.654
312 3HZ LYS 40 3HZ LYS 40 33.167 7.690 -33.016
313 H TYR 41 H TYR 41 27.954 7.037 -33.959
314 HA TYR 41 HA TYR 41 30.270 6.222 -32.706
315 1HB TYR 41 2HB TYR 41 29.088 6.312 -30.686
316 2HB TYR 41 3HB TYR 41 28.189 7.401 -31.734
317 HD1 TYR 41 1HD TYR 41 26.229 6.195 -33.093
318 HD2 TYR 41 2HD TYR 41 27.883 4.802 -29.429
319 HE1 TYR 41 1HE TYR 41 24.171 4.922 -32.654
320 HE2 TYR 41 2HE TYR 41 25.830 3.524 -28.980
321 HH TYR 41 HH TYR 41 23.388 3.665 -29.674
322 H SER 42 H SER 42 27.629 4.290 -33.911
323 HA SER 42 HA SER 42 28.275 1.894 -32.529
324 1HB SER 42 2HB SER 42 26.877 0.828 -34.381
325 2HB SER 42 3HB SER 42 26.073 2.053 -33.400
326 HG SER 42 HG SER 42 26.016 3.378 -35.067
327 H ARG 43 H ARG 43 29.773 0.394 -32.931
328 HA ARG 43 HA ARG 43 31.797 0.848 -34.865
329 1HB ARG 43 2HB ARG 43 32.732 -1.280 -34.101
330 2HB ARG 43 3HB ARG 43 32.254 -0.276 -32.738
331 1HG ARG 43 2HG ARG 43 30.131 -1.593 -32.625
332 2HG ARG 43 3HG ARG 43 30.816 -2.678 -33.836
333 1HD ARG 43 2HD ARG 43 32.311 -2.048 -31.318
334 2HD ARG 43 3HD ARG 43 31.048 -3.277 -31.329
335 HE ARG 43 HE ARG 43 32.863 -3.730 -33.444
336 1HH1 ARG 43 2HH1 ARG 43 32.597 -3.965 -29.982
337 2HH1 ARG 43 1HH1 ARG 43 33.744 -5.257 -29.850
338 1HH2 ARG 43 2HH2 ARG 43 34.375 -5.431 -33.285
339 2HH2 ARG 43 1HH2 ARG 43 34.756 -6.089 -31.730
340 H GLN 44 H GLN 44 28.843 -0.965 -34.870
341 HA GLN 44 HA GLN 44 29.431 -2.765 -36.961
342 1HB GLN 44 2HB GLN 44 27.419 -2.670 -35.285
343 2HB GLN 44 3HB GLN 44 26.670 -1.683 -36.534
344 1HG GLN 44 2HG GLN 44 27.848 -4.351 -37.194
345 2HG GLN 44 3HG GLN 44 26.229 -4.216 -36.509
346 1HE2 GLN 44 1HE2 GLN 44 25.124 -2.130 -37.689
347 2HE2 GLN 44 2HE2 GLN 44 25.057 -2.324 -39.404
348 H ARG 45 H ARG 45 28.032 0.486 -36.940
349 HA ARG 45 HA ARG 45 27.374 0.642 -39.657
350 1HB ARG 45 2HB ARG 45 26.542 2.277 -38.084
351 2HB ARG 45 3HB ARG 45 28.176 2.809 -37.711
352 1HG ARG 45 2HG ARG 45 27.196 4.429 -39.141
353 2HG ARG 45 3HG ARG 45 28.396 3.546 -40.085
354 1HD ARG 45 2HD ARG 45 25.516 2.720 -40.089
355 2HD ARG 45 3HD ARG 45 26.085 4.021 -41.134
356 HE ARG 45 HE ARG 45 27.740 1.759 -41.439
357 1HH1 ARG 45 2HH1 ARG 45 24.539 2.898 -42.199
358 2HH1 ARG 45 1HH1 ARG 45 24.382 1.910 -43.614
359 1HH2 ARG 45 2HH2 ARG 45 27.545 0.454 -43.298
360 2HH2 ARG 45 1HH2 ARG 45 26.092 0.519 -44.238
361 H VAL 46 H VAL 46 30.410 1.092 -37.976
362 HA VAL 46 HA VAL 46 31.782 2.255 -40.209
363 HB VAL 46 HB VAL 46 32.893 0.979 -37.705
364 1HG1 VAL 46 1HG1 VAL 46 34.204 2.629 -39.858
365 2HG1 VAL 46 2HG1 VAL 46 34.930 2.314 -38.281
366 3HG1 VAL 46 3HG1 VAL 46 34.593 0.977 -39.380
367 1HG2 VAL 46 1HG2 VAL 46 33.277 3.409 -37.089
368 2HG2 VAL 46 2HG2 VAL 46 32.180 3.817 -38.408
369 3HG2 VAL 46 3HG2 VAL 46 31.606 2.847 -37.051
370 H THR 47 H THR 47 31.536 -0.977 -38.801
371 HA THR 47 HA THR 47 33.477 -2.271 -40.326
372 HB THR 47 HB THR 47 30.929 -3.690 -39.650
373 HG1 THR 47 1HG THR 47 32.913 -2.959 -37.738
374 1HG2 THR 47 1HG2 THR 47 32.853 -4.869 -40.696
375 2HG2 THR 47 2HG2 THR 47 32.423 -5.506 -39.108
376 3HG2 THR 47 3HG2 THR 47 33.827 -4.455 -39.286
377 H LEU 48 H LEU 48 33.574 -3.010 -42.366
378 HA LEU 48 HA LEU 48 31.915 -2.044 -44.367
379 1HB LEU 48 2HB LEU 48 33.942 -4.208 -44.196
380 2HB LEU 48 3HB LEU 48 32.907 -4.156 -45.622
381 HG LEU 48 HG LEU 48 35.056 -3.052 -46.008
382 1HD1 LEU 48 1HD1 LEU 48 34.112 -1.516 -47.335
383 2HD1 LEU 48 2HD1 LEU 48 33.301 -0.708 -45.994
384 3HD1 LEU 48 3HD1 LEU 48 32.587 -2.150 -46.716
385 1HD2 LEU 48 1HD2 LEU 48 35.573 -2.301 -43.778
386 2HD2 LEU 48 2HD2 LEU 48 34.174 -1.226 -43.774
387 3HD2 LEU 48 3HD2 LEU 48 35.528 -0.909 -44.860
388 H LYS 49 H LYS 49 30.827 -3.630 -46.010
389 HA LYS 49 HA LYS 49 28.469 -4.566 -44.879
390 1HB LYS 49 2HB LYS 49 28.109 -5.728 -47.053
391 2HB LYS 49 3HB LYS 49 28.574 -4.041 -47.225
392 1HG LYS 49 2HG LYS 49 30.938 -4.855 -47.571
393 2HG LYS 49 3HG LYS 49 30.262 -6.481 -47.692
394 1HD LYS 49 2HD LYS 49 30.272 -5.886 -49.903
395 2HD LYS 49 3HD LYS 49 28.667 -5.314 -49.441
396 1HE LYS 49 2HE LYS 49 31.026 -3.492 -49.219
397 2HE LYS 49 3HE LYS 49 30.268 -3.761 -50.787
398 1HZ LYS 49 1HZ LYS 49 29.140 -1.939 -49.983
399 2HZ LYS 49 2HZ LYS 49 29.143 -2.489 -48.383
400 3HZ LYS 49 3HZ LYS 49 28.111 -3.200 -49.520
401 H LYS 50 H LYS 50 28.060 -6.266 -43.644
402 HA LYS 50 HA LYS 50 29.932 -8.528 -43.679
403 1HB LYS 50 2HB LYS 50 29.305 -7.211 -41.534
404 2HB LYS 50 3HB LYS 50 27.791 -8.102 -41.613
405 1HG LYS 50 2HG LYS 50 28.884 -10.175 -41.329
406 2HG LYS 50 3HG LYS 50 30.472 -9.458 -41.614
407 1HD LYS 50 2HD LYS 50 28.728 -8.614 -39.315
408 2HD LYS 50 3HD LYS 50 29.835 -9.983 -39.195
409 1HE LYS 50 2HE LYS 50 30.897 -7.409 -40.236
410 2HE LYS 50 3HE LYS 50 30.559 -7.527 -38.510
411 1HZ LYS 50 1HZ LYS 50 32.519 -8.510 -38.308
412 2HZ LYS 50 2HZ LYS 50 32.731 -8.605 -39.984
413 3HZ LYS 50 3HZ LYS 50 31.909 -9.836 -39.163
414 H ARG 51 H ARG 51 27.767 -8.058 -45.649
415 HA ARG 51 HA ARG 51 25.929 -10.258 -45.062
416 1HB ARG 51 2HB ARG 51 24.741 -9.480 -47.111
417 2HB ARG 51 3HB ARG 51 24.859 -8.256 -45.856
418 1HG ARG 51 2HG ARG 51 26.558 -7.090 -47.032
419 2HG ARG 51 3HG ARG 51 26.754 -8.413 -48.183
420 1HD ARG 51 2HD ARG 51 24.155 -6.941 -47.867
421 2HD ARG 51 3HD ARG 51 25.426 -6.371 -48.948
422 HE ARG 51 HE ARG 51 24.813 -9.100 -49.436
423 1HH1 ARG 51 2HH1 ARG 51 23.648 -5.863 -49.966
424 2HH1 ARG 51 1HH1 ARG 51 22.779 -6.272 -51.408
425 1HH2 ARG 51 2HH2 ARG 51 23.673 -9.652 -51.333
426 2HH2 ARG 51 1HH2 ARG 51 22.794 -8.428 -52.184
427 H PHE 52 H PHE 52 28.620 -9.406 -47.086
428 HA PHE 52 HA PHE 52 29.792 -10.536 -48.681
429 1HB PHE 52 2HB PHE 52 28.760 -13.000 -47.268
430 2HB PHE 52 3HB PHE 52 30.229 -12.863 -48.228
431 HD1 PHE 52 1HD PHE 52 31.417 -10.397 -47.237
432 HD2 PHE 52 2HD PHE 52 29.437 -13.516 -45.122
433 HE1 PHE 52 1HE PHE 52 32.689 -9.825 -45.210
434 HE2 PHE 52 2HE PHE 52 30.705 -12.949 -43.092
435 HZ PHE 52 HZ PHE 52 32.333 -11.101 -43.134
436 H GLY 53 H GLY 53 27.366 -9.715 -49.630
437 1HA GLY 53 2HA GLY 53 26.017 -11.945 -50.904
438 2HA GLY 53 3HA GLY 53 25.605 -10.244 -51.062
439 H LEU 54 H LEU 54 28.386 -12.340 -51.844
440 HA LEU 54 HA LEU 54 28.954 -10.791 -54.211
441 1HB LEU 54 2HB LEU 54 30.218 -13.065 -52.780
442 2HB LEU 54 3HB LEU 54 30.597 -12.855 -54.488
443 HG LEU 54 HG LEU 54 30.996 -10.718 -52.399
444 1HD1 LEU 54 1HD1 LEU 54 32.830 -11.770 -51.742
445 2HD1 LEU 54 2HD1 LEU 54 33.450 -11.695 -53.391
446 3HD1 LEU 54 3HD1 LEU 54 32.506 -13.089 -52.868
447 1HD2 LEU 54 1HD2 LEU 54 32.532 -9.838 -54.209
448 2HD2 LEU 54 2HD2 LEU 54 30.801 -9.720 -54.527
449 3HD2 LEU 54 3HD2 LEU 54 31.755 -10.991 -55.295
450 H VAL 55 H VAL 55 29.322 -11.953 -56.319
451 HA VAL 55 HA VAL 55 27.390 -14.123 -56.750
452 HB VAL 55 HB VAL 55 27.624 -11.704 -58.545
453 1HG1 VAL 55 1HG1 VAL 55 26.735 -14.303 -59.084
454 2HG1 VAL 55 2HG1 VAL 55 25.277 -13.322 -58.913
455 3HG1 VAL 55 3HG1 VAL 55 26.517 -12.865 -60.081
456 1HG2 VAL 55 1HG2 VAL 55 25.158 -11.468 -57.758
457 2HG2 VAL 55 2HG2 VAL 55 25.694 -12.423 -56.376
458 3HG2 VAL 55 3HG2 VAL 55 26.459 -10.873 -56.726
459 HA PRO 56 HA PRO 56 31.531 -14.961 -58.704
460 1HB PRO 56 2HB PRO 56 31.751 -17.483 -57.725
461 2HB PRO 56 3HB PRO 56 32.292 -16.055 -56.834
462 1HG PRO 56 2HG PRO 56 29.752 -17.615 -56.552
463 2HG PRO 56 3HG PRO 56 30.810 -16.961 -55.287
464 1HD PRO 56 2HD PRO 56 28.514 -15.739 -56.042
465 2HD PRO 56 3HD PRO 56 29.936 -14.836 -55.478
466 H GLY 57 H GLY 57 31.777 -15.958 -60.642
467 1HA GLY 57 2HA GLY 57 30.531 -18.296 -61.504
468 2HA GLY 57 3HA GLY 57 29.503 -16.960 -61.997
469 H GLN 58 H GLN 58 29.789 -16.874 -64.147
470 HA GLN 58 HA GLN 58 32.350 -17.285 -65.374
471 1HB GLN 58 2HB GLN 58 29.593 -17.020 -66.236
472 2HB GLN 58 3HB GLN 58 30.679 -16.095 -67.266
473 1HG GLN 58 2HG GLN 58 30.888 -19.030 -66.634
474 2HG GLN 58 3HG GLN 58 30.343 -18.320 -68.152
475 1HE2 GLN 58 1HE2 GLN 58 32.825 -19.863 -66.847
476 2HE2 GLN 58 2HE2 GLN 58 34.143 -19.178 -67.731
Start of MODEL 2
1 1H HIS 2 H HIS 2 12.135 20.432 27.692
2 HA HIS 2 HA HIS 2 14.270 21.005 25.742
3 1HB HIS 2 2HB HIS 2 14.578 19.705 28.456
4 2HB HIS 2 3HB HIS 2 15.875 20.032 27.310
5 HD1 HIS 2 1HD HIS 2 17.115 22.121 27.742
6 HD2 HIS 2 2HD HIS 2 13.259 22.272 29.281
7 HE1 HIS 2 1HE HIS 2 16.953 24.331 28.933
8 H LEU 3 H LEU 3 11.834 19.319 25.525
9 HA LEU 3 HA LEU 3 12.690 16.588 25.625
10 1HB LEU 3 2HB LEU 3 10.341 17.805 24.181
11 2HB LEU 3 3HB LEU 3 10.580 16.093 24.523
12 HG LEU 3 HG LEU 3 10.638 17.028 27.026
13 1HD1 LEU 3 1HD1 LEU 3 8.417 18.693 26.452
14 2HD1 LEU 3 2HD1 LEU 3 9.790 19.269 25.507
15 3HD1 LEU 3 3HD1 LEU 3 9.929 19.112 27.259
16 1HD2 LEU 3 1HD2 LEU 3 7.895 16.806 26.003
17 2HD2 LEU 3 2HD2 LEU 3 8.726 15.872 27.248
18 3HD2 LEU 3 3HD2 LEU 3 8.971 15.485 25.544
19 H MET 4 H MET 4 13.904 15.559 24.191
20 HA MET 4 HA MET 4 14.032 16.618 21.443
21 1HB MET 4 2HB MET 4 16.111 16.618 23.160
22 2HB MET 4 3HB MET 4 16.308 15.017 22.458
23 1HG MET 4 2HG MET 4 17.598 16.271 21.054
24 2HG MET 4 3HG MET 4 16.057 16.290 20.198
25 1HE MET 4 1HE MET 4 18.922 18.071 20.940
26 2HE MET 4 2HE MET 4 18.533 19.766 21.230
27 3HE MET 4 3HE MET 4 18.469 18.607 22.558
28 H TYR 5 H TYR 5 12.247 14.569 22.566
29 HA TYR 5 HA TYR 5 12.568 12.609 20.512
30 1HB TYR 5 2HB TYR 5 12.866 10.650 21.891
31 2HB TYR 5 3HB TYR 5 14.175 11.777 22.228
32 HD1 TYR 5 1HD TYR 5 11.679 9.725 23.656
33 HD2 TYR 5 2HD TYR 5 13.803 13.361 24.277
34 HE1 TYR 5 1HE TYR 5 11.136 9.626 26.052
35 HE2 TYR 5 2HE TYR 5 13.266 13.270 26.676
36 HH TYR 5 HH TYR 5 12.673 11.268 28.355
37 H THR 6 H THR 6 10.623 11.863 19.934
38 HA THR 6 HA THR 6 8.308 12.700 21.453
39 HB THR 6 HB THR 6 7.021 11.676 19.554
40 HG1 THR 6 1HG THR 6 8.077 10.407 18.245
41 1HG2 THR 6 1HG2 THR 6 8.525 14.041 19.637
42 2HG2 THR 6 2HG2 THR 6 7.137 13.691 18.606
43 3HG2 THR 6 3HG2 THR 6 8.770 13.376 18.022
44 H LEU 7 H LEU 7 6.816 11.393 22.448
45 HA LEU 7 HA LEU 7 7.739 8.701 23.097
46 1HB LEU 7 2HB LEU 7 5.531 10.387 24.267
47 2HB LEU 7 3HB LEU 7 5.977 8.778 24.832
48 HG LEU 7 HG LEU 7 7.610 11.304 25.014
49 1HD1 LEU 7 1HD1 LEU 7 5.687 10.656 26.657
50 2HD1 LEU 7 2HD1 LEU 7 7.229 11.246 27.278
51 3HD1 LEU 7 3HD1 LEU 7 6.878 9.518 27.287
52 1HD2 LEU 7 1HD2 LEU 7 9.353 9.897 24.729
53 2HD2 LEU 7 2HD2 LEU 7 8.404 8.464 25.124
54 3HD2 LEU 7 3HD2 LEU 7 9.024 9.496 26.414
55 H GLY 8 H GLY 8 6.006 6.993 23.336
56 1HA GLY 8 2HA GLY 8 4.334 7.050 20.915
57 2HA GLY 8 3HA GLY 8 4.896 5.599 21.732
58 HA PRO 9 HA PRO 9 0.470 6.381 22.924
59 1HB PRO 9 2HB PRO 9 -0.370 3.849 22.417
60 2HB PRO 9 3HB PRO 9 -0.325 5.112 21.180
61 1HG PRO 9 2HG PRO 9 1.635 2.914 21.714
62 2HG PRO 9 3HG PRO 9 1.008 3.501 20.163
63 1HD PRO 9 2HD PRO 9 3.441 4.213 21.115
64 2HD PRO 9 3HD PRO 9 2.452 5.299 20.118
65 H ASP 10 H ASP 10 2.942 4.108 23.769
66 HA ASP 10 HA ASP 10 1.542 3.451 26.271
67 1HB ASP 10 2HB ASP 10 2.454 1.633 24.645
68 2HB ASP 10 3HB ASP 10 4.024 2.053 25.324
69 H GLY 11 H GLY 11 4.276 5.071 24.921
70 1HA GLY 11 2HA GLY 11 5.184 6.843 26.407
71 2HA GLY 11 3HA GLY 11 5.269 5.606 27.654
72 H LYS 12 H LYS 12 6.056 4.577 24.489
73 HA LYS 12 HA LYS 12 8.780 4.065 25.280
74 1HB LYS 12 2HB LYS 12 7.266 3.521 22.724
75 2HB LYS 12 3HB LYS 12 8.945 3.063 22.975
76 1HG LYS 12 2HG LYS 12 8.155 1.758 24.988
77 2HG LYS 12 3HG LYS 12 6.512 2.038 24.408
78 1HD LYS 12 2HD LYS 12 6.946 0.021 23.415
79 2HD LYS 12 3HD LYS 12 7.522 1.111 22.151
80 1HE LYS 12 2HE LYS 12 9.382 0.135 24.285
81 2HE LYS 12 3HE LYS 12 9.008 -0.882 22.894
82 1HZ LYS 12 1HZ LYS 12 10.801 0.226 22.092
83 2HZ LYS 12 2HZ LYS 12 10.526 1.613 23.020
84 3HZ LYS 12 3HZ LYS 12 9.607 1.332 21.628
85 H ARG 13 H ARG 13 10.358 5.499 25.086
86 HA ARG 13 HA ARG 13 10.143 7.961 23.787
87 1HB ARG 13 2HB ARG 13 12.665 8.016 24.017
88 2HB ARG 13 3HB ARG 13 11.764 7.751 25.504
89 1HG ARG 13 2HG ARG 13 12.314 5.213 24.395
90 2HG ARG 13 3HG ARG 13 13.807 6.153 24.342
91 1HD ARG 13 2HD ARG 13 14.069 5.548 26.477
92 2HD ARG 13 3HD ARG 13 12.816 6.737 26.832
93 HE ARG 13 HE ARG 13 11.448 4.451 26.230
94 1HH1 ARG 13 2HH1 ARG 13 13.925 5.317 28.518
95 2HH1 ARG 13 1HH1 ARG 13 13.411 4.167 29.707
96 1HH2 ARG 13 2HH2 ARG 13 10.762 2.933 27.788
97 2HH2 ARG 13 1HH2 ARG 13 11.612 2.811 29.291
98 H ILE 14 H ILE 14 11.040 8.763 21.867
99 HA ILE 14 HA ILE 14 12.157 6.873 19.955
100 HB ILE 14 HB ILE 14 9.655 8.456 19.360
101 1HG1 ILE 14 2HG1 ILE 14 10.129 5.468 19.454
102 2HG1 ILE 14 3HG1 ILE 14 9.271 6.400 20.675
103 1HG2 ILE 14 1HG2 ILE 14 10.264 6.619 17.305
104 2HG2 ILE 14 2HG2 ILE 14 10.238 8.379 17.222
105 3HG2 ILE 14 3HG2 ILE 14 11.731 7.538 17.637
106 1HD1 ILE 14 1HD1 ILE 14 7.494 5.657 19.500
107 2HD1 ILE 14 2HD1 ILE 14 7.839 7.101 18.547
108 3HD1 ILE 14 3HD1 ILE 14 8.403 5.524 17.995
109 H TYR 15 H TYR 15 13.980 7.864 19.395
110 HA TYR 15 HA TYR 15 14.343 10.681 19.490
111 1HB TYR 15 2HB TYR 15 16.066 8.612 18.112
112 2HB TYR 15 3HB TYR 15 16.552 10.242 18.567
113 HD1 TYR 15 1HD TYR 15 17.428 7.205 19.371
114 HD2 TYR 15 2HD TYR 15 15.460 10.450 21.294
115 HE1 TYR 15 1HE TYR 15 18.186 6.363 21.553
116 HE2 TYR 15 2HE TYR 15 16.213 9.617 23.482
117 HH TYR 15 HH TYR 15 16.951 7.545 24.508
118 H THR 16 H THR 16 12.661 11.490 18.155
119 HA THR 16 HA THR 16 13.417 11.597 15.340
120 HB THR 16 HB THR 16 10.528 11.107 16.025
121 HG1 THR 16 1HG THR 16 12.413 9.123 15.224
122 1HG2 THR 16 1HG2 THR 16 11.058 10.081 13.537
123 2HG2 THR 16 2HG2 THR 16 12.130 11.479 13.605
124 3HG2 THR 16 3HG2 THR 16 10.397 11.684 13.858
125 H LEU 17 H LEU 17 13.533 13.474 17.549
126 HA LEU 17 HA LEU 17 11.493 15.325 17.669
127 1HB LEU 17 2HB LEU 17 13.791 15.196 18.885
128 2HB LEU 17 3HB LEU 17 14.340 16.231 17.570
129 HG LEU 17 HG LEU 17 13.773 17.505 19.587
130 1HD1 LEU 17 1HD1 LEU 17 11.626 18.249 17.687
131 2HD1 LEU 17 2HD1 LEU 17 13.278 18.198 17.073
132 3HD1 LEU 17 3HD1 LEU 17 12.876 19.243 18.436
133 1HD2 LEU 17 1HD2 LEU 17 11.700 17.505 20.594
134 2HD2 LEU 17 2HD2 LEU 17 11.874 15.808 20.144
135 3HD2 LEU 17 3HD2 LEU 17 10.884 16.886 19.158
136 H LYS 18 H LYS 18 14.232 15.274 15.398
137 HA LYS 18 HA LYS 18 13.681 17.565 13.963
138 1HB LYS 18 2HB LYS 18 14.717 14.954 12.843
139 2HB LYS 18 3HB LYS 18 14.902 16.541 12.106
140 1HG LYS 18 2HG LYS 18 16.320 17.271 13.897
141 2HG LYS 18 3HG LYS 18 16.024 15.780 14.794
142 1HD LYS 18 2HD LYS 18 17.154 15.631 12.033
143 2HD LYS 18 3HD LYS 18 18.209 16.068 13.378
144 1HE LYS 18 2HE LYS 18 16.437 13.678 13.617
145 2HE LYS 18 3HE LYS 18 17.919 13.564 12.670
146 1HZ LYS 18 1HZ LYS 18 17.570 13.795 15.540
147 2HZ LYS 18 2HZ LYS 18 18.826 14.722 14.890
148 3HZ LYS 18 3HZ LYS 18 18.803 13.048 14.654
149 H LYS 19 H LYS 19 12.415 18.089 12.211
150 HA LYS 19 HA LYS 19 10.625 18.042 10.809
151 1HB LYS 19 2HB LYS 19 11.954 15.876 10.120
152 2HB LYS 19 3HB LYS 19 10.581 15.051 10.844
153 1HG LYS 19 2HG LYS 19 9.139 16.523 9.322
154 2HG LYS 19 3HG LYS 19 10.640 16.853 8.453
155 1HD LYS 19 2HD LYS 19 9.697 14.056 9.033
156 2HD LYS 19 3HD LYS 19 9.200 14.939 7.587
157 1HE LYS 19 2HE LYS 19 11.737 15.318 7.244
158 2HE LYS 19 3HE LYS 19 11.927 13.983 8.380
159 1HZ LYS 19 1HZ LYS 19 11.363 12.514 6.828
160 2HZ LYS 19 2HZ LYS 19 11.563 13.752 5.695
161 3HZ LYS 19 3HZ LYS 19 10.026 13.415 6.315
162 H VAL 20 H VAL 20 10.006 18.394 13.426
163 HA VAL 20 HA VAL 20 7.374 17.130 13.581
164 HB VAL 20 HB VAL 20 9.267 17.221 15.935
165 1HG1 VAL 20 1HG1 VAL 20 6.372 16.613 15.639
166 2HG1 VAL 20 2HG1 VAL 20 7.311 15.668 16.797
167 3HG1 VAL 20 3HG1 VAL 20 7.230 17.423 16.949
168 1HG2 VAL 20 1HG2 VAL 20 9.817 15.488 14.241
169 2HG2 VAL 20 2HG2 VAL 20 9.344 14.821 15.803
170 3HG2 VAL 20 3HG2 VAL 20 8.202 14.817 14.460
171 H THR 21 H THR 21 5.803 18.382 14.548
172 HA THR 21 HA THR 21 6.640 21.068 15.431
173 HB THR 21 HB THR 21 5.620 21.199 13.201
174 HG1 THR 21 1HG THR 21 3.776 22.606 13.939
175 1HG2 THR 21 1HG2 THR 21 4.136 19.135 13.673
176 2HG2 THR 21 2HG2 THR 21 3.476 20.439 12.688
177 3HG2 THR 21 3HG2 THR 21 3.016 20.296 14.384
178 H GLU 22 H GLU 22 5.088 22.156 16.854
179 HA GLU 22 HA GLU 22 3.853 20.227 18.679
180 1HB GLU 22 2HB GLU 22 5.560 22.137 19.318
181 2HB GLU 22 3HB GLU 22 4.110 23.131 19.326
182 1HG GLU 22 2HG GLU 22 3.150 21.280 20.860
183 2HG GLU 22 3HG GLU 22 4.841 20.845 21.099
184 H SER 23 H SER 23 2.637 21.121 16.136
185 HA SER 23 HA SER 23 0.634 21.819 15.300
186 1HB SER 23 2HB SER 23 0.064 20.030 17.160
187 2HB SER 23 3HB SER 23 -0.644 21.424 17.976
188 HG SER 23 HG SER 23 -2.295 21.033 16.740
189 H GLY 24 H GLY 24 2.343 23.845 16.466
190 1HA GLY 24 2HA GLY 24 0.318 25.766 17.431
191 2HA GLY 24 3HA GLY 24 2.031 25.855 17.815
192 H GLU 25 H GLU 25 1.208 24.988 14.594
193 HA GLU 25 HA GLU 25 2.491 27.329 13.560
194 1HB GLU 25 2HB GLU 25 2.806 25.280 12.370
195 2HB GLU 25 3HB GLU 25 1.073 25.017 12.239
196 1HG GLU 25 2HG GLU 25 0.895 26.970 10.772
197 2HG GLU 25 3HG GLU 25 2.639 27.201 10.884
198 H ILE 26 H ILE 26 -0.836 26.137 13.685
199 HA ILE 26 HA ILE 26 -1.837 28.498 12.323
200 HB ILE 26 HB ILE 26 -3.342 26.192 13.567
201 1HG1 ILE 26 2HG1 ILE 26 -2.823 26.755 10.644
202 2HG1 ILE 26 3HG1 ILE 26 -1.840 25.658 11.608
203 1HG2 ILE 26 1HG2 ILE 26 -4.948 27.341 11.649
204 2HG2 ILE 26 2HG2 ILE 26 -5.102 27.552 13.392
205 3HG2 ILE 26 3HG2 ILE 26 -4.202 28.731 12.438
206 1HD1 ILE 26 1HD1 ILE 26 -3.411 24.366 10.381
207 2HD1 ILE 26 2HD1 ILE 26 -3.907 24.347 12.075
208 3HD1 ILE 26 3HD1 ILE 26 -4.751 25.378 10.919
209 H THR 27 H THR 27 -2.714 30.241 13.265
210 HA THR 27 HA THR 27 -3.106 30.171 16.187
211 HB THR 27 HB THR 27 -2.652 32.713 16.000
212 HG1 THR 27 1HG THR 27 -1.163 33.157 14.245
213 1HG2 THR 27 1HG2 THR 27 -0.436 32.379 16.618
214 2HG2 THR 27 2HG2 THR 27 -0.216 31.049 15.481
215 3HG2 THR 27 3HG2 THR 27 -1.164 30.808 16.949
216 H LYS 28 H LYS 28 -4.512 32.146 16.878
217 HA LYS 28 HA LYS 28 -6.868 32.193 15.112
218 1HB LYS 28 2HB LYS 28 -8.094 32.776 17.278
219 2HB LYS 28 3HB LYS 28 -7.513 31.126 17.106
220 1HG LYS 28 2HG LYS 28 -5.735 33.085 18.448
221 2HG LYS 28 3HG LYS 28 -7.158 32.515 19.323
222 1HD LYS 28 2HD LYS 28 -6.378 30.373 19.475
223 2HD LYS 28 3HD LYS 28 -5.456 30.487 17.973
224 1HE LYS 28 2HE LYS 28 -3.792 30.438 19.581
225 2HE LYS 28 3HE LYS 28 -3.988 32.165 19.290
226 1HZ LYS 28 1HZ LYS 28 -4.652 30.593 21.649
227 2HZ LYS 28 2HZ LYS 28 -5.726 31.838 21.251
228 3HZ LYS 28 3HZ LYS 28 -4.094 32.186 21.531
229 H SER 29 H SER 29 -8.312 34.194 15.686
230 HA SER 29 HA SER 29 -6.634 36.527 15.221
231 1HB SER 29 2HB SER 29 -8.730 35.935 13.860
232 2HB SER 29 3HB SER 29 -9.650 36.491 15.257
233 HG SER 29 HG SER 29 -9.424 38.267 14.015
234 H ALA 30 H ALA 30 -6.928 38.512 16.378
235 HA ALA 30 HA ALA 30 -7.208 38.095 19.211
236 1HB ALA 30 1HB ALA 30 -6.850 40.769 17.904
237 2HB ALA 30 2HB ALA 30 -6.294 40.224 19.486
238 3HB ALA 30 3HB ALA 30 -5.520 39.616 18.023
239 H HIS 31 H HIS 31 -8.546 39.503 20.577
240 HA HIS 31 HA HIS 31 -10.585 40.247 21.260
241 1HB HIS 31 2HB HIS 31 -10.907 41.310 18.452
242 2HB HIS 31 3HB HIS 31 -11.668 41.914 19.920
243 HD1 HIS 31 1HD HIS 31 -9.164 42.870 17.692
244 HD2 HIS 31 2HD HIS 31 -9.344 42.678 21.839
245 HE1 HIS 31 1HE HIS 31 -7.361 44.418 18.516
246 HA PRO 32 HA PRO 32 -12.646 36.622 19.217
247 1HB PRO 32 2HB PRO 32 -13.200 35.330 21.539
248 2HB PRO 32 3HB PRO 32 -11.667 35.145 20.679
249 1HG PRO 32 2HG PRO 32 -12.318 36.857 23.047
250 2HG PRO 32 3HG PRO 32 -10.887 35.851 22.753
251 1HD PRO 32 2HD PRO 32 -10.881 38.533 22.384
252 2HD PRO 32 3HD PRO 32 -9.897 37.431 21.398
253 H ALA 33 H ALA 33 -14.865 35.685 19.860
254 HA ALA 33 HA ALA 33 -16.726 37.811 19.968
255 1HB ALA 33 1HB ALA 33 -16.886 35.348 19.010
256 2HB ALA 33 2HB ALA 33 -17.614 35.046 20.587
257 3HB ALA 33 3HB ALA 33 -18.319 36.249 19.507
258 H ARG 34 H ARG 34 -18.669 37.627 21.553
259 HA ARG 34 HA ARG 34 -18.231 36.698 24.185
260 1HB ARG 34 2HB ARG 34 -17.176 39.341 23.521
261 2HB ARG 34 3HB ARG 34 -18.310 39.376 24.865
262 1HG ARG 34 2HG ARG 34 -16.869 37.360 25.723
263 2HG ARG 34 3HG ARG 34 -15.648 38.064 24.660
264 1HD ARG 34 2HD ARG 34 -15.229 39.105 26.690
265 2HD ARG 34 3HD ARG 34 -16.233 40.283 25.845
266 HE ARG 34 HE ARG 34 -17.724 38.471 27.504
267 1HH1 ARG 34 2HH1 ARG 34 -15.933 41.455 27.413
268 2HH1 ARG 34 1HH1 ARG 34 -16.730 42.128 28.796
269 1HH2 ARG 34 2HH2 ARG 34 -18.780 39.346 29.327
270 2HH2 ARG 34 1HH2 ARG 34 -18.349 40.927 29.885
271 H PHE 35 H PHE 35 -19.873 37.723 25.738
272 HA PHE 35 HA PHE 35 -22.435 37.441 24.657
273 1HB PHE 35 2HB PHE 35 -21.372 38.477 27.258
274 2HB PHE 35 3HB PHE 35 -23.084 38.662 26.891
275 HD1 PHE 35 1HD PHE 35 -20.400 36.085 26.994
276 HD2 PHE 35 2HD PHE 35 -24.546 36.952 27.404
277 HE1 PHE 35 1HE PHE 35 -20.803 33.779 27.752
278 HE2 PHE 35 2HE PHE 35 -24.957 34.648 28.162
279 HZ PHE 35 HZ PHE 35 -23.084 33.058 28.339
280 H SER 36 H SER 36 -23.415 38.749 23.273
281 HA SER 36 HA SER 36 -24.004 41.434 23.818
282 1HB SER 36 2HB SER 36 -22.670 42.473 21.931
283 2HB SER 36 3HB SER 36 -21.727 41.988 23.341
284 HG SER 36 HG SER 36 -21.440 41.210 20.812
285 HA PRO 37 HA PRO 37 -26.478 39.195 20.570
286 1HB PRO 37 2HB PRO 37 -28.862 39.500 21.831
287 2HB PRO 37 3HB PRO 37 -27.774 38.143 22.148
288 1HG PRO 37 2HG PRO 37 -28.157 40.669 23.708
289 2HG PRO 37 3HG PRO 37 -27.983 39.005 24.297
290 1HD PRO 37 2HD PRO 37 -25.935 40.778 24.311
291 2HD PRO 37 3HD PRO 37 -25.688 39.034 24.080
292 H ASP 38 H ASP 38 -27.451 42.058 22.459
293 HA ASP 38 HA ASP 38 -27.639 43.649 20.066
294 1HB ASP 38 2HB ASP 38 -29.876 42.306 20.442
295 2HB ASP 38 3HB ASP 38 -30.173 43.550 21.652
296 H ASP 39 H ASP 39 -28.567 45.904 20.686
297 HA ASP 39 HA ASP 39 -27.069 46.776 23.007
298 1HB ASP 39 2HB ASP 39 -28.693 48.459 21.091
299 2HB ASP 39 3HB ASP 39 -27.440 49.016 22.198
300 H LYS 40 H LYS 40 -30.340 46.124 22.157
301 HA LYS 40 HA LYS 40 -31.456 47.698 24.322
302 1HB LYS 40 2HB LYS 40 -32.697 45.806 22.323
303 2HB LYS 40 3HB LYS 40 -33.615 46.629 23.577
304 1HG LYS 40 2HG LYS 40 -31.921 48.304 21.817
305 2HG LYS 40 3HG LYS 40 -33.373 47.588 21.113
306 1HD LYS 40 2HD LYS 40 -33.484 49.048 23.730
307 2HD LYS 40 3HD LYS 40 -33.547 49.923 22.198
308 1HE LYS 40 2HE LYS 40 -35.530 48.778 21.540
309 2HE LYS 40 3HE LYS 40 -35.396 47.648 22.886
310 1HZ LYS 40 1HZ LYS 40 -36.002 50.550 23.049
311 2HZ LYS 40 2HZ LYS 40 -35.707 49.567 24.394
312 3HZ LYS 40 3HZ LYS 40 -37.047 49.269 23.407
313 H TYR 41 H TYR 41 -29.733 44.996 24.344
314 HA TYR 41 HA TYR 41 -31.204 43.047 25.668
315 1HB TYR 41 2HB TYR 41 -29.140 42.079 26.297
316 2HB TYR 41 3HB TYR 41 -28.821 42.898 24.772
317 HD1 TYR 41 1HD TYR 41 -27.654 42.392 28.037
318 HD2 TYR 41 2HD TYR 41 -27.959 45.393 25.036
319 HE1 TYR 41 1HE TYR 41 -25.812 43.630 29.095
320 HE2 TYR 41 2HE TYR 41 -26.117 46.638 26.085
321 HH TYR 41 HH TYR 41 -24.824 45.737 29.189
322 H SER 42 H SER 42 -29.984 46.075 26.810
323 HA SER 42 HA SER 42 -29.775 45.684 29.533
324 1HB SER 42 2HB SER 42 -30.752 48.151 29.572
325 2HB SER 42 3HB SER 42 -29.146 47.816 28.927
326 HG SER 42 HG SER 42 -31.482 47.876 27.326
327 H ARG 43 H ARG 43 -31.337 46.559 31.215
328 HA ARG 43 HA ARG 43 -33.795 45.091 30.985
329 1HB ARG 43 2HB ARG 43 -32.319 45.414 33.084
330 2HB ARG 43 3HB ARG 43 -33.121 46.972 33.230
331 1HG ARG 43 2HG ARG 43 -35.190 46.012 33.660
332 2HG ARG 43 3HG ARG 43 -34.715 44.455 32.977
333 1HD ARG 43 2HD ARG 43 -34.826 44.299 35.390
334 2HD ARG 43 3HD ARG 43 -33.154 44.137 34.854
335 HE ARG 43 HE ARG 43 -33.560 46.817 35.432
336 1HH1 ARG 43 2HH1 ARG 43 -33.609 43.773 37.120
337 2HH1 ARG 43 1HH1 ARG 43 -33.128 44.459 38.637
338 1HH2 ARG 43 2HH2 ARG 43 -32.925 47.731 37.423
339 2HH2 ARG 43 1HH2 ARG 43 -32.740 46.710 38.809
340 H GLN 44 H GLN 44 -32.809 48.278 30.321
341 HA GLN 44 HA GLN 44 -35.002 49.835 30.932
342 1HB GLN 44 2HB GLN 44 -34.240 51.376 29.308
343 2HB GLN 44 3HB GLN 44 -32.798 50.564 29.901
344 1HG GLN 44 2HG GLN 44 -33.068 49.011 27.891
345 2HG GLN 44 3HG GLN 44 -34.192 50.221 27.274
346 1HE2 GLN 44 1HE2 GLN 44 -32.961 50.848 25.555
347 2HE2 GLN 44 2HE2 GLN 44 -31.458 51.685 25.714
348 H ARG 45 H ARG 45 -34.632 47.452 28.415
349 HA ARG 45 HA ARG 45 -36.680 48.156 26.683
350 1HB ARG 45 2HB ARG 45 -35.200 45.711 27.335
351 2HB ARG 45 3HB ARG 45 -36.820 45.410 26.718
352 1HG ARG 45 2HG ARG 45 -36.131 47.092 24.857
353 2HG ARG 45 3HG ARG 45 -34.491 46.695 25.372
354 1HD ARG 45 2HD ARG 45 -35.037 45.223 23.590
355 2HD ARG 45 3HD ARG 45 -35.091 44.276 25.076
356 HE ARG 45 HE ARG 45 -37.664 45.189 24.622
357 1HH1 ARG 45 2HH1 ARG 45 -35.338 43.154 23.020
358 2HH1 ARG 45 1HH1 ARG 45 -36.536 42.166 22.253
359 1HH2 ARG 45 2HH2 ARG 45 -39.252 43.895 23.617
360 2HH2 ARG 45 1HH2 ARG 45 -38.762 42.589 22.593
361 H VAL 46 H VAL 46 -36.830 46.710 29.851
362 HA VAL 46 HA VAL 46 -39.557 45.860 29.665
363 HB VAL 46 HB VAL 46 -37.843 46.323 32.109
364 1HG1 VAL 46 1HG1 VAL 46 -40.054 46.352 32.877
365 2HG1 VAL 46 2HG1 VAL 46 -40.560 45.102 31.738
366 3HG1 VAL 46 3HG1 VAL 46 -39.534 44.683 33.110
367 1HG2 VAL 46 1HG2 VAL 46 -38.351 43.580 31.611
368 2HG2 VAL 46 2HG2 VAL 46 -37.770 44.299 30.109
369 3HG2 VAL 46 3HG2 VAL 46 -36.807 44.431 31.580
370 H THR 47 H THR 47 -37.894 48.664 31.046
371 HA THR 47 HA THR 47 -40.163 49.870 32.203
372 HB THR 47 HB THR 47 -38.603 52.017 31.649
373 HG1 THR 47 1HG THR 47 -36.582 51.442 31.249
374 1HG2 THR 47 1HG2 THR 47 -38.482 51.979 33.873
375 2HG2 THR 47 2HG2 THR 47 -37.389 50.596 33.826
376 3HG2 THR 47 3HG2 THR 47 -39.134 50.342 33.850
377 H LEU 48 H LEU 48 -41.934 50.190 30.975
378 HA LEU 48 HA LEU 48 -42.022 50.758 28.257
379 1HB LEU 48 2HB LEU 48 -43.911 51.132 30.528
380 2HB LEU 48 3HB LEU 48 -44.299 51.871 28.976
381 HG LEU 48 HG LEU 48 -43.786 48.926 29.377
382 1HD1 LEU 48 1HD1 LEU 48 -46.239 48.706 29.084
383 2HD1 LEU 48 2HD1 LEU 48 -46.375 50.460 29.223
384 3HD1 LEU 48 3HD1 LEU 48 -45.775 49.511 30.584
385 1HD2 LEU 48 1HD2 LEU 48 -43.915 50.567 27.065
386 2HD2 LEU 48 2HD2 LEU 48 -45.357 49.551 27.096
387 3HD2 LEU 48 3HD2 LEU 48 -43.755 48.813 27.162
388 H LYS 49 H LYS 49 -42.990 53.152 30.700
389 HA LYS 49 HA LYS 49 -42.873 55.430 30.695
390 1HB LYS 49 2HB LYS 49 -40.423 54.550 31.028
391 2HB LYS 49 3HB LYS 49 -40.168 55.229 29.425
392 1HG LYS 49 2HG LYS 49 -41.184 57.379 30.399
393 2HG LYS 49 3HG LYS 49 -40.883 56.633 31.971
394 1HD LYS 49 2HD LYS 49 -38.503 56.351 31.324
395 2HD LYS 49 3HD LYS 49 -38.841 57.224 29.827
396 1HE LYS 49 2HE LYS 49 -38.046 58.918 31.162
397 2HE LYS 49 3HE LYS 49 -39.780 59.045 31.449
398 1HZ LYS 49 1HZ LYS 49 -38.662 57.213 33.271
399 2HZ LYS 49 2HZ LYS 49 -39.440 58.680 33.591
400 3HZ LYS 49 3HZ LYS 49 -37.770 58.649 33.327
401 H LYS 50 H LYS 50 -44.106 54.322 28.395
402 HA LYS 50 HA LYS 50 -43.308 56.253 26.317
403 1HB LYS 50 2HB LYS 50 -44.360 54.736 24.688
404 2HB LYS 50 3HB LYS 50 -43.053 53.951 25.565
405 1HG LYS 50 2HG LYS 50 -44.539 52.288 25.790
406 2HG LYS 50 3HG LYS 50 -45.158 53.276 27.116
407 1HD LYS 50 2HD LYS 50 -47.106 52.963 25.982
408 2HD LYS 50 3HD LYS 50 -46.524 54.391 25.119
409 1HE LYS 50 2HE LYS 50 -45.760 51.661 24.171
410 2HE LYS 50 3HE LYS 50 -47.358 52.303 23.793
411 1HZ LYS 50 1HZ LYS 50 -45.695 54.352 23.170
412 2HZ LYS 50 2HZ LYS 50 -46.354 53.255 22.065
413 3HZ LYS 50 3HZ LYS 50 -44.802 52.998 22.686
414 H ARG 51 H ARG 51 -45.879 55.056 28.315
415 HA ARG 51 HA ARG 51 -48.137 55.991 27.031
416 1HB ARG 51 2HB ARG 51 -49.189 56.096 29.227
417 2HB ARG 51 3HB ARG 51 -48.187 54.658 29.095
418 1HG ARG 51 2HG ARG 51 -46.941 57.077 30.261
419 2HG ARG 51 3HG ARG 51 -48.151 56.231 31.228
420 1HD ARG 51 2HD ARG 51 -46.765 54.114 30.540
421 2HD ARG 51 3HD ARG 51 -45.485 55.297 30.272
422 HE ARG 51 HE ARG 51 -46.498 54.395 32.792
423 1HH1 ARG 51 2HH1 ARG 51 -44.993 57.060 31.134
424 2HH1 ARG 51 1HH1 ARG 51 -44.275 57.715 32.568
425 1HH2 ARG 51 2HH2 ARG 51 -45.557 55.248 34.687
426 2HH2 ARG 51 1HH2 ARG 51 -44.595 56.683 34.588
427 H PHE 52 H PHE 52 -49.481 57.904 27.648
428 HA PHE 52 HA PHE 52 -47.782 60.289 27.974
429 1HB PHE 52 2HB PHE 52 -50.335 60.058 26.368
430 2HB PHE 52 3HB PHE 52 -49.334 61.496 26.523
431 HD1 PHE 52 1HD PHE 52 -47.013 61.470 25.573
432 HD2 PHE 52 2HD PHE 52 -49.861 58.410 24.767
433 HE1 PHE 52 1HE PHE 52 -45.699 60.768 23.614
434 HE2 PHE 52 2HE PHE 52 -48.551 57.703 22.809
435 HZ PHE 52 HZ PHE 52 -46.467 58.881 22.230
436 H GLY 53 H GLY 53 -48.113 61.242 29.867
437 1HA GLY 53 2HA GLY 53 -50.330 60.693 31.541
438 2HA GLY 53 3HA GLY 53 -49.141 61.963 31.791
439 H LEU 54 H LEU 54 -49.580 63.415 29.410
440 HA LEU 54 HA LEU 54 -52.316 64.412 29.867
441 1HB LEU 54 2HB LEU 54 -51.534 66.639 29.412
442 2HB LEU 54 3HB LEU 54 -50.568 65.927 30.703
443 HG LEU 54 HG LEU 54 -49.572 65.870 27.882
444 1HD1 LEU 54 1HD1 LEU 54 -48.758 68.121 29.623
445 2HD1 LEU 54 2HD1 LEU 54 -50.332 68.234 28.837
446 3HD1 LEU 54 3HD1 LEU 54 -48.873 68.027 27.866
447 1HD2 LEU 54 1HD2 LEU 54 -47.942 64.808 28.968
448 2HD2 LEU 54 2HD2 LEU 54 -48.570 65.285 30.546
449 3HD2 LEU 54 3HD2 LEU 54 -47.515 66.377 29.649
450 H VAL 55 H VAL 55 -53.571 64.908 28.116
451 HA VAL 55 HA VAL 55 -52.396 64.653 25.443
452 HB VAL 55 HB VAL 55 -54.942 63.230 26.220
453 1HG1 VAL 55 1HG1 VAL 55 -54.818 62.227 24.038
454 2HG1 VAL 55 2HG1 VAL 55 -54.728 63.981 23.862
455 3HG1 VAL 55 3HG1 VAL 55 -53.266 63.004 23.724
456 1HG2 VAL 55 1HG2 VAL 55 -53.373 61.933 27.302
457 2HG2 VAL 55 2HG2 VAL 55 -53.406 61.182 25.707
458 3HG2 VAL 55 3HG2 VAL 55 -52.107 62.296 26.129
459 HA PRO 56 HA PRO 56 -55.328 68.249 25.904
460 1HB PRO 56 2HB PRO 56 -53.622 70.090 24.870
461 2HB PRO 56 3HB PRO 56 -53.649 69.662 26.585
462 1HG PRO 56 2HG PRO 56 -51.801 68.719 24.426
463 2HG PRO 56 3HG PRO 56 -51.423 69.207 26.088
464 1HD PRO 56 2HD PRO 56 -51.613 66.611 25.339
465 2HD PRO 56 3HD PRO 56 -52.058 67.171 26.964
466 H GLY 57 H GLY 57 -53.502 66.770 23.375
467 1HA GLY 57 2HA GLY 57 -55.590 67.236 21.472
468 2HA GLY 57 3HA GLY 57 -54.156 68.190 21.118
469 H GLN 58 H GLN 58 -52.374 67.218 20.248
470 HA GLN 58 HA GLN 58 -52.682 64.908 18.748
471 1HB GLN 58 2HB GLN 58 -50.908 66.732 18.530
472 2HB GLN 58 3HB GLN 58 -50.017 65.866 19.775
473 1HG GLN 58 2HG GLN 58 -49.256 65.326 17.505
474 2HG GLN 58 3HG GLN 58 -49.858 63.917 18.377
475 1HE2 GLN 58 1HE2 GLN 58 -51.071 62.624 17.214
476 2HE2 GLN 58 2HE2 GLN 58 -52.072 63.081 15.883
Start of MODEL 3
1 1H HIS 2 H HIS 2 13.160 21.003 26.481
2 HA HIS 2 HA HIS 2 11.421 21.167 24.463
3 1HB HIS 2 2HB HIS 2 14.087 21.937 23.268
4 2HB HIS 2 3HB HIS 2 12.543 21.796 22.432
5 HD1 HIS 2 1HD HIS 2 10.650 23.555 23.585
6 HD2 HIS 2 2HD HIS 2 14.689 24.506 23.803
7 HE1 HIS 2 1HE HIS 2 10.735 26.032 24.012
8 H LEU 3 H LEU 3 11.135 19.024 24.548
9 HA LEU 3 HA LEU 3 13.215 17.127 24.794
10 1HB LEU 3 2HB LEU 3 11.421 15.478 24.200
11 2HB LEU 3 3HB LEU 3 11.072 16.522 25.577
12 HG LEU 3 HG LEU 3 9.916 17.897 23.516
13 1HD1 LEU 3 1HD1 LEU 3 8.529 16.129 22.367
14 2HD1 LEU 3 2HD1 LEU 3 9.705 14.952 22.949
15 3HD1 LEU 3 3HD1 LEU 3 10.214 16.240 21.858
16 1HD2 LEU 3 1HD2 LEU 3 7.831 16.454 24.413
17 2HD2 LEU 3 2HD2 LEU 3 8.568 17.775 25.321
18 3HD2 LEU 3 3HD2 LEU 3 9.011 16.104 25.676
19 H MET 4 H MET 4 14.156 15.756 23.305
20 HA MET 4 HA MET 4 13.819 16.548 20.489
21 1HB MET 4 2HB MET 4 16.117 15.731 20.144
22 2HB MET 4 3HB MET 4 16.049 17.019 21.340
23 1HG MET 4 2HG MET 4 15.889 14.247 22.352
24 2HG MET 4 3HG MET 4 17.435 14.774 21.692
25 1HE MET 4 1HE MET 4 19.216 15.866 23.266
26 2HE MET 4 2HE MET 4 18.849 15.685 24.982
27 3HE MET 4 3HE MET 4 18.601 14.331 23.878
28 H TYR 5 H TYR 5 12.352 14.484 22.139
29 HA TYR 5 HA TYR 5 12.423 12.400 20.137
30 1HB TYR 5 2HB TYR 5 12.775 10.571 21.735
31 2HB TYR 5 3HB TYR 5 14.170 11.643 21.680
32 HD1 TYR 5 1HD TYR 5 11.581 10.219 23.749
33 HD2 TYR 5 2HD TYR 5 14.518 13.290 23.540
34 HE1 TYR 5 1HE TYR 5 11.455 10.497 26.189
35 HE2 TYR 5 2HE TYR 5 14.402 13.576 25.980
36 HH TYR 5 HH TYR 5 13.628 12.688 27.903
37 H THR 6 H THR 6 10.396 11.857 19.712
38 HA THR 6 HA THR 6 8.262 12.695 21.463
39 HB THR 6 HB THR 6 6.796 11.639 19.674
40 HG1 THR 6 1HG THR 6 7.751 10.562 18.128
41 1HG2 THR 6 1HG2 THR 6 6.921 13.927 19.451
42 2HG2 THR 6 2HG2 THR 6 7.629 13.414 17.920
43 3HG2 THR 6 3HG2 THR 6 8.672 13.919 19.249
44 H LEU 7 H LEU 7 6.736 11.368 22.460
45 HA LEU 7 HA LEU 7 7.703 8.669 23.052
46 1HB LEU 7 2HB LEU 7 5.605 10.354 24.411
47 2HB LEU 7 3HB LEU 7 6.112 8.748 24.931
48 HG LEU 7 HG LEU 7 7.734 11.287 24.978
49 1HD1 LEU 7 1HD1 LEU 7 6.366 9.594 27.005
50 2HD1 LEU 7 2HD1 LEU 7 6.489 11.349 26.895
51 3HD1 LEU 7 3HD1 LEU 7 7.870 10.402 27.449
52 1HD2 LEU 7 1HD2 LEU 7 9.528 9.996 24.686
53 2HD2 LEU 7 2HD2 LEU 7 8.587 8.512 24.838
54 3HD2 LEU 7 3HD2 LEU 7 9.178 9.334 26.283
55 H GLY 8 H GLY 8 6.111 6.915 23.251
56 1HA GLY 8 2HA GLY 8 4.227 7.033 21.015
57 2HA GLY 8 3HA GLY 8 4.802 5.575 21.810
58 HA PRO 9 HA PRO 9 0.471 6.592 23.255
59 1HB PRO 9 2HB PRO 9 -0.602 4.186 22.604
60 2HB PRO 9 3HB PRO 9 -0.526 5.541 21.473
61 1HG PRO 9 2HG PRO 9 1.274 3.161 21.700
62 2HG PRO 9 3HG PRO 9 0.608 3.925 20.244
63 1HD PRO 9 2HD PRO 9 3.143 4.362 21.090
64 2HD PRO 9 3HD PRO 9 2.190 5.601 20.249
65 H ASP 10 H ASP 10 2.865 4.194 23.819
66 HA ASP 10 HA ASP 10 1.526 3.354 26.301
67 1HB ASP 10 2HB ASP 10 2.210 1.597 24.593
68 2HB ASP 10 3HB ASP 10 3.880 1.987 24.998
69 H GLY 11 H GLY 11 4.212 5.058 25.000
70 1HA GLY 11 2HA GLY 11 5.226 6.644 26.624
71 2HA GLY 11 3HA GLY 11 5.369 5.272 27.713
72 H LYS 12 H LYS 12 5.956 4.604 24.411
73 HA LYS 12 HA LYS 12 8.705 3.968 24.969
74 1HB LYS 12 2HB LYS 12 6.770 3.130 23.108
75 2HB LYS 12 3HB LYS 12 8.048 3.881 22.161
76 1HG LYS 12 2HG LYS 12 9.628 2.331 22.818
77 2HG LYS 12 3HG LYS 12 8.733 1.883 24.273
78 1HD LYS 12 2HD LYS 12 7.189 0.599 23.060
79 2HD LYS 12 3HD LYS 12 7.647 1.340 21.524
80 1HE LYS 12 2HE LYS 12 10.001 0.292 22.160
81 2HE LYS 12 3HE LYS 12 8.980 -0.815 23.077
82 1HZ LYS 12 1HZ LYS 12 7.772 -0.623 20.630
83 2HZ LYS 12 2HZ LYS 12 8.718 -1.913 21.182
84 3HZ LYS 12 3HZ LYS 12 9.423 -0.679 20.264
85 H ARG 13 H ARG 13 10.410 5.242 24.681
86 HA ARG 13 HA ARG 13 10.110 7.902 23.686
87 1HB ARG 13 2HB ARG 13 12.719 6.492 24.229
88 2HB ARG 13 3HB ARG 13 12.391 8.219 24.281
89 1HG ARG 13 2HG ARG 13 10.863 7.782 26.213
90 2HG ARG 13 3HG ARG 13 11.448 6.117 26.213
91 1HD ARG 13 2HD ARG 13 13.786 7.108 26.383
92 2HD ARG 13 3HD ARG 13 12.993 8.640 26.749
93 HE ARG 13 HE ARG 13 13.311 6.406 28.504
94 1HH1 ARG 13 2HH1 ARG 13 11.272 9.121 27.734
95 2HH1 ARG 13 1HH1 ARG 13 10.624 9.254 29.336
96 1HH2 ARG 13 2HH2 ARG 13 12.465 6.571 30.615
97 2HH2 ARG 13 1HH2 ARG 13 11.304 7.804 30.974
98 H ILE 14 H ILE 14 10.988 8.829 21.837
99 HA ILE 14 HA ILE 14 12.160 7.038 19.840
100 HB ILE 14 HB ILE 14 9.844 8.874 19.224
101 1HG1 ILE 14 2HG1 ILE 14 9.901 5.852 19.177
102 2HG1 ILE 14 3HG1 ILE 14 9.267 6.793 20.524
103 1HG2 ILE 14 1HG2 ILE 14 11.559 7.083 17.534
104 2HG2 ILE 14 2HG2 ILE 14 9.945 7.579 17.027
105 3HG2 ILE 14 3HG2 ILE 14 11.192 8.793 17.311
106 1HD1 ILE 14 1HD1 ILE 14 7.931 7.853 18.388
107 2HD1 ILE 14 2HD1 ILE 14 8.060 6.147 17.958
108 3HD1 ILE 14 3HD1 ILE 14 7.310 6.618 19.483
109 H TYR 15 H TYR 15 14.124 8.011 19.801
110 HA TYR 15 HA TYR 15 14.461 10.849 19.853
111 1HB TYR 15 2HB TYR 15 16.263 8.489 19.542
112 2HB TYR 15 3HB TYR 15 16.865 10.072 19.060
113 HD1 TYR 15 1HD TYR 15 15.722 8.021 21.886
114 HD2 TYR 15 2HD TYR 15 17.344 11.772 20.701
115 HE1 TYR 15 1HE TYR 15 16.272 8.518 24.232
116 HE2 TYR 15 2HE TYR 15 17.900 12.278 23.043
117 HH TYR 15 HH TYR 15 17.557 9.888 25.570
118 H THR 16 H THR 16 13.620 11.950 18.177
119 HA THR 16 HA THR 16 14.678 11.336 15.510
120 HB THR 16 HB THR 16 12.353 12.115 14.642
121 HG1 THR 16 1HG THR 16 11.445 12.637 16.658
122 1HG2 THR 16 1HG2 THR 16 11.625 9.550 15.421
123 2HG2 THR 16 2HG2 THR 16 13.389 9.520 15.414
124 3HG2 THR 16 3HG2 THR 16 12.509 9.993 13.961
125 H LEU 17 H LEU 17 14.746 13.454 17.856
126 HA LEU 17 HA LEU 17 15.008 15.707 18.075
127 1HB LEU 17 2HB LEU 17 16.639 14.848 16.110
128 2HB LEU 17 3HB LEU 17 15.701 16.052 15.228
129 HG LEU 17 HG LEU 17 17.777 17.003 16.057
130 1HD1 LEU 17 1HD1 LEU 17 15.398 18.048 17.583
131 2HD1 LEU 17 2HD1 LEU 17 15.778 18.422 15.903
132 3HD1 LEU 17 3HD1 LEU 17 16.868 18.940 17.189
133 1HD2 LEU 17 1HD2 LEU 17 17.292 15.417 18.298
134 2HD2 LEU 17 2HD2 LEU 17 17.132 17.080 18.865
135 3HD2 LEU 17 3HD2 LEU 17 18.616 16.560 18.066
136 H LYS 18 H LYS 18 12.382 15.017 17.612
137 HA LYS 18 HA LYS 18 11.038 16.210 15.520
138 1HB LYS 18 2HB LYS 18 10.362 15.079 18.023
139 2HB LYS 18 3HB LYS 18 9.562 16.644 17.944
140 1HG LYS 18 2HG LYS 18 9.119 15.503 15.449
141 2HG LYS 18 3HG LYS 18 8.921 14.177 16.597
142 1HD LYS 18 2HD LYS 18 6.807 15.009 16.679
143 2HD LYS 18 3HD LYS 18 7.541 16.054 17.898
144 1HE LYS 18 2HE LYS 18 7.462 17.891 16.565
145 2HE LYS 18 3HE LYS 18 7.708 16.963 15.087
146 1HZ LYS 18 1HZ LYS 18 5.237 17.667 16.446
147 2HZ LYS 18 2HZ LYS 18 5.299 16.109 15.789
148 3HZ LYS 18 3HZ LYS 18 5.544 17.456 14.796
149 H LYS 19 H LYS 19 11.296 17.693 18.754
150 HA LYS 19 HA LYS 19 10.528 20.256 17.937
151 1HB LYS 19 2HB LYS 19 12.263 19.467 20.285
152 2HB LYS 19 3HB LYS 19 11.466 21.022 20.085
153 1HG LYS 19 2HG LYS 19 9.786 18.577 19.989
154 2HG LYS 19 3HG LYS 19 10.422 19.094 21.553
155 1HD LYS 19 2HD LYS 19 8.454 20.262 21.519
156 2HD LYS 19 3HD LYS 19 9.521 21.443 20.754
157 1HE LYS 19 2HE LYS 19 8.596 21.142 18.686
158 2HE LYS 19 3HE LYS 19 8.157 19.465 19.007
159 1HZ LYS 19 1HZ LYS 19 6.391 20.289 20.481
160 2HZ LYS 19 2HZ LYS 19 6.187 20.804 18.883
161 3HZ LYS 19 3HZ LYS 19 6.777 21.878 20.050
162 H VAL 20 H VAL 20 12.065 22.214 18.341
163 HA VAL 20 HA VAL 20 14.466 21.758 16.702
164 HB VAL 20 HB VAL 20 12.753 23.321 15.784
165 1HG1 VAL 20 1HG1 VAL 20 12.018 25.169 16.862
166 2HG1 VAL 20 2HG1 VAL 20 12.452 24.231 18.292
167 3HG1 VAL 20 3HG1 VAL 20 13.564 25.449 17.664
168 1HG2 VAL 20 1HG2 VAL 20 14.340 24.619 14.807
169 2HG2 VAL 20 2HG2 VAL 20 15.104 25.037 16.341
170 3HG2 VAL 20 3HG2 VAL 20 15.411 23.465 15.602
171 H THR 21 H THR 21 16.428 22.755 17.262
172 HA THR 21 HA THR 21 16.607 23.575 20.087
173 HB THR 21 HB THR 21 17.736 21.412 19.558
174 HG1 THR 21 1HG THR 21 19.710 22.046 20.598
175 1HG2 THR 21 1HG2 THR 21 18.493 22.501 17.239
176 2HG2 THR 21 2HG2 THR 21 19.390 21.191 18.007
177 3HG2 THR 21 3HG2 THR 21 19.935 22.858 18.190
178 H GLU 22 H GLU 22 18.738 24.851 20.473
179 HA GLU 22 HA GLU 22 18.654 27.128 18.667
180 1HB GLU 22 2HB GLU 22 18.712 27.093 21.316
181 2HB GLU 22 3HB GLU 22 20.448 27.042 21.049
182 1HG GLU 22 2HG GLU 22 20.018 29.064 19.490
183 2HG GLU 22 3HG GLU 22 18.497 29.195 20.371
184 H SER 23 H SER 23 20.299 27.819 17.389
185 HA SER 23 HA SER 23 22.395 25.914 16.814
186 1HB SER 23 2HB SER 23 21.404 26.895 14.892
187 2HB SER 23 3HB SER 23 21.554 28.522 15.552
188 HG SER 23 HG SER 23 23.530 28.617 14.835
189 H GLY 24 H GLY 24 22.211 29.307 17.869
190 1HA GLY 24 2HA GLY 24 24.504 29.040 19.542
191 2HA GLY 24 3HA GLY 24 24.906 29.885 18.055
192 H GLU 25 H GLU 25 23.364 31.730 17.508
193 HA GLU 25 HA GLU 25 23.361 33.539 19.713
194 1HB GLU 25 2HB GLU 25 23.598 33.956 17.115
195 2HB GLU 25 3HB GLU 25 21.850 34.120 17.201
196 1HG GLU 25 2HG GLU 25 22.972 36.277 17.360
197 2HG GLU 25 3HG GLU 25 22.068 35.903 18.826
198 H ILE 26 H ILE 26 21.486 34.742 20.473
199 HA ILE 26 HA ILE 26 19.094 33.030 20.591
200 HB ILE 26 HB ILE 26 20.213 33.404 22.758
201 1HG1 ILE 26 2HG1 ILE 26 17.596 34.901 22.726
202 2HG1 ILE 26 3HG1 ILE 26 17.681 33.163 22.456
203 1HG2 ILE 26 1HG2 ILE 26 20.547 35.996 21.821
204 2HG2 ILE 26 2HG2 ILE 26 19.376 36.145 23.130
205 3HG2 ILE 26 3HG2 ILE 26 20.943 35.395 23.431
206 1HD1 ILE 26 1HD1 ILE 26 17.951 34.707 24.930
207 2HD1 ILE 26 2HD1 ILE 26 17.390 33.055 24.669
208 3HD1 ILE 26 3HD1 ILE 26 19.118 33.400 24.735
209 H THR 27 H THR 27 17.055 33.920 20.330
210 HA THR 27 HA THR 27 17.020 36.573 19.060
211 HB THR 27 HB THR 27 14.766 35.781 18.153
212 HG1 THR 27 1HG THR 27 15.840 33.259 18.944
213 1HG2 THR 27 1HG2 THR 27 16.993 34.046 17.153
214 2HG2 THR 27 2HG2 THR 27 17.095 35.799 16.989
215 3HG2 THR 27 3HG2 THR 27 15.762 34.919 16.242
216 H LYS 28 H LYS 28 16.031 38.191 20.067
217 HA LYS 28 HA LYS 28 14.262 37.557 22.330
218 1HB LYS 28 2HB LYS 28 14.775 39.825 23.143
219 2HB LYS 28 3HB LYS 28 16.225 38.848 22.956
220 1HG LYS 28 2HG LYS 28 16.948 40.046 21.107
221 2HG LYS 28 3HG LYS 28 15.339 40.688 20.771
222 1HD LYS 28 2HD LYS 28 15.486 42.008 22.868
223 2HD LYS 28 3HD LYS 28 17.142 41.436 23.072
224 1HE LYS 28 2HE LYS 28 16.302 42.785 20.536
225 2HE LYS 28 3HE LYS 28 16.713 43.740 21.959
226 1HZ LYS 28 1HZ LYS 28 18.520 41.677 20.838
227 2HZ LYS 28 2HZ LYS 28 18.892 42.879 21.969
228 3HZ LYS 28 3HZ LYS 28 18.577 43.299 20.360
229 H SER 29 H SER 29 14.461 39.160 19.265
230 HA SER 29 HA SER 29 11.859 40.441 19.645
231 1HB SER 29 2HB SER 29 13.967 41.520 18.514
232 2HB SER 29 3HB SER 29 13.432 40.616 17.098
233 HG SER 29 HG SER 29 12.604 42.881 17.510
234 H ALA 30 H ALA 30 12.008 37.575 19.528
235 HA ALA 30 HA ALA 30 10.606 37.064 16.985
236 1HB ALA 30 1HB ALA 30 12.700 35.804 17.206
237 2HB ALA 30 2HB ALA 30 12.099 35.079 18.697
238 3HB ALA 30 3HB ALA 30 11.293 34.741 17.166
239 H HIS 31 H HIS 31 8.587 36.226 17.041
240 HA HIS 31 HA HIS 31 6.543 35.651 17.857
241 1HB HIS 31 2HB HIS 31 7.700 33.599 18.517
242 2HB HIS 31 3HB HIS 31 8.207 34.353 20.025
243 HD1 HIS 31 1HD HIS 31 6.813 33.677 21.938
244 HD2 HIS 31 2HD HIS 31 4.654 33.666 18.388
245 HE1 HIS 31 1HE HIS 31 4.503 32.900 22.558
246 HA PRO 32 HA PRO 32 6.700 39.228 20.822
247 1HB PRO 32 2HB PRO 32 4.917 40.749 19.451
248 2HB PRO 32 3HB PRO 32 6.652 40.757 19.107
249 1HG PRO 32 2HG PRO 32 4.447 39.302 17.697
250 2HG PRO 32 3HG PRO 32 5.825 40.182 17.010
251 1HD PRO 32 2HD PRO 32 5.783 37.483 17.228
252 2HD PRO 32 3HD PRO 32 7.280 38.428 17.358
253 H ALA 33 H ALA 33 4.535 40.489 21.541
254 HA ALA 33 HA ALA 33 2.928 38.532 22.818
255 1HB ALA 33 1HB ALA 33 2.292 41.464 22.571
256 2HB ALA 33 2HB ALA 33 1.782 40.345 23.836
257 3HB ALA 33 3HB ALA 33 3.476 40.819 23.708
258 H ARG 34 H ARG 34 2.314 40.792 20.148
259 HA ARG 34 HA ARG 34 0.565 39.062 18.798
260 1HB ARG 34 2HB ARG 34 -1.568 40.286 19.137
261 2HB ARG 34 3HB ARG 34 -0.999 39.473 20.589
262 1HG ARG 34 2HG ARG 34 -1.535 41.454 21.523
263 2HG ARG 34 3HG ARG 34 0.099 41.868 21.000
264 1HD ARG 34 2HD ARG 34 -1.227 42.493 18.768
265 2HD ARG 34 3HD ARG 34 -2.524 42.743 19.935
266 HE ARG 34 HE ARG 34 -0.313 44.055 20.943
267 1HH1 ARG 34 2HH1 ARG 34 -2.302 44.222 18.091
268 2HH1 ARG 34 1HH1 ARG 34 -2.053 45.920 17.857
269 1HH2 ARG 34 2HH2 ARG 34 0.022 46.292 20.646
270 2HH2 ARG 34 1HH2 ARG 34 -0.731 47.097 19.311
271 H PHE 35 H PHE 35 -0.801 40.392 17.126
272 HA PHE 35 HA PHE 35 0.381 42.929 16.397
273 1HB PHE 35 2HB PHE 35 1.130 42.194 14.183
274 2HB PHE 35 3HB PHE 35 1.989 41.331 15.453
275 HD1 PHE 35 1HD PHE 35 1.297 38.982 16.005
276 HD2 PHE 35 2HD PHE 35 -0.126 41.049 12.569
277 HE1 PHE 35 1HE PHE 35 0.642 36.838 14.992
278 HE2 PHE 35 2HE PHE 35 -0.785 38.910 11.549
279 HZ PHE 35 HZ PHE 35 -0.401 36.799 12.762
280 H SER 36 H SER 36 -0.950 44.157 15.143
281 HA SER 36 HA SER 36 -3.673 43.376 14.943
282 1HB SER 36 2HB SER 36 -2.074 45.777 14.205
283 2HB SER 36 3HB SER 36 -3.638 45.571 13.416
284 HG SER 36 HG SER 36 -4.347 46.462 15.191
285 HA PRO 37 HA PRO 37 -3.976 41.574 10.956
286 1HB PRO 37 2HB PRO 37 -6.296 42.623 10.012
287 2HB PRO 37 3HB PRO 37 -6.241 41.416 11.303
288 1HG PRO 37 2HG PRO 37 -6.551 44.388 11.500
289 2HG PRO 37 3HG PRO 37 -7.411 43.112 12.382
290 1HD PRO 37 2HD PRO 37 -5.358 44.505 13.467
291 2HD PRO 37 3HD PRO 37 -5.684 42.808 13.877
292 H ASP 38 H ASP 38 -4.592 45.073 10.974
293 HA ASP 38 HA ASP 38 -3.876 45.353 8.195
294 1HB ASP 38 2HB ASP 38 -4.460 47.399 10.344
295 2HB ASP 38 3HB ASP 38 -4.134 47.800 8.660
296 H ASP 39 H ASP 39 -1.820 45.172 7.600
297 HA ASP 39 HA ASP 39 0.331 45.848 9.420
298 1HB ASP 39 2HB ASP 39 0.192 43.874 7.682
299 2HB ASP 39 3HB ASP 39 0.791 45.093 6.560
300 H LYS 40 H LYS 40 -1.372 47.298 6.803
301 HA LYS 40 HA LYS 40 0.674 49.157 6.050
302 1HB LYS 40 2HB LYS 40 -1.453 48.317 4.738
303 2HB LYS 40 3HB LYS 40 -2.228 49.674 5.544
304 1HG LYS 40 2HG LYS 40 -1.567 50.742 3.669
305 2HG LYS 40 3HG LYS 40 -0.081 50.937 4.601
306 1HD LYS 40 2HD LYS 40 -0.388 48.477 2.960
307 2HD LYS 40 3HD LYS 40 -0.068 49.997 2.122
308 1HE LYS 40 2HE LYS 40 1.851 50.304 3.775
309 2HE LYS 40 3HE LYS 40 1.615 48.607 4.188
310 1HZ LYS 40 1HZ LYS 40 3.331 48.932 2.493
311 2HZ LYS 40 2HZ LYS 40 2.188 49.627 1.459
312 3HZ LYS 40 3HZ LYS 40 2.043 48.004 1.908
313 H TYR 41 H TYR 41 -1.214 48.894 8.764
314 HA TYR 41 HA TYR 41 -2.153 51.425 9.333
315 1HB TYR 41 2HB TYR 41 -2.189 50.791 11.605
316 2HB TYR 41 3HB TYR 41 -2.368 49.283 10.717
317 HD1 TYR 41 1HD TYR 41 0.036 48.172 10.122
318 HD2 TYR 41 2HD TYR 41 -0.776 50.738 13.418
319 HE1 TYR 41 1HE TYR 41 1.969 47.235 11.320
320 HE2 TYR 41 2HE TYR 41 1.155 49.808 14.624
321 HH TYR 41 HH TYR 41 2.640 46.997 13.828
322 H SER 42 H SER 42 1.126 50.242 9.337
323 HA SER 42 HA SER 42 2.265 52.405 10.799
324 1HB SER 42 2HB SER 42 3.231 50.021 10.207
325 2HB SER 42 3HB SER 42 3.855 50.860 8.787
326 HG SER 42 HG SER 42 5.088 50.771 10.959
327 H ARG 43 H ARG 43 1.973 51.677 7.336
328 HA ARG 43 HA ARG 43 3.150 54.217 6.602
329 1HB ARG 43 2HB ARG 43 1.778 52.252 4.770
330 2HB ARG 43 3HB ARG 43 2.962 53.480 4.342
331 1HG ARG 43 2HG ARG 43 4.510 52.134 5.959
332 2HG ARG 43 3HG ARG 43 3.363 50.831 5.641
333 1HD ARG 43 2HD ARG 43 5.177 50.663 4.076
334 2HD ARG 43 3HD ARG 43 3.727 51.173 3.211
335 HE ARG 43 HE ARG 43 5.014 53.499 3.866
336 1HH1 ARG 43 2HH1 ARG 43 5.841 50.609 2.110
337 2HH1 ARG 43 1HH1 ARG 43 6.947 51.415 1.048
338 1HH2 ARG 43 2HH2 ARG 43 6.468 54.571 2.474
339 2HH2 ARG 43 1HH2 ARG 43 7.304 53.669 1.257
340 H GLN 44 H GLN 44 0.260 53.467 7.828
341 HA GLN 44 HA GLN 44 -1.697 54.477 6.162
342 1HB GLN 44 2HB GLN 44 -1.885 53.430 8.519
343 2HB GLN 44 3HB GLN 44 -1.691 55.075 9.107
344 1HG GLN 44 2HG GLN 44 -3.640 55.624 7.499
345 2HG GLN 44 3HG GLN 44 -3.933 53.885 7.535
346 1HE2 GLN 44 1HE2 GLN 44 -4.808 52.964 9.328
347 2HE2 GLN 44 2HE2 GLN 44 -5.362 53.862 10.695
348 H ARG 45 H ARG 45 0.654 56.196 8.117
349 HA ARG 45 HA ARG 45 -0.532 58.770 7.815
350 1HB ARG 45 2HB ARG 45 2.383 58.249 8.365
351 2HB ARG 45 3HB ARG 45 1.410 59.627 8.866
352 1HG ARG 45 2HG ARG 45 1.286 58.581 10.830
353 2HG ARG 45 3HG ARG 45 0.090 57.551 10.042
354 1HD ARG 45 2HD ARG 45 1.407 55.786 10.320
355 2HD ARG 45 3HD ARG 45 2.678 56.575 9.387
356 HE ARG 45 HE ARG 45 2.518 56.335 12.255
357 1HH1 ARG 45 2HH1 ARG 45 3.895 58.083 9.577
358 2HH1 ARG 45 1HH1 ARG 45 5.255 58.659 10.485
359 1HH2 ARG 45 2HH2 ARG 45 4.303 57.088 13.459
360 2HH2 ARG 45 1HH2 ARG 45 5.485 58.092 12.692
361 H VAL 46 H VAL 46 2.413 57.350 6.382
362 HA VAL 46 HA VAL 46 2.931 59.404 4.567
363 HB VAL 46 HB VAL 46 4.256 57.758 3.300
364 1HG1 VAL 46 1HG1 VAL 46 5.772 57.103 5.144
365 2HG1 VAL 46 2HG1 VAL 46 5.266 58.792 5.232
366 3HG1 VAL 46 3HG1 VAL 46 4.532 57.593 6.299
367 1HG2 VAL 46 1HG2 VAL 46 3.147 55.726 5.234
368 2HG2 VAL 46 2HG2 VAL 46 2.687 55.865 3.536
369 3HG2 VAL 46 3HG2 VAL 46 4.342 55.434 3.970
370 H THR 47 H THR 47 0.666 56.764 4.421
371 HA THR 47 HA THR 47 0.183 56.710 1.657
372 HB THR 47 HB THR 47 -1.711 56.082 3.930
373 HG1 THR 47 1HG THR 47 -1.036 53.868 2.991
374 1HG2 THR 47 1HG2 THR 47 -3.216 56.165 2.225
375 2HG2 THR 47 2HG2 THR 47 -2.581 54.549 1.914
376 3HG2 THR 47 3HG2 THR 47 -1.987 55.925 0.984
377 H LEU 48 H LEU 48 -1.290 58.624 4.248
378 HA LEU 48 HA LEU 48 -2.078 60.639 2.332
379 1HB LEU 48 2HB LEU 48 -4.112 59.126 3.957
380 2HB LEU 48 3HB LEU 48 -4.438 60.659 3.153
381 HG LEU 48 HG LEU 48 -3.657 58.102 1.754
382 1HD1 LEU 48 1HD1 LEU 48 -5.898 58.051 2.844
383 2HD1 LEU 48 2HD1 LEU 48 -5.941 57.907 1.087
384 3HD1 LEU 48 3HD1 LEU 48 -6.353 59.440 1.857
385 1HD2 LEU 48 1HD2 LEU 48 -3.380 59.319 -0.079
386 2HD2 LEU 48 2HD2 LEU 48 -3.531 60.774 0.907
387 3HD2 LEU 48 3HD2 LEU 48 -4.957 60.079 0.136
388 H LYS 49 H LYS 49 -1.650 62.548 3.208
389 HA LYS 49 HA LYS 49 -1.344 62.744 6.108
390 1HB LYS 49 2HB LYS 49 0.538 63.561 4.880
391 2HB LYS 49 3HB LYS 49 -0.488 64.532 3.832
392 1HG LYS 49 2HG LYS 49 -0.749 66.182 5.382
393 2HG LYS 49 3HG LYS 49 -0.554 65.083 6.749
394 1HD LYS 49 2HD LYS 49 1.725 65.734 4.902
395 2HD LYS 49 3HD LYS 49 1.331 66.755 6.287
396 1HE LYS 49 2HE LYS 49 1.409 64.526 7.618
397 2HE LYS 49 3HE LYS 49 2.320 63.931 6.231
398 1HZ LYS 49 1HZ LYS 49 3.352 66.427 7.001
399 2HZ LYS 49 2HZ LYS 49 4.121 64.921 7.013
400 3HZ LYS 49 3HZ LYS 49 3.261 65.441 8.373
401 H LYS 50 H LYS 50 -2.709 63.835 7.379
402 HA LYS 50 HA LYS 50 -4.896 65.317 6.084
403 1HB LYS 50 2HB LYS 50 -5.211 63.247 7.701
404 2HB LYS 50 3HB LYS 50 -5.016 64.474 8.946
405 1HG LYS 50 2HG LYS 50 -6.945 65.026 6.763
406 2HG LYS 50 3HG LYS 50 -7.384 63.813 7.969
407 1HD LYS 50 2HD LYS 50 -7.446 65.344 9.684
408 2HD LYS 50 3HD LYS 50 -6.311 66.439 8.889
409 1HE LYS 50 2HE LYS 50 -8.277 67.597 8.638
410 2HE LYS 50 3HE LYS 50 -8.245 66.674 7.136
411 1HZ LYS 50 1HZ LYS 50 -9.516 65.298 9.321
412 2HZ LYS 50 2HZ LYS 50 -10.041 65.516 7.729
413 3HZ LYS 50 3HZ LYS 50 -10.303 66.729 8.879
414 H ARG 51 H ARG 51 -2.362 65.504 8.482
415 HA ARG 51 HA ARG 51 -3.056 67.782 9.876
416 1HB ARG 51 2HB ARG 51 -1.083 66.345 10.353
417 2HB ARG 51 3HB ARG 51 -0.273 67.044 8.957
418 1HG ARG 51 2HG ARG 51 -0.316 69.235 9.996
419 2HG ARG 51 3HG ARG 51 -1.198 68.578 11.377
420 1HD ARG 51 2HD ARG 51 1.562 67.730 10.503
421 2HD ARG 51 3HD ARG 51 1.211 68.841 11.826
422 HE ARG 51 HE ARG 51 1.043 65.987 11.886
423 1HH1 ARG 51 2HH1 ARG 51 -0.257 68.923 13.234
424 2HH1 ARG 51 1HH1 ARG 51 -0.750 68.176 14.718
425 1HH2 ARG 51 2HH2 ARG 51 0.398 64.993 13.835
426 2HH2 ARG 51 1HH2 ARG 51 -0.376 65.942 15.060
427 H PHE 52 H PHE 52 -1.202 67.587 6.843
428 HA PHE 52 HA PHE 52 -1.502 70.479 6.504
429 1HB PHE 52 2HB PHE 52 0.291 68.413 5.259
430 2HB PHE 52 3HB PHE 52 0.053 69.976 4.483
431 HD1 PHE 52 1HD PHE 52 0.785 68.646 7.896
432 HD2 PHE 52 2HD PHE 52 1.618 71.583 4.929
433 HE1 PHE 52 1HE PHE 52 2.508 69.625 9.354
434 HE2 PHE 52 2HE PHE 52 3.343 72.566 6.382
435 HZ PHE 52 HZ PHE 52 3.790 71.588 8.598
436 H GLY 53 H GLY 53 -2.446 67.417 5.096
437 1HA GLY 53 2HA GLY 53 -4.276 66.997 3.726
438 2HA GLY 53 3HA GLY 53 -4.543 68.730 3.601
439 H LEU 54 H LEU 54 -2.976 69.935 2.216
440 HA LEU 54 HA LEU 54 -2.406 68.342 -0.182
441 1HB LEU 54 2HB LEU 54 -2.343 70.527 -1.344
442 2HB LEU 54 3HB LEU 54 -3.895 70.162 -0.595
443 HG LEU 54 HG LEU 54 -2.189 71.720 1.160
444 1HD1 LEU 54 1HD1 LEU 54 -1.925 73.680 -0.045
445 2HD1 LEU 54 2HD1 LEU 54 -3.086 73.198 -1.282
446 3HD1 LEU 54 3HD1 LEU 54 -1.494 72.441 -1.224
447 1HD2 LEU 54 1HD2 LEU 54 -4.726 71.268 1.172
448 2HD2 LEU 54 2HD2 LEU 54 -4.808 72.552 -0.034
449 3HD2 LEU 54 3HD2 LEU 54 -4.156 72.889 1.570
450 H VAL 55 H VAL 55 -0.556 69.556 -1.526
451 HA VAL 55 HA VAL 55 1.751 69.776 0.298
452 HB VAL 55 HB VAL 55 1.832 68.852 -2.575
453 1HG1 VAL 55 1HG1 VAL 55 4.063 67.893 -1.584
454 2HG1 VAL 55 2HG1 VAL 55 3.966 69.570 -2.125
455 3HG1 VAL 55 3HG1 VAL 55 3.849 69.186 -0.406
456 1HG2 VAL 55 1HG2 VAL 55 1.884 67.193 -0.056
457 2HG2 VAL 55 2HG2 VAL 55 0.557 67.268 -1.215
458 3HG2 VAL 55 3HG2 VAL 55 2.111 66.590 -1.698
459 HA PRO 56 HA PRO 56 1.264 73.831 -1.935
460 1HB PRO 56 2HB PRO 56 1.607 75.366 0.278
461 2HB PRO 56 3HB PRO 56 0.033 74.732 -0.217
462 1HG PRO 56 2HG PRO 56 1.925 73.694 1.858
463 2HG PRO 56 3HG PRO 56 0.162 73.861 1.935
464 1HD PRO 56 2HD PRO 56 1.379 71.497 1.431
465 2HD PRO 56 3HD PRO 56 -0.201 71.923 0.744
466 H GLY 57 H GLY 57 2.913 75.222 -2.533
467 1HA GLY 57 2HA GLY 57 5.593 74.393 -1.674
468 2HA GLY 57 3HA GLY 57 5.212 75.289 -3.137
469 H GLN 58 H GLN 58 4.157 77.508 -2.645
470 HA GLN 58 HA GLN 58 5.980 78.880 -0.841
471 1HB GLN 58 2HB GLN 58 5.335 80.894 -1.945
472 2HB GLN 58 3HB GLN 58 5.547 79.670 -3.191
473 1HG GLN 58 2HG GLN 58 3.599 80.632 -3.875
474 2HG GLN 58 3HG GLN 58 2.974 79.330 -2.864
475 1HE2 GLN 58 1HE2 GLN 58 1.052 80.655 -2.755
476 2HE2 GLN 58 2HE2 GLN 58 0.967 81.936 -1.601
Start of MODEL 4
1 1H HIS 2 H HIS 2 10.540 20.488 26.406
2 HA HIS 2 HA HIS 2 11.829 21.453 23.938
3 1HB HIS 2 2HB HIS 2 12.633 21.764 26.810
4 2HB HIS 2 3HB HIS 2 13.863 21.752 25.551
5 HD1 HIS 2 1HD HIS 2 14.484 24.036 24.880
6 HD2 HIS 2 2HD HIS 2 10.478 23.793 25.957
7 HE1 HIS 2 1HE HIS 2 13.570 26.362 24.601
8 H LEU 3 H LEU 3 10.841 18.758 24.694
9 HA LEU 3 HA LEU 3 13.149 17.145 25.232
10 1HB LEU 3 2HB LEU 3 10.439 16.348 24.178
11 2HB LEU 3 3HB LEU 3 11.669 15.252 24.808
12 HG LEU 3 HG LEU 3 11.349 16.836 26.951
13 1HD1 LEU 3 1HD1 LEU 3 9.187 17.540 25.241
14 2HD1 LEU 3 2HD1 LEU 3 9.541 18.112 26.872
15 3HD1 LEU 3 3HD1 LEU 3 8.543 16.676 26.638
16 1HD2 LEU 3 1HD2 LEU 3 9.801 14.402 26.105
17 2HD2 LEU 3 2HD2 LEU 3 9.664 15.097 27.721
18 3HD2 LEU 3 3HD2 LEU 3 11.220 14.494 27.148
19 H MET 4 H MET 4 14.331 15.884 23.828
20 HA MET 4 HA MET 4 14.144 16.658 21.009
21 1HB MET 4 2HB MET 4 16.345 15.627 22.752
22 2HB MET 4 3HB MET 4 16.438 15.366 21.015
23 1HG MET 4 2HG MET 4 17.609 17.329 21.302
24 2HG MET 4 3HG MET 4 16.007 17.897 20.835
25 1HE MET 4 1HE MET 4 15.740 20.462 22.234
26 2HE MET 4 2HE MET 4 17.210 20.647 23.190
27 3HE MET 4 3HE MET 4 17.298 19.986 21.557
28 H TYR 5 H TYR 5 12.389 14.664 22.341
29 HA TYR 5 HA TYR 5 12.475 12.678 20.291
30 1HB TYR 5 2HB TYR 5 12.860 10.725 21.664
31 2HB TYR 5 3HB TYR 5 14.225 11.821 21.839
32 HD1 TYR 5 1HD TYR 5 11.743 9.931 23.551
33 HD2 TYR 5 2HD TYR 5 14.219 13.374 23.898
34 HE1 TYR 5 1HE TYR 5 11.458 9.882 25.994
35 HE2 TYR 5 2HE TYR 5 13.941 13.335 26.341
36 HH TYR 5 HH TYR 5 12.961 12.346 28.068
37 H THR 6 H THR 6 10.458 12.037 19.890
38 HA THR 6 HA THR 6 8.326 12.903 21.630
39 HB THR 6 HB THR 6 6.814 12.072 19.892
40 HG1 THR 6 1HG THR 6 7.929 11.264 17.920
41 1HG2 THR 6 1HG2 THR 6 9.147 13.760 19.036
42 2HG2 THR 6 2HG2 THR 6 7.513 14.267 19.464
43 3HG2 THR 6 3HG2 THR 6 7.805 13.426 17.943
44 H LEU 7 H LEU 7 6.640 11.511 22.416
45 HA LEU 7 HA LEU 7 7.659 8.856 23.148
46 1HB LEU 7 2HB LEU 7 5.478 10.519 24.398
47 2HB LEU 7 3HB LEU 7 6.004 8.935 24.964
48 HG LEU 7 HG LEU 7 7.565 11.513 25.027
49 1HD1 LEU 7 1HD1 LEU 7 7.102 9.820 27.408
50 2HD1 LEU 7 2HD1 LEU 7 5.718 10.709 26.774
51 3HD1 LEU 7 3HD1 LEU 7 7.176 11.575 27.256
52 1HD2 LEU 7 1HD2 LEU 7 8.483 8.762 24.963
53 2HD2 LEU 7 2HD2 LEU 7 8.978 9.597 26.435
54 3HD2 LEU 7 3HD2 LEU 7 9.401 10.265 24.859
55 H GLY 8 H GLY 8 6.188 7.048 23.185
56 1HA GLY 8 2HA GLY 8 4.307 7.173 20.946
57 2HA GLY 8 3HA GLY 8 4.954 5.711 21.675
58 HA PRO 9 HA PRO 9 0.573 6.528 23.159
59 1HB PRO 9 2HB PRO 9 -0.487 4.206 22.233
60 2HB PRO 9 3HB PRO 9 -0.420 5.686 21.267
61 1HG PRO 9 2HG PRO 9 1.395 3.305 21.215
62 2HG PRO 9 3HG PRO 9 0.723 4.229 19.859
63 1HD PRO 9 2HD PRO 9 3.256 4.580 20.749
64 2HD PRO 9 3HD PRO 9 2.294 5.903 20.058
65 H ASP 10 H ASP 10 3.065 4.267 23.561
66 HA ASP 10 HA ASP 10 1.676 2.941 25.787
67 1HB ASP 10 2HB ASP 10 2.681 1.482 24.039
68 2HB ASP 10 3HB ASP 10 4.264 2.143 24.440
69 H GLY 11 H GLY 11 4.150 5.191 25.016
70 1HA GLY 11 2HA GLY 11 4.846 6.667 26.839
71 2HA GLY 11 3HA GLY 11 4.948 5.239 27.859
72 H LYS 12 H LYS 12 6.078 4.420 24.856
73 HA LYS 12 HA LYS 12 8.790 4.298 25.781
74 1HB LYS 12 2HB LYS 12 7.635 3.677 23.055
75 2HB LYS 12 3HB LYS 12 9.254 3.257 23.601
76 1HG LYS 12 2HG LYS 12 8.094 1.955 25.467
77 2HG LYS 12 3HG LYS 12 6.624 2.140 24.506
78 1HD LYS 12 2HD LYS 12 7.530 0.057 23.877
79 2HD LYS 12 3HD LYS 12 7.950 1.164 22.568
80 1HE LYS 12 2HE LYS 12 10.138 1.497 23.979
81 2HE LYS 12 3HE LYS 12 9.692 -0.071 24.652
82 1HZ LYS 12 1HZ LYS 12 9.419 -0.594 22.081
83 2HZ LYS 12 2HZ LYS 12 10.889 -0.784 22.894
84 3HZ LYS 12 3HZ LYS 12 10.608 0.605 21.971
85 H ARG 13 H ARG 13 10.616 5.086 24.414
86 HA ARG 13 HA ARG 13 10.027 7.802 23.443
87 1HB ARG 13 2HB ARG 13 12.543 8.126 23.860
88 2HB ARG 13 3HB ARG 13 11.486 8.023 25.263
89 1HG ARG 13 2HG ARG 13 12.652 5.482 24.327
90 2HG ARG 13 3HG ARG 13 13.773 6.653 25.023
91 1HD ARG 13 2HD ARG 13 13.164 5.792 26.997
92 2HD ARG 13 3HD ARG 13 11.685 6.727 26.788
93 HE ARG 13 HE ARG 13 10.556 4.763 26.563
94 1HH1 ARG 13 2HH1 ARG 13 13.912 4.195 25.832
95 2HH1 ARG 13 1HH1 ARG 13 13.716 2.484 25.645
96 1HH2 ARG 13 2HH2 ARG 13 10.285 2.512 26.318
97 2HH2 ARG 13 1HH2 ARG 13 11.652 1.528 25.920
98 H ILE 14 H ILE 14 10.874 8.515 21.503
99 HA ILE 14 HA ILE 14 12.443 6.650 19.894
100 HB ILE 14 HB ILE 14 9.845 7.845 18.919
101 1HG1 ILE 14 2HG1 ILE 14 10.589 4.947 19.367
102 2HG1 ILE 14 3HG1 ILE 14 9.602 5.903 20.467
103 1HG2 ILE 14 1HG2 ILE 14 11.827 6.060 17.511
104 2HG2 ILE 14 2HG2 ILE 14 10.275 6.592 16.865
105 3HG2 ILE 14 3HG2 ILE 14 11.550 7.769 17.176
106 1HD1 ILE 14 1HD1 ILE 14 8.946 4.963 17.702
107 2HD1 ILE 14 2HD1 ILE 14 8.076 4.672 19.210
108 3HD1 ILE 14 3HD1 ILE 14 8.057 6.275 18.475
109 H TYR 15 H TYR 15 14.191 7.925 19.648
110 HA TYR 15 HA TYR 15 14.292 10.683 19.517
111 1HB TYR 15 2HB TYR 15 16.095 8.505 18.539
112 2HB TYR 15 3HB TYR 15 16.445 10.169 18.086
113 HD1 TYR 15 1HD TYR 15 18.042 11.184 19.390
114 HD2 TYR 15 2HD TYR 15 15.408 8.378 21.207
115 HE1 TYR 15 1HE TYR 15 19.161 11.541 21.552
116 HE2 TYR 15 2HE TYR 15 16.519 8.729 23.373
117 HH TYR 15 HH TYR 15 19.468 10.159 23.716
118 H THR 16 H THR 16 13.159 11.926 18.177
119 HA THR 16 HA THR 16 13.519 11.616 15.316
120 HB THR 16 HB THR 16 11.502 10.237 15.852
121 HG1 THR 16 1HG THR 16 10.329 11.109 14.138
122 1HG2 THR 16 1HG2 THR 16 9.889 11.001 17.185
123 2HG2 THR 16 2HG2 THR 16 9.654 12.410 16.151
124 3HG2 THR 16 3HG2 THR 16 10.844 12.459 17.452
125 H LEU 17 H LEU 17 14.205 13.559 17.428
126 HA LEU 17 HA LEU 17 12.640 15.827 17.476
127 1HB LEU 17 2HB LEU 17 14.563 17.030 18.122
128 2HB LEU 17 3HB LEU 17 14.761 15.395 18.749
129 HG LEU 17 HG LEU 17 16.111 15.132 16.456
130 1HD1 LEU 17 1HD1 LEU 17 16.339 17.099 15.430
131 2HD1 LEU 17 2HD1 LEU 17 17.477 17.498 16.717
132 3HD1 LEU 17 3HD1 LEU 17 15.791 18.001 16.844
133 1HD2 LEU 17 1HD2 LEU 17 17.228 14.506 18.362
134 2HD2 LEU 17 2HD2 LEU 17 16.929 16.043 19.176
135 3HD2 LEU 17 3HD2 LEU 17 18.141 15.942 17.897
136 H LYS 18 H LYS 18 14.701 14.634 14.923
137 HA LYS 18 HA LYS 18 14.821 17.003 13.381
138 1HB LYS 18 2HB LYS 18 16.409 15.305 12.901
139 2HB LYS 18 3HB LYS 18 15.157 14.088 12.694
140 1HG LYS 18 2HG LYS 18 14.597 14.823 10.589
141 2HG LYS 18 3HG LYS 18 15.216 16.450 10.875
142 1HD LYS 18 2HD LYS 18 16.692 15.312 9.352
143 2HD LYS 18 3HD LYS 18 17.516 15.510 10.901
144 1HE LYS 18 2HE LYS 18 17.169 13.234 11.473
145 2HE LYS 18 3HE LYS 18 16.039 13.001 10.140
146 1HZ LYS 18 1HZ LYS 18 17.705 12.500 8.790
147 2HZ LYS 18 2HZ LYS 18 18.750 12.517 10.119
148 3HZ LYS 18 3HZ LYS 18 18.549 13.913 9.185
149 H LYS 19 H LYS 19 12.949 18.007 12.902
150 HA LYS 19 HA LYS 19 10.462 16.887 12.467
151 1HB LYS 19 2HB LYS 19 11.288 19.393 12.624
152 2HB LYS 19 3HB LYS 19 11.258 19.282 10.869
153 1HG LYS 19 2HG LYS 19 8.845 18.319 11.316
154 2HG LYS 19 3HG LYS 19 9.017 19.234 12.815
155 1HD LYS 19 2HD LYS 19 9.696 20.548 10.224
156 2HD LYS 19 3HD LYS 19 7.999 20.351 10.668
157 1HE LYS 19 2HE LYS 19 8.457 22.412 11.574
158 2HE LYS 19 3HE LYS 19 8.790 21.360 12.948
159 1HZ LYS 19 1HZ LYS 19 10.786 22.540 11.093
160 2HZ LYS 19 2HZ LYS 19 11.155 21.415 12.301
161 3HZ LYS 19 3HZ LYS 19 10.554 22.940 12.720
162 H VAL 20 H VAL 20 9.377 16.046 10.748
163 HA VAL 20 HA VAL 20 10.844 14.809 8.686
164 HB VAL 20 HB VAL 20 8.687 13.943 9.500
165 1HG1 VAL 20 1HG1 VAL 20 6.611 14.963 8.995
166 2HG1 VAL 20 2HG1 VAL 20 7.632 16.235 9.668
167 3HG1 VAL 20 3HG1 VAL 20 7.369 16.142 7.926
168 1HG2 VAL 20 1HG2 VAL 20 9.623 13.418 7.215
169 2HG2 VAL 20 2HG2 VAL 20 7.889 13.156 7.412
170 3HG2 VAL 20 3HG2 VAL 20 8.474 14.591 6.568
171 H THR 21 H THR 21 11.262 15.362 6.613
172 HA THR 21 HA THR 21 10.888 18.135 5.875
173 HB THR 21 HB THR 21 12.209 15.911 4.307
174 HG1 THR 21 1HG THR 21 13.093 17.599 6.360
175 1HG2 THR 21 1HG2 THR 21 12.502 17.397 2.673
176 2HG2 THR 21 2HG2 THR 21 13.231 18.540 3.801
177 3HG2 THR 21 3HG2 THR 21 11.485 18.532 3.559
178 H GLU 22 H GLU 22 10.338 15.092 4.087
179 HA GLU 22 HA GLU 22 8.545 16.294 2.248
180 1HB GLU 22 2HB GLU 22 9.340 13.478 2.888
181 2HB GLU 22 3HB GLU 22 7.964 13.772 1.833
182 1HG GLU 22 2HG GLU 22 10.687 14.944 1.348
183 2HG GLU 22 3HG GLU 22 10.164 13.396 0.687
184 H SER 23 H SER 23 6.467 16.771 2.475
185 HA SER 23 HA SER 23 5.046 15.831 4.841
186 1HB SER 23 2HB SER 23 4.142 17.851 2.778
187 2HB SER 23 3HB SER 23 3.435 17.573 4.370
188 HG SER 23 HG SER 23 5.985 18.648 3.759
189 H GLY 24 H GLY 24 4.990 15.540 1.358
190 1HA GLY 24 2HA GLY 24 4.086 13.570 0.330
191 2HA GLY 24 3HA GLY 24 2.914 13.473 1.637
192 H GLU 25 H GLU 25 1.284 15.236 1.730
193 HA GLU 25 HA GLU 25 0.752 16.500 -0.853
194 1HB GLU 25 2HB GLU 25 -0.424 14.237 -0.665
195 2HB GLU 25 3HB GLU 25 -1.413 14.977 0.585
196 1HG GLU 25 2HG GLU 25 -2.450 16.416 -0.902
197 2HG GLU 25 3HG GLU 25 -1.168 16.258 -2.102
198 H ILE 26 H ILE 26 -0.844 18.207 -0.741
199 HA ILE 26 HA ILE 26 -1.150 19.294 1.983
200 HB ILE 26 HB ILE 26 -0.751 20.850 -0.575
201 1HG1 ILE 26 2HG1 ILE 26 1.078 20.651 1.821
202 2HG1 ILE 26 3HG1 ILE 26 1.270 19.670 0.372
203 1HG2 ILE 26 1HG2 ILE 26 -2.106 22.213 0.722
204 2HG2 ILE 26 2HG2 ILE 26 -1.380 21.667 2.233
205 3HG2 ILE 26 3HG2 ILE 26 -0.485 22.745 1.163
206 1HD1 ILE 26 1HD1 ILE 26 2.404 21.294 -0.602
207 2HD1 ILE 26 2HD1 ILE 26 1.056 22.410 -0.380
208 3HD1 ILE 26 3HD1 ILE 26 2.278 22.242 0.880
209 H THR 27 H THR 27 -3.139 19.875 2.615
210 HA THR 27 HA THR 27 -5.294 19.749 0.609
211 HB THR 27 HB THR 27 -5.398 18.010 2.386
212 HG1 THR 27 1HG THR 27 -7.352 18.581 1.492
213 1HG2 THR 27 1HG2 THR 27 -5.175 18.486 4.556
214 2HG2 THR 27 2HG2 THR 27 -6.402 19.750 4.467
215 3HG2 THR 27 3HG2 THR 27 -4.723 20.120 4.077
216 H LYS 28 H LYS 28 -7.128 21.173 0.929
217 HA LYS 28 HA LYS 28 -6.627 23.535 2.579
218 1HB LYS 28 2HB LYS 28 -5.858 23.732 0.066
219 2HB LYS 28 3HB LYS 28 -7.577 23.960 -0.225
220 1HG LYS 28 2HG LYS 28 -7.644 25.930 1.046
221 2HG LYS 28 3HG LYS 28 -6.078 25.601 1.791
222 1HD LYS 28 2HD LYS 28 -5.492 27.179 0.225
223 2HD LYS 28 3HD LYS 28 -5.228 25.692 -0.689
224 1HE LYS 28 2HE LYS 28 -6.423 27.286 -2.055
225 2HE LYS 28 3HE LYS 28 -7.479 25.929 -1.668
226 1HZ LYS 28 1HZ LYS 28 -7.514 28.356 0.003
227 2HZ LYS 28 2HZ LYS 28 -8.730 27.204 -0.230
228 3HZ LYS 28 3HZ LYS 28 -8.377 28.317 -1.453
229 H SER 29 H SER 29 -8.574 24.986 2.639
230 HA SER 29 HA SER 29 -11.014 23.340 2.586
231 1HB SER 29 2HB SER 29 -10.400 25.764 4.295
232 2HB SER 29 3HB SER 29 -11.875 24.799 4.363
233 HG SER 29 HG SER 29 -10.832 23.618 5.741
234 H ALA 30 H ALA 30 -13.036 24.455 2.111
235 HA ALA 30 HA ALA 30 -12.635 26.541 0.078
236 1HB ALA 30 1HB ALA 30 -14.056 25.421 -1.206
237 2HB ALA 30 2HB ALA 30 -14.060 24.137 0.003
238 3HB ALA 30 3HB ALA 30 -15.278 25.411 0.064
239 H HIS 31 H HIS 31 -14.258 28.231 -0.097
240 HA HIS 31 HA HIS 31 -16.161 28.730 1.934
241 1HB HIS 31 2HB HIS 31 -13.790 29.147 3.010
242 2HB HIS 31 3HB HIS 31 -13.894 30.672 2.135
243 HD1 HIS 31 1HD HIS 31 -13.831 31.498 4.770
244 HD2 HIS 31 2HD HIS 31 -17.347 29.788 3.364
245 HE1 HIS 31 1HE HIS 31 -15.621 32.216 6.385
246 HA PRO 32 HA PRO 32 -16.484 31.115 -2.048
247 1HB PRO 32 2HB PRO 32 -19.005 30.287 -2.619
248 2HB PRO 32 3HB PRO 32 -17.565 29.383 -3.102
249 1HG PRO 32 2HG PRO 32 -19.392 28.935 -0.772
250 2HG PRO 32 3HG PRO 32 -18.682 27.747 -1.881
251 1HD PRO 32 2HD PRO 32 -17.679 28.214 0.589
252 2HD PRO 32 3HD PRO 32 -16.655 27.747 -0.784
253 H ALA 33 H ALA 33 -18.399 30.789 0.835
254 HA ALA 33 HA ALA 33 -19.640 33.412 0.323
255 1HB ALA 33 1HB ALA 33 -21.241 31.590 0.651
256 2HB ALA 33 2HB ALA 33 -20.532 31.252 2.231
257 3HB ALA 33 3HB ALA 33 -21.348 32.789 1.942
258 H ARG 34 H ARG 34 -18.719 35.050 1.350
259 HA ARG 34 HA ARG 34 -18.275 35.120 4.121
260 1HB ARG 34 2HB ARG 34 -15.796 35.267 4.137
261 2HB ARG 34 3HB ARG 34 -16.392 33.667 3.714
262 1HG ARG 34 2HG ARG 34 -16.073 34.331 1.296
263 2HG ARG 34 3HG ARG 34 -15.196 35.738 1.899
264 1HD ARG 34 2HD ARG 34 -14.431 33.051 2.919
265 2HD ARG 34 3HD ARG 34 -13.956 33.487 1.278
266 HE ARG 34 HE ARG 34 -12.860 34.506 3.719
267 1HH1 ARG 34 2HH1 ARG 34 -13.462 35.219 0.366
268 2HH1 ARG 34 1HH1 ARG 34 -12.173 36.372 0.245
269 1HH2 ARG 34 2HH2 ARG 34 -11.162 36.020 3.573
270 2HH2 ARG 34 1HH2 ARG 34 -10.865 36.825 2.069
271 H PHE 35 H PHE 35 -18.287 37.193 4.745
272 HA PHE 35 HA PHE 35 -18.153 39.243 2.689
273 1HB PHE 35 2HB PHE 35 -19.144 39.142 5.515
274 2HB PHE 35 3HB PHE 35 -18.794 40.700 4.772
275 HD1 PHE 35 1HD PHE 35 -20.847 37.644 4.468
276 HD2 PHE 35 2HD PHE 35 -20.281 41.678 3.235
277 HE1 PHE 35 1HE PHE 35 -23.062 37.624 3.398
278 HE2 PHE 35 2HE PHE 35 -22.496 41.665 2.164
279 HZ PHE 35 HZ PHE 35 -23.890 39.636 2.245
280 H SER 36 H SER 36 -16.728 38.720 5.914
281 HA SER 36 HA SER 36 -14.127 39.469 5.118
282 1HB SER 36 2HB SER 36 -15.901 41.615 6.173
283 2HB SER 36 3HB SER 36 -14.236 41.582 6.753
284 HG SER 36 HG SER 36 -13.595 41.567 4.518
285 HA PRO 37 HA PRO 37 -14.641 37.171 9.126
286 1HB PRO 37 2HB PRO 37 -13.002 35.121 8.434
287 2HB PRO 37 3HB PRO 37 -14.727 35.144 8.048
288 1HG PRO 37 2HG PRO 37 -12.387 35.824 6.309
289 2HG PRO 37 3HG PRO 37 -13.836 34.883 5.915
290 1HD PRO 37 2HD PRO 37 -13.541 37.475 5.190
291 2HD PRO 37 3HD PRO 37 -15.122 36.767 5.580
292 H ASP 38 H ASP 38 -11.665 37.427 7.176
293 HA ASP 38 HA ASP 38 -9.560 38.116 7.693
294 1HB ASP 38 2HB ASP 38 -10.849 40.092 8.609
295 2HB ASP 38 3HB ASP 38 -10.740 39.330 10.195
296 H ASP 39 H ASP 39 -10.960 35.676 8.987
297 HA ASP 39 HA ASP 39 -9.545 35.217 11.425
298 1HB ASP 39 2HB ASP 39 -10.487 33.004 11.361
299 2HB ASP 39 3HB ASP 39 -11.724 34.137 10.825
300 H LYS 40 H LYS 40 -8.817 34.822 8.085
301 HA LYS 40 HA LYS 40 -6.737 32.865 8.465
302 1HB LYS 40 2HB LYS 40 -7.219 34.626 6.059
303 2HB LYS 40 3HB LYS 40 -6.299 33.127 6.110
304 1HG LYS 40 2HG LYS 40 -8.196 32.241 5.308
305 2HG LYS 40 3HG LYS 40 -8.688 32.255 7.003
306 1HD LYS 40 2HD LYS 40 -10.079 34.064 6.726
307 2HD LYS 40 3HD LYS 40 -9.169 34.687 5.347
308 1HE LYS 40 2HE LYS 40 -10.677 32.102 5.171
309 2HE LYS 40 3HE LYS 40 -11.492 33.647 4.932
310 1HZ LYS 40 1HZ LYS 40 -9.673 34.101 3.238
311 2HZ LYS 40 2HZ LYS 40 -10.857 32.971 2.809
312 3HZ LYS 40 3HZ LYS 40 -9.330 32.445 3.314
313 H TYR 41 H TYR 41 -6.949 36.035 9.267
314 HA TYR 41 HA TYR 41 -4.668 37.288 8.351
315 1HB TYR 41 2HB TYR 41 -4.878 38.780 10.171
316 2HB TYR 41 3HB TYR 41 -6.516 38.229 9.841
317 HD1 TYR 41 1HD TYR 41 -4.364 38.989 12.400
318 HD2 TYR 41 2HD TYR 41 -7.036 35.901 11.204
319 HE1 TYR 41 1HE TYR 41 -4.593 38.286 14.747
320 HE2 TYR 41 2HE TYR 41 -7.273 35.190 13.548
321 HH TYR 41 HH TYR 41 -6.032 37.069 16.172
322 H SER 42 H SER 42 -4.986 34.766 10.733
323 HA SER 42 HA SER 42 -2.179 35.011 11.508
324 1HB SER 42 2HB SER 42 -4.237 34.517 13.090
325 2HB SER 42 3HB SER 42 -3.964 32.856 12.566
326 HG SER 42 HG SER 42 -2.794 33.704 14.517
327 H ARG 43 H ARG 43 -0.724 33.236 11.364
328 HA ARG 43 HA ARG 43 -1.092 31.688 8.948
329 1HB ARG 43 2HB ARG 43 1.209 32.057 10.857
330 2HB ARG 43 3HB ARG 43 1.263 30.878 9.553
331 1HG ARG 43 2HG ARG 43 0.649 33.763 9.026
332 2HG ARG 43 3HG ARG 43 2.308 33.173 9.147
333 1HD ARG 43 2HD ARG 43 0.268 31.959 7.299
334 2HD ARG 43 3HD ARG 43 1.324 33.286 6.818
335 HE ARG 43 HE ARG 43 2.052 30.521 7.161
336 1HH1 ARG 43 2HH1 ARG 43 3.195 33.808 7.061
337 2HH1 ARG 43 1HH1 ARG 43 4.817 33.369 6.640
338 1HH2 ARG 43 2HH2 ARG 43 4.184 29.931 6.606
339 2HH2 ARG 43 1HH2 ARG 43 5.379 31.163 6.381
340 H GLN 44 H GLN 44 -1.284 31.209 12.368
341 HA GLN 44 HA GLN 44 -0.801 28.507 12.651
342 1HB GLN 44 2HB GLN 44 -2.060 28.590 14.650
343 2HB GLN 44 3HB GLN 44 -1.373 30.197 14.458
344 1HG GLN 44 2HG GLN 44 -3.533 30.945 13.494
345 2HG GLN 44 3HG GLN 44 -4.198 29.355 13.863
346 1HE2 GLN 44 1HE2 GLN 44 -5.655 29.866 15.389
347 2HE2 GLN 44 2HE2 GLN 44 -5.274 30.612 16.899
348 H ARG 45 H ARG 45 -3.543 30.114 11.216
349 HA ARG 45 HA ARG 45 -5.470 28.139 11.265
350 1HB ARG 45 2HB ARG 45 -6.014 30.299 10.398
351 2HB ARG 45 3HB ARG 45 -4.807 30.160 9.125
352 1HG ARG 45 2HG ARG 45 -6.105 28.378 8.080
353 2HG ARG 45 3HG ARG 45 -7.312 28.506 9.362
354 1HD ARG 45 2HD ARG 45 -8.131 30.495 8.581
355 2HD ARG 45 3HD ARG 45 -6.596 30.965 7.852
356 HE ARG 45 HE ARG 45 -8.728 29.562 6.590
357 1HH1 ARG 45 2HH1 ARG 45 -5.263 29.893 6.668
358 2HH1 ARG 45 1HH1 ARG 45 -5.046 29.377 5.029
359 1HH2 ARG 45 2HH2 ARG 45 -8.455 28.881 4.430
360 2HH2 ARG 45 1HH2 ARG 45 -6.862 28.803 3.756
361 H VAL 46 H VAL 46 -2.564 28.335 9.346
362 HA VAL 46 HA VAL 46 -3.294 26.265 7.503
363 HB VAL 46 HB VAL 46 -0.572 27.401 8.160
364 1HG1 VAL 46 1HG1 VAL 46 -0.344 25.218 7.161
365 2HG1 VAL 46 2HG1 VAL 46 -1.483 25.645 5.883
366 3HG1 VAL 46 3HG1 VAL 46 0.086 26.447 5.973
367 1HG2 VAL 46 1HG2 VAL 46 -2.702 28.654 6.944
368 2HG2 VAL 46 2HG2 VAL 46 -1.005 29.109 6.786
369 3HG2 VAL 46 3HG2 VAL 46 -1.752 28.060 5.582
370 H THR 47 H THR 47 -1.360 26.440 10.459
371 HA THR 47 HA THR 47 -0.238 23.913 10.471
372 HB THR 47 HB THR 47 -1.310 24.997 13.041
373 HG1 THR 47 1HG THR 47 0.111 26.678 13.017
374 1HG2 THR 47 1HG2 THR 47 1.537 24.350 12.706
375 2HG2 THR 47 2HG2 THR 47 0.437 23.001 12.428
376 3HG2 THR 47 3HG2 THR 47 0.405 23.863 13.965
377 H LEU 48 H LEU 48 -1.178 21.999 10.254
378 HA LEU 48 HA LEU 48 -3.917 21.500 10.504
379 1HB LEU 48 2HB LEU 48 -1.984 20.154 9.364
380 2HB LEU 48 3HB LEU 48 -1.919 19.321 10.916
381 HG LEU 48 HG LEU 48 -4.539 19.529 9.508
382 1HD1 LEU 48 1HD1 LEU 48 -2.318 18.545 8.175
383 2HD1 LEU 48 2HD1 LEU 48 -4.008 18.220 7.794
384 3HD1 LEU 48 3HD1 LEU 48 -3.108 17.109 8.827
385 1HD2 LEU 48 1HD2 LEU 48 -3.250 17.360 11.159
386 2HD2 LEU 48 2HD2 LEU 48 -4.919 17.398 10.591
387 3HD2 LEU 48 3HD2 LEU 48 -4.363 18.582 11.774
388 H LYS 49 H LYS 49 -5.128 21.469 12.266
389 HA LYS 49 HA LYS 49 -4.105 21.453 14.892
390 1HB LYS 49 2HB LYS 49 -6.423 22.244 13.903
391 2HB LYS 49 3HB LYS 49 -6.920 20.615 14.341
392 1HG LYS 49 2HG LYS 49 -6.621 20.992 16.606
393 2HG LYS 49 3HG LYS 49 -5.544 22.365 16.336
394 1HD LYS 49 2HD LYS 49 -7.445 23.661 15.465
395 2HD LYS 49 3HD LYS 49 -8.512 22.292 15.789
396 1HE LYS 49 2HE LYS 49 -7.797 22.442 18.195
397 2HE LYS 49 3HE LYS 49 -6.984 23.952 17.785
398 1HZ LYS 49 1HZ LYS 49 -9.190 24.344 18.691
399 2HZ LYS 49 2HZ LYS 49 -9.887 23.415 17.462
400 3HZ LYS 49 3HZ LYS 49 -9.104 24.866 17.084
401 H LYS 50 H LYS 50 -3.299 19.812 16.003
402 HA LYS 50 HA LYS 50 -3.685 17.091 15.144
403 1HB LYS 50 2HB LYS 50 -2.110 18.381 17.359
404 2HB LYS 50 3HB LYS 50 -2.261 16.633 17.237
405 1HG LYS 50 2HG LYS 50 -1.229 18.344 14.992
406 2HG LYS 50 3HG LYS 50 -0.187 17.640 16.231
407 1HD LYS 50 2HD LYS 50 -0.665 15.450 15.545
408 2HD LYS 50 3HD LYS 50 -2.089 15.953 14.632
409 1HE LYS 50 2HE LYS 50 -0.502 15.548 12.979
410 2HE LYS 50 3HE LYS 50 -0.429 17.296 13.196
411 1HZ LYS 50 1HZ LYS 50 1.381 15.579 14.748
412 2HZ LYS 50 2HZ LYS 50 1.597 17.175 14.233
413 3HZ LYS 50 3HZ LYS 50 1.742 15.904 13.127
414 H ARG 51 H ARG 51 -5.013 19.201 17.548
415 HA ARG 51 HA ARG 51 -5.949 17.446 19.462
416 1HB ARG 51 2HB ARG 51 -6.136 19.925 19.560
417 2HB ARG 51 3HB ARG 51 -7.436 19.844 18.378
418 1HG ARG 51 2HG ARG 51 -8.476 20.057 20.474
419 2HG ARG 51 3HG ARG 51 -8.661 18.362 20.017
420 1HD ARG 51 2HD ARG 51 -6.298 19.166 21.644
421 2HD ARG 51 3HD ARG 51 -7.871 19.050 22.433
422 HE ARG 51 HE ARG 51 -7.383 16.722 20.915
423 1HH1 ARG 51 2HH1 ARG 51 -6.367 18.329 23.832
424 2HH1 ARG 51 1HH1 ARG 51 -5.929 16.861 24.643
425 1HH2 ARG 51 2HH2 ARG 51 -6.810 14.784 21.972
426 2HH2 ARG 51 1HH2 ARG 51 -6.181 14.845 23.583
427 H PHE 52 H PHE 52 -7.891 18.658 16.721
428 HA PHE 52 HA PHE 52 -10.015 16.888 17.023
429 1HB PHE 52 2HB PHE 52 -8.962 18.524 14.759
430 2HB PHE 52 3HB PHE 52 -10.192 17.313 14.412
431 HD1 PHE 52 1HD PHE 52 -12.411 17.464 15.510
432 HD2 PHE 52 2HD PHE 52 -9.504 20.555 15.835
433 HE1 PHE 52 1HE PHE 52 -14.164 19.030 16.239
434 HE2 PHE 52 2HE PHE 52 -11.251 22.126 16.566
435 HZ PHE 52 HZ PHE 52 -13.584 21.365 16.769
436 H GLY 53 H GLY 53 -9.724 14.746 17.196
437 1HA GLY 53 2HA GLY 53 -8.533 13.364 14.902
438 2HA GLY 53 3HA GLY 53 -7.884 13.018 16.499
439 H LEU 54 H LEU 54 -11.268 13.698 16.033
440 HA LEU 54 HA LEU 54 -11.900 11.004 16.953
441 1HB LEU 54 2HB LEU 54 -13.315 13.614 16.882
442 2HB LEU 54 3HB LEU 54 -14.294 12.149 16.844
443 HG LEU 54 HG LEU 54 -14.070 13.056 19.109
444 1HD1 LEU 54 1HD1 LEU 54 -12.565 10.463 18.832
445 2HD1 LEU 54 2HD1 LEU 54 -14.315 10.613 18.683
446 3HD1 LEU 54 3HD1 LEU 54 -13.524 11.006 20.208
447 1HD2 LEU 54 1HD2 LEU 54 -11.132 12.455 18.800
448 2HD2 LEU 54 2HD2 LEU 54 -11.937 13.037 20.257
449 3HD2 LEU 54 3HD2 LEU 54 -11.844 14.067 18.828
450 H VAL 55 H VAL 55 -13.391 9.646 15.895
451 HA VAL 55 HA VAL 55 -14.029 10.337 13.113
452 HB VAL 55 HB VAL 55 -13.538 7.880 12.562
453 1HG1 VAL 55 1HG1 VAL 55 -11.537 8.503 11.674
454 2HG1 VAL 55 2HG1 VAL 55 -12.135 10.098 12.136
455 3HG1 VAL 55 3HG1 VAL 55 -10.982 9.254 13.170
456 1HG2 VAL 55 1HG2 VAL 55 -11.551 7.993 14.779
457 2HG2 VAL 55 2HG2 VAL 55 -13.200 7.476 15.135
458 3HG2 VAL 55 3HG2 VAL 55 -12.236 6.595 13.950
459 HA PRO 56 HA PRO 56 -17.676 8.626 15.450
460 1HB PRO 56 2HB PRO 56 -19.389 10.590 14.694
461 2HB PRO 56 3HB PRO 56 -18.349 10.719 16.117
462 1HG PRO 56 2HG PRO 56 -17.960 11.861 13.378
463 2HG PRO 56 3HG PRO 56 -17.683 12.620 14.957
464 1HD PRO 56 2HD PRO 56 -15.673 11.597 13.460
465 2HD PRO 56 3HD PRO 56 -15.641 11.589 15.235
466 H GLY 57 H GLY 57 -17.033 9.649 12.191
467 1HA GLY 57 2HA GLY 57 -19.097 7.758 11.249
468 2HA GLY 57 3HA GLY 57 -18.851 9.311 10.465
469 H GLN 58 H GLN 58 -17.052 9.630 9.148
470 HA GLN 58 HA GLN 58 -15.439 7.232 8.591
471 1HB GLN 58 2HB GLN 58 -17.277 7.664 6.894
472 2HB GLN 58 3HB GLN 58 -16.412 9.133 6.460
473 1HG GLN 58 2HG GLN 58 -15.138 6.417 6.380
474 2HG GLN 58 3HG GLN 58 -16.005 7.109 5.011
475 1HE2 GLN 58 1HE2 GLN 58 -15.247 9.255 4.282
476 2HE2 GLN 58 2HE2 GLN 58 -13.550 9.574 4.328
Start of MODEL 5
1 1H HIS 2 H HIS 2 9.909 20.220 25.877
2 HA HIS 2 HA HIS 2 12.046 21.483 24.303
3 1HB HIS 2 2HB HIS 2 13.323 21.689 26.505
4 2HB HIS 2 3HB HIS 2 12.007 22.830 26.245
5 HD1 HIS 2 1HD HIS 2 10.025 22.726 27.840
6 HD2 HIS 2 2HD HIS 2 12.817 19.716 28.483
7 HE1 HIS 2 1HE HIS 2 9.378 21.664 30.026
8 H LEU 3 H LEU 3 10.838 18.770 24.371
9 HA LEU 3 HA LEU 3 13.027 17.147 25.427
10 1HB LEU 3 2HB LEU 3 10.602 16.070 24.042
11 2HB LEU 3 3HB LEU 3 11.620 15.297 25.254
12 HG LEU 3 HG LEU 3 10.610 17.356 26.692
13 1HD1 LEU 3 1HD1 LEU 3 8.037 16.898 25.961
14 2HD1 LEU 3 2HD1 LEU 3 8.838 16.945 24.392
15 3HD1 LEU 3 3HD1 LEU 3 8.975 18.315 25.494
16 1HD2 LEU 3 1HD2 LEU 3 9.224 15.734 27.756
17 2HD2 LEU 3 2HD2 LEU 3 10.687 14.909 27.217
18 3HD2 LEU 3 3HD2 LEU 3 9.186 14.729 26.307
19 H MET 4 H MET 4 14.296 15.805 24.164
20 HA MET 4 HA MET 4 14.377 16.521 21.324
21 1HB MET 4 2HB MET 4 16.395 15.496 23.278
22 2HB MET 4 3HB MET 4 16.637 15.192 21.564
23 1HG MET 4 2HG MET 4 17.756 17.145 21.717
24 2HG MET 4 3HG MET 4 16.144 17.795 21.430
25 1HE MET 4 1HE MET 4 17.626 16.333 25.016
26 2HE MET 4 2HE MET 4 18.844 16.857 23.852
27 3HE MET 4 3HE MET 4 18.549 17.808 25.308
28 H TYR 5 H TYR 5 12.477 14.585 22.539
29 HA TYR 5 HA TYR 5 12.707 12.551 20.549
30 1HB TYR 5 2HB TYR 5 13.017 10.631 21.928
31 2HB TYR 5 3HB TYR 5 14.298 11.762 22.347
32 HD1 TYR 5 1HD TYR 5 13.914 13.249 24.417
33 HD2 TYR 5 2HD TYR 5 11.642 9.748 23.590
34 HE1 TYR 5 1HE TYR 5 13.251 13.128 26.783
35 HE2 TYR 5 2HE TYR 5 10.971 9.618 25.954
36 HH TYR 5 HH TYR 5 12.432 10.960 28.355
37 H THR 6 H THR 6 10.741 11.786 20.041
38 HA THR 6 HA THR 6 8.456 12.827 21.452
39 HB THR 6 HB THR 6 7.138 11.608 19.702
40 HG1 THR 6 1HG THR 6 8.564 10.878 17.891
41 1HG2 THR 6 1HG2 THR 6 9.219 13.652 19.102
42 2HG2 THR 6 2HG2 THR 6 7.461 13.783 19.056
43 3HG2 THR 6 3HG2 THR 6 8.319 12.958 17.755
44 H LEU 7 H LEU 7 6.593 11.391 21.988
45 HA LEU 7 HA LEU 7 7.564 8.914 23.251
46 1HB LEU 7 2HB LEU 7 5.279 10.717 24.035
47 2HB LEU 7 3HB LEU 7 5.678 9.193 24.827
48 HG LEU 7 HG LEU 7 7.301 11.732 24.816
49 1HD1 LEU 7 1HD1 LEU 7 6.930 11.714 27.187
50 2HD1 LEU 7 2HD1 LEU 7 6.097 10.163 27.088
51 3HD1 LEU 7 3HD1 LEU 7 5.372 11.600 26.367
52 1HD2 LEU 7 1HD2 LEU 7 9.101 10.425 24.973
53 2HD2 LEU 7 2HD2 LEU 7 8.129 8.966 25.169
54 3HD2 LEU 7 3HD2 LEU 7 8.498 9.975 26.568
55 H GLY 8 H GLY 8 6.172 7.078 23.274
56 1HA GLY 8 2HA GLY 8 4.491 6.945 20.882
57 2HA GLY 8 3HA GLY 8 5.117 5.574 21.784
58 HA PRO 9 HA PRO 9 0.624 6.060 22.816
59 1HB PRO 9 2HB PRO 9 0.034 3.425 22.537
60 2HB PRO 9 3HB PRO 9 0.012 4.564 21.185
61 1HG PRO 9 2HG PRO 9 2.141 2.617 21.987
62 2HG PRO 9 3HG PRO 9 1.522 2.994 20.369
63 1HD PRO 9 2HD PRO 9 3.844 4.016 21.316
64 2HD PRO 9 3HD PRO 9 2.799 4.905 20.189
65 H ASP 10 H ASP 10 3.045 3.690 23.819
66 HA ASP 10 HA ASP 10 1.756 3.542 26.461
67 1HB ASP 10 2HB ASP 10 2.136 1.406 25.128
68 2HB ASP 10 3HB ASP 10 3.858 1.654 25.401
69 H GLY 11 H GLY 11 3.589 5.655 25.396
70 1HA GLY 11 2HA GLY 11 5.137 7.029 26.431
71 2HA GLY 11 3HA GLY 11 5.237 5.863 27.743
72 H LYS 12 H LYS 12 5.765 5.052 24.373
73 HA LYS 12 HA LYS 12 8.441 4.134 25.039
74 1HB LYS 12 2HB LYS 12 6.669 3.813 22.624
75 2HB LYS 12 3HB LYS 12 8.357 3.317 22.608
76 1HG LYS 12 2HG LYS 12 6.519 2.328 24.746
77 2HG LYS 12 3HG LYS 12 6.522 1.579 23.148
78 1HD LYS 12 2HD LYS 12 8.919 1.140 23.357
79 2HD LYS 12 3HD LYS 12 8.922 1.899 24.951
80 1HE LYS 12 2HE LYS 12 7.058 -0.366 24.388
81 2HE LYS 12 3HE LYS 12 8.755 -0.698 24.728
82 1HZ LYS 12 1HZ LYS 12 6.687 0.395 26.494
83 2HZ LYS 12 2HZ LYS 12 8.288 0.880 26.740
84 3HZ LYS 12 3HZ LYS 12 7.880 -0.760 26.818
85 H ARG 13 H ARG 13 10.042 5.565 24.954
86 HA ARG 13 HA ARG 13 9.979 8.021 23.621
87 1HB ARG 13 2HB ARG 13 12.496 7.963 23.944
88 2HB ARG 13 3HB ARG 13 11.524 7.779 25.397
89 1HG ARG 13 2HG ARG 13 12.073 5.207 24.255
90 2HG ARG 13 3HG ARG 13 13.572 6.110 24.482
91 1HD ARG 13 2HD ARG 13 13.325 5.061 26.525
92 2HD ARG 13 3HD ARG 13 12.595 6.637 26.827
93 HE ARG 13 HE ARG 13 10.550 5.616 27.064
94 1HH1 ARG 13 2HH1 ARG 13 12.829 3.368 25.694
95 2HH1 ARG 13 1HH1 ARG 13 11.779 2.000 25.863
96 1HH2 ARG 13 2HH2 ARG 13 9.159 3.822 27.291
97 2HH2 ARG 13 1HH2 ARG 13 9.692 2.259 26.771
98 H ILE 14 H ILE 14 10.889 8.751 21.703
99 HA ILE 14 HA ILE 14 12.041 6.797 19.869
100 HB ILE 14 HB ILE 14 9.613 8.444 19.153
101 1HG1 ILE 14 2HG1 ILE 14 9.961 5.443 19.319
102 2HG1 ILE 14 3HG1 ILE 14 9.137 6.428 20.522
103 1HG2 ILE 14 1HG2 ILE 14 9.757 7.304 16.975
104 2HG2 ILE 14 2HG2 ILE 14 11.156 8.327 17.294
105 3HG2 ILE 14 3HG2 ILE 14 11.284 6.578 17.476
106 1HD1 ILE 14 1HD1 ILE 14 7.268 6.071 19.397
107 2HD1 ILE 14 2HD1 ILE 14 7.924 7.076 18.104
108 3HD1 ILE 14 3HD1 ILE 14 8.147 5.327 18.061
109 H TYR 15 H TYR 15 13.951 7.790 19.581
110 HA TYR 15 HA TYR 15 14.430 10.539 19.617
111 1HB TYR 15 2HB TYR 15 16.042 8.519 18.054
112 2HB TYR 15 3HB TYR 15 16.605 10.039 18.739
113 HD1 TYR 15 1HD TYR 15 16.296 6.542 19.255
114 HD2 TYR 15 2HD TYR 15 16.487 10.257 21.319
115 HE1 TYR 15 1HE TYR 15 16.966 5.361 21.307
116 HE2 TYR 15 2HE TYR 15 17.157 9.088 23.375
117 HH TYR 15 HH TYR 15 18.172 5.867 23.410
118 H THR 16 H THR 16 13.367 11.914 18.333
119 HA THR 16 HA THR 16 13.745 11.688 15.458
120 HB THR 16 HB THR 16 11.580 10.528 15.932
121 HG1 THR 16 1HG THR 16 11.360 12.980 14.489
122 1HG2 THR 16 1HG2 THR 16 10.850 11.854 17.845
123 2HG2 THR 16 2HG2 THR 16 9.643 11.908 16.560
124 3HG2 THR 16 3HG2 THR 16 10.716 13.283 16.820
125 H LEU 17 H LEU 17 14.561 13.459 17.717
126 HA LEU 17 HA LEU 17 13.264 15.892 17.772
127 1HB LEU 17 2HB LEU 17 15.198 16.797 18.678
128 2HB LEU 17 3HB LEU 17 15.311 15.085 19.083
129 HG LEU 17 HG LEU 17 16.768 16.414 16.800
130 1HD1 LEU 17 1HD1 LEU 17 17.762 17.298 18.715
131 2HD1 LEU 17 2HD1 LEU 17 18.763 15.900 18.320
132 3HD1 LEU 17 3HD1 LEU 17 17.576 15.795 19.620
133 1HD2 LEU 17 1HD2 LEU 17 16.424 14.106 16.323
134 2HD2 LEU 17 2HD2 LEU 17 16.859 13.638 17.966
135 3HD2 LEU 17 3HD2 LEU 17 18.088 14.285 16.879
136 H LYS 18 H LYS 18 13.188 17.685 16.507
137 HA LYS 18 HA LYS 18 13.536 17.463 13.750
138 1HB LYS 18 2HB LYS 18 13.386 19.950 15.463
139 2HB LYS 18 3HB LYS 18 13.234 19.933 13.712
140 1HG LYS 18 2HG LYS 18 11.332 18.172 14.271
141 2HG LYS 18 3HG LYS 18 11.316 19.061 15.795
142 1HD LYS 18 2HD LYS 18 11.263 20.536 13.190
143 2HD LYS 18 3HD LYS 18 9.781 19.831 13.842
144 1HE LYS 18 2HE LYS 18 11.490 21.507 15.618
145 2HE LYS 18 3HE LYS 18 10.478 22.301 14.413
146 1HZ LYS 18 1HZ LYS 18 9.664 20.674 16.729
147 2HZ LYS 18 2HZ LYS 18 8.633 20.823 15.397
148 3HZ LYS 18 3HZ LYS 18 9.113 22.201 16.253
149 H LYS 19 H LYS 19 15.717 18.589 16.246
150 HA LYS 19 HA LYS 19 17.609 19.892 14.645
151 1HB LYS 19 2HB LYS 19 17.417 19.776 17.219
152 2HB LYS 19 3HB LYS 19 18.349 18.291 17.082
153 1HG LYS 19 2HG LYS 19 19.907 19.983 17.541
154 2HG LYS 19 3HG LYS 19 20.069 19.647 15.815
155 1HD LYS 19 2HD LYS 19 19.011 21.630 15.206
156 2HD LYS 19 3HD LYS 19 18.251 21.823 16.788
157 1HE LYS 19 2HE LYS 19 21.228 21.971 16.360
158 2HE LYS 19 3HE LYS 19 20.174 23.382 16.278
159 1HZ LYS 19 1HZ LYS 19 19.973 23.451 18.489
160 2HZ LYS 19 2HZ LYS 19 21.351 22.471 18.519
161 3HZ LYS 19 3HZ LYS 19 19.815 21.774 18.645
162 H VAL 20 H VAL 20 19.280 19.214 13.413
163 HA VAL 20 HA VAL 20 19.800 16.317 13.287
164 HB VAL 20 HB VAL 20 18.480 17.100 11.326
165 1HG1 VAL 20 1HG1 VAL 20 20.945 18.598 10.483
166 2HG1 VAL 20 2HG1 VAL 20 19.342 18.619 9.748
167 3HG1 VAL 20 3HG1 VAL 20 19.604 19.381 11.318
168 1HG2 VAL 20 1HG2 VAL 20 21.014 15.686 11.291
169 2HG2 VAL 20 2HG2 VAL 20 19.492 15.295 10.490
170 3HG2 VAL 20 3HG2 VAL 20 20.631 16.405 9.728
171 H THR 21 H THR 21 21.889 15.704 13.294
172 HA THR 21 HA THR 21 23.901 17.453 14.117
173 HB THR 21 HB THR 21 24.095 15.080 14.540
174 HG1 THR 21 1HG THR 21 26.049 16.350 14.237
175 1HG2 THR 21 1HG2 THR 21 24.488 14.723 11.566
176 2HG2 THR 21 2HG2 THR 21 23.010 14.318 12.439
177 3HG2 THR 21 3HG2 THR 21 24.508 13.460 12.795
178 H GLU 22 H GLU 22 23.024 16.313 10.898
179 HA GLU 22 HA GLU 22 25.267 17.282 9.513
180 1HB GLU 22 2HB GLU 22 22.423 16.870 8.578
181 2HB GLU 22 3HB GLU 22 23.776 17.214 7.509
182 1HG GLU 22 2HG GLU 22 23.725 14.848 9.356
183 2HG GLU 22 3HG GLU 22 23.088 14.799 7.713
184 H SER 23 H SER 23 25.523 19.156 8.221
185 HA SER 23 HA SER 23 24.530 21.537 9.466
186 1HB SER 23 2HB SER 23 26.143 21.275 6.918
187 2HB SER 23 3HB SER 23 25.953 22.728 7.899
188 HG SER 23 HG SER 23 27.204 20.308 8.698
189 H GLY 24 H GLY 24 23.993 19.893 6.380
190 1HA GLY 24 2HA GLY 24 21.556 20.099 5.697
191 2HA GLY 24 3HA GLY 24 21.841 21.830 5.801
192 H GLU 25 H GLU 25 23.808 22.568 4.456
193 HA GLU 25 HA GLU 25 23.252 22.125 1.762
194 1HB GLU 25 2HB GLU 25 24.382 24.131 2.435
195 2HB GLU 25 3HB GLU 25 25.724 23.217 3.109
196 1HG GLU 25 2HG GLU 25 26.536 22.633 0.990
197 2HG GLU 25 3HG GLU 25 25.035 23.099 0.194
198 H ILE 26 H ILE 26 23.577 20.383 0.563
199 HA ILE 26 HA ILE 26 25.543 18.396 1.373
200 HB ILE 26 HB ILE 26 23.275 17.668 0.723
201 1HG1 ILE 26 2HG1 ILE 26 25.344 16.691 -1.252
202 2HG1 ILE 26 3HG1 ILE 26 25.320 16.219 0.443
203 1HG2 ILE 26 1HG2 ILE 26 23.396 19.518 -1.224
204 2HG2 ILE 26 2HG2 ILE 26 23.797 18.072 -2.150
205 3HG2 ILE 26 3HG2 ILE 26 22.284 18.150 -1.247
206 1HD1 ILE 26 1HD1 ILE 26 22.745 15.815 -0.783
207 2HD1 ILE 26 2HD1 ILE 26 24.021 14.971 -1.662
208 3HD1 ILE 26 3HD1 ILE 26 23.789 14.669 0.059
209 H THR 27 H THR 27 24.974 20.714 -1.187
210 HA THR 27 HA THR 27 27.689 20.221 -2.173
211 HB THR 27 HB THR 27 26.419 19.004 -3.769
212 HG1 THR 27 1HG THR 27 27.949 20.428 -4.709
213 1HG2 THR 27 1HG2 THR 27 24.468 21.183 -3.384
214 2HG2 THR 27 2HG2 THR 27 24.207 19.470 -3.712
215 3HG2 THR 27 3HG2 THR 27 24.611 20.570 -5.030
216 H LYS 28 H LYS 28 28.805 22.042 -2.513
217 HA LYS 28 HA LYS 28 27.374 24.587 -2.272
218 1HB LYS 28 2HB LYS 28 29.447 23.852 -0.847
219 2HB LYS 28 3HB LYS 28 30.361 24.344 -2.267
220 1HG LYS 28 2HG LYS 28 28.995 26.546 -2.057
221 2HG LYS 28 3HG LYS 28 28.729 26.003 -0.399
222 1HD LYS 28 2HD LYS 28 31.474 26.145 -1.618
223 2HD LYS 28 3HD LYS 28 30.729 27.528 -0.817
224 1HE LYS 28 2HE LYS 28 30.954 24.853 0.527
225 2HE LYS 28 3HE LYS 28 32.269 26.026 0.573
226 1HZ LYS 28 1HZ LYS 28 30.830 26.192 2.516
227 2HZ LYS 28 2HZ LYS 28 29.499 26.518 1.525
228 3HZ LYS 28 3HZ LYS 28 30.785 27.615 1.603
229 H SER 29 H SER 29 27.090 25.879 -3.965
230 HA SER 29 HA SER 29 28.555 25.271 -6.439
231 1HB SER 29 2HB SER 29 26.164 27.064 -6.407
232 2HB SER 29 3HB SER 29 26.710 25.944 -7.655
233 HG SER 29 HG SER 29 24.889 25.534 -5.777
234 H ALA 30 H ALA 30 29.545 26.911 -4.176
235 HA ALA 30 HA ALA 30 29.702 29.561 -5.430
236 1HB ALA 30 1HB ALA 30 31.021 29.303 -2.857
237 2HB ALA 30 2HB ALA 30 29.768 30.429 -3.379
238 3HB ALA 30 3HB ALA 30 29.325 28.823 -2.797
239 H HIS 31 H HIS 31 31.707 30.567 -5.804
240 HA HIS 31 HA HIS 31 33.883 30.696 -6.454
241 1HB HIS 31 2HB HIS 31 34.418 28.262 -4.753
242 2HB HIS 31 3HB HIS 31 35.543 29.544 -5.195
243 HD1 HIS 31 1HD HIS 31 34.223 28.458 -2.287
244 HD2 HIS 31 2HD HIS 31 33.925 32.147 -4.175
245 HE1 HIS 31 1HE HIS 31 33.654 30.100 -0.469
246 HA PRO 32 HA PRO 32 34.306 27.987 -9.881
247 1HB PRO 32 2HB PRO 32 36.957 28.227 -10.414
248 2HB PRO 32 3HB PRO 32 35.790 29.512 -10.748
249 1HG PRO 32 2HG PRO 32 37.660 29.207 -8.430
250 2HG PRO 32 3HG PRO 32 37.273 30.659 -9.371
251 1HD PRO 32 2HD PRO 32 36.173 30.159 -6.948
252 2HD PRO 32 3HD PRO 32 35.305 31.029 -8.230
253 H ALA 33 H ALA 33 36.032 26.264 -10.725
254 HA ALA 33 HA ALA 33 35.843 24.036 -9.069
255 1HB ALA 33 1HB ALA 33 38.059 23.639 -10.777
256 2HB ALA 33 2HB ALA 33 36.403 23.068 -10.984
257 3HB ALA 33 3HB ALA 33 36.887 24.626 -11.652
258 H ARG 34 H ARG 34 37.279 22.958 -7.733
259 HA ARG 34 HA ARG 34 38.917 24.453 -6.075
260 1HB ARG 34 2HB ARG 34 37.974 22.154 -5.629
261 2HB ARG 34 3HB ARG 34 39.269 21.506 -6.626
262 1HG ARG 34 2HG ARG 34 40.883 21.957 -5.071
263 2HG ARG 34 3HG ARG 34 39.979 23.297 -4.362
264 1HD ARG 34 2HD ARG 34 38.671 21.909 -3.072
265 2HD ARG 34 3HD ARG 34 38.889 20.530 -4.149
266 HE ARG 34 HE ARG 34 40.487 21.198 -1.899
267 1HH1 ARG 34 2HH1 ARG 34 40.644 19.843 -5.102
268 2HH1 ARG 34 1HH1 ARG 34 42.048 18.885 -4.770
269 1HH2 ARG 34 2HH2 ARG 34 42.336 19.939 -1.449
270 2HH2 ARG 34 1HH2 ARG 34 43.008 18.939 -2.691
271 H PHE 35 H PHE 35 40.672 25.556 -6.636
272 HA PHE 35 HA PHE 35 42.219 25.160 -8.913
273 1HB PHE 35 2HB PHE 35 43.947 26.556 -7.679
274 2HB PHE 35 3HB PHE 35 42.345 27.271 -7.834
275 HD1 PHE 35 1HD PHE 35 44.378 25.225 -5.478
276 HD2 PHE 35 2HD PHE 35 41.319 28.145 -5.967
277 HE1 PHE 35 1HE PHE 35 44.284 25.532 -3.038
278 HE2 PHE 35 2HE PHE 35 41.221 28.456 -3.528
279 HZ PHE 35 HZ PHE 35 42.705 27.149 -2.060
280 H SER 36 H SER 36 44.551 24.594 -8.987
281 HA SER 36 HA SER 36 44.943 21.998 -7.807
282 1HB SER 36 2HB SER 36 46.330 23.651 -9.861
283 2HB SER 36 3HB SER 36 47.274 22.405 -9.046
284 HG SER 36 HG SER 36 45.722 20.884 -9.711
285 HA PRO 37 HA PRO 37 47.493 23.006 -4.384
286 1HB PRO 37 2HB PRO 37 49.373 21.049 -4.455
287 2HB PRO 37 3HB PRO 37 47.695 20.752 -3.990
288 1HG PRO 37 2HG PRO 37 49.044 20.280 -6.620
289 2HG PRO 37 3HG PRO 37 47.903 19.241 -5.746
290 1HD PRO 37 2HD PRO 37 47.150 20.805 -7.823
291 2HD PRO 37 3HD PRO 37 46.068 20.436 -6.466
292 H ASP 38 H ASP 38 49.034 22.658 -7.503
293 HA ASP 38 HA ASP 38 51.415 24.081 -6.577
294 1HB ASP 38 2HB ASP 38 51.481 21.999 -8.092
295 2HB ASP 38 3HB ASP 38 50.947 23.080 -9.377
296 H ASP 39 H ASP 39 48.533 25.102 -7.229
297 HA ASP 39 HA ASP 39 49.077 27.056 -9.299
298 1HB ASP 39 2HB ASP 39 46.826 25.879 -8.867
299 2HB ASP 39 3HB ASP 39 46.641 27.012 -7.530
300 H LYS 40 H LYS 40 49.215 26.846 -5.868
301 HA LYS 40 HA LYS 40 48.871 29.546 -5.173
302 1HB LYS 40 2HB LYS 40 48.982 27.507 -3.634
303 2HB LYS 40 3HB LYS 40 50.731 27.643 -3.758
304 1HG LYS 40 2HG LYS 40 49.294 30.108 -3.023
305 2HG LYS 40 3HG LYS 40 49.277 28.808 -1.829
306 1HD LYS 40 2HD LYS 40 51.871 29.480 -3.113
307 2HD LYS 40 3HD LYS 40 51.223 30.614 -1.925
308 1HE LYS 40 2HE LYS 40 50.937 28.602 -0.396
309 2HE LYS 40 3HE LYS 40 51.936 27.717 -1.546
310 1HZ LYS 40 1HZ LYS 40 53.787 28.794 -0.903
311 2HZ LYS 40 2HZ LYS 40 52.920 29.055 0.527
312 3HZ LYS 40 3HZ LYS 40 52.994 30.268 -0.650
313 H TYR 41 H TYR 41 51.396 27.964 -6.833
314 HA TYR 41 HA TYR 41 53.666 29.365 -6.130
315 1HB TYR 41 2HB TYR 41 54.611 28.635 -8.135
316 2HB TYR 41 3HB TYR 41 53.341 27.451 -7.848
317 HD1 TYR 41 1HD TYR 41 50.989 28.138 -8.928
318 HD2 TYR 41 2HD TYR 41 54.792 29.498 -10.265
319 HE1 TYR 41 1HE TYR 41 50.033 28.620 -11.142
320 HE2 TYR 41 2HE TYR 41 53.846 29.984 -12.482
321 HH TYR 41 HH TYR 41 51.708 28.986 -13.829
322 H SER 42 H SER 42 50.926 30.414 -8.015
323 HA SER 42 HA SER 42 52.272 32.954 -8.617
324 1HB SER 42 2HB SER 42 50.605 33.316 -10.311
325 2HB SER 42 3HB SER 42 51.193 31.663 -10.492
326 HG SER 42 HG SER 42 48.766 32.527 -9.314
327 H ARG 43 H ARG 43 49.664 31.520 -6.826
328 HA ARG 43 HA ARG 43 48.022 33.678 -6.313
329 1HB ARG 43 2HB ARG 43 47.538 31.389 -5.568
330 2HB ARG 43 3HB ARG 43 48.835 31.495 -4.386
331 1HG ARG 43 2HG ARG 43 47.448 33.608 -3.598
332 2HG ARG 43 3HG ARG 43 46.132 32.709 -4.355
333 1HD ARG 43 2HD ARG 43 48.004 31.478 -2.347
334 2HD ARG 43 3HD ARG 43 46.512 32.296 -1.883
335 HE ARG 43 HE ARG 43 45.791 30.449 -3.793
336 1HH1 ARG 43 2HH1 ARG 43 47.313 30.389 -0.662
337 2HH1 ARG 43 1HH1 ARG 43 46.715 28.815 -0.257
338 1HH2 ARG 43 2HH2 ARG 43 44.997 28.375 -3.270
339 2HH2 ARG 43 1HH2 ARG 43 45.398 27.669 -1.741
340 H GLN 44 H GLN 44 50.402 32.556 -3.914
341 HA GLN 44 HA GLN 44 50.453 34.848 -2.381
342 1HB GLN 44 2HB GLN 44 52.421 34.014 -1.372
343 2HB GLN 44 3HB GLN 44 51.510 32.596 -1.872
344 1HG GLN 44 2HG GLN 44 52.950 32.643 -3.983
345 2HG GLN 44 3HG GLN 44 53.985 33.757 -3.093
346 1HE2 GLN 44 1HE2 GLN 44 54.189 30.873 -4.081
347 2HE2 GLN 44 2HE2 GLN 44 54.798 30.018 -2.708
348 H ARG 45 H ARG 45 52.075 34.180 -5.394
349 HA ARG 45 HA ARG 45 54.076 36.088 -5.399
350 1HB ARG 45 2HB ARG 45 53.256 34.302 -7.199
351 2HB ARG 45 3HB ARG 45 52.495 35.728 -7.896
352 1HG ARG 45 2HG ARG 45 54.479 35.823 -8.981
353 2HG ARG 45 3HG ARG 45 54.925 36.731 -7.534
354 1HD ARG 45 2HD ARG 45 56.667 35.200 -7.803
355 2HD ARG 45 3HD ARG 45 55.641 34.468 -6.570
356 HE ARG 45 HE ARG 45 54.800 33.490 -9.031
357 1HH1 ARG 45 2HH1 ARG 45 57.641 33.387 -7.021
358 2HH1 ARG 45 1HH1 ARG 45 58.148 31.832 -7.592
359 1HH2 ARG 45 2HH2 ARG 45 55.457 31.442 -9.791
360 2HH2 ARG 45 1HH2 ARG 45 56.905 30.727 -9.168
361 H VAL 46 H VAL 46 50.739 36.483 -6.594
362 HA VAL 46 HA VAL 46 51.059 39.313 -6.957
363 HB VAL 46 HB VAL 46 48.611 39.297 -7.408
364 1HG1 VAL 46 1HG1 VAL 46 50.447 37.415 -8.850
365 2HG1 VAL 46 2HG1 VAL 46 48.795 37.693 -9.406
366 3HG1 VAL 46 3HG1 VAL 46 49.934 39.037 -9.313
367 1HG2 VAL 46 1HG2 VAL 46 48.055 37.446 -5.864
368 2HG2 VAL 46 2HG2 VAL 46 47.398 37.210 -7.484
369 3HG2 VAL 46 3HG2 VAL 46 48.834 36.320 -6.977
370 H THR 47 H THR 47 49.864 37.213 -4.443
371 HA THR 47 HA THR 47 48.341 39.044 -2.970
372 HB THR 47 HB THR 47 49.996 36.879 -1.686
373 HG1 THR 47 1HG THR 47 47.985 35.601 -2.200
374 1HG2 THR 47 1HG2 THR 47 47.934 36.684 -0.276
375 2HG2 THR 47 2HG2 THR 47 47.304 38.110 -1.100
376 3HG2 THR 47 3HG2 THR 47 48.771 38.230 -0.129
377 H LEU 48 H LEU 48 48.904 40.825 -1.916
378 HA LEU 48 HA LEU 48 51.532 41.772 -1.739
379 1HB LEU 48 2HB LEU 48 48.913 42.563 -0.591
380 2HB LEU 48 3HB LEU 48 50.365 43.250 0.135
381 HG LEU 48 HG LEU 48 49.401 44.760 -1.514
382 1HD1 LEU 48 1HD1 LEU 48 51.384 45.330 -2.593
383 2HD1 LEU 48 2HD1 LEU 48 51.904 43.652 -2.735
384 3HD1 LEU 48 3HD1 LEU 48 51.924 44.451 -1.162
385 1HD2 LEU 48 1HD2 LEU 48 48.340 43.044 -2.928
386 2HD2 LEU 48 2HD2 LEU 48 49.932 42.570 -3.521
387 3HD2 LEU 48 3HD2 LEU 48 49.308 44.184 -3.863
388 H LYS 49 H LYS 49 53.135 41.368 -0.368
389 HA LYS 49 HA LYS 49 52.631 39.645 1.924
390 1HB LYS 49 2HB LYS 49 55.108 39.520 2.061
391 2HB LYS 49 3HB LYS 49 54.477 39.023 0.496
392 1HG LYS 49 2HG LYS 49 55.209 41.863 0.723
393 2HG LYS 49 3HG LYS 49 56.545 40.713 0.824
394 1HD LYS 49 2HD LYS 49 56.282 40.013 -1.331
395 2HD LYS 49 3HD LYS 49 54.541 40.305 -1.329
396 1HE LYS 49 2HE LYS 49 56.549 42.542 -1.268
397 2HE LYS 49 3HE LYS 49 55.977 41.833 -2.777
398 1HZ LYS 49 1HZ LYS 49 54.319 43.171 -0.712
399 2HZ LYS 49 2HZ LYS 49 53.696 42.384 -2.073
400 3HZ LYS 49 3HZ LYS 49 54.670 43.754 -2.261
401 H LYS 50 H LYS 50 53.376 42.946 1.203
402 HA LYS 50 HA LYS 50 53.757 44.782 2.495
403 1HB LYS 50 2HB LYS 50 51.940 43.093 4.177
404 2HB LYS 50 3HB LYS 50 52.567 44.606 4.818
405 1HG LYS 50 2HG LYS 50 51.096 44.410 2.203
406 2HG LYS 50 3HG LYS 50 50.303 44.734 3.747
407 1HD LYS 50 2HD LYS 50 52.611 46.402 2.798
408 2HD LYS 50 3HD LYS 50 50.960 46.736 2.270
409 1HE LYS 50 2HE LYS 50 51.793 46.535 5.159
410 2HE LYS 50 3HE LYS 50 51.724 48.052 4.263
411 1HZ LYS 50 1HZ LYS 50 49.304 47.126 3.764
412 2HZ LYS 50 2HZ LYS 50 49.652 48.070 5.123
413 3HZ LYS 50 3HZ LYS 50 49.555 46.387 5.266
414 H ARG 51 H ARG 51 55.736 42.628 2.598
415 HA ARG 51 HA ARG 51 57.595 41.988 3.753
416 1HB ARG 51 2HB ARG 51 57.706 44.602 3.578
417 2HB ARG 51 3HB ARG 51 57.442 44.538 5.315
418 1HG ARG 51 2HG ARG 51 59.427 43.008 5.457
419 2HG ARG 51 3HG ARG 51 59.735 43.376 3.759
420 1HD ARG 51 2HD ARG 51 59.552 45.421 5.970
421 2HD ARG 51 3HD ARG 51 61.057 44.775 5.315
422 HE ARG 51 HE ARG 51 59.628 45.767 3.166
423 1HH1 ARG 51 2HH1 ARG 51 61.011 47.001 6.113
424 2HH1 ARG 51 1HH1 ARG 51 61.305 48.582 5.468
425 1HH2 ARG 51 2HH2 ARG 51 60.010 47.845 2.305
426 2HH2 ARG 51 1HH2 ARG 51 60.734 49.061 3.302
427 H PHE 52 H PHE 52 55.044 41.224 4.889
428 HA PHE 52 HA PHE 52 54.969 41.559 7.679
429 1HB PHE 52 2HB PHE 52 53.707 39.724 5.718
430 2HB PHE 52 3HB PHE 52 53.730 39.189 7.395
431 HD1 PHE 52 1HD PHE 52 53.324 42.600 5.967
432 HD2 PHE 52 2HD PHE 52 51.564 39.409 8.165
433 HE1 PHE 52 1HE PHE 52 51.364 44.010 6.438
434 HE2 PHE 52 2HE PHE 52 49.601 40.814 8.640
435 HZ PHE 52 HZ PHE 52 49.499 43.118 7.776
436 H GLY 53 H GLY 53 56.885 39.520 5.649
437 1HA GLY 53 2HA GLY 53 57.575 37.613 7.685
438 2HA GLY 53 3HA GLY 53 58.344 37.788 6.115
439 H LEU 54 H LEU 54 58.031 39.680 9.124
440 HA LEU 54 HA LEU 54 60.845 40.459 8.830
441 1HB LEU 54 2HB LEU 54 60.291 42.178 10.548
442 2HB LEU 54 3HB LEU 54 59.412 42.342 9.028
443 HG LEU 54 HG LEU 54 57.788 40.800 10.745
444 1HD1 LEU 54 1HD1 LEU 54 59.471 42.119 12.388
445 2HD1 LEU 54 2HD1 LEU 54 57.798 41.734 12.792
446 3HD1 LEU 54 3HD1 LEU 54 58.210 43.335 12.178
447 1HD2 LEU 54 1HD2 LEU 54 56.207 42.310 10.135
448 2HD2 LEU 54 2HD2 LEU 54 57.425 42.703 8.921
449 3HD2 LEU 54 3HD2 LEU 54 57.275 43.694 10.372
450 H VAL 55 H VAL 55 59.862 37.850 9.851
451 HA VAL 55 HA VAL 55 60.259 36.375 11.544
452 HB VAL 55 HB VAL 55 62.530 38.233 12.252
453 1HG1 VAL 55 1HG1 VAL 55 63.571 36.370 13.242
454 2HG1 VAL 55 2HG1 VAL 55 61.897 36.311 13.797
455 3HG1 VAL 55 3HG1 VAL 55 62.436 35.240 12.504
456 1HG2 VAL 55 1HG2 VAL 55 62.104 36.470 9.928
457 2HG2 VAL 55 2HG2 VAL 55 63.121 37.901 10.096
458 3HG2 VAL 55 3HG2 VAL 55 63.678 36.345 10.713
459 HA PRO 56 HA PRO 56 58.220 39.187 14.665
460 1HB PRO 56 2HB PRO 56 55.910 37.768 14.811
461 2HB PRO 56 3HB PRO 56 56.175 39.050 13.625
462 1HG PRO 56 2HG PRO 56 56.397 36.084 13.289
463 2HG PRO 56 3HG PRO 56 55.670 37.281 12.203
464 1HD PRO 56 2HD PRO 56 58.144 36.261 11.796
465 2HD PRO 56 3HD PRO 56 57.707 37.918 11.333
466 H GLY 57 H GLY 57 58.682 35.732 14.351
467 1HA GLY 57 2HA GLY 57 59.922 35.133 16.630
468 2HA GLY 57 3HA GLY 57 58.266 35.281 17.200
469 H GLN 58 H GLN 58 60.522 33.364 15.401
470 HA GLN 58 HA GLN 58 58.745 31.521 14.243
471 1HB GLN 58 2HB GLN 58 60.664 30.067 13.992
472 2HB GLN 58 3HB GLN 58 61.133 31.723 13.631
473 1HG GLN 58 2HG GLN 58 62.890 31.108 14.924
474 2HG GLN 58 3HG GLN 58 61.812 31.721 16.176
475 1HE2 GLN 58 1HE2 GLN 58 62.140 30.497 17.897
476 2HE2 GLN 58 2HE2 GLN 58 62.130 28.770 17.926
Start of MODEL 6
1 1H HIS 2 H HIS 2 10.880 22.044 24.807
2 HA HIS 2 HA HIS 2 9.081 20.396 23.618
3 1HB HIS 2 2HB HIS 2 10.905 21.417 21.440
4 2HB HIS 2 3HB HIS 2 9.541 20.314 21.276
5 HD1 HIS 2 1HD HIS 2 10.300 23.952 21.936
6 HD2 HIS 2 2HD HIS 2 7.102 21.519 20.879
7 HE1 HIS 2 1HE HIS 2 8.435 25.522 21.321
8 H LEU 3 H LEU 3 9.815 18.365 23.809
9 HA LEU 3 HA LEU 3 12.463 17.906 24.752
10 1HB LEU 3 2HB LEU 3 10.657 15.727 23.787
11 2HB LEU 3 3HB LEU 3 11.812 15.706 25.117
12 HG LEU 3 HG LEU 3 9.120 17.067 25.088
13 1HD1 LEU 3 1HD1 LEU 3 8.308 15.214 25.995
14 2HD1 LEU 3 2HD1 LEU 3 9.596 15.178 27.200
15 3HD1 LEU 3 3HD1 LEU 3 9.840 14.421 25.625
16 1HD2 LEU 3 1HD2 LEU 3 11.275 17.012 27.195
17 2HD2 LEU 3 2HD2 LEU 3 9.617 17.548 27.472
18 3HD2 LEU 3 3HD2 LEU 3 10.653 18.427 26.345
19 H MET 4 H MET 4 13.752 16.004 23.774
20 HA MET 4 HA MET 4 14.053 16.547 20.901
21 1HB MET 4 2HB MET 4 16.355 15.712 21.166
22 2HB MET 4 3HB MET 4 16.023 17.075 22.228
23 1HG MET 4 2HG MET 4 15.925 15.709 24.131
24 2HG MET 4 3HG MET 4 15.797 14.238 23.169
25 1HE MET 4 1HE MET 4 17.757 17.381 23.359
26 2HE MET 4 2HE MET 4 19.398 16.908 23.801
27 3HE MET 4 3HE MET 4 18.901 16.896 22.108
28 H TYR 5 H TYR 5 12.209 14.592 22.289
29 HA TYR 5 HA TYR 5 12.611 12.428 20.453
30 1HB TYR 5 2HB TYR 5 12.804 10.644 22.117
31 2HB TYR 5 3HB TYR 5 14.163 11.756 22.236
32 HD1 TYR 5 1HD TYR 5 14.128 13.506 24.074
33 HD2 TYR 5 2HD TYR 5 11.433 10.214 23.977
34 HE1 TYR 5 1HE TYR 5 13.666 13.821 26.469
35 HE2 TYR 5 2HE TYR 5 10.962 10.522 26.372
36 HH TYR 5 HH TYR 5 11.695 11.543 28.276
37 H THR 6 H THR 6 10.666 11.801 19.806
38 HA THR 6 HA THR 6 8.311 12.671 21.222
39 HB THR 6 HB THR 6 7.053 11.719 19.349
40 HG1 THR 6 1HG THR 6 7.950 10.108 18.322
41 1HG2 THR 6 1HG2 THR 6 9.468 13.365 18.608
42 2HG2 THR 6 2HG2 THR 6 7.844 13.938 18.992
43 3HG2 THR 6 3HG2 THR 6 8.136 13.047 17.498
44 H LEU 7 H LEU 7 6.849 11.441 22.315
45 HA LEU 7 HA LEU 7 7.708 8.737 23.018
46 1HB LEU 7 2HB LEU 7 5.631 10.547 24.240
47 2HB LEU 7 3HB LEU 7 6.026 8.932 24.825
48 HG LEU 7 HG LEU 7 7.796 11.372 24.861
49 1HD1 LEU 7 1HD1 LEU 7 7.197 11.624 26.989
50 2HD1 LEU 7 2HD1 LEU 7 7.374 9.902 27.326
51 3HD1 LEU 7 3HD1 LEU 7 5.869 10.515 26.642
52 1HD2 LEU 7 1HD2 LEU 7 9.516 9.963 24.724
53 2HD2 LEU 7 2HD2 LEU 7 8.471 8.549 24.864
54 3HD2 LEU 7 3HD2 LEU 7 9.035 9.378 26.317
55 H GLY 8 H GLY 8 6.038 7.045 23.256
56 1HA GLY 8 2HA GLY 8 4.153 7.196 21.001
57 2HA GLY 8 3HA GLY 8 4.800 5.714 21.689
58 HA PRO 9 HA PRO 9 0.499 6.387 23.326
59 1HB PRO 9 2HB PRO 9 -0.369 3.875 22.772
60 2HB PRO 9 3HB PRO 9 -0.448 5.199 21.603
61 1HG PRO 9 2HG PRO 9 1.567 2.997 21.839
62 2HG PRO 9 3HG PRO 9 0.793 3.655 20.386
63 1HD PRO 9 2HD PRO 9 3.301 4.344 21.140
64 2HD PRO 9 3HD PRO 9 2.215 5.467 20.297
65 H ASP 10 H ASP 10 2.938 3.909 23.737
66 HA ASP 10 HA ASP 10 1.867 3.302 26.410
67 1HB ASP 10 2HB ASP 10 3.423 1.290 26.251
68 2HB ASP 10 3HB ASP 10 2.025 1.285 25.179
69 H GLY 11 H GLY 11 3.563 5.620 25.552
70 1HA GLY 11 2HA GLY 11 5.196 6.870 26.593
71 2HA GLY 11 3HA GLY 11 5.328 5.597 27.797
72 H LYS 12 H LYS 12 5.734 5.020 24.371
73 HA LYS 12 HA LYS 12 8.408 4.023 24.859
74 1HB LYS 12 2HB LYS 12 6.343 3.647 22.851
75 2HB LYS 12 3HB LYS 12 7.920 3.901 22.116
76 1HG LYS 12 2HG LYS 12 8.765 2.105 23.721
77 2HG LYS 12 3HG LYS 12 7.062 1.731 23.998
78 1HD LYS 12 2HD LYS 12 7.214 1.846 21.260
79 2HD LYS 12 3HD LYS 12 8.768 1.137 21.700
80 1HE LYS 12 2HE LYS 12 6.020 0.134 22.420
81 2HE LYS 12 3HE LYS 12 7.203 -0.643 21.368
82 1HZ LYS 12 1HZ LYS 12 7.032 -0.622 24.256
83 2HZ LYS 12 2HZ LYS 12 8.590 -0.385 23.643
84 3HZ LYS 12 3HZ LYS 12 7.716 -1.770 23.219
85 H ARG 13 H ARG 13 10.141 5.274 24.735
86 HA ARG 13 HA ARG 13 10.062 7.908 23.660
87 1HB ARG 13 2HB ARG 13 12.551 6.335 24.316
88 2HB ARG 13 3HB ARG 13 12.345 8.081 24.319
89 1HG ARG 13 2HG ARG 13 10.756 7.830 26.215
90 2HG ARG 13 3HG ARG 13 11.152 6.111 26.254
91 1HD ARG 13 2HD ARG 13 13.226 8.278 26.482
92 2HD ARG 13 3HD ARG 13 12.408 7.583 27.880
93 HE ARG 13 HE ARG 13 14.538 6.418 26.402
94 1HH1 ARG 13 2HH1 ARG 13 11.637 5.649 28.166
95 2HH1 ARG 13 1HH1 ARG 13 12.165 4.056 28.595
96 1HH2 ARG 13 2HH2 ARG 13 15.244 4.322 26.959
97 2HH2 ARG 13 1HH2 ARG 13 14.216 3.302 27.908
98 H ILE 14 H ILE 14 11.000 8.741 21.811
99 HA ILE 14 HA ILE 14 12.219 6.892 19.907
100 HB ILE 14 HB ILE 14 9.832 8.604 19.205
101 1HG1 ILE 14 2HG1 ILE 14 10.130 5.594 19.198
102 2HG1 ILE 14 3HG1 ILE 14 9.307 6.513 20.453
103 1HG2 ILE 14 1HG2 ILE 14 11.589 6.846 17.504
104 2HG2 ILE 14 2HG2 ILE 14 10.044 7.512 16.980
105 3HG2 ILE 14 3HG2 ILE 14 11.381 8.592 17.376
106 1HD1 ILE 14 1HD1 ILE 14 7.993 7.415 18.303
107 2HD1 ILE 14 2HD1 ILE 14 8.431 5.805 17.735
108 3HD1 ILE 14 3HD1 ILE 14 7.501 5.991 19.221
109 H TYR 15 H TYR 15 14.137 7.866 19.670
110 HA TYR 15 HA TYR 15 14.664 10.594 19.927
111 1HB TYR 15 2HB TYR 15 16.124 8.279 18.735
112 2HB TYR 15 3HB TYR 15 16.722 9.903 18.409
113 HD1 TYR 15 1HD TYR 15 18.581 10.332 19.703
114 HD2 TYR 15 2HD TYR 15 15.299 8.271 21.460
115 HE1 TYR 15 1HE TYR 15 19.744 10.342 21.871
116 HE2 TYR 15 2HE TYR 15 16.451 8.277 23.633
117 HH TYR 15 HH TYR 15 19.204 10.178 24.250
118 H THR 16 H THR 16 13.474 12.003 18.759
119 HA THR 16 HA THR 16 13.732 11.846 15.830
120 HB THR 16 HB THR 16 11.260 12.967 17.123
121 HG1 THR 16 1HG THR 16 11.745 10.266 16.347
122 1HG2 THR 16 1HG2 THR 16 10.412 12.051 14.809
123 2HG2 THR 16 2HG2 THR 16 12.119 12.158 14.382
124 3HG2 THR 16 3HG2 THR 16 11.249 13.599 14.909
125 H LEU 17 H LEU 17 15.194 13.351 17.939
126 HA LEU 17 HA LEU 17 14.463 16.030 18.060
127 1HB LEU 17 2HB LEU 17 16.654 16.484 18.772
128 2HB LEU 17 3HB LEU 17 16.296 14.854 19.335
129 HG LEU 17 HG LEU 17 17.521 14.220 17.059
130 1HD1 LEU 17 1HD1 LEU 17 19.261 16.493 17.778
131 2HD1 LEU 17 2HD1 LEU 17 17.801 16.878 16.867
132 3HD1 LEU 17 3HD1 LEU 17 18.971 15.731 16.214
133 1HD2 LEU 17 1HD2 LEU 17 18.872 14.987 19.643
134 2HD2 LEU 17 2HD2 LEU 17 19.602 14.003 18.375
135 3HD2 LEU 17 3HD2 LEU 17 18.178 13.418 19.237
136 H LYS 18 H LYS 18 15.845 14.208 15.463
137 HA LYS 18 HA LYS 18 17.062 16.177 13.939
138 1HB LYS 18 2HB LYS 18 16.183 13.494 13.558
139 2HB LYS 18 3HB LYS 18 15.639 14.441 12.179
140 1HG LYS 18 2HG LYS 18 17.670 13.974 11.364
141 2HG LYS 18 3HG LYS 18 18.191 15.303 12.402
142 1HD LYS 18 2HD LYS 18 18.019 12.720 13.769
143 2HD LYS 18 3HD LYS 18 19.202 12.762 12.459
144 1HE LYS 18 2HE LYS 18 19.691 15.128 13.713
145 2HE LYS 18 3HE LYS 18 19.218 14.105 15.069
146 1HZ LYS 18 1HZ LYS 18 21.391 13.571 13.118
147 2HZ LYS 18 2HZ LYS 18 20.889 12.479 14.308
148 3HZ LYS 18 3HZ LYS 18 21.573 13.960 14.755
149 H LYS 19 H LYS 19 13.692 15.589 14.523
150 HA LYS 19 HA LYS 19 12.476 16.811 12.367
151 1HB LYS 19 2HB LYS 19 10.559 17.102 13.742
152 2HB LYS 19 3HB LYS 19 11.356 15.638 14.304
153 1HG LYS 19 2HG LYS 19 12.372 16.921 16.140
154 2HG LYS 19 3HG LYS 19 11.504 18.357 15.591
155 1HD LYS 19 2HD LYS 19 9.383 16.952 15.842
156 2HD LYS 19 3HD LYS 19 10.386 15.818 16.748
157 1HE LYS 19 2HE LYS 19 10.975 17.586 18.323
158 2HE LYS 19 3HE LYS 19 10.007 18.739 17.404
159 1HZ LYS 19 1HZ LYS 19 9.114 17.310 19.500
160 2HZ LYS 19 2HZ LYS 19 8.579 16.364 18.205
161 3HZ LYS 19 3HZ LYS 19 8.122 17.989 18.310
162 H VAL 20 H VAL 20 14.180 18.253 15.046
163 HA VAL 20 HA VAL 20 13.747 20.901 13.828
164 HB VAL 20 HB VAL 20 12.494 20.695 15.958
165 1HG1 VAL 20 1HG1 VAL 20 14.541 19.215 16.863
166 2HG1 VAL 20 2HG1 VAL 20 14.974 20.778 17.560
167 3HG1 VAL 20 3HG1 VAL 20 13.408 20.053 17.924
168 1HG2 VAL 20 1HG2 VAL 20 14.732 22.591 16.499
169 2HG2 VAL 20 2HG2 VAL 20 13.743 22.817 15.056
170 3HG2 VAL 20 3HG2 VAL 20 12.991 22.831 16.652
171 H THR 21 H THR 21 15.488 22.358 13.930
172 HA THR 21 HA THR 21 18.090 21.045 14.237
173 HB THR 21 HB THR 21 17.546 22.199 12.082
174 HG1 THR 21 1HG THR 21 19.670 22.150 12.179
175 1HG2 THR 21 1HG2 THR 21 16.373 24.124 13.360
176 2HG2 THR 21 2HG2 THR 21 17.311 24.510 11.918
177 3HG2 THR 21 3HG2 THR 21 17.997 24.792 13.518
178 H GLU 22 H GLU 22 19.879 22.741 14.865
179 HA GLU 22 HA GLU 22 19.643 23.295 17.558
180 1HB GLU 22 2HB GLU 22 21.610 23.618 15.579
181 2HB GLU 22 3HB GLU 22 21.411 25.205 16.309
182 1HG GLU 22 2HG GLU 22 22.194 24.529 18.337
183 2HG GLU 22 3HG GLU 22 21.659 22.865 18.115
184 H SER 23 H SER 23 19.669 25.399 18.670
185 HA SER 23 HA SER 23 17.851 27.310 17.355
186 1HB SER 23 2HB SER 23 18.108 27.025 20.341
187 2HB SER 23 3HB SER 23 16.780 27.718 19.410
188 HG SER 23 HG SER 23 16.543 25.484 18.561
189 H GLY 24 H GLY 24 19.808 28.321 16.491
190 1HA GLY 24 2HA GLY 24 20.862 30.449 16.666
191 2HA GLY 24 3HA GLY 24 20.868 30.269 18.415
192 H GLU 25 H GLU 25 22.791 30.292 15.755
193 HA GLU 25 HA GLU 25 24.792 28.532 17.012
194 1HB GLU 25 2HB GLU 25 25.787 28.244 14.802
195 2HB GLU 25 3HB GLU 25 24.096 27.763 14.788
196 1HG GLU 25 2HG GLU 25 23.449 29.576 13.518
197 2HG GLU 25 3HG GLU 25 24.861 30.528 13.972
198 H ILE 26 H ILE 26 27.093 29.207 16.477
199 HA ILE 26 HA ILE 26 27.363 32.134 16.411
200 HB ILE 26 HB ILE 26 27.510 31.418 18.754
201 1HG1 ILE 26 2HG1 ILE 26 30.231 32.193 17.691
202 2HG1 ILE 26 3HG1 ILE 26 28.884 33.315 17.855
203 1HG2 ILE 26 1HG2 ILE 26 28.541 29.131 17.941
204 2HG2 ILE 26 2HG2 ILE 26 30.058 29.978 18.242
205 3HG2 ILE 26 3HG2 ILE 26 28.887 29.776 19.545
206 1HD1 ILE 26 1HD1 ILE 26 28.865 32.968 20.253
207 2HD1 ILE 26 2HD1 ILE 26 30.172 31.792 20.108
208 3HD1 ILE 26 3HD1 ILE 26 30.461 33.485 19.709
209 H THR 27 H THR 27 29.243 32.924 15.481
210 HA THR 27 HA THR 27 31.136 30.966 14.388
211 HB THR 27 HB THR 27 29.462 31.503 12.624
212 HG1 THR 27 1HG THR 27 32.028 32.592 12.038
213 1HG2 THR 27 1HG2 THR 27 30.549 34.162 12.094
214 2HG2 THR 27 2HG2 THR 27 29.622 34.072 13.592
215 3HG2 THR 27 3HG2 THR 27 28.879 33.595 12.065
216 H LYS 28 H LYS 28 33.134 32.000 13.558
217 HA LYS 28 HA LYS 28 33.981 34.079 15.395
218 1HB LYS 28 2HB LYS 28 36.228 33.596 14.617
219 2HB LYS 28 3HB LYS 28 35.398 32.093 14.999
220 1HG LYS 28 2HG LYS 28 34.825 32.145 12.432
221 2HG LYS 28 3HG LYS 28 36.259 33.173 12.369
222 1HD LYS 28 2HD LYS 28 36.349 30.574 13.845
223 2HD LYS 28 3HD LYS 28 36.496 30.593 12.086
224 1HE LYS 28 2HE LYS 28 38.397 32.100 12.244
225 2HE LYS 28 3HE LYS 28 38.227 32.159 13.998
226 1HZ LYS 28 1HZ LYS 28 39.942 30.569 12.951
227 2HZ LYS 28 2HZ LYS 28 38.610 29.574 12.643
228 3HZ LYS 28 3HZ LYS 28 38.987 30.012 14.232
229 H SER 29 H SER 29 35.662 35.680 14.338
230 HA SER 29 HA SER 29 34.865 36.624 11.718
231 1HB SER 29 2HB SER 29 33.178 37.648 13.206
232 2HB SER 29 3HB SER 29 34.472 38.372 14.161
233 HG SER 29 HG SER 29 33.321 39.404 12.066
234 H ALA 30 H ALA 30 36.273 38.251 10.873
235 HA ALA 30 HA ALA 30 38.630 38.954 12.424
236 1HB ALA 30 1HB ALA 30 40.135 37.658 11.398
237 2HB ALA 30 2HB ALA 30 38.751 36.679 10.910
238 3HB ALA 30 3HB ALA 30 39.399 37.898 9.813
239 H HIS 31 H HIS 31 39.861 40.658 11.501
240 HA HIS 31 HA HIS 31 39.128 41.842 9.002
241 1HB HIS 31 2HB HIS 31 37.277 42.518 10.647
242 2HB HIS 31 3HB HIS 31 38.502 43.513 11.429
243 HD1 HIS 31 1HD HIS 31 39.316 45.611 10.159
244 HD2 HIS 31 2HD HIS 31 36.363 43.463 8.177
245 HE1 HIS 31 1HE HIS 31 38.511 47.119 8.315
246 HA PRO 32 HA PRO 32 43.373 42.740 10.718
247 1HB PRO 32 2HB PRO 32 44.723 41.763 8.574
248 2HB PRO 32 3HB PRO 32 44.230 40.755 9.941
249 1HG PRO 32 2HG PRO 32 42.927 41.088 7.266
250 2HG PRO 32 3HG PRO 32 43.204 39.606 8.199
251 1HD PRO 32 2HD PRO 32 40.805 40.859 8.135
252 2HD PRO 32 3HD PRO 32 41.381 39.972 9.560
253 H ALA 33 H ALA 33 45.158 43.966 9.527
254 HA ALA 33 HA ALA 33 43.904 46.139 8.053
255 1HB ALA 33 1HB ALA 33 45.252 47.199 9.506
256 2HB ALA 33 2HB ALA 33 46.329 45.813 9.680
257 3HB ALA 33 3HB ALA 33 46.494 46.889 8.292
258 H ARG 34 H ARG 34 44.097 46.454 5.927
259 HA ARG 34 HA ARG 34 46.370 45.539 4.432
260 1HB ARG 34 2HB ARG 34 43.946 43.917 4.558
261 2HB ARG 34 3HB ARG 34 44.382 44.359 2.912
262 1HG ARG 34 2HG ARG 34 46.237 43.040 4.884
263 2HG ARG 34 3HG ARG 34 45.326 42.197 3.630
264 1HD ARG 34 2HD ARG 34 46.660 42.955 1.959
265 2HD ARG 34 3HD ARG 34 46.974 44.494 2.761
266 HE ARG 34 HE ARG 34 48.881 43.584 3.607
267 1HH1 ARG 34 2HH1 ARG 34 46.705 40.998 2.775
268 2HH1 ARG 34 1HH1 ARG 34 47.840 39.746 3.155
269 1HH2 ARG 34 2HH2 ARG 34 50.385 41.945 4.110
270 2HH2 ARG 34 1HH2 ARG 34 49.933 40.286 3.915
271 H PHE 35 H PHE 35 45.824 45.843 1.957
272 HA PHE 35 HA PHE 35 44.622 48.505 1.750
273 1HB PHE 35 2HB PHE 35 45.796 48.556 -0.478
274 2HB PHE 35 3HB PHE 35 46.863 48.429 0.916
275 HD1 PHE 35 1HD PHE 35 48.459 46.754 1.009
276 HD2 PHE 35 2HD PHE 35 45.175 46.363 -1.672
277 HE1 PHE 35 1HE PHE 35 49.499 44.749 0.031
278 HE2 PHE 35 2HE PHE 35 46.210 44.358 -2.653
279 HZ PHE 35 HZ PHE 35 48.375 43.548 -1.801
280 H SER 36 H SER 36 43.084 49.018 0.182
281 HA SER 36 HA SER 36 41.147 47.048 -0.343
282 1HB SER 36 2HB SER 36 41.553 49.893 -1.088
283 2HB SER 36 3HB SER 36 40.450 48.963 -2.102
284 HG SER 36 HG SER 36 39.053 48.901 -0.521
285 HA PRO 37 HA PRO 37 42.344 45.167 -4.119
286 1HB PRO 37 2HB PRO 37 39.986 44.967 -5.449
287 2HB PRO 37 3HB PRO 37 40.381 43.976 -4.039
288 1HG PRO 37 2HG PRO 37 38.716 46.459 -4.204
289 2HG PRO 37 3HG PRO 37 38.408 44.963 -3.302
290 1HD PRO 37 2HD PRO 37 39.392 47.196 -2.129
291 2HD PRO 37 3HD PRO 37 39.820 45.563 -1.582
292 H ASP 38 H ASP 38 40.604 48.190 -4.286
293 HA ASP 38 HA ASP 38 41.354 48.603 -7.075
294 1HB ASP 38 2HB ASP 38 39.074 49.226 -6.229
295 2HB ASP 38 3HB ASP 38 39.838 50.469 -5.243
296 H ASP 39 H ASP 39 43.114 48.668 -4.497
297 HA ASP 39 HA ASP 39 44.188 51.357 -4.604
298 1HB ASP 39 2HB ASP 39 44.041 49.570 -2.589
299 2HB ASP 39 3HB ASP 39 45.669 49.230 -3.168
300 H LYS 40 H LYS 40 44.792 48.292 -6.046
301 HA LYS 40 HA LYS 40 47.534 48.791 -6.735
302 1HB LYS 40 2HB LYS 40 46.223 46.521 -6.513
303 2HB LYS 40 3HB LYS 40 45.829 46.817 -8.201
304 1HG LYS 40 2HG LYS 40 47.718 45.581 -8.457
305 2HG LYS 40 3HG LYS 40 48.433 47.193 -8.385
306 1HD LYS 40 2HD LYS 40 48.470 46.670 -5.793
307 2HD LYS 40 3HD LYS 40 48.462 45.002 -6.370
308 1HE LYS 40 2HE LYS 40 50.375 45.852 -7.939
309 2HE LYS 40 3HE LYS 40 50.521 47.134 -6.736
310 1HZ LYS 40 1HZ LYS 40 50.618 45.235 -5.060
311 2HZ LYS 40 2HZ LYS 40 51.986 45.498 -6.019
312 3HZ LYS 40 3HZ LYS 40 50.927 44.230 -6.385
313 H TYR 41 H TYR 41 44.700 50.104 -7.805
314 HA TYR 41 HA TYR 41 44.803 50.131 -10.561
315 1HB TYR 41 2HB TYR 41 43.440 52.061 -10.493
316 2HB TYR 41 3HB TYR 41 43.053 51.175 -9.022
317 HD1 TYR 41 1HD TYR 41 44.679 51.869 -6.966
318 HD2 TYR 41 2HD TYR 41 43.656 54.341 -10.276
319 HE1 TYR 41 1HE TYR 41 45.187 53.867 -5.625
320 HE2 TYR 41 2HE TYR 41 44.164 56.344 -8.944
321 HH TYR 41 HH TYR 41 44.664 57.126 -6.911
322 H SER 42 H SER 42 46.812 51.823 -8.269
323 HA SER 42 HA SER 42 48.698 52.492 -10.334
324 1HB SER 42 2HB SER 42 48.661 54.870 -10.115
325 2HB SER 42 3HB SER 42 46.993 54.370 -10.389
326 HG SER 42 HG SER 42 47.122 54.312 -7.866
327 H ARG 43 H ARG 43 50.517 51.824 -9.421
328 HA ARG 43 HA ARG 43 50.867 51.892 -6.550
329 1HB ARG 43 2HB ARG 43 52.853 51.028 -8.656
330 2HB ARG 43 3HB ARG 43 52.893 50.648 -6.940
331 1HG ARG 43 2HG ARG 43 51.025 49.205 -7.122
332 2HG ARG 43 3HG ARG 43 50.669 49.767 -8.757
333 1HD ARG 43 2HD ARG 43 51.712 47.678 -9.035
334 2HD ARG 43 3HD ARG 43 52.958 48.872 -9.399
335 HE ARG 43 HE ARG 43 53.040 48.111 -6.666
336 1HH1 ARG 43 2HH1 ARG 43 53.875 47.024 -9.866
337 2HH1 ARG 43 1HH1 ARG 43 55.173 46.012 -9.325
338 1HH2 ARG 43 2HH2 ARG 43 54.746 46.782 -5.941
339 2HH2 ARG 43 1HH2 ARG 43 55.668 45.874 -7.092
340 H GLN 44 H GLN 44 51.877 53.715 -9.325
341 HA GLN 44 HA GLN 44 54.172 54.960 -8.383
342 1HB GLN 44 2HB GLN 44 53.831 56.605 -10.047
343 2HB GLN 44 3HB GLN 44 53.139 55.125 -10.696
344 1HG GLN 44 2HG GLN 44 50.940 56.097 -9.609
345 2HG GLN 44 3HG GLN 44 51.803 57.620 -9.815
346 1HE2 GLN 44 1HE2 GLN 44 50.272 58.303 -11.336
347 2HE2 GLN 44 2HE2 GLN 44 50.261 57.686 -12.949
348 H ARG 45 H ARG 45 50.858 55.432 -7.485
349 HA ARG 45 HA ARG 45 50.856 57.994 -6.460
350 1HB ARG 45 2HB ARG 45 48.991 56.146 -6.564
351 2HB ARG 45 3HB ARG 45 49.521 55.799 -4.925
352 1HG ARG 45 2HG ARG 45 48.916 58.619 -5.630
353 2HG ARG 45 3HG ARG 45 47.570 57.496 -5.426
354 1HD ARG 45 2HD ARG 45 49.711 57.550 -3.357
355 2HD ARG 45 3HD ARG 45 48.540 58.868 -3.393
356 HE ARG 45 HE ARG 45 48.082 56.185 -2.521
357 1HH1 ARG 45 2HH1 ARG 45 46.582 58.982 -3.952
358 2HH1 ARG 45 1HH1 ARG 45 44.992 58.576 -3.394
359 1HH2 ARG 45 2HH2 ARG 45 45.994 55.639 -1.783
360 2HH2 ARG 45 1HH2 ARG 45 44.659 56.675 -2.161
361 H VAL 46 H VAL 46 52.299 55.094 -5.150
362 HA VAL 46 HA VAL 46 52.683 55.833 -2.501
363 HB VAL 46 HB VAL 46 53.203 53.590 -3.459
364 1HG1 VAL 46 1HG1 VAL 46 54.676 54.887 -5.296
365 2HG1 VAL 46 2HG1 VAL 46 55.945 54.420 -4.161
366 3HG1 VAL 46 3HG1 VAL 46 54.910 53.188 -4.883
367 1HG2 VAL 46 1HG2 VAL 46 54.074 54.569 -1.227
368 2HG2 VAL 46 2HG2 VAL 46 54.782 53.072 -1.837
369 3HG2 VAL 46 3HG2 VAL 46 55.638 54.601 -2.042
370 H THR 47 H THR 47 54.354 56.865 -5.385
371 HA THR 47 HA THR 47 56.679 57.921 -4.232
372 HB THR 47 HB THR 47 55.228 58.991 -6.661
373 HG1 THR 47 1HG THR 47 57.368 57.151 -6.749
374 1HG2 THR 47 1HG2 THR 47 57.816 59.559 -5.395
375 2HG2 THR 47 2HG2 THR 47 56.871 60.526 -6.528
376 3HG2 THR 47 3HG2 THR 47 57.906 59.229 -7.124
377 H LEU 48 H LEU 48 57.213 59.933 -3.442
378 HA LEU 48 HA LEU 48 55.270 61.339 -1.997
379 1HB LEU 48 2HB LEU 48 57.800 61.253 -1.655
380 2HB LEU 48 3HB LEU 48 57.888 62.518 -2.879
381 HG LEU 48 HG LEU 48 56.532 63.982 -1.447
382 1HD1 LEU 48 1HD1 LEU 48 55.203 62.463 -0.216
383 2HD1 LEU 48 2HD1 LEU 48 56.251 63.265 0.954
384 3HD1 LEU 48 3HD1 LEU 48 56.619 61.625 0.420
385 1HD2 LEU 48 1HD2 LEU 48 59.195 63.017 -0.878
386 2HD2 LEU 48 2HD2 LEU 48 58.402 63.613 0.580
387 3HD2 LEU 48 3HD2 LEU 48 58.558 64.661 -0.830
388 H LYS 49 H LYS 49 54.549 63.537 -2.242
389 HA LYS 49 HA LYS 49 53.822 64.129 -4.978
390 1HB LYS 49 2HB LYS 49 52.084 64.380 -3.361
391 2HB LYS 49 3HB LYS 49 53.098 65.381 -2.330
392 1HG LYS 49 2HG LYS 49 51.464 66.745 -3.460
393 2HG LYS 49 3HG LYS 49 53.081 67.138 -4.048
394 1HD LYS 49 2HD LYS 49 51.722 67.034 -5.970
395 2HD LYS 49 3HD LYS 49 52.619 65.514 -5.949
396 1HE LYS 49 2HE LYS 49 49.956 65.618 -4.621
397 2HE LYS 49 3HE LYS 49 50.016 65.576 -6.382
398 1HZ LYS 49 1HZ LYS 49 51.783 63.649 -5.322
399 2HZ LYS 49 2HZ LYS 49 50.432 63.417 -6.314
400 3HZ LYS 49 3HZ LYS 49 50.251 63.438 -4.632
401 H LYS 50 H LYS 50 54.884 66.368 -2.428
402 HA LYS 50 HA LYS 50 57.073 67.323 -4.069
403 1HB LYS 50 2HB LYS 50 55.266 68.629 -4.990
404 2HB LYS 50 3HB LYS 50 54.705 69.069 -3.382
405 1HG LYS 50 2HG LYS 50 56.378 70.602 -3.065
406 2HG LYS 50 3HG LYS 50 57.477 69.799 -4.190
407 1HD LYS 50 2HD LYS 50 54.955 70.950 -5.269
408 2HD LYS 50 3HD LYS 50 56.248 72.062 -4.812
409 1HE LYS 50 2HE LYS 50 56.764 71.654 -7.017
410 2HE LYS 50 3HE LYS 50 57.743 70.434 -6.205
411 1HZ LYS 50 1HZ LYS 50 56.617 68.813 -7.192
412 2HZ LYS 50 2HZ LYS 50 55.915 69.986 -8.187
413 3HZ LYS 50 3HZ LYS 50 55.117 69.481 -6.785
414 H ARG 51 H ARG 51 58.720 68.054 -2.853
415 HA ARG 51 HA ARG 51 58.203 68.435 0.023
416 1HB ARG 51 2HB ARG 51 60.369 67.581 0.493
417 2HB ARG 51 3HB ARG 51 59.647 66.478 -0.670
418 1HG ARG 51 2HG ARG 51 60.902 67.633 -2.469
419 2HG ARG 51 3HG ARG 51 61.701 68.604 -1.230
420 1HD ARG 51 2HD ARG 51 62.780 66.721 -0.308
421 2HD ARG 51 3HD ARG 51 61.741 65.600 -1.187
422 HE ARG 51 HE ARG 51 63.139 65.778 -2.986
423 1HH1 ARG 51 2HH1 ARG 51 63.751 68.425 -0.809
424 2HH1 ARG 51 1HH1 ARG 51 65.141 68.988 -1.678
425 1HH2 ARG 51 2HH2 ARG 51 64.967 66.510 -4.137
426 2HH2 ARG 51 1HH2 ARG 51 65.830 67.899 -3.571
427 H PHE 52 H PHE 52 58.828 70.284 0.990
428 HA PHE 52 HA PHE 52 60.268 72.250 -0.668
429 1HB PHE 52 2HB PHE 52 59.061 73.975 0.738
430 2HB PHE 52 3HB PHE 52 58.044 73.050 -0.362
431 HD1 PHE 52 1HD PHE 52 58.960 73.599 3.144
432 HD2 PHE 52 2HD PHE 52 56.389 71.525 0.460
433 HE1 PHE 52 1HE PHE 52 57.515 72.957 5.030
434 HE2 PHE 52 2HE PHE 52 54.939 70.882 2.340
435 HZ PHE 52 HZ PHE 52 55.501 71.598 4.628
436 H GLY 53 H GLY 53 59.960 70.747 2.469
437 1HA GLY 53 2HA GLY 53 61.536 70.543 4.145
438 2HA GLY 53 3HA GLY 53 62.654 71.463 3.146
439 H LEU 54 H LEU 54 62.227 73.842 3.027
440 HA LEU 54 HA LEU 54 61.205 74.825 5.611
441 1HB LEU 54 2HB LEU 54 63.674 74.920 5.390
442 2HB LEU 54 3HB LEU 54 63.473 75.978 3.995
443 HG LEU 54 HG LEU 54 62.549 77.717 5.381
444 1HD1 LEU 54 1HD1 LEU 54 62.769 77.166 7.968
445 2HD1 LEU 54 2HD1 LEU 54 62.419 75.539 7.387
446 3HD1 LEU 54 3HD1 LEU 54 61.289 76.853 7.060
447 1HD2 LEU 54 1HD2 LEU 54 64.749 77.095 7.169
448 2HD2 LEU 54 2HD2 LEU 54 64.576 78.407 6.003
449 3HD2 LEU 54 3HD2 LEU 54 65.165 76.829 5.476
450 H VAL 55 H VAL 55 59.322 75.798 5.231
451 HA VAL 55 HA VAL 55 58.347 76.770 2.846
452 HB VAL 55 HB VAL 55 56.902 78.300 4.315
453 1HG1 VAL 55 1HG1 VAL 55 56.793 75.419 5.141
454 2HG1 VAL 55 2HG1 VAL 55 55.463 76.536 4.831
455 3HG1 VAL 55 3HG1 VAL 55 56.425 75.915 3.489
456 1HG2 VAL 55 1HG2 VAL 55 58.796 78.038 6.160
457 2HG2 VAL 55 2HG2 VAL 55 57.103 78.295 6.584
458 3HG2 VAL 55 3HG2 VAL 55 57.787 76.670 6.630
459 HA PRO 56 HA PRO 56 60.347 80.574 1.955
460 1HB PRO 56 2HB PRO 56 58.316 82.014 0.873
461 2HB PRO 56 3HB PRO 56 59.084 80.658 0.038
462 1HG PRO 56 2HG PRO 56 56.517 80.727 1.576
463 2HG PRO 56 3HG PRO 56 56.872 79.941 0.026
464 1HD PRO 56 2HD PRO 56 56.790 78.579 2.364
465 2HD PRO 56 3HD PRO 56 57.872 78.126 1.033
466 H GLY 57 H GLY 57 60.472 82.832 2.504
467 1HA GLY 57 2HA GLY 57 58.670 83.704 4.658
468 2HA GLY 57 3HA GLY 57 60.405 83.706 4.939
469 H GLN 58 H GLN 58 61.676 84.908 3.172
470 HA GLN 58 HA GLN 58 60.195 87.238 2.188
471 1HB GLN 58 2HB GLN 58 61.883 88.775 3.033
472 2HB GLN 58 3HB GLN 58 61.163 87.871 4.359
473 1HG GLN 58 2HG GLN 58 63.350 87.732 4.945
474 2HG GLN 58 3HG GLN 58 63.222 86.285 3.947
475 1HE2 GLN 58 1HE2 GLN 58 65.410 86.303 3.461
476 2HE2 GLN 58 2HE2 GLN 58 66.106 87.455 2.377
Start of MODEL 7
1 1H HIS 2 H HIS 2 10.033 21.270 25.608
2 HA HIS 2 HA HIS 2 11.947 22.025 23.498
3 1HB HIS 2 2HB HIS 2 12.286 22.127 26.497
4 2HB HIS 2 3HB HIS 2 13.645 22.195 25.378
5 HD1 HIS 2 1HD HIS 2 10.315 24.016 25.161
6 HD2 HIS 2 2HD HIS 2 14.382 24.803 25.488
7 HE1 HIS 2 1HE HIS 2 10.532 26.516 24.989
8 H LEU 3 H LEU 3 10.467 19.525 23.893
9 HA LEU 3 HA LEU 3 12.341 17.600 24.923
10 1HB LEU 3 2HB LEU 3 9.834 17.185 23.303
11 2HB LEU 3 3HB LEU 3 10.729 15.935 24.164
12 HG LEU 3 HG LEU 3 10.191 17.565 26.219
13 1HD1 LEU 3 1HD1 LEU 3 8.618 18.621 24.118
14 2HD1 LEU 3 2HD1 LEU 3 8.639 19.091 25.817
15 3HD1 LEU 3 3HD1 LEU 3 7.529 17.837 25.263
16 1HD2 LEU 3 1HD2 LEU 3 8.246 16.105 26.680
17 2HD2 LEU 3 2HD2 LEU 3 9.682 15.212 26.175
18 3HD2 LEU 3 3HD2 LEU 3 8.362 15.482 25.035
19 H MET 4 H MET 4 13.482 16.042 23.742
20 HA MET 4 HA MET 4 13.854 16.690 20.891
21 1HB MET 4 2HB MET 4 16.186 15.924 21.142
22 2HB MET 4 3HB MET 4 15.825 17.304 22.170
23 1HG MET 4 2HG MET 4 15.465 14.642 23.384
24 2HG MET 4 3HG MET 4 17.120 15.120 23.012
25 1HE MET 4 1HE MET 4 14.236 15.691 25.855
26 2HE MET 4 2HE MET 4 15.399 14.399 25.556
27 3HE MET 4 3HE MET 4 15.687 15.562 26.851
28 H TYR 5 H TYR 5 12.093 14.700 22.339
29 HA TYR 5 HA TYR 5 12.576 12.507 20.544
30 1HB TYR 5 2HB TYR 5 12.804 10.773 22.237
31 2HB TYR 5 3HB TYR 5 14.101 11.951 22.410
32 HD1 TYR 5 1HD TYR 5 11.527 10.183 24.087
33 HD2 TYR 5 2HD TYR 5 13.727 13.823 24.170
34 HE1 TYR 5 1HE TYR 5 10.927 10.485 26.454
35 HE2 TYR 5 2HE TYR 5 13.134 14.134 26.536
36 HH TYR 5 HH TYR 5 11.653 13.438 28.171
37 H THR 6 H THR 6 10.674 11.744 19.899
38 HA THR 6 HA THR 6 8.264 12.600 21.253
39 HB THR 6 HB THR 6 7.062 11.652 19.356
40 HG1 THR 6 1HG THR 6 8.187 9.861 18.772
41 1HG2 THR 6 1HG2 THR 6 7.535 13.643 18.457
42 2HG2 THR 6 2HG2 THR 6 8.835 12.840 17.576
43 3HG2 THR 6 3HG2 THR 6 9.169 13.627 19.117
44 H LEU 7 H LEU 7 6.828 11.333 22.333
45 HA LEU 7 HA LEU 7 7.738 8.639 23.020
46 1HB LEU 7 2HB LEU 7 5.619 10.389 24.257
47 2HB LEU 7 3HB LEU 7 6.075 8.788 24.837
48 HG LEU 7 HG LEU 7 7.750 11.293 24.874
49 1HD1 LEU 7 1HD1 LEU 7 5.884 10.686 26.623
50 2HD1 LEU 7 2HD1 LEU 7 7.438 11.340 27.137
51 3HD1 LEU 7 3HD1 LEU 7 7.132 9.606 27.245
52 1HD2 LEU 7 1HD2 LEU 7 9.087 9.344 26.299
53 2HD2 LEU 7 2HD2 LEU 7 9.524 9.956 24.704
54 3HD2 LEU 7 3HD2 LEU 7 8.540 8.499 24.851
55 H GLY 8 H GLY 8 6.092 6.920 23.248
56 1HA GLY 8 2HA GLY 8 4.285 6.994 20.941
57 2HA GLY 8 3HA GLY 8 4.837 5.548 21.775
58 HA PRO 9 HA PRO 9 0.476 6.536 23.095
59 1HB PRO 9 2HB PRO 9 -0.517 4.063 22.573
60 2HB PRO 9 3HB PRO 9 -0.448 5.346 21.359
61 1HG PRO 9 2HG PRO 9 1.410 3.037 21.782
62 2HG PRO 9 3HG PRO 9 0.762 3.688 20.265
63 1HD PRO 9 2HD PRO 9 3.261 4.252 21.142
64 2HD PRO 9 3HD PRO 9 2.297 5.407 20.200
65 H ASP 10 H ASP 10 2.887 4.186 23.839
66 HA ASP 10 HA ASP 10 1.526 3.520 26.363
67 1HB ASP 10 2HB ASP 10 2.397 1.732 24.618
68 2HB ASP 10 3HB ASP 10 3.937 2.027 25.423
69 H GLY 11 H GLY 11 4.242 5.105 24.967
70 1HA GLY 11 2HA GLY 11 5.254 6.795 26.484
71 2HA GLY 11 3HA GLY 11 5.375 5.502 27.669
72 H LYS 12 H LYS 12 5.983 4.560 24.447
73 HA LYS 12 HA LYS 12 8.715 3.944 25.066
74 1HB LYS 12 2HB LYS 12 6.891 3.489 22.746
75 2HB LYS 12 3HB LYS 12 8.625 3.349 22.488
76 1HG LYS 12 2HG LYS 12 7.404 1.898 24.779
77 2HG LYS 12 3HG LYS 12 7.171 1.268 23.146
78 1HD LYS 12 2HD LYS 12 9.912 2.029 24.062
79 2HD LYS 12 3HD LYS 12 9.216 0.491 24.576
80 1HE LYS 12 2HE LYS 12 9.046 -0.293 22.367
81 2HE LYS 12 3HE LYS 12 9.272 1.320 21.690
82 1HZ LYS 12 1HZ LYS 12 11.277 -0.505 22.837
83 2HZ LYS 12 2HZ LYS 12 11.562 1.162 22.838
84 3HZ LYS 12 3HZ LYS 12 11.319 0.346 21.376
85 H ARG 13 H ARG 13 10.338 5.333 24.920
86 HA ARG 13 HA ARG 13 10.127 7.878 23.722
87 1HB ARG 13 2HB ARG 13 12.669 6.397 24.415
88 2HB ARG 13 3HB ARG 13 12.474 8.136 24.239
89 1HG ARG 13 2HG ARG 13 11.260 8.317 26.232
90 2HG ARG 13 3HG ARG 13 10.955 6.580 26.301
91 1HD ARG 13 2HD ARG 13 12.761 6.335 27.567
92 2HD ARG 13 3HD ARG 13 13.753 6.925 26.235
93 HE ARG 13 HE ARG 13 12.962 8.381 28.594
94 1HH1 ARG 13 2HH1 ARG 13 14.086 8.605 25.306
95 2HH1 ARG 13 1HH1 ARG 13 14.761 10.188 25.507
96 1HH2 ARG 13 2HH2 ARG 13 13.846 10.465 28.871
97 2HH2 ARG 13 1HH2 ARG 13 14.624 11.245 27.535
98 H ILE 14 H ILE 14 11.052 8.720 21.847
99 HA ILE 14 HA ILE 14 12.282 6.883 19.949
100 HB ILE 14 HB ILE 14 9.780 8.441 19.286
101 1HG1 ILE 14 2HG1 ILE 14 10.293 5.459 19.331
102 2HG1 ILE 14 3HG1 ILE 14 9.389 6.349 20.550
103 1HG2 ILE 14 1HG2 ILE 14 11.333 8.495 17.432
104 2HG2 ILE 14 2HG2 ILE 14 11.557 6.749 17.534
105 3HG2 ILE 14 3HG2 ILE 14 9.993 7.411 17.057
106 1HD1 ILE 14 1HD1 ILE 14 8.536 5.330 17.983
107 2HD1 ILE 14 2HD1 ILE 14 7.580 5.867 19.364
108 3HD1 ILE 14 3HD1 ILE 14 8.155 7.041 18.180
109 H TYR 15 H TYR 15 14.129 7.932 19.572
110 HA TYR 15 HA TYR 15 14.565 10.676 19.793
111 1HB TYR 15 2HB TYR 15 16.107 8.819 17.979
112 2HB TYR 15 3HB TYR 15 16.687 10.293 18.745
113 HD1 TYR 15 1HD TYR 15 16.994 6.897 18.873
114 HD2 TYR 15 2HD TYR 15 16.200 10.174 21.468
115 HE1 TYR 15 1HE TYR 15 17.811 5.577 20.781
116 HE2 TYR 15 2HE TYR 15 17.016 8.863 23.382
117 HH TYR 15 HH TYR 15 18.133 5.516 22.975
118 H THR 16 H THR 16 13.221 12.023 18.712
119 HA THR 16 HA THR 16 13.297 11.881 15.772
120 HB THR 16 HB THR 16 10.885 12.921 17.232
121 HG1 THR 16 1HG THR 16 11.425 10.235 16.445
122 1HG2 THR 16 1HG2 THR 16 11.610 12.200 14.440
123 2HG2 THR 16 2HG2 THR 16 10.629 13.536 15.046
124 3HG2 THR 16 3HG2 THR 16 9.949 11.912 14.958
125 H LEU 17 H LEU 17 14.835 13.440 17.801
126 HA LEU 17 HA LEU 17 14.012 16.098 17.936
127 1HB LEU 17 2HB LEU 17 15.830 15.293 19.278
128 2HB LEU 17 3HB LEU 17 16.779 14.910 17.842
129 HG LEU 17 HG LEU 17 17.099 17.248 17.367
130 1HD1 LEU 17 1HD1 LEU 17 16.263 18.924 19.089
131 2HD1 LEU 17 2HD1 LEU 17 15.160 17.657 19.623
132 3HD1 LEU 17 3HD1 LEU 17 15.072 18.263 17.969
133 1HD2 LEU 17 1HD2 LEU 17 18.841 17.020 18.729
134 2HD2 LEU 17 2HD2 LEU 17 17.923 16.002 19.839
135 3HD2 LEU 17 3HD2 LEU 17 17.858 17.758 19.994
136 H LYS 18 H LYS 18 15.298 14.287 15.295
137 HA LYS 18 HA LYS 18 16.452 16.219 13.698
138 1HB LYS 18 2HB LYS 18 16.093 13.652 13.330
139 2HB LYS 18 3HB LYS 18 14.639 14.164 12.485
140 1HG LYS 18 2HG LYS 18 16.228 15.720 11.173
141 2HG LYS 18 3HG LYS 18 17.501 14.661 11.785
142 1HD LYS 18 2HD LYS 18 15.104 13.424 10.525
143 2HD LYS 18 3HD LYS 18 16.304 14.187 9.480
144 1HE LYS 18 2HE LYS 18 16.936 12.091 11.553
145 2HE LYS 18 3HE LYS 18 16.668 11.748 9.845
146 1HZ LYS 18 1HZ LYS 18 18.541 13.778 9.946
147 2HZ LYS 18 2HZ LYS 18 18.806 12.162 9.525
148 3HZ LYS 18 3HZ LYS 18 19.018 12.663 11.126
149 H LYS 19 H LYS 19 13.091 15.695 14.432
150 HA LYS 19 HA LYS 19 11.943 17.159 12.319
151 1HB LYS 19 2HB LYS 19 11.067 16.125 14.937
152 2HB LYS 19 3HB LYS 19 10.177 17.529 14.360
153 1HG LYS 19 2HG LYS 19 9.118 15.411 13.723
154 2HG LYS 19 3HG LYS 19 9.595 16.374 12.323
155 1HD LYS 19 2HD LYS 19 11.318 14.941 11.758
156 2HD LYS 19 3HD LYS 19 11.462 14.303 13.398
157 1HE LYS 19 2HE LYS 19 10.499 12.587 12.073
158 2HE LYS 19 3HE LYS 19 9.205 13.247 13.073
159 1HZ LYS 19 1HZ LYS 19 8.858 14.750 10.975
160 2HZ LYS 19 2HZ LYS 19 8.187 13.200 11.052
161 3HZ LYS 19 3HZ LYS 19 9.613 13.462 10.181
162 H VAL 20 H VAL 20 11.070 19.286 12.302
163 HA VAL 20 HA VAL 20 12.713 21.181 13.794
164 HB VAL 20 HB VAL 20 10.782 21.663 11.522
165 1HG1 VAL 20 1HG1 VAL 20 12.048 23.858 11.394
166 2HG1 VAL 20 2HG1 VAL 20 10.929 23.674 12.746
167 3HG1 VAL 20 3HG1 VAL 20 12.663 23.481 13.003
168 1HG2 VAL 20 1HG2 VAL 20 13.554 22.179 10.946
169 2HG2 VAL 20 2HG2 VAL 20 13.331 20.514 11.482
170 3HG2 VAL 20 3HG2 VAL 20 12.414 21.128 10.107
171 H THR 21 H THR 21 11.963 22.514 15.339
172 HA THR 21 HA THR 21 9.438 21.995 16.534
173 HB THR 21 HB THR 21 11.122 24.423 17.119
174 HG1 THR 21 1HG THR 21 12.640 22.904 17.364
175 1HG2 THR 21 1HG2 THR 21 10.302 23.561 19.494
176 2HG2 THR 21 2HG2 THR 21 9.017 22.853 18.513
177 3HG2 THR 21 3HG2 THR 21 9.294 24.594 18.481
178 H GLU 22 H GLU 22 7.568 22.643 15.699
179 HA GLU 22 HA GLU 22 7.430 25.027 14.044
180 1HB GLU 22 2HB GLU 22 5.364 22.948 14.777
181 2HB GLU 22 3HB GLU 22 5.040 24.327 13.736
182 1HG GLU 22 2HG GLU 22 6.879 23.501 12.241
183 2HG GLU 22 3HG GLU 22 6.910 22.034 13.218
184 H SER 23 H SER 23 7.168 26.941 14.967
185 HA SER 23 HA SER 23 5.869 27.140 17.572
186 1HB SER 23 2HB SER 23 6.968 29.525 16.147
187 2HB SER 23 3HB SER 23 6.981 29.142 17.868
188 HG SER 23 HG SER 23 8.910 28.754 16.107
189 H GLY 24 H GLY 24 5.364 27.977 14.225
190 1HA GLY 24 2HA GLY 24 2.849 28.079 13.789
191 2HA GLY 24 3HA GLY 24 2.881 29.390 14.959
192 H GLU 25 H GLU 25 1.901 30.583 13.137
193 HA GLU 25 HA GLU 25 3.420 31.150 10.802
194 1HB GLU 25 2HB GLU 25 0.985 31.396 10.851
195 2HB GLU 25 3HB GLU 25 1.126 32.671 12.052
196 1HG GLU 25 2HG GLU 25 1.886 34.211 10.537
197 2HG GLU 25 3HG GLU 25 2.534 32.984 9.450
198 H ILE 26 H ILE 26 5.121 32.433 10.589
199 HA ILE 26 HA ILE 26 5.784 34.284 12.755
200 HB ILE 26 HB ILE 26 7.509 32.669 12.007
201 1HG1 ILE 26 2HG1 ILE 26 8.328 35.498 11.342
202 2HG1 ILE 26 3HG1 ILE 26 8.019 34.956 12.988
203 1HG2 ILE 26 1HG2 ILE 26 7.827 34.265 9.498
204 2HG2 ILE 26 2HG2 ILE 26 8.427 32.653 9.881
205 3HG2 ILE 26 3HG2 ILE 26 6.712 32.901 9.555
206 1HD1 ILE 26 1HD1 ILE 26 10.311 34.772 12.790
207 2HD1 ILE 26 2HD1 ILE 26 9.760 33.129 12.464
208 3HD1 ILE 26 3HD1 ILE 26 10.224 34.185 11.130
209 H THR 27 H THR 27 6.183 36.460 12.428
210 HA THR 27 HA THR 27 4.832 37.622 10.137
211 HB THR 27 HB THR 27 5.300 39.801 11.317
212 HG1 THR 27 1HG THR 27 6.302 39.777 13.243
213 1HG2 THR 27 1HG2 THR 27 3.961 38.124 13.348
214 2HG2 THR 27 2HG2 THR 27 3.316 38.019 11.709
215 3HG2 THR 27 3HG2 THR 27 3.397 39.579 12.527
216 H LYS 28 H LYS 28 5.815 39.465 8.980
217 HA LYS 28 HA LYS 28 8.670 38.955 8.482
218 1HB LYS 28 2HB LYS 28 8.179 40.123 6.271
219 2HB LYS 28 3HB LYS 28 7.476 38.526 6.493
220 1HG LYS 28 2HG LYS 28 5.828 40.862 7.271
221 2HG LYS 28 3HG LYS 28 6.087 40.577 5.549
222 1HD LYS 28 2HD LYS 28 5.262 38.307 7.306
223 2HD LYS 28 3HD LYS 28 4.053 39.484 6.784
224 1HE LYS 28 2HE LYS 28 3.902 37.946 5.091
225 2HE LYS 28 3HE LYS 28 5.110 39.042 4.423
226 1HZ LYS 28 1HZ LYS 28 6.681 37.476 4.511
227 2HZ LYS 28 2HZ LYS 28 5.407 36.374 4.662
228 3HZ LYS 28 3HZ LYS 28 6.213 36.930 6.041
229 H SER 29 H SER 29 9.794 40.971 7.519
230 HA SER 29 HA SER 29 9.131 43.267 9.242
231 1HB SER 29 2HB SER 29 11.367 41.952 9.519
232 2HB SER 29 3HB SER 29 11.861 42.825 8.068
233 HG SER 29 HG SER 29 12.293 43.802 10.240
234 H ALA 30 H ALA 30 9.527 45.393 8.398
235 HA ALA 30 HA ALA 30 9.641 45.551 5.464
236 1HB ALA 30 1HB ALA 30 7.877 47.509 6.770
237 2HB ALA 30 2HB ALA 30 7.680 46.634 5.251
238 3HB ALA 30 3HB ALA 30 7.300 45.842 6.780
239 H HIS 31 H HIS 31 10.445 47.521 4.619
240 HA HIS 31 HA HIS 31 12.456 48.735 6.254
241 1HB HIS 31 2HB HIS 31 11.744 48.675 3.428
242 2HB HIS 31 3HB HIS 31 12.265 50.273 3.951
243 HD1 HIS 31 1HD HIS 31 13.594 46.808 4.814
244 HD2 HIS 31 2HD HIS 31 14.874 50.454 3.287
245 HE1 HIS 31 1HE HIS 31 16.074 46.560 4.473
246 HA PRO 32 HA PRO 32 10.422 52.325 7.738
247 1HB PRO 32 2HB PRO 32 12.327 54.239 7.464
248 2HB PRO 32 3HB PRO 32 12.421 52.957 8.677
249 1HG PRO 32 2HG PRO 32 13.766 53.142 6.009
250 2HG PRO 32 3HG PRO 32 14.432 52.609 7.564
251 1HD PRO 32 2HD PRO 32 13.633 50.869 5.649
252 2HD PRO 32 3HD PRO 32 13.509 50.505 7.382
253 H ALA 33 H ALA 33 10.351 54.873 7.124
254 HA ALA 33 HA ALA 33 8.947 54.960 4.633
255 1HB ALA 33 1HB ALA 33 8.447 56.276 6.778
256 2HB ALA 33 2HB ALA 33 9.708 57.381 6.230
257 3HB ALA 33 3HB ALA 33 8.278 57.112 5.234
258 H ARG 34 H ARG 34 9.918 55.097 2.725
259 HA ARG 34 HA ARG 34 12.585 55.654 2.251
260 1HB ARG 34 2HB ARG 34 10.141 55.775 0.514
261 2HB ARG 34 3HB ARG 34 11.707 56.259 -0.123
262 1HG ARG 34 2HG ARG 34 12.371 53.890 0.945
263 2HG ARG 34 3HG ARG 34 10.678 53.582 0.551
264 1HD ARG 34 2HD ARG 34 12.826 54.538 -1.338
265 2HD ARG 34 3HD ARG 34 12.098 52.934 -1.302
266 HE ARG 34 HE ARG 34 10.051 54.796 -1.646
267 1HH1 ARG 34 2HH1 ARG 34 12.832 53.597 -3.364
268 2HH1 ARG 34 1HH1 ARG 34 12.154 53.894 -4.930
269 1HH2 ARG 34 2HH2 ARG 34 9.149 55.192 -3.704
270 2HH2 ARG 34 1HH2 ARG 34 10.061 54.802 -5.123
271 H PHE 35 H PHE 35 13.781 57.449 2.068
272 HA PHE 35 HA PHE 35 12.481 60.026 1.640
273 1HB PHE 35 2HB PHE 35 13.503 61.077 3.539
274 2HB PHE 35 3HB PHE 35 12.660 59.644 4.118
275 HD1 PHE 35 1HD PHE 35 13.905 57.683 4.862
276 HD2 PHE 35 2HD PHE 35 15.889 61.242 3.631
277 HE1 PHE 35 1HE PHE 35 15.978 56.891 5.925
278 HE2 PHE 35 2HE PHE 35 17.966 60.455 4.691
279 HZ PHE 35 HZ PHE 35 18.012 58.276 5.840
280 H SER 36 H SER 36 13.649 61.365 0.389
281 HA SER 36 HA SER 36 16.498 61.302 0.240
282 1HB SER 36 2HB SER 36 15.728 59.260 -1.119
283 2HB SER 36 3HB SER 36 15.110 60.425 -2.289
284 HG SER 36 HG SER 36 17.771 60.556 -1.362
285 HA PRO 37 HA PRO 37 14.353 65.221 -1.034
286 1HB PRO 37 2HB PRO 37 15.758 66.814 0.657
287 2HB PRO 37 3HB PRO 37 14.279 65.974 1.136
288 1HG PRO 37 2HG PRO 37 17.132 65.219 1.635
289 2HG PRO 37 3HG PRO 37 15.747 65.155 2.742
290 1HD PRO 37 2HD PRO 37 16.692 62.963 1.463
291 2HD PRO 37 3HD PRO 37 14.974 63.170 1.862
292 H ASP 38 H ASP 38 17.790 64.711 -0.259
293 HA ASP 38 HA ASP 38 18.836 66.744 -1.869
294 1HB ASP 38 2HB ASP 38 20.243 64.122 -1.405
295 2HB ASP 38 3HB ASP 38 20.946 65.729 -1.564
296 H ASP 39 H ASP 39 18.160 66.935 -3.930
297 HA ASP 39 HA ASP 39 17.924 64.607 -5.642
298 1HB ASP 39 2HB ASP 39 17.332 67.537 -5.987
299 2HB ASP 39 3HB ASP 39 17.338 66.442 -7.367
300 H LYS 40 H LYS 40 19.710 67.693 -5.805
301 HA LYS 40 HA LYS 40 21.578 66.480 -7.697
302 1HB LYS 40 2HB LYS 40 20.673 68.674 -8.274
303 2HB LYS 40 3HB LYS 40 21.277 69.341 -6.763
304 1HG LYS 40 2HG LYS 40 22.934 70.027 -8.148
305 2HG LYS 40 3HG LYS 40 23.579 68.443 -7.713
306 1HD LYS 40 2HD LYS 40 21.929 67.909 -9.865
307 2HD LYS 40 3HD LYS 40 22.683 69.447 -10.290
308 1HE LYS 40 2HE LYS 40 24.490 67.411 -9.169
309 2HE LYS 40 3HE LYS 40 23.801 67.027 -10.745
310 1HZ LYS 40 1HZ LYS 40 25.873 68.193 -11.011
311 2HZ LYS 40 2HZ LYS 40 25.332 69.474 -10.049
312 3HZ LYS 40 3HZ LYS 40 24.610 69.181 -11.550
313 H TYR 41 H TYR 41 22.178 68.881 -5.154
314 HA TYR 41 HA TYR 41 24.504 67.288 -4.322
315 1HB TYR 41 2HB TYR 41 25.203 69.499 -3.232
316 2HB TYR 41 3HB TYR 41 25.248 69.422 -4.990
317 HD1 TYR 41 1HD TYR 41 23.593 70.633 -6.331
318 HD2 TYR 41 2HD TYR 41 23.630 70.922 -2.086
319 HE1 TYR 41 1HE TYR 41 22.148 72.618 -6.460
320 HE2 TYR 41 2HE TYR 41 22.185 72.908 -2.203
321 HH TYR 41 HH TYR 41 21.410 74.541 -3.630
322 H SER 42 H SER 42 21.796 69.190 -3.045
323 HA SER 42 HA SER 42 21.609 67.423 -0.762
324 1HB SER 42 2HB SER 42 22.076 68.943 0.935
325 2HB SER 42 3HB SER 42 23.285 69.379 -0.274
326 HG SER 42 HG SER 42 22.177 71.210 0.547
327 H ARG 43 H ARG 43 19.901 68.821 0.827
328 HA ARG 43 HA ARG 43 17.468 68.665 -0.642
329 1HB ARG 43 2HB ARG 43 17.867 69.836 2.113
330 2HB ARG 43 3HB ARG 43 16.375 69.200 1.434
331 1HG ARG 43 2HG ARG 43 16.896 67.328 2.524
332 2HG ARG 43 3HG ARG 43 18.053 67.059 1.219
333 1HD ARG 43 2HD ARG 43 19.465 66.859 2.993
334 2HD ARG 43 3HD ARG 43 19.566 68.603 2.755
335 HE ARG 43 HE ARG 43 17.536 68.375 4.503
336 1HH1 ARG 43 2HH1 ARG 43 20.751 67.039 4.447
337 2HH1 ARG 43 1HH1 ARG 43 20.902 66.993 6.173
338 1HH2 ARG 43 2HH2 ARG 43 17.724 68.320 6.776
339 2HH2 ARG 43 1HH2 ARG 43 19.179 67.721 7.496
340 H GLN 44 H GLN 44 19.605 71.253 0.270
341 HA GLN 44 HA GLN 44 17.960 73.464 0.134
342 1HB GLN 44 2HB GLN 44 20.573 73.172 0.524
343 2HB GLN 44 3HB GLN 44 20.635 73.636 -1.171
344 1HG GLN 44 2HG GLN 44 19.132 75.254 0.855
345 2HG GLN 44 3HG GLN 44 20.858 75.475 0.574
346 1HE2 GLN 44 1HE2 GLN 44 18.130 76.908 -0.042
347 2HE2 GLN 44 2HE2 GLN 44 18.388 77.500 -1.644
348 H ARG 45 H ARG 45 19.308 71.546 -2.481
349 HA ARG 45 HA ARG 45 18.739 73.275 -4.614
350 1HB ARG 45 2HB ARG 45 20.056 70.986 -4.484
351 2HB ARG 45 3HB ARG 45 18.503 70.319 -4.970
352 1HG ARG 45 2HG ARG 45 19.455 72.619 -6.544
353 2HG ARG 45 3HG ARG 45 20.394 71.133 -6.694
354 1HD ARG 45 2HD ARG 45 18.869 70.624 -8.270
355 2HD ARG 45 3HD ARG 45 17.884 70.153 -6.886
356 HE ARG 45 HE ARG 45 17.528 72.899 -7.446
357 1HH1 ARG 45 2HH1 ARG 45 16.718 69.737 -8.659
358 2HH1 ARG 45 1HH1 ARG 45 15.253 70.261 -9.420
359 1HH2 ARG 45 2HH2 ARG 45 15.601 73.601 -8.443
360 2HH2 ARG 45 1HH2 ARG 45 14.618 72.460 -9.298
361 H VAL 46 H VAL 46 16.747 70.944 -2.901
362 HA VAL 46 HA VAL 46 14.587 70.801 -4.670
363 HB VAL 46 HB VAL 46 14.540 70.630 -1.653
364 1HG1 VAL 46 1HG1 VAL 46 12.464 69.331 -1.998
365 2HG1 VAL 46 2HG1 VAL 46 12.315 71.013 -2.507
366 3HG1 VAL 46 3HG1 VAL 46 12.523 69.742 -3.712
367 1HG2 VAL 46 1HG2 VAL 46 14.646 68.391 -3.667
368 2HG2 VAL 46 2HG2 VAL 46 16.065 69.037 -2.842
369 3HG2 VAL 46 3HG2 VAL 46 14.779 68.269 -1.912
370 H THR 47 H THR 47 15.304 73.102 -2.085
371 HA THR 47 HA THR 47 12.877 74.489 -2.076
372 HB THR 47 HB THR 47 15.421 75.998 -1.651
373 HG1 THR 47 1HG THR 47 14.491 74.309 0.397
374 1HG2 THR 47 1HG2 THR 47 13.817 76.326 0.538
375 2HG2 THR 47 2HG2 THR 47 12.633 76.072 -0.745
376 3HG2 THR 47 3HG2 THR 47 13.815 77.372 -0.882
377 H LEU 48 H LEU 48 12.350 76.575 -2.960
378 HA LEU 48 HA LEU 48 12.662 76.774 -5.712
379 1HB LEU 48 2HB LEU 48 11.483 78.769 -5.594
380 2HB LEU 48 3HB LEU 48 10.948 77.883 -4.167
381 HG LEU 48 HG LEU 48 13.016 80.080 -4.149
382 1HD1 LEU 48 1HD1 LEU 48 11.174 81.346 -2.980
383 2HD1 LEU 48 2HD1 LEU 48 10.066 80.107 -3.568
384 3HD1 LEU 48 3HD1 LEU 48 10.962 81.104 -4.714
385 1HD2 LEU 48 1HD2 LEU 48 13.467 78.797 -2.279
386 2HD2 LEU 48 2HD2 LEU 48 11.777 78.347 -2.051
387 3HD2 LEU 48 3HD2 LEU 48 12.317 79.978 -1.652
388 H LYS 49 H LYS 49 13.911 78.063 -7.058
389 HA LYS 49 HA LYS 49 16.349 79.158 -5.817
390 1HB LYS 49 2HB LYS 49 15.899 77.809 -8.471
391 2HB LYS 49 3HB LYS 49 17.321 78.798 -8.166
392 1HG LYS 49 2HG LYS 49 17.968 77.341 -6.334
393 2HG LYS 49 3HG LYS 49 16.517 76.367 -6.580
394 1HD LYS 49 2HD LYS 49 18.017 75.119 -7.767
395 2HD LYS 49 3HD LYS 49 17.476 76.214 -9.042
396 1HE LYS 49 2HE LYS 49 19.416 77.700 -8.435
397 2HE LYS 49 3HE LYS 49 19.993 76.397 -7.396
398 1HZ LYS 49 1HZ LYS 49 19.472 75.230 -9.836
399 2HZ LYS 49 2HZ LYS 49 20.992 75.570 -9.176
400 3HZ LYS 49 3HZ LYS 49 20.249 76.687 -10.206
401 H LYS 50 H LYS 50 13.795 80.542 -6.247
402 HA LYS 50 HA LYS 50 14.091 82.301 -8.480
403 1HB LYS 50 2HB LYS 50 12.274 82.137 -6.114
404 2HB LYS 50 3HB LYS 50 12.357 83.651 -7.006
405 1HG LYS 50 2HG LYS 50 10.582 82.540 -7.994
406 2HG LYS 50 3HG LYS 50 11.927 82.205 -9.088
407 1HD LYS 50 2HD LYS 50 12.155 80.005 -8.314
408 2HD LYS 50 3HD LYS 50 11.212 80.327 -6.857
409 1HE LYS 50 2HE LYS 50 9.188 80.449 -8.096
410 2HE LYS 50 3HE LYS 50 10.053 80.462 -9.632
411 1HZ LYS 50 1HZ LYS 50 10.189 78.252 -9.644
412 2HZ LYS 50 2HZ LYS 50 9.006 78.269 -8.436
413 3HZ LYS 50 3HZ LYS 50 10.641 78.161 -8.016
414 H ARG 51 H ARG 51 15.591 83.823 -8.627
415 HA ARG 51 HA ARG 51 16.145 85.500 -6.293
416 1HB ARG 51 2HB ARG 51 17.875 83.572 -6.703
417 2HB ARG 51 3HB ARG 51 18.443 84.618 -7.998
418 1HG ARG 51 2HG ARG 51 18.865 86.401 -6.408
419 2HG ARG 51 3HG ARG 51 18.234 85.399 -5.098
420 1HD ARG 51 2HD ARG 51 20.603 84.670 -6.813
421 2HD ARG 51 3HD ARG 51 20.720 85.449 -5.236
422 HE ARG 51 HE ARG 51 19.214 83.209 -4.797
423 1HH1 ARG 51 2HH1 ARG 51 22.370 83.852 -6.119
424 2HH1 ARG 51 1HH1 ARG 51 23.037 82.338 -5.606
425 1HH2 ARG 51 2HH2 ARG 51 20.081 81.213 -4.116
426 2HH2 ARG 51 1HH2 ARG 51 21.734 80.837 -4.466
427 H PHE 52 H PHE 52 17.281 87.515 -6.874
428 HA PHE 52 HA PHE 52 17.378 89.448 -8.069
429 1HB PHE 52 2HB PHE 52 17.784 87.454 -10.300
430 2HB PHE 52 3HB PHE 52 17.933 89.194 -10.522
431 HD1 PHE 52 1HD PHE 52 19.300 86.325 -8.615
432 HD2 PHE 52 2HD PHE 52 19.926 90.296 -10.014
433 HE1 PHE 52 1HE PHE 52 21.645 86.210 -7.882
434 HE2 PHE 52 2HE PHE 52 22.272 90.187 -9.283
435 HZ PHE 52 HZ PHE 52 23.136 88.142 -8.216
436 H GLY 53 H GLY 53 14.810 88.587 -7.448
437 1HA GLY 53 2HA GLY 53 13.159 88.814 -9.822
438 2HA GLY 53 3HA GLY 53 12.594 88.612 -8.169
439 H LEU 54 H LEU 54 14.470 91.057 -9.971
440 HA LEU 54 HA LEU 54 13.371 93.204 -8.438
441 1HB LEU 54 2HB LEU 54 15.042 93.100 -10.935
442 2HB LEU 54 3HB LEU 54 14.496 94.615 -10.221
443 HG LEU 54 HG LEU 54 16.023 92.689 -8.530
444 1HD1 LEU 54 1HD1 LEU 54 17.413 94.673 -10.303
445 2HD1 LEU 54 2HD1 LEU 54 17.192 92.987 -10.772
446 3HD1 LEU 54 3HD1 LEU 54 18.115 93.386 -9.323
447 1HD2 LEU 54 1HD2 LEU 54 16.526 95.591 -8.518
448 2HD2 LEU 54 2HD2 LEU 54 16.322 94.465 -7.176
449 3HD2 LEU 54 3HD2 LEU 54 14.909 95.092 -8.025
450 H VAL 55 H VAL 55 12.604 91.673 -11.480
451 HA VAL 55 HA VAL 55 10.852 91.896 -12.916
452 HB VAL 55 HB VAL 55 9.535 93.500 -10.724
453 1HG1 VAL 55 1HG1 VAL 55 8.719 92.903 -13.334
454 2HG1 VAL 55 2HG1 VAL 55 7.803 91.821 -12.285
455 3HG1 VAL 55 3HG1 VAL 55 7.736 93.565 -12.028
456 1HG2 VAL 55 1HG2 VAL 55 10.010 90.586 -11.033
457 2HG2 VAL 55 2HG2 VAL 55 9.929 91.570 -9.571
458 3HG2 VAL 55 3HG2 VAL 55 8.446 91.104 -10.404
459 HA PRO 56 HA PRO 56 12.334 96.198 -13.945
460 1HB PRO 56 2HB PRO 56 13.462 95.509 -16.317
461 2HB PRO 56 3HB PRO 56 14.330 95.425 -14.780
462 1HG PRO 56 2HG PRO 56 12.990 93.236 -16.321
463 2HG PRO 56 3HG PRO 56 14.560 93.225 -15.497
464 1HD PRO 56 2HD PRO 56 12.336 92.126 -14.410
465 2HD PRO 56 3HD PRO 56 13.613 92.871 -13.426
466 H GLY 57 H GLY 57 10.594 97.316 -14.591
467 1HA GLY 57 2HA GLY 57 9.263 96.457 -17.083
468 2HA GLY 57 3HA GLY 57 8.340 97.012 -15.694
469 H GLN 58 H GLN 58 7.542 98.963 -16.065
470 HA GLN 58 HA GLN 58 8.732 100.769 -17.941
471 1HB GLN 58 2HB GLN 58 6.227 100.524 -16.532
472 2HB GLN 58 3HB GLN 58 6.833 102.171 -16.415
473 1HG GLN 58 2HG GLN 58 6.683 102.537 -18.673
474 2HG GLN 58 3HG GLN 58 6.812 100.823 -19.068
475 1HE2 GLN 58 1HE2 GLN 58 4.698 103.388 -18.074
476 2HE2 GLN 58 2HE2 GLN 58 3.213 102.546 -18.347
Start of MODEL 8
1 1H HIS 2 H HIS 2 12.384 21.947 26.088
2 HA HIS 2 HA HIS 2 10.089 20.783 25.015
3 1HB HIS 2 2HB HIS 2 10.962 22.592 23.217
4 2HB HIS 2 3HB HIS 2 11.919 21.199 22.720
5 HD1 HIS 2 1HD HIS 2 8.253 21.696 23.655
6 HD2 HIS 2 2HD HIS 2 10.623 19.880 20.766
7 HE1 HIS 2 1HE HIS 2 6.647 20.596 22.063
8 H LEU 3 H LEU 3 10.764 18.797 23.547
9 HA LEU 3 HA LEU 3 13.170 17.618 24.775
10 1HB LEU 3 2HB LEU 3 10.876 15.985 23.769
11 2HB LEU 3 3HB LEU 3 12.110 15.559 24.952
12 HG LEU 3 HG LEU 3 9.776 17.422 25.381
13 1HD1 LEU 3 1HD1 LEU 3 8.895 15.284 25.483
14 2HD1 LEU 3 2HD1 LEU 3 9.325 15.603 27.164
15 3HD1 LEU 3 3HD1 LEU 3 10.371 14.596 26.163
16 1HD2 LEU 3 1HD2 LEU 3 10.782 16.960 27.836
17 2HD2 LEU 3 2HD2 LEU 3 11.193 18.369 26.858
18 3HD2 LEU 3 3HD2 LEU 3 12.269 16.971 26.888
19 H MET 4 H MET 4 14.210 15.901 23.491
20 HA MET 4 HA MET 4 14.143 16.588 20.635
21 1HB MET 4 2HB MET 4 16.333 15.100 22.077
22 2HB MET 4 3HB MET 4 16.410 15.856 20.492
23 1HG MET 4 2HG MET 4 16.175 17.265 23.140
24 2HG MET 4 3HG MET 4 17.605 17.179 22.114
25 1HE MET 4 1HE MET 4 16.138 19.946 23.267
26 2HE MET 4 2HE MET 4 14.863 20.558 22.213
27 3HE MET 4 3HE MET 4 14.605 19.083 23.145
28 H TYR 5 H TYR 5 12.362 14.675 22.100
29 HA TYR 5 HA TYR 5 12.402 12.599 20.140
30 1HB TYR 5 2HB TYR 5 12.800 10.706 21.586
31 2HB TYR 5 3HB TYR 5 14.170 11.804 21.708
32 HD1 TYR 5 1HD TYR 5 11.682 10.002 23.511
33 HD2 TYR 5 2HD TYR 5 14.198 13.427 23.705
34 HE1 TYR 5 1HE TYR 5 11.414 10.052 25.956
35 HE2 TYR 5 2HE TYR 5 13.938 13.487 26.150
36 HH TYR 5 HH TYR 5 12.479 12.715 27.865
37 H THR 6 H THR 6 10.378 11.946 19.800
38 HA THR 6 HA THR 6 8.291 12.869 21.590
39 HB THR 6 HB THR 6 6.725 12.125 19.864
40 HG1 THR 6 1HG THR 6 7.521 11.146 17.975
41 1HG2 THR 6 1HG2 THR 6 7.370 14.285 19.381
42 2HG2 THR 6 2HG2 THR 6 7.841 13.458 17.896
43 3HG2 THR 6 3HG2 THR 6 9.055 13.836 19.118
44 H LEU 7 H LEU 7 6.718 11.543 22.549
45 HA LEU 7 HA LEU 7 7.650 8.820 23.093
46 1HB LEU 7 2HB LEU 7 5.588 10.493 24.520
47 2HB LEU 7 3HB LEU 7 6.133 8.892 25.013
48 HG LEU 7 HG LEU 7 7.711 11.459 25.044
49 1HD1 LEU 7 1HD1 LEU 7 6.306 11.304 26.942
50 2HD1 LEU 7 2HD1 LEU 7 7.915 10.816 27.472
51 3HD1 LEU 7 3HD1 LEU 7 6.679 9.595 27.168
52 1HD2 LEU 7 1HD2 LEU 7 9.523 10.213 24.687
53 2HD2 LEU 7 2HD2 LEU 7 8.616 8.708 24.830
54 3HD2 LEU 7 3HD2 LEU 7 9.228 9.510 26.278
55 H GLY 8 H GLY 8 6.198 7.040 23.057
56 1HA GLY 8 2HA GLY 8 4.151 7.322 20.992
57 2HA GLY 8 3HA GLY 8 4.816 5.812 21.597
58 HA PRO 9 HA PRO 9 0.567 6.641 23.430
59 1HB PRO 9 2HB PRO 9 -0.626 4.415 22.435
60 2HB PRO 9 3HB PRO 9 -0.582 5.952 21.563
61 1HG PRO 9 2HG PRO 9 1.151 3.535 21.229
62 2HG PRO 9 3HG PRO 9 0.414 4.563 19.987
63 1HD PRO 9 2HD PRO 9 3.013 4.789 20.712
64 2HD PRO 9 3HD PRO 9 2.046 6.179 20.179
65 H ASP 10 H ASP 10 3.010 4.295 23.504
66 HA ASP 10 HA ASP 10 1.733 2.810 25.688
67 1HB ASP 10 2HB ASP 10 3.397 1.109 25.352
68 2HB ASP 10 3HB ASP 10 2.747 1.546 23.774
69 H GLY 11 H GLY 11 4.116 5.185 25.042
70 1HA GLY 11 2HA GLY 11 4.860 6.533 26.926
71 2HA GLY 11 3HA GLY 11 4.968 5.052 27.865
72 H LYS 12 H LYS 12 6.075 4.384 24.822
73 HA LYS 12 HA LYS 12 8.803 4.257 25.724
74 1HB LYS 12 2HB LYS 12 7.287 3.353 23.330
75 2HB LYS 12 3HB LYS 12 9.022 3.580 23.149
76 1HG LYS 12 2HG LYS 12 7.952 1.963 25.420
77 2HG LYS 12 3HG LYS 12 8.096 1.256 23.809
78 1HD LYS 12 2HD LYS 12 10.467 1.749 23.770
79 2HD LYS 12 3HD LYS 12 10.348 2.576 25.325
80 1HE LYS 12 2HE LYS 12 9.642 0.460 26.366
81 2HE LYS 12 3HE LYS 12 9.826 -0.351 24.812
82 1HZ LYS 12 1HZ LYS 12 12.183 1.076 25.477
83 2HZ LYS 12 2HZ LYS 12 11.987 -0.577 25.170
84 3HZ LYS 12 3HZ LYS 12 11.767 0.023 26.736
85 H ARG 13 H ARG 13 10.605 5.110 24.403
86 HA ARG 13 HA ARG 13 9.953 7.799 23.392
87 1HB ARG 13 2HB ARG 13 12.456 8.201 23.895
88 2HB ARG 13 3HB ARG 13 11.329 8.135 25.245
89 1HG ARG 13 2HG ARG 13 12.658 5.610 24.436
90 2HG ARG 13 3HG ARG 13 13.629 6.832 25.262
91 1HD ARG 13 2HD ARG 13 12.555 6.543 27.226
92 2HD ARG 13 3HD ARG 13 10.993 6.285 26.453
93 HE ARG 13 HE ARG 13 12.647 4.068 25.958
94 1HH1 ARG 13 2HH1 ARG 13 10.924 5.610 28.560
95 2HH1 ARG 13 1HH1 ARG 13 10.686 4.142 29.448
96 1HH2 ARG 13 2HH2 ARG 13 12.341 2.127 27.116
97 2HH2 ARG 13 1HH2 ARG 13 11.492 2.161 28.626
98 H ILE 14 H ILE 14 10.887 8.532 21.489
99 HA ILE 14 HA ILE 14 12.552 6.677 19.964
100 HB ILE 14 HB ILE 14 10.006 7.864 18.854
101 1HG1 ILE 14 2HG1 ILE 14 10.704 4.965 19.358
102 2HG1 ILE 14 3HG1 ILE 14 9.689 5.937 20.417
103 1HG2 ILE 14 1HG2 ILE 14 10.962 7.619 16.864
104 2HG2 ILE 14 2HG2 ILE 14 12.396 6.898 17.592
105 3HG2 ILE 14 3HG2 ILE 14 11.023 5.881 17.157
106 1HD1 ILE 14 1HD1 ILE 14 7.972 5.208 19.222
107 2HD1 ILE 14 2HD1 ILE 14 8.546 6.252 17.921
108 3HD1 ILE 14 3HD1 ILE 14 9.028 4.556 17.968
109 H TYR 15 H TYR 15 14.305 7.948 19.775
110 HA TYR 15 HA TYR 15 14.430 10.701 19.675
111 1HB TYR 15 2HB TYR 15 16.226 8.503 18.783
112 2HB TYR 15 3HB TYR 15 16.587 10.125 18.204
113 HD1 TYR 15 1HD TYR 15 15.294 8.949 21.501
114 HD2 TYR 15 2HD TYR 15 18.448 10.858 19.377
115 HE1 TYR 15 1HE TYR 15 16.416 9.454 23.632
116 HE2 TYR 15 2HE TYR 15 19.579 11.367 21.501
117 HH TYR 15 HH TYR 15 19.618 10.932 23.717
118 H THR 16 H THR 16 13.267 11.939 18.347
119 HA THR 16 HA THR 16 13.564 11.518 15.459
120 HB THR 16 HB THR 16 11.367 10.571 16.168
121 HG1 THR 16 1HG THR 16 11.783 11.663 14.073
122 1HG2 THR 16 1HG2 THR 16 10.058 11.660 17.603
123 2HG2 THR 16 2HG2 THR 16 9.936 13.017 16.483
124 3HG2 THR 16 3HG2 THR 16 11.237 12.970 17.673
125 H LEU 17 H LEU 17 14.743 13.393 17.401
126 HA LEU 17 HA LEU 17 13.640 15.916 17.414
127 1HB LEU 17 2HB LEU 17 15.555 15.641 18.697
128 2HB LEU 17 3HB LEU 17 16.464 14.935 17.363
129 HG LEU 17 HG LEU 17 16.747 17.092 16.341
130 1HD1 LEU 17 1HD1 LEU 17 14.867 18.353 16.643
131 2HD1 LEU 17 2HD1 LEU 17 15.925 19.089 17.846
132 3HD1 LEU 17 3HD1 LEU 17 14.709 17.913 18.343
133 1HD2 LEU 17 1HD2 LEU 17 18.042 18.239 18.091
134 2HD2 LEU 17 2HD2 LEU 17 18.360 16.504 18.051
135 3HD2 LEU 17 3HD2 LEU 17 17.316 17.182 19.302
136 H LYS 18 H LYS 18 12.908 17.104 15.790
137 HA LYS 18 HA LYS 18 13.358 16.685 13.091
138 1HB LYS 18 2HB LYS 18 12.523 19.032 12.790
139 2HB LYS 18 3HB LYS 18 11.493 18.011 13.784
140 1HG LYS 18 2HG LYS 18 12.691 19.036 15.784
141 2HG LYS 18 3HG LYS 18 13.310 20.235 14.647
142 1HD LYS 18 2HD LYS 18 11.379 21.223 15.522
143 2HD LYS 18 3HD LYS 18 10.858 20.568 13.968
144 1HE LYS 18 2HE LYS 18 9.181 20.005 15.550
145 2HE LYS 18 3HE LYS 18 10.079 18.526 15.210
146 1HZ LYS 18 1HZ LYS 18 11.372 19.703 17.334
147 2HZ LYS 18 2HZ LYS 18 10.365 18.344 17.388
148 3HZ LYS 18 3HZ LYS 18 9.725 19.882 17.682
149 H LYS 19 H LYS 19 15.344 16.603 12.230
150 HA LYS 19 HA LYS 19 17.604 17.988 13.068
151 1HB LYS 19 2HB LYS 19 17.563 16.015 11.526
152 2HB LYS 19 3HB LYS 19 17.023 17.088 10.242
153 1HG LYS 19 2HG LYS 19 19.158 18.441 10.819
154 2HG LYS 19 3HG LYS 19 19.683 16.943 11.590
155 1HD LYS 19 2HD LYS 19 19.306 15.746 9.470
156 2HD LYS 19 3HD LYS 19 18.838 17.268 8.709
157 1HE LYS 19 2HE LYS 19 21.531 16.581 9.883
158 2HE LYS 19 3HE LYS 19 21.139 16.767 8.174
159 1HZ LYS 19 1HZ LYS 19 21.955 18.821 8.574
160 2HZ LYS 19 2HZ LYS 19 21.553 18.804 10.217
161 3HZ LYS 19 3HZ LYS 19 20.362 19.122 9.058
162 H VAL 20 H VAL 20 18.379 19.988 12.759
163 HA VAL 20 HA VAL 20 17.185 21.678 10.682
164 HB VAL 20 HB VAL 20 15.997 22.160 12.801
165 1HG1 VAL 20 1HG1 VAL 20 18.729 22.989 13.775
166 2HG1 VAL 20 2HG1 VAL 20 17.209 23.289 14.619
167 3HG1 VAL 20 3HG1 VAL 20 17.771 21.635 14.373
168 1HG2 VAL 20 1HG2 VAL 20 16.123 24.527 12.634
169 2HG2 VAL 20 2HG2 VAL 20 17.774 24.462 12.016
170 3HG2 VAL 20 3HG2 VAL 20 16.437 23.884 11.021
171 H THR 21 H THR 21 18.532 23.269 9.865
172 HA THR 21 HA THR 21 21.299 23.269 10.879
173 HB THR 21 HB THR 21 21.270 22.007 8.810
174 HG1 THR 21 1HG THR 21 22.829 23.215 7.744
175 1HG2 THR 21 1HG2 THR 21 20.635 23.246 6.681
176 2HG2 THR 21 2HG2 THR 21 19.824 24.414 7.724
177 3HG2 THR 21 3HG2 THR 21 19.303 22.729 7.715
178 H GLU 22 H GLU 22 22.539 25.212 10.329
179 HA GLU 22 HA GLU 22 21.140 27.566 10.982
180 1HB GLU 22 2HB GLU 22 23.918 27.068 9.929
181 2HB GLU 22 3HB GLU 22 23.330 28.689 10.270
182 1HG GLU 22 2HG GLU 22 23.037 28.173 12.582
183 2HG GLU 22 3HG GLU 22 23.386 26.469 12.296
184 H SER 23 H SER 23 20.075 28.991 9.773
185 HA SER 23 HA SER 23 19.605 28.534 7.022
186 1HB SER 23 2HB SER 23 19.064 31.139 8.445
187 2HB SER 23 3HB SER 23 18.176 30.425 7.099
188 HG SER 23 HG SER 23 16.998 30.035 8.929
189 H GLY 24 H GLY 24 21.478 31.031 8.732
190 1HA GLY 24 2HA GLY 24 23.698 31.331 7.411
191 2HA GLY 24 3HA GLY 24 22.602 31.893 6.158
192 H GLU 25 H GLU 25 22.476 32.447 9.660
193 HA GLU 25 HA GLU 25 22.420 35.327 9.115
194 1HB GLU 25 2HB GLU 25 20.639 34.019 10.518
195 2HB GLU 25 3HB GLU 25 21.841 34.126 11.798
196 1HG GLU 25 2HG GLU 25 20.881 36.542 10.304
197 2HG GLU 25 3HG GLU 25 20.050 35.920 11.729
198 H ILE 26 H ILE 26 24.211 36.455 9.415
199 HA ILE 26 HA ILE 26 26.234 35.424 11.290
200 HB ILE 26 HB ILE 26 27.020 35.569 8.974
201 1HG1 ILE 26 2HG1 ILE 26 28.321 37.781 10.561
202 2HG1 ILE 26 3HG1 ILE 26 28.495 36.085 10.997
203 1HG2 ILE 26 1HG2 ILE 26 27.164 38.456 8.797
204 2HG2 ILE 26 2HG2 ILE 26 26.584 37.280 7.619
205 3HG2 ILE 26 3HG2 ILE 26 25.499 37.881 8.873
206 1HD1 ILE 26 1HD1 ILE 26 30.105 35.824 9.507
207 2HD1 ILE 26 2HD1 ILE 26 29.077 36.446 8.216
208 3HD1 ILE 26 3HD1 ILE 26 30.036 37.557 9.193
209 H THR 27 H THR 27 27.207 36.803 12.765
210 HA THR 27 HA THR 27 25.944 39.449 13.074
211 HB THR 27 HB THR 27 26.147 39.190 15.522
212 HG1 THR 27 1HG THR 27 27.798 37.631 15.608
213 1HG2 THR 27 1HG2 THR 27 24.279 37.695 15.826
214 2HG2 THR 27 2HG2 THR 27 24.600 36.917 14.277
215 3HG2 THR 27 3HG2 THR 27 24.050 38.591 14.326
216 H LYS 28 H LYS 28 27.283 41.136 13.303
217 HA LYS 28 HA LYS 28 30.149 40.625 13.263
218 1HB LYS 28 2HB LYS 28 28.385 42.926 12.588
219 2HB LYS 28 3HB LYS 28 30.032 43.286 13.092
220 1HG LYS 28 2HG LYS 28 30.221 43.153 10.798
221 2HG LYS 28 3HG LYS 28 30.707 41.537 11.313
222 1HD LYS 28 2HD LYS 28 28.658 40.594 10.661
223 2HD LYS 28 3HD LYS 28 27.865 42.169 10.570
224 1HE LYS 28 2HE LYS 28 29.576 42.679 8.714
225 2HE LYS 28 3HE LYS 28 29.840 40.937 8.677
226 1HZ LYS 28 1HZ LYS 28 27.862 40.572 7.710
227 2HZ LYS 28 2HZ LYS 28 27.981 42.191 7.234
228 3HZ LYS 28 3HZ LYS 28 27.067 41.774 8.595
229 H SER 29 H SER 29 31.457 40.884 14.955
230 HA SER 29 HA SER 29 30.311 41.887 17.450
231 1HB SER 29 2HB SER 29 32.195 40.816 18.551
232 2HB SER 29 3HB SER 29 31.449 39.674 17.433
233 HG SER 29 HG SER 29 33.174 39.745 16.178
234 H ALA 30 H ALA 30 30.517 44.006 17.746
235 HA ALA 30 HA ALA 30 33.171 45.205 17.393
236 1HB ALA 30 1HB ALA 30 32.532 46.705 15.876
237 2HB ALA 30 2HB ALA 30 31.099 45.704 15.642
238 3HB ALA 30 3HB ALA 30 31.045 47.075 16.751
239 H HIS 31 H HIS 31 33.526 47.121 18.668
240 HA HIS 31 HA HIS 31 31.762 47.245 21.024
241 1HB HIS 31 2HB HIS 31 33.881 48.186 22.149
242 2HB HIS 31 3HB HIS 31 33.828 46.459 21.811
243 HD1 HIS 31 1HD HIS 31 35.758 45.539 20.547
244 HD2 HIS 31 2HD HIS 31 35.428 49.658 20.114
245 HE1 HIS 31 1HE HIS 31 37.793 46.243 19.249
246 HA PRO 32 HA PRO 32 30.947 51.494 20.302
247 1HB PRO 32 2HB PRO 32 30.867 52.484 22.828
248 2HB PRO 32 3HB PRO 32 29.603 51.443 22.163
249 1HG PRO 32 2HG PRO 32 31.890 50.734 23.959
250 2HG PRO 32 3HG PRO 32 30.199 50.207 24.041
251 1HD PRO 32 2HD PRO 32 32.158 48.656 22.999
252 2HD PRO 32 3HD PRO 32 30.485 48.609 22.405
253 H ALA 33 H ALA 33 31.796 53.661 20.471
254 HA ALA 33 HA ALA 33 34.328 54.139 21.731
255 1HB ALA 33 1HB ALA 33 34.503 54.491 18.790
256 2HB ALA 33 2HB ALA 33 35.767 54.133 19.967
257 3HB ALA 33 3HB ALA 33 34.671 52.858 19.436
258 H ARG 34 H ARG 34 35.234 56.343 20.667
259 HA ARG 34 HA ARG 34 33.383 58.185 19.626
260 1HB ARG 34 2HB ARG 34 32.217 58.078 21.705
261 2HB ARG 34 3HB ARG 34 33.712 58.191 22.624
262 1HG ARG 34 2HG ARG 34 34.002 60.475 22.025
263 2HG ARG 34 3HG ARG 34 32.686 60.393 20.853
264 1HD ARG 34 2HD ARG 34 32.222 59.815 23.758
265 2HD ARG 34 3HD ARG 34 32.226 61.469 23.146
266 HE ARG 34 HE ARG 34 30.514 59.929 21.552
267 1HH1 ARG 34 2HH1 ARG 34 30.727 61.179 24.794
268 2HH1 ARG 34 1HH1 ARG 34 29.010 61.274 25.009
269 1HH2 ARG 34 2HH2 ARG 34 28.253 60.050 21.823
270 2HH2 ARG 34 1HH2 ARG 34 27.604 60.631 23.319
271 H PHE 35 H PHE 35 34.316 60.189 19.197
272 HA PHE 35 HA PHE 35 36.900 60.860 20.301
273 1HB PHE 35 2HB PHE 35 38.112 60.859 18.214
274 2HB PHE 35 3HB PHE 35 37.431 59.254 18.466
275 HD1 PHE 35 1HD PHE 35 37.640 62.072 16.279
276 HD2 PHE 35 2HD PHE 35 35.299 58.652 17.244
277 HE1 PHE 35 1HE PHE 35 36.569 62.185 14.067
278 HE2 PHE 35 2HE PHE 35 34.225 58.759 15.033
279 HZ PHE 35 HZ PHE 35 34.861 60.527 13.441
280 H SER 36 H SER 36 37.453 63.014 20.016
281 HA SER 36 HA SER 36 35.250 64.740 19.278
282 1HB SER 36 2HB SER 36 36.144 65.861 21.012
283 2HB SER 36 3HB SER 36 37.650 64.949 20.917
284 HG SER 36 HG SER 36 38.475 66.703 20.130
285 HA PRO 37 HA PRO 37 36.596 65.989 15.294
286 1HB PRO 37 2HB PRO 37 36.057 68.650 15.302
287 2HB PRO 37 3HB PRO 37 34.794 67.414 15.238
288 1HG PRO 37 2HG PRO 37 35.793 68.981 17.585
289 2HG PRO 37 3HG PRO 37 34.125 68.578 17.136
290 1HD PRO 37 2HD PRO 37 35.488 67.223 19.043
291 2HD PRO 37 3HD PRO 37 34.272 66.449 18.007
292 H ASP 38 H ASP 38 37.646 68.313 17.789
293 HA ASP 38 HA ASP 38 40.364 68.166 16.746
294 1HB ASP 38 2HB ASP 38 38.980 70.127 15.703
295 2HB ASP 38 3HB ASP 38 39.229 70.892 17.270
296 H ASP 39 H ASP 39 41.899 69.398 18.198
297 HA ASP 39 HA ASP 39 41.274 68.714 20.942
298 1HB ASP 39 2HB ASP 39 43.755 69.521 19.468
299 2HB ASP 39 3HB ASP 39 43.714 69.631 21.225
300 H LYS 40 H LYS 40 41.382 71.523 18.956
301 HA LYS 40 HA LYS 40 41.690 73.414 21.098
302 1HB LYS 40 2HB LYS 40 42.099 73.597 18.450
303 2HB LYS 40 3HB LYS 40 40.469 74.255 18.525
304 1HG LYS 40 2HG LYS 40 42.032 76.058 18.639
305 2HG LYS 40 3HG LYS 40 41.260 75.886 20.218
306 1HD LYS 40 2HD LYS 40 43.176 75.176 21.228
307 2HD LYS 40 3HD LYS 40 43.789 74.401 19.766
308 1HE LYS 40 2HE LYS 40 45.202 76.246 20.142
309 2HE LYS 40 3HE LYS 40 44.120 76.740 18.841
310 1HZ LYS 40 1HZ LYS 40 44.506 78.400 20.681
311 2HZ LYS 40 2HZ LYS 40 43.580 77.393 21.677
312 3HZ LYS 40 3HZ LYS 40 42.889 78.083 20.296
313 H TYR 41 H TYR 41 39.201 71.429 20.209
314 HA TYR 41 HA TYR 41 36.903 72.952 20.222
315 1HB TYR 41 2HB TYR 41 35.721 70.985 20.788
316 2HB TYR 41 3HB TYR 41 37.142 70.429 19.910
317 HD1 TYR 41 1HD TYR 41 39.260 70.086 21.616
318 HD2 TYR 41 2HD TYR 41 35.139 69.698 22.600
319 HE1 TYR 41 1HE TYR 41 39.854 68.617 23.498
320 HE2 TYR 41 2HE TYR 41 35.721 68.230 24.485
321 HH TYR 41 HH TYR 41 38.934 67.852 25.596
322 H SER 42 H SER 42 39.001 72.116 22.877
323 HA SER 42 HA SER 42 37.378 72.534 25.068
324 1HB SER 42 2HB SER 42 39.755 71.768 25.145
325 2HB SER 42 3HB SER 42 40.261 73.428 24.831
326 HG SER 42 HG SER 42 38.523 72.884 26.969
327 H ARG 43 H ARG 43 36.363 74.229 25.926
328 HA ARG 43 HA ARG 43 36.544 76.795 24.608
329 1HB ARG 43 2HB ARG 43 34.853 75.946 26.967
330 2HB ARG 43 3HB ARG 43 34.670 77.432 26.044
331 1HG ARG 43 2HG ARG 43 34.390 75.783 24.029
332 2HG ARG 43 3HG ARG 43 33.962 74.640 25.304
333 1HD ARG 43 2HD ARG 43 31.941 75.640 24.544
334 2HD ARG 43 3HD ARG 43 32.300 76.324 26.129
335 HE ARG 43 HE ARG 43 33.364 77.948 24.062
336 1HH1 ARG 43 2HH1 ARG 43 30.381 77.093 25.640
337 2HH1 ARG 43 1HH1 ARG 43 29.609 78.605 25.288
338 1HH2 ARG 43 2HH2 ARG 43 32.359 79.942 23.592
339 2HH2 ARG 43 1HH2 ARG 43 30.736 80.223 24.122
340 H GLN 44 H GLN 44 38.047 75.293 27.226
341 HA GLN 44 HA GLN 44 38.337 77.333 29.095
342 1HB GLN 44 2HB GLN 44 40.152 76.108 29.981
343 2HB GLN 44 3HB GLN 44 39.071 74.906 29.290
344 1HG GLN 44 2HG GLN 44 40.538 75.018 27.214
345 2HG GLN 44 3HG GLN 44 41.691 75.891 28.221
346 1HE2 GLN 44 1HE2 GLN 44 42.855 73.851 27.382
347 2HE2 GLN 44 2HE2 GLN 44 42.843 72.500 28.458
348 H ARG 45 H ARG 45 39.739 76.967 25.960
349 HA ARG 45 HA ARG 45 42.057 78.472 26.158
350 1HB ARG 45 2HB ARG 45 41.507 77.261 24.136
351 2HB ARG 45 3HB ARG 45 40.094 78.273 23.871
352 1HG ARG 45 2HG ARG 45 42.668 79.691 24.073
353 2HG ARG 45 3HG ARG 45 42.458 78.655 22.660
354 1HD ARG 45 2HD ARG 45 40.787 79.938 21.795
355 2HD ARG 45 3HD ARG 45 40.211 80.449 23.382
356 HE ARG 45 HE ARG 45 42.746 81.570 22.904
357 1HH1 ARG 45 2HH1 ARG 45 39.443 81.820 21.833
358 2HH1 ARG 45 1HH1 ARG 45 39.576 83.490 21.390
359 1HH2 ARG 45 2HH2 ARG 45 42.933 83.768 22.326
360 2HH2 ARG 45 1HH2 ARG 45 41.562 84.597 21.671
361 H VAL 46 H VAL 46 38.742 79.490 26.211
362 HA VAL 46 HA VAL 46 38.881 82.130 25.427
363 HB VAL 46 HB VAL 46 37.255 80.977 27.697
364 1HG1 VAL 46 1HG1 VAL 46 37.369 83.387 27.893
365 2HG1 VAL 46 2HG1 VAL 46 36.939 83.572 26.191
366 3HG1 VAL 46 3HG1 VAL 46 35.767 82.909 27.331
367 1HG2 VAL 46 1HG2 VAL 46 35.930 80.066 26.161
368 2HG2 VAL 46 2HG2 VAL 46 35.810 81.592 25.284
369 3HG2 VAL 46 3HG2 VAL 46 37.141 80.483 24.947
370 H THR 47 H THR 47 39.771 80.706 28.532
371 HA THR 47 HA THR 47 40.125 82.964 30.071
372 HB THR 47 HB THR 47 40.395 80.600 30.861
373 HG1 THR 47 1HG THR 47 41.125 81.806 32.450
374 1HG2 THR 47 1HG2 THR 47 42.090 79.277 30.216
375 2HG2 THR 47 2HG2 THR 47 43.273 80.577 30.350
376 3HG2 THR 47 3HG2 THR 47 42.297 80.420 28.890
377 H LEU 48 H LEU 48 42.306 83.843 30.807
378 HA LEU 48 HA LEU 48 44.108 85.149 30.342
379 1HB LEU 48 2HB LEU 48 44.547 82.859 28.449
380 2HB LEU 48 3HB LEU 48 45.689 84.195 28.579
381 HG LEU 48 HG LEU 48 44.906 82.578 30.983
382 1HD1 LEU 48 1HD1 LEU 48 46.983 81.256 30.562
383 2HD1 LEU 48 2HD1 LEU 48 47.018 81.937 28.936
384 3HD1 LEU 48 3HD1 LEU 48 45.663 80.927 29.440
385 1HD2 LEU 48 1HD2 LEU 48 46.124 84.796 31.133
386 2HD2 LEU 48 2HD2 LEU 48 47.487 83.988 30.359
387 3HD2 LEU 48 3HD2 LEU 48 46.897 83.420 31.921
388 H LYS 49 H LYS 49 41.680 85.875 29.098
389 HA LYS 49 HA LYS 49 42.317 86.663 26.378
390 1HB LYS 49 2HB LYS 49 40.056 87.562 26.313
391 2HB LYS 49 3HB LYS 49 40.038 85.921 26.947
392 1HG LYS 49 2HG LYS 49 39.627 86.654 29.138
393 2HG LYS 49 3HG LYS 49 40.065 88.320 28.750
394 1HD LYS 49 2HD LYS 49 37.711 88.299 28.875
395 2HD LYS 49 3HD LYS 49 38.090 88.309 27.150
396 1HE LYS 49 2HE LYS 49 36.511 86.657 27.199
397 2HE LYS 49 3HE LYS 49 37.965 85.694 27.457
398 1HZ LYS 49 1HZ LYS 49 35.753 85.762 29.066
399 2HZ LYS 49 2HZ LYS 49 36.896 86.679 29.910
400 3HZ LYS 49 3HZ LYS 49 37.255 85.089 29.457
401 H LYS 50 H LYS 50 41.672 89.024 25.815
402 HA LYS 50 HA LYS 50 42.715 90.863 27.860
403 1HB LYS 50 2HB LYS 50 43.833 92.093 25.915
404 2HB LYS 50 3HB LYS 50 44.585 90.599 26.457
405 1HG LYS 50 2HG LYS 50 42.610 90.441 24.246
406 2HG LYS 50 3HG LYS 50 44.203 91.121 23.901
407 1HD LYS 50 2HD LYS 50 45.027 88.977 25.192
408 2HD LYS 50 3HD LYS 50 43.446 88.354 24.711
409 1HE LYS 50 2HE LYS 50 44.739 87.705 22.925
410 2HE LYS 50 3HE LYS 50 44.141 89.262 22.358
411 1HZ LYS 50 1HZ LYS 50 46.618 89.354 23.858
412 2HZ LYS 50 2HZ LYS 50 46.177 90.171 22.445
413 3HZ LYS 50 3HZ LYS 50 46.715 88.569 22.362
414 H ARG 51 H ARG 51 40.995 92.076 28.347
415 HA ARG 51 HA ARG 51 39.766 93.648 26.240
416 1HB ARG 51 2HB ARG 51 38.472 91.403 26.681
417 2HB ARG 51 3HB ARG 51 37.884 92.255 28.103
418 1HG ARG 51 2HG ARG 51 37.129 94.091 26.567
419 2HG ARG 51 3HG ARG 51 37.516 93.019 25.220
420 1HD ARG 51 2HD ARG 51 35.272 92.593 25.527
421 2HD ARG 51 3HD ARG 51 36.014 91.321 26.496
422 HE ARG 51 HE ARG 51 35.443 93.700 27.992
423 1HH1 ARG 51 2HH1 ARG 51 34.133 90.709 26.787
424 2HH1 ARG 51 1HH1 ARG 51 32.903 90.605 28.002
425 1HH2 ARG 51 2HH2 ARG 51 33.827 93.576 29.598
426 2HH2 ARG 51 1HH2 ARG 51 32.729 92.238 29.601
427 H PHE 52 H PHE 52 38.933 95.588 26.954
428 HA PHE 52 HA PHE 52 39.185 96.125 29.840
429 1HB PHE 52 2HB PHE 52 39.799 98.109 27.645
430 2HB PHE 52 3HB PHE 52 40.077 98.307 29.372
431 HD1 PHE 52 1HD PHE 52 41.223 96.635 26.314
432 HD2 PHE 52 2HD PHE 52 41.986 97.343 30.442
433 HE1 PHE 52 1HE PHE 52 43.497 95.735 26.045
434 HE2 PHE 52 2HE PHE 52 44.262 96.446 30.178
435 HZ PHE 52 HZ PHE 52 45.020 95.641 27.978
436 H GLY 53 H GLY 53 37.171 96.339 30.586
437 1HA GLY 53 2HA GLY 53 35.503 98.456 29.604
438 2HA GLY 53 3HA GLY 53 34.860 96.867 29.218
439 H LEU 54 H LEU 54 36.679 97.570 32.131
440 HA LEU 54 HA LEU 54 34.540 96.567 33.762
441 1HB LEU 54 2HB LEU 54 37.085 96.332 34.111
442 2HB LEU 54 3HB LEU 54 36.988 97.950 34.801
443 HG LEU 54 HG LEU 54 35.183 95.837 35.874
444 1HD1 LEU 54 1HD1 LEU 54 37.349 95.678 37.528
445 2HD1 LEU 54 2HD1 LEU 54 38.102 95.735 35.936
446 3HD1 LEU 54 3HD1 LEU 54 36.912 94.487 36.303
447 1HD2 LEU 54 1HD2 LEU 54 34.835 97.365 37.446
448 2HD2 LEU 54 2HD2 LEU 54 35.807 98.489 36.497
449 3HD2 LEU 54 3HD2 LEU 54 36.564 97.515 37.759
450 H VAL 55 H VAL 55 35.702 99.684 32.789
451 HA VAL 55 HA VAL 55 34.929 101.797 33.141
452 HB VAL 55 HB VAL 55 32.480 100.475 34.313
453 1HG1 VAL 55 1HG1 VAL 55 33.164 103.129 34.270
454 2HG1 VAL 55 2HG1 VAL 55 32.181 102.960 32.813
455 3HG1 VAL 55 3HG1 VAL 55 31.522 102.495 34.382
456 1HG2 VAL 55 1HG2 VAL 55 32.939 99.572 32.101
457 2HG2 VAL 55 2HG2 VAL 55 31.527 100.628 32.055
458 3HG2 VAL 55 3HG2 VAL 55 33.079 101.204 31.446
459 HA PRO 56 HA PRO 56 36.206 101.444 37.606
460 1HB PRO 56 2HB PRO 56 38.428 102.982 37.343
461 2HB PRO 56 3HB PRO 56 38.426 101.239 37.051
462 1HG PRO 56 2HG PRO 56 38.278 103.489 35.081
463 2HG PRO 56 3HG PRO 56 39.225 101.992 35.001
464 1HD PRO 56 2HD PRO 56 36.894 102.315 33.660
465 2HD PRO 56 3HD PRO 56 37.424 100.741 34.290
466 H GLY 57 H GLY 57 34.565 102.716 38.408
467 1HA GLY 57 2HA GLY 57 35.028 105.626 38.247
468 2HA GLY 57 3HA GLY 57 33.414 104.957 38.060
469 H GLN 58 H GLN 58 32.452 105.855 39.824
470 HA GLN 58 HA GLN 58 33.696 105.825 42.412
471 1HB GLN 58 2HB GLN 58 31.333 106.999 41.195
472 2HB GLN 58 3HB GLN 58 30.985 106.342 42.789
473 1HG GLN 58 2HG GLN 58 33.127 108.349 42.120
474 2HG GLN 58 3HG GLN 58 31.596 108.680 42.929
475 1HE2 GLN 58 1HE2 GLN 58 34.822 107.641 43.281
476 2HE2 GLN 58 2HE2 GLN 58 34.786 107.341 44.982
Start of MODEL 9
1 1H HIS 2 H HIS 2 9.133 19.699 25.103
2 HA HIS 2 HA HIS 2 10.771 21.330 23.273
3 1HB HIS 2 2HB HIS 2 11.995 22.048 25.398
4 2HB HIS 2 3HB HIS 2 10.389 22.723 25.142
5 HD1 HIS 2 1HD HIS 2 11.768 19.634 26.905
6 HD2 HIS 2 2HD HIS 2 8.966 22.657 27.425
7 HE1 HIS 2 1HE HIS 2 10.725 19.205 29.154
8 H LEU 3 H LEU 3 10.364 18.340 24.639
9 HA LEU 3 HA LEU 3 13.030 17.605 25.254
10 1HB LEU 3 2HB LEU 3 10.687 15.903 24.420
11 2HB LEU 3 3HB LEU 3 12.198 15.290 25.087
12 HG LEU 3 HG LEU 3 10.758 17.270 26.740
13 1HD1 LEU 3 1HD1 LEU 3 9.205 15.571 27.601
14 2HD1 LEU 3 2HD1 LEU 3 9.708 14.476 26.313
15 3HD1 LEU 3 3HD1 LEU 3 8.880 15.982 25.917
16 1HD2 LEU 3 1HD2 LEU 3 12.765 15.270 27.019
17 2HD2 LEU 3 2HD2 LEU 3 11.415 14.868 28.082
18 3HD2 LEU 3 3HD2 LEU 3 12.198 16.443 28.208
19 H MET 4 H MET 4 14.243 15.902 24.035
20 HA MET 4 HA MET 4 14.262 16.599 21.186
21 1HB MET 4 2HB MET 4 16.399 15.209 22.808
22 2HB MET 4 3HB MET 4 16.553 15.792 21.157
23 1HG MET 4 2HG MET 4 15.906 17.647 23.417
24 2HG MET 4 3HG MET 4 17.566 17.195 23.035
25 1HE MET 4 1HE MET 4 15.988 20.768 22.048
26 2HE MET 4 2HE MET 4 14.610 19.857 21.429
27 3HE MET 4 3HE MET 4 15.236 19.520 23.044
28 H TYR 5 H TYR 5 12.429 14.646 22.477
29 HA TYR 5 HA TYR 5 12.652 12.588 20.509
30 1HB TYR 5 2HB TYR 5 13.038 10.697 21.902
31 2HB TYR 5 3HB TYR 5 14.295 11.864 22.296
32 HD1 TYR 5 1HD TYR 5 11.670 9.817 23.582
33 HD2 TYR 5 2HD TYR 5 13.931 13.336 24.365
34 HE1 TYR 5 1HE TYR 5 11.033 9.692 25.954
35 HE2 TYR 5 2HE TYR 5 13.301 13.219 26.740
36 HH TYR 5 HH TYR 5 12.426 11.845 28.347
37 H THR 6 H THR 6 10.689 11.777 20.057
38 HA THR 6 HA THR 6 8.431 12.755 21.583
39 HB THR 6 HB THR 6 7.078 11.619 19.785
40 HG1 THR 6 1HG THR 6 8.184 10.182 18.687
41 1HG2 THR 6 1HG2 THR 6 8.382 13.189 17.955
42 2HG2 THR 6 2HG2 THR 6 8.908 13.884 19.489
43 3HG2 THR 6 3HG2 THR 6 7.188 13.762 19.120
44 H LEU 7 H LEU 7 6.636 11.311 22.170
45 HA LEU 7 HA LEU 7 7.661 8.751 23.195
46 1HB LEU 7 2HB LEU 7 5.342 10.424 24.147
47 2HB LEU 7 3HB LEU 7 5.847 8.888 24.847
48 HG LEU 7 HG LEU 7 7.307 11.520 24.923
49 1HD1 LEU 7 1HD1 LEU 7 5.735 11.487 26.639
50 2HD1 LEU 7 2HD1 LEU 7 7.210 10.913 27.415
51 3HD1 LEU 7 3HD1 LEU 7 5.958 9.764 26.942
52 1HD2 LEU 7 1HD2 LEU 7 8.338 8.792 25.081
53 2HD2 LEU 7 2HD2 LEU 7 8.748 9.789 26.477
54 3HD2 LEU 7 3HD2 LEU 7 9.192 10.319 24.854
55 H GLY 8 H GLY 8 6.019 6.991 23.386
56 1HA GLY 8 2HA GLY 8 4.444 6.895 20.907
57 2HA GLY 8 3HA GLY 8 5.002 5.502 21.820
58 HA PRO 9 HA PRO 9 0.505 6.214 22.761
59 1HB PRO 9 2HB PRO 9 -0.241 3.637 22.348
60 2HB PRO 9 3HB PRO 9 -0.170 4.836 21.051
61 1HG PRO 9 2HG PRO 9 1.820 2.726 21.791
62 2HG PRO 9 3HG PRO 9 1.253 3.216 20.183
63 1HD PRO 9 2HD PRO 9 3.618 4.045 21.212
64 2HD PRO 9 3HD PRO 9 2.649 5.049 20.113
65 H ASP 10 H ASP 10 2.969 4.006 23.819
66 HA ASP 10 HA ASP 10 1.480 3.489 26.304
67 1HB ASP 10 2HB ASP 10 2.489 1.603 24.767
68 2HB ASP 10 3HB ASP 10 3.989 2.022 25.591
69 H GLY 11 H GLY 11 4.198 5.101 24.963
70 1HA GLY 11 2HA GLY 11 5.051 6.920 26.432
71 2HA GLY 11 3HA GLY 11 5.175 5.698 27.689
72 H LYS 12 H LYS 12 5.982 4.606 24.565
73 HA LYS 12 HA LYS 12 8.716 4.192 25.343
74 1HB LYS 12 2HB LYS 12 8.916 3.162 23.068
75 2HB LYS 12 3HB LYS 12 7.656 2.459 24.074
76 1HG LYS 12 2HG LYS 12 6.037 3.046 22.656
77 2HG LYS 12 3HG LYS 12 6.718 4.654 22.395
78 1HD LYS 12 2HD LYS 12 6.754 3.450 20.314
79 2HD LYS 12 3HD LYS 12 8.413 3.629 20.892
80 1HE LYS 12 2HE LYS 12 7.971 1.374 20.022
81 2HE LYS 12 3HE LYS 12 8.393 1.355 21.734
82 1HZ LYS 12 1HZ LYS 12 6.519 -0.106 21.222
83 2HZ LYS 12 2HZ LYS 12 5.628 1.217 20.660
84 3HZ LYS 12 3HZ LYS 12 6.070 1.127 22.290
85 H ARG 13 H ARG 13 10.440 5.400 24.867
86 HA ARG 13 HA ARG 13 10.113 7.945 23.625
87 1HB ARG 13 2HB ARG 13 12.607 8.090 23.902
88 2HB ARG 13 3HB ARG 13 11.717 7.761 25.384
89 1HG ARG 13 2HG ARG 13 12.313 5.249 24.381
90 2HG ARG 13 3HG ARG 13 13.765 6.202 24.068
91 1HD ARG 13 2HD ARG 13 13.962 5.187 26.234
92 2HD ARG 13 3HD ARG 13 13.738 6.923 26.442
93 HE ARG 13 HE ARG 13 11.233 5.676 26.561
94 1HH1 ARG 13 2HH1 ARG 13 14.190 5.889 28.384
95 2HH1 ARG 13 1HH1 ARG 13 13.421 5.617 29.912
96 1HH2 ARG 13 2HH2 ARG 13 10.207 5.317 28.567
97 2HH2 ARG 13 1HH2 ARG 13 11.155 5.291 30.014
98 H ILE 14 H ILE 14 11.025 8.714 21.696
99 HA ILE 14 HA ILE 14 12.203 6.802 19.847
100 HB ILE 14 HB ILE 14 9.660 8.288 19.177
101 1HG1 ILE 14 2HG1 ILE 14 10.222 5.322 19.405
102 2HG1 ILE 14 3HG1 ILE 14 9.303 6.280 20.561
103 1HG2 ILE 14 1HG2 ILE 14 10.253 8.137 17.046
104 2HG2 ILE 14 2HG2 ILE 14 11.778 7.383 17.509
105 3HG2 ILE 14 3HG2 ILE 14 10.358 6.384 17.203
106 1HD1 ILE 14 1HD1 ILE 14 7.610 5.360 19.358
107 2HD1 ILE 14 2HD1 ILE 14 7.864 6.838 18.431
108 3HD1 ILE 14 3HD1 ILE 14 8.543 5.314 17.863
109 H TYR 15 H TYR 15 14.045 7.908 19.515
110 HA TYR 15 HA TYR 15 14.447 10.635 19.554
111 1HB TYR 15 2HB TYR 15 15.877 8.437 18.073
112 2HB TYR 15 3HB TYR 15 16.418 10.109 17.990
113 HD1 TYR 15 1HD TYR 15 16.143 7.137 20.093
114 HD2 TYR 15 2HD TYR 15 17.356 11.213 19.960
115 HE1 TYR 15 1HE TYR 15 17.396 6.827 22.187
116 HE2 TYR 15 2HE TYR 15 18.613 10.914 22.052
117 HH TYR 15 HH TYR 15 18.243 8.194 24.045
118 H THR 16 H THR 16 13.159 12.010 18.478
119 HA THR 16 HA THR 16 13.120 11.807 15.551
120 HB THR 16 HB THR 16 10.754 12.587 15.533
121 HG1 THR 16 1HG THR 16 11.169 12.427 18.287
122 1HG2 THR 16 1HG2 THR 16 10.383 10.128 17.017
123 2HG2 THR 16 2HG2 THR 16 11.741 10.011 15.899
124 3HG2 THR 16 3HG2 THR 16 10.141 10.451 15.301
125 H LEU 17 H LEU 17 14.517 13.467 17.654
126 HA LEU 17 HA LEU 17 13.583 16.057 17.806
127 1HB LEU 17 2HB LEU 17 15.885 16.744 18.135
128 2HB LEU 17 3HB LEU 17 15.542 15.254 19.011
129 HG LEU 17 HG LEU 17 16.581 14.204 16.779
130 1HD1 LEU 17 1HD1 LEU 17 18.679 16.054 16.776
131 2HD1 LEU 17 2HD1 LEU 17 17.202 17.005 16.621
132 3HD1 LEU 17 3HD1 LEU 17 17.543 15.713 15.469
133 1HD2 LEU 17 1HD2 LEU 17 18.839 14.419 18.068
134 2HD2 LEU 17 2HD2 LEU 17 17.501 13.508 18.772
135 3HD2 LEU 17 3HD2 LEU 17 17.833 15.153 19.317
136 H LYS 18 H LYS 18 15.356 14.501 15.182
137 HA LYS 18 HA LYS 18 15.867 16.757 13.615
138 1HB LYS 18 2HB LYS 18 16.563 14.212 13.374
139 2HB LYS 18 3HB LYS 18 15.174 14.169 12.297
140 1HG LYS 18 2HG LYS 18 16.203 16.104 11.065
141 2HG LYS 18 3HG LYS 18 17.654 15.848 12.038
142 1HD LYS 18 2HD LYS 18 18.118 14.620 10.132
143 2HD LYS 18 3HD LYS 18 17.458 13.391 11.213
144 1HE LYS 18 2HE LYS 18 15.423 13.318 10.080
145 2HE LYS 18 3HE LYS 18 15.680 14.889 9.322
146 1HZ LYS 18 1HZ LYS 18 17.023 14.005 7.725
147 2HZ LYS 18 2HZ LYS 18 15.997 12.685 7.983
148 3HZ LYS 18 3HZ LYS 18 17.534 12.710 8.687
149 H LYS 19 H LYS 19 14.675 17.961 12.252
150 HA LYS 19 HA LYS 19 11.880 17.971 12.407
151 1HB LYS 19 2HB LYS 19 13.680 19.184 10.301
152 2HB LYS 19 3HB LYS 19 11.979 19.572 10.517
153 1HG LYS 19 2HG LYS 19 12.405 20.530 12.669
154 2HG LYS 19 3HG LYS 19 14.082 19.982 12.631
155 1HD LYS 19 2HD LYS 19 14.310 22.187 12.003
156 2HD LYS 19 3HD LYS 19 14.189 21.391 10.433
157 1HE LYS 19 2HE LYS 19 11.704 21.861 10.540
158 2HE LYS 19 3HE LYS 19 12.051 22.897 11.924
159 1HZ LYS 19 1HZ LYS 19 13.440 24.268 10.559
160 2HZ LYS 19 2HZ LYS 19 11.938 24.108 9.798
161 3HZ LYS 19 3HZ LYS 19 13.269 23.227 9.236
162 H VAL 20 H VAL 20 10.342 16.874 11.371
163 HA VAL 20 HA VAL 20 11.124 15.277 9.017
164 HB VAL 20 HB VAL 20 10.562 13.918 11.020
165 1HG1 VAL 20 1HG1 VAL 20 8.387 13.864 11.943
166 2HG1 VAL 20 2HG1 VAL 20 8.832 15.569 11.849
167 3HG1 VAL 20 3HG1 VAL 20 7.735 14.877 10.655
168 1HG2 VAL 20 1HG2 VAL 20 8.628 13.669 8.718
169 2HG2 VAL 20 2HG2 VAL 20 10.262 13.010 8.774
170 3HG2 VAL 20 3HG2 VAL 20 9.026 12.396 9.871
171 H THR 21 H THR 21 9.757 15.211 7.258
172 HA THR 21 HA THR 21 7.422 17.005 7.338
173 HB THR 21 HB THR 21 9.208 18.164 6.160
174 HG1 THR 21 1HG THR 21 7.939 18.726 4.495
175 1HG2 THR 21 1HG2 THR 21 10.337 15.961 5.471
176 2HG2 THR 21 2HG2 THR 21 10.379 17.297 4.322
177 3HG2 THR 21 3HG2 THR 21 9.231 15.978 4.098
178 H GLU 22 H GLU 22 5.844 16.589 5.594
179 HA GLU 22 HA GLU 22 5.637 13.703 5.098
180 1HB GLU 22 2HB GLU 22 3.437 15.748 4.822
181 2HB GLU 22 3HB GLU 22 3.276 14.000 4.922
182 1HG GLU 22 2HG GLU 22 2.688 14.587 7.040
183 2HG GLU 22 3HG GLU 22 4.420 14.343 7.255
184 H SER 23 H SER 23 7.212 15.685 3.504
185 HA SER 23 HA SER 23 7.644 16.216 1.330
186 1HB SER 23 2HB SER 23 7.457 13.606 1.374
187 2HB SER 23 3HB SER 23 5.969 13.879 0.469
188 HG SER 23 HG SER 23 8.620 14.322 -0.277
189 H GLY 24 H GLY 24 5.206 17.304 2.557
190 1HA GLY 24 2HA GLY 24 3.413 18.597 1.943
191 2HA GLY 24 3HA GLY 24 4.142 18.647 0.345
192 H GLU 25 H GLU 25 2.934 15.816 2.089
193 HA GLU 25 HA GLU 25 1.228 15.208 -0.199
194 1HB GLU 25 2HB GLU 25 2.714 13.446 0.660
195 2HB GLU 25 3HB GLU 25 1.920 13.539 2.226
196 1HG GLU 25 2HG GLU 25 0.942 11.693 1.230
197 2HG GLU 25 3HG GLU 25 -0.230 12.979 0.948
198 H ILE 26 H ILE 26 -0.972 15.024 -0.105
199 HA ILE 26 HA ILE 26 -2.421 16.627 1.619
200 HB ILE 26 HB ILE 26 -3.240 15.726 -0.564
201 1HG1 ILE 26 2HG1 ILE 26 -5.599 15.512 0.163
202 2HG1 ILE 26 3HG1 ILE 26 -5.052 15.334 1.827
203 1HG2 ILE 26 1HG2 ILE 26 -3.838 13.562 -0.897
204 2HG2 ILE 26 2HG2 ILE 26 -2.595 13.303 0.327
205 3HG2 ILE 26 3HG2 ILE 26 -4.297 13.313 0.788
206 1HD1 ILE 26 1HD1 ILE 26 -4.450 17.546 2.004
207 2HD1 ILE 26 2HD1 ILE 26 -4.271 17.746 0.260
208 3HD1 ILE 26 3HD1 ILE 26 -5.879 17.634 0.975
209 H THR 27 H THR 27 -3.582 16.315 3.479
210 HA THR 27 HA THR 27 -2.759 14.071 5.123
211 HB THR 27 HB THR 27 -4.312 15.337 6.819
212 HG1 THR 27 1HG THR 27 -5.261 16.807 5.433
213 1HG2 THR 27 1HG2 THR 27 -2.451 16.721 7.489
214 2HG2 THR 27 2HG2 THR 27 -1.742 16.613 5.877
215 3HG2 THR 27 3HG2 THR 27 -1.832 15.179 6.900
216 H LYS 28 H LYS 28 -4.005 12.398 5.756
217 HA LYS 28 HA LYS 28 -6.730 12.272 4.656
218 1HB LYS 28 2HB LYS 28 -6.502 9.830 4.809
219 2HB LYS 28 3HB LYS 28 -5.233 10.539 3.819
220 1HG LYS 28 2HG LYS 28 -3.592 10.141 5.407
221 2HG LYS 28 3HG LYS 28 -4.762 9.983 6.720
222 1HD LYS 28 2HD LYS 28 -4.229 7.781 6.382
223 2HD LYS 28 3HD LYS 28 -5.598 7.942 5.279
224 1HE LYS 28 2HE LYS 28 -2.699 8.214 4.492
225 2HE LYS 28 3HE LYS 28 -3.670 6.760 4.276
226 1HZ LYS 28 1HZ LYS 28 -3.886 9.349 2.891
227 2HZ LYS 28 2HZ LYS 28 -5.234 8.335 2.998
228 3HZ LYS 28 3HZ LYS 28 -3.825 7.791 2.235
229 H SER 29 H SER 29 -4.858 12.158 7.567
230 HA SER 29 HA SER 29 -7.195 11.329 9.132
231 1HB SER 29 2HB SER 29 -5.744 10.708 10.843
232 2HB SER 29 3HB SER 29 -4.778 10.362 9.409
233 HG SER 29 HG SER 29 -3.403 11.814 10.032
234 H ALA 30 H ALA 30 -6.888 13.979 7.852
235 HA ALA 30 HA ALA 30 -6.491 15.803 10.078
236 1HB ALA 30 1HB ALA 30 -5.786 17.068 8.387
237 2HB ALA 30 2HB ALA 30 -6.524 16.004 7.189
238 3HB ALA 30 3HB ALA 30 -7.482 17.276 7.949
239 H HIS 31 H HIS 31 -9.108 15.443 7.676
240 HA HIS 31 HA HIS 31 -11.057 16.846 9.037
241 1HB HIS 31 2HB HIS 31 -12.686 15.334 7.758
242 2HB HIS 31 3HB HIS 31 -11.534 16.264 6.804
243 HD1 HIS 31 1HD HIS 31 -10.173 14.974 5.174
244 HD2 HIS 31 2HD HIS 31 -11.836 12.535 8.098
245 HE1 HIS 31 1HE HIS 31 -9.618 12.620 4.482
246 HA PRO 32 HA PRO 32 -12.348 14.440 12.471
247 1HB PRO 32 2HB PRO 32 -15.020 14.919 12.507
248 2HB PRO 32 3HB PRO 32 -13.820 16.133 12.965
249 1HG PRO 32 2HG PRO 32 -15.282 15.796 10.374
250 2HG PRO 32 3HG PRO 32 -14.937 17.282 11.279
251 1HD PRO 32 2HD PRO 32 -13.484 16.517 9.125
252 2HD PRO 32 3HD PRO 32 -12.777 17.413 10.485
253 H ALA 33 H ALA 33 -12.002 12.301 11.924
254 HA ALA 33 HA ALA 33 -14.085 10.913 10.399
255 1HB ALA 33 1HB ALA 33 -12.497 9.070 10.231
256 2HB ALA 33 2HB ALA 33 -11.778 10.578 9.665
257 3HB ALA 33 3HB ALA 33 -11.360 9.945 11.257
258 H ARG 34 H ARG 34 -15.605 9.807 11.429
259 HA ARG 34 HA ARG 34 -15.061 8.181 13.708
260 1HB ARG 34 2HB ARG 34 -15.162 10.192 14.972
261 2HB ARG 34 3HB ARG 34 -16.570 10.762 14.085
262 1HG ARG 34 2HG ARG 34 -17.209 10.036 16.297
263 2HG ARG 34 3HG ARG 34 -17.910 8.965 15.082
264 1HD ARG 34 2HD ARG 34 -17.072 7.614 16.866
265 2HD ARG 34 3HD ARG 34 -16.014 7.397 15.472
266 HE ARG 34 HE ARG 34 -15.037 9.442 17.178
267 1HH1 ARG 34 2HH1 ARG 34 -15.309 5.983 16.889
268 2HH1 ARG 34 1HH1 ARG 34 -13.908 5.661 17.857
269 1HH2 ARG 34 2HH2 ARG 34 -13.192 9.032 18.453
270 2HH2 ARG 34 1HH2 ARG 34 -12.705 7.397 18.746
271 H PHE 35 H PHE 35 -16.389 6.493 13.611
272 HA PHE 35 HA PHE 35 -18.342 6.191 11.647
273 1HB PHE 35 2HB PHE 35 -17.675 4.682 14.149
274 2HB PHE 35 3HB PHE 35 -19.108 4.248 13.225
275 HD1 PHE 35 1HD PHE 35 -18.911 3.323 10.982
276 HD2 PHE 35 2HD PHE 35 -15.470 4.250 13.309
277 HE1 PHE 35 1HE PHE 35 -17.526 1.968 9.466
278 HE2 PHE 35 2HE PHE 35 -14.078 2.897 11.796
279 HZ PHE 35 HZ PHE 35 -15.106 1.755 9.871
280 H SER 36 H SER 36 -18.843 6.563 15.160
281 HA SER 36 HA SER 36 -20.931 8.413 14.955
282 1HB SER 36 2HB SER 36 -22.650 7.119 14.301
283 2HB SER 36 3HB SER 36 -21.717 5.641 14.528
284 HG SER 36 HG SER 36 -23.176 5.420 16.070
285 HA PRO 37 HA PRO 37 -20.261 8.655 19.283
286 1HB PRO 37 2HB PRO 37 -22.684 9.463 20.205
287 2HB PRO 37 3HB PRO 37 -21.603 10.521 19.290
288 1HG PRO 37 2HG PRO 37 -23.984 8.972 18.346
289 2HG PRO 37 3HG PRO 37 -23.506 10.635 17.958
290 1HD PRO 37 2HD PRO 37 -23.051 8.557 16.281
291 2HD PRO 37 3HD PRO 37 -21.962 9.956 16.386
292 H ASP 38 H ASP 38 -23.331 7.035 18.488
293 HA ASP 38 HA ASP 38 -22.743 5.077 20.608
294 1HB ASP 38 2HB ASP 38 -25.278 6.545 20.008
295 2HB ASP 38 3HB ASP 38 -25.378 4.898 20.628
296 H ASP 39 H ASP 39 -23.061 2.950 20.123
297 HA ASP 39 HA ASP 39 -23.348 2.302 17.317
298 1HB ASP 39 2HB ASP 39 -22.913 -0.058 18.164
299 2HB ASP 39 3HB ASP 39 -21.621 1.110 18.425
300 H LYS 40 H LYS 40 -25.291 2.288 20.158
301 HA LYS 40 HA LYS 40 -27.216 0.382 19.158
302 1HB LYS 40 2HB LYS 40 -26.971 2.082 21.607
303 2HB LYS 40 3HB LYS 40 -28.544 1.416 21.184
304 1HG LYS 40 2HG LYS 40 -27.151 -0.820 20.996
305 2HG LYS 40 3HG LYS 40 -26.083 0.041 22.108
306 1HD LYS 40 2HD LYS 40 -28.350 0.541 23.358
307 2HD LYS 40 3HD LYS 40 -28.880 -0.909 22.502
308 1HE LYS 40 2HE LYS 40 -28.071 -1.823 24.446
309 2HE LYS 40 3HE LYS 40 -26.638 -1.900 23.422
310 1HZ LYS 40 1HZ LYS 40 -27.211 -0.114 25.683
311 2HZ LYS 40 2HZ LYS 40 -26.179 0.424 24.456
312 3HZ LYS 40 3HZ LYS 40 -25.799 -0.976 25.326
313 H TYR 41 H TYR 41 -26.498 3.427 18.264
314 HA TYR 41 HA TYR 41 -28.830 4.898 18.248
315 1HB TYR 41 2HB TYR 41 -27.900 6.167 16.474
316 2HB TYR 41 3HB TYR 41 -26.529 5.592 17.416
317 HD1 TYR 41 1HD TYR 41 -25.557 3.255 16.568
318 HD2 TYR 41 2HD TYR 41 -27.772 5.992 14.180
319 HE1 TYR 41 1HE TYR 41 -24.571 2.273 14.540
320 HE2 TYR 41 2HE TYR 41 -26.793 5.017 12.144
321 HH TYR 41 HH TYR 41 -25.706 2.442 11.676
322 H SER 42 H SER 42 -27.938 2.159 16.270
323 HA SER 42 HA SER 42 -30.028 2.476 14.350
324 1HB SER 42 2HB SER 42 -28.191 1.204 13.602
325 2HB SER 42 3HB SER 42 -28.167 0.217 15.062
326 HG SER 42 HG SER 42 -29.249 -1.113 13.828
327 H ARG 43 H ARG 43 -32.092 2.402 14.958
328 HA ARG 43 HA ARG 43 -33.000 0.899 17.215
329 1HB ARG 43 2HB ARG 43 -35.204 1.717 16.647
330 2HB ARG 43 3HB ARG 43 -34.043 3.029 16.497
331 1HG ARG 43 2HG ARG 43 -33.976 2.367 13.998
332 2HG ARG 43 3HG ARG 43 -35.493 1.537 14.353
333 1HD ARG 43 2HD ARG 43 -35.006 4.428 15.030
334 2HD ARG 43 3HD ARG 43 -35.691 3.906 13.492
335 HE ARG 43 HE ARG 43 -37.262 2.708 15.371
336 1HH1 ARG 43 2HH1 ARG 43 -36.294 5.986 14.707
337 2HH1 ARG 43 1HH1 ARG 43 -37.752 6.681 15.331
338 1HH2 ARG 43 2HH2 ARG 43 -39.187 3.612 16.195
339 2HH2 ARG 43 1HH2 ARG 43 -39.397 5.330 16.178
340 H GLN 44 H GLN 44 -32.745 0.325 13.803
341 HA GLN 44 HA GLN 44 -34.640 -1.748 13.558
342 1HB GLN 44 2HB GLN 44 -33.287 -0.412 11.748
343 2HB GLN 44 3HB GLN 44 -32.128 -1.723 11.930
344 1HG GLN 44 2HG GLN 44 -33.755 -3.342 11.264
345 2HG GLN 44 3HG GLN 44 -35.036 -2.131 11.279
346 1HE2 GLN 44 1HE2 GLN 44 -31.806 -2.528 9.853
347 2HE2 GLN 44 2HE2 GLN 44 -32.255 -1.999 8.271
348 H ARG 45 H ARG 45 -31.428 -1.652 14.851
349 HA ARG 45 HA ARG 45 -30.611 -4.287 14.619
350 1HB ARG 45 2HB ARG 45 -29.220 -2.460 15.534
351 2HB ARG 45 3HB ARG 45 -30.199 -2.462 16.995
352 1HG ARG 45 2HG ARG 45 -29.502 -4.788 17.423
353 2HG ARG 45 3HG ARG 45 -28.463 -4.712 15.999
354 1HD ARG 45 2HD ARG 45 -28.257 -2.979 18.459
355 2HD ARG 45 3HD ARG 45 -27.181 -4.307 18.025
356 HE ARG 45 HE ARG 45 -27.144 -1.634 16.977
357 1HH1 ARG 45 2HH1 ARG 45 -26.320 -4.958 16.352
358 2HH1 ARG 45 1HH1 ARG 45 -25.071 -4.570 15.215
359 1HH2 ARG 45 2HH2 ARG 45 -25.502 -1.111 15.483
360 2HH2 ARG 45 1HH2 ARG 45 -24.606 -2.381 14.723
361 H VAL 46 H VAL 46 -33.019 -2.883 16.714
362 HA VAL 46 HA VAL 46 -33.231 -5.123 18.481
363 HB VAL 46 HB VAL 46 -35.309 -2.991 17.976
364 1HG1 VAL 46 1HG1 VAL 46 -36.295 -3.618 19.971
365 2HG1 VAL 46 2HG1 VAL 46 -35.795 -5.172 19.302
366 3HG1 VAL 46 3HG1 VAL 46 -34.833 -4.405 20.567
367 1HG2 VAL 46 1HG2 VAL 46 -34.247 -1.934 20.035
368 2HG2 VAL 46 2HG2 VAL 46 -32.859 -2.977 19.719
369 3HG2 VAL 46 3HG2 VAL 46 -33.361 -1.787 18.517
370 H THR 47 H THR 47 -35.097 -3.967 15.691
371 HA THR 47 HA THR 47 -37.079 -5.958 15.748
372 HB THR 47 HB THR 47 -36.983 -5.392 13.113
373 HG1 THR 47 1HG THR 47 -36.120 -2.943 14.187
374 1HG2 THR 47 1HG2 THR 47 -38.029 -3.462 15.184
375 2HG2 THR 47 2HG2 THR 47 -38.835 -4.960 14.720
376 3HG2 THR 47 3HG2 THR 47 -38.616 -3.672 13.536
377 H LEU 48 H LEU 48 -37.149 -8.010 15.038
378 HA LEU 48 HA LEU 48 -34.801 -9.454 14.545
379 1HB LEU 48 2HB LEU 48 -36.148 -11.328 14.298
380 2HB LEU 48 3HB LEU 48 -37.082 -10.277 15.360
381 HG LEU 48 HG LEU 48 -37.561 -10.572 12.396
382 1HD1 LEU 48 1HD1 LEU 48 -38.853 -12.342 12.773
383 2HD1 LEU 48 2HD1 LEU 48 -39.618 -11.582 14.169
384 3HD1 LEU 48 3HD1 LEU 48 -38.092 -12.445 14.361
385 1HD2 LEU 48 1HD2 LEU 48 -39.807 -9.573 13.182
386 2HD2 LEU 48 2HD2 LEU 48 -38.420 -8.499 12.995
387 3HD2 LEU 48 3HD2 LEU 48 -38.898 -9.050 14.601
388 H LYS 49 H LYS 49 -33.700 -9.963 12.747
389 HA LYS 49 HA LYS 49 -34.366 -8.611 10.293
390 1HB LYS 49 2HB LYS 49 -32.013 -9.134 11.369
391 2HB LYS 49 3HB LYS 49 -32.176 -10.638 10.471
392 1HG LYS 49 2HG LYS 49 -32.707 -9.059 8.468
393 2HG LYS 49 3HG LYS 49 -31.892 -7.848 9.460
394 1HD LYS 49 2HD LYS 49 -30.102 -8.669 8.295
395 2HD LYS 49 3HD LYS 49 -30.082 -9.760 9.683
396 1HE LYS 49 2HE LYS 49 -30.887 -11.535 8.468
397 2HE LYS 49 3HE LYS 49 -31.704 -10.502 7.297
398 1HZ LYS 49 1HZ LYS 49 -29.114 -9.881 6.908
399 2HZ LYS 49 2HZ LYS 49 -29.980 -11.008 5.992
400 3HZ LYS 49 3HZ LYS 49 -29.011 -11.528 7.278
401 H LYS 50 H LYS 50 -35.239 -9.446 8.486
402 HA LYS 50 HA LYS 50 -35.792 -12.341 8.454
403 1HB LYS 50 2HB LYS 50 -37.518 -10.016 7.636
404 2HB LYS 50 3HB LYS 50 -37.806 -11.635 7.010
405 1HG LYS 50 2HG LYS 50 -37.890 -12.376 9.450
406 2HG LYS 50 3HG LYS 50 -38.014 -10.658 9.837
407 1HD LYS 50 2HD LYS 50 -40.038 -10.452 8.574
408 2HD LYS 50 3HD LYS 50 -39.865 -12.087 7.934
409 1HE LYS 50 2HE LYS 50 -40.045 -11.609 10.885
410 2HE LYS 50 3HE LYS 50 -41.502 -11.665 9.894
411 1HZ LYS 50 1HZ LYS 50 -41.230 -13.837 10.615
412 2HZ LYS 50 2HZ LYS 50 -39.550 -13.814 10.422
413 3HZ LYS 50 3HZ LYS 50 -40.555 -13.874 9.063
414 H ARG 51 H ARG 51 -34.446 -13.227 7.021
415 HA ARG 51 HA ARG 51 -34.022 -11.833 4.460
416 1HB ARG 51 2HB ARG 51 -32.043 -12.355 6.063
417 2HB ARG 51 3HB ARG 51 -32.228 -14.008 5.490
418 1HG ARG 51 2HG ARG 51 -32.106 -12.889 3.132
419 2HG ARG 51 3HG ARG 51 -31.328 -11.580 4.022
420 1HD ARG 51 2HD ARG 51 -29.589 -12.993 3.260
421 2HD ARG 51 3HD ARG 51 -29.774 -13.317 4.983
422 HE ARG 51 HE ARG 51 -31.296 -15.091 3.316
423 1HH1 ARG 51 2HH1 ARG 51 -28.184 -14.494 4.758
424 2HH1 ARG 51 1HH1 ARG 51 -27.707 -16.160 4.731
425 1HH2 ARG 51 2HH2 ARG 51 -30.680 -17.287 3.277
426 2HH2 ARG 51 1HH2 ARG 51 -29.127 -17.747 3.887
427 H PHE 52 H PHE 52 -34.856 -14.864 6.003
428 HA PHE 52 HA PHE 52 -34.837 -16.516 3.729
429 1HB PHE 52 2HB PHE 52 -36.066 -16.636 6.434
430 2HB PHE 52 3HB PHE 52 -36.724 -17.710 5.204
431 HD1 PHE 52 1HD PHE 52 -33.721 -16.834 7.134
432 HD2 PHE 52 2HD PHE 52 -35.492 -19.588 4.413
433 HE1 PHE 52 1HE PHE 52 -31.875 -18.411 7.534
434 HE2 PHE 52 2HE PHE 52 -33.649 -21.169 4.810
435 HZ PHE 52 HZ PHE 52 -31.837 -20.582 6.372
436 H GLY 53 H GLY 53 -36.002 -16.307 1.941
437 1HA GLY 53 2HA GLY 53 -38.840 -15.590 2.184
438 2HA GLY 53 3HA GLY 53 -37.824 -14.654 1.096
439 H LEU 54 H LEU 54 -37.188 -18.032 1.476
440 HA LEU 54 HA LEU 54 -38.376 -18.521 -1.175
441 1HB LEU 54 2HB LEU 54 -36.617 -20.299 -1.394
442 2HB LEU 54 3HB LEU 54 -36.034 -18.636 -1.417
443 HG LEU 54 HG LEU 54 -35.874 -19.462 1.257
444 1HD1 LEU 54 1HD1 LEU 54 -35.945 -21.732 0.935
445 2HD1 LEU 54 2HD1 LEU 54 -34.217 -21.425 0.768
446 3HD1 LEU 54 3HD1 LEU 54 -35.217 -21.640 -0.669
447 1HD2 LEU 54 1HD2 LEU 54 -34.376 -18.051 -0.420
448 2HD2 LEU 54 2HD2 LEU 54 -33.482 -19.570 -0.495
449 3HD2 LEU 54 3HD2 LEU 54 -33.718 -18.761 1.055
450 H VAL 55 H VAL 55 -39.400 -20.501 -1.546
451 HA VAL 55 HA VAL 55 -39.830 -22.226 0.791
452 HB VAL 55 HB VAL 55 -42.262 -22.427 -0.006
453 1HG1 VAL 55 1HG1 VAL 55 -41.803 -19.706 1.094
454 2HG1 VAL 55 2HG1 VAL 55 -42.904 -20.976 1.633
455 3HG1 VAL 55 3HG1 VAL 55 -41.183 -21.083 2.003
456 1HG2 VAL 55 1HG2 VAL 55 -43.208 -20.680 -1.265
457 2HG2 VAL 55 2HG2 VAL 55 -41.760 -19.682 -1.124
458 3HG2 VAL 55 3HG2 VAL 55 -41.739 -21.127 -2.133
459 HA PRO 56 HA PRO 56 -38.838 -24.596 -3.097
460 1HB PRO 56 2HB PRO 56 -36.903 -26.124 -1.964
461 2HB PRO 56 3HB PRO 56 -36.580 -24.539 -2.675
462 1HG PRO 56 2HG PRO 56 -36.967 -25.283 0.199
463 2HG PRO 56 3HG PRO 56 -35.771 -24.190 -0.523
464 1HD PRO 56 2HD PRO 56 -38.015 -23.293 0.701
465 2HD PRO 56 3HD PRO 56 -37.270 -22.446 -0.670
466 H GLY 57 H GLY 57 -39.662 -25.369 0.184
467 1HA GLY 57 2HA GLY 57 -41.627 -27.162 -0.237
468 2HA GLY 57 3HA GLY 57 -40.187 -28.164 -0.365
469 H GLN 58 H GLN 58 -41.787 -25.836 1.789
470 HA GLN 58 HA GLN 58 -40.313 -26.785 4.080
471 1HB GLN 58 2HB GLN 58 -41.118 -24.397 3.721
472 2HB GLN 58 3HB GLN 58 -42.729 -24.983 4.111
473 1HG GLN 58 2HG GLN 58 -42.027 -24.199 6.142
474 2HG GLN 58 3HG GLN 58 -41.580 -25.901 6.255
475 1HE2 GLN 58 1HE2 GLN 58 -39.428 -26.480 6.227
476 2HE2 GLN 58 2HE2 GLN 58 -38.150 -25.334 6.419
Start of MODEL 10
1 1H HIS 2 H HIS 2 15.446 16.977 27.861
2 HA HIS 2 HA HIS 2 14.780 19.273 26.541
3 1HB HIS 2 2HB HIS 2 16.986 17.826 25.061
4 2HB HIS 2 3HB HIS 2 16.009 19.133 24.399
5 HD1 HIS 2 1HD HIS 2 17.094 21.340 24.536
6 HD2 HIS 2 2HD HIS 2 18.396 18.800 27.554
7 HE1 HIS 2 1HE HIS 2 18.831 22.642 25.807
8 H LEU 3 H LEU 3 13.061 18.910 25.232
9 HA LEU 3 HA LEU 3 12.130 16.192 24.994
10 1HB LEU 3 2HB LEU 3 10.770 18.531 23.728
11 2HB LEU 3 3HB LEU 3 10.065 17.078 24.431
12 HG LEU 3 HG LEU 3 11.250 19.407 25.940
13 1HD1 LEU 3 1HD1 LEU 3 9.043 19.812 24.906
14 2HD1 LEU 3 2HD1 LEU 3 8.992 19.824 26.669
15 3HD1 LEU 3 3HD1 LEU 3 8.407 18.417 25.780
16 1HD2 LEU 3 1HD2 LEU 3 10.037 16.830 26.932
17 2HD2 LEU 3 2HD2 LEU 3 10.410 18.226 27.942
18 3HD2 LEU 3 3HD2 LEU 3 11.709 17.356 27.126
19 H MET 4 H MET 4 14.289 16.037 23.578
20 HA MET 4 HA MET 4 13.699 16.633 20.778
21 1HB MET 4 2HB MET 4 16.176 15.819 22.266
22 2HB MET 4 3HB MET 4 16.088 15.635 20.519
23 1HG MET 4 2HG MET 4 15.324 18.150 20.631
24 2HG MET 4 3HG MET 4 16.184 18.102 22.169
25 1HE MET 4 1HE MET 4 17.570 19.707 21.808
26 2HE MET 4 2HE MET 4 19.231 19.211 21.486
27 3HE MET 4 3HE MET 4 18.336 20.133 20.278
28 H TYR 5 H TYR 5 12.170 14.615 22.154
29 HA TYR 5 HA TYR 5 12.451 12.493 20.250
30 1HB TYR 5 2HB TYR 5 12.774 10.680 21.888
31 2HB TYR 5 3HB TYR 5 14.151 11.778 21.850
32 HD1 TYR 5 1HD TYR 5 14.470 13.414 23.701
33 HD2 TYR 5 2HD TYR 5 11.486 10.386 23.866
34 HE1 TYR 5 1HE TYR 5 14.283 13.738 26.132
35 HE2 TYR 5 2HE TYR 5 11.290 10.703 26.297
36 HH TYR 5 HH TYR 5 11.804 12.783 27.929
37 H THR 6 H THR 6 10.460 11.895 19.738
38 HA THR 6 HA THR 6 8.223 12.686 21.366
39 HB THR 6 HB THR 6 6.874 11.532 19.555
40 HG1 THR 6 1HG THR 6 8.286 10.110 18.649
41 1HG2 THR 6 1HG2 THR 6 7.020 13.362 18.126
42 2HG2 THR 6 2HG2 THR 6 8.763 13.520 18.344
43 3HG2 THR 6 3HG2 THR 6 7.666 14.000 19.637
44 H LEU 7 H LEU 7 6.647 11.312 22.266
45 HA LEU 7 HA LEU 7 7.677 8.656 22.976
46 1HB LEU 7 2HB LEU 7 5.571 10.358 24.301
47 2HB LEU 7 3HB LEU 7 6.077 8.760 24.849
48 HG LEU 7 HG LEU 7 7.711 11.293 24.850
49 1HD1 LEU 7 1HD1 LEU 7 6.110 11.128 26.667
50 2HD1 LEU 7 2HD1 LEU 7 7.753 10.918 27.272
51 3HD1 LEU 7 3HD1 LEU 7 6.703 9.516 27.068
52 1HD2 LEU 7 1HD2 LEU 7 8.541 8.516 24.773
53 2HD2 LEU 7 2HD2 LEU 7 9.108 9.339 26.227
54 3HD2 LEU 7 3HD2 LEU 7 9.504 9.989 24.635
55 H GLY 8 H GLY 8 6.009 6.937 23.297
56 1HA GLY 8 2HA GLY 8 4.153 6.993 21.025
57 2HA GLY 8 3HA GLY 8 4.737 5.550 21.841
58 HA PRO 9 HA PRO 9 0.408 6.519 23.286
59 1HB PRO 9 2HB PRO 9 -0.594 4.049 22.772
60 2HB PRO 9 3HB PRO 9 -0.561 5.342 21.568
61 1HG PRO 9 2HG PRO 9 1.311 3.033 21.918
62 2HG PRO 9 3HG PRO 9 0.619 3.696 20.426
63 1HD PRO 9 2HD PRO 9 3.141 4.256 21.235
64 2HD PRO 9 3HD PRO 9 2.148 5.417 20.331
65 H ASP 10 H ASP 10 2.816 4.117 23.919
66 HA ASP 10 HA ASP 10 1.548 3.471 26.496
67 1HB ASP 10 2HB ASP 10 2.303 1.674 24.700
68 2HB ASP 10 3HB ASP 10 3.876 1.918 25.455
69 H GLY 11 H GLY 11 4.175 5.079 25.013
70 1HA GLY 11 2HA GLY 11 5.286 6.701 26.536
71 2HA GLY 11 3HA GLY 11 5.492 5.355 27.646
72 H LYS 12 H LYS 12 5.875 4.571 24.348
73 HA LYS 12 HA LYS 12 8.612 3.865 24.727
74 1HB LYS 12 2HB LYS 12 6.924 3.961 22.219
75 2HB LYS 12 3HB LYS 12 8.533 3.258 22.316
76 1HG LYS 12 2HG LYS 12 7.503 1.805 24.204
77 2HG LYS 12 3HG LYS 12 5.965 2.272 23.473
78 1HD LYS 12 2HD LYS 12 6.999 1.500 21.260
79 2HD LYS 12 3HD LYS 12 8.229 0.718 22.255
80 1HE LYS 12 2HE LYS 12 6.738 -1.001 22.053
81 2HE LYS 12 3HE LYS 12 6.115 -0.232 23.511
82 1HZ LYS 12 1HZ LYS 12 4.272 0.485 22.457
83 2HZ LYS 12 2HZ LYS 12 4.595 -0.819 21.429
84 3HZ LYS 12 3HZ LYS 12 5.060 0.745 20.982
85 H ARG 13 H ARG 13 10.278 5.206 24.657
86 HA ARG 13 HA ARG 13 10.065 7.866 23.655
87 1HB ARG 13 2HB ARG 13 12.623 6.424 24.336
88 2HB ARG 13 3HB ARG 13 12.318 8.155 24.373
89 1HG ARG 13 2HG ARG 13 10.665 7.726 26.210
90 2HG ARG 13 3HG ARG 13 11.251 6.063 26.249
91 1HD ARG 13 2HD ARG 13 13.150 8.369 26.468
92 2HD ARG 13 3HD ARG 13 12.269 7.790 27.881
93 HE ARG 13 HE ARG 13 13.519 5.624 26.577
94 1HH1 ARG 13 2HH1 ARG 13 14.256 8.410 28.531
95 2HH1 ARG 13 1HH1 ARG 13 15.684 7.713 29.219
96 1HH2 ARG 13 2HH2 ARG 13 15.400 4.696 27.476
97 2HH2 ARG 13 1HH2 ARG 13 16.335 5.600 28.617
98 H ILE 14 H ILE 14 11.017 8.796 21.852
99 HA ILE 14 HA ILE 14 12.313 7.019 19.919
100 HB ILE 14 HB ILE 14 10.010 8.831 19.186
101 1HG1 ILE 14 2HG1 ILE 14 10.111 5.810 19.128
102 2HG1 ILE 14 3HG1 ILE 14 9.391 6.735 20.442
103 1HG2 ILE 14 1HG2 ILE 14 11.772 8.615 17.467
104 2HG2 ILE 14 2HG2 ILE 14 11.544 6.867 17.490
105 3HG2 ILE 14 3HG2 ILE 14 10.232 7.920 16.962
106 1HD1 ILE 14 1HD1 ILE 14 7.507 7.015 19.313
107 2HD1 ILE 14 2HD1 ILE 14 8.365 7.559 17.872
108 3HD1 ILE 14 3HD1 ILE 14 8.127 5.836 18.158
109 H TYR 15 H TYR 15 14.227 7.947 19.610
110 HA TYR 15 HA TYR 15 14.636 10.771 19.909
111 1HB TYR 15 2HB TYR 15 16.597 8.795 18.747
112 2HB TYR 15 3HB TYR 15 16.946 10.319 19.555
113 HD1 TYR 15 1HD TYR 15 17.676 7.186 20.045
114 HD2 TYR 15 2HD TYR 15 15.238 10.103 21.956
115 HE1 TYR 15 1HE TYR 15 17.927 5.989 22.179
116 HE2 TYR 15 2HE TYR 15 15.483 8.915 24.095
117 HH TYR 15 HH TYR 15 16.161 6.060 24.546
118 H THR 16 H THR 16 12.871 11.036 18.146
119 HA THR 16 HA THR 16 13.954 10.860 15.442
120 HB THR 16 HB THR 16 11.627 10.146 15.803
121 HG1 THR 16 1HG THR 16 10.736 11.513 14.111
122 1HG2 THR 16 1HG2 THR 16 11.139 11.773 17.635
123 2HG2 THR 16 2HG2 THR 16 9.895 11.707 16.388
124 3HG2 THR 16 3HG2 THR 16 11.045 13.043 16.416
125 H LEU 17 H LEU 17 14.584 12.887 17.754
126 HA LEU 17 HA LEU 17 14.926 15.143 18.005
127 1HB LEU 17 2HB LEU 17 16.341 16.055 16.333
128 2HB LEU 17 3HB LEU 17 16.704 14.334 16.452
129 HG LEU 17 HG LEU 17 14.760 15.144 14.370
130 1HD1 LEU 17 1HD1 LEU 17 16.124 16.808 13.679
131 2HD1 LEU 17 2HD1 LEU 17 17.009 15.465 12.957
132 3HD1 LEU 17 3HD1 LEU 17 17.538 16.142 14.497
133 1HD2 LEU 17 1HD2 LEU 17 17.066 13.453 13.737
134 2HD2 LEU 17 2HD2 LEU 17 15.346 13.183 13.457
135 3HD2 LEU 17 3HD2 LEU 17 16.047 12.837 15.039
136 H LYS 18 H LYS 18 12.229 14.582 17.391
137 HA LYS 18 HA LYS 18 11.144 16.086 15.303
138 1HB LYS 18 2HB LYS 18 10.172 14.800 17.733
139 2HB LYS 18 3HB LYS 18 9.268 16.254 17.336
140 1HG LYS 18 2HG LYS 18 9.795 14.269 15.185
141 2HG LYS 18 3HG LYS 18 8.560 13.913 16.393
142 1HD LYS 18 2HD LYS 18 8.548 16.590 15.089
143 2HD LYS 18 3HD LYS 18 7.969 15.200 14.168
144 1HE LYS 18 2HE LYS 18 6.442 14.675 16.074
145 2HE LYS 18 3HE LYS 18 6.938 16.192 16.822
146 1HZ LYS 18 1HZ LYS 18 4.883 16.477 15.616
147 2HZ LYS 18 2HZ LYS 18 5.590 15.902 14.192
148 3HZ LYS 18 3HZ LYS 18 6.109 17.366 14.862
149 H LYS 19 H LYS 19 11.756 18.144 14.978
150 HA LYS 19 HA LYS 19 12.450 19.999 16.959
151 1HB LYS 19 2HB LYS 19 12.921 20.084 14.443
152 2HB LYS 19 3HB LYS 19 11.300 20.747 14.276
153 1HG LYS 19 2HG LYS 19 12.166 22.434 16.102
154 2HG LYS 19 3HG LYS 19 13.740 21.965 15.455
155 1HD LYS 19 2HD LYS 19 11.500 22.806 13.644
156 2HD LYS 19 3HD LYS 19 12.546 23.998 14.419
157 1HE LYS 19 2HE LYS 19 13.638 23.670 12.421
158 2HE LYS 19 3HE LYS 19 14.466 22.511 13.460
159 1HZ LYS 19 1HZ LYS 19 12.181 21.810 11.702
160 2HZ LYS 19 2HZ LYS 19 13.176 20.744 12.559
161 3HZ LYS 19 3HZ LYS 19 13.802 21.623 11.256
162 H VAL 20 H VAL 20 9.424 19.722 15.092
163 HA VAL 20 HA VAL 20 8.112 21.602 16.881
164 HB VAL 20 HB VAL 20 7.692 21.716 14.446
165 1HG1 VAL 20 1HG1 VAL 20 7.072 19.964 13.206
166 2HG1 VAL 20 2HG1 VAL 20 7.518 18.971 14.596
167 3HG1 VAL 20 3HG1 VAL 20 5.842 19.471 14.369
168 1HG2 VAL 20 1HG2 VAL 20 5.436 22.245 14.637
169 2HG2 VAL 20 2HG2 VAL 20 5.121 20.932 15.771
170 3HG2 VAL 20 3HG2 VAL 20 6.013 22.359 16.299
171 H THR 21 H THR 21 6.448 21.117 18.268
172 HA THR 21 HA THR 21 5.831 18.260 18.643
173 HB THR 21 HB THR 21 7.368 19.118 20.413
174 HG1 THR 21 1HG THR 21 6.359 17.809 21.746
175 1HG2 THR 21 1HG2 THR 21 6.859 20.864 21.803
176 2HG2 THR 21 2HG2 THR 21 5.118 20.648 21.617
177 3HG2 THR 21 3HG2 THR 21 6.052 21.419 20.337
178 H GLU 22 H GLU 22 3.797 17.915 19.916
179 HA GLU 22 HA GLU 22 1.748 19.746 18.921
180 1HB GLU 22 2HB GLU 22 1.792 17.108 18.726
181 2HB GLU 22 3HB GLU 22 1.086 17.200 20.334
182 1HG GLU 22 2HG GLU 22 -0.653 18.737 19.353
183 2HG GLU 22 3HG GLU 22 -0.019 18.299 17.767
184 H SER 23 H SER 23 1.020 21.282 20.219
185 HA SER 23 HA SER 23 1.242 20.934 23.120
186 1HB SER 23 2HB SER 23 2.244 22.969 22.174
187 2HB SER 23 3HB SER 23 0.684 23.427 21.492
188 HG SER 23 HG SER 23 0.777 24.499 23.385
189 H GLY 24 H GLY 24 -0.845 19.672 21.434
190 1HA GLY 24 2HA GLY 24 -3.285 21.091 22.115
191 2HA GLY 24 3HA GLY 24 -3.169 19.571 21.239
192 H GLU 25 H GLU 25 -2.968 21.027 24.453
193 HA GLU 25 HA GLU 25 -3.510 18.387 25.629
194 1HB GLU 25 2HB GLU 25 -2.817 19.479 27.783
195 2HB GLU 25 3HB GLU 25 -1.544 19.353 26.576
196 1HG GLU 25 2HG GLU 25 -1.615 21.639 26.095
197 2HG GLU 25 3HG GLU 25 -3.182 21.844 26.876
198 H ILE 26 H ILE 26 -4.705 21.648 25.310
199 HA ILE 26 HA ILE 26 -7.036 20.961 26.969
200 HB ILE 26 HB ILE 26 -5.800 22.983 27.666
201 1HG1 ILE 26 2HG1 ILE 26 -8.551 23.550 26.538
202 2HG1 ILE 26 3HG1 ILE 26 -8.220 22.783 28.087
203 1HG2 ILE 26 1HG2 ILE 26 -5.394 23.474 25.063
204 2HG2 ILE 26 2HG2 ILE 26 -6.770 24.537 25.349
205 3HG2 ILE 26 3HG2 ILE 26 -5.300 24.721 26.306
206 1HD1 ILE 26 1HD1 ILE 26 -8.266 24.791 29.005
207 2HD1 ILE 26 2HD1 ILE 26 -6.793 25.181 28.117
208 3HD1 ILE 26 3HD1 ILE 26 -8.368 25.565 27.423
209 H THR 27 H THR 27 -9.116 21.252 26.190
210 HA THR 27 HA THR 27 -9.525 22.209 23.482
211 HB THR 27 HB THR 27 -9.026 19.939 22.943
212 HG1 THR 27 1HG THR 27 -11.150 20.981 22.218
213 1HG2 THR 27 1HG2 THR 27 -10.940 19.196 25.157
214 2HG2 THR 27 2HG2 THR 27 -9.201 18.906 25.113
215 3HG2 THR 27 3HG2 THR 27 -10.266 18.053 23.997
216 H LYS 28 H LYS 28 -11.684 22.721 23.017
217 HA LYS 28 HA LYS 28 -13.395 22.897 25.395
218 1HB LYS 28 2HB LYS 28 -14.476 24.747 24.367
219 2HB LYS 28 3HB LYS 28 -12.750 24.983 24.124
220 1HG LYS 28 2HG LYS 28 -13.024 24.004 21.840
221 2HG LYS 28 3HG LYS 28 -14.768 24.028 22.108
222 1HD LYS 28 2HD LYS 28 -14.420 26.026 20.996
223 2HD LYS 28 3HD LYS 28 -14.379 26.534 22.687
224 1HE LYS 28 2HE LYS 28 -12.543 27.594 21.659
225 2HE LYS 28 3HE LYS 28 -11.864 26.242 22.565
226 1HZ LYS 28 1HZ LYS 28 -11.015 25.421 20.709
227 2HZ LYS 28 2HZ LYS 28 -11.545 26.790 19.871
228 3HZ LYS 28 3HZ LYS 28 -12.526 25.414 19.948
229 H SER 29 H SER 29 -15.439 22.073 25.443
230 HA SER 29 HA SER 29 -16.640 20.970 23.046
231 1HB SER 29 2HB SER 29 -15.574 18.978 23.488
232 2HB SER 29 3HB SER 29 -15.479 19.290 25.220
233 HG SER 29 HG SER 29 -17.673 18.361 23.707
234 H ALA 30 H ALA 30 -18.826 20.963 23.135
235 HA ALA 30 HA ALA 30 -20.092 22.314 25.314
236 1HB ALA 30 1HB ALA 30 -21.417 22.858 23.615
237 2HB ALA 30 2HB ALA 30 -20.766 21.563 22.611
238 3HB ALA 30 3HB ALA 30 -22.100 21.234 23.717
239 H HIS 31 H HIS 31 -20.662 19.086 23.894
240 HA HIS 31 HA HIS 31 -20.977 17.945 26.537
241 1HB HIS 31 2HB HIS 31 -23.266 18.430 24.693
242 2HB HIS 31 3HB HIS 31 -23.237 16.906 25.574
243 HD1 HIS 31 1HD HIS 31 -22.717 17.386 28.319
244 HD2 HIS 31 2HD HIS 31 -24.586 20.332 26.064
245 HE1 HIS 31 1HE HIS 31 -23.872 18.875 29.984
246 HA PRO 32 HA PRO 32 -19.426 14.316 24.624
247 1HB PRO 32 2HB PRO 32 -20.719 12.343 25.966
248 2HB PRO 32 3HB PRO 32 -19.445 13.327 26.697
249 1HG PRO 32 2HG PRO 32 -22.417 13.591 26.941
250 2HG PRO 32 3HG PRO 32 -21.175 13.723 28.200
251 1HD PRO 32 2HD PRO 32 -22.325 15.890 27.055
252 2HD PRO 32 3HD PRO 32 -20.644 15.891 27.625
253 H ALA 33 H ALA 33 -19.812 13.199 22.804
254 HA ALA 33 HA ALA 33 -22.361 13.343 21.538
255 1HB ALA 33 1HB ALA 33 -20.658 13.398 19.999
256 2HB ALA 33 2HB ALA 33 -19.713 12.167 20.837
257 3HB ALA 33 3HB ALA 33 -21.136 11.703 19.905
258 H ARG 34 H ARG 34 -24.039 12.089 21.991
259 HA ARG 34 HA ARG 34 -24.025 9.844 23.614
260 1HB ARG 34 2HB ARG 34 -26.280 9.387 22.741
261 2HB ARG 34 3HB ARG 34 -26.059 11.088 23.125
262 1HG ARG 34 2HG ARG 34 -25.552 11.436 20.669
263 2HG ARG 34 3HG ARG 34 -26.149 9.794 20.420
264 1HD ARG 34 2HD ARG 34 -27.745 11.925 21.822
265 2HD ARG 34 3HD ARG 34 -27.825 11.658 20.081
266 HE ARG 34 HE ARG 34 -28.280 9.263 21.566
267 1HH1 ARG 34 2HH1 ARG 34 -29.774 12.194 20.430
268 2HH1 ARG 34 1HH1 ARG 34 -31.375 11.531 20.427
269 1HH2 ARG 34 2HH2 ARG 34 -30.382 8.378 21.567
270 2HH2 ARG 34 1HH2 ARG 34 -31.720 9.360 21.075
271 H PHE 35 H PHE 35 -23.587 7.744 23.331
272 HA PHE 35 HA PHE 35 -22.630 6.885 20.719
273 1HB PHE 35 2HB PHE 35 -22.335 5.895 23.517
274 2HB PHE 35 3HB PHE 35 -22.153 4.738 22.203
275 HD1 PHE 35 1HD PHE 35 -20.208 4.696 20.866
276 HD2 PHE 35 2HD PHE 35 -20.824 7.861 23.644
277 HE1 PHE 35 1HE PHE 35 -17.881 5.426 20.545
278 HE2 PHE 35 2HE PHE 35 -18.498 8.598 23.326
279 HZ PHE 35 HZ PHE 35 -17.023 7.380 21.775
280 H SER 36 H SER 36 -24.781 5.548 23.232
281 HA SER 36 HA SER 36 -26.815 4.866 21.367
282 1HB SER 36 2HB SER 36 -24.808 2.793 22.114
283 2HB SER 36 3HB SER 36 -26.500 2.302 22.029
284 HG SER 36 HG SER 36 -26.561 2.909 19.898
285 HA PRO 37 HA PRO 37 -29.246 4.692 25.014
286 1HB PRO 37 2HB PRO 37 -31.139 2.855 24.371
287 2HB PRO 37 3HB PRO 37 -31.090 4.473 23.661
288 1HG PRO 37 2HG PRO 37 -30.115 1.879 22.529
289 2HG PRO 37 3HG PRO 37 -31.015 3.181 21.729
290 1HD PRO 37 2HD PRO 37 -28.338 2.875 21.453
291 2HD PRO 37 3HD PRO 37 -29.126 4.466 21.421
292 H ASP 38 H ASP 38 -28.192 1.565 23.749
293 HA ASP 38 HA ASP 38 -27.980 0.598 26.523
294 1HB ASP 38 2HB ASP 38 -29.156 -0.733 24.123
295 2HB ASP 38 3HB ASP 38 -28.301 -1.730 25.295
296 H ASP 39 H ASP 39 -26.136 -0.494 27.065
297 HA ASP 39 HA ASP 39 -23.902 -0.198 25.249
298 1HB ASP 39 2HB ASP 39 -23.778 0.331 27.711
299 2HB ASP 39 3HB ASP 39 -23.892 -1.400 28.022
300 H LYS 40 H LYS 40 -26.045 -2.682 26.290
301 HA LYS 40 HA LYS 40 -24.294 -4.843 25.457
302 1HB LYS 40 2HB LYS 40 -26.980 -4.648 26.744
303 2HB LYS 40 3HB LYS 40 -26.573 -6.129 25.886
304 1HG LYS 40 2HG LYS 40 -25.816 -6.714 27.931
305 2HG LYS 40 3HG LYS 40 -24.364 -5.894 27.354
306 1HD LYS 40 2HD LYS 40 -25.196 -3.806 28.433
307 2HD LYS 40 3HD LYS 40 -26.524 -4.745 29.119
308 1HE LYS 40 2HE LYS 40 -23.639 -5.478 29.545
309 2HE LYS 40 3HE LYS 40 -24.495 -4.359 30.603
310 1HZ LYS 40 1HZ LYS 40 -25.131 -6.161 31.712
311 2HZ LYS 40 2HZ LYS 40 -24.633 -7.213 30.485
312 3HZ LYS 40 3HZ LYS 40 -26.166 -6.500 30.418
313 H TYR 41 H TYR 41 -27.028 -3.035 24.243
314 HA TYR 41 HA TYR 41 -27.885 -4.713 22.197
315 1HB TYR 41 2HB TYR 41 -28.014 -1.797 22.730
316 2HB TYR 41 3HB TYR 41 -28.308 -2.307 21.071
317 HD1 TYR 41 1HD TYR 41 -29.299 -3.483 24.486
318 HD2 TYR 41 2HD TYR 41 -30.528 -2.533 20.524
319 HE1 TYR 41 1HE TYR 41 -31.618 -4.050 25.076
320 HE2 TYR 41 2HE TYR 41 -32.851 -3.096 21.105
321 HH TYR 41 HH TYR 41 -34.034 -3.243 24.026
322 H SER 42 H SER 42 -25.017 -2.802 22.463
323 HA SER 42 HA SER 42 -24.420 -2.813 19.644
324 1HB SER 42 2HB SER 42 -23.659 -1.071 21.389
325 2HB SER 42 3HB SER 42 -22.429 -2.254 21.835
326 HG SER 42 HG SER 42 -21.374 -1.809 20.069
327 H ARG 43 H ARG 43 -23.704 -4.791 22.420
328 HA ARG 43 HA ARG 43 -21.544 -6.233 21.231
329 1HB ARG 43 2HB ARG 43 -23.288 -6.718 23.637
330 2HB ARG 43 3HB ARG 43 -22.071 -7.879 23.124
331 1HG ARG 43 2HG ARG 43 -20.340 -6.162 23.372
332 2HG ARG 43 3HG ARG 43 -21.569 -5.017 23.915
333 1HD ARG 43 2HD ARG 43 -20.482 -5.906 25.849
334 2HD ARG 43 3HD ARG 43 -22.106 -6.588 25.775
335 HE ARG 43 HE ARG 43 -20.486 -8.402 24.493
336 1HH1 ARG 43 2HH1 ARG 43 -20.651 -6.972 27.663
337 2HH1 ARG 43 1HH1 ARG 43 -19.971 -8.349 28.463
338 1HH2 ARG 43 2HH2 ARG 43 -19.588 -10.222 25.535
339 2HH2 ARG 43 1HH2 ARG 43 -19.366 -10.197 27.251
340 H GLN 44 H GLN 44 -25.004 -6.508 21.196
341 HA GLN 44 HA GLN 44 -25.154 -9.224 20.372
342 1HB GLN 44 2HB GLN 44 -27.221 -7.137 19.727
343 2HB GLN 44 3HB GLN 44 -27.456 -8.851 20.041
344 1HG GLN 44 2HG GLN 44 -26.356 -8.013 22.383
345 2HG GLN 44 3HG GLN 44 -27.288 -6.598 21.897
346 1HE2 GLN 44 1HE2 GLN 44 -27.395 -9.498 23.493
347 2HE2 GLN 44 2HE2 GLN 44 -29.106 -9.732 23.530
348 H ARG 45 H ARG 45 -25.247 -6.141 18.612
349 HA ARG 45 HA ARG 45 -25.717 -7.068 16.056
350 1HB ARG 45 2HB ARG 45 -24.264 -4.716 17.173
351 2HB ARG 45 3HB ARG 45 -24.087 -5.059 15.458
352 1HG ARG 45 2HG ARG 45 -26.811 -4.933 16.667
353 2HG ARG 45 3HG ARG 45 -25.946 -3.444 16.280
354 1HD ARG 45 2HD ARG 45 -26.431 -5.681 14.319
355 2HD ARG 45 3HD ARG 45 -27.466 -4.261 14.474
356 HE ARG 45 HE ARG 45 -24.697 -3.630 14.039
357 1HH1 ARG 45 2HH1 ARG 45 -27.726 -4.417 12.515
358 2HH1 ARG 45 1HH1 ARG 45 -27.317 -3.659 11.013
359 1HH2 ARG 45 2HH2 ARG 45 -24.146 -2.628 12.066
360 2HH2 ARG 45 1HH2 ARG 45 -25.280 -2.642 10.758
361 H VAL 46 H VAL 46 -22.770 -7.178 17.936
362 HA VAL 46 HA VAL 46 -21.039 -7.863 15.775
363 HB VAL 46 HB VAL 46 -20.684 -8.310 18.743
364 1HG1 VAL 46 1HG1 VAL 46 -18.278 -8.462 18.191
365 2HG1 VAL 46 2HG1 VAL 46 -19.229 -9.776 17.492
366 3HG1 VAL 46 3HG1 VAL 46 -18.697 -8.433 16.477
367 1HG2 VAL 46 1HG2 VAL 46 -20.202 -6.150 18.922
368 2HG2 VAL 46 2HG2 VAL 46 -19.036 -6.256 17.604
369 3HG2 VAL 46 3HG2 VAL 46 -20.734 -5.929 17.255
370 H THR 47 H THR 47 -22.817 -9.719 18.205
371 HA THR 47 HA THR 47 -21.758 -12.247 17.650
372 HB THR 47 HB THR 47 -24.646 -12.028 18.363
373 HG1 THR 47 1HG THR 47 -22.499 -11.237 20.067
374 1HG2 THR 47 1HG2 THR 47 -22.321 -13.643 19.417
375 2HG2 THR 47 2HG2 THR 47 -23.595 -14.213 18.341
376 3HG2 THR 47 3HG2 THR 47 -23.979 -13.760 20.001
377 H LEU 48 H LEU 48 -21.730 -13.250 15.753
378 HA LEU 48 HA LEU 48 -23.560 -12.628 13.646
379 1HB LEU 48 2HB LEU 48 -22.382 -14.334 12.383
380 2HB LEU 48 3HB LEU 48 -21.250 -13.254 13.193
381 HG LEU 48 HG LEU 48 -21.265 -15.168 15.014
382 1HD1 LEU 48 1HD1 LEU 48 -22.717 -16.765 14.290
383 2HD1 LEU 48 2HD1 LEU 48 -21.245 -17.342 13.510
384 3HD1 LEU 48 3HD1 LEU 48 -22.428 -16.417 12.585
385 1HD2 LEU 48 1HD2 LEU 48 -19.410 -16.275 13.600
386 2HD2 LEU 48 2HD2 LEU 48 -19.224 -14.587 14.075
387 3HD2 LEU 48 3HD2 LEU 48 -19.747 -14.990 12.439
388 H LYS 49 H LYS 49 -23.832 -14.548 16.350
389 HA LYS 49 HA LYS 49 -25.064 -16.880 15.541
390 1HB LYS 49 2HB LYS 49 -25.507 -15.122 17.944
391 2HB LYS 49 3HB LYS 49 -26.397 -16.623 17.727
392 1HG LYS 49 2HG LYS 49 -24.383 -17.906 17.778
393 2HG LYS 49 3HG LYS 49 -23.393 -16.444 17.758
394 1HD LYS 49 2HD LYS 49 -23.356 -16.961 19.997
395 2HD LYS 49 3HD LYS 49 -24.745 -15.873 19.932
396 1HE LYS 49 2HE LYS 49 -25.167 -18.800 19.554
397 2HE LYS 49 3HE LYS 49 -24.897 -18.177 21.179
398 1HZ LYS 49 1HZ LYS 49 -26.734 -16.476 20.340
399 2HZ LYS 49 2HZ LYS 49 -27.126 -17.938 21.093
400 3HZ LYS 49 3HZ LYS 49 -27.179 -17.814 19.407
401 H LYS 50 H LYS 50 -26.311 -13.626 15.549
402 HA LYS 50 HA LYS 50 -29.037 -14.035 15.442
403 1HB LYS 50 2HB LYS 50 -29.081 -11.952 14.004
404 2HB LYS 50 3HB LYS 50 -28.233 -11.803 15.539
405 1HG LYS 50 2HG LYS 50 -26.275 -11.376 14.551
406 2HG LYS 50 3HG LYS 50 -26.520 -12.610 13.311
407 1HD LYS 50 2HD LYS 50 -28.283 -10.904 12.392
408 2HD LYS 50 3HD LYS 50 -27.343 -9.739 13.328
409 1HE LYS 50 2HE LYS 50 -25.334 -10.338 12.124
410 2HE LYS 50 3HE LYS 50 -26.197 -11.607 11.256
411 1HZ LYS 50 1HZ LYS 50 -25.895 -9.537 9.966
412 2HZ LYS 50 2HZ LYS 50 -26.872 -8.723 11.081
413 3HZ LYS 50 3HZ LYS 50 -27.519 -9.977 10.148
414 H ARG 51 H ARG 51 -30.054 -15.503 14.241
415 HA ARG 51 HA ARG 51 -29.272 -15.781 11.413
416 1HB ARG 51 2HB ARG 51 -29.004 -17.810 12.872
417 2HB ARG 51 3HB ARG 51 -30.747 -17.807 13.099
418 1HG ARG 51 2HG ARG 51 -31.168 -18.517 10.971
419 2HG ARG 51 3HG ARG 51 -29.688 -17.807 10.325
420 1HD ARG 51 2HD ARG 51 -29.760 -20.198 12.157
421 2HD ARG 51 3HD ARG 51 -29.695 -20.304 10.398
422 HE ARG 51 HE ARG 51 -27.601 -18.696 11.528
423 1HH1 ARG 51 2HH1 ARG 51 -28.590 -21.930 10.703
424 2HH1 ARG 51 1HH1 ARG 51 -26.970 -22.531 10.568
425 1HH2 ARG 51 2HH2 ARG 51 -25.465 -19.475 11.352
426 2HH2 ARG 51 1HH2 ARG 51 -25.194 -21.133 10.938
427 H PHE 52 H PHE 52 -31.851 -15.115 13.630
428 HA PHE 52 HA PHE 52 -34.003 -14.436 13.350
429 1HB PHE 52 2HB PHE 52 -32.777 -13.639 10.722
430 2HB PHE 52 3HB PHE 52 -34.485 -13.363 11.045
431 HD1 PHE 52 1HD PHE 52 -31.075 -12.609 12.272
432 HD2 PHE 52 2HD PHE 52 -35.190 -11.523 12.304
433 HE1 PHE 52 1HE PHE 52 -30.510 -10.517 13.439
434 HE2 PHE 52 2HE PHE 52 -34.632 -9.429 13.470
435 HZ PHE 52 HZ PHE 52 -32.290 -8.924 14.038
436 H GLY 53 H GLY 53 -33.416 -17.194 12.896
437 1HA GLY 53 2HA GLY 53 -35.337 -17.885 10.767
438 2HA GLY 53 3HA GLY 53 -34.087 -18.959 11.378
439 H LEU 54 H LEU 54 -36.310 -16.970 13.273
440 HA LEU 54 HA LEU 54 -36.927 -18.951 15.120
441 1HB LEU 54 2HB LEU 54 -37.344 -16.450 15.263
442 2HB LEU 54 3HB LEU 54 -38.811 -16.744 14.330
443 HG LEU 54 HG LEU 54 -39.692 -18.138 16.118
444 1HD1 LEU 54 1HD1 LEU 54 -38.286 -17.850 18.348
445 2HD1 LEU 54 2HD1 LEU 54 -36.953 -17.795 17.196
446 3HD1 LEU 54 3HD1 LEU 54 -38.022 -19.195 17.239
447 1HD2 LEU 54 1HD2 LEU 54 -40.546 -16.197 16.783
448 2HD2 LEU 54 2HD2 LEU 54 -39.070 -15.328 16.362
449 3HD2 LEU 54 3HD2 LEU 54 -39.222 -16.095 17.944
450 H VAL 55 H VAL 55 -39.224 -17.707 12.691
451 HA VAL 55 HA VAL 55 -40.053 -20.422 12.055
452 HB VAL 55 HB VAL 55 -42.030 -18.389 13.097
453 1HG1 VAL 55 1HG1 VAL 55 -42.311 -20.817 11.509
454 2HG1 VAL 55 2HG1 VAL 55 -43.293 -20.823 12.975
455 3HG1 VAL 55 3HG1 VAL 55 -43.463 -19.515 11.804
456 1HG2 VAL 55 1HG2 VAL 55 -40.876 -19.264 14.966
457 2HG2 VAL 55 2HG2 VAL 55 -42.391 -20.163 14.867
458 3HG2 VAL 55 3HG2 VAL 55 -40.891 -20.899 14.303
459 HA PRO 56 HA PRO 56 -40.018 -17.487 8.459
460 1HB PRO 56 2HB PRO 56 -38.657 -19.161 6.811
461 2HB PRO 56 3HB PRO 56 -37.855 -18.054 7.931
462 1HG PRO 56 2HG PRO 56 -38.409 -20.980 8.232
463 2HG PRO 56 3HG PRO 56 -36.939 -20.073 8.631
464 1HD PRO 56 2HD PRO 56 -38.753 -20.806 10.503
465 2HD PRO 56 3HD PRO 56 -37.800 -19.313 10.630
466 H GLY 57 H GLY 57 -42.152 -17.608 7.897
467 1HA GLY 57 2HA GLY 57 -43.475 -20.043 7.230
468 2HA GLY 57 3HA GLY 57 -44.095 -18.419 6.966
469 H GLN 58 H GLN 58 -43.492 -17.302 5.028
470 HA GLN 58 HA GLN 58 -43.338 -19.076 2.770
471 1HB GLN 58 2HB GLN 58 -44.711 -16.901 2.979
472 2HB GLN 58 3HB GLN 58 -43.199 -16.076 2.626
473 1HG GLN 58 2HG GLN 58 -44.164 -16.238 0.547
474 2HG GLN 58 3HG GLN 58 -43.101 -17.645 0.574
475 1HE2 GLN 58 1HE2 GLN 58 -44.200 -18.937 -0.799
476 2HE2 GLN 58 2HE2 GLN 58 -45.794 -19.536 -0.504
Start of MODEL 11
1 1H HIS 2 H HIS 2 14.698 20.493 26.959
2 HA HIS 2 HA HIS 2 12.744 21.386 25.298
3 1HB HIS 2 2HB HIS 2 15.305 21.350 23.701
4 2HB HIS 2 3HB HIS 2 13.702 21.840 23.160
5 HD1 HIS 2 1HD HIS 2 12.981 24.233 23.635
6 HD2 HIS 2 2HD HIS 2 16.647 23.255 25.325
7 HE1 HIS 2 1HE HIS 2 13.958 26.411 24.426
8 H LEU 3 H LEU 3 11.744 19.656 24.457
9 HA LEU 3 HA LEU 3 12.855 17.062 24.847
10 1HB LEU 3 2HB LEU 3 10.451 17.588 23.146
11 2HB LEU 3 3HB LEU 3 10.785 16.223 24.210
12 HG LEU 3 HG LEU 3 10.002 19.013 25.050
13 1HD1 LEU 3 1HD1 LEU 3 7.924 18.269 24.862
14 2HD1 LEU 3 2HD1 LEU 3 8.282 17.037 26.070
15 3HD1 LEU 3 3HD1 LEU 3 8.499 16.680 24.357
16 1HD2 LEU 3 1HD2 LEU 3 9.853 17.839 27.325
17 2HD2 LEU 3 2HD2 LEU 3 11.451 18.299 26.736
18 3HD2 LEU 3 3HD2 LEU 3 10.915 16.623 26.617
19 H MET 4 H MET 4 13.812 15.701 23.441
20 HA MET 4 HA MET 4 14.035 16.577 20.637
21 1HB MET 4 2HB MET 4 16.296 15.602 20.602
22 2HB MET 4 3HB MET 4 16.160 16.905 21.774
23 1HG MET 4 2HG MET 4 15.677 14.162 22.761
24 2HG MET 4 3HG MET 4 17.330 14.576 22.313
25 1HE MET 4 1HE MET 4 18.765 14.853 24.348
26 2HE MET 4 2HE MET 4 18.090 15.181 25.944
27 3HE MET 4 3HE MET 4 17.533 13.785 25.021
28 H TYR 5 H TYR 5 12.227 14.637 22.093
29 HA TYR 5 HA TYR 5 12.256 12.604 20.088
30 1HB TYR 5 2HB TYR 5 12.652 10.680 21.500
31 2HB TYR 5 3HB TYR 5 14.030 11.768 21.618
32 HD1 TYR 5 1HD TYR 5 14.007 13.427 23.628
33 HD2 TYR 5 2HD TYR 5 11.653 9.888 23.441
34 HE1 TYR 5 1HE TYR 5 13.784 13.452 26.078
35 HE2 TYR 5 2HE TYR 5 11.422 9.904 25.889
36 HH TYR 5 HH TYR 5 11.884 12.409 27.764
37 H THR 6 H THR 6 10.223 11.988 19.736
38 HA THR 6 HA THR 6 8.149 12.865 21.559
39 HB THR 6 HB THR 6 6.577 12.304 19.843
40 HG1 THR 6 1HG THR 6 8.745 10.839 18.749
41 1HG2 THR 6 1HG2 THR 6 7.142 14.054 18.572
42 2HG2 THR 6 2HG2 THR 6 8.557 13.219 17.931
43 3HG2 THR 6 3HG2 THR 6 8.666 14.094 19.458
44 H LEU 7 H LEU 7 6.756 11.575 22.698
45 HA LEU 7 HA LEU 7 7.633 8.827 23.120
46 1HB LEU 7 2HB LEU 7 5.600 10.499 24.590
47 2HB LEU 7 3HB LEU 7 6.116 8.878 25.054
48 HG LEU 7 HG LEU 7 7.753 11.407 25.106
49 1HD1 LEU 7 1HD1 LEU 7 6.425 11.338 27.025
50 2HD1 LEU 7 2HD1 LEU 7 7.962 10.643 27.537
51 3HD1 LEU 7 3HD1 LEU 7 6.590 9.589 27.189
52 1HD2 LEU 7 1HD2 LEU 7 9.531 10.118 24.735
53 2HD2 LEU 7 2HD2 LEU 7 8.584 8.636 24.866
54 3HD2 LEU 7 3HD2 LEU 7 9.220 9.408 26.319
55 H GLY 8 H GLY 8 6.197 7.040 23.072
56 1HA GLY 8 2HA GLY 8 4.137 7.320 21.026
57 2HA GLY 8 3HA GLY 8 4.790 5.811 21.648
58 HA PRO 9 HA PRO 9 0.545 6.681 23.464
59 1HB PRO 9 2HB PRO 9 -0.651 4.439 22.507
60 2HB PRO 9 3HB PRO 9 -0.601 5.961 21.607
61 1HG PRO 9 2HG PRO 9 1.128 3.534 21.320
62 2HG PRO 9 3HG PRO 9 0.396 4.542 20.058
63 1HD PRO 9 2HD PRO 9 2.993 4.776 20.784
64 2HD PRO 9 3HD PRO 9 2.030 6.158 20.224
65 H ASP 10 H ASP 10 2.984 4.334 23.587
66 HA ASP 10 HA ASP 10 1.704 2.923 25.823
67 1HB ASP 10 2HB ASP 10 2.609 1.560 23.935
68 2HB ASP 10 3HB ASP 10 4.217 2.165 24.323
69 H GLY 11 H GLY 11 4.167 5.181 25.038
70 1HA GLY 11 2HA GLY 11 4.981 6.554 26.892
71 2HA GLY 11 3HA GLY 11 5.109 5.078 27.837
72 H LYS 12 H LYS 12 6.077 4.356 24.762
73 HA LYS 12 HA LYS 12 8.826 4.158 25.537
74 1HB LYS 12 2HB LYS 12 7.614 2.525 24.051
75 2HB LYS 12 3HB LYS 12 7.649 3.745 22.786
76 1HG LYS 12 2HG LYS 12 10.048 3.699 22.728
77 2HG LYS 12 3HG LYS 12 10.099 2.616 24.122
78 1HD LYS 12 2HD LYS 12 9.659 0.797 22.876
79 2HD LYS 12 3HD LYS 12 8.460 1.644 21.893
80 1HE LYS 12 2HE LYS 12 10.597 2.839 20.923
81 2HE LYS 12 3HE LYS 12 11.405 1.386 21.509
82 1HZ LYS 12 1HZ LYS 12 10.440 1.475 19.112
83 2HZ LYS 12 2HZ LYS 12 8.977 1.110 19.879
84 3HZ LYS 12 3HZ LYS 12 10.295 0.060 20.029
85 H ARG 13 H ARG 13 10.615 5.035 24.253
86 HA ARG 13 HA ARG 13 10.001 7.755 23.307
87 1HB ARG 13 2HB ARG 13 12.502 8.119 23.810
88 2HB ARG 13 3HB ARG 13 11.390 8.012 25.168
89 1HG ARG 13 2HG ARG 13 12.621 5.478 24.300
90 2HG ARG 13 3HG ARG 13 13.701 6.666 25.032
91 1HD ARG 13 2HD ARG 13 13.015 5.886 27.005
92 2HD ARG 13 3HD ARG 13 11.483 6.695 26.679
93 HE ARG 13 HE ARG 13 10.516 4.648 26.377
94 1HH1 ARG 13 2HH1 ARG 13 13.972 4.308 26.144
95 2HH1 ARG 13 1HH1 ARG 13 13.927 2.577 26.067
96 1HH2 ARG 13 2HH2 ARG 13 10.444 2.370 26.277
97 2HH2 ARG 13 1HH2 ARG 13 11.919 1.476 26.143
98 H ILE 14 H ILE 14 10.941 8.517 21.417
99 HA ILE 14 HA ILE 14 12.539 6.647 19.833
100 HB ILE 14 HB ILE 14 10.086 8.022 18.733
101 1HG1 ILE 14 2HG1 ILE 14 10.525 5.067 19.195
102 2HG1 ILE 14 3HG1 ILE 14 9.630 6.104 20.301
103 1HG2 ILE 14 1HG2 ILE 14 11.822 7.797 17.072
104 2HG2 ILE 14 2HG2 ILE 14 12.041 6.097 17.484
105 3HG2 ILE 14 3HG2 ILE 14 10.537 6.637 16.737
106 1HD1 ILE 14 1HD1 ILE 14 7.999 5.065 19.004
107 2HD1 ILE 14 2HD1 ILE 14 8.164 6.670 18.293
108 3HD1 ILE 14 3HD1 ILE 14 8.916 5.279 17.514
109 H TYR 15 H TYR 15 14.296 8.039 20.152
110 HA TYR 15 HA TYR 15 14.379 10.778 19.843
111 1HB TYR 15 2HB TYR 15 16.563 8.884 18.961
112 2HB TYR 15 3HB TYR 15 16.752 10.555 19.480
113 HD1 TYR 15 1HD TYR 15 16.504 7.111 20.532
114 HD2 TYR 15 2HD TYR 15 16.337 11.144 21.881
115 HE1 TYR 15 1HE TYR 15 16.852 6.347 22.844
116 HE2 TYR 15 2HE TYR 15 16.686 10.390 24.196
117 HH TYR 15 HH TYR 15 17.080 6.942 24.966
118 H THR 16 H THR 16 13.424 11.805 18.192
119 HA THR 16 HA THR 16 14.338 11.149 15.476
120 HB THR 16 HB THR 16 11.512 12.048 15.977
121 HG1 THR 16 1HG THR 16 11.076 9.690 15.644
122 1HG2 THR 16 1HG2 THR 16 11.229 10.792 13.778
123 2HG2 THR 16 2HG2 THR 16 12.991 10.749 13.699
124 3HG2 THR 16 3HG2 THR 16 12.145 12.297 13.716
125 H LEU 17 H LEU 17 14.542 13.334 17.770
126 HA LEU 17 HA LEU 17 14.818 15.592 17.909
127 1HB LEU 17 2HB LEU 17 16.299 14.649 15.821
128 2HB LEU 17 3HB LEU 17 15.371 15.936 15.052
129 HG LEU 17 HG LEU 17 17.573 16.704 15.795
130 1HD1 LEU 17 1HD1 LEU 17 15.235 17.869 17.298
131 2HD1 LEU 17 2HD1 LEU 17 15.803 18.328 15.694
132 3HD1 LEU 17 3HD1 LEU 17 16.803 18.655 17.109
133 1HD2 LEU 17 1HD2 LEU 17 17.184 16.897 18.588
134 2HD2 LEU 17 2HD2 LEU 17 18.430 16.004 17.716
135 3HD2 LEU 17 3HD2 LEU 17 16.908 15.216 18.132
136 H LYS 18 H LYS 18 12.151 14.629 17.232
137 HA LYS 18 HA LYS 18 10.921 16.199 15.255
138 1HB LYS 18 2HB LYS 18 10.016 14.613 17.591
139 2HB LYS 18 3HB LYS 18 8.895 15.828 16.991
140 1HG LYS 18 2HG LYS 18 9.657 14.611 14.682
141 2HG LYS 18 3HG LYS 18 9.701 13.268 15.827
142 1HD LYS 18 2HD LYS 18 7.455 13.291 16.143
143 2HD LYS 18 3HD LYS 18 7.341 15.043 15.973
144 1HE LYS 18 2HE LYS 18 6.226 13.801 14.142
145 2HE LYS 18 3HE LYS 18 7.507 14.873 13.581
146 1HZ LYS 18 1HZ LYS 18 7.363 12.472 12.677
147 2HZ LYS 18 2HZ LYS 18 8.108 12.047 14.134
148 3HZ LYS 18 3HZ LYS 18 8.877 13.116 13.072
149 H LYS 19 H LYS 19 11.317 18.348 15.258
150 HA LYS 19 HA LYS 19 11.620 19.999 17.483
151 1HB LYS 19 2HB LYS 19 12.256 20.598 15.155
152 2HB LYS 19 3HB LYS 19 10.551 20.787 14.766
153 1HG LYS 19 2HG LYS 19 10.363 22.751 15.906
154 2HG LYS 19 3HG LYS 19 11.638 22.335 17.055
155 1HD LYS 19 2HD LYS 19 12.188 22.906 14.151
156 2HD LYS 19 3HD LYS 19 12.170 24.170 15.384
157 1HE LYS 19 2HE LYS 19 13.803 22.486 16.610
158 2HE LYS 19 3HE LYS 19 14.099 21.946 14.958
159 1HZ LYS 19 1HZ LYS 19 14.834 24.437 16.253
160 2HZ LYS 19 2HZ LYS 19 14.289 24.580 14.659
161 3HZ LYS 19 3HZ LYS 19 15.613 23.590 15.014
162 H VAL 20 H VAL 20 10.177 20.249 19.059
163 HA VAL 20 HA VAL 20 7.350 19.983 18.614
164 HB VAL 20 HB VAL 20 8.405 19.240 20.719
165 1HG1 VAL 20 1HG1 VAL 20 8.831 22.190 21.187
166 2HG1 VAL 20 2HG1 VAL 20 9.052 20.925 22.398
167 3HG1 VAL 20 3HG1 VAL 20 10.084 20.967 20.968
168 1HG2 VAL 20 1HG2 VAL 20 6.650 19.908 22.135
169 2HG2 VAL 20 2HG2 VAL 20 6.475 21.464 21.325
170 3HG2 VAL 20 3HG2 VAL 20 5.977 19.983 20.507
171 H THR 21 H THR 21 5.780 21.563 18.712
172 HA THR 21 HA THR 21 6.627 24.209 17.938
173 HB THR 21 HB THR 21 3.842 23.120 18.390
174 HG1 THR 21 1HG THR 21 5.450 23.415 16.059
175 1HG2 THR 21 1HG2 THR 21 3.964 25.574 18.576
176 2HG2 THR 21 2HG2 THR 21 3.077 25.065 17.139
177 3HG2 THR 21 3HG2 THR 21 4.736 25.644 16.992
178 H GLU 22 H GLU 22 7.073 25.777 19.330
179 HA GLU 22 HA GLU 22 6.434 25.564 22.110
180 1HB GLU 22 2HB GLU 22 7.537 27.759 22.303
181 2HB GLU 22 3HB GLU 22 8.515 26.603 21.411
182 1HG GLU 22 2HG GLU 22 7.871 27.621 19.316
183 2HG GLU 22 3HG GLU 22 6.799 28.736 20.162
184 H SER 23 H SER 23 4.979 26.728 23.318
185 HA SER 23 HA SER 23 2.587 27.533 22.037
186 1HB SER 23 2HB SER 23 3.256 28.348 24.847
187 2HB SER 23 3HB SER 23 1.709 27.835 24.177
188 HG SER 23 HG SER 23 3.143 26.324 25.546
189 H GLY 24 H GLY 24 5.097 29.396 23.749
190 1HA GLY 24 2HA GLY 24 5.871 31.532 23.245
191 2HA GLY 24 3HA GLY 24 4.648 31.649 21.989
192 H GLU 25 H GLU 25 4.942 33.873 23.313
193 HA GLU 25 HA GLU 25 2.958 33.902 25.479
194 1HB GLU 25 2HB GLU 25 3.864 36.093 26.070
195 2HB GLU 25 3HB GLU 25 5.136 34.879 26.027
196 1HG GLU 25 2HG GLU 25 5.577 35.696 23.644
197 2HG GLU 25 3HG GLU 25 4.587 37.089 24.081
198 H ILE 26 H ILE 26 1.571 35.911 25.551
199 HA ILE 26 HA ILE 26 0.760 36.721 22.838
200 HB ILE 26 HB ILE 26 -1.095 36.080 25.134
201 1HG1 ILE 26 2HG1 ILE 26 -0.916 34.678 22.471
202 2HG1 ILE 26 3HG1 ILE 26 0.015 34.151 23.868
203 1HG2 ILE 26 1HG2 ILE 26 -2.671 36.288 22.945
204 2HG2 ILE 26 2HG2 ILE 26 -2.385 37.598 24.089
205 3HG2 ILE 26 3HG2 ILE 26 -1.454 37.515 22.594
206 1HD1 ILE 26 1HD1 ILE 26 -1.718 32.981 24.569
207 2HD1 ILE 26 2HD1 ILE 26 -2.679 34.455 24.683
208 3HD1 ILE 26 3HD1 ILE 26 -2.658 33.530 23.182
209 H THR 27 H THR 27 0.179 38.832 22.554
210 HA THR 27 HA THR 27 0.685 40.615 24.832
211 HB THR 27 HB THR 27 2.118 41.087 22.954
212 HG1 THR 27 1HG THR 27 1.600 43.005 23.817
213 1HG2 THR 27 1HG2 THR 27 1.226 40.318 21.001
214 2HG2 THR 27 2HG2 THR 27 0.767 42.014 20.851
215 3HG2 THR 27 3HG2 THR 27 -0.409 40.829 21.419
216 H LYS 28 H LYS 28 -0.740 42.258 25.379
217 HA LYS 28 HA LYS 28 -3.497 41.715 24.941
218 1HB LYS 28 2HB LYS 28 -2.810 42.658 27.044
219 2HB LYS 28 3HB LYS 28 -2.078 44.043 26.242
220 1HG LYS 28 2HG LYS 28 -4.083 45.070 25.874
221 2HG LYS 28 3HG LYS 28 -4.980 43.551 25.837
222 1HD LYS 28 2HD LYS 28 -3.701 44.549 28.362
223 2HD LYS 28 3HD LYS 28 -5.301 45.102 27.862
224 1HE LYS 28 2HE LYS 28 -4.490 42.227 28.288
225 2HE LYS 28 3HE LYS 28 -5.415 43.207 29.425
226 1HZ LYS 28 1HZ LYS 28 -6.397 41.675 27.342
227 2HZ LYS 28 2HZ LYS 28 -6.618 43.282 26.867
228 3HZ LYS 28 3HZ LYS 28 -7.266 42.737 28.331
229 H SER 29 H SER 29 -4.568 42.174 23.144
230 HA SER 29 HA SER 29 -3.755 44.519 21.565
231 1HB SER 29 2HB SER 29 -3.880 42.061 20.620
232 2HB SER 29 3HB SER 29 -5.603 42.420 20.495
233 HG SER 29 HG SER 29 -3.503 43.962 19.365
234 H ALA 30 H ALA 30 -5.434 44.646 23.941
235 HA ALA 30 HA ALA 30 -7.754 45.946 22.711
236 1HB ALA 30 1HB ALA 30 -8.742 44.877 25.091
237 2HB ALA 30 2HB ALA 30 -9.146 44.379 23.447
238 3HB ALA 30 3HB ALA 30 -7.853 43.562 24.324
239 H HIS 31 H HIS 31 -8.552 47.720 23.838
240 HA HIS 31 HA HIS 31 -6.918 48.591 26.131
241 1HB HIS 31 2HB HIS 31 -7.834 50.046 23.696
242 2HB HIS 31 3HB HIS 31 -7.741 50.946 25.207
243 HD1 HIS 31 1HD HIS 31 -5.504 48.805 23.007
244 HD2 HIS 31 2HD HIS 31 -5.259 51.882 25.788
245 HE1 HIS 31 1HE HIS 31 -3.088 49.501 23.030
246 HA PRO 32 HA PRO 32 -10.546 49.148 28.531
247 1HB PRO 32 2HB PRO 32 -10.010 51.439 29.887
248 2HB PRO 32 3HB PRO 32 -9.195 49.908 30.228
249 1HG PRO 32 2HG PRO 32 -8.247 52.238 28.605
250 2HG PRO 32 3HG PRO 32 -7.354 51.258 29.782
251 1HD PRO 32 2HD PRO 32 -7.122 50.895 27.109
252 2HD PRO 32 3HD PRO 32 -6.978 49.559 28.269
253 H ALA 33 H ALA 33 -12.300 50.743 29.105
254 HA ALA 33 HA ALA 33 -13.408 51.842 26.757
255 1HB ALA 33 1HB ALA 33 -14.198 51.506 29.527
256 2HB ALA 33 2HB ALA 33 -14.779 53.026 28.847
257 3HB ALA 33 3HB ALA 33 -15.181 51.500 28.061
258 H ARG 34 H ARG 34 -12.369 53.482 25.770
259 HA ARG 34 HA ARG 34 -10.898 55.507 27.020
260 1HB ARG 34 2HB ARG 34 -12.290 55.540 24.336
261 2HB ARG 34 3HB ARG 34 -11.080 56.704 24.859
262 1HG ARG 34 2HG ARG 34 -9.354 55.223 24.639
263 2HG ARG 34 3HG ARG 34 -10.382 53.816 24.920
264 1HD ARG 34 2HD ARG 34 -11.100 53.735 22.741
265 2HD ARG 34 3HD ARG 34 -10.842 55.460 22.481
266 HE ARG 34 HE ARG 34 -8.395 54.053 22.899
267 1HH1 ARG 34 2HH1 ARG 34 -10.830 54.812 20.530
268 2HH1 ARG 34 1HH1 ARG 34 -9.761 54.627 19.180
269 1HH2 ARG 34 2HH2 ARG 34 -6.977 53.805 21.129
270 2HH2 ARG 34 1HH2 ARG 34 -7.570 54.052 19.522
271 H PHE 35 H PHE 35 -11.367 57.743 27.312
272 HA PHE 35 HA PHE 35 -14.224 58.272 27.795
273 1HB PHE 35 2HB PHE 35 -13.548 59.785 29.580
274 2HB PHE 35 3HB PHE 35 -12.847 58.192 29.847
275 HD1 PHE 35 1HD PHE 35 -10.435 57.815 29.293
276 HD2 PHE 35 2HD PHE 35 -12.195 61.690 29.351
277 HE1 PHE 35 1HE PHE 35 -8.197 58.824 29.454
278 HE2 PHE 35 2HE PHE 35 -9.960 62.706 29.510
279 HZ PHE 35 HZ PHE 35 -7.958 61.273 29.561
280 H SER 36 H SER 36 -15.152 59.987 26.845
281 HA SER 36 HA SER 36 -13.526 62.153 25.787
282 1HB SER 36 2HB SER 36 -13.587 60.480 23.959
283 2HB SER 36 3HB SER 36 -15.349 60.537 23.986
284 HG SER 36 HG SER 36 -14.650 61.930 22.401
285 HA PRO 37 HA PRO 37 -17.626 63.421 27.565
286 1HB PRO 37 2HB PRO 37 -16.603 65.402 29.113
287 2HB PRO 37 3HB PRO 37 -16.712 63.721 29.651
288 1HG PRO 37 2HG PRO 37 -14.359 65.210 28.549
289 2HG PRO 37 3HG PRO 37 -14.431 64.088 29.920
290 1HD PRO 37 2HD PRO 37 -13.529 63.348 27.475
291 2HD PRO 37 3HD PRO 37 -14.377 62.227 28.560
292 H ASP 38 H ASP 38 -15.163 64.784 25.672
293 HA ASP 38 HA ASP 38 -16.538 67.326 25.288
294 1HB ASP 38 2HB ASP 38 -14.018 67.142 25.441
295 2HB ASP 38 3HB ASP 38 -14.057 66.342 23.873
296 H ASP 39 H ASP 39 -17.345 64.465 24.332
297 HA ASP 39 HA ASP 39 -17.435 64.739 21.470
298 1HB ASP 39 2HB ASP 39 -18.423 62.741 23.459
299 2HB ASP 39 3HB ASP 39 -19.137 62.747 21.849
300 H LYS 40 H LYS 40 -19.408 65.678 24.131
301 HA LYS 40 HA LYS 40 -21.872 65.890 22.695
302 1HB LYS 40 2HB LYS 40 -20.903 66.929 25.347
303 2HB LYS 40 3HB LYS 40 -22.476 67.383 24.706
304 1HG LYS 40 2HG LYS 40 -22.733 64.767 24.450
305 2HG LYS 40 3HG LYS 40 -21.525 64.768 25.738
306 1HD LYS 40 2HD LYS 40 -24.044 66.405 25.890
307 2HD LYS 40 3HD LYS 40 -23.970 64.732 26.449
308 1HE LYS 40 2HE LYS 40 -22.265 67.019 27.433
309 2HE LYS 40 3HE LYS 40 -23.621 66.290 28.292
310 1HZ LYS 40 1HZ LYS 40 -20.978 65.107 27.697
311 2HZ LYS 40 2HZ LYS 40 -22.305 64.141 28.106
312 3HZ LYS 40 3HZ LYS 40 -21.733 65.298 29.199
313 H TYR 41 H TYR 41 -19.125 67.963 23.235
314 HA TYR 41 HA TYR 41 -20.362 70.408 22.490
315 1HB TYR 41 2HB TYR 41 -17.555 69.461 22.851
316 2HB TYR 41 3HB TYR 41 -17.820 70.960 21.969
317 HD1 TYR 41 1HD TYR 41 -19.164 69.374 25.085
318 HD2 TYR 41 2HD TYR 41 -17.577 72.863 23.236
319 HE1 TYR 41 1HE TYR 41 -19.361 70.586 27.215
320 HE2 TYR 41 2HE TYR 41 -17.769 74.083 25.362
321 HH TYR 41 HH TYR 41 -17.877 73.579 27.772
322 H SER 42 H SER 42 -19.514 67.684 20.710
323 HA SER 42 HA SER 42 -18.895 69.059 18.245
324 1HB SER 42 2HB SER 42 -17.919 66.824 18.869
325 2HB SER 42 3HB SER 42 -19.519 66.124 18.632
326 HG SER 42 HG SER 42 -18.670 65.892 16.679
327 H ARG 43 H ARG 43 -21.661 68.722 19.899
328 HA ARG 43 HA ARG 43 -23.412 67.988 17.711
329 1HB ARG 43 2HB ARG 43 -23.747 68.605 20.605
330 2HB ARG 43 3HB ARG 43 -25.134 68.849 19.552
331 1HG ARG 43 2HG ARG 43 -25.560 66.701 20.005
332 2HG ARG 43 3HG ARG 43 -24.335 66.382 18.776
333 1HD ARG 43 2HD ARG 43 -23.577 65.081 20.516
334 2HD ARG 43 3HD ARG 43 -22.681 66.576 20.786
335 HE ARG 43 HE ARG 43 -23.873 66.911 22.721
336 1HH1 ARG 43 2HH1 ARG 43 -25.370 64.385 20.850
337 2HH1 ARG 43 1HH1 ARG 43 -26.456 63.913 22.115
338 1HH2 ARG 43 2HH2 ARG 43 -25.297 66.299 24.394
339 2HH2 ARG 43 1HH2 ARG 43 -26.414 65.003 24.129
340 H GLN 44 H GLN 44 -21.780 70.735 18.573
341 HA GLN 44 HA GLN 44 -23.634 72.798 18.299
342 1HB GLN 44 2HB GLN 44 -21.814 74.243 18.045
343 2HB GLN 44 3HB GLN 44 -21.149 72.901 18.968
344 1HG GLN 44 2HG GLN 44 -20.905 73.131 15.982
345 2HG GLN 44 3HG GLN 44 -19.708 73.766 17.109
346 1HE2 GLN 44 1HE2 GLN 44 -18.196 72.439 17.879
347 2HE2 GLN 44 2HE2 GLN 44 -18.148 70.731 17.626
348 H ARG 45 H ARG 45 -22.295 70.666 15.942
349 HA ARG 45 HA ARG 45 -22.480 72.134 13.604
350 1HB ARG 45 2HB ARG 45 -21.932 69.522 14.227
351 2HB ARG 45 3HB ARG 45 -23.454 69.376 13.359
352 1HG ARG 45 2HG ARG 45 -22.163 69.315 11.538
353 2HG ARG 45 3HG ARG 45 -22.077 71.067 11.740
354 1HD ARG 45 2HD ARG 45 -20.098 69.020 12.730
355 2HD ARG 45 3HD ARG 45 -19.853 70.197 11.440
356 HE ARG 45 HE ARG 45 -20.497 71.355 14.000
357 1HH1 ARG 45 2HH1 ARG 45 -17.960 70.232 11.896
358 2HH1 ARG 45 1HH1 ARG 45 -16.734 71.201 12.643
359 1HH2 ARG 45 2HH2 ARG 45 -18.890 72.635 14.991
360 2HH2 ARG 45 1HH2 ARG 45 -17.264 72.567 14.404
361 H VAL 46 H VAL 46 -25.017 70.444 15.383
362 HA VAL 46 HA VAL 46 -27.045 70.988 13.424
363 HB VAL 46 HB VAL 46 -27.489 70.201 16.302
364 1HG1 VAL 46 1HG1 VAL 46 -29.529 69.155 15.370
365 2HG1 VAL 46 2HG1 VAL 46 -29.492 70.907 15.156
366 3HG1 VAL 46 3HG1 VAL 46 -29.129 69.843 13.796
367 1HG2 VAL 46 1HG2 VAL 46 -27.688 67.919 14.716
368 2HG2 VAL 46 2HG2 VAL 46 -26.211 68.718 14.177
369 3HG2 VAL 46 3HG2 VAL 46 -26.415 68.296 15.877
370 H THR 47 H THR 47 -26.204 72.300 16.614
371 HA THR 47 HA THR 47 -28.297 74.143 16.830
372 HB THR 47 HB THR 47 -25.557 74.728 17.916
373 HG1 THR 47 1HG THR 47 -26.303 73.330 19.720
374 1HG2 THR 47 1HG2 THR 47 -28.292 75.599 18.410
375 2HG2 THR 47 2HG2 THR 47 -26.766 76.350 18.876
376 3HG2 THR 47 3HG2 THR 47 -27.467 75.081 19.880
377 H LEU 48 H LEU 48 -28.646 76.144 16.040
378 HA LEU 48 HA LEU 48 -26.590 77.808 14.987
379 1HB LEU 48 2HB LEU 48 -28.098 76.049 13.170
380 2HB LEU 48 3HB LEU 48 -27.994 77.737 12.677
381 HG LEU 48 HG LEU 48 -25.384 76.977 13.381
382 1HD1 LEU 48 1HD1 LEU 48 -26.706 74.647 12.884
383 2HD1 LEU 48 2HD1 LEU 48 -24.977 74.902 12.652
384 3HD1 LEU 48 3HD1 LEU 48 -26.082 75.058 11.287
385 1HD2 LEU 48 1HD2 LEU 48 -26.395 77.044 10.565
386 2HD2 LEU 48 2HD2 LEU 48 -24.875 77.650 11.221
387 3HD2 LEU 48 3HD2 LEU 48 -26.381 78.508 11.548
388 H LYS 49 H LYS 49 -27.254 79.749 15.591
389 HA LYS 49 HA LYS 49 -30.133 80.359 15.468
390 1HB LYS 49 2HB LYS 49 -27.988 81.171 17.395
391 2HB LYS 49 3HB LYS 49 -29.385 82.214 17.159
392 1HG LYS 49 2HG LYS 49 -30.098 80.958 18.923
393 2HG LYS 49 3HG LYS 49 -30.715 79.990 17.581
394 1HD LYS 49 2HD LYS 49 -29.698 78.379 18.876
395 2HD LYS 49 3HD LYS 49 -28.396 78.797 17.758
396 1HE LYS 49 2HE LYS 49 -27.190 79.903 19.364
397 2HE LYS 49 3HE LYS 49 -28.620 80.307 20.314
398 1HZ LYS 49 1HZ LYS 49 -26.966 77.916 20.375
399 2HZ LYS 49 2HZ LYS 49 -28.631 77.667 20.538
400 3HZ LYS 49 3HZ LYS 49 -27.816 78.678 21.623
401 H LYS 50 H LYS 50 -26.903 81.457 14.698
402 HA LYS 50 HA LYS 50 -27.441 84.075 13.911
403 1HB LYS 50 2HB LYS 50 -25.365 82.059 13.150
404 2HB LYS 50 3HB LYS 50 -25.464 83.568 12.252
405 1HG LYS 50 2HG LYS 50 -23.968 84.189 13.835
406 2HG LYS 50 3HG LYS 50 -25.456 84.592 14.694
407 1HD LYS 50 2HD LYS 50 -25.244 82.851 16.153
408 2HD LYS 50 3HD LYS 50 -24.405 81.831 14.983
409 1HE LYS 50 2HE LYS 50 -22.875 82.455 16.736
410 2HE LYS 50 3HE LYS 50 -22.400 83.257 15.240
411 1HZ LYS 50 1HZ LYS 50 -22.548 85.196 16.267
412 2HZ LYS 50 2HZ LYS 50 -22.974 84.423 17.709
413 3HZ LYS 50 3HZ LYS 50 -24.178 84.923 16.631
414 H ARG 51 H ARG 51 -26.978 84.650 11.420
415 HA ARG 51 HA ARG 51 -28.020 84.901 9.408
416 1HB ARG 51 2HB ARG 51 -26.931 82.354 9.540
417 2HB ARG 51 3HB ARG 51 -28.567 82.075 8.959
418 1HG ARG 51 2HG ARG 51 -26.729 84.095 7.711
419 2HG ARG 51 3HG ARG 51 -26.784 82.406 7.204
420 1HD ARG 51 2HD ARG 51 -29.317 83.976 7.367
421 2HD ARG 51 3HD ARG 51 -28.241 84.208 5.989
422 HE ARG 51 HE ARG 51 -28.841 81.451 6.526
423 1HH1 ARG 51 2HH1 ARG 51 -29.907 84.347 4.914
424 2HH1 ARG 51 1HH1 ARG 51 -30.851 83.499 3.735
425 1HH2 ARG 51 2HH2 ARG 51 -30.081 80.323 4.978
426 2HH2 ARG 51 1HH2 ARG 51 -30.950 81.211 3.773
427 H PHE 52 H PHE 52 -29.735 85.027 11.683
428 HA PHE 52 HA PHE 52 -32.060 83.548 11.576
429 1HB PHE 52 2HB PHE 52 -31.474 86.367 12.412
430 2HB PHE 52 3HB PHE 52 -33.137 85.786 12.398
431 HD1 PHE 52 1HD PHE 52 -30.319 86.200 14.378
432 HD2 PHE 52 2HD PHE 52 -33.423 83.403 13.573
433 HE1 PHE 52 1HE PHE 52 -29.976 85.187 16.594
434 HE2 PHE 52 2HE PHE 52 -33.087 82.386 15.787
435 HZ PHE 52 HZ PHE 52 -31.362 83.278 17.301
436 H GLY 53 H GLY 53 -30.992 86.121 9.477
437 1HA GLY 53 2HA GLY 53 -33.552 86.557 8.249
438 2HA GLY 53 3HA GLY 53 -32.003 87.163 7.679
439 H LEU 54 H LEU 54 -33.750 84.070 7.992
440 HA LEU 54 HA LEU 54 -32.323 82.859 5.838
441 1HB LEU 54 2HB LEU 54 -33.570 81.775 7.842
442 2HB LEU 54 3HB LEU 54 -34.989 81.908 6.805
443 HG LEU 54 HG LEU 54 -33.207 80.678 5.145
444 1HD1 LEU 54 1HD1 LEU 54 -31.472 80.203 6.577
445 2HD1 LEU 54 2HD1 LEU 54 -32.448 78.741 6.715
446 3HD1 LEU 54 3HD1 LEU 54 -32.534 79.979 7.967
447 1HD2 LEU 54 1HD2 LEU 54 -35.427 79.790 6.900
448 2HD2 LEU 54 2HD2 LEU 54 -34.449 78.545 6.124
449 3HD2 LEU 54 3HD2 LEU 54 -35.285 79.750 5.143
450 H VAL 55 H VAL 55 -35.328 84.623 6.139
451 HA VAL 55 HA VAL 55 -36.809 85.422 4.606
452 HB VAL 55 HB VAL 55 -34.623 84.955 2.576
453 1HG1 VAL 55 1HG1 VAL 55 -35.707 86.499 1.214
454 2HG1 VAL 55 2HG1 VAL 55 -37.034 85.550 1.887
455 3HG1 VAL 55 3HG1 VAL 55 -36.667 87.146 2.544
456 1HG2 VAL 55 1HG2 VAL 55 -33.786 86.211 4.522
457 2HG2 VAL 55 2HG2 VAL 55 -33.845 87.201 3.062
458 3HG2 VAL 55 3HG2 VAL 55 -35.084 87.385 4.304
459 HA PRO 56 HA PRO 56 -37.812 81.083 3.268
460 1HB PRO 56 2HB PRO 56 -40.235 81.014 4.489
461 2HB PRO 56 3HB PRO 56 -38.732 80.577 5.311
462 1HG PRO 56 2HG PRO 56 -40.264 83.148 5.403
463 2HG PRO 56 3HG PRO 56 -39.498 82.254 6.729
464 1HD PRO 56 2HD PRO 56 -38.353 84.423 5.582
465 2HD PRO 56 3HD PRO 56 -37.402 83.076 6.239
466 H GLY 57 H GLY 57 -38.431 81.091 1.198
467 1HA GLY 57 2HA GLY 57 -41.042 81.992 0.448
468 2HA GLY 57 3HA GLY 57 -39.783 83.050 -0.171
469 H GLN 58 H GLN 58 -39.084 82.593 -2.141
470 HA GLN 58 HA GLN 58 -38.807 79.821 -2.986
471 1HB GLN 58 2HB GLN 58 -41.120 80.541 -3.621
472 2HB GLN 58 3HB GLN 58 -40.404 81.793 -4.627
473 1HG GLN 58 2HG GLN 58 -39.473 80.223 -6.106
474 2HG GLN 58 3HG GLN 58 -39.753 78.888 -4.989
475 1HE2 GLN 58 1HE2 GLN 58 -40.772 80.172 -7.778
476 2HE2 GLN 58 2HE2 GLN 58 -42.420 79.650 -7.780
Start of MODEL 12
1 1H HIS 2 H HIS 2 11.523 19.900 27.687
2 HA HIS 2 HA HIS 2 12.540 21.151 25.220
3 1HB HIS 2 2HB HIS 2 13.802 20.967 27.951
4 2HB HIS 2 3HB HIS 2 14.750 21.290 26.502
5 HD1 HIS 2 1HD HIS 2 11.787 22.980 25.782
6 HD2 HIS 2 2HD HIS 2 14.891 23.713 28.444
7 HE1 HIS 2 1HE HIS 2 11.657 25.436 26.307
8 H LEU 3 H LEU 3 11.536 18.407 25.749
9 HA LEU 3 HA LEU 3 13.826 16.679 25.770
10 1HB LEU 3 2HB LEU 3 10.982 16.070 24.980
11 2HB LEU 3 3HB LEU 3 12.239 14.892 25.353
12 HG LEU 3 HG LEU 3 12.226 16.201 27.673
13 1HD1 LEU 3 1HD1 LEU 3 9.614 16.817 26.381
14 2HD1 LEU 3 2HD1 LEU 3 10.614 17.813 27.437
15 3HD1 LEU 3 3HD1 LEU 3 9.660 16.493 28.113
16 1HD2 LEU 3 1HD2 LEU 3 11.228 13.766 26.678
17 2HD2 LEU 3 2HD2 LEU 3 9.984 14.424 27.742
18 3HD2 LEU 3 3HD2 LEU 3 11.622 14.177 28.349
19 H MET 4 H MET 4 14.685 15.494 24.062
20 HA MET 4 HA MET 4 14.117 16.610 21.402
21 1HB MET 4 2HB MET 4 16.589 15.423 22.629
22 2HB MET 4 3HB MET 4 16.407 15.518 20.883
23 1HG MET 4 2HG MET 4 17.510 17.465 21.264
24 2HG MET 4 3HG MET 4 15.848 18.030 21.409
25 1HE MET 4 1HE MET 4 17.415 19.859 22.130
26 2HE MET 4 2HE MET 4 16.629 20.338 23.634
27 3HE MET 4 3HE MET 4 18.340 19.911 23.630
28 H TYR 5 H TYR 5 12.418 14.628 22.459
29 HA TYR 5 HA TYR 5 12.530 12.705 20.350
30 1HB TYR 5 2HB TYR 5 12.735 10.695 21.718
31 2HB TYR 5 3HB TYR 5 14.167 11.703 21.898
32 HD1 TYR 5 1HD TYR 5 14.198 13.297 23.952
33 HD2 TYR 5 2HD TYR 5 11.628 9.923 23.609
34 HE1 TYR 5 1HE TYR 5 13.913 13.273 26.396
35 HE2 TYR 5 2HE TYR 5 11.337 9.890 26.051
36 HH TYR 5 HH TYR 5 11.720 10.979 27.966
37 H THR 6 H THR 6 10.553 11.831 19.954
38 HA THR 6 HA THR 6 8.348 12.831 21.572
39 HB THR 6 HB THR 6 6.895 12.117 19.761
40 HG1 THR 6 1HG THR 6 7.816 10.262 19.001
41 1HG2 THR 6 1HG2 THR 6 9.376 13.504 18.738
42 2HG2 THR 6 2HG2 THR 6 7.987 14.278 19.502
43 3HG2 THR 6 3HG2 THR 6 7.808 13.494 17.933
44 H LEU 7 H LEU 7 6.859 11.568 22.626
45 HA LEU 7 HA LEU 7 7.716 8.849 23.221
46 1HB LEU 7 2HB LEU 7 5.534 10.540 24.432
47 2HB LEU 7 3HB LEU 7 6.025 8.946 25.002
48 HG LEU 7 HG LEU 7 7.623 11.499 25.108
49 1HD1 LEU 7 1HD1 LEU 7 6.424 9.707 27.209
50 2HD1 LEU 7 2HD1 LEU 7 5.999 11.381 26.855
51 3HD1 LEU 7 3HD1 LEU 7 7.574 10.999 27.549
52 1HD2 LEU 7 1HD2 LEU 7 9.443 10.225 24.977
53 2HD2 LEU 7 2HD2 LEU 7 8.500 8.736 25.052
54 3HD2 LEU 7 3HD2 LEU 7 8.974 9.556 26.540
55 H GLY 8 H GLY 8 6.250 7.054 23.177
56 1HA GLY 8 2HA GLY 8 4.394 7.236 20.923
57 2HA GLY 8 3HA GLY 8 5.023 5.756 21.631
58 HA PRO 9 HA PRO 9 0.629 6.562 23.075
59 1HB PRO 9 2HB PRO 9 -0.424 4.256 22.102
60 2HB PRO 9 3HB PRO 9 -0.341 5.747 21.157
61 1HG PRO 9 2HG PRO 9 1.469 3.364 21.096
62 2HG PRO 9 3HG PRO 9 0.817 4.309 19.744
63 1HD PRO 9 2HD PRO 9 3.339 4.642 20.672
64 2HD PRO 9 3HD PRO 9 2.389 5.977 19.987
65 H ASP 10 H ASP 10 3.110 4.292 23.477
66 HA ASP 10 HA ASP 10 1.688 2.924 25.656
67 1HB ASP 10 2HB ASP 10 2.767 1.521 23.890
68 2HB ASP 10 3HB ASP 10 4.327 2.172 24.384
69 H GLY 11 H GLY 11 4.151 5.215 24.982
70 1HA GLY 11 2HA GLY 11 4.799 6.669 26.834
71 2HA GLY 11 3HA GLY 11 4.871 5.234 27.846
72 H LYS 12 H LYS 12 6.098 4.409 24.893
73 HA LYS 12 HA LYS 12 8.782 4.315 25.901
74 1HB LYS 12 2HB LYS 12 7.557 2.649 24.316
75 2HB LYS 12 3HB LYS 12 8.043 3.762 23.044
76 1HG LYS 12 2HG LYS 12 10.327 3.376 23.430
77 2HG LYS 12 3HG LYS 12 10.016 2.600 24.984
78 1HD LYS 12 2HD LYS 12 8.819 1.410 22.528
79 2HD LYS 12 3HD LYS 12 10.545 1.181 22.824
80 1HE LYS 12 2HE LYS 12 10.093 0.169 24.961
81 2HE LYS 12 3HE LYS 12 8.375 0.534 24.815
82 1HZ LYS 12 1HZ LYS 12 9.402 -1.813 24.175
83 2HZ LYS 12 2HZ LYS 12 9.558 -1.048 22.676
84 3HZ LYS 12 3HZ LYS 12 8.036 -1.178 23.404
85 H ARG 13 H ARG 13 10.642 5.096 24.579
86 HA ARG 13 HA ARG 13 10.072 7.804 23.579
87 1HB ARG 13 2HB ARG 13 12.581 8.122 24.017
88 2HB ARG 13 3HB ARG 13 11.518 8.014 25.413
89 1HG ARG 13 2HG ARG 13 12.771 5.513 24.422
90 2HG ARG 13 3HG ARG 13 13.785 6.677 25.279
91 1HD ARG 13 2HD ARG 13 12.856 6.192 27.256
92 2HD ARG 13 3HD ARG 13 11.225 6.204 26.587
93 HE ARG 13 HE ARG 13 12.209 3.875 25.670
94 1HH1 ARG 13 2HH1 ARG 13 12.143 5.311 28.841
95 2HH1 ARG 13 1HH1 ARG 13 12.083 3.790 29.671
96 1HH2 ARG 13 2HH2 ARG 13 12.132 1.868 26.750
97 2HH2 ARG 13 1HH2 ARG 13 12.078 1.833 28.480
98 H ILE 14 H ILE 14 10.836 8.475 21.613
99 HA ILE 14 HA ILE 14 12.502 6.671 20.039
100 HB ILE 14 HB ILE 14 9.808 7.639 19.073
101 1HG1 ILE 14 2HG1 ILE 14 10.810 4.827 19.568
102 2HG1 ILE 14 3HG1 ILE 14 9.727 5.711 20.637
103 1HG2 ILE 14 1HG2 ILE 14 10.341 6.307 17.048
104 2HG2 ILE 14 2HG2 ILE 14 11.392 7.705 17.269
105 3HG2 ILE 14 3HG2 ILE 14 11.977 6.091 17.668
106 1HD1 ILE 14 1HD1 ILE 14 9.139 4.197 18.261
107 2HD1 ILE 14 2HD1 ILE 14 8.051 4.814 19.505
108 3HD1 ILE 14 3HD1 ILE 14 8.512 5.841 18.146
109 H TYR 15 H TYR 15 14.109 7.890 19.323
110 HA TYR 15 HA TYR 15 14.165 10.675 19.311
111 1HB TYR 15 2HB TYR 15 15.840 8.575 17.973
112 2HB TYR 15 3HB TYR 15 16.127 10.279 17.639
113 HD1 TYR 15 1HD TYR 15 17.468 11.542 19.071
114 HD2 TYR 15 2HD TYR 15 15.886 7.837 20.440
115 HE1 TYR 15 1HE TYR 15 18.841 11.714 21.104
116 HE2 TYR 15 2HE TYR 15 17.254 7.999 22.477
117 HH TYR 15 HH TYR 15 18.329 10.125 23.808
118 H THR 16 H THR 16 12.568 11.725 18.242
119 HA THR 16 HA THR 16 12.639 11.589 15.325
120 HB THR 16 HB THR 16 9.900 11.862 16.321
121 HG1 THR 16 1HG THR 16 9.781 9.501 16.638
122 1HG2 THR 16 1HG2 THR 16 9.795 9.888 14.537
123 2HG2 THR 16 2HG2 THR 16 11.371 10.547 14.101
124 3HG2 THR 16 3HG2 THR 16 9.942 11.578 14.057
125 H LEU 17 H LEU 17 13.423 13.490 17.508
126 HA LEU 17 HA LEU 17 11.687 15.680 17.616
127 1HB LEU 17 2HB LEU 17 13.890 15.141 18.907
128 2HB LEU 17 3HB LEU 17 14.651 16.048 17.602
129 HG LEU 17 HG LEU 17 14.273 17.431 19.586
130 1HD1 LEU 17 1HD1 LEU 17 13.816 19.253 18.354
131 2HD1 LEU 17 2HD1 LEU 17 12.304 18.588 17.736
132 3HD1 LEU 17 3HD1 LEU 17 13.838 18.115 17.007
133 1HD2 LEU 17 1HD2 LEU 17 11.329 17.342 19.122
134 2HD2 LEU 17 2HD2 LEU 17 12.230 17.778 20.575
135 3HD2 LEU 17 3HD2 LEU 17 12.086 16.084 20.100
136 H LYS 18 H LYS 18 11.033 17.037 16.096
137 HA LYS 18 HA LYS 18 10.853 18.117 14.097
138 1HB LYS 18 2HB LYS 18 13.038 19.064 15.330
139 2HB LYS 18 3HB LYS 18 13.802 18.420 13.883
140 1HG LYS 18 2HG LYS 18 12.339 19.785 12.491
141 2HG LYS 18 3HG LYS 18 11.549 20.420 13.936
142 1HD LYS 18 2HD LYS 18 13.146 22.041 13.225
143 2HD LYS 18 3HD LYS 18 13.792 21.267 14.675
144 1HE LYS 18 2HE LYS 18 15.540 21.510 13.019
145 2HE LYS 18 3HE LYS 18 15.167 19.803 13.253
146 1HZ LYS 18 1HZ LYS 18 13.932 21.378 11.076
147 2HZ LYS 18 2HZ LYS 18 14.054 19.698 11.219
148 3HZ LYS 18 3HZ LYS 18 15.432 20.621 10.882
149 H LYS 19 H LYS 19 10.976 15.320 13.874
150 HA LYS 19 HA LYS 19 12.785 14.257 12.079
151 1HB LYS 19 2HB LYS 19 10.912 12.701 11.425
152 2HB LYS 19 3HB LYS 19 11.235 12.801 13.150
153 1HG LYS 19 2HG LYS 19 9.265 13.866 13.602
154 2HG LYS 19 3HG LYS 19 9.156 14.582 11.992
155 1HD LYS 19 2HD LYS 19 8.959 11.617 12.312
156 2HD LYS 19 3HD LYS 19 7.558 12.631 12.672
157 1HE LYS 19 2HE LYS 19 7.776 13.630 10.407
158 2HE LYS 19 3HE LYS 19 9.074 12.487 10.067
159 1HZ LYS 19 1HZ LYS 19 7.148 11.533 9.180
160 2HZ LYS 19 2HZ LYS 19 6.209 11.913 10.534
161 3HZ LYS 19 3HZ LYS 19 7.390 10.706 10.636
162 H VAL 20 H VAL 20 10.098 16.402 11.495
163 HA VAL 20 HA VAL 20 9.918 16.024 8.689
164 HB VAL 20 HB VAL 20 9.183 18.521 10.218
165 1HG1 VAL 20 1HG1 VAL 20 8.777 19.206 8.118
166 2HG1 VAL 20 2HG1 VAL 20 8.783 17.563 7.473
167 3HG1 VAL 20 3HG1 VAL 20 7.335 18.200 8.255
168 1HG2 VAL 20 1HG2 VAL 20 7.816 17.159 11.370
169 2HG2 VAL 20 2HG2 VAL 20 6.851 17.158 9.894
170 3HG2 VAL 20 3HG2 VAL 20 7.982 15.843 10.209
171 H THR 21 H THR 21 11.179 16.738 7.101
172 HA THR 21 HA THR 21 13.442 18.444 7.750
173 HB THR 21 HB THR 21 12.749 17.054 5.154
174 HG1 THR 21 1HG THR 21 14.517 16.364 7.281
175 1HG2 THR 21 1HG2 THR 21 14.193 18.761 4.519
176 2HG2 THR 21 2HG2 THR 21 15.303 17.430 4.848
177 3HG2 THR 21 3HG2 THR 21 15.082 18.711 6.040
178 H GLU 22 H GLU 22 12.673 20.515 7.951
179 HA GLU 22 HA GLU 22 10.743 21.785 6.443
180 1HB GLU 22 2HB GLU 22 11.455 22.976 8.311
181 2HB GLU 22 3HB GLU 22 13.156 22.771 7.918
182 1HG GLU 22 2HG GLU 22 13.207 24.573 6.567
183 2HG GLU 22 3HG GLU 22 11.560 24.323 5.989
184 H SER 23 H SER 23 10.639 22.745 4.486
185 HA SER 23 HA SER 23 13.043 22.573 2.793
186 1HB SER 23 2HB SER 23 11.116 21.136 2.110
187 2HB SER 23 3HB SER 23 10.153 22.597 1.893
188 HG SER 23 HG SER 23 11.866 21.471 0.189
189 H GLY 24 H GLY 24 10.570 24.645 4.044
190 1HA GLY 24 2HA GLY 24 10.556 26.758 2.263
191 2HA GLY 24 3HA GLY 24 10.352 26.931 3.999
192 H GLU 25 H GLU 25 12.585 26.636 5.196
193 HA GLU 25 HA GLU 25 14.448 28.478 3.858
194 1HB GLU 25 2HB GLU 25 15.126 29.250 5.994
195 2HB GLU 25 3HB GLU 25 13.371 29.165 6.043
196 1HG GLU 25 2HG GLU 25 13.589 26.943 7.159
197 2HG GLU 25 3HG GLU 25 15.325 27.230 7.257
198 H ILE 26 H ILE 26 16.663 28.074 3.868
199 HA ILE 26 HA ILE 26 17.576 25.496 4.903
200 HB ILE 26 HB ILE 26 16.980 25.012 2.599
201 1HG1 ILE 26 2HG1 ILE 26 19.983 25.272 2.697
202 2HG1 ILE 26 3HG1 ILE 26 19.111 24.103 3.682
203 1HG2 ILE 26 1HG2 ILE 26 18.151 26.166 0.741
204 2HG2 ILE 26 2HG2 ILE 26 17.058 27.215 1.644
205 3HG2 ILE 26 3HG2 ILE 26 18.798 27.315 1.913
206 1HD1 ILE 26 1HD1 ILE 26 19.529 22.765 1.927
207 2HD1 ILE 26 2HD1 ILE 26 18.078 23.530 1.277
208 3HD1 ILE 26 3HD1 ILE 26 19.672 24.110 0.796
209 H THR 27 H THR 27 19.739 25.421 5.440
210 HA THR 27 HA THR 27 21.281 27.898 5.041
211 HB THR 27 HB THR 27 20.587 27.990 7.320
212 HG1 THR 27 1HG THR 27 22.791 28.467 7.039
213 1HG2 THR 27 1HG2 THR 27 20.918 25.096 7.183
214 2HG2 THR 27 2HG2 THR 27 19.907 26.069 8.252
215 3HG2 THR 27 3HG2 THR 27 21.604 25.799 8.647
216 H LYS 28 H LYS 28 23.323 27.640 4.353
217 HA LYS 28 HA LYS 28 24.824 25.240 4.836
218 1HB LYS 28 2HB LYS 28 23.314 24.638 2.908
219 2HB LYS 28 3HB LYS 28 24.131 25.879 1.967
220 1HG LYS 28 2HG LYS 28 26.079 24.680 1.813
221 2HG LYS 28 3HG LYS 28 25.760 23.767 3.290
222 1HD LYS 28 2HD LYS 28 23.923 23.405 0.976
223 2HD LYS 28 3HD LYS 28 25.523 22.661 0.902
224 1HE LYS 28 2HE LYS 28 24.926 21.795 3.283
225 2HE LYS 28 3HE LYS 28 23.267 22.133 2.795
226 1HZ LYS 28 1HZ LYS 28 25.153 20.379 1.315
227 2HZ LYS 28 2HZ LYS 28 23.534 20.665 0.918
228 3HZ LYS 28 3HZ LYS 28 23.921 19.837 2.341
229 H SER 29 H SER 29 27.028 25.402 4.118
230 HA SER 29 HA SER 29 27.978 28.122 4.167
231 1HB SER 29 2HB SER 29 29.334 25.431 4.166
232 2HB SER 29 3HB SER 29 30.255 26.927 4.007
233 HG SER 29 HG SER 29 29.918 26.054 6.208
234 H ALA 30 H ALA 30 29.914 28.617 2.646
235 HA ALA 30 HA ALA 30 29.091 27.935 -0.102
236 1HB ALA 30 1HB ALA 30 30.337 30.488 0.913
237 2HB ALA 30 2HB ALA 30 29.968 30.132 -0.774
238 3HB ALA 30 3HB ALA 30 28.662 30.267 0.404
239 H HIS 31 H HIS 31 30.769 27.814 -1.706
240 HA HIS 31 HA HIS 31 33.448 27.287 -0.607
241 1HB HIS 31 2HB HIS 31 31.786 25.579 -2.433
242 2HB HIS 31 3HB HIS 31 33.545 25.495 -2.494
243 HD1 HIS 31 1HD HIS 31 34.158 23.401 -1.329
244 HD2 HIS 31 2HD HIS 31 31.207 25.498 0.709
245 HE1 HIS 31 1HE HIS 31 33.773 22.120 0.800
246 HA PRO 32 HA PRO 32 33.609 30.323 -4.130
247 1HB PRO 32 2HB PRO 32 35.222 32.091 -2.849
248 2HB PRO 32 3HB PRO 32 33.461 32.119 -2.706
249 1HG PRO 32 2HG PRO 32 35.495 30.970 -0.835
250 2HG PRO 32 3HG PRO 32 34.047 31.925 -0.464
251 1HD PRO 32 2HD PRO 32 34.119 29.229 -0.213
252 2HD PRO 32 3HD PRO 32 32.645 30.107 -0.667
253 H ALA 33 H ALA 33 34.881 29.147 -5.498
254 HA ALA 33 HA ALA 33 37.742 29.491 -5.244
255 1HB ALA 33 1HB ALA 33 38.006 26.946 -5.749
256 2HB ALA 33 2HB ALA 33 37.797 27.499 -4.087
257 3HB ALA 33 3HB ALA 33 36.427 26.825 -4.970
258 H ARG 34 H ARG 34 38.776 29.501 -7.197
259 HA ARG 34 HA ARG 34 37.698 28.340 -9.560
260 1HB ARG 34 2HB ARG 34 36.863 31.029 -8.875
261 2HB ARG 34 3HB ARG 34 37.745 31.008 -10.397
262 1HG ARG 34 2HG ARG 34 35.382 29.254 -9.762
263 2HG ARG 34 3HG ARG 34 35.305 30.767 -10.669
264 1HD ARG 34 2HD ARG 34 36.554 29.886 -12.453
265 2HD ARG 34 3HD ARG 34 37.105 28.512 -11.496
266 HE ARG 34 HE ARG 34 34.303 28.436 -11.702
267 1HH1 ARG 34 2HH1 ARG 34 37.158 28.002 -13.646
268 2HH1 ARG 34 1HH1 ARG 34 36.404 26.887 -14.736
269 1HH2 ARG 34 2HH2 ARG 34 33.299 26.969 -13.131
270 2HH2 ARG 34 1HH2 ARG 34 34.209 26.301 -14.443
271 H PHE 35 H PHE 35 38.963 29.091 -11.535
272 HA PHE 35 HA PHE 35 41.753 29.537 -10.718
273 1HB PHE 35 2HB PHE 35 40.818 28.376 -13.343
274 2HB PHE 35 3HB PHE 35 42.438 28.323 -12.655
275 HD1 PHE 35 1HD PHE 35 39.281 26.676 -12.923
276 HD2 PHE 35 2HD PHE 35 42.794 26.975 -10.539
277 HE1 PHE 35 1HE PHE 35 38.767 24.498 -11.900
278 HE2 PHE 35 2HE PHE 35 42.286 24.797 -9.512
279 HZ PHE 35 HZ PHE 35 40.272 23.555 -10.193
280 H SER 36 H SER 36 43.093 30.530 -12.592
281 HA SER 36 HA SER 36 41.603 32.840 -13.657
282 1HB SER 36 2HB SER 36 44.439 32.702 -12.614
283 2HB SER 36 3HB SER 36 43.780 34.089 -13.481
284 HG SER 36 HG SER 36 43.062 34.702 -11.613
285 HA PRO 37 HA PRO 37 43.451 30.407 -17.181
286 1HB PRO 37 2HB PRO 37 41.174 30.343 -18.657
287 2HB PRO 37 3HB PRO 37 41.558 29.129 -17.431
288 1HG PRO 37 2HG PRO 37 39.761 31.515 -17.236
289 2HG PRO 37 3HG PRO 37 39.499 29.866 -16.640
290 1HD PRO 37 2HD PRO 37 40.295 31.888 -15.025
291 2HD PRO 37 3HD PRO 37 40.791 30.204 -14.761
292 H ASP 38 H ASP 38 41.774 33.389 -16.759
293 HA ASP 38 HA ASP 38 42.397 34.328 -19.446
294 1HB ASP 38 2HB ASP 38 40.213 34.852 -18.252
295 2HB ASP 38 3HB ASP 38 41.146 35.920 -17.208
296 H ASP 39 H ASP 39 44.306 33.792 -17.032
297 HA ASP 39 HA ASP 39 45.482 36.300 -16.410
298 1HB ASP 39 2HB ASP 39 45.709 34.127 -15.100
299 2HB ASP 39 3HB ASP 39 46.880 33.628 -16.317
300 H LYS 40 H LYS 40 45.735 34.161 -19.094
301 HA LYS 40 HA LYS 40 48.285 35.142 -20.010
302 1HB LYS 40 2HB LYS 40 47.039 32.845 -20.475
303 2HB LYS 40 3HB LYS 40 46.385 33.745 -21.837
304 1HG LYS 40 2HG LYS 40 48.216 32.923 -22.862
305 2HG LYS 40 3HG LYS 40 48.972 34.343 -22.137
306 1HD LYS 40 2HD LYS 40 48.871 31.685 -20.735
307 2HD LYS 40 3HD LYS 40 50.174 32.116 -21.845
308 1HE LYS 40 2HE LYS 40 51.114 32.836 -19.903
309 2HE LYS 40 3HE LYS 40 50.223 34.296 -20.330
310 1HZ LYS 40 1HZ LYS 40 49.835 32.492 -18.123
311 2HZ LYS 40 2HZ LYS 40 48.401 32.863 -18.941
312 3HZ LYS 40 3HZ LYS 40 49.353 34.105 -18.300
313 H TYR 41 H TYR 41 44.906 35.846 -20.588
314 HA TYR 41 HA TYR 41 45.115 37.320 -22.947
315 1HB TYR 41 2HB TYR 41 43.173 37.179 -20.705
316 2HB TYR 41 3HB TYR 41 43.084 38.598 -21.742
317 HD1 TYR 41 1HD TYR 41 41.508 38.459 -23.409
318 HD2 TYR 41 2HD TYR 41 43.537 34.912 -22.223
319 HE1 TYR 41 1HE TYR 41 40.217 37.174 -25.063
320 HE2 TYR 41 2HE TYR 41 42.253 33.617 -23.874
321 HH TYR 41 HH TYR 41 40.929 34.549 -26.315
322 H SER 42 H SER 42 45.993 38.121 -19.693
323 HA SER 42 HA SER 42 46.314 40.950 -20.357
324 1HB SER 42 2HB SER 42 45.265 40.249 -18.180
325 2HB SER 42 3HB SER 42 46.830 39.586 -17.706
326 HG SER 42 HG SER 42 47.445 41.525 -17.217
327 H ARG 43 H ARG 43 48.006 38.781 -21.478
328 HA ARG 43 HA ARG 43 50.554 38.821 -20.259
329 1HB ARG 43 2HB ARG 43 51.371 37.887 -22.367
330 2HB ARG 43 3HB ARG 43 49.887 37.092 -21.861
331 1HG ARG 43 2HG ARG 43 48.617 38.433 -23.455
332 2HG ARG 43 3HG ARG 43 50.102 39.242 -23.957
333 1HD ARG 43 2HD ARG 43 49.593 36.277 -24.165
334 2HD ARG 43 3HD ARG 43 49.413 37.425 -25.490
335 HE ARG 43 HE ARG 43 51.862 36.342 -24.461
336 1HH1 ARG 43 2HH1 ARG 43 50.414 39.035 -26.124
337 2HH1 ARG 43 1HH1 ARG 43 51.884 39.507 -26.912
338 1HH2 ARG 43 2HH2 ARG 43 53.802 36.953 -25.491
339 2HH2 ARG 43 1HH2 ARG 43 53.811 38.321 -26.552
340 H GLN 44 H GLN 44 48.925 41.008 -22.405
341 HA GLN 44 HA GLN 44 51.069 42.357 -23.551
342 1HB GLN 44 2HB GLN 44 48.465 42.610 -23.846
343 2HB GLN 44 3HB GLN 44 48.661 43.883 -22.649
344 1HG GLN 44 2HG GLN 44 50.395 43.832 -25.078
345 2HG GLN 44 3HG GLN 44 48.750 44.458 -25.171
346 1HE2 GLN 44 1HE2 GLN 44 51.864 45.327 -24.768
347 2HE2 GLN 44 2HE2 GLN 44 51.657 46.803 -23.895
348 H ARG 45 H ARG 45 49.877 42.410 -20.303
349 HA ARG 45 HA ARG 45 50.739 44.856 -19.362
350 1HB ARG 45 2HB ARG 45 49.473 43.119 -18.071
351 2HB ARG 45 3HB ARG 45 50.984 42.245 -17.865
352 1HG ARG 45 2HG ARG 45 51.857 44.448 -16.847
353 2HG ARG 45 3HG ARG 45 50.149 44.864 -16.695
354 1HD ARG 45 2HD ARG 45 49.765 43.289 -15.098
355 2HD ARG 45 3HD ARG 45 50.985 42.188 -15.738
356 HE ARG 45 HE ARG 45 52.546 43.166 -14.371
357 1HH1 ARG 45 2HH1 ARG 45 49.689 45.154 -14.477
358 2HH1 ARG 45 1HH1 ARG 45 50.213 46.203 -13.202
359 1HH2 ARG 45 2HH2 ARG 45 53.247 44.541 -12.691
360 2HH2 ARG 45 1HH2 ARG 45 52.238 45.854 -12.187
361 H VAL 46 H VAL 46 52.612 42.043 -20.216
362 HA VAL 46 HA VAL 46 54.992 42.483 -18.895
363 HB VAL 46 HB VAL 46 56.115 41.313 -20.730
364 1HG1 VAL 46 1HG1 VAL 46 54.255 39.392 -20.875
365 2HG1 VAL 46 2HG1 VAL 46 55.223 39.688 -19.429
366 3HG1 VAL 46 3HG1 VAL 46 53.588 40.340 -19.545
367 1HG2 VAL 46 1HG2 VAL 46 53.848 42.322 -22.233
368 2HG2 VAL 46 2HG2 VAL 46 55.409 41.734 -22.804
369 3HG2 VAL 46 3HG2 VAL 46 54.101 40.595 -22.486
370 H THR 47 H THR 47 53.643 44.193 -21.618
371 HA THR 47 HA THR 47 54.370 45.965 -22.862
372 HB THR 47 HB THR 47 55.945 46.816 -20.442
373 HG1 THR 47 1HG THR 47 53.122 46.952 -20.831
374 1HG2 THR 47 1HG2 THR 47 56.224 48.462 -22.015
375 2HG2 THR 47 2HG2 THR 47 54.731 49.020 -21.259
376 3HG2 THR 47 3HG2 THR 47 54.671 48.139 -22.786
377 H LEU 48 H LEU 48 56.017 43.580 -22.989
378 HA LEU 48 HA LEU 48 58.751 44.063 -22.842
379 1HB LEU 48 2HB LEU 48 57.061 42.249 -24.510
380 2HB LEU 48 3HB LEU 48 58.795 42.356 -24.810
381 HG LEU 48 HG LEU 48 57.629 41.640 -22.126
382 1HD1 LEU 48 1HD1 LEU 48 58.624 39.758 -24.258
383 2HD1 LEU 48 2HD1 LEU 48 56.928 40.017 -23.853
384 3HD1 LEU 48 3HD1 LEU 48 58.024 39.326 -22.656
385 1HD2 LEU 48 1HD2 LEU 48 59.969 42.518 -22.259
386 2HD2 LEU 48 2HD2 LEU 48 60.369 41.129 -23.272
387 3HD2 LEU 48 3HD2 LEU 48 59.831 40.884 -21.609
388 H LYS 49 H LYS 49 59.796 45.718 -23.727
389 HA LYS 49 HA LYS 49 58.942 46.753 -26.325
390 1HB LYS 49 2HB LYS 49 60.691 47.816 -24.126
391 2HB LYS 49 3HB LYS 49 60.750 48.521 -25.736
392 1HG LYS 49 2HG LYS 49 58.183 48.721 -25.479
393 2HG LYS 49 3HG LYS 49 58.512 48.518 -23.756
394 1HD LYS 49 2HD LYS 49 60.194 50.405 -24.007
395 2HD LYS 49 3HD LYS 49 59.481 50.695 -25.595
396 1HE LYS 49 2HE LYS 49 58.445 52.171 -24.017
397 2HE LYS 49 3HE LYS 49 57.269 50.946 -24.488
398 1HZ LYS 49 1HZ LYS 49 58.098 51.603 -21.922
399 2HZ LYS 49 2HZ LYS 49 58.708 50.057 -22.234
400 3HZ LYS 49 3HZ LYS 49 57.049 50.356 -22.380
401 H LYS 50 H LYS 50 60.397 44.193 -25.974
402 HA LYS 50 HA LYS 50 62.925 44.810 -27.334
403 1HB LYS 50 2HB LYS 50 62.662 43.246 -25.231
404 2HB LYS 50 3HB LYS 50 62.189 42.055 -26.435
405 1HG LYS 50 2HG LYS 50 64.457 41.686 -26.200
406 2HG LYS 50 3HG LYS 50 64.375 42.719 -27.628
407 1HD LYS 50 2HD LYS 50 64.702 44.669 -25.988
408 2HD LYS 50 3HD LYS 50 65.205 43.435 -24.832
409 1HE LYS 50 2HE LYS 50 66.869 42.658 -26.553
410 2HE LYS 50 3HE LYS 50 66.459 44.093 -27.491
411 1HZ LYS 50 1HZ LYS 50 67.101 45.431 -25.523
412 2HZ LYS 50 2HZ LYS 50 68.386 44.564 -26.199
413 3HZ LYS 50 3HZ LYS 50 67.654 44.017 -24.775
414 H ARG 51 H ARG 51 60.218 44.854 -28.567
415 HA ARG 51 HA ARG 51 60.130 42.557 -30.308
416 1HB ARG 51 2HB ARG 51 58.083 43.754 -29.529
417 2HB ARG 51 3HB ARG 51 58.574 45.141 -30.493
418 1HG ARG 51 2HG ARG 51 58.354 43.875 -32.523
419 2HG ARG 51 3HG ARG 51 58.028 42.400 -31.611
420 1HD ARG 51 2HD ARG 51 55.973 43.365 -30.746
421 2HD ARG 51 3HD ARG 51 56.311 44.880 -31.584
422 HE ARG 51 HE ARG 51 56.299 43.089 -33.593
423 1HH1 ARG 51 2HH1 ARG 51 54.069 43.739 -31.001
424 2HH1 ARG 51 1HH1 ARG 51 52.674 43.245 -31.903
425 1HH2 ARG 51 2HH2 ARG 51 54.471 42.437 -34.791
426 2HH2 ARG 51 1HH2 ARG 51 52.904 42.505 -34.059
427 H PHE 52 H PHE 52 60.236 42.704 -32.641
428 HA PHE 52 HA PHE 52 62.575 43.807 -33.607
429 1HB PHE 52 2HB PHE 52 60.101 43.251 -35.256
430 2HB PHE 52 3HB PHE 52 61.766 43.287 -35.829
431 HD1 PHE 52 1HD PHE 52 63.381 41.611 -34.583
432 HD2 PHE 52 2HD PHE 52 59.148 41.218 -34.794
433 HE1 PHE 52 1HE PHE 52 63.586 39.201 -34.137
434 HE2 PHE 52 2HE PHE 52 59.346 38.806 -34.346
435 HZ PHE 52 HZ PHE 52 61.568 37.795 -34.017
436 H GLY 53 H GLY 53 59.338 44.961 -34.575
437 1HA GLY 53 2HA GLY 53 58.625 47.040 -35.245
438 2HA GLY 53 3HA GLY 53 59.635 47.634 -33.935
439 H LEU 54 H LEU 54 60.999 45.883 -36.620
440 HA LEU 54 HA LEU 54 62.821 47.975 -37.213
441 1HB LEU 54 2HB LEU 54 62.188 45.301 -38.326
442 2HB LEU 54 3HB LEU 54 63.058 46.425 -39.369
443 HG LEU 54 HG LEU 54 64.717 46.640 -37.422
444 1HD1 LEU 54 1HD1 LEU 54 62.962 45.300 -35.969
445 2HD1 LEU 54 2HD1 LEU 54 64.699 45.151 -35.699
446 3HD1 LEU 54 3HD1 LEU 54 63.842 43.918 -36.624
447 1HD2 LEU 54 1HD2 LEU 54 65.414 45.571 -39.405
448 2HD2 LEU 54 2HD2 LEU 54 64.395 44.165 -39.099
449 3HD2 LEU 54 3HD2 LEU 54 65.816 44.460 -38.096
450 H VAL 55 H VAL 55 63.009 49.222 -39.121
451 HA VAL 55 HA VAL 55 60.626 49.401 -40.817
452 HB VAL 55 HB VAL 55 60.961 51.973 -40.682
453 1HG1 VAL 55 1HG1 VAL 55 59.759 51.106 -38.151
454 2HG1 VAL 55 2HG1 VAL 55 59.055 52.008 -39.495
455 3HG1 VAL 55 3HG1 VAL 55 59.175 50.251 -39.577
456 1HG2 VAL 55 1HG2 VAL 55 61.868 51.359 -37.897
457 2HG2 VAL 55 2HG2 VAL 55 63.043 51.565 -39.196
458 3HG2 VAL 55 3HG2 VAL 55 61.944 52.881 -38.785
459 HA PRO 56 HA PRO 56 63.457 49.931 -44.129
460 1HB PRO 56 2HB PRO 56 62.080 51.595 -45.775
461 2HB PRO 56 3HB PRO 56 61.645 49.898 -45.541
462 1HG PRO 56 2HG PRO 56 60.460 52.347 -44.292
463 2HG PRO 56 3HG PRO 56 59.641 50.916 -44.945
464 1HD PRO 56 2HD PRO 56 60.049 51.277 -42.293
465 2HD PRO 56 3HD PRO 56 60.033 49.669 -43.046
466 H GLY 57 H GLY 57 65.208 51.153 -44.545
467 1HA GLY 57 2HA GLY 57 65.239 53.885 -43.454
468 2HA GLY 57 3HA GLY 57 66.655 52.885 -43.739
469 H GLN 58 H GLN 58 67.871 53.701 -45.299
470 HA GLN 58 HA GLN 58 66.713 55.382 -47.351
471 1HB GLN 58 2HB GLN 58 68.960 55.910 -47.973
472 2HB GLN 58 3HB GLN 58 68.887 55.906 -46.215
473 1HG GLN 58 2HG GLN 58 69.846 53.640 -46.204
474 2HG GLN 58 3HG GLN 58 69.977 53.711 -47.961
475 1HE2 GLN 58 1HE2 GLN 58 72.241 53.203 -46.839
476 2HE2 GLN 58 2HE2 GLN 58 73.277 54.583 -46.738
Start of MODEL 13
1 1H HIS 2 H HIS 2 15.338 20.674 24.346
2 HA HIS 2 HA HIS 2 15.309 20.294 27.253
3 1HB HIS 2 2HB HIS 2 13.179 21.524 25.579
4 2HB HIS 2 3HB HIS 2 12.671 20.436 26.866
5 HD1 HIS 2 1HD HIS 2 15.600 22.781 27.184
6 HD2 HIS 2 2HD HIS 2 11.695 22.395 28.547
7 HE1 HIS 2 1HE HIS 2 15.334 24.535 28.967
8 H LEU 3 H LEU 3 13.888 19.327 24.145
9 HA LEU 3 HA LEU 3 14.203 16.537 24.883
10 1HB LEU 3 2HB LEU 3 11.591 17.909 24.629
11 2HB LEU 3 3HB LEU 3 11.730 16.313 23.894
12 HG LEU 3 HG LEU 3 12.244 16.945 26.800
13 1HD1 LEU 3 1HD1 LEU 3 9.823 16.967 25.688
14 2HD1 LEU 3 2HD1 LEU 3 10.124 16.325 27.302
15 3HD1 LEU 3 3HD1 LEU 3 9.999 15.228 25.927
16 1HD2 LEU 3 1HD2 LEU 3 13.398 15.032 26.702
17 2HD2 LEU 3 2HD2 LEU 3 12.754 14.613 25.114
18 3HD2 LEU 3 3HD2 LEU 3 11.822 14.253 26.568
19 H MET 4 H MET 4 14.794 15.341 23.179
20 HA MET 4 HA MET 4 14.346 16.460 20.489
21 1HB MET 4 2HB MET 4 16.774 16.324 21.603
22 2HB MET 4 3HB MET 4 16.688 14.690 20.963
23 1HG MET 4 2HG MET 4 16.292 15.561 18.733
24 2HG MET 4 3HG MET 4 16.311 17.208 19.359
25 1HE MET 4 1HE MET 4 17.870 18.542 19.622
26 2HE MET 4 2HE MET 4 19.524 18.230 20.149
27 3HE MET 4 3HE MET 4 19.164 18.405 18.431
28 H TYR 5 H TYR 5 12.810 14.475 22.086
29 HA TYR 5 HA TYR 5 12.514 12.515 19.993
30 1HB TYR 5 2HB TYR 5 12.741 10.576 21.570
31 2HB TYR 5 3HB TYR 5 14.254 11.402 21.216
32 HD1 TYR 5 1HD TYR 5 15.505 12.472 22.937
33 HD2 TYR 5 2HD TYR 5 11.633 10.917 23.771
34 HE1 TYR 5 1HE TYR 5 15.911 12.769 25.344
35 HE2 TYR 5 2HE TYR 5 12.028 11.211 26.181
36 HH TYR 5 HH TYR 5 13.395 12.046 27.734
37 H THR 6 H THR 6 10.460 11.795 19.859
38 HA THR 6 HA THR 6 8.548 12.870 21.777
39 HB THR 6 HB THR 6 6.830 12.094 20.146
40 HG1 THR 6 1HG THR 6 7.937 11.599 17.987
41 1HG2 THR 6 1HG2 THR 6 7.183 13.839 18.596
42 2HG2 THR 6 2HG2 THR 6 8.937 13.720 18.742
43 3HG2 THR 6 3HG2 THR 6 7.982 14.365 20.076
44 H LEU 7 H LEU 7 6.728 11.505 22.496
45 HA LEU 7 HA LEU 7 7.695 8.826 23.207
46 1HB LEU 7 2HB LEU 7 5.494 10.465 24.457
47 2HB LEU 7 3HB LEU 7 6.087 8.908 25.035
48 HG LEU 7 HG LEU 7 7.496 11.567 25.100
49 1HD1 LEU 7 1HD1 LEU 7 5.830 10.293 26.909
50 2HD1 LEU 7 2HD1 LEU 7 6.942 11.618 27.251
51 3HD1 LEU 7 3HD1 LEU 7 7.456 9.950 27.499
52 1HD2 LEU 7 1HD2 LEU 7 9.389 10.425 24.748
53 2HD2 LEU 7 2HD2 LEU 7 8.606 8.864 24.993
54 3HD2 LEU 7 3HD2 LEU 7 9.147 9.808 26.382
55 H GLY 8 H GLY 8 6.146 7.058 23.270
56 1HA GLY 8 2HA GLY 8 4.262 7.258 21.026
57 2HA GLY 8 3HA GLY 8 4.931 5.769 21.676
58 HA PRO 9 HA PRO 9 0.581 6.521 23.295
59 1HB PRO 9 2HB PRO 9 -0.518 4.265 22.258
60 2HB PRO 9 3HB PRO 9 -0.464 5.799 21.380
61 1HG PRO 9 2HG PRO 9 1.332 3.415 21.143
62 2HG PRO 9 3HG PRO 9 0.635 4.422 19.861
63 1HD PRO 9 2HD PRO 9 3.191 4.705 20.708
64 2HD PRO 9 3HD PRO 9 2.223 6.073 20.121
65 H ASP 10 H ASP 10 3.067 4.232 23.505
66 HA ASP 10 HA ASP 10 1.718 2.766 25.667
67 1HB ASP 10 2HB ASP 10 3.016 1.693 23.598
68 2HB ASP 10 3HB ASP 10 4.398 1.932 24.665
69 H GLY 11 H GLY 11 4.109 5.124 25.035
70 1HA GLY 11 2HA GLY 11 4.830 6.474 26.932
71 2HA GLY 11 3HA GLY 11 4.958 4.987 27.858
72 H LYS 12 H LYS 12 6.069 4.354 24.809
73 HA LYS 12 HA LYS 12 8.827 4.431 25.721
74 1HB LYS 12 2HB LYS 12 7.425 2.619 24.232
75 2HB LYS 12 3HB LYS 12 8.278 3.510 22.978
76 1HG LYS 12 2HG LYS 12 10.388 2.946 23.881
77 2HG LYS 12 3HG LYS 12 9.665 2.342 25.373
78 1HD LYS 12 2HD LYS 12 10.303 0.464 24.020
79 2HD LYS 12 3HD LYS 12 8.542 0.567 24.035
80 1HE LYS 12 2HE LYS 12 9.146 0.134 21.796
81 2HE LYS 12 3HE LYS 12 8.732 1.847 21.860
82 1HZ LYS 12 1HZ LYS 12 11.087 0.720 20.944
83 2HZ LYS 12 2HZ LYS 12 11.485 1.489 22.396
84 3HZ LYS 12 3HZ LYS 12 10.749 2.365 21.149
85 H ARG 13 H ARG 13 10.330 5.841 25.064
86 HA ARG 13 HA ARG 13 9.529 8.066 23.418
87 1HB ARG 13 2HB ARG 13 11.771 8.953 23.923
88 2HB ARG 13 3HB ARG 13 10.914 8.464 25.378
89 1HG ARG 13 2HG ARG 13 12.186 6.305 25.287
90 2HG ARG 13 3HG ARG 13 13.154 7.016 23.994
91 1HD ARG 13 2HD ARG 13 14.217 8.462 25.397
92 2HD ARG 13 3HD ARG 13 12.837 8.590 26.486
93 HE ARG 13 HE ARG 13 13.660 6.820 27.693
94 1HH1 ARG 13 2HH1 ARG 13 15.347 7.040 24.656
95 2HH1 ARG 13 1HH1 ARG 13 16.545 5.865 25.087
96 1HH2 ARG 13 2HH2 ARG 13 15.231 5.271 28.272
97 2HH2 ARG 13 1HH2 ARG 13 16.478 4.858 27.144
98 H ILE 14 H ILE 14 10.880 8.835 21.611
99 HA ILE 14 HA ILE 14 12.440 6.829 20.207
100 HB ILE 14 HB ILE 14 9.906 7.971 19.025
101 1HG1 ILE 14 2HG1 ILE 14 10.771 5.126 19.590
102 2HG1 ILE 14 3HG1 ILE 14 9.556 6.032 20.484
103 1HG2 ILE 14 1HG2 ILE 14 10.518 6.712 16.995
104 2HG2 ILE 14 2HG2 ILE 14 11.655 8.009 17.359
105 3HG2 ILE 14 3HG2 ILE 14 12.080 6.337 17.724
106 1HD1 ILE 14 1HD1 ILE 14 8.373 6.230 18.195
107 2HD1 ILE 14 2HD1 ILE 14 9.409 4.878 17.738
108 3HD1 ILE 14 3HD1 ILE 14 8.286 4.713 19.089
109 H TYR 15 H TYR 15 14.160 7.808 19.387
110 HA TYR 15 HA TYR 15 14.582 10.564 19.453
111 1HB TYR 15 2HB TYR 15 15.980 8.477 17.767
112 2HB TYR 15 3HB TYR 15 16.577 10.107 18.061
113 HD1 TYR 15 1HD TYR 15 17.445 7.025 18.825
114 HD2 TYR 15 2HD TYR 15 16.107 10.484 20.909
115 HE1 TYR 15 1HE TYR 15 18.583 6.234 20.856
116 HE2 TYR 15 2HE TYR 15 17.243 9.703 22.945
117 HH TYR 15 HH TYR 15 18.612 6.522 23.181
118 H THR 16 H THR 16 15.537 11.541 17.188
119 HA THR 16 HA THR 16 15.022 12.492 15.182
120 HB THR 16 HB THR 16 12.967 10.345 14.703
121 HG1 THR 16 1HG THR 16 15.727 10.080 14.092
122 1HG2 THR 16 1HG2 THR 16 14.390 10.761 12.397
123 2HG2 THR 16 2HG2 THR 16 14.363 12.371 13.116
124 3HG2 THR 16 3HG2 THR 16 12.851 11.522 12.794
125 H LEU 17 H LEU 17 13.794 13.532 17.401
126 HA LEU 17 HA LEU 17 11.048 13.742 17.455
127 1HB LEU 17 2HB LEU 17 12.180 14.744 19.220
128 2HB LEU 17 3HB LEU 17 13.243 15.652 18.147
129 HG LEU 17 HG LEU 17 11.441 17.173 17.594
130 1HD1 LEU 17 1HD1 LEU 17 9.602 15.541 17.734
131 2HD1 LEU 17 2HD1 LEU 17 9.262 17.022 18.626
132 3HD1 LEU 17 3HD1 LEU 17 9.740 15.562 19.491
133 1HD2 LEU 17 1HD2 LEU 17 12.769 17.736 19.525
134 2HD2 LEU 17 2HD2 LEU 17 11.764 16.721 20.558
135 3HD2 LEU 17 3HD2 LEU 17 11.088 18.178 19.827
136 H LYS 18 H LYS 18 13.270 15.973 15.775
137 HA LYS 18 HA LYS 18 11.362 17.526 14.500
138 1HB LYS 18 2HB LYS 18 13.991 17.682 14.604
139 2HB LYS 18 3HB LYS 18 13.894 16.836 13.065
140 1HG LYS 18 2HG LYS 18 12.251 18.692 12.387
141 2HG LYS 18 3HG LYS 18 12.899 19.566 13.776
142 1HD LYS 18 2HD LYS 18 14.761 18.362 11.771
143 2HD LYS 18 3HD LYS 18 13.963 19.896 11.418
144 1HE LYS 18 2HE LYS 18 15.608 19.337 13.883
145 2HE LYS 18 3HE LYS 18 16.206 20.159 12.443
146 1HZ LYS 18 1HZ LYS 18 14.002 21.575 12.999
147 2HZ LYS 18 2HZ LYS 18 15.553 21.987 13.530
148 3HZ LYS 18 3HZ LYS 18 14.503 21.150 14.558
149 H LYS 19 H LYS 19 9.696 16.705 13.393
150 HA LYS 19 HA LYS 19 9.560 14.293 12.054
151 1HB LYS 19 2HB LYS 19 7.701 16.005 12.638
152 2HB LYS 19 3HB LYS 19 8.066 16.704 11.065
153 1HG LYS 19 2HG LYS 19 6.264 15.253 10.703
154 2HG LYS 19 3HG LYS 19 7.683 14.390 10.106
155 1HD LYS 19 2HD LYS 19 7.799 13.215 12.307
156 2HD LYS 19 3HD LYS 19 6.269 13.981 12.740
157 1HE LYS 19 2HE LYS 19 6.561 12.364 10.229
158 2HE LYS 19 3HE LYS 19 6.209 11.599 11.778
159 1HZ LYS 19 1HZ LYS 19 4.136 11.975 10.823
160 2HZ LYS 19 2HZ LYS 19 4.552 13.514 10.257
161 3HZ LYS 19 3HZ LYS 19 4.304 13.261 11.910
162 H VAL 20 H VAL 20 10.122 17.501 10.600
163 HA VAL 20 HA VAL 20 11.594 16.159 8.433
164 HB VAL 20 HB VAL 20 9.347 16.829 7.629
165 1HG1 VAL 20 1HG1 VAL 20 9.529 18.966 9.209
166 2HG1 VAL 20 2HG1 VAL 20 10.089 19.697 7.704
167 3HG1 VAL 20 3HG1 VAL 20 8.501 18.933 7.777
168 1HG2 VAL 20 1HG2 VAL 20 10.097 17.594 5.581
169 2HG2 VAL 20 2HG2 VAL 20 11.320 18.641 6.300
170 3HG2 VAL 20 3HG2 VAL 20 11.564 16.895 6.268
171 H THR 21 H THR 21 13.417 17.180 7.710
172 HA THR 21 HA THR 21 14.603 19.110 9.452
173 HB THR 21 HB THR 21 15.642 18.231 6.755
174 HG1 THR 21 1HG THR 21 16.760 16.619 7.992
175 1HG2 THR 21 1HG2 THR 21 16.679 20.217 7.958
176 2HG2 THR 21 2HG2 THR 21 17.772 18.899 7.534
177 3HG2 THR 21 3HG2 THR 21 17.196 19.069 9.192
178 H GLU 22 H GLU 22 13.737 19.197 5.990
179 HA GLU 22 HA GLU 22 14.145 22.044 5.855
180 1HB GLU 22 2HB GLU 22 12.882 20.184 3.832
181 2HB GLU 22 3HB GLU 22 13.414 21.833 3.533
182 1HG GLU 22 2HG GLU 22 15.716 21.191 3.958
183 2HG GLU 22 3HG GLU 22 15.202 19.543 4.318
184 H SER 23 H SER 23 12.736 23.387 6.759
185 HA SER 23 HA SER 23 10.119 22.778 7.504
186 1HB SER 23 2HB SER 23 11.432 25.449 6.969
187 2HB SER 23 3HB SER 23 9.828 25.275 7.682
188 HG SER 23 HG SER 23 10.894 23.964 9.324
189 H GLY 24 H GLY 24 11.391 24.172 4.532
190 1HA GLY 24 2HA GLY 24 9.048 23.404 3.076
191 2HA GLY 24 3HA GLY 24 9.123 25.142 3.324
192 H GLU 25 H GLU 25 9.195 23.807 0.804
193 HA GLU 25 HA GLU 25 11.901 23.736 -0.140
194 1HB GLU 25 2HB GLU 25 10.203 22.338 -1.183
195 2HB GLU 25 3HB GLU 25 9.274 23.760 -1.635
196 1HG GLU 25 2HG GLU 25 10.664 24.301 -3.354
197 2HG GLU 25 3HG GLU 25 12.076 23.573 -2.589
198 H ILE 26 H ILE 26 13.088 25.325 -1.002
199 HA ILE 26 HA ILE 26 11.876 27.987 -1.174
200 HB ILE 26 HB ILE 26 13.872 27.791 0.230
201 1HG1 ILE 26 2HG1 ILE 26 14.561 29.330 -2.275
202 2HG1 ILE 26 3HG1 ILE 26 13.347 29.870 -1.121
203 1HG2 ILE 26 1HG2 ILE 26 14.778 26.045 -1.682
204 2HG2 ILE 26 2HG2 ILE 26 15.773 27.475 -1.957
205 3HG2 ILE 26 3HG2 ILE 26 15.740 26.717 -0.364
206 1HD1 ILE 26 1HD1 ILE 26 15.213 29.695 0.622
207 2HD1 ILE 26 2HD1 ILE 26 16.305 29.633 -0.762
208 3HD1 ILE 26 3HD1 ILE 26 15.262 31.035 -0.524
209 H THR 27 H THR 27 13.343 25.506 -3.101
210 HA THR 27 HA THR 27 13.869 27.159 -5.385
211 HB THR 27 HB THR 27 13.981 24.840 -6.550
212 HG1 THR 27 1HG THR 27 13.208 23.348 -5.238
213 1HG2 THR 27 1HG2 THR 27 16.232 24.496 -5.754
214 2HG2 THR 27 2HG2 THR 27 15.896 25.417 -4.288
215 3HG2 THR 27 3HG2 THR 27 15.924 26.230 -5.852
216 H LYS 28 H LYS 28 12.382 27.947 -6.707
217 HA LYS 28 HA LYS 28 9.709 26.795 -6.753
218 1HB LYS 28 2HB LYS 28 9.091 28.789 -8.028
219 2HB LYS 28 3HB LYS 28 9.941 29.225 -6.551
220 1HG LYS 28 2HG LYS 28 11.992 29.573 -7.832
221 2HG LYS 28 3HG LYS 28 11.140 29.134 -9.314
222 1HD LYS 28 2HD LYS 28 11.164 31.494 -9.263
223 2HD LYS 28 3HD LYS 28 9.533 31.025 -8.780
224 1HE LYS 28 2HE LYS 28 10.246 32.757 -7.308
225 2HE LYS 28 3HE LYS 28 10.270 31.247 -6.398
226 1HZ LYS 28 1HZ LYS 28 12.327 33.030 -6.630
227 2HZ LYS 28 2HZ LYS 28 12.771 31.772 -7.671
228 3HZ LYS 28 3HZ LYS 28 12.440 31.447 -6.044
229 H SER 29 H SER 29 8.600 26.449 -8.819
230 HA SER 29 HA SER 29 10.375 25.789 -11.056
231 1HB SER 29 2HB SER 29 10.128 23.687 -9.892
232 2HB SER 29 3HB SER 29 8.380 23.896 -9.794
233 HG SER 29 HG SER 29 9.125 22.488 -11.514
234 H ALA 30 H ALA 30 9.630 26.721 -12.831
235 HA ALA 30 HA ALA 30 6.728 26.880 -13.253
236 1HB ALA 30 1HB ALA 30 8.672 29.131 -13.194
237 2HB ALA 30 2HB ALA 30 7.340 29.196 -14.348
238 3HB ALA 30 3HB ALA 30 7.005 29.061 -12.623
239 H HIS 31 H HIS 31 6.055 26.651 -15.355
240 HA HIS 31 HA HIS 31 7.802 26.837 -17.595
241 1HB HIS 31 2HB HIS 31 8.343 24.580 -16.355
242 2HB HIS 31 3HB HIS 31 6.871 24.027 -17.149
243 HD1 HIS 31 1HD HIS 31 10.345 25.253 -17.922
244 HD2 HIS 31 2HD HIS 31 7.111 23.494 -19.849
245 HE1 HIS 31 1HE HIS 31 11.194 24.595 -20.195
246 HA PRO 32 HA PRO 32 3.201 27.099 -18.318
247 1HB PRO 32 2HB PRO 32 3.266 29.568 -19.445
248 2HB PRO 32 3HB PRO 32 3.121 29.312 -17.702
249 1HG PRO 32 2HG PRO 32 5.547 29.985 -19.322
250 2HG PRO 32 3HG PRO 32 5.027 30.643 -17.759
251 1HD PRO 32 2HD PRO 32 6.941 28.740 -17.975
252 2HD PRO 32 3HD PRO 32 5.840 28.833 -16.586
253 H ALA 33 H ALA 33 3.626 25.423 -19.883
254 HA ALA 33 HA ALA 33 4.744 26.087 -22.445
255 1HB ALA 33 1HB ALA 33 3.217 23.629 -21.591
256 2HB ALA 33 2HB ALA 33 4.167 23.806 -23.067
257 3HB ALA 33 3HB ALA 33 4.965 23.838 -21.495
258 H ARG 34 H ARG 34 3.668 26.253 -24.417
259 HA ARG 34 HA ARG 34 0.906 25.947 -24.799
260 1HB ARG 34 2HB ARG 34 0.555 27.822 -23.367
261 2HB ARG 34 3HB ARG 34 1.833 28.742 -24.149
262 1HG ARG 34 2HG ARG 34 0.498 28.875 -26.188
263 2HG ARG 34 3HG ARG 34 -0.783 27.946 -25.408
264 1HD ARG 34 2HD ARG 34 0.223 30.451 -24.129
265 2HD ARG 34 3HD ARG 34 -0.906 30.552 -25.480
266 HE ARG 34 HE ARG 34 -2.058 28.773 -23.762
267 1HH1 ARG 34 2HH1 ARG 34 -0.905 32.049 -23.506
268 2HH1 ARG 34 1HH1 ARG 34 -2.049 32.494 -22.284
269 1HH2 ARG 34 2HH2 ARG 34 -3.570 29.349 -22.154
270 2HH2 ARG 34 1HH2 ARG 34 -3.564 30.957 -21.516
271 H PHE 35 H PHE 35 1.011 25.320 -26.849
272 HA PHE 35 HA PHE 35 2.655 26.899 -28.716
273 1HB PHE 35 2HB PHE 35 2.526 24.724 -30.117
274 2HB PHE 35 3HB PHE 35 3.612 24.768 -28.731
275 HD1 PHE 35 1HD PHE 35 3.657 22.853 -27.486
276 HD2 PHE 35 2HD PHE 35 0.005 24.010 -29.342
277 HE1 PHE 35 1HE PHE 35 2.558 20.855 -26.561
278 HE2 PHE 35 2HE PHE 35 -1.100 22.014 -28.420
279 HZ PHE 35 HZ PHE 35 0.177 20.434 -27.027
280 H SER 36 H SER 36 1.841 26.694 -31.043
281 HA SER 36 HA SER 36 -0.979 26.304 -31.411
282 1HB SER 36 2HB SER 36 0.162 29.057 -31.131
283 2HB SER 36 3HB SER 36 -1.150 28.788 -32.278
284 HG SER 36 HG SER 36 -1.187 28.809 -29.527
285 HA PRO 37 HA PRO 37 1.764 25.779 -35.131
286 1HB PRO 37 2HB PRO 37 0.882 23.282 -35.725
287 2HB PRO 37 3HB PRO 37 2.210 23.589 -34.601
288 1HG PRO 37 2HG PRO 37 -0.668 23.006 -34.019
289 2HG PRO 37 3HG PRO 37 0.785 22.374 -33.223
290 1HD PRO 37 2HD PRO 37 -0.698 24.379 -32.169
291 2HD PRO 37 3HD PRO 37 1.059 24.268 -31.938
292 H ASP 38 H ASP 38 -1.573 24.571 -34.755
293 HA ASP 38 HA ASP 38 -2.221 25.837 -37.338
294 1HB ASP 38 2HB ASP 38 -2.289 23.292 -37.256
295 2HB ASP 38 3HB ASP 38 -3.665 23.459 -36.168
296 H ASP 39 H ASP 39 -2.433 26.547 -34.303
297 HA ASP 39 HA ASP 39 -5.282 26.979 -34.014
298 1HB ASP 39 2HB ASP 39 -3.605 26.428 -32.126
299 2HB ASP 39 3HB ASP 39 -3.161 28.130 -32.216
300 H LYS 40 H LYS 40 -2.529 28.693 -35.165
301 HA LYS 40 HA LYS 40 -3.863 31.282 -34.990
302 1HB LYS 40 2HB LYS 40 -1.397 30.963 -34.493
303 2HB LYS 40 3HB LYS 40 -1.171 30.681 -36.214
304 1HG LYS 40 2HG LYS 40 -0.636 32.931 -35.902
305 2HG LYS 40 3HG LYS 40 -2.272 32.950 -36.565
306 1HD LYS 40 2HD LYS 40 -2.533 34.422 -34.833
307 2HD LYS 40 3HD LYS 40 -2.933 32.914 -34.009
308 1HE LYS 40 2HE LYS 40 -0.092 33.796 -34.058
309 2HE LYS 40 3HE LYS 40 -1.212 34.639 -32.988
310 1HZ LYS 40 1HZ LYS 40 -0.483 31.770 -32.968
311 2HZ LYS 40 2HZ LYS 40 -1.843 32.360 -32.152
312 3HZ LYS 40 3HZ LYS 40 -0.299 32.905 -31.726
313 H TYR 41 H TYR 41 -2.939 28.860 -37.347
314 HA TYR 41 HA TYR 41 -3.292 30.307 -39.700
315 1HB TYR 41 2HB TYR 41 -3.368 27.435 -38.952
316 2HB TYR 41 3HB TYR 41 -4.106 27.870 -40.491
317 HD1 TYR 41 1HD TYR 41 -0.994 28.794 -38.623
318 HD2 TYR 41 2HD TYR 41 -2.734 27.580 -42.311
319 HE1 TYR 41 1HE TYR 41 1.231 28.820 -39.674
320 HE2 TYR 41 2HE TYR 41 -0.515 27.602 -43.372
321 HH TYR 41 HH TYR 41 2.357 27.750 -41.624
322 H SER 42 H SER 42 -5.620 29.005 -37.478
323 HA SER 42 HA SER 42 -7.888 28.836 -39.072
324 1HB SER 42 2HB SER 42 -9.168 28.957 -37.057
325 2HB SER 42 3HB SER 42 -7.660 28.141 -36.646
326 HG SER 42 HG SER 42 -7.026 30.514 -36.168
327 H ARG 43 H ARG 43 -6.198 31.621 -37.891
328 HA ARG 43 HA ARG 43 -8.210 33.554 -38.031
329 1HB ARG 43 2HB ARG 43 -6.479 35.176 -38.044
330 2HB ARG 43 3HB ARG 43 -5.876 33.826 -37.092
331 1HG ARG 43 2HG ARG 43 -4.040 34.160 -38.358
332 2HG ARG 43 3HG ARG 43 -4.916 33.118 -39.481
333 1HD ARG 43 2HD ARG 43 -4.417 34.827 -40.898
334 2HD ARG 43 3HD ARG 43 -5.934 35.446 -40.246
335 HE ARG 43 HE ARG 43 -4.062 36.449 -38.560
336 1HH1 ARG 43 2HH1 ARG 43 -4.471 36.493 -42.017
337 2HH1 ARG 43 1HH1 ARG 43 -3.684 38.023 -42.222
338 1HH2 ARG 43 2HH2 ARG 43 -3.024 38.464 -38.816
339 2HH2 ARG 43 1HH2 ARG 43 -2.861 39.143 -40.401
340 H GLN 44 H GLN 44 -6.427 31.941 -40.530
341 HA GLN 44 HA GLN 44 -6.719 33.752 -42.634
342 1HB GLN 44 2HB GLN 44 -6.209 31.960 -44.089
343 2HB GLN 44 3HB GLN 44 -5.356 31.607 -42.591
344 1HG GLN 44 2HG GLN 44 -7.484 30.221 -42.028
345 2HG GLN 44 3HG GLN 44 -7.742 30.269 -43.771
346 1HE2 GLN 44 1HE2 GLN 44 -6.878 28.185 -41.675
347 2HE2 GLN 44 2HE2 GLN 44 -5.539 27.399 -42.432
348 H ARG 45 H ARG 45 -9.033 31.722 -41.076
349 HA ARG 45 HA ARG 45 -10.941 31.360 -43.057
350 1HB ARG 45 2HB ARG 45 -11.298 31.817 -40.092
351 2HB ARG 45 3HB ARG 45 -12.594 31.311 -41.167
352 1HG ARG 45 2HG ARG 45 -11.402 29.266 -41.688
353 2HG ARG 45 3HG ARG 45 -10.045 29.782 -40.684
354 1HD ARG 45 2HD ARG 45 -12.848 29.147 -39.778
355 2HD ARG 45 3HD ARG 45 -11.385 28.224 -39.440
356 HE ARG 45 HE ARG 45 -10.820 30.644 -38.394
357 1HH1 ARG 45 2HH1 ARG 45 -13.529 28.484 -38.051
358 2HH1 ARG 45 1HH1 ARG 45 -13.889 28.984 -36.431
359 1HH2 ARG 45 2HH2 ARG 45 -11.284 31.310 -36.262
360 2HH2 ARG 45 1HH2 ARG 45 -12.612 30.591 -35.415
361 H VAL 46 H VAL 46 -10.057 34.228 -41.322
362 HA VAL 46 HA VAL 46 -12.312 35.802 -41.515
363 HB VAL 46 HB VAL 46 -9.441 36.663 -41.898
364 1HG1 VAL 46 1HG1 VAL 46 -10.917 38.374 -42.736
365 2HG1 VAL 46 2HG1 VAL 46 -11.910 38.281 -41.280
366 3HG1 VAL 46 3HG1 VAL 46 -10.257 38.889 -41.185
367 1HG2 VAL 46 1HG2 VAL 46 -9.277 36.917 -39.609
368 2HG2 VAL 46 2HG2 VAL 46 -11.023 37.002 -39.385
369 3HG2 VAL 46 3HG2 VAL 46 -10.254 35.454 -39.739
370 H THR 47 H THR 47 -9.904 35.088 -43.995
371 HA THR 47 HA THR 47 -10.597 36.904 -45.948
372 HB THR 47 HB THR 47 -8.703 35.271 -46.082
373 HG1 THR 47 1HG THR 47 -8.800 35.212 -48.321
374 1HG2 THR 47 1HG2 THR 47 -8.988 33.050 -46.414
375 2HG2 THR 47 2HG2 THR 47 -10.416 33.279 -47.425
376 3HG2 THR 47 3HG2 THR 47 -10.557 33.350 -45.669
377 H LEU 48 H LEU 48 -12.102 37.004 -47.582
378 HA LEU 48 HA LEU 48 -14.651 35.929 -47.091
379 1HB LEU 48 2HB LEU 48 -15.312 36.919 -49.163
380 2HB LEU 48 3HB LEU 48 -14.194 38.012 -48.348
381 HG LEU 48 HG LEU 48 -13.091 36.155 -50.393
382 1HD1 LEU 48 1HD1 LEU 48 -14.574 36.838 -51.923
383 2HD1 LEU 48 2HD1 LEU 48 -13.679 38.357 -51.883
384 3HD1 LEU 48 3HD1 LEU 48 -15.145 38.171 -50.921
385 1HD2 LEU 48 1HD2 LEU 48 -11.934 38.491 -50.847
386 2HD2 LEU 48 2HD2 LEU 48 -11.403 37.430 -49.541
387 3HD2 LEU 48 3HD2 LEU 48 -12.461 38.797 -49.191
388 H LYS 49 H LYS 49 -11.933 34.711 -48.843
389 HA LYS 49 HA LYS 49 -13.199 32.928 -50.592
390 1HB LYS 49 2HB LYS 49 -10.672 33.623 -50.305
391 2HB LYS 49 3HB LYS 49 -10.611 32.192 -49.283
392 1HG LYS 49 2HG LYS 49 -11.754 32.026 -52.039
393 2HG LYS 49 3HG LYS 49 -10.008 31.996 -51.788
394 1HD LYS 49 2HD LYS 49 -10.724 30.178 -49.966
395 2HD LYS 49 3HD LYS 49 -12.068 29.983 -51.093
396 1HE LYS 49 2HE LYS 49 -10.427 29.677 -52.923
397 2HE LYS 49 3HE LYS 49 -9.128 29.766 -51.734
398 1HZ LYS 49 1HZ LYS 49 -10.743 27.873 -50.698
399 2HZ LYS 49 2HZ LYS 49 -9.371 27.563 -51.636
400 3HZ LYS 49 3HZ LYS 49 -10.901 27.583 -52.357
401 H LYS 50 H LYS 50 -12.438 32.688 -47.182
402 HA LYS 50 HA LYS 50 -12.710 29.958 -46.770
403 1HB LYS 50 2HB LYS 50 -11.966 31.548 -45.041
404 2HB LYS 50 3HB LYS 50 -13.597 32.195 -44.938
405 1HG LYS 50 2HG LYS 50 -13.284 30.714 -43.107
406 2HG LYS 50 3HG LYS 50 -14.375 29.927 -44.250
407 1HD LYS 50 2HD LYS 50 -12.253 28.819 -45.191
408 2HD LYS 50 3HD LYS 50 -11.488 29.332 -43.686
409 1HE LYS 50 2HE LYS 50 -12.729 27.894 -42.407
410 2HE LYS 50 3HE LYS 50 -14.090 27.900 -43.528
411 1HZ LYS 50 1HZ LYS 50 -13.040 26.385 -44.926
412 2HZ LYS 50 2HZ LYS 50 -12.694 25.797 -43.378
413 3HZ LYS 50 3HZ LYS 50 -11.513 26.645 -44.244
414 H ARG 51 H ARG 51 -15.138 32.375 -47.384
415 HA ARG 51 HA ARG 51 -17.345 30.704 -46.582
416 1HB ARG 51 2HB ARG 51 -17.289 33.260 -46.547
417 2HB ARG 51 3HB ARG 51 -17.512 33.180 -48.290
418 1HG ARG 51 2HG ARG 51 -19.670 32.473 -48.126
419 2HG ARG 51 3HG ARG 51 -19.404 31.668 -46.578
420 1HD ARG 51 2HD ARG 51 -19.169 33.942 -45.545
421 2HD ARG 51 3HD ARG 51 -19.684 34.624 -47.087
422 HE ARG 51 HE ARG 51 -21.593 32.751 -46.336
423 1HH1 ARG 51 2HH1 ARG 51 -20.321 35.776 -45.173
424 2HH1 ARG 51 1HH1 ARG 51 -21.800 36.253 -44.407
425 1HH2 ARG 51 2HH2 ARG 51 -23.546 33.368 -45.332
426 2HH2 ARG 51 1HH2 ARG 51 -23.633 34.882 -44.497
427 H PHE 52 H PHE 52 -18.590 29.422 -47.835
428 HA PHE 52 HA PHE 52 -17.623 28.823 -50.502
429 1HB PHE 52 2HB PHE 52 -19.820 27.539 -48.866
430 2HB PHE 52 3HB PHE 52 -19.216 26.938 -50.407
431 HD1 PHE 52 1HD PHE 52 -16.849 26.146 -50.561
432 HD2 PHE 52 2HD PHE 52 -18.725 27.042 -46.847
433 HE1 PHE 52 1HE PHE 52 -15.126 24.845 -49.381
434 HE2 PHE 52 2HE PHE 52 -17.004 25.744 -45.661
435 HZ PHE 52 HZ PHE 52 -15.201 24.645 -46.928
436 H GLY 53 H GLY 53 -20.301 30.436 -48.984
437 1HA GLY 53 2HA GLY 53 -21.992 30.424 -51.311
438 2HA GLY 53 3HA GLY 53 -22.238 31.361 -49.845
439 H LEU 54 H LEU 54 -20.332 31.231 -52.827
440 HA LEU 54 HA LEU 54 -19.844 34.115 -52.611
441 1HB LEU 54 2HB LEU 54 -18.064 32.262 -53.157
442 2HB LEU 54 3HB LEU 54 -18.711 32.422 -54.788
443 HG LEU 54 HG LEU 54 -18.224 34.982 -54.356
444 1HD1 LEU 54 1HD1 LEU 54 -16.770 33.574 -52.215
445 2HD1 LEU 54 2HD1 LEU 54 -17.343 35.239 -52.298
446 3HD1 LEU 54 3HD1 LEU 54 -15.849 34.780 -53.114
447 1HD2 LEU 54 1HD2 LEU 54 -15.947 34.605 -55.323
448 2HD2 LEU 54 2HD2 LEU 54 -17.255 33.786 -56.177
449 3HD2 LEU 54 3HD2 LEU 54 -16.201 32.875 -55.093
450 H VAL 55 H VAL 55 -20.839 35.547 -53.887
451 HA VAL 55 HA VAL 55 -22.332 36.413 -55.375
452 HB VAL 55 HB VAL 55 -21.421 34.172 -57.180
453 1HG1 VAL 55 1HG1 VAL 55 -23.149 35.154 -58.323
454 2HG1 VAL 55 2HG1 VAL 55 -22.884 36.735 -57.584
455 3HG1 VAL 55 3HG1 VAL 55 -21.801 36.160 -58.853
456 1HG2 VAL 55 1HG2 VAL 55 -19.377 35.047 -56.997
457 2HG2 VAL 55 2HG2 VAL 55 -20.007 36.450 -57.861
458 3HG2 VAL 55 3HG2 VAL 55 -19.972 36.442 -56.097
459 HA PRO 56 HA PRO 56 -25.465 33.124 -54.334
460 1HB PRO 56 2HB PRO 56 -27.052 34.758 -52.860
461 2HB PRO 56 3HB PRO 56 -25.682 33.877 -52.174
462 1HG PRO 56 2HG PRO 56 -25.849 36.735 -53.049
463 2HG PRO 56 3HG PRO 56 -25.094 36.051 -51.598
464 1HD PRO 56 2HD PRO 56 -23.665 36.765 -53.784
465 2HD PRO 56 3HD PRO 56 -23.192 35.414 -52.733
466 H GLY 57 H GLY 57 -28.032 33.660 -54.377
467 1HA GLY 57 2HA GLY 57 -28.502 35.365 -56.741
468 2HA GLY 57 3HA GLY 57 -29.175 33.743 -56.636
469 H GLN 58 H GLN 58 -29.500 37.039 -55.696
470 HA GLN 58 HA GLN 58 -31.272 36.910 -53.579
471 1HB GLN 58 2HB GLN 58 -30.205 38.946 -54.856
472 2HB GLN 58 3HB GLN 58 -31.721 38.920 -55.748
473 1HG GLN 58 2HG GLN 58 -31.449 39.177 -52.761
474 2HG GLN 58 3HG GLN 58 -31.776 40.495 -53.885
475 1HE2 GLN 58 1HE2 GLN 58 -33.653 39.664 -55.504
476 2HE2 GLN 58 2HE2 GLN 58 -35.080 39.177 -54.661
Start of MODEL 14
1 1H HIS 2 H HIS 2 9.998 20.623 24.908
2 HA HIS 2 HA HIS 2 12.071 22.024 23.351
3 1HB HIS 2 2HB HIS 2 13.278 22.243 25.593
4 2HB HIS 2 3HB HIS 2 11.878 23.282 25.343
5 HD1 HIS 2 1HD HIS 2 10.642 23.473 27.465
6 HD2 HIS 2 2HD HIS 2 12.122 19.634 26.892
7 HE1 HIS 2 1HE HIS 2 9.839 22.142 29.441
8 H LEU 3 H LEU 3 10.919 19.087 24.289
9 HA LEU 3 HA LEU 3 13.316 17.712 24.959
10 1HB LEU 3 2HB LEU 3 10.703 16.680 23.869
11 2HB LEU 3 3HB LEU 3 12.001 15.672 24.503
12 HG LEU 3 HG LEU 3 10.969 17.747 26.332
13 1HD1 LEU 3 1HD1 LEU 3 8.881 17.063 25.352
14 2HD1 LEU 3 2HD1 LEU 3 9.030 16.343 26.954
15 3HD1 LEU 3 3HD1 LEU 3 9.316 15.362 25.517
16 1HD2 LEU 3 1HD2 LEU 3 10.952 15.314 27.590
17 2HD2 LEU 3 2HD2 LEU 3 12.302 16.448 27.573
18 3HD2 LEU 3 3HD2 LEU 3 12.249 15.124 26.409
19 H MET 4 H MET 4 14.078 15.815 23.578
20 HA MET 4 HA MET 4 14.250 16.667 20.762
21 1HB MET 4 2HB MET 4 16.522 15.724 20.720
22 2HB MET 4 3HB MET 4 16.375 17.023 21.895
23 1HG MET 4 2HG MET 4 15.947 14.254 22.856
24 2HG MET 4 3HG MET 4 17.591 14.736 22.441
25 1HE MET 4 1HE MET 4 18.812 16.390 25.480
26 2HE MET 4 2HE MET 4 18.855 14.814 24.688
27 3HE MET 4 3HE MET 4 19.049 16.286 23.735
28 H TYR 5 H TYR 5 12.465 14.713 22.219
29 HA TYR 5 HA TYR 5 12.523 12.671 20.222
30 1HB TYR 5 2HB TYR 5 12.935 10.759 21.641
31 2HB TYR 5 3HB TYR 5 14.297 11.866 21.774
32 HD1 TYR 5 1HD TYR 5 14.416 13.387 23.803
33 HD2 TYR 5 2HD TYR 5 11.735 10.094 23.549
34 HE1 TYR 5 1HE TYR 5 14.165 13.411 26.250
35 HE2 TYR 5 2HE TYR 5 11.475 10.110 25.995
36 HH TYR 5 HH TYR 5 13.363 11.252 28.037
37 H THR 6 H THR 6 10.502 12.013 19.868
38 HA THR 6 HA THR 6 8.400 12.908 21.642
39 HB THR 6 HB THR 6 6.851 12.135 19.931
40 HG1 THR 6 1HG THR 6 9.187 10.942 18.851
41 1HG2 THR 6 1HG2 THR 6 8.959 14.032 19.480
42 2HG2 THR 6 2HG2 THR 6 7.276 14.091 18.954
43 3HG2 THR 6 3HG2 THR 6 8.487 13.289 17.953
44 H LEU 7 H LEU 7 6.649 11.466 22.320
45 HA LEU 7 HA LEU 7 7.689 8.811 23.046
46 1HB LEU 7 2HB LEU 7 5.552 10.457 24.392
47 2HB LEU 7 3HB LEU 7 6.127 8.879 24.927
48 HG LEU 7 HG LEU 7 7.643 11.484 24.946
49 1HD1 LEU 7 1HD1 LEU 7 5.890 10.719 26.754
50 2HD1 LEU 7 2HD1 LEU 7 7.414 11.475 27.219
51 3HD1 LEU 7 3HD1 LEU 7 7.236 9.722 27.307
52 1HD2 LEU 7 1HD2 LEU 7 9.144 9.579 26.280
53 2HD2 LEU 7 2HD2 LEU 7 9.499 10.279 24.701
54 3HD2 LEU 7 3HD2 LEU 7 8.612 8.757 24.813
55 H GLY 8 H GLY 8 6.163 7.034 23.135
56 1HA GLY 8 2HA GLY 8 4.211 7.233 20.957
57 2HA GLY 8 3HA GLY 8 4.876 5.745 21.614
58 HA PRO 9 HA PRO 9 0.571 6.572 23.314
59 1HB PRO 9 2HB PRO 9 -0.576 4.315 22.333
60 2HB PRO 9 3HB PRO 9 -0.522 5.835 21.432
61 1HG PRO 9 2HG PRO 9 1.240 3.426 21.192
62 2HG PRO 9 3HG PRO 9 0.528 4.424 19.911
63 1HD PRO 9 2HD PRO 9 3.105 4.688 20.700
64 2HD PRO 9 3HD PRO 9 2.140 6.059 20.113
65 H ASP 10 H ASP 10 3.031 4.252 23.502
66 HA ASP 10 HA ASP 10 1.709 2.795 25.678
67 1HB ASP 10 2HB ASP 10 3.587 1.194 25.469
68 2HB ASP 10 3HB ASP 10 2.697 1.385 23.962
69 H GLY 11 H GLY 11 4.136 5.147 25.035
70 1HA GLY 11 2HA GLY 11 4.791 6.553 26.924
71 2HA GLY 11 3HA GLY 11 4.895 5.086 27.889
72 H LYS 12 H LYS 12 6.084 4.419 24.865
73 HA LYS 12 HA LYS 12 8.794 4.353 25.844
74 1HB LYS 12 2HB LYS 12 9.300 3.309 23.657
75 2HB LYS 12 3HB LYS 12 7.994 2.498 24.510
76 1HG LYS 12 2HG LYS 12 6.922 2.611 22.556
77 2HG LYS 12 3HG LYS 12 6.620 4.294 22.997
78 1HD LYS 12 2HD LYS 12 7.526 4.600 20.922
79 2HD LYS 12 3HD LYS 12 9.001 4.631 21.890
80 1HE LYS 12 2HE LYS 12 9.648 3.127 20.313
81 2HE LYS 12 3HE LYS 12 8.887 2.016 21.451
82 1HZ LYS 12 1HZ LYS 12 8.294 2.046 18.886
83 2HZ LYS 12 2HZ LYS 12 7.172 3.198 19.411
84 3HZ LYS 12 3HZ LYS 12 7.155 1.639 20.070
85 H ARG 13 H ARG 13 10.603 5.174 24.480
86 HA ARG 13 HA ARG 13 9.927 7.840 23.429
87 1HB ARG 13 2HB ARG 13 12.437 8.252 23.873
88 2HB ARG 13 3HB ARG 13 11.343 8.197 25.248
89 1HG ARG 13 2HG ARG 13 12.656 5.667 24.437
90 2HG ARG 13 3HG ARG 13 13.647 6.899 25.221
91 1HD ARG 13 2HD ARG 13 12.634 6.626 27.218
92 2HD ARG 13 3HD ARG 13 11.046 6.375 26.493
93 HE ARG 13 HE ARG 13 12.612 4.131 25.944
94 1HH1 ARG 13 2HH1 ARG 13 11.179 5.743 28.677
95 2HH1 ARG 13 1HH1 ARG 13 11.001 4.291 29.605
96 1HH2 ARG 13 2HH2 ARG 13 12.384 2.213 27.157
97 2HH2 ARG 13 1HH2 ARG 13 11.687 2.284 28.740
98 H ILE 14 H ILE 14 10.839 8.553 21.502
99 HA ILE 14 HA ILE 14 12.471 6.679 19.966
100 HB ILE 14 HB ILE 14 9.882 7.821 18.912
101 1HG1 ILE 14 2HG1 ILE 14 10.669 4.945 19.421
102 2HG1 ILE 14 3HG1 ILE 14 9.622 5.896 20.470
103 1HG2 ILE 14 1HG2 ILE 14 10.784 7.599 16.896
104 2HG2 ILE 14 2HG2 ILE 14 12.255 6.911 17.581
105 3HG2 ILE 14 3HG2 ILE 14 10.895 5.863 17.184
106 1HD1 ILE 14 1HD1 ILE 14 8.735 5.895 17.707
107 2HD1 ILE 14 2HD1 ILE 14 8.814 4.279 18.409
108 3HD1 ILE 14 3HD1 ILE 14 7.848 5.532 19.187
109 H TYR 15 H TYR 15 14.207 7.913 19.608
110 HA TYR 15 HA TYR 15 14.360 10.665 19.523
111 1HB TYR 15 2HB TYR 15 16.063 8.490 18.361
112 2HB TYR 15 3HB TYR 15 16.435 10.172 18.002
113 HD1 TYR 15 1HD TYR 15 18.004 11.179 19.350
114 HD2 TYR 15 2HD TYR 15 15.587 8.087 20.993
115 HE1 TYR 15 1HE TYR 15 19.220 11.369 21.480
116 HE2 TYR 15 2HE TYR 15 16.794 8.270 23.128
117 HH TYR 15 HH TYR 15 18.353 9.355 24.274
118 H THR 16 H THR 16 13.010 11.853 18.306
119 HA THR 16 HA THR 16 13.168 11.505 15.395
120 HB THR 16 HB THR 16 10.556 12.236 16.692
121 HG1 THR 16 1HG THR 16 11.166 9.606 15.832
122 1HG2 THR 16 1HG2 THR 16 9.972 12.504 14.558
123 2HG2 THR 16 2HG2 THR 16 10.225 10.775 14.317
124 3HG2 THR 16 3HG2 THR 16 11.538 11.911 14.010
125 H LEU 17 H LEU 17 14.406 13.375 17.314
126 HA LEU 17 HA LEU 17 13.236 15.873 17.411
127 1HB LEU 17 2HB LEU 17 15.383 16.760 17.806
128 2HB LEU 17 3HB LEU 17 15.388 15.133 18.482
129 HG LEU 17 HG LEU 17 16.429 14.575 16.091
130 1HD1 LEU 17 1HD1 LEU 17 18.153 16.588 15.871
131 2HD1 LEU 17 2HD1 LEU 17 16.760 17.496 16.458
132 3HD1 LEU 17 3HD1 LEU 17 16.631 16.543 14.980
133 1HD2 LEU 17 1HD2 LEU 17 17.320 14.647 18.666
134 2HD2 LEU 17 2HD2 LEU 17 18.441 15.750 17.866
135 3HD2 LEU 17 3HD2 LEU 17 18.264 14.093 17.282
136 H LYS 18 H LYS 18 14.789 14.264 14.729
137 HA LYS 18 HA LYS 18 15.328 16.367 13.024
138 1HB LYS 18 2HB LYS 18 14.923 14.736 11.172
139 2HB LYS 18 3HB LYS 18 15.991 14.139 12.435
140 1HG LYS 18 2HG LYS 18 13.989 12.983 13.429
141 2HG LYS 18 3HG LYS 18 13.117 13.409 11.955
142 1HD LYS 18 2HD LYS 18 13.907 11.234 11.569
143 2HD LYS 18 3HD LYS 18 15.038 12.278 10.703
144 1HE LYS 18 2HE LYS 18 16.742 11.888 12.188
145 2HE LYS 18 3HE LYS 18 15.646 11.549 13.526
146 1HZ LYS 18 1HZ LYS 18 16.416 9.468 13.050
147 2HZ LYS 18 2HZ LYS 18 16.581 9.766 11.393
148 3HZ LYS 18 3HZ LYS 18 15.047 9.497 12.056
149 H LYS 19 H LYS 19 12.255 14.972 13.899
150 HA LYS 19 HA LYS 19 10.657 15.929 11.820
151 1HB LYS 19 2HB LYS 19 9.910 14.319 13.551
152 2HB LYS 19 3HB LYS 19 9.896 15.624 14.731
153 1HG LYS 19 2HG LYS 19 8.027 16.608 13.826
154 2HG LYS 19 3HG LYS 19 8.295 15.897 12.231
155 1HD LYS 19 2HD LYS 19 7.580 14.255 14.651
156 2HD LYS 19 3HD LYS 19 6.366 14.950 13.575
157 1HE LYS 19 2HE LYS 19 8.586 13.333 12.415
158 2HE LYS 19 3HE LYS 19 7.247 12.506 13.209
159 1HZ LYS 19 1HZ LYS 19 5.838 14.063 11.689
160 2HZ LYS 19 2HZ LYS 19 6.489 12.629 11.072
161 3HZ LYS 19 3HZ LYS 19 7.245 14.108 10.751
162 H VAL 20 H VAL 20 11.025 17.389 15.059
163 HA VAL 20 HA VAL 20 9.915 19.885 14.156
164 HB VAL 20 HB VAL 20 9.528 19.105 16.449
165 1HG1 VAL 20 1HG1 VAL 20 12.165 18.391 16.440
166 2HG1 VAL 20 2HG1 VAL 20 12.177 19.839 17.448
167 3HG1 VAL 20 3HG1 VAL 20 11.139 18.477 17.873
168 1HG2 VAL 20 1HG2 VAL 20 9.394 21.209 17.219
169 2HG2 VAL 20 2HG2 VAL 20 11.123 21.496 17.023
170 3HG2 VAL 20 3HG2 VAL 20 10.040 21.657 15.640
171 H THR 21 H THR 21 10.963 21.641 13.457
172 HA THR 21 HA THR 21 13.896 21.539 13.373
173 HB THR 21 HB THR 21 12.777 21.782 11.201
174 HG1 THR 21 1HG THR 21 14.264 23.185 10.551
175 1HG2 THR 21 1HG2 THR 21 11.024 23.436 12.556
176 2HG2 THR 21 2HG2 THR 21 11.096 23.208 10.809
177 3HG2 THR 21 3HG2 THR 21 11.957 24.552 11.559
178 H GLU 22 H GLU 22 11.195 23.434 14.520
179 HA GLU 22 HA GLU 22 12.838 25.683 15.286
180 1HB GLU 22 2HB GLU 22 10.778 26.602 16.232
181 2HB GLU 22 3HB GLU 22 10.520 26.042 14.585
182 1HG GLU 22 2HG GLU 22 9.493 23.997 15.437
183 2HG GLU 22 3HG GLU 22 9.750 24.558 17.089
184 H SER 23 H SER 23 13.743 26.056 17.221
185 HA SER 23 HA SER 23 13.583 23.943 19.220
186 1HB SER 23 2HB SER 23 15.403 26.332 18.893
187 2HB SER 23 3HB SER 23 15.449 25.282 20.309
188 HG SER 23 HG SER 23 16.561 24.902 17.906
189 H GLY 24 H GLY 24 12.684 27.293 18.770
190 1HA GLY 24 2HA GLY 24 10.664 27.330 20.648
191 2HA GLY 24 3HA GLY 24 12.107 27.842 21.509
192 H GLU 25 H GLU 25 12.272 29.967 21.663
193 HA GLU 25 HA GLU 25 10.701 31.797 20.257
194 1HB GLU 25 2HB GLU 25 11.920 32.162 22.451
195 2HB GLU 25 3HB GLU 25 13.376 32.425 21.502
196 1HG GLU 25 2HG GLU 25 12.567 34.395 20.573
197 2HG GLU 25 3HG GLU 25 10.896 34.011 20.979
198 H ILE 26 H ILE 26 10.752 32.010 18.112
199 HA ILE 26 HA ILE 26 12.809 31.398 16.381
200 HB ILE 26 HB ILE 26 10.361 32.030 15.859
201 1HG1 ILE 26 2HG1 ILE 26 10.995 32.713 13.542
202 2HG1 ILE 26 3HG1 ILE 26 12.651 32.930 14.098
203 1HG2 ILE 26 1HG2 ILE 26 11.617 34.748 15.519
204 2HG2 ILE 26 2HG2 ILE 26 9.946 34.297 15.192
205 3HG2 ILE 26 3HG2 ILE 26 10.548 34.303 16.849
206 1HD1 ILE 26 1HD1 ILE 26 11.718 30.677 12.972
207 2HD1 ILE 26 2HD1 ILE 26 13.071 30.726 14.104
208 3HD1 ILE 26 3HD1 ILE 26 11.455 30.309 14.677
209 H THR 27 H THR 27 14.270 32.713 15.163
210 HA THR 27 HA THR 27 16.056 34.135 15.081
211 HB THR 27 HB THR 27 15.548 36.450 15.027
212 HG1 THR 27 1HG THR 27 13.478 37.166 15.977
213 1HG2 THR 27 1HG2 THR 27 12.819 35.790 14.322
214 2HG2 THR 27 2HG2 THR 27 13.952 34.586 13.710
215 3HG2 THR 27 3HG2 THR 27 14.158 36.285 13.287
216 H LYS 28 H LYS 28 15.785 32.707 17.545
217 HA LYS 28 HA LYS 28 16.035 34.199 19.860
218 1HB LYS 28 2HB LYS 28 17.388 32.278 20.727
219 2HB LYS 28 3HB LYS 28 15.862 31.812 19.987
220 1HG LYS 28 2HG LYS 28 16.959 31.047 18.019
221 2HG LYS 28 3HG LYS 28 18.500 31.730 18.545
222 1HD LYS 28 2HD LYS 28 17.101 29.687 20.226
223 2HD LYS 28 3HD LYS 28 18.064 29.185 18.835
224 1HE LYS 28 2HE LYS 28 20.037 30.110 19.747
225 2HE LYS 28 3HE LYS 28 19.140 31.006 20.972
226 1HZ LYS 28 1HZ LYS 28 19.340 29.293 22.337
227 2HZ LYS 28 2HZ LYS 28 20.242 28.455 21.179
228 3HZ LYS 28 3HZ LYS 28 18.562 28.270 21.238
229 H SER 29 H SER 29 18.381 33.604 17.333
230 HA SER 29 HA SER 29 20.261 35.384 18.740
231 1HB SER 29 2HB SER 29 21.125 33.084 18.717
232 2HB SER 29 3HB SER 29 20.956 33.031 16.963
233 HG SER 29 HG SER 29 22.901 34.198 18.512
234 H ALA 30 H ALA 30 21.809 36.477 17.234
235 HA ALA 30 HA ALA 30 20.384 37.883 15.238
236 1HB ALA 30 1HB ALA 30 22.381 38.677 16.616
237 2HB ALA 30 2HB ALA 30 23.378 37.821 15.440
238 3HB ALA 30 3HB ALA 30 22.333 39.141 14.915
239 H HIS 31 H HIS 31 21.070 38.085 12.957
240 HA HIS 31 HA HIS 31 20.855 35.692 11.574
241 1HB HIS 31 2HB HIS 31 21.660 38.465 10.838
242 2HB HIS 31 3HB HIS 31 21.980 37.183 9.674
243 HD1 HIS 31 1HD HIS 31 20.119 38.961 8.482
244 HD2 HIS 31 2HD HIS 31 18.781 36.191 11.275
245 HE1 HIS 31 1HE HIS 31 17.648 38.731 8.071
246 HA PRO 32 HA PRO 32 24.834 33.856 11.386
247 1HB PRO 32 2HB PRO 32 24.955 32.972 8.823
248 2HB PRO 32 3HB PRO 32 23.918 32.230 10.047
249 1HG PRO 32 2HG PRO 32 23.211 34.203 7.910
250 2HG PRO 32 3HG PRO 32 22.327 32.759 8.435
251 1HD PRO 32 2HD PRO 32 21.641 35.255 9.230
252 2HD PRO 32 3HD PRO 32 21.413 33.827 10.261
253 H ALA 33 H ALA 33 26.946 34.314 10.921
254 HA ALA 33 HA ALA 33 27.633 36.867 10.000
255 1HB ALA 33 1HB ALA 33 29.299 36.084 11.313
256 2HB ALA 33 2HB ALA 33 29.110 34.422 10.755
257 3HB ALA 33 3HB ALA 33 29.974 35.592 9.760
258 H ARG 34 H ARG 34 27.271 33.831 8.322
259 HA ARG 34 HA ARG 34 27.139 35.047 5.786
260 1HB ARG 34 2HB ARG 34 29.178 34.197 4.758
261 2HB ARG 34 3HB ARG 34 29.569 35.278 6.089
262 1HG ARG 34 2HG ARG 34 29.405 32.380 6.683
263 2HG ARG 34 3HG ARG 34 30.786 32.953 5.746
264 1HD ARG 34 2HD ARG 34 29.913 33.986 8.443
265 2HD ARG 34 3HD ARG 34 31.286 32.923 8.135
266 HE ARG 34 HE ARG 34 31.218 35.752 7.837
267 1HH1 ARG 34 2HH1 ARG 34 32.611 32.844 6.527
268 2HH1 ARG 34 1HH1 ARG 34 34.026 33.639 5.920
269 1HH2 ARG 34 2HH2 ARG 34 33.076 36.810 7.043
270 2HH2 ARG 34 1HH2 ARG 34 34.289 35.895 6.215
271 H PHE 35 H PHE 35 26.911 33.450 4.032
272 HA PHE 35 HA PHE 35 25.363 31.222 4.908
273 1HB PHE 35 2HB PHE 35 26.359 31.708 2.100
274 2HB PHE 35 3HB PHE 35 24.926 30.814 2.598
275 HD1 PHE 35 1HD PHE 35 26.319 34.061 1.840
276 HD2 PHE 35 2HD PHE 35 22.960 32.027 3.481
277 HE1 PHE 35 1HE PHE 35 24.970 36.103 1.600
278 HE2 PHE 35 2HE PHE 35 21.605 34.066 3.243
279 HZ PHE 35 HZ PHE 35 22.609 36.108 2.301
280 H SER 36 H SER 36 26.395 29.574 5.866
281 HA SER 36 HA SER 36 28.040 27.843 4.346
282 1HB SER 36 2HB SER 36 29.980 28.096 6.145
283 2HB SER 36 3HB SER 36 29.948 29.085 4.686
284 HG SER 36 HG SER 36 30.281 30.260 6.688
285 HA PRO 37 HA PRO 37 25.744 26.106 8.009
286 1HB PRO 37 2HB PRO 37 24.364 24.258 6.577
287 2HB PRO 37 3HB PRO 37 23.790 25.912 6.818
288 1HG PRO 37 2HG PRO 37 25.192 24.719 4.458
289 2HG PRO 37 3HG PRO 37 23.805 25.823 4.495
290 1HD PRO 37 2HD PRO 37 26.327 26.669 3.992
291 2HD PRO 37 3HD PRO 37 25.130 27.679 4.829
292 H ASP 38 H ASP 38 27.372 24.597 5.264
293 HA ASP 38 HA ASP 38 28.460 22.579 7.110
294 1HB ASP 38 2HB ASP 38 27.270 22.197 4.383
295 2HB ASP 38 3HB ASP 38 28.523 21.100 4.957
296 H ASP 39 H ASP 39 30.598 21.977 6.789
297 HA ASP 39 HA ASP 39 32.204 23.930 5.377
298 1HB ASP 39 2HB ASP 39 33.055 21.546 7.035
299 2HB ASP 39 3HB ASP 39 34.113 22.828 6.451
300 H LYS 40 H LYS 40 31.046 20.726 4.893
301 HA LYS 40 HA LYS 40 33.050 19.948 2.988
302 1HB LYS 40 2HB LYS 40 31.485 18.460 4.468
303 2HB LYS 40 3HB LYS 40 30.343 18.673 3.147
304 1HG LYS 40 2HG LYS 40 31.352 16.743 2.491
305 2HG LYS 40 3HG LYS 40 32.400 17.917 1.690
306 1HD LYS 40 2HD LYS 40 33.885 16.432 2.720
307 2HD LYS 40 3HD LYS 40 33.824 17.811 3.820
308 1HE LYS 40 2HE LYS 40 32.048 16.551 5.099
309 2HE LYS 40 3HE LYS 40 32.445 15.151 4.107
310 1HZ LYS 40 1HZ LYS 40 33.988 16.417 6.235
311 2HZ LYS 40 2HZ LYS 40 34.859 15.783 4.931
312 3HZ LYS 40 3HZ LYS 40 33.839 14.780 5.833
313 H TYR 41 H TYR 41 30.602 22.151 2.855
314 HA TYR 41 HA TYR 41 29.271 21.737 0.471
315 1HB TYR 41 2HB TYR 41 28.741 24.039 0.487
316 2HB TYR 41 3HB TYR 41 28.939 23.606 2.182
317 HD1 TYR 41 1HD TYR 41 31.547 23.846 2.957
318 HD2 TYR 41 2HD TYR 41 29.627 26.070 -0.120
319 HE1 TYR 41 1HE TYR 41 33.209 25.640 3.225
320 HE2 TYR 41 2HE TYR 41 31.284 27.868 0.137
321 HH TYR 41 HH TYR 41 34.141 27.484 1.999
322 H SER 42 H SER 42 32.563 22.704 1.017
323 HA SER 42 HA SER 42 33.222 23.906 -1.390
324 1HB SER 42 2HB SER 42 34.670 23.491 0.722
325 2HB SER 42 3HB SER 42 35.092 21.965 -0.053
326 HG SER 42 HG SER 42 35.587 24.597 -0.952
327 H ARG 43 H ARG 43 34.801 22.806 -3.015
328 HA ARG 43 HA ARG 43 33.305 20.658 -4.250
329 1HB ARG 43 2HB ARG 43 34.640 21.050 -6.194
330 2HB ARG 43 3HB ARG 43 34.203 22.619 -5.531
331 1HG ARG 43 2HG ARG 43 36.515 22.401 -4.314
332 2HG ARG 43 3HG ARG 43 36.852 21.269 -5.625
333 1HD ARG 43 2HD ARG 43 35.841 24.076 -6.047
334 2HD ARG 43 3HD ARG 43 37.549 23.638 -6.061
335 HE ARG 43 HE ARG 43 36.328 21.954 -7.866
336 1HH1 ARG 43 2HH1 ARG 43 36.707 25.392 -7.469
337 2HH1 ARG 43 1HH1 ARG 43 36.657 25.726 -9.168
338 1HH2 ARG 43 2HH2 ARG 43 36.261 22.381 -10.105
339 2HH2 ARG 43 1HH2 ARG 43 36.403 24.011 -10.667
340 H GLN 44 H GLN 44 35.432 20.611 -1.861
341 HA GLN 44 HA GLN 44 37.417 18.777 -2.693
342 1HB GLN 44 2HB GLN 44 37.306 20.272 -0.571
343 2HB GLN 44 3HB GLN 44 36.411 18.932 0.131
344 1HG GLN 44 2HG GLN 44 38.394 17.484 -0.619
345 2HG GLN 44 3HG GLN 44 39.254 19.013 -0.793
346 1HE2 GLN 44 1HE2 GLN 44 40.697 18.637 0.843
347 2HE2 GLN 44 2HE2 GLN 44 40.245 18.587 2.510
348 H ARG 45 H ARG 45 34.105 18.412 -1.808
349 HA ARG 45 HA ARG 45 34.335 15.574 -1.262
350 1HB ARG 45 2HB ARG 45 31.903 15.657 -0.946
351 2HB ARG 45 3HB ARG 45 32.717 16.895 0.001
352 1HG ARG 45 2HG ARG 45 32.134 18.560 -1.712
353 2HG ARG 45 3HG ARG 45 31.269 17.309 -2.605
354 1HD ARG 45 2HD ARG 45 30.610 17.837 0.263
355 2HD ARG 45 3HD ARG 45 29.970 18.891 -0.998
356 HE ARG 45 HE ARG 45 29.401 16.325 -1.811
357 1HH1 ARG 45 2HH1 ARG 45 28.665 18.325 0.942
358 2HH1 ARG 45 1HH1 ARG 45 27.138 17.565 1.251
359 1HH2 ARG 45 2HH2 ARG 45 27.394 15.316 -1.414
360 2HH2 ARG 45 1HH2 ARG 45 26.417 15.853 -0.089
361 H VAL 46 H VAL 46 33.132 17.687 -3.821
362 HA VAL 46 HA VAL 46 32.147 15.526 -5.434
363 HB VAL 46 HB VAL 46 31.733 17.185 -7.140
364 1HG1 VAL 46 1HG1 VAL 46 30.203 18.598 -5.978
365 2HG1 VAL 46 2HG1 VAL 46 30.242 17.050 -5.131
366 3HG1 VAL 46 3HG1 VAL 46 31.109 18.440 -4.474
367 1HG2 VAL 46 1HG2 VAL 46 32.409 19.551 -6.782
368 2HG2 VAL 46 2HG2 VAL 46 33.393 19.022 -5.418
369 3HG2 VAL 46 3HG2 VAL 46 33.768 18.459 -7.046
370 H THR 47 H THR 47 35.135 17.304 -5.147
371 HA THR 47 HA THR 47 36.347 16.809 -7.579
372 HB THR 47 HB THR 47 37.305 18.188 -5.712
373 HG1 THR 47 1HG THR 47 39.301 17.898 -6.523
374 1HG2 THR 47 1HG2 THR 47 38.151 17.295 -3.813
375 2HG2 THR 47 2HG2 THR 47 38.732 15.844 -4.629
376 3HG2 THR 47 3HG2 THR 47 37.033 15.981 -4.178
377 H LEU 48 H LEU 48 37.505 15.142 -8.473
378 HA LEU 48 HA LEU 48 38.143 13.004 -8.906
379 1HB LEU 48 2HB LEU 48 39.357 13.463 -6.696
380 2HB LEU 48 3HB LEU 48 38.096 12.482 -5.951
381 HG LEU 48 HG LEU 48 38.802 10.642 -7.571
382 1HD1 LEU 48 1HD1 LEU 48 40.346 12.638 -8.661
383 2HD1 LEU 48 2HD1 LEU 48 40.534 10.909 -8.949
384 3HD1 LEU 48 3HD1 LEU 48 41.506 11.707 -7.713
385 1HD2 LEU 48 1HD2 LEU 48 39.468 10.027 -5.516
386 2HD2 LEU 48 2HD2 LEU 48 40.139 11.616 -5.144
387 3HD2 LEU 48 3HD2 LEU 48 41.074 10.466 -6.101
388 H LYS 49 H LYS 49 35.255 13.807 -8.205
389 HA LYS 49 HA LYS 49 33.203 12.828 -8.014
390 1HB LYS 49 2HB LYS 49 34.362 11.807 -10.153
391 2HB LYS 49 3HB LYS 49 34.320 10.325 -9.207
392 1HG LYS 49 2HG LYS 49 31.824 10.842 -8.889
393 2HG LYS 49 3HG LYS 49 32.037 11.964 -10.234
394 1HD LYS 49 2HD LYS 49 31.873 10.280 -11.674
395 2HD LYS 49 3HD LYS 49 33.267 9.495 -10.928
396 1HE LYS 49 2HE LYS 49 31.928 8.234 -9.484
397 2HE LYS 49 3HE LYS 49 30.527 9.278 -9.726
398 1HZ LYS 49 1HZ LYS 49 31.149 6.929 -11.073
399 2HZ LYS 49 2HZ LYS 49 31.321 8.183 -12.196
400 3HZ LYS 49 3HZ LYS 49 29.858 7.982 -11.372
401 H LYS 50 H LYS 50 34.979 12.473 -5.758
402 HA LYS 50 HA LYS 50 33.827 9.995 -4.662
403 1HB LYS 50 2HB LYS 50 36.346 9.937 -5.146
404 2HB LYS 50 3HB LYS 50 36.507 11.079 -3.817
405 1HG LYS 50 2HG LYS 50 35.684 9.509 -2.248
406 2HG LYS 50 3HG LYS 50 35.156 8.410 -3.525
407 1HD LYS 50 2HD LYS 50 37.133 7.434 -2.809
408 2HD LYS 50 3HD LYS 50 37.661 8.389 -4.197
409 1HE LYS 50 2HE LYS 50 38.624 10.034 -2.844
410 2HE LYS 50 3HE LYS 50 37.723 9.516 -1.419
411 1HZ LYS 50 1HZ LYS 50 39.936 8.033 -2.732
412 2HZ LYS 50 2HZ LYS 50 39.037 7.463 -1.417
413 3HZ LYS 50 3HZ LYS 50 40.011 8.835 -1.244
414 H ARG 51 H ARG 51 32.206 10.810 -3.449
415 HA ARG 51 HA ARG 51 32.612 13.186 -1.835
416 1HB ARG 51 2HB ARG 51 30.212 11.368 -2.125
417 2HB ARG 51 3HB ARG 51 30.237 12.867 -1.207
418 1HG ARG 51 2HG ARG 51 30.251 14.180 -3.080
419 2HG ARG 51 3HG ARG 51 31.026 12.943 -4.073
420 1HD ARG 51 2HD ARG 51 28.663 13.332 -4.683
421 2HD ARG 51 3HD ARG 51 28.978 11.676 -4.169
422 HE ARG 51 HE ARG 51 28.154 13.028 -1.912
423 1HH1 ARG 51 2HH1 ARG 51 26.841 12.291 -5.052
424 2HH1 ARG 51 1HH1 ARG 51 25.198 12.265 -4.503
425 1HH2 ARG 51 2HH2 ARG 51 25.995 12.998 -1.178
426 2HH2 ARG 51 1HH2 ARG 51 24.718 12.668 -2.300
427 H PHE 52 H PHE 52 31.109 10.081 -0.965
428 HA PHE 52 HA PHE 52 32.508 10.233 1.617
429 1HB PHE 52 2HB PHE 52 30.718 8.977 2.580
430 2HB PHE 52 3HB PHE 52 29.984 10.247 1.605
431 HD1 PHE 52 1HD PHE 52 29.109 9.660 -0.682
432 HD2 PHE 52 2HD PHE 52 30.247 6.721 2.179
433 HE1 PHE 52 1HE PHE 52 27.800 7.971 -1.901
434 HE2 PHE 52 2HE PHE 52 28.941 5.027 0.964
435 HZ PHE 52 HZ PHE 52 27.715 5.651 -1.080
436 H GLY 53 H GLY 53 33.434 9.075 -1.023
437 1HA GLY 53 2HA GLY 53 35.115 7.389 -1.172
438 2HA GLY 53 3HA GLY 53 34.289 6.497 0.098
439 H LEU 54 H LEU 54 31.669 6.997 -1.289
440 HA LEU 54 HA LEU 54 30.293 5.903 -2.731
441 1HB LEU 54 2HB LEU 54 32.253 6.935 -4.264
442 2HB LEU 54 3HB LEU 54 32.450 5.221 -4.626
443 HG LEU 54 HG LEU 54 29.804 6.624 -4.902
444 1HD1 LEU 54 1HD1 LEU 54 30.308 6.836 -7.296
445 2HD1 LEU 54 2HD1 LEU 54 31.959 6.302 -6.985
446 3HD1 LEU 54 3HD1 LEU 54 31.380 7.820 -6.300
447 1HD2 LEU 54 1HD2 LEU 54 29.409 4.757 -6.495
448 2HD2 LEU 54 2HD2 LEU 54 29.657 4.230 -4.830
449 3HD2 LEU 54 3HD2 LEU 54 30.959 4.069 -6.009
450 H VAL 55 H VAL 55 31.328 4.388 -0.659
451 HA VAL 55 HA VAL 55 31.456 2.230 0.059
452 HB VAL 55 HB VAL 55 30.646 1.439 -2.740
453 1HG1 VAL 55 1HG1 VAL 55 31.073 -0.575 -1.815
454 2HG1 VAL 55 2HG1 VAL 55 30.934 0.032 -0.164
455 3HG1 VAL 55 3HG1 VAL 55 29.481 -0.341 -1.093
456 1HG2 VAL 55 1HG2 VAL 55 29.158 2.809 -0.636
457 2HG2 VAL 55 2HG2 VAL 55 28.780 2.614 -2.348
458 3HG2 VAL 55 3HG2 VAL 55 28.376 1.333 -1.204
459 HA PRO 56 HA PRO 56 35.607 1.915 -2.057
460 1HB PRO 56 2HB PRO 56 37.068 2.234 0.210
461 2HB PRO 56 3HB PRO 56 36.515 3.593 -0.776
462 1HG PRO 56 2HG PRO 56 35.345 2.481 1.744
463 2HG PRO 56 3HG PRO 56 35.585 4.174 1.274
464 1HD PRO 56 2HD PRO 56 33.185 2.937 1.087
465 2HD PRO 56 3HD PRO 56 33.694 4.207 -0.044
466 H GLY 57 H GLY 57 37.553 0.534 -0.994
467 1HA GLY 57 2HA GLY 57 38.101 -1.411 0.303
468 2HA GLY 57 3HA GLY 57 36.398 -1.844 0.301
469 H GLN 58 H GLN 58 38.553 -3.571 -0.399
470 HA GLN 58 HA GLN 58 38.677 -3.771 -3.262
471 1HB GLN 58 2HB GLN 58 40.033 -5.711 -2.907
472 2HB GLN 58 3HB GLN 58 40.512 -4.502 -1.723
473 1HG GLN 58 2HG GLN 58 40.437 -6.381 -0.426
474 2HG GLN 58 3HG GLN 58 38.810 -5.744 -0.188
475 1HE2 GLN 58 1HE2 GLN 58 38.122 -7.843 0.384
476 2HE2 GLN 58 2HE2 GLN 58 37.827 -9.044 -0.821
Start of MODEL 15
1 1H HIS 2 H HIS 2 15.189 19.817 28.160
2 HA HIS 2 HA HIS 2 13.181 20.735 26.563
3 1HB HIS 2 2HB HIS 2 15.807 21.085 25.106
4 2HB HIS 2 3HB HIS 2 14.197 21.369 24.454
5 HD1 HIS 2 1HD HIS 2 16.536 22.765 27.090
6 HD2 HIS 2 2HD HIS 2 13.267 23.909 24.795
7 HE1 HIS 2 1HE HIS 2 16.241 25.226 27.519
8 H LEU 3 H LEU 3 12.318 19.038 25.520
9 HA LEU 3 HA LEU 3 13.607 16.497 25.684
10 1HB LEU 3 2HB LEU 3 11.182 17.005 24.013
11 2HB LEU 3 3HB LEU 3 11.605 15.580 24.958
12 HG LEU 3 HG LEU 3 10.625 18.223 26.032
13 1HD1 LEU 3 1HD1 LEU 3 8.924 16.291 26.901
14 2HD1 LEU 3 2HD1 LEU 3 9.339 15.697 25.294
15 3HD1 LEU 3 3HD1 LEU 3 8.653 17.310 25.488
16 1HD2 LEU 3 1HD2 LEU 3 10.508 16.722 28.166
17 2HD2 LEU 3 2HD2 LEU 3 12.017 17.520 27.724
18 3HD2 LEU 3 3HD2 LEU 3 11.781 15.811 27.355
19 H MET 4 H MET 4 14.045 15.064 23.903
20 HA MET 4 HA MET 4 14.536 16.404 21.336
21 1HB MET 4 2HB MET 4 16.576 15.946 23.043
22 2HB MET 4 3HB MET 4 16.550 14.408 22.191
23 1HG MET 4 2HG MET 4 16.601 15.771 20.049
24 2HG MET 4 3HG MET 4 17.003 17.150 21.069
25 1HE MET 4 1HE MET 4 17.617 13.629 20.270
26 2HE MET 4 2HE MET 4 19.114 13.847 19.365
27 3HE MET 4 3HE MET 4 19.164 13.231 21.018
28 H TYR 5 H TYR 5 12.550 14.423 22.441
29 HA TYR 5 HA TYR 5 12.470 12.722 20.151
30 1HB TYR 5 2HB TYR 5 12.554 10.573 21.402
31 2HB TYR 5 3HB TYR 5 14.091 11.427 21.396
32 HD1 TYR 5 1HD TYR 5 11.116 10.662 23.468
33 HD2 TYR 5 2HD TYR 5 15.132 12.070 23.417
34 HE1 TYR 5 1HE TYR 5 11.183 10.542 25.924
35 HE2 TYR 5 2HE TYR 5 15.209 11.954 25.873
36 HH TYR 5 HH TYR 5 12.542 11.722 27.788
37 H THR 6 H THR 6 10.471 11.712 19.885
38 HA THR 6 HA THR 6 8.370 12.759 21.630
39 HB THR 6 HB THR 6 6.808 12.208 19.864
40 HG1 THR 6 1HG THR 6 7.582 10.351 18.969
41 1HG2 THR 6 1HG2 THR 6 9.301 13.520 18.772
42 2HG2 THR 6 2HG2 THR 6 7.988 14.323 19.633
43 3HG2 THR 6 3HG2 THR 6 7.697 13.615 18.045
44 H LEU 7 H LEU 7 6.981 11.495 22.775
45 HA LEU 7 HA LEU 7 7.769 8.737 23.186
46 1HB LEU 7 2HB LEU 7 5.636 10.407 24.509
47 2HB LEU 7 3HB LEU 7 6.104 8.781 25.001
48 HG LEU 7 HG LEU 7 7.745 11.302 25.195
49 1HD1 LEU 7 1HD1 LEU 7 7.491 11.139 27.481
50 2HD1 LEU 7 2HD1 LEU 7 7.098 9.421 27.423
51 3HD1 LEU 7 3HD1 LEU 7 5.909 10.615 26.903
52 1HD2 LEU 7 1HD2 LEU 7 8.583 8.523 24.997
53 2HD2 LEU 7 2HD2 LEU 7 9.131 9.300 26.484
54 3HD2 LEU 7 3HD2 LEU 7 9.537 10.004 24.918
55 H GLY 8 H GLY 8 6.209 6.980 23.198
56 1HA GLY 8 2HA GLY 8 4.360 7.233 20.940
57 2HA GLY 8 3HA GLY 8 4.948 5.729 21.632
58 HA PRO 9 HA PRO 9 0.584 6.573 23.091
59 1HB PRO 9 2HB PRO 9 -0.450 4.215 22.231
60 2HB PRO 9 3HB PRO 9 -0.378 5.659 21.215
61 1HG PRO 9 2HG PRO 9 1.450 3.289 21.272
62 2HG PRO 9 3HG PRO 9 0.793 4.161 19.876
63 1HD PRO 9 2HD PRO 9 3.311 4.559 20.788
64 2HD PRO 9 3HD PRO 9 2.352 5.851 20.037
65 H ASP 10 H ASP 10 3.011 4.185 23.501
66 HA ASP 10 HA ASP 10 1.622 3.001 25.799
67 1HB ASP 10 2HB ASP 10 2.511 1.369 24.258
68 2HB ASP 10 3HB ASP 10 4.096 2.136 24.293
69 H GLY 11 H GLY 11 4.233 5.096 24.934
70 1HA GLY 11 2HA GLY 11 4.952 6.651 26.690
71 2HA GLY 11 3HA GLY 11 4.965 5.282 27.792
72 H LYS 12 H LYS 12 6.132 4.663 24.635
73 HA LYS 12 HA LYS 12 8.825 4.339 25.695
74 1HB LYS 12 2HB LYS 12 7.702 2.545 24.348
75 2HB LYS 12 3HB LYS 12 7.779 3.614 22.954
76 1HG LYS 12 2HG LYS 12 9.598 2.122 22.771
77 2HG LYS 12 3HG LYS 12 10.271 3.675 23.270
78 1HD LYS 12 2HD LYS 12 11.363 2.272 24.716
79 2HD LYS 12 3HD LYS 12 9.938 2.666 25.680
80 1HE LYS 12 2HE LYS 12 8.875 0.605 25.047
81 2HE LYS 12 3HE LYS 12 10.171 0.236 23.910
82 1HZ LYS 12 1HZ LYS 12 11.187 -0.822 25.550
83 2HZ LYS 12 2HZ LYS 12 10.025 -0.327 26.676
84 3HZ LYS 12 3HZ LYS 12 11.375 0.646 26.369
85 H ARG 13 H ARG 13 10.634 5.379 24.917
86 HA ARG 13 HA ARG 13 10.181 7.957 23.722
87 1HB ARG 13 2HB ARG 13 12.849 6.680 24.312
88 2HB ARG 13 3HB ARG 13 12.484 8.394 24.163
89 1HG ARG 13 2HG ARG 13 11.239 8.366 26.214
90 2HG ARG 13 3HG ARG 13 11.403 6.614 26.335
91 1HD ARG 13 2HD ARG 13 13.861 6.903 26.471
92 2HD ARG 13 3HD ARG 13 13.622 8.649 26.478
93 HE ARG 13 HE ARG 13 13.000 8.522 28.679
94 1HH1 ARG 13 2HH1 ARG 13 12.945 5.333 27.285
95 2HH1 ARG 13 1HH1 ARG 13 12.688 4.533 28.801
96 1HH2 ARG 13 2HH2 ARG 13 12.662 7.481 30.680
97 2HH2 ARG 13 1HH2 ARG 13 12.526 5.756 30.730
98 H ILE 14 H ILE 14 10.884 8.686 21.731
99 HA ILE 14 HA ILE 14 12.111 6.759 19.903
100 HB ILE 14 HB ILE 14 9.591 8.277 19.210
101 1HG1 ILE 14 2HG1 ILE 14 9.984 5.295 19.523
102 2HG1 ILE 14 3HG1 ILE 14 9.273 6.327 20.758
103 1HG2 ILE 14 1HG2 ILE 14 10.735 8.122 17.210
104 2HG2 ILE 14 2HG2 ILE 14 11.483 6.585 17.636
105 3HG2 ILE 14 3HG2 ILE 14 9.776 6.643 17.194
106 1HD1 ILE 14 1HD1 ILE 14 8.088 5.190 18.371
107 2HD1 ILE 14 2HD1 ILE 14 7.322 5.844 19.819
108 3HD1 ILE 14 3HD1 ILE 14 7.804 6.925 18.511
109 H TYR 15 H TYR 15 13.968 7.909 19.670
110 HA TYR 15 HA TYR 15 14.276 10.657 19.562
111 1HB TYR 15 2HB TYR 15 15.877 8.354 18.534
112 2HB TYR 15 3HB TYR 15 16.334 9.983 18.048
113 HD1 TYR 15 1HD TYR 15 15.038 8.707 21.306
114 HD2 TYR 15 2HD TYR 15 18.284 10.482 19.205
115 HE1 TYR 15 1HE TYR 15 16.248 8.993 23.428
116 HE2 TYR 15 2HE TYR 15 19.504 10.771 21.321
117 HH TYR 15 HH TYR 15 18.309 10.848 24.135
118 H THR 16 H THR 16 13.048 11.912 18.292
119 HA THR 16 HA THR 16 13.355 11.647 15.410
120 HB THR 16 HB THR 16 11.285 10.370 15.988
121 HG1 THR 16 1HG THR 16 10.654 12.737 14.549
122 1HG2 THR 16 1HG2 THR 16 10.664 11.914 17.897
123 2HG2 THR 16 2HG2 THR 16 9.347 11.462 16.816
124 3HG2 THR 16 3HG2 THR 16 10.097 13.052 16.675
125 H LEU 17 H LEU 17 14.248 13.526 17.466
126 HA LEU 17 HA LEU 17 12.815 15.871 17.644
127 1HB LEU 17 2HB LEU 17 14.845 15.564 18.877
128 2HB LEU 17 3HB LEU 17 15.787 15.451 17.392
129 HG LEU 17 HG LEU 17 15.007 17.884 16.987
130 1HD1 LEU 17 1HD1 LEU 17 14.962 18.796 19.565
131 2HD1 LEU 17 2HD1 LEU 17 13.972 17.339 19.663
132 3HD1 LEU 17 3HD1 LEU 17 13.553 18.615 18.519
133 1HD2 LEU 17 1HD2 LEU 17 17.129 18.315 17.473
134 2HD2 LEU 17 2HD2 LEU 17 17.237 16.727 18.234
135 3HD2 LEU 17 3HD2 LEU 17 16.815 18.141 19.200
136 H LYS 18 H LYS 18 15.324 15.167 15.204
137 HA LYS 18 HA LYS 18 15.720 16.051 13.142
138 1HB LYS 18 2HB LYS 18 12.722 15.871 13.235
139 2HB LYS 18 3HB LYS 18 13.540 16.502 11.812
140 1HG LYS 18 2HG LYS 18 14.673 14.440 11.450
141 2HG LYS 18 3HG LYS 18 14.126 13.804 13.005
142 1HD LYS 18 2HD LYS 18 11.787 13.957 12.185
143 2HD LYS 18 3HD LYS 18 12.410 14.454 10.609
144 1HE LYS 18 2HE LYS 18 13.715 12.319 10.551
145 2HE LYS 18 3HE LYS 18 12.864 11.827 12.015
146 1HZ LYS 18 1HZ LYS 18 10.993 12.690 10.100
147 2HZ LYS 18 2HZ LYS 18 11.169 11.153 10.785
148 3HZ LYS 18 3HZ LYS 18 12.019 11.555 9.378
149 H LYS 19 H LYS 19 15.971 17.918 15.167
150 HA LYS 19 HA LYS 19 14.540 20.281 14.924
151 1HB LYS 19 2HB LYS 19 16.067 20.006 16.746
152 2HB LYS 19 3HB LYS 19 17.429 19.797 15.653
153 1HG LYS 19 2HG LYS 19 17.538 22.052 15.147
154 2HG LYS 19 3HG LYS 19 15.872 22.348 15.650
155 1HD LYS 19 2HD LYS 19 17.392 23.285 17.280
156 2HD LYS 19 3HD LYS 19 16.537 21.914 17.989
157 1HE LYS 19 2HE LYS 19 18.417 20.554 17.936
158 2HE LYS 19 3HE LYS 19 19.204 21.524 16.692
159 1HZ LYS 19 1HZ LYS 19 20.145 21.747 18.982
160 2HZ LYS 19 2HZ LYS 19 18.710 22.513 19.443
161 3HZ LYS 19 3HZ LYS 19 19.696 23.208 18.256
162 H VAL 20 H VAL 20 16.997 18.942 12.862
163 HA VAL 20 HA VAL 20 17.809 21.247 11.495
164 HB VAL 20 HB VAL 20 17.549 18.493 10.287
165 1HG1 VAL 20 1HG1 VAL 20 19.157 20.937 9.617
166 2HG1 VAL 20 2HG1 VAL 20 19.637 19.331 9.066
167 3HG1 VAL 20 3HG1 VAL 20 18.080 20.004 8.579
168 1HG2 VAL 20 1HG2 VAL 20 19.270 19.478 12.426
169 2HG2 VAL 20 2HG2 VAL 20 18.932 17.825 11.914
170 3HG2 VAL 20 3HG2 VAL 20 20.164 18.772 11.080
171 H THR 21 H THR 21 17.171 22.128 9.500
172 HA THR 21 HA THR 21 14.315 21.810 8.948
173 HB THR 21 HB THR 21 15.253 24.095 9.362
174 HG1 THR 21 1HG THR 21 13.334 23.929 8.197
175 1HG2 THR 21 1HG2 THR 21 16.256 24.519 6.699
176 2HG2 THR 21 2HG2 THR 21 17.190 23.261 7.509
177 3HG2 THR 21 3HG2 THR 21 17.029 24.854 8.248
178 H GLU 22 H GLU 22 13.813 22.313 6.498
179 HA GLU 22 HA GLU 22 15.570 20.616 4.852
180 1HB GLU 22 2HB GLU 22 13.673 19.635 3.783
181 2HB GLU 22 3HB GLU 22 13.417 19.509 5.518
182 1HG GLU 22 2HG GLU 22 11.953 21.484 5.419
183 2HG GLU 22 3HG GLU 22 12.167 21.529 3.670
184 H SER 23 H SER 23 15.329 23.582 5.205
185 HA SER 23 HA SER 23 14.183 24.568 2.760
186 1HB SER 23 2HB SER 23 14.221 25.951 4.798
187 2HB SER 23 3HB SER 23 15.985 25.953 4.763
188 HG SER 23 HG SER 23 14.311 26.972 2.708
189 H GLY 24 H GLY 24 15.684 22.775 1.717
190 1HA GLY 24 2HA GLY 24 17.967 24.254 0.601
191 2HA GLY 24 3HA GLY 24 18.226 22.631 1.222
192 H GLU 25 H GLU 25 16.401 21.058 0.320
193 HA GLU 25 HA GLU 25 16.717 21.172 -2.567
194 1HB GLU 25 2HB GLU 25 17.077 19.103 -1.024
195 2HB GLU 25 3HB GLU 25 15.326 18.956 -1.100
196 1HG GLU 25 2HG GLU 25 17.129 19.029 -3.506
197 2HG GLU 25 3HG GLU 25 16.533 17.555 -2.746
198 H ILE 26 H ILE 26 15.238 22.205 -3.725
199 HA ILE 26 HA ILE 26 12.414 21.990 -2.904
200 HB ILE 26 HB ILE 26 13.313 24.288 -2.683
201 1HG1 ILE 26 2HG1 ILE 26 11.284 23.991 -4.908
202 2HG1 ILE 26 3HG1 ILE 26 10.921 23.862 -3.190
203 1HG2 ILE 26 1HG2 ILE 26 14.818 23.859 -4.793
204 2HG2 ILE 26 2HG2 ILE 26 13.435 24.540 -5.646
205 3HG2 ILE 26 3HG2 ILE 26 14.251 25.482 -4.399
206 1HD1 ILE 26 1HD1 ILE 26 10.312 26.022 -3.622
207 2HD1 ILE 26 2HD1 ILE 26 11.981 26.246 -3.096
208 3HD1 ILE 26 3HD1 ILE 26 11.589 26.261 -4.815
209 H THR 27 H THR 27 10.854 21.743 -4.528
210 HA THR 27 HA THR 27 11.887 20.519 -6.971
211 HB THR 27 HB THR 27 9.366 19.958 -7.267
212 HG1 THR 27 1HG THR 27 8.826 21.446 -5.459
213 1HG2 THR 27 1HG2 THR 27 10.770 18.153 -6.835
214 2HG2 THR 27 2HG2 THR 27 9.637 18.096 -5.484
215 3HG2 THR 27 3HG2 THR 27 11.248 18.777 -5.256
216 H LYS 28 H LYS 28 12.129 21.789 -8.684
217 HA LYS 28 HA LYS 28 11.030 24.346 -8.986
218 1HB LYS 28 2HB LYS 28 11.933 24.328 -11.193
219 2HB LYS 28 3HB LYS 28 13.047 23.425 -10.177
220 1HG LYS 28 2HG LYS 28 11.947 21.328 -10.988
221 2HG LYS 28 3HG LYS 28 11.057 22.323 -12.143
222 1HD LYS 28 2HD LYS 28 12.872 21.630 -13.398
223 2HD LYS 28 3HD LYS 28 13.417 23.200 -12.800
224 1HE LYS 28 2HE LYS 28 15.251 21.872 -12.368
225 2HE LYS 28 3HE LYS 28 14.391 21.803 -10.831
226 1HZ LYS 28 1HZ LYS 28 13.546 19.762 -12.646
227 2HZ LYS 28 2HZ LYS 28 14.080 19.627 -11.046
228 3HZ LYS 28 3HZ LYS 28 15.202 19.665 -12.312
229 H SER 29 H SER 29 9.668 24.982 -10.942
230 HA SER 29 HA SER 29 7.572 25.054 -11.836
231 1HB SER 29 2HB SER 29 7.019 23.275 -13.257
232 2HB SER 29 3HB SER 29 8.770 23.132 -13.108
233 HG SER 29 HG SER 29 8.532 21.297 -12.097
234 H ALA 30 H ALA 30 7.692 24.766 -9.003
235 HA ALA 30 HA ALA 30 4.996 23.808 -8.544
236 1HB ALA 30 1HB ALA 30 6.640 22.745 -6.432
237 2HB ALA 30 2HB ALA 30 5.461 21.927 -7.459
238 3HB ALA 30 3HB ALA 30 7.132 22.096 -7.998
239 H HIS 31 H HIS 31 4.131 25.563 -7.647
240 HA HIS 31 HA HIS 31 5.271 26.600 -5.189
241 1HB HIS 31 2HB HIS 31 5.193 28.132 -7.743
242 2HB HIS 31 3HB HIS 31 4.795 28.994 -6.260
243 HD1 HIS 31 1HD HIS 31 7.606 27.980 -8.289
244 HD2 HIS 31 2HD HIS 31 6.966 28.776 -4.261
245 HE1 HIS 31 1HE HIS 31 9.890 28.363 -7.307
246 HA PRO 32 HA PRO 32 1.078 27.163 -4.031
247 1HB PRO 32 2HB PRO 32 1.183 29.406 -2.506
248 2HB PRO 32 3HB PRO 32 1.835 27.852 -1.974
249 1HG PRO 32 2HG PRO 32 3.268 30.206 -3.143
250 2HG PRO 32 3HG PRO 32 3.736 29.176 -1.778
251 1HD PRO 32 2HD PRO 32 4.793 28.881 -4.253
252 2HD PRO 32 3HD PRO 32 4.552 27.512 -3.148
253 H ALA 33 H ALA 33 0.109 27.606 -6.046
254 HA ALA 33 HA ALA 33 -0.965 30.263 -6.277
255 1HB ALA 33 1HB ALA 33 0.262 31.094 -7.932
256 2HB ALA 33 2HB ALA 33 1.382 29.753 -7.683
257 3HB ALA 33 3HB ALA 33 0.096 29.615 -8.881
258 H ARG 34 H ARG 34 -2.108 30.250 -8.692
259 HA ARG 34 HA ARG 34 -3.158 27.809 -9.604
260 1HB ARG 34 2HB ARG 34 -5.457 27.974 -8.722
261 2HB ARG 34 3HB ARG 34 -4.274 27.701 -7.451
262 1HG ARG 34 2HG ARG 34 -4.314 30.225 -7.102
263 2HG ARG 34 3HG ARG 34 -5.767 30.216 -8.103
264 1HD ARG 34 2HD ARG 34 -6.364 30.129 -5.754
265 2HD ARG 34 3HD ARG 34 -6.807 28.621 -6.553
266 HE ARG 34 HE ARG 34 -5.375 27.526 -5.158
267 1HH1 ARG 34 2HH1 ARG 34 -4.508 30.898 -5.220
268 2HH1 ARG 34 1HH1 ARG 34 -3.300 30.744 -3.987
269 1HH2 ARG 34 2HH2 ARG 34 -3.787 27.311 -3.534
270 2HH2 ARG 34 1HH2 ARG 34 -2.890 28.703 -3.030
271 H PHE 35 H PHE 35 -4.014 28.132 -11.566
272 HA PHE 35 HA PHE 35 -4.684 30.898 -12.316
273 1HB PHE 35 2HB PHE 35 -4.028 30.374 -14.562
274 2HB PHE 35 3HB PHE 35 -2.753 29.798 -13.495
275 HD1 PHE 35 1HD PHE 35 -5.103 28.927 -16.044
276 HD2 PHE 35 2HD PHE 35 -2.695 27.336 -12.915
277 HE1 PHE 35 1HE PHE 35 -5.285 26.688 -17.047
278 HE2 PHE 35 2HE PHE 35 -2.874 25.094 -13.914
279 HZ PHE 35 HZ PHE 35 -4.168 24.768 -15.983
280 H SER 36 H SER 36 -6.432 28.795 -11.088
281 HA SER 36 HA SER 36 -8.536 27.948 -11.299
282 1HB SER 36 2HB SER 36 -9.043 30.028 -13.415
283 2HB SER 36 3HB SER 36 -10.149 29.409 -12.189
284 HG SER 36 HG SER 36 -9.543 31.067 -11.063
285 HA PRO 37 HA PRO 37 -7.394 25.646 -15.168
286 1HB PRO 37 2HB PRO 37 -7.416 23.197 -13.996
287 2HB PRO 37 3HB PRO 37 -5.992 24.243 -14.008
288 1HG PRO 37 2HG PRO 37 -8.006 23.812 -11.835
289 2HG PRO 37 3HG PRO 37 -6.240 23.924 -11.719
290 1HD PRO 37 2HD PRO 37 -7.874 25.996 -11.113
291 2HD PRO 37 3HD PRO 37 -6.254 26.227 -11.802
292 H ASP 38 H ASP 38 -9.940 25.573 -12.852
293 HA ASP 38 HA ASP 38 -11.623 23.594 -13.787
294 1HB ASP 38 2HB ASP 38 -11.906 25.208 -11.786
295 2HB ASP 38 3HB ASP 38 -12.687 26.279 -12.947
296 H ASP 39 H ASP 39 -13.736 23.971 -14.973
297 HA ASP 39 HA ASP 39 -13.106 25.111 -17.561
298 1HB ASP 39 2HB ASP 39 -15.584 23.652 -16.618
299 2HB ASP 39 3HB ASP 39 -15.214 24.077 -18.286
300 H LYS 40 H LYS 40 -14.898 25.961 -14.747
301 HA LYS 40 HA LYS 40 -16.558 27.912 -16.096
302 1HB LYS 40 2HB LYS 40 -17.115 26.532 -13.955
303 2HB LYS 40 3HB LYS 40 -16.186 27.770 -13.121
304 1HG LYS 40 2HG LYS 40 -18.255 28.679 -12.937
305 2HG LYS 40 3HG LYS 40 -17.785 29.374 -14.490
306 1HD LYS 40 2HD LYS 40 -19.116 26.719 -14.513
307 2HD LYS 40 3HD LYS 40 -20.108 28.130 -14.135
308 1HE LYS 40 2HE LYS 40 -19.051 29.172 -16.236
309 2HE LYS 40 3HE LYS 40 -18.563 27.525 -16.635
310 1HZ LYS 40 1HZ LYS 40 -21.141 28.756 -16.827
311 2HZ LYS 40 2HZ LYS 40 -21.195 27.286 -15.992
312 3HZ LYS 40 3HZ LYS 40 -20.563 27.345 -17.560
313 H TYR 41 H TYR 41 -13.395 27.861 -15.457
314 HA TYR 41 HA TYR 41 -12.731 30.142 -14.057
315 1HB TYR 41 2HB TYR 41 -10.615 30.064 -15.129
316 2HB TYR 41 3HB TYR 41 -11.166 28.395 -15.033
317 HD1 TYR 41 1HD TYR 41 -12.486 27.550 -17.162
318 HD2 TYR 41 2HD TYR 41 -9.782 30.834 -17.142
319 HE1 TYR 41 1HE TYR 41 -12.180 27.304 -19.590
320 HE2 TYR 41 2HE TYR 41 -9.469 30.598 -19.570
321 HH TYR 41 HH TYR 41 -10.214 29.593 -21.434
322 H SER 42 H SER 42 -13.997 29.836 -17.294
323 HA SER 42 HA SER 42 -13.681 32.722 -17.730
324 1HB SER 42 2HB SER 42 -12.864 31.547 -19.609
325 2HB SER 42 3HB SER 42 -14.214 30.413 -19.592
326 HG SER 42 HG SER 42 -14.741 31.804 -21.170
327 H ARG 43 H ARG 43 -15.345 33.507 -16.447
328 HA ARG 43 HA ARG 43 -17.954 32.523 -16.331
329 1HB ARG 43 2HB ARG 43 -18.531 34.520 -15.231
330 2HB ARG 43 3HB ARG 43 -16.836 34.271 -14.838
331 1HG ARG 43 2HG ARG 43 -17.800 36.076 -17.044
332 2HG ARG 43 3HG ARG 43 -17.436 36.617 -15.404
333 1HD ARG 43 2HD ARG 43 -15.537 35.388 -17.394
334 2HD ARG 43 3HD ARG 43 -15.521 37.040 -16.778
335 HE ARG 43 HE ARG 43 -15.272 35.400 -14.575
336 1HH1 ARG 43 2HH1 ARG 43 -13.497 36.006 -17.507
337 2HH1 ARG 43 1HH1 ARG 43 -11.959 35.617 -16.811
338 1HH2 ARG 43 2HH2 ARG 43 -13.253 34.886 -13.646
339 2HH2 ARG 43 1HH2 ARG 43 -11.821 34.980 -14.615
340 H GLN 44 H GLN 44 -16.349 34.307 -18.792
341 HA GLN 44 HA GLN 44 -18.390 35.687 -20.034
342 1HB GLN 44 2HB GLN 44 -15.860 35.480 -20.622
343 2HB GLN 44 3HB GLN 44 -16.385 34.160 -21.658
344 1HG GLN 44 2HG GLN 44 -18.078 35.901 -22.576
345 2HG GLN 44 3HG GLN 44 -16.971 37.076 -21.868
346 1HE2 GLN 44 1HE2 GLN 44 -17.536 36.867 -24.610
347 2HE2 GLN 44 2HE2 GLN 44 -16.085 36.405 -25.427
348 H ARG 45 H ARG 45 -17.710 32.253 -20.057
349 HA ARG 45 HA ARG 45 -19.210 31.400 -22.213
350 1HB ARG 45 2HB ARG 45 -17.771 30.095 -20.430
351 2HB ARG 45 3HB ARG 45 -19.331 29.854 -19.657
352 1HG ARG 45 2HG ARG 45 -20.156 28.916 -21.831
353 2HG ARG 45 3HG ARG 45 -18.487 28.968 -22.401
354 1HD ARG 45 2HD ARG 45 -18.624 26.812 -21.613
355 2HD ARG 45 3HD ARG 45 -18.000 27.657 -20.197
356 HE ARG 45 HE ARG 45 -20.663 27.752 -19.812
357 1HH1 ARG 45 2HH1 ARG 45 -18.483 25.151 -20.585
358 2HH1 ARG 45 1HH1 ARG 45 -19.427 23.944 -19.775
359 1HH2 ARG 45 2HH2 ARG 45 -21.915 26.174 -18.742
360 2HH2 ARG 45 1HH2 ARG 45 -21.379 24.527 -18.728
361 H VAL 46 H VAL 46 -20.278 32.467 -19.055
362 HA VAL 46 HA VAL 46 -22.988 31.582 -19.386
363 HB VAL 46 HB VAL 46 -21.823 33.566 -17.427
364 1HG1 VAL 46 1HG1 VAL 46 -24.501 32.178 -17.446
365 2HG1 VAL 46 2HG1 VAL 46 -23.875 33.180 -16.135
366 3HG1 VAL 46 3HG1 VAL 46 -24.215 33.897 -17.710
367 1HG2 VAL 46 1HG2 VAL 46 -20.895 31.276 -17.271
368 2HG2 VAL 46 2HG2 VAL 46 -21.815 31.747 -15.842
369 3HG2 VAL 46 3HG2 VAL 46 -22.531 30.660 -17.032
370 H THR 47 H THR 47 -21.257 34.641 -19.754
371 HA THR 47 HA THR 47 -23.386 36.368 -20.137
372 HB THR 47 HB THR 47 -20.880 36.587 -21.788
373 HG1 THR 47 1HG THR 47 -21.082 37.451 -19.090
374 1HG2 THR 47 1HG2 THR 47 -21.277 38.862 -21.782
375 2HG2 THR 47 2HG2 THR 47 -22.213 38.803 -20.289
376 3HG2 THR 47 3HG2 THR 47 -22.922 38.229 -21.798
377 H LEU 48 H LEU 48 -24.820 36.735 -21.722
378 HA LEU 48 HA LEU 48 -25.264 34.860 -23.753
379 1HB LEU 48 2HB LEU 48 -26.329 37.552 -23.089
380 2HB LEU 48 3HB LEU 48 -26.660 36.907 -24.696
381 HG LEU 48 HG LEU 48 -27.616 34.868 -23.516
382 1HD1 LEU 48 1HD1 LEU 48 -28.487 36.003 -21.157
383 2HD1 LEU 48 2HD1 LEU 48 -26.785 36.457 -21.234
384 3HD1 LEU 48 3HD1 LEU 48 -27.248 34.758 -21.324
385 1HD2 LEU 48 1HD2 LEU 48 -28.766 37.583 -23.697
386 2HD2 LEU 48 2HD2 LEU 48 -29.660 36.414 -22.726
387 3HD2 LEU 48 3HD2 LEU 48 -29.307 36.067 -24.420
388 H LYS 49 H LYS 49 -24.115 34.518 -25.524
389 HA LYS 49 HA LYS 49 -22.157 36.305 -26.504
390 1HB LYS 49 2HB LYS 49 -23.360 33.744 -27.474
391 2HB LYS 49 3HB LYS 49 -22.367 34.688 -28.576
392 1HG LYS 49 2HG LYS 49 -21.305 34.076 -25.865
393 2HG LYS 49 3HG LYS 49 -21.327 32.800 -27.085
394 1HD LYS 49 2HD LYS 49 -20.221 34.593 -28.605
395 2HD LYS 49 3HD LYS 49 -19.836 35.397 -27.082
396 1HE LYS 49 2HE LYS 49 -18.755 33.302 -26.310
397 2HE LYS 49 3HE LYS 49 -19.052 32.602 -27.901
398 1HZ LYS 49 1HZ LYS 49 -16.808 33.470 -27.725
399 2HZ LYS 49 2HZ LYS 49 -17.401 35.009 -27.351
400 3HZ LYS 49 3HZ LYS 49 -17.688 34.342 -28.879
401 H LYS 50 H LYS 50 -25.512 35.750 -27.321
402 HA LYS 50 HA LYS 50 -25.395 38.061 -29.128
403 1HB LYS 50 2HB LYS 50 -26.834 36.991 -30.736
404 2HB LYS 50 3HB LYS 50 -25.441 35.955 -30.456
405 1HG LYS 50 2HG LYS 50 -26.859 34.649 -28.849
406 2HG LYS 50 3HG LYS 50 -28.238 35.592 -29.417
407 1HD LYS 50 2HD LYS 50 -28.381 33.761 -30.794
408 2HD LYS 50 3HD LYS 50 -27.378 34.828 -31.780
409 1HE LYS 50 2HE LYS 50 -26.055 32.964 -29.867
410 2HE LYS 50 3HE LYS 50 -26.708 32.315 -31.371
411 1HZ LYS 50 1HZ LYS 50 -24.760 32.921 -32.236
412 2HZ LYS 50 2HZ LYS 50 -24.371 33.931 -30.936
413 3HZ LYS 50 3HZ LYS 50 -25.350 34.507 -32.190
414 H ARG 51 H ARG 51 -27.154 39.417 -29.069
415 HA ARG 51 HA ARG 51 -28.867 39.153 -26.758
416 1HB ARG 51 2HB ARG 51 -27.746 41.306 -27.818
417 2HB ARG 51 3HB ARG 51 -29.226 41.330 -28.767
418 1HG ARG 51 2HG ARG 51 -30.571 41.555 -26.830
419 2HG ARG 51 3HG ARG 51 -29.208 41.206 -25.765
420 1HD ARG 51 2HD ARG 51 -29.195 43.561 -27.626
421 2HD ARG 51 3HD ARG 51 -29.936 43.650 -26.029
422 HE ARG 51 HE ARG 51 -27.413 42.647 -25.610
423 1HH1 ARG 51 2HH1 ARG 51 -28.770 45.528 -27.019
424 2HH1 ARG 51 1HH1 ARG 51 -27.419 46.528 -26.597
425 1HH2 ARG 51 2HH2 ARG 51 -25.629 43.954 -25.049
426 2HH2 ARG 51 1HH2 ARG 51 -25.633 45.631 -25.478
427 H PHE 52 H PHE 52 -29.447 39.681 -30.240
428 HA PHE 52 HA PHE 52 -32.190 39.364 -30.245
429 1HB PHE 52 2HB PHE 52 -31.988 38.802 -32.619
430 2HB PHE 52 3HB PHE 52 -30.899 40.119 -32.198
431 HD1 PHE 52 1HD PHE 52 -31.171 36.735 -33.429
432 HD2 PHE 52 2HD PHE 52 -28.470 39.687 -31.978
433 HE1 PHE 52 1HE PHE 52 -29.286 35.469 -34.375
434 HE2 PHE 52 2HE PHE 52 -26.580 38.427 -32.922
435 HZ PHE 52 HZ PHE 52 -26.987 36.315 -34.123
436 H GLY 53 H GLY 53 -33.525 37.720 -29.867
437 1HA GLY 53 2HA GLY 53 -32.699 34.987 -30.432
438 2HA GLY 53 3HA GLY 53 -33.004 35.356 -28.742
439 H LEU 54 H LEU 54 -34.836 36.951 -31.218
440 HA LEU 54 HA LEU 54 -37.235 35.569 -30.276
441 1HB LEU 54 2HB LEU 54 -36.971 38.121 -30.401
442 2HB LEU 54 3HB LEU 54 -37.179 37.920 -32.139
443 HG LEU 54 HG LEU 54 -39.234 36.793 -30.292
444 1HD1 LEU 54 1HD1 LEU 54 -38.626 39.239 -29.705
445 2HD1 LEU 54 2HD1 LEU 54 -40.319 38.806 -29.944
446 3HD1 LEU 54 3HD1 LEU 54 -39.430 39.626 -31.227
447 1HD2 LEU 54 1HD2 LEU 54 -38.918 37.367 -33.123
448 2HD2 LEU 54 2HD2 LEU 54 -40.417 38.020 -32.463
449 3HD2 LEU 54 3HD2 LEU 54 -40.059 36.299 -32.304
450 H VAL 55 H VAL 55 -35.241 35.971 -33.093
451 HA VAL 55 HA VAL 55 -36.672 33.833 -34.426
452 HB VAL 55 HB VAL 55 -37.913 35.765 -35.226
453 1HG1 VAL 55 1HG1 VAL 55 -36.986 37.741 -35.662
454 2HG1 VAL 55 2HG1 VAL 55 -35.464 37.080 -35.062
455 3HG1 VAL 55 3HG1 VAL 55 -35.833 37.022 -36.786
456 1HG2 VAL 55 1HG2 VAL 55 -37.625 33.980 -36.803
457 2HG2 VAL 55 2HG2 VAL 55 -37.479 35.510 -37.667
458 3HG2 VAL 55 3HG2 VAL 55 -36.033 34.582 -37.266
459 HA PRO 56 HA PRO 56 -32.480 32.918 -35.502
460 1HB PRO 56 2HB PRO 56 -33.001 30.898 -37.240
461 2HB PRO 56 3HB PRO 56 -33.131 30.714 -35.487
462 1HG PRO 56 2HG PRO 56 -35.288 31.201 -37.505
463 2HG PRO 56 3HG PRO 56 -35.280 30.093 -36.120
464 1HD PRO 56 2HD PRO 56 -36.520 32.499 -36.055
465 2HD PRO 56 3HD PRO 56 -35.778 31.769 -34.617
466 H GLY 57 H GLY 57 -31.860 34.777 -36.633
467 1HA GLY 57 2HA GLY 57 -32.764 35.355 -39.277
468 2HA GLY 57 3HA GLY 57 -31.399 36.102 -38.460
469 H GLN 58 H GLN 58 -32.419 33.305 -40.344
470 HA GLN 58 HA GLN 58 -29.754 32.305 -40.690
471 1HB GLN 58 2HB GLN 58 -32.426 31.441 -41.303
472 2HB GLN 58 3HB GLN 58 -31.415 31.291 -42.734
473 1HG GLN 58 2HG GLN 58 -29.810 29.959 -41.473
474 2HG GLN 58 3HG GLN 58 -30.810 30.119 -40.029
475 1HE2 GLN 58 1HE2 GLN 58 -31.553 28.140 -39.662
476 2HE2 GLN 58 2HE2 GLN 58 -32.390 27.154 -40.808
Start of MODEL 16
1 1H HIS 2 H HIS 2 11.154 21.001 25.984
2 HA HIS 2 HA HIS 2 12.319 21.617 23.348
3 1HB HIS 2 2HB HIS 2 13.645 21.629 26.066
4 2HB HIS 2 3HB HIS 2 14.503 21.822 24.540
5 HD1 HIS 2 1HD HIS 2 12.592 23.678 27.064
6 HD2 HIS 2 2HD HIS 2 13.862 24.272 23.154
7 HE1 HIS 2 1HE HIS 2 12.347 26.146 26.645
8 H LEU 3 H LEU 3 10.967 19.156 24.310
9 HA LEU 3 HA LEU 3 12.924 17.156 24.790
10 1HB LEU 3 2HB LEU 3 10.080 17.014 23.814
11 2HB LEU 3 3HB LEU 3 11.066 15.589 24.134
12 HG LEU 3 HG LEU 3 10.687 17.599 26.305
13 1HD1 LEU 3 1HD1 LEU 3 8.444 17.084 25.250
14 2HD1 LEU 3 2HD1 LEU 3 8.604 16.718 26.967
15 3HD1 LEU 3 3HD1 LEU 3 8.686 15.419 25.779
16 1HD2 LEU 3 1HD2 LEU 3 10.579 15.297 27.534
17 2HD2 LEU 3 2HD2 LEU 3 12.127 15.941 26.989
18 3HD2 LEU 3 3HD2 LEU 3 11.311 14.692 26.048
19 H MET 4 H MET 4 14.230 16.128 23.424
20 HA MET 4 HA MET 4 13.915 16.633 20.557
21 1HB MET 4 2HB MET 4 16.255 15.579 22.154
22 2HB MET 4 3HB MET 4 16.253 15.768 20.405
23 1HG MET 4 2HG MET 4 15.655 18.087 22.193
24 2HG MET 4 3HG MET 4 17.316 17.600 21.864
25 1HE MET 4 1HE MET 4 16.480 20.246 21.538
26 2HE MET 4 2HE MET 4 16.672 20.849 19.892
27 3HE MET 4 3HE MET 4 15.062 20.477 20.514
28 H TYR 5 H TYR 5 12.319 14.664 22.105
29 HA TYR 5 HA TYR 5 12.530 12.495 20.241
30 1HB TYR 5 2HB TYR 5 12.864 10.724 21.929
31 2HB TYR 5 3HB TYR 5 14.257 11.793 21.810
32 HD1 TYR 5 1HD TYR 5 14.673 13.477 23.594
33 HD2 TYR 5 2HD TYR 5 11.628 10.527 23.954
34 HE1 TYR 5 1HE TYR 5 14.571 13.887 26.018
35 HE2 TYR 5 2HE TYR 5 11.518 10.928 26.379
36 HH TYR 5 HH TYR 5 12.247 13.249 27.894
37 H THR 6 H THR 6 10.522 11.909 19.788
38 HA THR 6 HA THR 6 8.334 12.749 21.465
39 HB THR 6 HB THR 6 6.888 11.781 19.716
40 HG1 THR 6 1HG THR 6 7.739 10.246 18.544
41 1HG2 THR 6 1HG2 THR 6 8.777 13.911 19.389
42 2HG2 THR 6 2HG2 THR 6 7.132 13.781 18.768
43 3HG2 THR 6 3HG2 THR 6 8.480 13.141 17.830
44 H LEU 7 H LEU 7 6.649 11.321 22.221
45 HA LEU 7 HA LEU 7 7.715 8.699 23.019
46 1HB LEU 7 2HB LEU 7 5.548 10.369 24.285
47 2HB LEU 7 3HB LEU 7 6.099 8.799 24.865
48 HG LEU 7 HG LEU 7 7.629 11.394 24.865
49 1HD1 LEU 7 1HD1 LEU 7 7.036 11.570 26.998
50 2HD1 LEU 7 2HD1 LEU 7 7.482 9.898 27.331
51 3HD1 LEU 7 3HD1 LEU 7 5.876 10.274 26.707
52 1HD2 LEU 7 1HD2 LEU 7 8.585 8.650 24.816
53 2HD2 LEU 7 2HD2 LEU 7 9.122 9.533 26.246
54 3HD2 LEU 7 3HD2 LEU 7 9.474 10.163 24.636
55 H GLY 8 H GLY 8 6.071 6.960 23.305
56 1HA GLY 8 2HA GLY 8 4.254 6.988 21.000
57 2HA GLY 8 3HA GLY 8 4.842 5.555 21.829
58 HA PRO 9 HA PRO 9 0.476 6.560 23.201
59 1HB PRO 9 2HB PRO 9 -0.592 4.161 22.510
60 2HB PRO 9 3HB PRO 9 -0.499 5.530 21.394
61 1HG PRO 9 2HG PRO 9 1.295 3.144 21.619
62 2HG PRO 9 3HG PRO 9 0.649 3.924 20.164
63 1HD PRO 9 2HD PRO 9 3.173 4.350 21.046
64 2HD PRO 9 3HD PRO 9 2.232 5.599 20.206
65 H ASP 10 H ASP 10 2.873 4.177 23.783
66 HA ASP 10 HA ASP 10 1.492 3.289 26.226
67 1HB ASP 10 2HB ASP 10 2.313 1.604 24.442
68 2HB ASP 10 3HB ASP 10 3.925 1.957 25.059
69 H GLY 11 H GLY 11 4.149 5.085 25.016
70 1HA GLY 11 2HA GLY 11 5.114 6.652 26.675
71 2HA GLY 11 3HA GLY 11 5.250 5.272 27.754
72 H LYS 12 H LYS 12 5.925 4.518 24.518
73 HA LYS 12 HA LYS 12 8.676 3.986 25.128
74 1HB LYS 12 2HB LYS 12 6.848 2.954 23.347
75 2HB LYS 12 3HB LYS 12 7.917 3.880 22.302
76 1HG LYS 12 2HG LYS 12 9.807 2.641 23.586
77 2HG LYS 12 3HG LYS 12 8.522 1.505 24.002
78 1HD LYS 12 2HD LYS 12 8.041 1.163 21.638
79 2HD LYS 12 3HD LYS 12 9.283 2.339 21.201
80 1HE LYS 12 2HE LYS 12 10.304 0.243 20.928
81 2HE LYS 12 3HE LYS 12 10.911 0.847 22.469
82 1HZ LYS 12 1HZ LYS 12 8.603 -0.561 23.043
83 2HZ LYS 12 2HZ LYS 12 10.194 -1.026 23.376
84 3HZ LYS 12 3HZ LYS 12 9.454 -1.519 21.938
85 H ARG 13 H ARG 13 10.408 5.214 24.739
86 HA ARG 13 HA ARG 13 10.047 7.872 23.698
87 1HB ARG 13 2HB ARG 13 12.675 6.575 24.402
88 2HB ARG 13 3HB ARG 13 12.278 8.288 24.395
89 1HG ARG 13 2HG ARG 13 10.643 7.780 26.257
90 2HG ARG 13 3HG ARG 13 11.405 6.191 26.356
91 1HD ARG 13 2HD ARG 13 13.455 8.158 26.300
92 2HD ARG 13 3HD ARG 13 12.259 8.649 27.499
93 HE ARG 13 HE ARG 13 12.882 6.871 28.809
94 1HH1 ARG 13 2HH1 ARG 13 14.207 6.478 25.614
95 2HH1 ARG 13 1HH1 ARG 13 15.210 5.137 26.053
96 1HH2 ARG 13 2HH2 ARG 13 14.200 5.105 29.400
97 2HH2 ARG 13 1HH2 ARG 13 15.205 4.355 28.207
98 H ILE 14 H ILE 14 11.043 8.764 21.873
99 HA ILE 14 HA ILE 14 12.369 6.949 20.009
100 HB ILE 14 HB ILE 14 9.898 8.531 19.297
101 1HG1 ILE 14 2HG1 ILE 14 10.456 5.559 19.193
102 2HG1 ILE 14 3HG1 ILE 14 9.488 6.366 20.423
103 1HG2 ILE 14 1HG2 ILE 14 10.219 7.621 17.024
104 2HG2 ILE 14 2HG2 ILE 14 11.512 8.717 17.511
105 3HG2 ILE 14 3HG2 ILE 14 11.780 6.975 17.530
106 1HD1 ILE 14 1HD1 ILE 14 7.954 5.442 18.921
107 2HD1 ILE 14 2HD1 ILE 14 8.014 7.157 18.516
108 3HD1 ILE 14 3HD1 ILE 14 8.871 5.984 17.516
109 H TYR 15 H TYR 15 14.126 7.911 19.252
110 HA TYR 15 HA TYR 15 14.614 10.694 19.680
111 1HB TYR 15 2HB TYR 15 16.162 8.495 18.324
112 2HB TYR 15 3HB TYR 15 16.727 10.163 18.320
113 HD1 TYR 15 1HD TYR 15 17.000 7.114 19.964
114 HD2 TYR 15 2HD TYR 15 16.680 11.280 20.768
115 HE1 TYR 15 1HE TYR 15 18.031 6.763 22.170
116 HE2 TYR 15 2HE TYR 15 17.711 10.941 22.974
117 HH TYR 15 HH TYR 15 19.200 9.292 24.076
118 H THR 16 H THR 16 15.546 12.035 17.823
119 HA THR 16 HA THR 16 15.077 13.264 15.960
120 HB THR 16 HB THR 16 15.167 12.152 13.907
121 HG1 THR 16 1HG THR 16 14.151 10.290 13.500
122 1HG2 THR 16 1HG2 THR 16 16.978 11.522 15.742
123 2HG2 THR 16 2HG2 THR 16 17.005 10.808 14.130
124 3HG2 THR 16 3HG2 THR 16 16.319 9.908 15.482
125 H LEU 17 H LEU 17 12.850 12.593 17.797
126 HA LEU 17 HA LEU 17 10.556 12.596 17.901
127 1HB LEU 17 2HB LEU 17 9.590 14.523 16.905
128 2HB LEU 17 3HB LEU 17 11.233 14.939 17.387
129 HG LEU 17 HG LEU 17 10.842 14.067 14.583
130 1HD1 LEU 17 1HD1 LEU 17 10.121 16.318 13.910
131 2HD1 LEU 17 2HD1 LEU 17 9.904 16.743 15.608
132 3HD1 LEU 17 3HD1 LEU 17 8.904 15.487 14.879
133 1HD2 LEU 17 1HD2 LEU 17 12.269 16.510 14.960
134 2HD2 LEU 17 2HD2 LEU 17 12.875 14.942 14.428
135 3HD2 LEU 17 3HD2 LEU 17 12.822 15.331 16.147
136 H LYS 18 H LYS 18 11.480 10.500 16.268
137 HA LYS 18 HA LYS 18 9.988 10.444 13.816
138 1HB LYS 18 2HB LYS 18 12.166 9.128 14.568
139 2HB LYS 18 3HB LYS 18 10.982 7.943 15.104
140 1HG LYS 18 2HG LYS 18 10.062 8.407 12.628
141 2HG LYS 18 3HG LYS 18 11.779 8.731 12.378
142 1HD LYS 18 2HD LYS 18 12.338 6.542 13.287
143 2HD LYS 18 3HD LYS 18 10.631 6.220 13.601
144 1HE LYS 18 2HE LYS 18 11.792 6.765 10.872
145 2HE LYS 18 3HE LYS 18 11.508 5.153 11.527
146 1HZ LYS 18 1HZ LYS 18 9.629 5.603 10.259
147 2HZ LYS 18 2HZ LYS 18 9.525 7.210 10.779
148 3HZ LYS 18 3HZ LYS 18 9.122 5.951 11.835
149 H LYS 19 H LYS 19 8.054 11.126 15.341
150 HA LYS 19 HA LYS 19 6.714 9.215 16.879
151 1HB LYS 19 2HB LYS 19 4.772 10.622 16.686
152 2HB LYS 19 3HB LYS 19 6.191 11.650 16.827
153 1HG LYS 19 2HG LYS 19 6.144 11.783 14.284
154 2HG LYS 19 3HG LYS 19 4.523 11.094 14.399
155 1HD LYS 19 2HD LYS 19 3.895 12.959 15.912
156 2HD LYS 19 3HD LYS 19 5.488 13.669 15.642
157 1HE LYS 19 2HE LYS 19 3.642 13.005 13.369
158 2HE LYS 19 3HE LYS 19 3.535 14.539 14.232
159 1HZ LYS 19 1HZ LYS 19 5.147 14.037 12.117
160 2HZ LYS 19 2HZ LYS 19 6.209 13.870 13.422
161 3HZ LYS 19 3HZ LYS 19 5.346 15.309 13.214
162 H VAL 20 H VAL 20 6.840 9.711 13.427
163 HA VAL 20 HA VAL 20 4.592 8.290 12.608
164 HB VAL 20 HB VAL 20 7.278 8.416 11.229
165 1HG1 VAL 20 1HG1 VAL 20 5.498 8.245 9.234
166 2HG1 VAL 20 2HG1 VAL 20 6.273 6.835 9.959
167 3HG1 VAL 20 3HG1 VAL 20 4.649 7.306 10.462
168 1HG2 VAL 20 1HG2 VAL 20 6.819 10.600 11.091
169 2HG2 VAL 20 2HG2 VAL 20 5.573 10.135 9.931
170 3HG2 VAL 20 3HG2 VAL 20 5.154 10.374 11.628
171 H THR 21 H THR 21 4.047 6.204 12.604
172 HA THR 21 HA THR 21 6.152 4.209 13.125
173 HB THR 21 HB THR 21 4.728 4.554 15.121
174 HG1 THR 21 1HG THR 21 5.610 2.479 14.732
175 1HG2 THR 21 1HG2 THR 21 2.391 3.832 15.080
176 2HG2 THR 21 2HG2 THR 21 2.505 3.540 13.344
177 3HG2 THR 21 3HG2 THR 21 2.653 5.180 13.975
178 H GLU 22 H GLU 22 5.722 2.059 12.311
179 HA GLU 22 HA GLU 22 4.631 2.112 9.675
180 1HB GLU 22 2HB GLU 22 6.570 0.655 10.764
181 2HB GLU 22 3HB GLU 22 5.246 -0.470 11.032
182 1HG GLU 22 2HG GLU 22 4.771 -0.004 8.489
183 2HG GLU 22 3HG GLU 22 6.476 0.443 8.487
184 H SER 23 H SER 23 2.559 1.937 9.178
185 HA SER 23 HA SER 23 0.597 1.093 11.072
186 1HB SER 23 2HB SER 23 0.062 2.817 9.435
187 2HB SER 23 3HB SER 23 0.359 1.690 8.113
188 HG SER 23 HG SER 23 -1.873 2.042 9.594
189 H GLY 24 H GLY 24 2.378 -0.454 8.529
190 1HA GLY 24 2HA GLY 24 2.419 -2.620 7.770
191 2HA GLY 24 3HA GLY 24 1.782 -3.048 9.352
192 H GLU 25 H GLU 25 0.082 -0.966 7.107
193 HA GLU 25 HA GLU 25 -2.069 -2.947 6.994
194 1HB GLU 25 2HB GLU 25 -3.522 -1.156 6.368
195 2HB GLU 25 3HB GLU 25 -2.537 -0.588 7.710
196 1HG GLU 25 2HG GLU 25 -1.007 0.362 5.838
197 2HG GLU 25 3HG GLU 25 -2.447 0.195 4.836
198 H ILE 26 H ILE 26 -3.312 -3.014 4.882
199 HA ILE 26 HA ILE 26 -1.750 -4.072 2.862
200 HB ILE 26 HB ILE 26 -4.218 -4.381 3.105
201 1HG1 ILE 26 2HG1 ILE 26 -4.663 -4.479 0.668
202 2HG1 ILE 26 3HG1 ILE 26 -3.226 -3.503 0.383
203 1HG2 ILE 26 1HG2 ILE 26 -4.407 -1.727 1.692
204 2HG2 ILE 26 2HG2 ILE 26 -5.741 -2.766 2.190
205 3HG2 ILE 26 3HG2 ILE 26 -4.740 -1.974 3.406
206 1HD1 ILE 26 1HD1 ILE 26 -3.040 -6.093 1.861
207 2HD1 ILE 26 2HD1 ILE 26 -3.080 -6.050 0.097
208 3HD1 ILE 26 3HD1 ILE 26 -1.791 -5.221 0.970
209 H THR 27 H THR 27 -0.998 -3.329 0.884
210 HA THR 27 HA THR 27 -0.175 -0.587 0.832
211 HB THR 27 HB THR 27 0.813 -1.189 -1.398
212 HG1 THR 27 1HG THR 27 -0.416 -2.838 -2.153
213 1HG2 THR 27 1HG2 THR 27 2.523 -1.560 -0.002
214 2HG2 THR 27 2HG2 THR 27 2.106 -3.269 -0.119
215 3HG2 THR 27 3HG2 THR 27 1.475 -2.298 1.210
216 H LYS 28 H LYS 28 -0.851 1.061 -0.476
217 HA LYS 28 HA LYS 28 -3.521 1.141 -1.292
218 1HB LYS 28 2HB LYS 28 -2.944 3.258 -2.393
219 2HB LYS 28 3HB LYS 28 -2.243 3.156 -0.784
220 1HG LYS 28 2HG LYS 28 -0.107 2.397 -1.898
221 2HG LYS 28 3HG LYS 28 -0.853 2.860 -3.430
222 1HD LYS 28 2HD LYS 28 0.422 4.726 -2.760
223 2HD LYS 28 3HD LYS 28 -1.251 5.137 -2.375
224 1HE LYS 28 2HE LYS 28 -0.921 4.899 -0.098
225 2HE LYS 28 3HE LYS 28 0.475 3.843 -0.307
226 1HZ LYS 28 1HZ LYS 28 1.142 6.024 0.467
227 2HZ LYS 28 2HZ LYS 28 0.408 6.760 -0.867
228 3HZ LYS 28 3HZ LYS 28 1.747 5.751 -1.089
229 H SER 29 H SER 29 -4.315 1.574 -3.517
230 HA SER 29 HA SER 29 -3.106 -0.347 -5.372
231 1HB SER 29 2HB SER 29 -5.860 0.910 -5.337
232 2HB SER 29 3HB SER 29 -5.296 -0.236 -6.552
233 HG SER 29 HG SER 29 -5.903 -1.724 -5.214
234 H ALA 30 H ALA 30 -3.222 0.206 -7.715
235 HA ALA 30 HA ALA 30 -1.878 2.660 -8.200
236 1HB ALA 30 1HB ALA 30 -1.292 1.680 -10.111
237 2HB ALA 30 2HB ALA 30 -2.165 0.257 -9.542
238 3HB ALA 30 3HB ALA 30 -2.973 1.427 -10.584
239 H HIS 31 H HIS 31 -5.064 1.474 -9.289
240 HA HIS 31 HA HIS 31 -5.837 4.258 -9.826
241 1HB HIS 31 2HB HIS 31 -6.631 1.631 -10.983
242 2HB HIS 31 3HB HIS 31 -7.852 2.899 -10.927
243 HD1 HIS 31 1HD HIS 31 -6.581 5.348 -11.841
244 HD2 HIS 31 2HD HIS 31 -5.454 1.666 -13.401
245 HE1 HIS 31 1HE HIS 31 -5.511 5.857 -14.059
246 HA PRO 32 HA PRO 32 -8.762 4.391 -6.562
247 1HB PRO 32 2HB PRO 32 -10.851 5.704 -7.696
248 2HB PRO 32 3HB PRO 32 -9.328 6.499 -7.278
249 1HG PRO 32 2HG PRO 32 -10.273 5.486 -9.933
250 2HG PRO 32 3HG PRO 32 -9.443 7.005 -9.545
251 1HD PRO 32 2HD PRO 32 -8.152 4.864 -10.587
252 2HD PRO 32 3HD PRO 32 -7.370 6.000 -9.468
253 H ALA 33 H ALA 33 -9.701 2.920 -9.567
254 HA ALA 33 HA ALA 33 -11.125 1.220 -10.080
255 1HB ALA 33 1HB ALA 33 -9.964 0.104 -8.218
256 2HB ALA 33 2HB ALA 33 -11.174 0.738 -7.103
257 3HB ALA 33 3HB ALA 33 -11.647 -0.403 -8.362
258 H ARG 34 H ARG 34 -12.215 3.815 -9.776
259 HA ARG 34 HA ARG 34 -14.684 3.627 -8.309
260 1HB ARG 34 2HB ARG 34 -13.422 5.677 -10.093
261 2HB ARG 34 3HB ARG 34 -15.129 5.806 -9.691
262 1HG ARG 34 2HG ARG 34 -13.172 5.431 -7.484
263 2HG ARG 34 3HG ARG 34 -13.295 7.013 -8.257
264 1HD ARG 34 2HD ARG 34 -15.874 6.609 -7.889
265 2HD ARG 34 3HD ARG 34 -15.294 5.527 -6.624
266 HE ARG 34 HE ARG 34 -15.215 8.403 -6.621
267 1HH1 ARG 34 2HH1 ARG 34 -13.812 5.491 -5.326
268 2HH1 ARG 34 1HH1 ARG 34 -13.222 6.260 -3.890
269 1HH2 ARG 34 2HH2 ARG 34 -14.444 9.425 -4.734
270 2HH2 ARG 34 1HH2 ARG 34 -13.584 8.496 -3.553
271 H PHE 35 H PHE 35 -15.928 1.987 -9.120
272 HA PHE 35 HA PHE 35 -17.343 2.536 -11.559
273 1HB PHE 35 2HB PHE 35 -16.795 0.504 -12.737
274 2HB PHE 35 3HB PHE 35 -15.299 1.357 -12.373
275 HD1 PHE 35 1HD PHE 35 -17.203 -1.666 -11.918
276 HD2 PHE 35 2HD PHE 35 -13.857 0.554 -10.505
277 HE1 PHE 35 1HE PHE 35 -16.321 -3.691 -10.834
278 HE2 PHE 35 2HE PHE 35 -12.969 -1.467 -9.420
279 HZ PHE 35 HZ PHE 35 -14.200 -3.593 -9.584
280 H SER 36 H SER 36 -19.323 1.518 -11.649
281 HA SER 36 HA SER 36 -20.558 0.774 -9.296
282 1HB SER 36 2HB SER 36 -21.219 0.453 -12.183
283 2HB SER 36 3HB SER 36 -22.170 -0.472 -11.022
284 HG SER 36 HG SER 36 -22.164 2.221 -11.541
285 HA PRO 37 HA PRO 37 -19.558 -3.408 -8.429
286 1HB PRO 37 2HB PRO 37 -21.938 -4.422 -7.605
287 2HB PRO 37 3HB PRO 37 -20.993 -3.281 -6.639
288 1HG PRO 37 2HG PRO 37 -23.357 -2.767 -8.404
289 2HG PRO 37 3HG PRO 37 -23.001 -2.118 -6.791
290 1HD PRO 37 2HD PRO 37 -22.572 -0.702 -9.060
291 2HD PRO 37 3HD PRO 37 -21.556 -0.523 -7.615
292 H ASP 38 H ASP 38 -22.520 -3.034 -10.357
293 HA ASP 38 HA ASP 38 -21.585 -5.008 -12.242
294 1HB ASP 38 2HB ASP 38 -22.891 -6.143 -10.243
295 2HB ASP 38 3HB ASP 38 -24.301 -5.577 -11.134
296 H ASP 39 H ASP 39 -22.708 -4.958 -14.221
297 HA ASP 39 HA ASP 39 -23.982 -2.435 -14.765
298 1HB ASP 39 2HB ASP 39 -23.138 -4.780 -16.445
299 2HB ASP 39 3HB ASP 39 -24.162 -3.517 -17.122
300 H LYS 40 H LYS 40 -24.994 -5.655 -14.091
301 HA LYS 40 HA LYS 40 -27.530 -5.597 -15.350
302 1HB LYS 40 2HB LYS 40 -26.215 -7.272 -13.269
303 2HB LYS 40 3HB LYS 40 -27.968 -7.347 -13.385
304 1HG LYS 40 2HG LYS 40 -27.468 -9.012 -14.828
305 2HG LYS 40 3HG LYS 40 -27.387 -7.662 -15.962
306 1HD LYS 40 2HD LYS 40 -24.924 -7.528 -15.458
307 2HD LYS 40 3HD LYS 40 -25.097 -9.043 -14.570
308 1HE LYS 40 2HE LYS 40 -24.396 -9.712 -16.692
309 2HE LYS 40 3HE LYS 40 -26.142 -9.959 -16.727
310 1HZ LYS 40 1HZ LYS 40 -26.160 -8.706 -18.539
311 2HZ LYS 40 2HZ LYS 40 -24.537 -8.267 -18.349
312 3HZ LYS 40 3HZ LYS 40 -25.751 -7.375 -17.579
313 H TYR 41 H TYR 41 -26.340 -4.417 -12.290
314 HA TYR 41 HA TYR 41 -28.720 -4.128 -10.881
315 1HB TYR 41 2HB TYR 41 -26.052 -2.833 -10.806
316 2HB TYR 41 3HB TYR 41 -27.364 -1.976 -10.005
317 HD1 TYR 41 1HD TYR 41 -26.191 -5.525 -10.249
318 HD2 TYR 41 2HD TYR 41 -27.497 -2.346 -7.740
319 HE1 TYR 41 1HE TYR 41 -25.929 -6.978 -8.282
320 HE2 TYR 41 2HE TYR 41 -27.237 -3.790 -5.766
321 HH TYR 41 HH TYR 41 -25.588 -6.753 -5.860
322 H SER 42 H SER 42 -27.491 -2.352 -13.582
323 HA SER 42 HA SER 42 -29.187 -0.060 -13.222
324 1HB SER 42 2HB SER 42 -26.976 -0.036 -14.445
325 2HB SER 42 3HB SER 42 -27.770 -0.911 -15.754
326 HG SER 42 HG SER 42 -27.664 1.553 -15.736
327 H ARG 43 H ARG 43 -31.323 -0.354 -13.339
328 HA ARG 43 HA ARG 43 -32.542 -2.353 -14.978
329 1HB ARG 43 2HB ARG 43 -33.463 -1.475 -12.799
330 2HB ARG 43 3HB ARG 43 -33.894 -0.000 -13.656
331 1HG ARG 43 2HG ARG 43 -35.097 -1.713 -15.268
332 2HG ARG 43 3HG ARG 43 -35.094 -2.708 -13.810
333 1HD ARG 43 2HD ARG 43 -36.084 0.133 -13.843
334 2HD ARG 43 3HD ARG 43 -37.131 -1.244 -14.182
335 HE ARG 43 HE ARG 43 -35.682 -1.476 -11.711
336 1HH1 ARG 43 2HH1 ARG 43 -38.545 -0.222 -13.245
337 2HH1 ARG 43 1HH1 ARG 43 -39.471 -0.184 -11.782
338 1HH2 ARG 43 2HH2 ARG 43 -36.892 -1.432 -9.777
339 2HH2 ARG 43 1HH2 ARG 43 -38.530 -0.873 -9.810
340 H GLN 44 H GLN 44 -31.705 0.984 -15.385
341 HA GLN 44 HA GLN 44 -33.472 1.750 -17.396
342 1HB GLN 44 2HB GLN 44 -31.643 3.099 -16.109
343 2HB GLN 44 3HB GLN 44 -30.604 2.623 -17.446
344 1HG GLN 44 2HG GLN 44 -31.383 4.685 -18.115
345 2HG GLN 44 3HG GLN 44 -32.473 3.574 -18.942
346 1HE2 GLN 44 1HE2 GLN 44 -33.726 5.643 -19.004
347 2HE2 GLN 44 2HE2 GLN 44 -34.800 5.954 -17.687
348 H ARG 45 H ARG 45 -30.794 -0.423 -17.486
349 HA ARG 45 HA ARG 45 -30.042 -0.328 -20.156
350 1HB ARG 45 2HB ARG 45 -28.943 -1.669 -18.344
351 2HB ARG 45 3HB ARG 45 -30.255 -2.832 -18.480
352 1HG ARG 45 2HG ARG 45 -28.847 -2.154 -20.982
353 2HG ARG 45 3HG ARG 45 -27.932 -3.069 -19.781
354 1HD ARG 45 2HD ARG 45 -29.290 -4.903 -19.943
355 2HD ARG 45 3HD ARG 45 -30.699 -3.952 -20.410
356 HE ARG 45 HE ARG 45 -30.139 -4.316 -22.586
357 1HH1 ARG 45 2HH1 ARG 45 -27.293 -4.749 -20.629
358 2HH1 ARG 45 1HH1 ARG 45 -26.301 -5.264 -21.954
359 1HH2 ARG 45 2HH2 ARG 45 -28.845 -4.992 -24.338
360 2HH2 ARG 45 1HH2 ARG 45 -27.185 -5.400 -24.063
361 H VAL 46 H VAL 46 -32.930 -1.570 -18.703
362 HA VAL 46 HA VAL 46 -33.824 -3.408 -20.560
363 HB VAL 46 HB VAL 46 -35.016 -2.941 -18.472
364 1HG1 VAL 46 1HG1 VAL 46 -36.296 -0.532 -19.677
365 2HG1 VAL 46 2HG1 VAL 46 -36.109 -0.981 -17.980
366 3HG1 VAL 46 3HG1 VAL 46 -34.726 -0.370 -18.888
367 1HG2 VAL 46 1HG2 VAL 46 -36.116 -3.622 -20.886
368 2HG2 VAL 46 2HG2 VAL 46 -36.928 -3.739 -19.324
369 3HG2 VAL 46 3HG2 VAL 46 -37.173 -2.319 -20.342
370 H THR 47 H THR 47 -33.834 0.101 -20.733
371 HA THR 47 HA THR 47 -35.338 0.110 -23.216
372 HB THR 47 HB THR 47 -34.399 2.666 -22.944
373 HG1 THR 47 1HG THR 47 -34.949 1.771 -20.302
374 1HG2 THR 47 1HG2 THR 47 -36.728 1.997 -23.312
375 2HG2 THR 47 2HG2 THR 47 -36.605 3.184 -22.014
376 3HG2 THR 47 3HG2 THR 47 -36.848 1.481 -21.631
377 H LEU 48 H LEU 48 -34.309 -0.462 -25.018
378 HA LEU 48 HA LEU 48 -31.875 0.918 -25.762
379 1HB LEU 48 2HB LEU 48 -32.000 -2.062 -25.390
380 2HB LEU 48 3HB LEU 48 -30.804 -1.286 -26.425
381 HG LEU 48 HG LEU 48 -31.103 -0.783 -23.465
382 1HD1 LEU 48 1HD1 LEU 48 -29.298 -2.219 -23.085
383 2HD1 LEU 48 2HD1 LEU 48 -28.884 -2.301 -24.798
384 3HD1 LEU 48 3HD1 LEU 48 -30.336 -3.106 -24.202
385 1HD2 LEU 48 1HD2 LEU 48 -30.167 1.098 -24.736
386 2HD2 LEU 48 2HD2 LEU 48 -28.941 0.024 -25.409
387 3HD2 LEU 48 3HD2 LEU 48 -28.968 0.356 -23.676
388 H LYS 49 H LYS 49 -32.689 1.781 -27.582
389 HA LYS 49 HA LYS 49 -33.663 1.968 -29.636
390 1HB LYS 49 2HB LYS 49 -31.606 0.199 -29.805
391 2HB LYS 49 3HB LYS 49 -32.929 -0.779 -30.431
392 1HG LYS 49 2HG LYS 49 -32.134 1.934 -31.469
393 2HG LYS 49 3HG LYS 49 -31.697 0.389 -32.201
394 1HD LYS 49 2HD LYS 49 -34.555 1.186 -31.713
395 2HD LYS 49 3HD LYS 49 -33.697 1.617 -33.194
396 1HE LYS 49 2HE LYS 49 -33.882 -1.213 -32.195
397 2HE LYS 49 3HE LYS 49 -35.100 -0.502 -33.253
398 1HZ LYS 49 1HZ LYS 49 -33.070 -1.805 -34.222
399 2HZ LYS 49 2HZ LYS 49 -32.284 -0.318 -34.046
400 3HZ LYS 49 3HZ LYS 49 -33.670 -0.433 -35.010
401 H LYS 50 H LYS 50 -35.465 1.162 -27.676
402 HA LYS 50 HA LYS 50 -36.982 -1.109 -28.271
403 1HB LYS 50 2HB LYS 50 -38.696 -0.162 -26.910
404 2HB LYS 50 3HB LYS 50 -37.158 0.325 -26.209
405 1HG LYS 50 2HG LYS 50 -38.113 2.352 -26.152
406 2HG LYS 50 3HG LYS 50 -37.631 2.416 -27.848
407 1HD LYS 50 2HD LYS 50 -39.832 2.952 -28.085
408 2HD LYS 50 3HD LYS 50 -39.971 1.195 -28.158
409 1HE LYS 50 2HE LYS 50 -40.117 2.566 -25.512
410 2HE LYS 50 3HE LYS 50 -41.522 2.596 -26.577
411 1HZ LYS 50 1HZ LYS 50 -41.914 0.699 -25.400
412 2HZ LYS 50 2HZ LYS 50 -40.276 0.322 -25.209
413 3HZ LYS 50 3HZ LYS 50 -41.040 0.045 -26.692
414 H ARG 51 H ARG 51 -39.041 -1.301 -29.321
415 HA ARG 51 HA ARG 51 -39.841 0.791 -31.163
416 1HB ARG 51 2HB ARG 51 -38.027 -0.665 -32.265
417 2HB ARG 51 3HB ARG 51 -39.248 -1.930 -32.303
418 1HG ARG 51 2HG ARG 51 -40.616 -0.716 -33.774
419 2HG ARG 51 3HG ARG 51 -39.732 0.784 -33.487
420 1HD ARG 51 2HD ARG 51 -37.900 0.085 -34.754
421 2HD ARG 51 3HD ARG 51 -38.375 -1.611 -34.672
422 HE ARG 51 HE ARG 51 -39.636 -1.284 -36.541
423 1HH1 ARG 51 2HH1 ARG 51 -39.068 1.803 -35.035
424 2HH1 ARG 51 1HH1 ARG 51 -39.823 2.708 -36.304
425 1HH2 ARG 51 2HH2 ARG 51 -40.633 -0.103 -38.219
426 2HH2 ARG 51 1HH2 ARG 51 -40.714 1.622 -38.115
427 H PHE 52 H PHE 52 -41.909 0.377 -32.160
428 HA PHE 52 HA PHE 52 -43.726 -0.908 -30.393
429 1HB PHE 52 2HB PHE 52 -44.057 0.338 -33.119
430 2HB PHE 52 3HB PHE 52 -45.402 -0.374 -32.235
431 HD1 PHE 52 1HD PHE 52 -43.157 2.455 -32.520
432 HD2 PHE 52 2HD PHE 52 -46.158 0.628 -30.117
433 HE1 PHE 52 1HE PHE 52 -43.476 4.575 -31.313
434 HE2 PHE 52 2HE PHE 52 -46.482 2.745 -28.907
435 HZ PHE 52 HZ PHE 52 -45.142 4.722 -29.505
436 H GLY 53 H GLY 53 -43.328 -1.507 -33.888
437 1HA GLY 53 2HA GLY 53 -42.954 -3.582 -34.927
438 2HA GLY 53 3HA GLY 53 -43.238 -4.380 -33.388
439 H LEU 54 H LEU 54 -45.509 -4.362 -32.593
440 HA LEU 54 HA LEU 54 -47.243 -5.307 -34.643
441 1HB LEU 54 2HB LEU 54 -47.408 -4.938 -31.699
442 2HB LEU 54 3HB LEU 54 -48.914 -5.125 -32.595
443 HG LEU 54 HG LEU 54 -48.199 -7.249 -31.671
444 1HD1 LEU 54 1HD1 LEU 54 -49.312 -7.100 -33.923
445 2HD1 LEU 54 2HD1 LEU 54 -48.393 -8.574 -33.625
446 3HD1 LEU 54 3HD1 LEU 54 -47.712 -7.303 -34.639
447 1HD2 LEU 54 1HD2 LEU 54 -46.128 -8.316 -32.396
448 2HD2 LEU 54 2HD2 LEU 54 -45.801 -6.804 -31.547
449 3HD2 LEU 54 3HD2 LEU 54 -45.694 -6.870 -33.308
450 H VAL 55 H VAL 55 -48.922 -4.343 -35.655
451 HA VAL 55 HA VAL 55 -49.789 -1.689 -34.770
452 HB VAL 55 HB VAL 55 -49.047 -2.254 -37.642
453 1HG1 VAL 55 1HG1 VAL 55 -49.153 0.453 -37.322
454 2HG1 VAL 55 2HG1 VAL 55 -50.461 -0.543 -37.964
455 3HG1 VAL 55 3HG1 VAL 55 -50.451 -0.089 -36.259
456 1HG2 VAL 55 1HG2 VAL 55 -47.011 -2.174 -36.399
457 2HG2 VAL 55 2HG2 VAL 55 -47.194 -0.623 -37.219
458 3HG2 VAL 55 3HG2 VAL 55 -47.551 -0.757 -35.497
459 HA PRO 56 HA PRO 56 -53.289 -4.495 -35.980
460 1HB PRO 56 2HB PRO 56 -54.780 -3.970 -33.774
461 2HB PRO 56 3HB PRO 56 -53.544 -5.232 -33.819
462 1HG PRO 56 2HG PRO 56 -53.377 -2.455 -32.713
463 2HG PRO 56 3HG PRO 56 -52.772 -3.973 -32.023
464 1HD PRO 56 2HD PRO 56 -51.164 -2.218 -33.315
465 2HD PRO 56 3HD PRO 56 -50.886 -3.970 -33.349
466 H GLY 57 H GLY 57 -55.301 -3.887 -36.784
467 1HA GLY 57 2HA GLY 57 -56.972 -1.888 -36.417
468 2HA GLY 57 3HA GLY 57 -55.637 -1.002 -37.138
469 H GLN 58 H GLN 58 -58.152 -3.360 -37.683
470 HA GLN 58 HA GLN 58 -57.496 -3.770 -40.450
471 1HB GLN 58 2HB GLN 58 -59.395 -4.839 -38.528
472 2HB GLN 58 3HB GLN 58 -60.145 -4.547 -40.091
473 1HG GLN 58 2HG GLN 58 -59.312 -6.816 -39.940
474 2HG GLN 58 3HG GLN 58 -58.440 -5.909 -41.175
475 1HE2 GLN 58 1HE2 GLN 58 -56.294 -5.835 -41.077
476 2HE2 GLN 58 2HE2 GLN 58 -55.334 -6.403 -39.758
Start of MODEL 17
1 1H HIS 2 H HIS 2 10.558 21.123 25.358
2 HA HIS 2 HA HIS 2 13.046 21.615 23.865
3 1HB HIS 2 2HB HIS 2 12.625 21.529 26.844
4 2HB HIS 2 3HB HIS 2 14.199 21.179 26.134
5 HD1 HIS 2 1HD HIS 2 14.613 23.295 24.113
6 HD2 HIS 2 2HD HIS 2 12.724 24.071 27.731
7 HE1 HIS 2 1HE HIS 2 14.859 25.770 24.483
8 H LEU 3 H LEU 3 11.038 19.504 23.612
9 HA LEU 3 HA LEU 3 12.295 17.140 24.734
10 1HB LEU 3 2HB LEU 3 9.979 17.286 22.815
11 2HB LEU 3 3HB LEU 3 10.450 15.919 23.823
12 HG LEU 3 HG LEU 3 9.327 18.541 24.810
13 1HD1 LEU 3 1HD1 LEU 3 7.520 17.433 23.873
14 2HD1 LEU 3 2HD1 LEU 3 7.476 16.903 25.554
15 3HD1 LEU 3 3HD1 LEU 3 8.138 15.841 24.312
16 1HD2 LEU 3 1HD2 LEU 3 9.878 16.026 26.371
17 2HD2 LEU 3 2HD2 LEU 3 9.349 17.590 26.991
18 3HD2 LEU 3 3HD2 LEU 3 10.973 17.408 26.326
19 H MET 4 H MET 4 13.630 15.794 23.685
20 HA MET 4 HA MET 4 14.132 16.328 20.832
21 1HB MET 4 2HB MET 4 15.925 15.723 23.118
22 2HB MET 4 3HB MET 4 16.349 15.001 21.571
23 1HG MET 4 2HG MET 4 16.235 17.281 20.564
24 2HG MET 4 3HG MET 4 16.029 17.924 22.192
25 1HE MET 4 1HE MET 4 17.418 18.221 23.779
26 2HE MET 4 2HE MET 4 19.043 17.581 24.027
27 3HE MET 4 3HE MET 4 18.811 19.063 23.098
28 H TYR 5 H TYR 5 12.173 14.468 22.162
29 HA TYR 5 HA TYR 5 12.575 12.252 20.407
30 1HB TYR 5 2HB TYR 5 12.728 10.494 22.095
31 2HB TYR 5 3HB TYR 5 14.094 11.595 22.234
32 HD1 TYR 5 1HD TYR 5 13.885 13.474 24.007
33 HD2 TYR 5 2HD TYR 5 11.453 9.984 23.972
34 HE1 TYR 5 1HE TYR 5 13.370 13.818 26.386
35 HE2 TYR 5 2HE TYR 5 10.929 10.319 26.353
36 HH TYR 5 HH TYR 5 12.614 12.586 28.303
37 H THR 6 H THR 6 10.643 11.526 19.798
38 HA THR 6 HA THR 6 8.273 12.533 21.094
39 HB THR 6 HB THR 6 7.096 11.177 19.279
40 HG1 THR 6 1HG THR 6 8.292 10.018 17.964
41 1HG2 THR 6 1HG2 THR 6 8.900 12.946 17.796
42 2HG2 THR 6 2HG2 THR 6 8.212 13.676 19.246
43 3HG2 THR 6 3HG2 THR 6 7.150 13.024 17.999
44 H LEU 7 H LEU 7 6.703 11.371 22.157
45 HA LEU 7 HA LEU 7 7.523 8.705 23.075
46 1HB LEU 7 2HB LEU 7 5.578 10.688 24.242
47 2HB LEU 7 3HB LEU 7 5.891 9.085 24.905
48 HG LEU 7 HG LEU 7 7.804 11.411 24.771
49 1HD1 LEU 7 1HD1 LEU 7 6.328 11.700 26.583
50 2HD1 LEU 7 2HD1 LEU 7 7.794 11.002 27.270
51 3HD1 LEU 7 3HD1 LEU 7 6.378 9.986 27.000
52 1HD2 LEU 7 1HD2 LEU 7 8.947 9.416 26.310
53 2HD2 LEU 7 2HD2 LEU 7 9.438 9.901 24.687
54 3HD2 LEU 7 3HD2 LEU 7 8.312 8.560 24.903
55 H GLY 8 H GLY 8 6.132 6.952 22.998
56 1HA GLY 8 2HA GLY 8 4.053 7.146 20.968
57 2HA GLY 8 3HA GLY 8 4.700 5.666 21.660
58 HA PRO 9 HA PRO 9 0.468 6.374 23.421
59 1HB PRO 9 2HB PRO 9 -0.376 3.823 23.036
60 2HB PRO 9 3HB PRO 9 -0.509 5.076 21.795
61 1HG PRO 9 2HG PRO 9 1.546 2.921 22.098
62 2HG PRO 9 3HG PRO 9 0.722 3.484 20.632
63 1HD PRO 9 2HD PRO 9 3.239 4.250 21.274
64 2HD PRO 9 3HD PRO 9 2.112 5.307 20.399
65 H ASP 10 H ASP 10 2.907 3.886 23.878
66 HA ASP 10 HA ASP 10 1.955 3.482 26.634
67 1HB ASP 10 2HB ASP 10 2.146 1.481 25.075
68 2HB ASP 10 3HB ASP 10 3.891 1.715 25.137
69 H GLY 11 H GLY 11 3.675 5.685 25.527
70 1HA GLY 11 2HA GLY 11 5.333 6.966 26.519
71 2HA GLY 11 3HA GLY 11 5.611 5.662 27.663
72 H LYS 12 H LYS 12 5.628 4.827 24.333
73 HA LYS 12 HA LYS 12 8.298 3.889 24.441
74 1HB LYS 12 2HB LYS 12 6.358 4.267 22.163
75 2HB LYS 12 3HB LYS 12 7.970 3.602 21.931
76 1HG LYS 12 2HG LYS 12 7.274 1.917 23.769
77 2HG LYS 12 3HG LYS 12 5.632 2.428 23.371
78 1HD LYS 12 2HD LYS 12 6.033 0.544 22.020
79 2HD LYS 12 3HD LYS 12 6.235 1.932 20.947
80 1HE LYS 12 2HE LYS 12 8.104 0.733 20.402
81 2HE LYS 12 3HE LYS 12 8.749 1.723 21.711
82 1HZ LYS 12 1HZ LYS 12 9.020 -0.907 21.620
83 2HZ LYS 12 2HZ LYS 12 7.563 -0.822 22.476
84 3HZ LYS 12 3HZ LYS 12 8.942 -0.046 23.074
85 H ARG 13 H ARG 13 9.966 5.248 24.604
86 HA ARG 13 HA ARG 13 9.949 7.896 23.553
87 1HB ARG 13 2HB ARG 13 12.386 6.342 24.413
88 2HB ARG 13 3HB ARG 13 12.165 8.086 24.408
89 1HG ARG 13 2HG ARG 13 10.492 7.876 26.182
90 2HG ARG 13 3HG ARG 13 10.736 6.129 26.194
91 1HD ARG 13 2HD ARG 13 13.237 6.768 26.568
92 2HD ARG 13 3HD ARG 13 12.566 8.308 27.100
93 HE ARG 13 HE ARG 13 12.445 5.787 28.485
94 1HH1 ARG 13 2HH1 ARG 13 11.004 8.933 28.106
95 2HH1 ARG 13 1HH1 ARG 13 10.293 8.942 29.686
96 1HH2 ARG 13 2HH2 ARG 13 11.514 5.786 30.567
97 2HH2 ARG 13 1HH2 ARG 13 10.584 7.151 31.086
98 H ILE 14 H ILE 14 11.019 8.747 21.789
99 HA ILE 14 HA ILE 14 12.448 6.940 20.000
100 HB ILE 14 HB ILE 14 10.056 8.550 19.099
101 1HG1 ILE 14 2HG1 ILE 14 10.505 5.558 19.127
102 2HG1 ILE 14 3HG1 ILE 14 9.509 6.436 20.281
103 1HG2 ILE 14 1HG2 ILE 14 12.367 7.641 17.676
104 2HG2 ILE 14 2HG2 ILE 14 10.935 6.800 17.083
105 3HG2 ILE 14 3HG2 ILE 14 10.985 8.563 17.084
106 1HD1 ILE 14 1HD1 ILE 14 8.948 5.649 17.509
107 2HD1 ILE 14 2HD1 ILE 14 7.861 5.844 18.883
108 3HD1 ILE 14 3HD1 ILE 14 8.398 7.257 17.976
109 H TYR 15 H TYR 15 14.331 7.962 19.800
110 HA TYR 15 HA TYR 15 14.862 10.640 20.207
111 1HB TYR 15 2HB TYR 15 16.358 8.872 18.267
112 2HB TYR 15 3HB TYR 15 16.985 10.269 19.133
113 HD1 TYR 15 1HD TYR 15 16.242 9.901 21.860
114 HD2 TYR 15 2HD TYR 15 17.391 6.952 19.016
115 HE1 TYR 15 1HE TYR 15 16.989 8.437 23.690
116 HE2 TYR 15 2HE TYR 15 18.140 5.480 20.839
117 HH TYR 15 HH TYR 15 18.969 5.881 23.306
118 H THR 16 H THR 16 14.129 12.370 19.189
119 HA THR 16 HA THR 16 13.995 12.355 16.261
120 HB THR 16 HB THR 16 11.704 11.912 17.164
121 HG1 THR 16 1HG THR 16 10.929 13.080 15.552
122 1HG2 THR 16 1HG2 THR 16 10.673 13.248 18.664
123 2HG2 THR 16 2HG2 THR 16 11.364 14.719 17.980
124 3HG2 THR 16 3HG2 THR 16 12.316 13.728 19.085
125 H LEU 17 H LEU 17 15.748 13.547 18.391
126 HA LEU 17 HA LEU 17 15.370 16.256 18.750
127 1HB LEU 17 2HB LEU 17 17.705 16.431 19.154
128 2HB LEU 17 3HB LEU 17 17.172 14.862 19.752
129 HG LEU 17 HG LEU 17 18.011 14.097 17.344
130 1HD1 LEU 17 1HD1 LEU 17 20.169 16.036 17.848
131 2HD1 LEU 17 2HD1 LEU 17 18.686 16.698 17.162
132 3HD1 LEU 17 3HD1 LEU 17 19.540 15.401 16.327
133 1HD2 LEU 17 1HD2 LEU 17 19.772 14.597 19.742
134 2HD2 LEU 17 2HD2 LEU 17 20.158 13.517 18.402
135 3HD2 LEU 17 3HD2 LEU 17 18.779 13.170 19.445
136 H LYS 18 H LYS 18 16.463 14.538 15.908
137 HA LYS 18 HA LYS 18 17.601 16.584 14.430
138 1HB LYS 18 2HB LYS 18 16.797 15.292 12.419
139 2HB LYS 18 3HB LYS 18 17.720 14.360 13.591
140 1HG LYS 18 2HG LYS 18 14.836 14.320 14.059
141 2HG LYS 18 3HG LYS 18 15.329 13.621 12.515
142 1HD LYS 18 2HD LYS 18 17.164 12.508 14.143
143 2HD LYS 18 3HD LYS 18 15.817 12.680 15.270
144 1HE LYS 18 2HE LYS 18 15.451 10.582 14.358
145 2HE LYS 18 3HE LYS 18 14.414 11.613 13.375
146 1HZ LYS 18 1HZ LYS 18 16.450 9.927 12.513
147 2HZ LYS 18 2HZ LYS 18 16.979 11.506 12.223
148 3HZ LYS 18 3HZ LYS 18 15.508 10.975 11.577
149 H LYS 19 H LYS 19 14.247 15.951 15.139
150 HA LYS 19 HA LYS 19 12.955 17.400 13.172
151 1HB LYS 19 2HB LYS 19 11.957 16.016 15.084
152 2HB LYS 19 3HB LYS 19 12.107 17.470 16.063
153 1HG LYS 19 2HG LYS 19 10.614 18.667 14.623
154 2HG LYS 19 3HG LYS 19 10.574 17.327 13.476
155 1HD LYS 19 2HD LYS 19 9.726 15.963 15.532
156 2HD LYS 19 3HD LYS 19 9.315 17.552 16.179
157 1HE LYS 19 2HE LYS 19 8.123 17.955 13.960
158 2HE LYS 19 3HE LYS 19 8.288 16.221 13.689
159 1HZ LYS 19 1HZ LYS 19 6.337 16.137 14.756
160 2HZ LYS 19 2HZ LYS 19 6.531 17.649 15.487
161 3HZ LYS 19 3HZ LYS 19 7.267 16.283 16.161
162 H VAL 20 H VAL 20 13.206 19.428 12.533
163 HA VAL 20 HA VAL 20 13.622 21.515 14.557
164 HB VAL 20 HB VAL 20 15.141 21.372 11.949
165 1HG1 VAL 20 1HG1 VAL 20 15.378 23.316 14.244
166 2HG1 VAL 20 2HG1 VAL 20 16.331 23.324 12.757
167 3HG1 VAL 20 3HG1 VAL 20 14.599 23.653 12.698
168 1HG2 VAL 20 1HG2 VAL 20 16.590 20.067 13.015
169 2HG2 VAL 20 2HG2 VAL 20 16.911 21.404 14.119
170 3HG2 VAL 20 3HG2 VAL 20 15.681 20.205 14.521
171 H THR 21 H THR 21 12.557 23.403 14.191
172 HA THR 21 HA THR 21 10.755 23.447 11.874
173 HB THR 21 HB THR 21 9.564 23.594 13.952
174 HG1 THR 21 1HG THR 21 8.745 24.963 12.350
175 1HG2 THR 21 1HG2 THR 21 11.792 25.316 14.703
176 2HG2 THR 21 2HG2 THR 21 10.691 24.386 15.720
177 3HG2 THR 21 3HG2 THR 21 10.225 25.989 15.149
178 H GLU 22 H GLU 22 13.407 25.108 13.347
179 HA GLU 22 HA GLU 22 14.572 26.991 12.804
180 1HB GLU 22 2HB GLU 22 13.560 26.544 10.000
181 2HB GLU 22 3HB GLU 22 15.079 27.277 10.497
182 1HG GLU 22 2HG GLU 22 15.824 25.107 11.368
183 2HG GLU 22 3HG GLU 22 14.315 24.382 10.814
184 H SER 23 H SER 23 12.692 28.027 14.046
185 HA SER 23 HA SER 23 11.029 29.734 12.353
186 1HB SER 23 2HB SER 23 10.995 29.074 15.295
187 2HB SER 23 3HB SER 23 10.034 30.393 14.626
188 HG SER 23 HG SER 23 8.814 28.495 14.682
189 H GLY 24 H GLY 24 13.972 30.086 12.733
190 1HA GLY 24 2HA GLY 24 14.572 32.566 12.412
191 2HA GLY 24 3HA GLY 24 14.001 32.711 14.066
192 H GLU 25 H GLU 25 15.780 33.137 15.223
193 HA GLU 25 HA GLU 25 17.775 31.074 15.480
194 1HB GLU 25 2HB GLU 25 18.440 32.663 13.527
195 2HB GLU 25 3HB GLU 25 18.833 33.800 14.810
196 1HG GLU 25 2HG GLU 25 20.518 32.416 15.673
197 2HG GLU 25 3HG GLU 25 19.952 31.019 14.758
198 H ILE 26 H ILE 26 18.174 30.894 17.576
199 HA ILE 26 HA ILE 26 18.171 33.323 19.237
200 HB ILE 26 HB ILE 26 16.049 32.128 19.585
201 1HG1 ILE 26 2HG1 ILE 26 17.890 31.834 21.966
202 2HG1 ILE 26 3HG1 ILE 26 17.194 33.363 21.438
203 1HG2 ILE 26 1HG2 ILE 26 17.128 29.867 21.031
204 2HG2 ILE 26 2HG2 ILE 26 15.897 29.915 19.772
205 3HG2 ILE 26 3HG2 ILE 26 17.603 29.846 19.333
206 1HD1 ILE 26 1HD1 ILE 26 15.424 32.949 22.688
207 2HD1 ILE 26 2HD1 ILE 26 15.066 31.537 21.693
208 3HD1 ILE 26 3HD1 ILE 26 16.075 31.369 23.129
209 H THR 27 H THR 27 19.663 33.394 20.879
210 HA THR 27 HA THR 27 21.195 31.095 21.657
211 HB THR 27 HB THR 27 22.314 31.606 19.536
212 HG1 THR 27 1HG THR 27 24.137 31.144 20.503
213 1HG2 THR 27 1HG2 THR 27 21.728 34.169 19.905
214 2HG2 THR 27 2HG2 THR 27 23.105 33.665 18.927
215 3HG2 THR 27 3HG2 THR 27 23.351 34.185 20.594
216 H LYS 28 H LYS 28 22.964 31.718 23.206
217 HA LYS 28 HA LYS 28 22.369 34.256 24.571
218 1HB LYS 28 2HB LYS 28 21.239 32.487 25.799
219 2HB LYS 28 3HB LYS 28 22.723 31.544 25.862
220 1HG LYS 28 2HG LYS 28 23.763 33.267 27.247
221 2HG LYS 28 3HG LYS 28 22.274 34.213 27.184
222 1HD LYS 28 2HD LYS 28 22.307 31.387 28.199
223 2HD LYS 28 3HD LYS 28 22.677 32.754 29.253
224 1HE LYS 28 2HE LYS 28 20.206 32.859 27.596
225 2HE LYS 28 3HE LYS 28 20.220 31.813 29.015
226 1HZ LYS 28 1HZ LYS 28 19.628 33.661 30.093
227 2HZ LYS 28 2HZ LYS 28 20.141 34.690 28.853
228 3HZ LYS 28 3HZ LYS 28 21.258 34.101 29.979
229 H SER 29 H SER 29 24.147 35.451 24.526
230 HA SER 29 HA SER 29 26.709 34.202 25.207
231 1HB SER 29 2HB SER 29 26.519 34.409 22.709
232 2HB SER 29 3HB SER 29 26.408 36.157 22.917
233 HG SER 29 HG SER 29 28.582 34.939 22.586
234 H ALA 30 H ALA 30 28.396 35.881 25.701
235 HA ALA 30 HA ALA 30 27.208 38.347 26.776
236 1HB ALA 30 1HB ALA 30 27.582 37.711 28.866
237 2HB ALA 30 2HB ALA 30 28.234 36.173 28.297
238 3HB ALA 30 3HB ALA 30 29.303 37.559 28.508
239 H HIS 31 H HIS 31 29.063 39.860 27.542
240 HA HIS 31 HA HIS 31 31.594 39.661 26.280
241 1HB HIS 31 2HB HIS 31 30.136 40.111 24.293
242 2HB HIS 31 3HB HIS 31 29.694 41.650 25.026
243 HD1 HIS 31 1HD HIS 31 30.780 43.186 23.349
244 HD2 HIS 31 2HD HIS 31 33.402 40.341 24.864
245 HE1 HIS 31 1HE HIS 31 33.057 43.865 22.526
246 HA PRO 32 HA PRO 32 31.112 42.669 29.795
247 1HB PRO 32 2HB PRO 32 33.101 41.597 31.299
248 2HB PRO 32 3HB PRO 32 31.430 41.021 31.363
249 1HG PRO 32 2HG PRO 32 33.772 39.885 29.884
250 2HG PRO 32 3HG PRO 32 32.522 39.042 30.818
251 1HD PRO 32 2HD PRO 32 32.472 39.187 28.115
252 2HD PRO 32 3HD PRO 32 30.994 39.138 29.096
253 H ALA 33 H ALA 33 32.931 43.990 30.813
254 HA ALA 33 HA ALA 33 35.067 44.448 28.833
255 1HB ALA 33 1HB ALA 33 33.698 46.577 30.469
256 2HB ALA 33 2HB ALA 33 34.902 46.814 29.202
257 3HB ALA 33 3HB ALA 33 33.302 46.194 28.793
258 H ARG 34 H ARG 34 36.917 43.785 29.714
259 HA ARG 34 HA ARG 34 37.444 43.399 32.410
260 1HB ARG 34 2HB ARG 34 38.762 42.726 30.218
261 2HB ARG 34 3HB ARG 34 39.680 44.178 30.592
262 1HG ARG 34 2HG ARG 34 39.238 42.187 32.754
263 2HG ARG 34 3HG ARG 34 40.413 41.823 31.489
264 1HD ARG 34 2HD ARG 34 41.273 44.235 31.998
265 2HD ARG 34 3HD ARG 34 40.430 44.005 33.529
266 HE ARG 34 HE ARG 34 42.873 42.741 32.686
267 1HH1 ARG 34 2HH1 ARG 34 40.105 42.524 34.786
268 2HH1 ARG 34 1HH1 ARG 34 40.894 41.496 35.937
269 1HH2 ARG 34 2HH2 ARG 34 43.924 41.390 34.193
270 2HH2 ARG 34 1HH2 ARG 34 43.067 40.853 35.598
271 H PHE 35 H PHE 35 37.595 44.797 34.022
272 HA PHE 35 HA PHE 35 38.530 47.529 33.436
273 1HB PHE 35 2HB PHE 35 37.274 48.052 35.640
274 2HB PHE 35 3HB PHE 35 36.329 47.789 34.178
275 HD1 PHE 35 1HD PHE 35 34.420 46.571 34.475
276 HD2 PHE 35 2HD PHE 35 37.821 45.676 36.874
277 HE1 PHE 35 1HE PHE 35 33.145 44.803 35.618
278 HE2 PHE 35 2HE PHE 35 36.551 43.907 38.019
279 HZ PHE 35 HZ PHE 35 34.211 43.467 37.390
280 H SER 36 H SER 36 39.401 48.611 35.525
281 HA SER 36 HA SER 36 41.808 47.462 36.208
282 1HB SER 36 2HB SER 36 41.717 49.034 38.228
283 2HB SER 36 3HB SER 36 41.545 49.776 36.637
284 HG SER 36 HG SER 36 39.897 49.979 38.655
285 HA PRO 37 HA PRO 37 40.259 44.155 38.828
286 1HB PRO 37 2HB PRO 37 42.649 42.882 39.022
287 2HB PRO 37 3HB PRO 37 41.593 42.735 37.611
288 1HG PRO 37 2HG PRO 37 44.009 44.461 37.998
289 2HG PRO 37 3HG PRO 37 43.536 43.499 36.585
290 1HD PRO 37 2HD PRO 37 43.139 46.174 36.724
291 2HD PRO 37 3HD PRO 37 42.043 45.090 35.843
292 H ASP 38 H ASP 38 43.258 45.972 39.375
293 HA ASP 38 HA ASP 38 43.532 45.311 42.109
294 1HB ASP 38 2HB ASP 38 44.597 47.600 40.456
295 2HB ASP 38 3HB ASP 38 44.997 47.390 42.158
296 H ASP 39 H ASP 39 42.316 45.904 43.766
297 HA ASP 39 HA ASP 39 40.376 48.034 43.469
298 1HB ASP 39 2HB ASP 39 40.920 45.985 45.609
299 2HB ASP 39 3HB ASP 39 39.778 47.302 45.862
300 H LYS 40 H LYS 40 43.485 47.569 44.872
301 HA LYS 40 HA LYS 40 43.302 49.758 46.733
302 1HB LYS 40 2HB LYS 40 44.890 47.601 46.658
303 2HB LYS 40 3HB LYS 40 45.950 48.743 45.841
304 1HG LYS 40 2HG LYS 40 46.597 48.989 48.027
305 2HG LYS 40 3HG LYS 40 45.408 50.283 47.866
306 1HD LYS 40 2HD LYS 40 44.878 49.221 49.894
307 2HD LYS 40 3HD LYS 40 43.703 48.595 48.734
308 1HE LYS 40 2HE LYS 40 44.503 46.755 50.028
309 2HE LYS 40 3HE LYS 40 45.191 46.617 48.411
310 1HZ LYS 40 1HZ LYS 40 47.246 46.806 49.208
311 2HZ LYS 40 2HZ LYS 40 46.585 46.535 50.741
312 3HZ LYS 40 3HZ LYS 40 46.852 48.117 50.203
313 H TYR 41 H TYR 41 43.451 49.655 43.457
314 HA TYR 41 HA TYR 41 45.422 51.406 42.649
315 1HB TYR 41 2HB TYR 41 44.154 51.769 40.682
316 2HB TYR 41 3HB TYR 41 43.744 50.141 41.209
317 HD1 TYR 41 1HD TYR 41 42.414 53.105 39.985
318 HD2 TYR 41 2HD TYR 41 41.642 50.099 42.895
319 HE1 TYR 41 1HE TYR 41 40.030 53.708 39.965
320 HE2 TYR 41 2HE TYR 41 39.255 50.693 42.883
321 HH TYR 41 HH TYR 41 37.778 52.367 42.271
322 H SER 42 H SER 42 42.424 52.081 44.305
323 HA SER 42 HA SER 42 42.819 54.964 44.018
324 1HB SER 42 2HB SER 42 40.537 53.623 43.851
325 2HB SER 42 3HB SER 42 40.563 53.812 45.603
326 HG SER 42 HG SER 42 40.851 56.098 45.203
327 H ARG 43 H ARG 43 44.725 53.519 45.550
328 HA ARG 43 HA ARG 43 44.171 53.708 48.332
329 1HB ARG 43 2HB ARG 43 46.580 53.332 48.628
330 2HB ARG 43 3HB ARG 43 45.887 52.198 47.475
331 1HG ARG 43 2HG ARG 43 46.714 53.709 45.648
332 2HG ARG 43 3HG ARG 43 47.589 54.605 46.891
333 1HD ARG 43 2HD ARG 43 47.897 51.637 46.536
334 2HD ARG 43 3HD ARG 43 48.869 52.794 45.628
335 HE ARG 43 HE ARG 43 49.041 53.441 48.343
336 1HH1 ARG 43 2HH1 ARG 43 49.997 50.905 46.157
337 2HH1 ARG 43 1HH1 ARG 43 51.391 50.455 47.083
338 1HH2 ARG 43 2HH2 ARG 43 50.874 52.857 49.570
339 2HH2 ARG 43 1HH2 ARG 43 51.887 51.565 49.024
340 H GLN 44 H GLN 44 45.255 55.952 45.935
341 HA GLN 44 HA GLN 44 46.630 57.819 47.458
342 1HB GLN 44 2HB GLN 44 46.085 57.716 44.892
343 2HB GLN 44 3HB GLN 44 44.720 58.730 45.342
344 1HG GLN 44 2HG GLN 44 46.347 60.257 44.736
345 2HG GLN 44 3HG GLN 44 46.466 60.215 46.494
346 1HE2 GLN 44 1HE2 GLN 44 48.192 60.167 43.695
347 2HE2 GLN 44 2HE2 GLN 44 49.659 59.461 44.273
348 H ARG 45 H ARG 45 43.244 57.087 47.367
349 HA ARG 45 HA ARG 45 42.085 59.417 48.282
350 1HB ARG 45 2HB ARG 45 40.264 58.096 49.042
351 2HB ARG 45 3HB ARG 45 40.925 57.264 47.642
352 1HG ARG 45 2HG ARG 45 42.073 55.690 49.080
353 2HG ARG 45 3HG ARG 45 41.500 56.552 50.510
354 1HD ARG 45 2HD ARG 45 40.180 54.521 49.995
355 2HD ARG 45 3HD ARG 45 39.219 55.998 49.993
356 HE ARG 45 HE ARG 45 40.071 55.524 47.379
357 1HH1 ARG 45 2HH1 ARG 45 38.001 54.078 49.776
358 2HH1 ARG 45 1HH1 ARG 45 36.938 53.358 48.613
359 1HH2 ARG 45 2HH2 ARG 45 38.678 54.581 45.838
360 2HH2 ARG 45 1HH2 ARG 45 37.325 53.644 46.373
361 H VAL 46 H VAL 46 44.009 57.077 50.025
362 HA VAL 46 HA VAL 46 43.386 57.650 52.651
363 HB VAL 46 HB VAL 46 46.127 57.060 51.523
364 1HG1 VAL 46 1HG1 VAL 46 46.274 57.973 53.770
365 2HG1 VAL 46 2HG1 VAL 46 45.075 56.811 54.340
366 3HG1 VAL 46 3HG1 VAL 46 46.651 56.251 53.782
367 1HG2 VAL 46 1HG2 VAL 46 45.668 54.772 51.862
368 2HG2 VAL 46 2HG2 VAL 46 44.202 55.119 52.779
369 3HG2 VAL 46 3HG2 VAL 46 44.249 55.423 51.042
370 H THR 47 H THR 47 45.549 59.391 50.464
371 HA THR 47 HA THR 47 46.679 61.171 52.287
372 HB THR 47 HB THR 47 47.279 62.550 50.440
373 HG1 THR 47 1HG THR 47 44.973 61.445 49.292
374 1HG2 THR 47 1HG2 THR 47 48.632 61.024 49.520
375 2HG2 THR 47 2HG2 THR 47 47.278 60.149 48.804
376 3HG2 THR 47 3HG2 THR 47 47.760 59.821 50.468
377 H LEU 48 H LEU 48 46.242 63.502 52.502
378 HA LEU 48 HA LEU 48 43.790 64.682 51.825
379 1HB LEU 48 2HB LEU 48 43.309 62.827 53.681
380 2HB LEU 48 3HB LEU 48 43.769 64.157 54.742
381 HG LEU 48 HG LEU 48 41.359 64.045 54.508
382 1HD1 LEU 48 1HD1 LEU 48 42.776 66.268 54.460
383 2HD1 LEU 48 2HD1 LEU 48 41.022 66.291 54.286
384 3HD1 LEU 48 3HD1 LEU 48 42.051 66.420 52.860
385 1HD2 LEU 48 1HD2 LEU 48 40.210 64.144 52.477
386 2HD2 LEU 48 2HD2 LEU 48 41.526 63.011 52.169
387 3HD2 LEU 48 3HD2 LEU 48 41.639 64.673 51.587
388 H LYS 49 H LYS 49 44.290 66.761 51.771
389 HA LYS 49 HA LYS 49 46.586 67.898 52.832
390 1HB LYS 49 2HB LYS 49 44.817 68.763 51.069
391 2HB LYS 49 3HB LYS 49 44.156 69.597 52.469
392 1HG LYS 49 2HG LYS 49 47.068 69.830 51.886
393 2HG LYS 49 3HG LYS 49 45.913 70.758 50.926
394 1HD LYS 49 2HD LYS 49 45.715 70.796 53.906
395 2HD LYS 49 3HD LYS 49 46.947 71.775 53.106
396 1HE LYS 49 2HE LYS 49 45.231 73.281 53.152
397 2HE LYS 49 3HE LYS 49 44.894 72.497 51.609
398 1HZ LYS 49 1HZ LYS 49 43.033 71.549 52.400
399 2HZ LYS 49 2HZ LYS 49 43.086 72.798 53.538
400 3HZ LYS 49 3HZ LYS 49 43.678 71.263 53.937
401 H LYS 50 H LYS 50 47.160 68.253 54.863
402 HA LYS 50 HA LYS 50 45.053 68.795 56.851
403 1HB LYS 50 2HB LYS 50 46.225 66.685 57.259
404 2HB LYS 50 3HB LYS 50 47.769 67.528 57.253
405 1HG LYS 50 2HG LYS 50 47.309 68.610 59.284
406 2HG LYS 50 3HG LYS 50 45.592 68.210 59.203
407 1HD LYS 50 2HD LYS 50 46.669 66.789 60.829
408 2HD LYS 50 3HD LYS 50 46.183 65.817 59.439
409 1HE LYS 50 2HE LYS 50 48.497 66.003 58.567
410 2HE LYS 50 3HE LYS 50 48.950 66.856 60.042
411 1HZ LYS 50 1HZ LYS 50 48.628 64.958 61.325
412 2HZ LYS 50 2HZ LYS 50 49.386 64.366 59.934
413 3HZ LYS 50 3HZ LYS 50 47.717 64.172 60.135
414 H ARG 51 H ARG 51 48.121 69.798 55.531
415 HA ARG 51 HA ARG 51 48.935 71.633 57.465
416 1HB ARG 51 2HB ARG 51 49.335 71.515 54.484
417 2HB ARG 51 3HB ARG 51 50.015 72.817 55.451
418 1HG ARG 51 2HG ARG 51 51.766 71.328 55.332
419 2HG ARG 51 3HG ARG 51 51.022 70.901 56.873
420 1HD ARG 51 2HD ARG 51 49.997 68.987 55.969
421 2HD ARG 51 3HD ARG 51 50.279 69.520 54.312
422 HE ARG 51 HE ARG 51 52.779 69.255 55.279
423 1HH1 ARG 51 2HH1 ARG 51 50.007 67.148 55.291
424 2HH1 ARG 51 1HH1 ARG 51 50.949 65.694 55.260
425 1HH2 ARG 51 2HH2 ARG 51 54.029 67.348 55.238
426 2HH2 ARG 51 1HH2 ARG 51 53.237 65.809 55.232
427 H PHE 52 H PHE 52 48.639 73.857 57.707
428 HA PHE 52 HA PHE 52 46.016 74.795 56.962
429 1HB PHE 52 2HB PHE 52 48.213 76.214 58.483
430 2HB PHE 52 3HB PHE 52 46.533 76.727 58.369
431 HD1 PHE 52 1HD PHE 52 44.759 75.398 59.466
432 HD2 PHE 52 2HD PHE 52 48.892 74.539 60.013
433 HE1 PHE 52 1HE PHE 52 44.215 74.064 61.462
434 HE2 PHE 52 2HE PHE 52 48.355 73.203 62.007
435 HZ PHE 52 HZ PHE 52 46.013 72.963 62.733
436 H GLY 53 H GLY 53 49.345 75.442 56.065
437 1HA GLY 53 2HA GLY 53 50.251 76.658 54.342
438 2HA GLY 53 3HA GLY 53 48.690 76.495 53.553
439 H LEU 54 H LEU 54 49.190 78.087 56.642
440 HA LEU 54 HA LEU 54 48.281 80.593 55.409
441 1HB LEU 54 2HB LEU 54 47.152 79.367 57.447
442 2HB LEU 54 3HB LEU 54 48.411 80.197 58.359
443 HG LEU 54 HG LEU 54 47.462 82.302 57.068
444 1HD1 LEU 54 1HD1 LEU 54 44.874 80.911 57.430
445 2HD1 LEU 54 2HD1 LEU 54 45.800 80.538 55.976
446 3HD1 LEU 54 3HD1 LEU 54 45.325 82.202 56.316
447 1HD2 LEU 54 1HD2 LEU 54 46.602 80.958 59.575
448 2HD2 LEU 54 2HD2 LEU 54 45.690 82.364 59.026
449 3HD2 LEU 54 3HD2 LEU 54 47.421 82.502 59.341
450 H VAL 55 H VAL 55 50.889 79.124 57.172
451 HA VAL 55 HA VAL 55 52.971 79.847 57.745
452 HB VAL 55 HB VAL 55 52.488 82.121 55.821
453 1HG1 VAL 55 1HG1 VAL 55 55.113 80.789 56.327
454 2HG1 VAL 55 2HG1 VAL 55 54.776 82.424 55.757
455 3HG1 VAL 55 3HG1 VAL 55 54.516 82.009 57.451
456 1HG2 VAL 55 1HG2 VAL 55 53.795 80.464 54.276
457 2HG2 VAL 55 2HG2 VAL 55 53.119 79.241 55.353
458 3HG2 VAL 55 3HG2 VAL 55 52.047 80.318 54.457
459 HA PRO 56 HA PRO 56 51.060 83.035 60.563
460 1HB PRO 56 2HB PRO 56 51.540 81.660 62.854
461 2HB PRO 56 3HB PRO 56 50.078 81.432 61.886
462 1HG PRO 56 2HG PRO 56 52.574 79.781 61.963
463 2HG PRO 56 3HG PRO 56 50.882 79.251 61.923
464 1HD PRO 56 2HD PRO 56 52.454 79.274 59.719
465 2HD PRO 56 3HD PRO 56 50.705 79.570 59.648
466 H GLY 57 H GLY 57 54.081 81.384 60.279
467 1HA GLY 57 2HA GLY 57 56.086 82.773 60.313
468 2HA GLY 57 3HA GLY 57 55.392 83.626 61.684
469 H GLN 58 H GLN 58 57.960 82.110 61.287
470 HA GLN 58 HA GLN 58 57.735 79.826 63.030
471 1HB GLN 58 2HB GLN 58 59.634 80.804 61.164
472 2HB GLN 58 3HB GLN 58 60.447 80.688 62.719
473 1HG GLN 58 2HG GLN 58 60.763 78.637 61.549
474 2HG GLN 58 3HG GLN 58 59.663 78.343 62.896
475 1HE2 GLN 58 1HE2 GLN 58 59.909 78.728 59.429
476 2HE2 GLN 58 2HE2 GLN 58 58.414 77.953 59.042
Start of MODEL 18
1 1H HIS 2 H HIS 2 9.612 20.358 26.381
2 HA HIS 2 HA HIS 2 10.293 20.991 23.711
3 1HB HIS 2 2HB HIS 2 11.785 22.437 25.895
4 2HB HIS 2 3HB HIS 2 12.510 22.129 24.320
5 HD1 HIS 2 1HD HIS 2 10.486 24.538 26.090
6 HD2 HIS 2 2HD HIS 2 10.908 23.330 22.137
7 HE1 HIS 2 1HE HIS 2 9.480 26.385 24.712
8 H LEU 3 H LEU 3 10.448 18.743 23.604
9 HA LEU 3 HA LEU 3 12.731 17.559 25.039
10 1HB LEU 3 2HB LEU 3 10.269 16.231 23.917
11 2HB LEU 3 3HB LEU 3 11.622 15.385 24.666
12 HG LEU 3 HG LEU 3 10.332 17.463 26.317
13 1HD1 LEU 3 1HD1 LEU 3 8.250 16.726 26.149
14 2HD1 LEU 3 2HD1 LEU 3 8.787 15.143 26.707
15 3HD1 LEU 3 3HD1 LEU 3 8.742 15.500 24.982
16 1HD2 LEU 3 1HD2 LEU 3 11.117 16.209 28.021
17 2HD2 LEU 3 2HD2 LEU 3 12.178 15.562 26.770
18 3HD2 LEU 3 3HD2 LEU 3 10.717 14.685 27.229
19 H MET 4 H MET 4 13.933 15.886 23.871
20 HA MET 4 HA MET 4 14.139 16.557 21.016
21 1HB MET 4 2HB MET 4 16.125 15.701 23.077
22 2HB MET 4 3HB MET 4 16.429 15.297 21.393
23 1HG MET 4 2HG MET 4 16.452 17.587 20.763
24 2HG MET 4 3HG MET 4 15.859 18.089 22.345
25 1HE MET 4 1HE MET 4 17.205 19.243 23.761
26 2HE MET 4 2HE MET 4 18.967 19.291 23.815
27 3HE MET 4 3HE MET 4 18.110 19.927 22.410
28 H TYR 5 H TYR 5 12.271 14.610 22.283
29 HA TYR 5 HA TYR 5 12.608 12.506 20.382
30 1HB TYR 5 2HB TYR 5 12.886 10.649 21.896
31 2HB TYR 5 3HB TYR 5 14.193 11.795 22.173
32 HD1 TYR 5 1HD TYR 5 11.624 9.882 23.692
33 HD2 TYR 5 2HD TYR 5 13.845 13.486 24.116
34 HE1 TYR 5 1HE TYR 5 11.047 9.950 26.081
35 HE2 TYR 5 2HE TYR 5 13.275 13.563 26.506
36 HH TYR 5 HH TYR 5 12.462 12.320 28.247
37 H THR 6 H THR 6 10.675 11.676 19.860
38 HA THR 6 HA THR 6 8.335 12.678 21.211
39 HB THR 6 HB THR 6 7.120 11.275 19.455
40 HG1 THR 6 1HG THR 6 8.293 10.109 18.126
41 1HG2 THR 6 1HG2 THR 6 7.150 13.502 18.895
42 2HG2 THR 6 2HG2 THR 6 8.098 12.838 17.564
43 3HG2 THR 6 3HG2 THR 6 8.910 13.599 18.932
44 H LEU 7 H LEU 7 6.544 11.263 21.857
45 HA LEU 7 HA LEU 7 7.520 8.721 22.984
46 1HB LEU 7 2HB LEU 7 5.488 10.643 24.107
47 2HB LEU 7 3HB LEU 7 5.859 9.061 24.790
48 HG LEU 7 HG LEU 7 7.672 11.465 24.659
49 1HD1 LEU 7 1HD1 LEU 7 6.626 9.924 27.026
50 2HD1 LEU 7 2HD1 LEU 7 5.915 11.421 26.421
51 3HD1 LEU 7 3HD1 LEU 7 7.563 11.418 27.048
52 1HD2 LEU 7 1HD2 LEU 7 8.890 9.537 26.221
53 2HD2 LEU 7 2HD2 LEU 7 9.369 10.023 24.595
54 3HD2 LEU 7 3HD2 LEU 7 8.301 8.637 24.823
55 H GLY 8 H GLY 8 6.017 6.980 23.120
56 1HA GLY 8 2HA GLY 8 4.024 7.077 20.973
57 2HA GLY 8 3HA GLY 8 4.693 5.621 21.697
58 HA PRO 9 HA PRO 9 0.429 6.256 23.397
59 1HB PRO 9 2HB PRO 9 -0.342 3.674 23.063
60 2HB PRO 9 3HB PRO 9 -0.493 4.894 21.792
61 1HG PRO 9 2HG PRO 9 1.616 2.803 22.171
62 2HG PRO 9 3HG PRO 9 0.796 3.308 20.682
63 1HD PRO 9 2HD PRO 9 3.282 4.157 21.335
64 2HD PRO 9 3HD PRO 9 2.139 5.163 20.422
65 H ASP 10 H ASP 10 2.896 3.803 23.930
66 HA ASP 10 HA ASP 10 1.943 3.477 26.696
67 1HB ASP 10 2HB ASP 10 2.143 1.434 25.188
68 2HB ASP 10 3HB ASP 10 3.888 1.669 25.263
69 H GLY 11 H GLY 11 3.651 5.655 25.540
70 1HA GLY 11 2HA GLY 11 5.301 6.967 26.506
71 2HA GLY 11 3HA GLY 11 5.599 5.682 27.667
72 H LYS 12 H LYS 12 5.599 4.824 24.337
73 HA LYS 12 HA LYS 12 8.272 3.889 24.440
74 1HB LYS 12 2HB LYS 12 6.280 4.224 22.207
75 2HB LYS 12 3HB LYS 12 7.915 3.647 21.904
76 1HG LYS 12 2HG LYS 12 6.154 2.322 23.932
77 2HG LYS 12 3HG LYS 12 6.051 1.920 22.216
78 1HD LYS 12 2HD LYS 12 8.722 1.930 23.543
79 2HD LYS 12 3HD LYS 12 7.631 0.572 23.825
80 1HE LYS 12 2HE LYS 12 7.405 0.480 21.272
81 2HE LYS 12 3HE LYS 12 8.831 1.517 21.241
82 1HZ LYS 12 1HZ LYS 12 10.156 -0.181 21.761
83 2HZ LYS 12 2HZ LYS 12 8.862 -1.186 21.339
84 3HZ LYS 12 3HZ LYS 12 9.116 -0.769 22.960
85 H ARG 13 H ARG 13 9.951 5.233 24.568
86 HA ARG 13 HA ARG 13 9.925 7.884 23.521
87 1HB ARG 13 2HB ARG 13 12.362 6.318 24.365
88 2HB ARG 13 3HB ARG 13 12.158 8.065 24.345
89 1HG ARG 13 2HG ARG 13 10.609 7.963 26.173
90 2HG ARG 13 3HG ARG 13 10.609 6.199 26.127
91 1HD ARG 13 2HD ARG 13 13.204 6.535 26.451
92 2HD ARG 13 3HD ARG 13 12.688 8.080 27.127
93 HE ARG 13 HE ARG 13 12.340 5.469 28.293
94 1HH1 ARG 13 2HH1 ARG 13 11.221 8.765 28.221
95 2HH1 ARG 13 1HH1 ARG 13 10.539 8.705 29.813
96 1HH2 ARG 13 2HH2 ARG 13 11.447 5.378 30.389
97 2HH2 ARG 13 1HH2 ARG 13 10.669 6.778 31.046
98 H ILE 14 H ILE 14 11.001 8.736 21.754
99 HA ILE 14 HA ILE 14 12.384 6.913 19.943
100 HB ILE 14 HB ILE 14 10.020 8.578 19.071
101 1HG1 ILE 14 2HG1 ILE 14 10.398 5.576 19.074
102 2HG1 ILE 14 3HG1 ILE 14 9.442 6.469 20.253
103 1HG2 ILE 14 1HG2 ILE 14 10.432 7.475 16.861
104 2HG2 ILE 14 2HG2 ILE 14 11.664 8.638 17.348
105 3HG2 ILE 14 3HG2 ILE 14 11.974 6.909 17.503
106 1HD1 ILE 14 1HD1 ILE 14 8.153 7.334 18.190
107 2HD1 ILE 14 2HD1 ILE 14 8.884 5.955 17.368
108 3HD1 ILE 14 3HD1 ILE 14 7.853 5.697 18.776
109 H TYR 15 H TYR 15 14.295 7.917 19.829
110 HA TYR 15 HA TYR 15 14.717 10.679 20.107
111 1HB TYR 15 2HB TYR 15 16.527 8.742 18.657
112 2HB TYR 15 3HB TYR 15 16.988 10.250 19.440
113 HD1 TYR 15 1HD TYR 15 16.635 10.399 21.989
114 HD2 TYR 15 2HD TYR 15 16.641 6.732 19.834
115 HE1 TYR 15 1HE TYR 15 17.101 9.182 24.075
116 HE2 TYR 15 2HE TYR 15 17.105 5.503 21.914
117 HH TYR 15 HH TYR 15 16.776 5.853 24.371
118 H THR 16 H THR 16 13.559 11.973 18.765
119 HA THR 16 HA THR 16 14.146 11.737 15.887
120 HB THR 16 HB THR 16 11.789 11.094 16.417
121 HG1 THR 16 1HG THR 16 11.656 11.816 14.431
122 1HG2 THR 16 1HG2 THR 16 11.405 12.595 18.303
123 2HG2 THR 16 2HG2 THR 16 10.211 12.877 17.035
124 3HG2 THR 16 3HG2 THR 16 11.562 13.992 17.239
125 H LEU 17 H LEU 17 15.345 13.348 18.111
126 HA LEU 17 HA LEU 17 14.615 16.007 18.086
127 1HB LEU 17 2HB LEU 17 16.700 16.491 18.981
128 2HB LEU 17 3HB LEU 17 16.431 14.810 19.438
129 HG LEU 17 HG LEU 17 17.810 14.401 17.193
130 1HD1 LEU 17 1HD1 LEU 17 18.473 17.178 18.065
131 2HD1 LEU 17 2HD1 LEU 17 18.281 16.526 16.438
132 3HD1 LEU 17 3HD1 LEU 17 19.727 16.148 17.373
133 1HD2 LEU 17 1HD2 LEU 17 19.343 13.569 18.596
134 2HD2 LEU 17 2HD2 LEU 17 18.248 14.099 19.873
135 3HD2 LEU 17 3HD2 LEU 17 19.601 15.123 19.389
136 H LYS 18 H LYS 18 16.354 14.175 15.671
137 HA LYS 18 HA LYS 18 17.528 16.169 14.167
138 1HB LYS 18 2HB LYS 18 16.414 13.478 13.544
139 2HB LYS 18 3HB LYS 18 16.806 14.532 12.193
140 1HG LYS 18 2HG LYS 18 19.100 14.755 13.078
141 2HG LYS 18 3HG LYS 18 18.688 13.604 14.352
142 1HD LYS 18 2HD LYS 18 18.373 12.953 11.433
143 2HD LYS 18 3HD LYS 18 19.884 12.680 12.302
144 1HE LYS 18 2HE LYS 18 18.806 11.173 13.823
145 2HE LYS 18 3HE LYS 18 17.220 11.563 13.161
146 1HZ LYS 18 1HZ LYS 18 19.084 10.621 11.187
147 2HZ LYS 18 2HZ LYS 18 17.495 10.130 11.493
148 3HZ LYS 18 3HZ LYS 18 18.769 9.480 12.396
149 H LYS 19 H LYS 19 14.161 15.268 14.392
150 HA LYS 19 HA LYS 19 13.134 16.472 12.109
151 1HB LYS 19 2HB LYS 19 12.008 15.091 14.068
152 2HB LYS 19 3HB LYS 19 11.622 16.695 14.675
153 1HG LYS 19 2HG LYS 19 10.952 15.827 11.879
154 2HG LYS 19 3HG LYS 19 9.869 15.561 13.248
155 1HD LYS 19 2HD LYS 19 10.199 18.101 13.673
156 2HD LYS 19 3HD LYS 19 10.743 18.136 11.994
157 1HE LYS 19 2HE LYS 19 8.103 17.001 12.906
158 2HE LYS 19 3HE LYS 19 8.320 18.642 12.298
159 1HZ LYS 19 1HZ LYS 19 9.381 17.398 10.292
160 2HZ LYS 19 2HZ LYS 19 7.700 17.537 10.411
161 3HZ LYS 19 3HZ LYS 19 8.461 16.092 10.850
162 H VAL 20 H VAL 20 13.326 18.491 11.423
163 HA VAL 20 HA VAL 20 13.655 20.644 13.395
164 HB VAL 20 HB VAL 20 15.420 20.384 11.652
165 1HG1 VAL 20 1HG1 VAL 20 14.970 20.975 9.363
166 2HG1 VAL 20 2HG1 VAL 20 13.888 19.663 9.838
167 3HG1 VAL 20 3HG1 VAL 20 13.282 21.317 9.741
168 1HG2 VAL 20 1HG2 VAL 20 14.592 22.599 12.778
169 2HG2 VAL 20 2HG2 VAL 20 15.771 22.650 11.468
170 3HG2 VAL 20 3HG2 VAL 20 14.073 22.996 11.139
171 H THR 21 H THR 21 12.489 22.599 13.174
172 HA THR 21 HA THR 21 9.896 22.250 11.834
173 HB THR 21 HB THR 21 9.885 22.648 14.302
174 HG1 THR 21 1HG THR 21 7.992 23.412 13.770
175 1HG2 THR 21 1HG2 THR 21 10.529 24.706 15.241
176 2HG2 THR 21 2HG2 THR 21 10.656 25.483 13.663
177 3HG2 THR 21 3HG2 THR 21 11.851 24.282 14.155
178 H GLU 22 H GLU 22 8.878 24.503 11.284
179 HA GLU 22 HA GLU 22 10.900 26.038 9.786
180 1HB GLU 22 2HB GLU 22 7.997 25.804 9.015
181 2HB GLU 22 3HB GLU 22 9.337 26.386 8.036
182 1HG GLU 22 2HG GLU 22 10.286 24.087 8.085
183 2HG GLU 22 3HG GLU 22 8.819 23.554 8.904
184 H SER 23 H SER 23 11.187 27.476 11.549
185 HA SER 23 HA SER 23 10.801 29.347 12.786
186 1HB SER 23 2HB SER 23 10.323 30.104 10.342
187 2HB SER 23 3HB SER 23 8.634 30.117 10.849
188 HG SER 23 HG SER 23 9.313 32.119 11.323
189 H GLY 24 H GLY 24 9.154 26.911 13.247
190 1HA GLY 24 2HA GLY 24 7.576 26.331 14.826
191 2HA GLY 24 3HA GLY 24 7.399 28.039 15.202
192 H GLU 25 H GLU 25 5.183 28.077 15.294
193 HA GLU 25 HA GLU 25 3.832 28.036 12.722
194 1HB GLU 25 2HB GLU 25 3.507 25.753 13.441
195 2HB GLU 25 3HB GLU 25 2.983 26.285 15.032
196 1HG GLU 25 2HG GLU 25 0.917 26.938 14.292
197 2HG GLU 25 3HG GLU 25 1.475 27.208 12.642
198 H ILE 26 H ILE 26 3.059 30.046 12.700
199 HA ILE 26 HA ILE 26 2.291 31.450 15.070
200 HB ILE 26 HB ILE 26 1.722 32.215 12.205
201 1HG1 ILE 26 2HG1 ILE 26 4.130 31.793 12.589
202 2HG1 ILE 26 3HG1 ILE 26 3.796 33.493 12.277
203 1HG2 ILE 26 1HG2 ILE 26 0.629 33.912 13.136
204 2HG2 ILE 26 2HG2 ILE 26 1.147 33.434 14.752
205 3HG2 ILE 26 3HG2 ILE 26 2.175 34.477 13.770
206 1HD1 ILE 26 1HD1 ILE 26 3.729 32.863 15.102
207 2HD1 ILE 26 2HD1 ILE 26 5.277 32.472 14.355
208 3HD1 ILE 26 3HD1 ILE 26 4.630 34.108 14.238
209 H THR 27 H THR 27 0.515 30.079 12.315
210 HA THR 27 HA THR 27 -1.928 30.177 13.961
211 HB THR 27 HB THR 27 -3.234 30.412 11.861
212 HG1 THR 27 1HG THR 27 -0.636 30.710 10.732
213 1HG2 THR 27 1HG2 THR 27 -2.332 32.362 13.325
214 2HG2 THR 27 2HG2 THR 27 -3.023 32.725 11.743
215 3HG2 THR 27 3HG2 THR 27 -1.273 32.676 11.950
216 H LYS 28 H LYS 28 -2.954 28.298 14.246
217 HA LYS 28 HA LYS 28 -1.826 25.883 13.211
218 1HB LYS 28 2HB LYS 28 -3.062 26.356 15.481
219 2HB LYS 28 3HB LYS 28 -4.503 25.971 14.549
220 1HG LYS 28 2HG LYS 28 -3.604 23.786 14.010
221 2HG LYS 28 3HG LYS 28 -2.112 24.169 14.871
222 1HD LYS 28 2HD LYS 28 -3.252 24.258 16.963
223 2HD LYS 28 3HD LYS 28 -4.829 24.175 16.174
224 1HE LYS 28 2HE LYS 28 -3.837 21.917 15.227
225 2HE LYS 28 3HE LYS 28 -2.828 22.028 16.667
226 1HZ LYS 28 1HZ LYS 28 -5.675 21.507 16.435
227 2HZ LYS 28 2HZ LYS 28 -5.221 22.525 17.707
228 3HZ LYS 28 3HZ LYS 28 -4.566 20.970 17.594
229 H SER 29 H SER 29 -2.371 24.774 11.447
230 HA SER 29 HA SER 29 -4.534 25.777 9.780
231 1HB SER 29 2HB SER 29 -3.552 24.569 8.000
232 2HB SER 29 3HB SER 29 -2.186 25.175 8.935
233 HG SER 29 HG SER 29 -2.521 22.740 8.259
234 H ALA 30 H ALA 30 -6.179 24.438 8.909
235 HA ALA 30 HA ALA 30 -7.025 22.345 10.761
236 1HB ALA 30 1HB ALA 30 -9.050 22.625 8.929
237 2HB ALA 30 2HB ALA 30 -8.944 23.453 10.482
238 3HB ALA 30 3HB ALA 30 -8.372 24.252 9.018
239 H HIS 31 H HIS 31 -7.849 20.313 9.983
240 HA HIS 31 HA HIS 31 -6.147 19.107 8.052
241 1HB HIS 31 2HB HIS 31 -8.410 18.205 9.768
242 2HB HIS 31 3HB HIS 31 -7.981 17.203 8.385
243 HD1 HIS 31 1HD HIS 31 -7.165 17.707 11.843
244 HD2 HIS 31 2HD HIS 31 -5.076 16.504 8.458
245 HE1 HIS 31 1HE HIS 31 -5.105 16.549 12.701
246 HA PRO 32 HA PRO 32 -8.378 19.498 4.297
247 1HB PRO 32 2HB PRO 32 -8.058 17.053 3.163
248 2HB PRO 32 3HB PRO 32 -6.744 18.227 3.301
249 1HG PRO 32 2HG PRO 32 -7.355 15.856 5.024
250 2HG PRO 32 3HG PRO 32 -5.790 16.418 4.409
251 1HD PRO 32 2HD PRO 32 -6.621 16.906 6.939
252 2HD PRO 32 3HD PRO 32 -5.587 18.034 6.039
253 H ALA 33 H ALA 33 -9.322 17.101 6.583
254 HA ALA 33 HA ALA 33 -12.057 17.211 5.579
255 1HB ALA 33 1HB ALA 33 -10.675 14.580 6.087
256 2HB ALA 33 2HB ALA 33 -12.357 14.809 5.610
257 3HB ALA 33 3HB ALA 33 -11.058 15.237 4.497
258 H ARG 34 H ARG 34 -13.333 17.678 7.235
259 HA ARG 34 HA ARG 34 -12.405 17.465 9.941
260 1HB ARG 34 2HB ARG 34 -13.987 19.243 8.846
261 2HB ARG 34 3HB ARG 34 -15.249 18.076 9.223
262 1HG ARG 34 2HG ARG 34 -14.738 18.189 11.562
263 2HG ARG 34 3HG ARG 34 -13.331 19.206 11.248
264 1HD ARG 34 2HD ARG 34 -15.054 20.796 10.131
265 2HD ARG 34 3HD ARG 34 -16.239 19.886 11.068
266 HE ARG 34 HE ARG 34 -14.241 20.638 12.830
267 1HH1 ARG 34 2HH1 ARG 34 -16.578 22.197 10.774
268 2HH1 ARG 34 1HH1 ARG 34 -16.732 23.593 11.788
269 1HH2 ARG 34 2HH2 ARG 34 -14.434 22.471 14.173
270 2HH2 ARG 34 1HH2 ARG 34 -15.512 23.749 13.720
271 H PHE 35 H PHE 35 -12.159 15.014 9.507
272 HA PHE 35 HA PHE 35 -14.580 13.700 10.534
273 1HB PHE 35 2HB PHE 35 -12.735 12.734 8.351
274 2HB PHE 35 3HB PHE 35 -13.830 11.658 9.213
275 HD1 PHE 35 1HD PHE 35 -15.922 11.288 8.340
276 HD2 PHE 35 2HD PHE 35 -13.870 14.880 7.340
277 HE1 PHE 35 1HE PHE 35 -17.736 11.887 6.790
278 HE2 PHE 35 2HE PHE 35 -15.680 15.486 5.788
279 HZ PHE 35 HZ PHE 35 -17.616 13.990 5.512
280 H SER 36 H SER 36 -14.265 12.621 12.366
281 HA SER 36 HA SER 36 -11.558 12.331 13.383
282 1HB SER 36 2HB SER 36 -14.135 12.737 14.539
283 2HB SER 36 3HB SER 36 -13.477 11.234 15.184
284 HG SER 36 HG SER 36 -12.321 12.466 16.419
285 HA PRO 37 HA PRO 37 -11.062 8.027 12.705
286 1HB PRO 37 2HB PRO 37 -9.880 7.201 15.005
287 2HB PRO 37 3HB PRO 37 -9.045 8.183 13.794
288 1HG PRO 37 2HG PRO 37 -10.345 9.033 16.353
289 2HG PRO 37 3HG PRO 37 -8.794 9.544 15.663
290 1HD PRO 37 2HD PRO 37 -11.038 11.048 15.474
291 2HD PRO 37 3HD PRO 37 -9.787 11.038 14.214
292 H ASP 38 H ASP 38 -12.748 9.018 15.608
293 HA ASP 38 HA ASP 38 -14.495 8.113 16.751
294 1HB ASP 38 2HB ASP 38 -15.367 7.798 14.395
295 2HB ASP 38 3HB ASP 38 -14.763 6.145 14.476
296 H ASP 39 H ASP 39 -11.659 6.873 16.641
297 HA ASP 39 HA ASP 39 -12.105 4.144 17.447
298 1HB ASP 39 2HB ASP 39 -10.057 4.610 16.291
299 2HB ASP 39 3HB ASP 39 -9.645 5.895 17.423
300 H LYS 40 H LYS 40 -11.940 7.221 18.979
301 HA LYS 40 HA LYS 40 -11.176 6.391 21.575
302 1HB LYS 40 2HB LYS 40 -11.479 8.795 20.426
303 2HB LYS 40 3HB LYS 40 -13.016 8.704 21.275
304 1HG LYS 40 2HG LYS 40 -11.500 9.830 22.699
305 2HG LYS 40 3HG LYS 40 -11.725 8.211 23.366
306 1HD LYS 40 2HD LYS 40 -9.613 7.724 21.812
307 2HD LYS 40 3HD LYS 40 -9.335 9.441 22.110
308 1HE LYS 40 2HE LYS 40 -9.713 8.852 24.586
309 2HE LYS 40 3HE LYS 40 -9.471 7.181 24.080
310 1HZ LYS 40 1HZ LYS 40 -7.360 8.273 22.960
311 2HZ LYS 40 2HZ LYS 40 -7.343 7.727 24.560
312 3HZ LYS 40 3HZ LYS 40 -7.551 9.373 24.232
313 H TYR 41 H TYR 41 -14.210 6.401 19.860
314 HA TYR 41 HA TYR 41 -15.991 6.214 22.004
315 1HB TYR 41 2HB TYR 41 -16.053 5.474 19.129
316 2HB TYR 41 3HB TYR 41 -17.272 4.739 20.165
317 HD1 TYR 41 1HD TYR 41 -15.752 8.144 19.810
318 HD2 TYR 41 2HD TYR 41 -19.301 5.816 20.102
319 HE1 TYR 41 1HE TYR 41 -17.102 10.195 19.665
320 HE2 TYR 41 2HE TYR 41 -20.661 7.860 19.957
321 HH TYR 41 HH TYR 41 -19.519 10.758 18.904
322 H SER 42 H SER 42 -13.747 3.930 20.742
323 HA SER 42 HA SER 42 -14.864 1.492 21.390
324 1HB SER 42 2HB SER 42 -12.814 1.367 20.272
325 2HB SER 42 3HB SER 42 -12.030 2.489 21.384
326 HG SER 42 HG SER 42 -11.686 0.031 21.521
327 H ARG 43 H ARG 43 -15.469 0.535 23.215
328 HA ARG 43 HA ARG 43 -15.033 1.881 25.739
329 1HB ARG 43 2HB ARG 43 -16.557 0.178 26.653
330 2HB ARG 43 3HB ARG 43 -17.243 0.982 25.248
331 1HG ARG 43 2HG ARG 43 -16.754 -0.911 23.856
332 2HG ARG 43 3HG ARG 43 -15.885 -1.703 25.172
333 1HD ARG 43 2HD ARG 43 -18.767 -0.914 25.446
334 2HD ARG 43 3HD ARG 43 -18.299 -2.438 24.691
335 HE ARG 43 HE ARG 43 -17.029 -2.141 27.203
336 1HH1 ARG 43 2HH1 ARG 43 -20.110 -2.858 25.751
337 2HH1 ARG 43 1HH1 ARG 43 -20.667 -3.807 27.088
338 1HH2 ARG 43 2HH2 ARG 43 -17.750 -3.390 28.970
339 2HH2 ARG 43 1HH2 ARG 43 -19.324 -4.109 28.920
340 H GLN 44 H GLN 44 -13.140 -0.067 24.004
341 HA GLN 44 HA GLN 44 -12.368 -2.065 25.871
342 1HB GLN 44 2HB GLN 44 -11.924 -2.322 23.489
343 2HB GLN 44 3HB GLN 44 -10.882 -0.906 23.508
344 1HG GLN 44 2HG GLN 44 -9.743 -3.159 23.517
345 2HG GLN 44 3HG GLN 44 -9.222 -2.003 24.741
346 1HE2 GLN 44 1HE2 GLN 44 -11.952 -4.258 24.509
347 2HE2 GLN 44 2HE2 GLN 44 -11.636 -5.061 26.006
348 H ARG 45 H ARG 45 -11.603 1.274 25.491
349 HA ARG 45 HA ARG 45 -9.190 1.127 27.093
350 1HB ARG 45 2HB ARG 45 -9.089 3.554 26.792
351 2HB ARG 45 3HB ARG 45 -9.316 2.737 25.251
352 1HG ARG 45 2HG ARG 45 -10.862 4.354 24.978
353 2HG ARG 45 3HG ARG 45 -11.873 3.207 25.859
354 1HD ARG 45 2HD ARG 45 -12.269 5.091 27.087
355 2HD ARG 45 3HD ARG 45 -10.867 4.462 27.950
356 HE ARG 45 HE ARG 45 -10.100 6.227 25.853
357 1HH1 ARG 45 2HH1 ARG 45 -11.371 6.138 29.093
358 2HH1 ARG 45 1HH1 ARG 45 -10.754 7.700 29.518
359 1HH2 ARG 45 2HH2 ARG 45 -9.281 8.284 26.401
360 2HH2 ARG 45 1HH2 ARG 45 -9.566 8.920 27.986
361 H VAL 46 H VAL 46 -12.535 2.184 27.435
362 HA VAL 46 HA VAL 46 -12.169 3.222 30.086
363 HB VAL 46 HB VAL 46 -13.950 4.026 28.529
364 1HG1 VAL 46 1HG1 VAL 46 -15.961 2.741 28.222
365 2HG1 VAL 46 2HG1 VAL 46 -14.583 1.784 27.677
366 3HG1 VAL 46 3HG1 VAL 46 -15.335 1.442 29.236
367 1HG2 VAL 46 1HG2 VAL 46 -15.143 2.950 31.071
368 2HG2 VAL 46 2HG2 VAL 46 -13.975 4.271 31.058
369 3HG2 VAL 46 3HG2 VAL 46 -15.523 4.455 30.234
370 H THR 47 H THR 47 -13.086 0.163 28.678
371 HA THR 47 HA THR 47 -14.348 -1.080 30.808
372 HB THR 47 HB THR 47 -14.062 -2.043 28.509
373 HG1 THR 47 1HG THR 47 -14.734 -3.299 30.383
374 1HG2 THR 47 1HG2 THR 47 -11.561 -3.388 29.284
375 2HG2 THR 47 2HG2 THR 47 -11.402 -1.674 28.898
376 3HG2 THR 47 3HG2 THR 47 -12.085 -2.786 27.712
377 H LEU 48 H LEU 48 -10.996 -0.282 30.384
378 HA LEU 48 HA LEU 48 -10.443 -1.049 33.115
379 1HB LEU 48 2HB LEU 48 -9.004 -2.322 30.795
380 2HB LEU 48 3HB LEU 48 -8.418 -2.358 32.457
381 HG LEU 48 HG LEU 48 -11.012 -3.572 31.510
382 1HD1 LEU 48 1HD1 LEU 48 -9.953 -5.691 31.633
383 2HD1 LEU 48 2HD1 LEU 48 -8.488 -4.993 32.322
384 3HD1 LEU 48 3HD1 LEU 48 -8.920 -4.658 30.644
385 1HD2 LEU 48 1HD2 LEU 48 -10.113 -2.850 34.087
386 2HD2 LEU 48 2HD2 LEU 48 -10.019 -4.607 33.975
387 3HD2 LEU 48 3HD2 LEU 48 -11.546 -3.784 33.651
388 H LYS 49 H LYS 49 -9.765 0.913 33.742
389 HA LYS 49 HA LYS 49 -7.733 2.276 32.108
390 1HB LYS 49 2HB LYS 49 -8.407 4.332 33.115
391 2HB LYS 49 3HB LYS 49 -9.873 3.494 32.624
392 1HG LYS 49 2HG LYS 49 -10.183 2.724 34.940
393 2HG LYS 49 3HG LYS 49 -8.747 3.635 35.414
394 1HD LYS 49 2HD LYS 49 -9.809 5.710 34.737
395 2HD LYS 49 3HD LYS 49 -11.225 4.824 34.166
396 1HE LYS 49 2HE LYS 49 -11.523 3.977 36.505
397 2HE LYS 49 3HE LYS 49 -10.239 5.078 37.003
398 1HZ LYS 49 1HZ LYS 49 -12.522 6.148 35.499
399 2HZ LYS 49 2HZ LYS 49 -11.544 6.906 36.653
400 3HZ LYS 49 3HZ LYS 49 -12.723 5.797 37.142
401 H LYS 50 H LYS 50 -8.453 1.009 35.287
402 HA LYS 50 HA LYS 50 -5.925 1.961 36.374
403 1HB LYS 50 2HB LYS 50 -7.997 1.990 37.750
404 2HB LYS 50 3HB LYS 50 -8.045 0.234 37.666
405 1HG LYS 50 2HG LYS 50 -7.051 0.562 39.702
406 2HG LYS 50 3HG LYS 50 -5.637 0.407 38.656
407 1HD LYS 50 2HD LYS 50 -5.118 2.637 38.798
408 2HD LYS 50 3HD LYS 50 -6.790 3.117 39.096
409 1HE LYS 50 2HE LYS 50 -5.545 3.455 41.111
410 2HE LYS 50 3HE LYS 50 -6.616 2.075 41.353
411 1HZ LYS 50 1HZ LYS 50 -3.698 2.015 40.825
412 2HZ LYS 50 2HZ LYS 50 -4.679 0.637 40.792
413 3HZ LYS 50 3HZ LYS 50 -4.499 1.513 42.227
414 H ARG 51 H ARG 51 -7.533 -1.225 36.316
415 HA ARG 51 HA ARG 51 -4.986 -2.568 36.512
416 1HB ARG 51 2HB ARG 51 -6.311 -4.626 36.542
417 2HB ARG 51 3HB ARG 51 -6.941 -3.454 37.691
418 1HG ARG 51 2HG ARG 51 -8.668 -2.829 36.023
419 2HG ARG 51 3HG ARG 51 -8.079 -4.134 34.990
420 1HD ARG 51 2HD ARG 51 -9.964 -4.960 36.195
421 2HD ARG 51 3HD ARG 51 -8.523 -5.714 36.874
422 HE ARG 51 HE ARG 51 -8.961 -3.501 38.426
423 1HH1 ARG 51 2HH1 ARG 51 -10.806 -6.313 37.527
424 2HH1 ARG 51 1HH1 ARG 51 -11.712 -6.350 39.003
425 1HH2 ARG 51 2HH2 ARG 51 -10.147 -3.540 40.373
426 2HH2 ARG 51 1HH2 ARG 51 -11.338 -4.772 40.621
427 H PHE 52 H PHE 52 -4.395 -4.319 35.000
428 HA PHE 52 HA PHE 52 -5.276 -3.794 32.244
429 1HB PHE 52 2HB PHE 52 -2.411 -4.205 33.129
430 2HB PHE 52 3HB PHE 52 -2.956 -4.020 31.465
431 HD1 PHE 52 1HD PHE 52 -3.374 -1.886 30.539
432 HD2 PHE 52 2HD PHE 52 -2.585 -2.295 34.702
433 HE1 PHE 52 1HE PHE 52 -3.123 0.554 30.728
434 HE2 PHE 52 2HE PHE 52 -2.334 0.145 34.897
435 HZ PHE 52 HZ PHE 52 -2.603 1.573 32.909
436 H GLY 53 H GLY 53 -5.786 -5.568 31.118
437 1HA GLY 53 2HA GLY 53 -5.541 -8.148 32.405
438 2HA GLY 53 3HA GLY 53 -6.380 -7.806 30.899
439 H LEU 54 H LEU 54 -3.024 -7.621 32.099
440 HA LEU 54 HA LEU 54 -2.181 -8.947 29.607
441 1HB LEU 54 2HB LEU 54 -0.995 -6.756 31.227
442 2HB LEU 54 3HB LEU 54 0.104 -7.872 30.418
443 HG LEU 54 HG LEU 54 -2.056 -6.539 28.842
444 1HD1 LEU 54 1HD1 LEU 54 0.285 -5.014 28.554
445 2HD1 LEU 54 2HD1 LEU 54 -0.019 -5.142 30.287
446 3HD1 LEU 54 3HD1 LEU 54 -1.267 -4.503 29.218
447 1HD2 LEU 54 1HD2 LEU 54 0.710 -7.584 28.275
448 2HD2 LEU 54 2HD2 LEU 54 -0.238 -6.659 27.112
449 3HD2 LEU 54 3HD2 LEU 54 -0.829 -8.217 27.692
450 H VAL 55 H VAL 55 -2.011 -8.941 33.081
451 HA VAL 55 HA VAL 55 -0.978 -11.642 33.058
452 HB VAL 55 HB VAL 55 1.110 -10.396 33.037
453 1HG1 VAL 55 1HG1 VAL 55 0.118 -8.309 34.023
454 2HG1 VAL 55 2HG1 VAL 55 0.234 -9.084 35.603
455 3HG1 VAL 55 3HG1 VAL 55 1.695 -8.766 34.667
456 1HG2 VAL 55 1HG2 VAL 55 1.116 -12.430 34.307
457 2HG2 VAL 55 2HG2 VAL 55 2.071 -11.231 35.178
458 3HG2 VAL 55 3HG2 VAL 55 0.435 -11.611 35.712
459 HA PRO 56 HA PRO 56 -3.801 -11.757 36.461
460 1HB PRO 56 2HB PRO 56 -3.196 -14.257 37.329
461 2HB PRO 56 3HB PRO 56 -4.159 -13.951 35.879
462 1HG PRO 56 2HG PRO 56 -1.251 -14.624 36.116
463 2HG PRO 56 3HG PRO 56 -2.453 -15.243 34.968
464 1HD PRO 56 2HD PRO 56 -0.674 -13.309 34.314
465 2HD PRO 56 3HD PRO 56 -2.305 -13.382 33.616
466 H GLY 57 H GLY 57 -0.445 -12.842 36.939
467 1HA GLY 57 2HA GLY 57 1.012 -11.932 38.567
468 2HA GLY 57 3HA GLY 57 -0.386 -11.348 39.457
469 H GLN 58 H GLN 58 1.822 -12.763 40.569
470 HA GLN 58 HA GLN 58 0.565 -15.320 41.308
471 1HB GLN 58 2HB GLN 58 2.931 -15.224 40.249
472 2HB GLN 58 3HB GLN 58 3.445 -14.649 41.829
473 1HG GLN 58 2HG GLN 58 3.759 -17.065 41.549
474 2HG GLN 58 3HG GLN 58 2.663 -16.672 42.873
475 1HE2 GLN 58 1HE2 GLN 58 2.297 -17.021 39.358
476 2HE2 GLN 58 2HE2 GLN 58 0.987 -18.145 39.436
Start of MODEL 19
1 1H HIS 2 H HIS 2 12.316 21.937 26.209
2 HA HIS 2 HA HIS 2 10.375 20.974 24.575
3 1HB HIS 2 2HB HIS 2 12.610 21.949 22.796
4 2HB HIS 2 3HB HIS 2 11.080 21.226 22.309
5 HD1 HIS 2 1HD HIS 2 12.617 24.349 22.262
6 HD2 HIS 2 2HD HIS 2 8.860 23.063 23.483
7 HE1 HIS 2 1HE HIS 2 11.160 26.398 22.222
8 H LEU 3 H LEU 3 10.656 18.831 24.392
9 HA LEU 3 HA LEU 3 13.045 17.642 25.405
10 1HB LEU 3 2HB LEU 3 10.933 16.111 23.945
11 2HB LEU 3 3HB LEU 3 11.917 15.616 25.321
12 HG LEU 3 HG LEU 3 9.587 17.533 25.374
13 1HD1 LEU 3 1HD1 LEU 3 9.948 14.658 26.045
14 2HD1 LEU 3 2HD1 LEU 3 8.581 15.482 25.299
15 3HD1 LEU 3 3HD1 LEU 3 8.857 15.628 27.034
16 1HD2 LEU 3 1HD2 LEU 3 10.244 16.816 27.966
17 2HD2 LEU 3 2HD2 LEU 3 10.541 18.377 27.200
18 3HD2 LEU 3 3HD2 LEU 3 11.800 17.142 27.204
19 H MET 4 H MET 4 13.926 15.644 24.130
20 HA MET 4 HA MET 4 14.467 16.510 21.365
21 1HB MET 4 2HB MET 4 16.710 15.522 21.603
22 2HB MET 4 3HB MET 4 16.438 16.820 22.758
23 1HG MET 4 2HG MET 4 16.510 15.437 24.547
24 2HG MET 4 3HG MET 4 15.821 14.077 23.663
25 1HE MET 4 1HE MET 4 18.573 11.988 22.575
26 2HE MET 4 2HE MET 4 16.851 12.357 22.674
27 3HE MET 4 3HE MET 4 17.823 13.032 21.366
28 H TYR 5 H TYR 5 12.485 14.574 22.582
29 HA TYR 5 HA TYR 5 12.745 12.549 20.585
30 1HB TYR 5 2HB TYR 5 13.031 10.624 21.968
31 2HB TYR 5 3HB TYR 5 14.314 11.752 22.395
32 HD1 TYR 5 1HD TYR 5 11.644 9.745 23.623
33 HD2 TYR 5 2HD TYR 5 13.914 13.244 24.460
34 HE1 TYR 5 1HE TYR 5 10.958 9.618 25.980
35 HE2 TYR 5 2HE TYR 5 13.234 13.126 26.821
36 HH TYR 5 HH TYR 5 11.328 10.421 28.052
37 H THR 6 H THR 6 10.790 11.761 20.058
38 HA THR 6 HA THR 6 8.481 12.806 21.424
39 HB THR 6 HB THR 6 7.174 11.687 19.666
40 HG1 THR 6 1HG THR 6 8.062 9.992 18.774
41 1HG2 THR 6 1HG2 THR 6 7.822 13.819 18.996
42 2HG2 THR 6 2HG2 THR 6 8.402 12.807 17.672
43 3HG2 THR 6 3HG2 THR 6 9.527 13.379 18.904
44 H LEU 7 H LEU 7 6.617 11.372 21.953
45 HA LEU 7 HA LEU 7 7.577 8.907 23.248
46 1HB LEU 7 2HB LEU 7 5.294 10.724 24.002
47 2HB LEU 7 3HB LEU 7 5.675 9.201 24.804
48 HG LEU 7 HG LEU 7 7.319 11.728 24.793
49 1HD1 LEU 7 1HD1 LEU 7 7.008 11.427 27.285
50 2HD1 LEU 7 2HD1 LEU 7 5.779 10.226 26.892
51 3HD1 LEU 7 3HD1 LEU 7 5.575 11.898 26.370
52 1HD2 LEU 7 1HD2 LEU 7 8.108 8.953 25.196
53 2HD2 LEU 7 2HD2 LEU 7 8.488 9.988 26.572
54 3HD2 LEU 7 3HD2 LEU 7 9.100 10.394 24.968
55 H GLY 8 H GLY 8 6.195 7.068 23.263
56 1HA GLY 8 2HA GLY 8 4.528 6.920 20.864
57 2HA GLY 8 3HA GLY 8 5.145 5.556 21.783
58 HA PRO 9 HA PRO 9 0.644 6.057 22.774
59 1HB PRO 9 2HB PRO 9 0.052 3.421 22.512
60 2HB PRO 9 3HB PRO 9 0.043 4.547 21.149
61 1HG PRO 9 2HG PRO 9 2.161 2.605 21.988
62 2HG PRO 9 3HG PRO 9 1.557 2.968 20.361
63 1HD PRO 9 2HD PRO 9 3.873 3.995 21.317
64 2HD PRO 9 3HD PRO 9 2.839 4.875 20.174
65 H ASP 10 H ASP 10 3.055 3.697 23.817
66 HA ASP 10 HA ASP 10 1.741 3.571 26.449
67 1HB ASP 10 2HB ASP 10 2.306 1.456 24.973
68 2HB ASP 10 3HB ASP 10 3.913 1.674 25.658
69 H GLY 11 H GLY 11 3.589 5.673 25.377
70 1HA GLY 11 2HA GLY 11 5.122 7.057 26.419
71 2HA GLY 11 3HA GLY 11 5.215 5.899 27.738
72 H LYS 12 H LYS 12 5.761 5.037 24.389
73 HA LYS 12 HA LYS 12 8.435 4.137 25.076
74 1HB LYS 12 2HB LYS 12 6.637 3.771 22.697
75 2HB LYS 12 3HB LYS 12 8.343 3.356 22.605
76 1HG LYS 12 2HG LYS 12 7.952 1.903 24.645
77 2HG LYS 12 3HG LYS 12 6.228 2.148 24.359
78 1HD LYS 12 2HD LYS 12 8.098 1.113 22.240
79 2HD LYS 12 3HD LYS 12 7.249 0.050 23.364
80 1HE LYS 12 2HE LYS 12 5.820 0.075 21.549
81 2HE LYS 12 3HE LYS 12 5.136 1.337 22.572
82 1HZ LYS 12 1HZ LYS 12 5.901 1.591 19.953
83 2HZ LYS 12 2HZ LYS 12 7.124 2.376 20.818
84 3HZ LYS 12 3HZ LYS 12 5.512 2.851 21.014
85 H ARG 13 H ARG 13 10.043 5.560 24.988
86 HA ARG 13 HA ARG 13 9.988 8.009 23.638
87 1HB ARG 13 2HB ARG 13 12.498 7.962 23.989
88 2HB ARG 13 3HB ARG 13 11.513 7.779 25.434
89 1HG ARG 13 2HG ARG 13 12.099 5.209 24.289
90 2HG ARG 13 3HG ARG 13 13.582 6.124 24.566
91 1HD ARG 13 2HD ARG 13 13.303 5.084 26.600
92 2HD ARG 13 3HD ARG 13 12.501 6.627 26.885
93 HE ARG 13 HE ARG 13 10.494 5.525 27.050
94 1HH1 ARG 13 2HH1 ARG 13 12.897 3.380 25.726
95 2HH1 ARG 13 1HH1 ARG 13 11.894 1.973 25.845
96 1HH2 ARG 13 2HH2 ARG 13 9.165 3.677 27.212
97 2HH2 ARG 13 1HH2 ARG 13 9.772 2.143 26.690
98 H ILE 14 H ILE 14 10.870 8.718 21.710
99 HA ILE 14 HA ILE 14 12.094 6.775 19.916
100 HB ILE 14 HB ILE 14 9.593 8.298 19.172
101 1HG1 ILE 14 2HG1 ILE 14 10.103 5.322 19.376
102 2HG1 ILE 14 3HG1 ILE 14 9.204 6.278 20.550
103 1HG2 ILE 14 1HG2 ILE 14 10.288 6.408 17.202
104 2HG2 ILE 14 2HG2 ILE 14 10.272 8.165 17.065
105 3HG2 ILE 14 3HG2 ILE 14 11.746 7.333 17.561
106 1HD1 ILE 14 1HD1 ILE 14 8.309 5.070 18.110
107 2HD1 ILE 14 2HD1 ILE 14 7.373 5.825 19.401
108 3HD1 ILE 14 3HD1 ILE 14 8.012 6.808 18.084
109 H TYR 15 H TYR 15 13.948 7.808 19.511
110 HA TYR 15 HA TYR 15 14.422 10.535 19.589
111 1HB TYR 15 2HB TYR 15 15.868 8.582 17.791
112 2HB TYR 15 3HB TYR 15 16.498 10.086 18.453
113 HD1 TYR 15 1HD TYR 15 15.635 9.882 21.272
114 HD2 TYR 15 2HD TYR 15 17.266 6.935 18.672
115 HE1 TYR 15 1HE TYR 15 16.517 8.662 23.218
116 HE2 TYR 15 2HE TYR 15 18.151 5.707 20.610
117 HH TYR 15 HH TYR 15 17.241 6.451 23.830
118 H THR 16 H THR 16 13.132 11.915 18.508
119 HA THR 16 HA THR 16 13.181 11.767 15.580
120 HB THR 16 HB THR 16 10.647 12.561 16.991
121 HG1 THR 16 1HG THR 16 11.431 9.951 16.152
122 1HG2 THR 16 1HG2 THR 16 9.956 11.443 14.623
123 2HG2 THR 16 2HG2 THR 16 11.541 12.102 14.221
124 3HG2 THR 16 3HG2 THR 16 10.277 13.161 14.844
125 H LEU 17 H LEU 17 14.517 13.406 17.690
126 HA LEU 17 HA LEU 17 13.479 15.974 17.883
127 1HB LEU 17 2HB LEU 17 15.349 15.343 19.214
128 2HB LEU 17 3HB LEU 17 16.324 14.997 17.786
129 HG LEU 17 HG LEU 17 16.463 17.361 17.270
130 1HD1 LEU 17 1HD1 LEU 17 14.450 17.569 19.448
131 2HD1 LEU 17 2HD1 LEU 17 14.537 18.413 17.903
132 3HD1 LEU 17 3HD1 LEU 17 15.599 18.888 19.229
133 1HD2 LEU 17 1HD2 LEU 17 18.004 17.935 18.896
134 2HD2 LEU 17 2HD2 LEU 17 17.941 16.179 19.044
135 3HD2 LEU 17 3HD2 LEU 17 17.067 17.193 20.194
136 H LYS 18 H LYS 18 13.010 17.436 16.393
137 HA LYS 18 HA LYS 18 13.494 17.170 13.671
138 1HB LYS 18 2HB LYS 18 12.760 19.511 15.401
139 2HB LYS 18 3HB LYS 18 13.050 19.733 13.680
140 1HG LYS 18 2HG LYS 18 11.119 17.668 14.660
141 2HG LYS 18 3HG LYS 18 10.644 19.359 14.487
142 1HD LYS 18 2HD LYS 18 11.390 19.272 12.121
143 2HD LYS 18 3HD LYS 18 11.715 17.549 12.323
144 1HE LYS 18 2HE LYS 18 9.020 18.662 12.989
145 2HE LYS 18 3HE LYS 18 9.448 18.327 11.312
146 1HZ LYS 18 1HZ LYS 18 8.330 16.446 12.321
147 2HZ LYS 18 2HZ LYS 18 9.500 16.362 13.539
148 3HZ LYS 18 3HZ LYS 18 9.925 16.038 11.934
149 H LYS 19 H LYS 19 15.386 18.779 16.158
150 HA LYS 19 HA LYS 19 17.162 20.174 14.490
151 1HB LYS 19 2HB LYS 19 16.923 20.529 16.942
152 2HB LYS 19 3HB LYS 19 17.737 18.995 17.214
153 1HG LYS 19 2HG LYS 19 19.118 21.014 15.536
154 2HG LYS 19 3HG LYS 19 19.027 21.299 17.275
155 1HD LYS 19 2HD LYS 19 19.807 18.766 17.353
156 2HD LYS 19 3HD LYS 19 20.457 19.175 15.763
157 1HE LYS 19 2HE LYS 19 21.002 20.715 18.299
158 2HE LYS 19 3HE LYS 19 22.080 19.504 17.607
159 1HZ LYS 19 1HZ LYS 19 21.808 22.234 16.925
160 2HZ LYS 19 2HZ LYS 19 21.488 21.276 15.569
161 3HZ LYS 19 3HZ LYS 19 22.958 21.115 16.389
162 H VAL 20 H VAL 20 18.448 19.350 12.989
163 HA VAL 20 HA VAL 20 19.890 16.855 13.588
164 HB VAL 20 HB VAL 20 18.044 16.402 11.996
165 1HG1 VAL 20 1HG1 VAL 20 18.558 18.825 10.943
166 2HG1 VAL 20 2HG1 VAL 20 19.417 17.800 9.793
167 3HG1 VAL 20 3HG1 VAL 20 17.696 17.550 10.085
168 1HG2 VAL 20 1HG2 VAL 20 20.235 15.990 10.166
169 2HG2 VAL 20 2HG2 VAL 20 20.723 15.641 11.825
170 3HG2 VAL 20 3HG2 VAL 20 19.333 14.813 11.122
171 H THR 21 H THR 21 22.020 16.863 13.133
172 HA THR 21 HA THR 21 23.187 19.367 12.223
173 HB THR 21 HB THR 21 24.580 16.866 13.199
174 HG1 THR 21 1HG THR 21 23.529 19.125 14.524
175 1HG2 THR 21 1HG2 THR 21 26.523 18.250 13.465
176 2HG2 THR 21 2HG2 THR 21 25.617 19.694 13.012
177 3HG2 THR 21 3HG2 THR 21 25.939 18.443 11.812
178 H GLU 22 H GLU 22 23.872 19.712 10.218
179 HA GLU 22 HA GLU 22 23.922 17.491 8.333
180 1HB GLU 22 2HB GLU 22 24.056 19.212 6.605
181 2HB GLU 22 3HB GLU 22 22.724 19.536 7.706
182 1HG GLU 22 2HG GLU 22 24.327 21.097 8.922
183 2HG GLU 22 3HG GLU 22 25.361 20.945 7.502
184 H SER 23 H SER 23 25.716 16.645 7.459
185 HA SER 23 HA SER 23 28.284 17.575 8.462
186 1HB SER 23 2HB SER 23 27.442 15.097 8.296
187 2HB SER 23 3HB SER 23 27.974 15.229 6.619
188 HG SER 23 HG SER 23 29.983 15.193 7.257
189 H GLY 24 H GLY 24 26.452 17.490 5.502
190 1HA GLY 24 2HA GLY 24 28.085 19.433 4.255
191 2HA GLY 24 3HA GLY 24 28.476 17.843 3.616
192 H GLU 25 H GLU 25 26.583 20.522 3.183
193 HA GLU 25 HA GLU 25 24.107 19.529 2.378
194 1HB GLU 25 2HB GLU 25 24.799 21.956 2.665
195 2HB GLU 25 3HB GLU 25 25.522 21.847 1.066
196 1HG GLU 25 2HG GLU 25 22.661 21.096 1.470
197 2HG GLU 25 3HG GLU 25 23.128 22.792 1.339
198 H ILE 26 H ILE 26 27.008 20.151 0.410
199 HA ILE 26 HA ILE 26 25.805 18.808 -1.868
200 HB ILE 26 HB ILE 26 28.602 19.918 -1.656
201 1HG1 ILE 26 2HG1 ILE 26 26.082 21.283 -2.628
202 2HG1 ILE 26 3HG1 ILE 26 26.953 21.670 -1.149
203 1HG2 ILE 26 1HG2 ILE 26 28.785 19.637 -3.914
204 2HG2 ILE 26 2HG2 ILE 26 27.728 18.280 -3.532
205 3HG2 ILE 26 3HG2 ILE 26 27.048 19.771 -4.185
206 1HD1 ILE 26 1HD1 ILE 26 28.754 21.779 -3.359
207 2HD1 ILE 26 2HD1 ILE 26 27.323 22.751 -3.708
208 3HD1 ILE 26 3HD1 ILE 26 28.266 23.061 -2.250
209 H THR 27 H THR 27 26.210 16.777 -2.491
210 HA THR 27 HA THR 27 28.124 15.219 -0.900
211 HB THR 27 HB THR 27 25.782 14.418 -0.914
212 HG1 THR 27 1HG THR 27 26.374 12.301 -1.189
213 1HG2 THR 27 1HG2 THR 27 25.182 15.145 -3.183
214 2HG2 THR 27 2HG2 THR 27 24.844 13.431 -2.940
215 3HG2 THR 27 3HG2 THR 27 26.268 13.928 -3.855
216 H LYS 28 H LYS 28 27.319 16.187 -4.156
217 HA LYS 28 HA LYS 28 28.938 14.370 -5.566
218 1HB LYS 28 2HB LYS 28 27.691 17.008 -6.153
219 2HB LYS 28 3HB LYS 28 28.976 16.461 -7.224
220 1HG LYS 28 2HG LYS 28 26.787 14.560 -6.589
221 2HG LYS 28 3HG LYS 28 26.442 15.900 -7.686
222 1HD LYS 28 2HD LYS 28 27.158 14.324 -9.187
223 2HD LYS 28 3HD LYS 28 28.693 15.111 -8.811
224 1HE LYS 28 2HE LYS 28 29.371 13.364 -7.404
225 2HE LYS 28 3HE LYS 28 27.735 12.719 -7.271
226 1HZ LYS 28 1HZ LYS 28 29.744 12.080 -9.151
227 2HZ LYS 28 2HZ LYS 28 28.385 12.674 -9.962
228 3HZ LYS 28 3HZ LYS 28 28.234 11.350 -8.921
229 H SER 29 H SER 29 30.802 15.356 -7.014
230 HA SER 29 HA SER 29 32.546 17.153 -5.554
231 1HB SER 29 2HB SER 29 32.849 14.674 -4.749
232 2HB SER 29 3HB SER 29 33.726 14.491 -6.267
233 HG SER 29 HG SER 29 34.280 16.449 -4.287
234 H ALA 30 H ALA 30 33.016 18.540 -7.129
235 HA ALA 30 HA ALA 30 33.131 17.811 -9.885
236 1HB ALA 30 1HB ALA 30 34.337 20.271 -9.733
237 2HB ALA 30 2HB ALA 30 32.607 19.982 -9.920
238 3HB ALA 30 3HB ALA 30 33.286 20.263 -8.317
239 H HIS 31 H HIS 31 34.988 18.067 -11.286
240 HA HIS 31 HA HIS 31 37.630 18.234 -10.233
241 1HB HIS 31 2HB HIS 31 36.930 15.907 -9.552
242 2HB HIS 31 3HB HIS 31 36.816 15.513 -11.265
243 HD1 HIS 31 1HD HIS 31 39.607 17.685 -10.082
244 HD2 HIS 31 2HD HIS 31 38.950 13.698 -11.044
245 HE1 HIS 31 1HE HIS 31 41.892 16.646 -10.236
246 HA PRO 32 HA PRO 32 37.008 19.172 -14.746
247 1HB PRO 32 2HB PRO 32 38.115 21.649 -14.630
248 2HB PRO 32 3HB PRO 32 36.405 21.344 -14.302
249 1HG PRO 32 2HG PRO 32 38.665 21.716 -12.376
250 2HG PRO 32 3HG PRO 32 37.021 22.377 -12.311
251 1HD PRO 32 2HD PRO 32 37.783 20.221 -10.861
252 2HD PRO 32 3HD PRO 32 36.132 20.419 -11.483
253 H ALA 33 H ALA 33 38.609 17.552 -15.138
254 HA ALA 33 HA ALA 33 41.400 18.190 -14.730
255 1HB ALA 33 1HB ALA 33 39.846 15.824 -15.393
256 2HB ALA 33 2HB ALA 33 41.327 15.957 -16.341
257 3HB ALA 33 3HB ALA 33 41.404 15.964 -14.580
258 H ARG 34 H ARG 34 39.505 17.295 -17.621
259 HA ARG 34 HA ARG 34 40.666 19.441 -19.150
260 1HB ARG 34 2HB ARG 34 41.766 16.729 -19.277
261 2HB ARG 34 3HB ARG 34 41.293 17.366 -20.845
262 1HG ARG 34 2HG ARG 34 43.122 18.770 -18.910
263 2HG ARG 34 3HG ARG 34 43.657 17.793 -20.279
264 1HD ARG 34 2HD ARG 34 41.699 19.950 -20.826
265 2HD ARG 34 3HD ARG 34 43.346 20.437 -20.428
266 HE ARG 34 HE ARG 34 43.407 18.418 -22.390
267 1HH1 ARG 34 2HH1 ARG 34 42.564 21.771 -21.984
268 2HH1 ARG 34 1HH1 ARG 34 42.896 22.190 -23.632
269 1HH2 ARG 34 2HH2 ARG 34 43.847 18.956 -24.563
270 2HH2 ARG 34 1HH2 ARG 34 43.625 20.587 -25.098
271 H PHE 35 H PHE 35 39.160 20.141 -20.510
272 HA PHE 35 HA PHE 35 37.466 18.315 -21.963
273 1HB PHE 35 2HB PHE 35 35.349 19.201 -21.149
274 2HB PHE 35 3HB PHE 35 36.271 18.531 -19.807
275 HD1 PHE 35 1HD PHE 35 34.675 21.446 -21.166
276 HD2 PHE 35 2HD PHE 35 37.489 20.096 -18.272
277 HE1 PHE 35 1HE PHE 35 34.457 23.581 -19.961
278 HE2 PHE 35 2HE PHE 35 37.274 22.227 -17.062
279 HZ PHE 35 HZ PHE 35 35.755 23.973 -17.905
280 H SER 36 H SER 36 36.667 19.196 -23.827
281 HA SER 36 HA SER 36 37.276 22.043 -24.293
282 1HB SER 36 2HB SER 36 37.837 19.625 -25.944
283 2HB SER 36 3HB SER 36 37.405 21.113 -26.789
284 HG SER 36 HG SER 36 39.469 20.893 -24.852
285 HA PRO 37 HA PRO 37 33.139 22.705 -25.592
286 1HB PRO 37 2HB PRO 37 33.446 24.401 -27.689
287 2HB PRO 37 3HB PRO 37 33.720 24.888 -26.012
288 1HG PRO 37 2HG PRO 37 35.709 24.094 -28.102
289 2HG PRO 37 3HG PRO 37 35.787 25.424 -26.932
290 1HD PRO 37 2HD PRO 37 37.102 23.084 -26.569
291 2HD PRO 37 3HD PRO 37 36.462 24.040 -25.216
292 H ASP 38 H ASP 38 35.326 22.090 -28.334
293 HA ASP 38 HA ASP 38 33.151 20.582 -29.628
294 1HB ASP 38 2HB ASP 38 35.286 22.356 -30.703
295 2HB ASP 38 3HB ASP 38 34.825 20.961 -31.675
296 H ASP 39 H ASP 39 33.443 18.477 -30.062
297 HA ASP 39 HA ASP 39 35.857 17.205 -29.090
298 1HB ASP 39 2HB ASP 39 33.320 16.431 -28.899
299 2HB ASP 39 3HB ASP 39 33.695 15.652 -30.434
300 H LYS 40 H LYS 40 34.491 18.162 -32.102
301 HA LYS 40 HA LYS 40 35.990 16.338 -33.734
302 1HB LYS 40 2HB LYS 40 34.168 18.641 -34.198
303 2HB LYS 40 3HB LYS 40 35.303 18.247 -35.482
304 1HG LYS 40 2HG LYS 40 33.729 16.021 -34.322
305 2HG LYS 40 3HG LYS 40 32.882 17.182 -35.349
306 1HD LYS 40 2HD LYS 40 35.474 16.026 -36.277
307 2HD LYS 40 3HD LYS 40 34.006 15.052 -36.387
308 1HE LYS 40 2HE LYS 40 33.975 16.087 -38.431
309 2HE LYS 40 3HE LYS 40 33.029 17.231 -37.480
310 1HZ LYS 40 1HZ LYS 40 35.939 17.586 -37.685
311 2HZ LYS 40 2HZ LYS 40 34.733 18.746 -37.438
312 3HZ LYS 40 3HZ LYS 40 34.956 18.071 -38.973
313 H TYR 41 H TYR 41 36.872 18.971 -31.931
314 HA TYR 41 HA TYR 41 38.549 20.493 -33.507
315 1HB TYR 41 2HB TYR 41 39.600 21.212 -31.521
316 2HB TYR 41 3HB TYR 41 37.958 20.799 -31.038
317 HD1 TYR 41 1HD TYR 41 41.213 20.611 -29.999
318 HD2 TYR 41 2HD TYR 41 37.798 18.111 -30.444
319 HE1 TYR 41 1HE TYR 41 42.107 19.094 -28.281
320 HE2 TYR 41 2HE TYR 41 38.681 16.589 -28.726
321 HH TYR 41 HH TYR 41 40.565 16.025 -27.559
322 H SER 42 H SER 42 39.005 17.265 -32.283
323 HA SER 42 HA SER 42 41.779 17.027 -32.549
324 1HB SER 42 2HB SER 42 41.141 14.525 -32.992
325 2HB SER 42 3HB SER 42 40.797 15.246 -31.419
326 HG SER 42 HG SER 42 38.682 15.356 -31.914
327 H ARG 43 H ARG 43 42.805 17.662 -34.347
328 HA ARG 43 HA ARG 43 41.686 17.276 -36.969
329 1HB ARG 43 2HB ARG 43 43.696 18.366 -37.781
330 2HB ARG 43 3HB ARG 43 43.049 19.258 -36.410
331 1HG ARG 43 2HG ARG 43 44.731 18.356 -34.956
332 2HG ARG 43 3HG ARG 43 45.315 17.285 -36.231
333 1HD ARG 43 2HD ARG 43 45.248 20.229 -36.708
334 2HD ARG 43 3HD ARG 43 46.535 19.546 -35.717
335 HE ARG 43 HE ARG 43 46.318 18.081 -38.109
336 1HH1 ARG 43 2HH1 ARG 43 47.344 21.194 -36.934
337 2HH1 ARG 43 1HH1 ARG 43 48.506 21.432 -38.196
338 1HH2 ARG 43 2HH2 ARG 43 47.846 18.383 -39.775
339 2HH2 ARG 43 1HH2 ARG 43 48.792 19.833 -39.812
340 H GLN 44 H GLN 44 43.877 15.587 -34.888
341 HA GLN 44 HA GLN 44 45.410 14.124 -36.655
342 1HB GLN 44 2HB GLN 44 45.325 14.154 -34.036
343 2HB GLN 44 3HB GLN 44 44.244 12.783 -34.245
344 1HG GLN 44 2HG GLN 44 47.060 12.979 -35.288
345 2HG GLN 44 3HG GLN 44 46.541 12.074 -33.867
346 1HE2 GLN 44 1HE2 GLN 44 45.010 10.326 -34.216
347 2HE2 GLN 44 2HE2 GLN 44 45.072 9.438 -35.698
348 H ARG 45 H ARG 45 42.153 13.379 -35.452
349 HA ARG 45 HA ARG 45 41.854 10.925 -36.787
350 1HB ARG 45 2HB ARG 45 40.033 12.891 -35.506
351 2HB ARG 45 3HB ARG 45 39.306 11.749 -36.628
352 1HG ARG 45 2HG ARG 45 39.103 10.537 -34.730
353 2HG ARG 45 3HG ARG 45 40.729 10.027 -35.190
354 1HD ARG 45 2HD ARG 45 41.126 10.601 -33.021
355 2HD ARG 45 3HD ARG 45 41.395 12.169 -33.781
356 HE ARG 45 HE ARG 45 39.498 12.963 -32.758
357 1HH1 ARG 45 2HH1 ARG 45 39.616 9.495 -32.474
358 2HH1 ARG 45 1HH1 ARG 45 38.298 9.412 -31.353
359 1HH2 ARG 45 2HH2 ARG 45 37.762 12.866 -31.282
360 2HH2 ARG 45 1HH2 ARG 45 37.243 11.330 -30.676
361 H VAL 46 H VAL 46 41.412 14.233 -37.832
362 HA VAL 46 HA VAL 46 40.017 13.584 -40.247
363 HB VAL 46 HB VAL 46 41.538 16.119 -39.637
364 1HG1 VAL 46 1HG1 VAL 46 40.988 16.501 -41.779
365 2HG1 VAL 46 2HG1 VAL 46 39.772 15.224 -41.801
366 3HG1 VAL 46 3HG1 VAL 46 39.376 16.807 -41.132
367 1HG2 VAL 46 1HG2 VAL 46 38.704 15.352 -38.958
368 2HG2 VAL 46 2HG2 VAL 46 40.000 15.749 -37.830
369 3HG2 VAL 46 3HG2 VAL 46 39.334 16.998 -38.882
370 H THR 47 H THR 47 43.335 14.703 -39.571
371 HA THR 47 HA THR 47 44.277 14.463 -42.207
372 HB THR 47 HB THR 47 45.444 15.744 -40.428
373 HG1 THR 47 1HG THR 47 46.950 15.493 -41.897
374 1HG2 THR 47 1HG2 THR 47 46.380 13.040 -39.461
375 2HG2 THR 47 2HG2 THR 47 45.179 14.038 -38.639
376 3HG2 THR 47 3HG2 THR 47 46.836 14.614 -38.811
377 H LEU 48 H LEU 48 45.848 12.913 -43.033
378 HA LEU 48 HA LEU 48 44.952 10.280 -42.929
379 1HB LEU 48 2HB LEU 48 47.394 11.629 -43.955
380 2HB LEU 48 3HB LEU 48 47.409 9.871 -43.830
381 HG LEU 48 HG LEU 48 46.815 10.743 -46.087
382 1HD1 LEU 48 1HD1 LEU 48 45.169 8.887 -44.483
383 2HD1 LEU 48 2HD1 LEU 48 46.087 8.606 -45.961
384 3HD1 LEU 48 3HD1 LEU 48 44.510 9.390 -46.039
385 1HD2 LEU 48 1HD2 LEU 48 45.484 12.686 -45.102
386 2HD2 LEU 48 2HD2 LEU 48 44.175 11.523 -44.886
387 3HD2 LEU 48 3HD2 LEU 48 44.798 11.862 -46.502
388 H LYS 49 H LYS 49 45.259 8.655 -41.555
389 HA LYS 49 HA LYS 49 46.965 9.050 -39.248
390 1HB LYS 49 2HB LYS 49 44.871 7.061 -40.034
391 2HB LYS 49 3HB LYS 49 46.003 6.651 -38.752
392 1HG LYS 49 2HG LYS 49 45.327 8.722 -37.565
393 2HG LYS 49 3HG LYS 49 44.103 8.985 -38.810
394 1HD LYS 49 2HD LYS 49 44.281 6.504 -37.104
395 2HD LYS 49 3HD LYS 49 43.242 7.884 -36.741
396 1HE LYS 49 2HE LYS 49 42.379 7.516 -39.172
397 2HE LYS 49 3HE LYS 49 43.060 5.902 -38.973
398 1HZ LYS 49 1HZ LYS 49 41.038 5.474 -38.127
399 2HZ LYS 49 2HZ LYS 49 40.719 7.089 -37.739
400 3HZ LYS 49 3HZ LYS 49 41.677 6.147 -36.712
401 H LYS 50 H LYS 50 48.932 8.219 -38.968
402 HA LYS 50 HA LYS 50 49.967 6.396 -41.018
403 1HB LYS 50 2HB LYS 50 51.187 8.424 -39.210
404 2HB LYS 50 3HB LYS 50 52.175 7.046 -39.677
405 1HG LYS 50 2HG LYS 50 51.485 7.644 -42.085
406 2HG LYS 50 3HG LYS 50 51.015 9.201 -41.397
407 1HD LYS 50 2HD LYS 50 53.717 8.088 -40.788
408 2HD LYS 50 3HD LYS 50 53.427 8.842 -42.357
409 1HE LYS 50 2HE LYS 50 54.159 10.636 -41.111
410 2HE LYS 50 3HE LYS 50 52.411 10.771 -40.927
411 1HZ LYS 50 1HZ LYS 50 53.513 9.093 -38.922
412 2HZ LYS 50 2HZ LYS 50 52.599 10.506 -38.748
413 3HZ LYS 50 3HZ LYS 50 54.280 10.601 -38.913
414 H ARG 51 H ARG 51 51.531 4.721 -40.277
415 HA ARG 51 HA ARG 51 50.369 3.258 -38.056
416 1HB ARG 51 2HB ARG 51 52.498 2.513 -40.068
417 2HB ARG 51 3HB ARG 51 51.901 1.434 -38.814
418 1HG ARG 51 2HG ARG 51 50.602 0.754 -40.546
419 2HG ARG 51 3HG ARG 51 49.571 2.034 -39.904
420 1HD ARG 51 2HD ARG 51 50.348 3.577 -41.563
421 2HD ARG 51 3HD ARG 51 51.576 2.439 -42.116
422 HE ARG 51 HE ARG 51 49.205 1.122 -42.455
423 1HH1 ARG 51 2HH1 ARG 51 50.527 4.156 -43.537
424 2HH1 ARG 51 1HH1 ARG 51 49.631 4.167 -45.020
425 1HH2 ARG 51 2HH2 ARG 51 48.019 1.125 -44.404
426 2HH2 ARG 51 1HH2 ARG 51 48.203 2.444 -45.511
427 H PHE 52 H PHE 52 51.267 2.977 -36.104
428 HA PHE 52 HA PHE 52 53.706 4.439 -35.504
429 1HB PHE 52 2HB PHE 52 51.853 2.931 -33.647
430 2HB PHE 52 3HB PHE 52 53.143 4.029 -33.164
431 HD1 PHE 52 1HD PHE 52 49.731 3.736 -34.315
432 HD2 PHE 52 2HD PHE 52 52.932 6.452 -33.615
433 HE1 PHE 52 1HE PHE 52 48.146 5.617 -34.380
434 HE2 PHE 52 2HE PHE 52 51.352 8.337 -33.678
435 HZ PHE 52 HZ PHE 52 48.955 7.920 -34.059
436 H GLY 53 H GLY 53 52.605 1.158 -35.844
437 1HA GLY 53 2HA GLY 53 54.844 -0.037 -34.499
438 2HA GLY 53 3HA GLY 53 53.656 -0.870 -35.490
439 H LEU 54 H LEU 54 56.548 1.162 -35.642
440 HA LEU 54 HA LEU 54 57.000 0.597 -38.423
441 1HB LEU 54 2HB LEU 54 58.446 2.078 -36.279
442 2HB LEU 54 3HB LEU 54 59.328 1.608 -37.731
443 HG LEU 54 HG LEU 54 58.554 3.898 -37.906
444 1HD1 LEU 54 1HD1 LEU 54 58.068 3.699 -40.082
445 2HD1 LEU 54 2HD1 LEU 54 56.668 2.670 -39.780
446 3HD1 LEU 54 3HD1 LEU 54 58.286 1.972 -39.807
447 1HD2 LEU 54 1HD2 LEU 54 56.337 4.579 -37.700
448 2HD2 LEU 54 2HD2 LEU 54 56.535 3.425 -36.380
449 3HD2 LEU 54 3HD2 LEU 54 55.715 2.937 -37.864
450 H VAL 55 H VAL 55 59.251 0.089 -35.719
451 HA VAL 55 HA VAL 55 59.617 -2.693 -36.527
452 HB VAL 55 HB VAL 55 61.911 -0.732 -36.373
453 1HG1 VAL 55 1HG1 VAL 55 61.847 -3.521 -35.889
454 2HG1 VAL 55 2HG1 VAL 55 62.650 -3.265 -37.440
455 3HG1 VAL 55 3HG1 VAL 55 63.251 -2.458 -35.991
456 1HG2 VAL 55 1HG2 VAL 55 62.230 -1.493 -38.772
457 2HG2 VAL 55 2HG2 VAL 55 60.602 -2.167 -38.671
458 3HG2 VAL 55 3HG2 VAL 55 60.853 -0.434 -38.462
459 HA PRO 56 HA PRO 56 59.660 -2.991 -32.093
460 1HB PRO 56 2HB PRO 56 60.075 -5.672 -31.979
461 2HB PRO 56 3HB PRO 56 58.507 -4.958 -32.375
462 1HG PRO 56 2HG PRO 56 60.596 -6.074 -34.205
463 2HG PRO 56 3HG PRO 56 58.836 -6.282 -34.257
464 1HD PRO 56 2HD PRO 56 60.143 -4.534 -35.859
465 2HD PRO 56 3HD PRO 56 58.496 -4.237 -35.265
466 H GLY 57 H GLY 57 61.258 -2.749 -30.643
467 1HA GLY 57 2HA GLY 57 63.326 -3.534 -29.656
468 2HA GLY 57 3HA GLY 57 63.904 -3.889 -31.278
469 H GLN 58 H GLN 58 62.230 -0.931 -30.422
470 HA GLN 58 HA GLN 58 64.769 0.537 -30.518
471 1HB GLN 58 2HB GLN 58 63.735 2.243 -31.969
472 2HB GLN 58 3HB GLN 58 63.839 0.674 -32.756
473 1HG GLN 58 2HG GLN 58 61.723 1.286 -33.331
474 2HG GLN 58 3HG GLN 58 61.402 0.398 -31.842
475 1HE2 GLN 58 1HE2 GLN 58 59.404 1.775 -32.136
476 2HE2 GLN 58 2HE2 GLN 58 59.408 3.318 -31.357
Start of MODEL 20
1 1H HIS 2 H HIS 2 8.496 19.470 24.521
2 HA HIS 2 HA HIS 2 10.102 21.277 22.840
3 1HB HIS 2 2HB HIS 2 10.889 22.462 24.754
4 2HB HIS 2 3HB HIS 2 9.135 22.397 24.888
5 HD1 HIS 2 1HD HIS 2 12.151 21.738 26.761
6 HD2 HIS 2 2HD HIS 2 8.268 20.262 26.746
7 HE1 HIS 2 1HE HIS 2 11.864 20.578 28.973
8 H LEU 3 H LEU 3 9.857 18.252 23.998
9 HA LEU 3 HA LEU 3 12.569 17.820 24.864
10 1HB LEU 3 2HB LEU 3 10.378 15.878 24.148
11 2HB LEU 3 3HB LEU 3 11.932 15.433 24.849
12 HG LEU 3 HG LEU 3 10.275 17.387 26.345
13 1HD1 LEU 3 1HD1 LEU 3 9.108 15.022 25.427
14 2HD1 LEU 3 2HD1 LEU 3 8.526 16.074 26.718
15 3HD1 LEU 3 3HD1 LEU 3 9.567 14.703 27.100
16 1HD2 LEU 3 1HD2 LEU 3 12.615 16.138 26.839
17 2HD2 LEU 3 2HD2 LEU 3 11.490 15.017 27.605
18 3HD2 LEU 3 3HD2 LEU 3 11.520 16.711 28.097
19 H MET 4 H MET 4 13.931 16.136 23.781
20 HA MET 4 HA MET 4 13.960 16.653 20.897
21 1HB MET 4 2HB MET 4 16.085 15.662 22.799
22 2HB MET 4 3HB MET 4 16.303 15.716 21.055
23 1HG MET 4 2HG MET 4 17.230 17.707 21.573
24 2HG MET 4 3HG MET 4 15.555 18.230 21.422
25 1HE MET 4 1HE MET 4 17.311 20.360 23.761
26 2HE MET 4 2HE MET 4 16.235 20.198 22.372
27 3HE MET 4 3HE MET 4 15.564 20.471 23.981
28 H TYR 5 H TYR 5 12.194 14.684 22.252
29 HA TYR 5 HA TYR 5 12.575 12.532 20.410
30 1HB TYR 5 2HB TYR 5 12.842 10.734 22.053
31 2HB TYR 5 3HB TYR 5 14.195 11.858 22.130
32 HD1 TYR 5 1HD TYR 5 14.233 13.578 23.985
33 HD2 TYR 5 2HD TYR 5 11.523 10.298 23.954
34 HE1 TYR 5 1HE TYR 5 13.856 13.874 26.398
35 HE2 TYR 5 2HE TYR 5 11.139 10.585 26.366
36 HH TYR 5 HH TYR 5 11.522 11.862 28.153
37 H THR 6 H THR 6 10.615 11.900 19.818
38 HA THR 6 HA THR 6 8.305 12.705 21.351
39 HB THR 6 HB THR 6 7.015 11.663 19.467
40 HG1 THR 6 1HG THR 6 8.388 10.147 18.643
41 1HG2 THR 6 1HG2 THR 6 8.977 13.872 19.168
42 2HG2 THR 6 2HG2 THR 6 7.216 13.899 19.063
43 3HG2 THR 6 3HG2 THR 6 8.172 13.300 17.708
44 H LEU 7 H LEU 7 6.891 11.411 22.437
45 HA LEU 7 HA LEU 7 7.814 8.707 23.028
46 1HB LEU 7 2HB LEU 7 5.670 10.394 24.309
47 2HB LEU 7 3HB LEU 7 6.157 8.789 24.853
48 HG LEU 7 HG LEU 7 7.785 11.323 24.940
49 1HD1 LEU 7 1HD1 LEU 7 7.805 10.759 27.385
50 2HD1 LEU 7 2HD1 LEU 7 6.588 9.530 27.040
51 3HD1 LEU 7 3HD1 LEU 7 6.233 11.231 26.736
52 1HD2 LEU 7 1HD2 LEU 7 9.163 9.364 26.316
53 2HD2 LEU 7 2HD2 LEU 7 9.585 10.025 24.735
54 3HD2 LEU 7 3HD2 LEU 7 8.628 8.546 24.846
55 H GLY 8 H GLY 8 6.128 6.989 23.288
56 1HA GLY 8 2HA GLY 8 4.327 7.086 20.969
57 2HA GLY 8 3HA GLY 8 4.913 5.626 21.751
58 HA PRO 9 HA PRO 9 0.553 6.624 23.165
59 1HB PRO 9 2HB PRO 9 -0.553 4.280 22.356
60 2HB PRO 9 3HB PRO 9 -0.442 5.702 21.311
61 1HG PRO 9 2HG PRO 9 1.316 3.281 21.409
62 2HG PRO 9 3HG PRO 9 0.679 4.145 19.997
63 1HD PRO 9 2HD PRO 9 3.211 4.486 20.892
64 2HD PRO 9 3HD PRO 9 2.288 5.791 20.121
65 H ASP 10 H ASP 10 2.965 4.283 23.684
66 HA ASP 10 HA ASP 10 1.545 3.201 26.023
67 1HB ASP 10 2HB ASP 10 3.051 1.310 25.937
68 2HB ASP 10 3HB ASP 10 2.343 1.546 24.342
69 H GLY 11 H GLY 11 4.194 5.138 25.002
70 1HA GLY 11 2HA GLY 11 5.076 6.667 26.714
71 2HA GLY 11 3HA GLY 11 5.123 5.289 27.803
72 H LYS 12 H LYS 12 6.040 4.620 24.585
73 HA LYS 12 HA LYS 12 8.767 4.137 25.434
74 1HB LYS 12 2HB LYS 12 7.215 2.701 23.847
75 2HB LYS 12 3HB LYS 12 7.870 3.764 22.610
76 1HG LYS 12 2HG LYS 12 9.232 1.843 22.627
77 2HG LYS 12 3HG LYS 12 10.163 3.113 23.426
78 1HD LYS 12 2HD LYS 12 10.493 1.399 24.903
79 2HD LYS 12 3HD LYS 12 9.023 2.100 25.584
80 1HE LYS 12 2HE LYS 12 8.801 -0.303 25.468
81 2HE LYS 12 3HE LYS 12 7.691 0.450 24.326
82 1HZ LYS 12 1HZ LYS 12 10.039 0.016 22.940
83 2HZ LYS 12 2HZ LYS 12 8.583 -0.827 22.770
84 3HZ LYS 12 3HZ LYS 12 9.773 -1.401 23.826
85 H ARG 13 H ARG 13 10.555 5.243 24.818
86 HA ARG 13 HA ARG 13 10.179 7.878 23.732
87 1HB ARG 13 2HB ARG 13 12.807 6.510 24.302
88 2HB ARG 13 3HB ARG 13 12.488 8.238 24.225
89 1HG ARG 13 2HG ARG 13 10.873 7.762 26.202
90 2HG ARG 13 3HG ARG 13 11.824 6.285 26.380
91 1HD ARG 13 2HD ARG 13 13.089 9.007 26.215
92 2HD ARG 13 3HD ARG 13 12.557 8.306 27.743
93 HE ARG 13 HE ARG 13 14.181 6.436 26.458
94 1HH1 ARG 13 2HH1 ARG 13 14.436 9.595 27.899
95 2HH1 ARG 13 1HH1 ARG 13 16.094 9.394 28.359
96 1HH2 ARG 13 2HH2 ARG 13 16.364 6.159 27.060
97 2HH2 ARG 13 1HH2 ARG 13 17.190 7.440 27.881
98 H ILE 14 H ILE 14 10.957 8.692 21.797
99 HA ILE 14 HA ILE 14 12.161 6.831 19.892
100 HB ILE 14 HB ILE 14 9.673 8.425 19.261
101 1HG1 ILE 14 2HG1 ILE 14 10.056 5.427 19.370
102 2HG1 ILE 14 3HG1 ILE 14 9.309 6.377 20.648
103 1HG2 ILE 14 1HG2 ILE 14 9.782 7.311 17.076
104 2HG2 ILE 14 2HG2 ILE 14 11.193 8.326 17.370
105 3HG2 ILE 14 3HG2 ILE 14 11.316 6.575 17.538
106 1HD1 ILE 14 1HD1 ILE 14 8.297 5.900 17.865
107 2HD1 ILE 14 2HD1 ILE 14 7.553 5.437 19.396
108 3HD1 ILE 14 3HD1 ILE 14 7.629 7.136 18.931
109 H TYR 15 H TYR 15 14.026 7.890 19.558
110 HA TYR 15 HA TYR 15 14.495 10.610 19.705
111 1HB TYR 15 2HB TYR 15 15.926 8.709 17.843
112 2HB TYR 15 3HB TYR 15 16.560 10.200 18.529
113 HD1 TYR 15 1HD TYR 15 17.094 6.912 18.699
114 HD2 TYR 15 2HD TYR 15 15.972 10.065 21.325
115 HE1 TYR 15 1HE TYR 15 18.004 5.644 20.599
116 HE2 TYR 15 2HE TYR 15 16.880 8.807 23.233
117 HH TYR 15 HH TYR 15 17.285 6.168 23.671
118 H THR 16 H THR 16 13.304 12.081 18.659
119 HA THR 16 HA THR 16 13.165 11.888 15.728
120 HB THR 16 HB THR 16 10.893 13.100 15.976
121 HG1 THR 16 1HG THR 16 11.294 13.201 18.385
122 1HG2 THR 16 1HG2 THR 16 11.394 10.668 15.265
123 2HG2 THR 16 2HG2 THR 16 9.752 11.074 15.765
124 3HG2 THR 16 3HG2 THR 16 10.833 10.240 16.881
125 H LEU 17 H LEU 17 14.864 13.388 17.698
126 HA LEU 17 HA LEU 17 14.232 16.066 17.898
127 1HB LEU 17 2HB LEU 17 16.193 14.963 18.926
128 2HB LEU 17 3HB LEU 17 16.963 14.915 17.341
129 HG LEU 17 HG LEU 17 17.689 16.742 18.976
130 1HD1 LEU 17 1HD1 LEU 17 17.710 16.590 16.272
131 2HD1 LEU 17 2HD1 LEU 17 18.463 17.883 17.205
132 3HD1 LEU 17 3HD1 LEU 17 16.855 18.113 16.517
133 1HD2 LEU 17 1HD2 LEU 17 15.273 18.197 17.968
134 2HD2 LEU 17 2HD2 LEU 17 16.353 18.617 19.297
135 3HD2 LEU 17 3HD2 LEU 17 15.216 17.280 19.473
136 H LYS 18 H LYS 18 15.839 14.394 15.211
137 HA LYS 18 HA LYS 18 16.313 16.636 13.605
138 1HB LYS 18 2HB LYS 18 16.327 14.968 11.712
139 2HB LYS 18 3HB LYS 18 17.405 14.597 13.049
140 1HG LYS 18 2HG LYS 18 15.899 12.935 13.887
141 2HG LYS 18 3HG LYS 18 14.669 13.392 12.706
142 1HD LYS 18 2HD LYS 18 15.576 11.562 11.666
143 2HD LYS 18 3HD LYS 18 16.587 12.840 10.990
144 1HE LYS 18 2HE LYS 18 17.373 11.376 13.488
145 2HE LYS 18 3HE LYS 18 17.738 10.727 11.890
146 1HZ LYS 18 1HZ LYS 18 19.570 11.962 12.015
147 2HZ LYS 18 2HZ LYS 18 18.992 12.875 13.316
148 3HZ LYS 18 3HZ LYS 18 18.576 13.302 11.733
149 H LYS 19 H LYS 19 15.074 17.833 12.289
150 HA LYS 19 HA LYS 19 12.293 17.836 12.494
151 1HB LYS 19 2HB LYS 19 13.866 19.701 11.695
152 2HB LYS 19 3HB LYS 19 13.776 18.936 10.115
153 1HG LYS 19 2HG LYS 19 12.137 20.531 9.950
154 2HG LYS 19 3HG LYS 19 11.204 19.128 10.474
155 1HD LYS 19 2HD LYS 19 11.342 19.926 12.797
156 2HD LYS 19 3HD LYS 19 12.235 21.344 12.244
157 1HE LYS 19 2HE LYS 19 9.498 20.640 11.216
158 2HE LYS 19 3HE LYS 19 9.749 21.652 12.637
159 1HZ LYS 19 1HZ LYS 19 11.333 22.882 10.918
160 2HZ LYS 19 2HZ LYS 19 9.694 23.266 11.082
161 3HZ LYS 19 3HZ LYS 19 10.203 22.254 9.826
162 H VAL 20 H VAL 20 10.677 16.866 11.404
163 HA VAL 20 HA VAL 20 11.368 14.707 9.601
164 HB VAL 20 HB VAL 20 8.612 15.565 10.482
165 1HG1 VAL 20 1HG1 VAL 20 8.168 14.092 8.812
166 2HG1 VAL 20 2HG1 VAL 20 9.722 13.271 8.972
167 3HG1 VAL 20 3HG1 VAL 20 8.423 12.934 10.117
168 1HG2 VAL 20 1HG2 VAL 20 8.785 13.881 12.235
169 2HG2 VAL 20 2HG2 VAL 20 10.448 13.538 11.758
170 3HG2 VAL 20 3HG2 VAL 20 10.030 15.114 12.431
171 H THR 21 H THR 21 11.457 14.925 7.474
172 HA THR 21 HA THR 21 10.081 17.198 6.220
173 HB THR 21 HB THR 21 12.352 15.498 5.171
174 HG1 THR 21 1HG THR 21 13.096 16.923 6.727
175 1HG2 THR 21 1HG2 THR 21 12.363 17.600 3.546
176 2HG2 THR 21 2HG2 THR 21 10.640 17.582 3.921
177 3HG2 THR 21 3HG2 THR 21 11.401 16.163 3.202
178 H GLU 22 H GLU 22 10.538 13.706 5.987
179 HA GLU 22 HA GLU 22 8.686 13.502 3.763
180 1HB GLU 22 2HB GLU 22 10.045 11.318 5.351
181 2HB GLU 22 3HB GLU 22 9.165 11.108 3.844
182 1HG GLU 22 2HG GLU 22 10.839 11.990 2.576
183 2HG GLU 22 3HG GLU 22 11.440 13.012 3.879
184 H SER 23 H SER 23 6.615 12.795 3.855
185 HA SER 23 HA SER 23 5.537 12.157 6.524
186 1HB SER 23 2HB SER 23 4.868 14.414 5.590
187 2HB SER 23 3HB SER 23 4.012 13.549 4.315
188 HG SER 23 HG SER 23 2.859 14.194 6.380
189 H GLY 24 H GLY 24 6.535 10.276 4.581
190 1HA GLY 24 2HA GLY 24 5.858 8.127 4.015
191 2HA GLY 24 3HA GLY 24 4.211 8.564 4.445
192 H GLU 25 H GLU 25 3.525 7.439 2.539
193 HA GLU 25 HA GLU 25 4.171 8.790 0.012
194 1HB GLU 25 2HB GLU 25 4.402 6.241 0.331
195 2HB GLU 25 3HB GLU 25 2.645 6.209 0.261
196 1HG GLU 25 2HG GLU 25 2.644 7.088 -1.955
197 2HG GLU 25 3HG GLU 25 4.379 7.392 -1.890
198 H ILE 26 H ILE 26 2.713 10.027 -0.979
199 HA ILE 26 HA ILE 26 -0.036 10.029 0.069
200 HB ILE 26 HB ILE 26 1.398 12.221 -1.435
201 1HG1 ILE 26 2HG1 ILE 26 0.951 13.289 0.974
202 2HG1 ILE 26 3HG1 ILE 26 1.073 11.601 1.461
203 1HG2 ILE 26 1HG2 ILE 26 -1.346 12.021 -0.229
204 2HG2 ILE 26 2HG2 ILE 26 -0.573 13.570 -0.562
205 3HG2 ILE 26 3HG2 ILE 26 -0.900 12.446 -1.882
206 1HD1 ILE 26 1HD1 ILE 26 3.287 11.477 0.963
207 2HD1 ILE 26 2HD1 ILE 26 3.188 12.701 -0.304
208 3HD1 ILE 26 3HD1 ILE 26 3.172 13.184 1.392
209 H THR 27 H THR 27 -1.728 9.645 -1.243
210 HA THR 27 HA THR 27 -1.401 8.335 -3.682
211 HB THR 27 HB THR 27 -3.835 8.659 -4.011
212 HG1 THR 27 1HG THR 27 -3.860 10.069 -1.553
213 1HG2 THR 27 1HG2 THR 27 -3.368 8.022 -1.113
214 2HG2 THR 27 2HG2 THR 27 -2.779 6.959 -2.391
215 3HG2 THR 27 3HG2 THR 27 -4.505 7.284 -2.241
216 H LYS 28 H LYS 28 -2.206 9.001 -5.814
217 HA LYS 28 HA LYS 28 -1.291 11.702 -6.435
218 1HB LYS 28 2HB LYS 28 -0.324 9.950 -7.776
219 2HB LYS 28 3HB LYS 28 -1.914 9.316 -8.180
220 1HG LYS 28 2HG LYS 28 -2.348 10.985 -9.694
221 2HG LYS 28 3HG LYS 28 -1.243 12.122 -8.920
222 1HD LYS 28 2HD LYS 28 -0.176 9.632 -10.187
223 2HD LYS 28 3HD LYS 28 -0.595 11.021 -11.193
224 1HE LYS 28 2HE LYS 28 1.283 11.103 -8.834
225 2HE LYS 28 3HE LYS 28 1.790 10.972 -10.518
226 1HZ LYS 28 1HZ LYS 28 1.248 13.287 -9.087
227 2HZ LYS 28 2HZ LYS 28 0.008 13.138 -10.227
228 3HZ LYS 28 3HZ LYS 28 1.622 13.155 -10.731
229 H SER 29 H SER 29 -4.180 9.746 -6.451
230 HA SER 29 HA SER 29 -5.700 12.082 -7.416
231 1HB SER 29 2HB SER 29 -5.645 10.072 -8.973
232 2HB SER 29 3HB SER 29 -6.572 9.208 -7.746
233 HG SER 29 HG SER 29 -8.170 10.062 -8.861
234 H ALA 30 H ALA 30 -7.055 12.915 -5.981
235 HA ALA 30 HA ALA 30 -8.260 11.164 -3.957
236 1HB ALA 30 1HB ALA 30 -7.535 13.838 -2.981
237 2HB ALA 30 2HB ALA 30 -7.445 12.270 -2.178
238 3HB ALA 30 3HB ALA 30 -6.176 12.761 -3.299
239 H HIS 31 H HIS 31 -10.365 11.270 -4.402
240 HA HIS 31 HA HIS 31 -12.455 12.087 -4.781
241 1HB HIS 31 2HB HIS 31 -11.772 13.457 -2.739
242 2HB HIS 31 3HB HIS 31 -11.430 14.770 -3.862
243 HD1 HIS 31 1HD HIS 31 -14.170 13.105 -2.069
244 HD2 HIS 31 2HD HIS 31 -13.761 15.765 -5.234
245 HE1 HIS 31 1HE HIS 31 -16.453 14.103 -2.407
246 HA PRO 32 HA PRO 32 -10.922 13.961 -8.770
247 1HB PRO 32 2HB PRO 32 -11.959 12.029 -10.370
248 2HB PRO 32 3HB PRO 32 -10.351 11.914 -9.643
249 1HG PRO 32 2HG PRO 32 -12.925 10.671 -8.753
250 2HG PRO 32 3HG PRO 32 -11.304 9.955 -8.830
251 1HD PRO 32 2HD PRO 32 -12.389 10.864 -6.520
252 2HD PRO 32 3HD PRO 32 -10.645 10.928 -6.847
253 H ALA 33 H ALA 33 -13.940 12.870 -7.479
254 HA ALA 33 HA ALA 33 -16.104 13.500 -7.806
255 1HB ALA 33 1HB ALA 33 -16.509 15.776 -8.064
256 2HB ALA 33 2HB ALA 33 -14.885 15.725 -7.377
257 3HB ALA 33 3HB ALA 33 -15.102 16.008 -9.104
258 H ARG 34 H ARG 34 -15.161 11.803 -9.757
259 HA ARG 34 HA ARG 34 -15.476 12.666 -12.402
260 1HB ARG 34 2HB ARG 34 -14.539 10.438 -11.485
261 2HB ARG 34 3HB ARG 34 -16.212 9.898 -11.492
262 1HG ARG 34 2HG ARG 34 -16.360 10.289 -13.879
263 2HG ARG 34 3HG ARG 34 -14.711 10.915 -13.895
264 1HD ARG 34 2HD ARG 34 -15.433 8.133 -12.996
265 2HD ARG 34 3HD ARG 34 -14.963 8.532 -14.648
266 HE ARG 34 HE ARG 34 -12.982 9.517 -12.967
267 1HH1 ARG 34 2HH1 ARG 34 -14.339 6.436 -13.860
268 2HH1 ARG 34 1HH1 ARG 34 -12.866 5.565 -13.593
269 1HH2 ARG 34 2HH2 ARG 34 -11.037 8.379 -12.612
270 2HH2 ARG 34 1HH2 ARG 34 -10.989 6.670 -12.883
271 H PHE 35 H PHE 35 -17.201 12.983 -13.691
272 HA PHE 35 HA PHE 35 -19.852 12.178 -12.722
273 1HB PHE 35 2HB PHE 35 -20.808 14.321 -13.163
274 2HB PHE 35 3HB PHE 35 -19.378 14.597 -12.173
275 HD1 PHE 35 1HD PHE 35 -21.134 15.722 -14.941
276 HD2 PHE 35 2HD PHE 35 -17.159 14.957 -13.626
277 HE1 PHE 35 1HE PHE 35 -20.277 17.295 -16.627
278 HE2 PHE 35 2HE PHE 35 -16.296 16.530 -15.310
279 HZ PHE 35 HZ PHE 35 -17.855 17.702 -16.813
280 H SER 36 H SER 36 -21.203 11.429 -14.265
281 HA SER 36 HA SER 36 -21.941 10.678 -16.282
282 1HB SER 36 2HB SER 36 -22.291 12.560 -17.464
283 2HB SER 36 3HB SER 36 -20.832 13.317 -16.825
284 HG SER 36 HG SER 36 -19.820 12.808 -18.593
285 HA PRO 37 HA PRO 37 -18.937 7.927 -17.908
286 1HB PRO 37 2HB PRO 37 -19.835 7.507 -20.434
287 2HB PRO 37 3HB PRO 37 -20.648 6.858 -19.006
288 1HG PRO 37 2HG PRO 37 -21.309 9.291 -20.620
289 2HG PRO 37 3HG PRO 37 -22.398 8.058 -19.958
290 1HD PRO 37 2HD PRO 37 -22.034 10.468 -18.775
291 2HD PRO 37 3HD PRO 37 -22.377 8.992 -17.850
292 H ASP 38 H ASP 38 -19.741 10.543 -20.186
293 HA ASP 38 HA ASP 38 -18.443 11.866 -21.506
294 1HB ASP 38 2HB ASP 38 -17.188 12.144 -19.326
295 2HB ASP 38 3HB ASP 38 -16.083 10.894 -19.893
296 H ASP 39 H ASP 39 -18.679 8.794 -21.816
297 HA ASP 39 HA ASP 39 -16.352 8.044 -23.308
298 1HB ASP 39 2HB ASP 39 -18.125 6.553 -22.066
299 2HB ASP 39 3HB ASP 39 -18.978 6.637 -23.605
300 H LYS 40 H LYS 40 -19.296 9.684 -24.014
301 HA LYS 40 HA LYS 40 -19.034 9.256 -26.888
302 1HB LYS 40 2HB LYS 40 -21.089 10.855 -25.350
303 2HB LYS 40 3HB LYS 40 -21.149 10.472 -27.065
304 1HG LYS 40 2HG LYS 40 -21.159 8.400 -24.884
305 2HG LYS 40 3HG LYS 40 -22.616 9.063 -25.629
306 1HD LYS 40 2HD LYS 40 -20.470 7.924 -27.364
307 2HD LYS 40 3HD LYS 40 -21.565 6.832 -26.513
308 1HE LYS 40 2HE LYS 40 -22.705 7.123 -28.481
309 2HE LYS 40 3HE LYS 40 -23.407 8.414 -27.507
310 1HZ LYS 40 1HZ LYS 40 -22.181 8.676 -29.952
311 2HZ LYS 40 2HZ LYS 40 -21.061 9.296 -28.848
312 3HZ LYS 40 3HZ LYS 40 -22.628 9.929 -28.907
313 H TYR 41 H TYR 41 -18.694 11.791 -24.475
314 HA TYR 41 HA TYR 41 -18.399 13.975 -26.211
315 1HB TYR 41 2HB TYR 41 -17.687 13.400 -23.382
316 2HB TYR 41 3HB TYR 41 -16.894 14.772 -24.148
317 HD1 TYR 41 1HD TYR 41 -17.885 16.805 -23.740
318 HD2 TYR 41 2HD TYR 41 -20.357 13.353 -24.020
319 HE1 TYR 41 1HE TYR 41 -19.868 18.196 -23.309
320 HE2 TYR 41 2HE TYR 41 -22.346 14.734 -23.592
321 HH TYR 41 HH TYR 41 -22.846 16.941 -22.464
322 H SER 42 H SER 42 -16.227 11.428 -25.317
323 HA SER 42 HA SER 42 -13.792 12.700 -26.011
324 1HB SER 42 2HB SER 42 -12.787 10.562 -25.810
325 2HB SER 42 3HB SER 42 -14.105 10.562 -24.639
326 HG SER 42 HG SER 42 -14.674 8.804 -25.642
327 H ARG 43 H ARG 43 -12.702 12.841 -27.909
328 HA ARG 43 HA ARG 43 -14.216 12.380 -30.328
329 1HB ARG 43 2HB ARG 43 -12.499 13.620 -31.449
330 2HB ARG 43 3HB ARG 43 -12.858 14.447 -29.939
331 1HG ARG 43 2HG ARG 43 -10.873 13.260 -28.946
332 2HG ARG 43 3HG ARG 43 -10.470 12.743 -30.584
333 1HD ARG 43 2HD ARG 43 -10.800 15.608 -29.702
334 2HD ARG 43 3HD ARG 43 -9.255 14.779 -29.882
335 HE ARG 43 HE ARG 43 -10.832 15.918 -31.958
336 1HH1 ARG 43 2HH1 ARG 43 -8.665 13.292 -31.230
337 2HH1 ARG 43 1HH1 ARG 43 -8.123 13.112 -32.866
338 1HH2 ARG 43 2HH2 ARG 43 -10.126 15.690 -34.116
339 2HH2 ARG 43 1HH2 ARG 43 -8.955 14.478 -34.507
340 H GLN 44 H GLN 44 -11.636 10.873 -28.580
341 HA GLN 44 HA GLN 44 -10.314 9.459 -30.556
342 1HB GLN 44 2HB GLN 44 -9.548 8.003 -28.858
343 2HB GLN 44 3HB GLN 44 -9.777 9.562 -28.077
344 1HG GLN 44 2HG GLN 44 -10.761 8.232 -26.530
345 2HG GLN 44 3HG GLN 44 -12.159 8.547 -27.557
346 1HE2 GLN 44 1HE2 GLN 44 -13.118 6.624 -26.819
347 2HE2 GLN 44 2HE2 GLN 44 -12.608 5.082 -27.407
348 H ARG 45 H ARG 45 -13.482 8.952 -29.212
349 HA ARG 45 HA ARG 45 -13.895 6.284 -29.973
350 1HB ARG 45 2HB ARG 45 -15.392 7.470 -28.443
351 2HB ARG 45 3HB ARG 45 -15.899 8.536 -29.746
352 1HG ARG 45 2HG ARG 45 -17.627 7.007 -29.613
353 2HG ARG 45 3HG ARG 45 -16.641 6.375 -30.932
354 1HD ARG 45 2HD ARG 45 -16.231 5.456 -28.108
355 2HD ARG 45 3HD ARG 45 -17.483 4.742 -29.124
356 HE ARG 45 HE ARG 45 -15.199 4.627 -30.630
357 1HH1 ARG 45 2HH1 ARG 45 -16.169 3.475 -27.492
358 2HH1 ARG 45 1HH1 ARG 45 -15.127 2.091 -27.533
359 1HH2 ARG 45 2HH2 ARG 45 -13.823 2.809 -30.697
360 2HH2 ARG 45 1HH2 ARG 45 -13.792 1.714 -29.357
361 H VAL 46 H VAL 46 -13.965 9.251 -31.790
362 HA VAL 46 HA VAL 46 -15.351 8.176 -34.058
363 HB VAL 46 HB VAL 46 -13.649 10.663 -33.831
364 1HG1 VAL 46 1HG1 VAL 46 -15.513 9.704 -35.994
365 2HG1 VAL 46 2HG1 VAL 46 -14.932 11.365 -35.867
366 3HG1 VAL 46 3HG1 VAL 46 -13.789 10.047 -36.131
367 1HG2 VAL 46 1HG2 VAL 46 -16.607 10.192 -33.534
368 2HG2 VAL 46 2HG2 VAL 46 -15.491 10.868 -32.347
369 3HG2 VAL 46 3HG2 VAL 46 -15.904 11.788 -33.794
370 H THR 47 H THR 47 -11.968 8.763 -33.212
371 HA THR 47 HA THR 47 -10.842 8.101 -35.701
372 HB THR 47 HB THR 47 -8.871 7.365 -33.999
373 HG1 THR 47 1HG THR 47 -9.635 7.742 -32.044
374 1HG2 THR 47 1HG2 THR 47 -9.770 10.055 -34.968
375 2HG2 THR 47 2HG2 THR 47 -8.412 9.070 -35.511
376 3HG2 THR 47 3HG2 THR 47 -8.332 9.904 -33.960
377 H LEU 48 H LEU 48 -9.191 6.160 -35.770
378 HA LEU 48 HA LEU 48 -9.951 3.737 -34.501
379 1HB LEU 48 2HB LEU 48 -10.732 2.575 -36.563
380 2HB LEU 48 3HB LEU 48 -11.852 3.777 -35.923
381 HG LEU 48 HG LEU 48 -10.632 5.309 -37.721
382 1HD1 LEU 48 1HD1 LEU 48 -10.701 3.072 -39.531
383 2HD1 LEU 48 2HD1 LEU 48 -9.500 2.819 -38.266
384 3HD1 LEU 48 3HD1 LEU 48 -9.431 4.267 -39.269
385 1HD2 LEU 48 1HD2 LEU 48 -12.727 3.317 -38.559
386 2HD2 LEU 48 2HD2 LEU 48 -12.491 4.961 -39.154
387 3HD2 LEU 48 3HD2 LEU 48 -13.062 4.692 -37.506
388 H LYS 49 H LYS 49 -8.285 2.354 -34.564
389 HA LYS 49 HA LYS 49 -5.926 3.093 -36.046
390 1HB LYS 49 2HB LYS 49 -5.578 2.317 -33.816
391 2HB LYS 49 3HB LYS 49 -6.530 0.867 -34.103
392 1HG LYS 49 2HG LYS 49 -4.184 0.320 -34.050
393 2HG LYS 49 3HG LYS 49 -4.820 0.075 -35.679
394 1HD LYS 49 2HD LYS 49 -2.696 1.160 -35.873
395 2HD LYS 49 3HD LYS 49 -3.945 2.340 -36.274
396 1HE LYS 49 2HE LYS 49 -3.768 3.337 -34.088
397 2HE LYS 49 3HE LYS 49 -2.643 2.085 -33.567
398 1HZ LYS 49 1HZ LYS 49 -1.055 3.477 -34.212
399 2HZ LYS 49 2HZ LYS 49 -2.135 4.484 -35.036
400 3HZ LYS 49 3HZ LYS 49 -1.493 3.123 -35.808
401 H LYS 50 H LYS 50 -5.354 2.356 -37.977
402 HA LYS 50 HA LYS 50 -6.472 -0.205 -38.902
403 1HB LYS 50 2HB LYS 50 -6.442 2.456 -40.268
404 2HB LYS 50 3HB LYS 50 -6.307 0.998 -41.243
405 1HG LYS 50 2HG LYS 50 -8.500 1.233 -39.235
406 2HG LYS 50 3HG LYS 50 -8.635 2.056 -40.791
407 1HD LYS 50 2HD LYS 50 -8.577 0.042 -41.988
408 2HD LYS 50 3HD LYS 50 -7.929 -0.857 -40.614
409 1HE LYS 50 2HE LYS 50 -10.638 0.429 -40.508
410 2HE LYS 50 3HE LYS 50 -10.409 -1.169 -41.217
411 1HZ LYS 50 1HZ LYS 50 -10.459 -2.023 -39.192
412 2HZ LYS 50 2HZ LYS 50 -10.644 -0.487 -38.509
413 3HZ LYS 50 3HZ LYS 50 -9.096 -1.122 -38.752
414 H ARG 51 H ARG 51 -4.831 -1.578 -39.074
415 HA ARG 51 HA ARG 51 -2.377 -0.659 -40.407
416 1HB ARG 51 2HB ARG 51 -2.161 -0.879 -37.870
417 2HB ARG 51 3HB ARG 51 -2.345 -2.612 -38.112
418 1HG ARG 51 2HG ARG 51 -0.035 -2.231 -37.984
419 2HG ARG 51 3HG ARG 51 -0.379 -2.458 -39.700
420 1HD ARG 51 2HD ARG 51 0.985 -0.602 -39.744
421 2HD ARG 51 3HD ARG 51 -0.616 0.136 -39.709
422 HE ARG 51 HE ARG 51 0.105 -0.075 -37.083
423 1HH1 ARG 51 2HH1 ARG 51 1.502 1.385 -39.919
424 2HH1 ARG 51 1HH1 ARG 51 2.292 2.650 -39.038
425 1HH2 ARG 51 2HH2 ARG 51 1.142 1.587 -35.912
426 2HH2 ARG 51 1HH2 ARG 51 2.087 2.763 -36.759
427 H PHE 52 H PHE 52 -1.284 -2.217 -41.640
428 HA PHE 52 HA PHE 52 -2.980 -4.454 -42.464
429 1HB PHE 52 2HB PHE 52 -0.481 -3.404 -43.803
430 2HB PHE 52 3HB PHE 52 -1.658 -4.522 -44.485
431 HD1 PHE 52 1HD PHE 52 -3.939 -3.711 -45.047
432 HD2 PHE 52 2HD PHE 52 -0.808 -1.069 -43.892
433 HE1 PHE 52 1HE PHE 52 -5.192 -1.817 -45.996
434 HE2 PHE 52 2HE PHE 52 -2.056 0.828 -44.837
435 HZ PHE 52 HZ PHE 52 -4.251 0.457 -45.890
436 H GLY 53 H GLY 53 0.474 -3.843 -41.802
437 1HA GLY 53 2HA GLY 53 1.882 -5.171 -40.475
438 2HA GLY 53 3HA GLY 53 0.645 -6.417 -40.448
439 H LEU 54 H LEU 54 0.180 -6.894 -43.083
440 HA LEU 54 HA LEU 54 2.773 -7.959 -43.967
441 1HB LEU 54 2HB LEU 54 0.904 -9.546 -43.429
442 2HB LEU 54 3HB LEU 54 0.028 -8.873 -44.802
443 HG LEU 54 HG LEU 54 1.717 -9.702 -46.327
444 1HD1 LEU 54 1HD1 LEU 54 3.721 -9.510 -45.092
445 2HD1 LEU 54 2HD1 LEU 54 3.498 -11.231 -45.403
446 3HD1 LEU 54 3HD1 LEU 54 3.122 -10.567 -43.814
447 1HD2 LEU 54 1HD2 LEU 54 1.527 -12.211 -45.670
448 2HD2 LEU 54 2HD2 LEU 54 0.071 -11.301 -46.072
449 3HD2 LEU 54 3HD2 LEU 54 0.482 -11.607 -44.385
450 H VAL 55 H VAL 55 3.621 -7.366 -45.869
451 HA VAL 55 HA VAL 55 1.936 -5.780 -47.697
452 HB VAL 55 HB VAL 55 3.537 -4.317 -46.598
453 1HG1 VAL 55 1HG1 VAL 55 5.648 -4.872 -46.140
454 2HG1 VAL 55 2HG1 VAL 55 5.221 -6.509 -46.643
455 3HG1 VAL 55 3HG1 VAL 55 5.952 -5.394 -47.797
456 1HG2 VAL 55 1HG2 VAL 55 4.193 -4.914 -49.480
457 2HG2 VAL 55 2HG2 VAL 55 3.000 -3.766 -48.872
458 3HG2 VAL 55 3HG2 VAL 55 4.720 -3.466 -48.620
459 HA PRO 56 HA PRO 56 2.994 -8.865 -50.685
460 1HB PRO 56 2HB PRO 56 2.117 -7.535 -52.884
461 2HB PRO 56 3HB PRO 56 1.024 -8.301 -51.724
462 1HG PRO 56 2HG PRO 56 1.821 -5.425 -51.962
463 2HG PRO 56 3HG PRO 56 0.218 -6.120 -51.663
464 1HD PRO 56 2HD PRO 56 1.751 -5.091 -49.683
465 2HD PRO 56 3HD PRO 56 0.640 -6.451 -49.421
466 H GLY 57 H GLY 57 4.926 -9.292 -51.542
467 1HA GLY 57 2HA GLY 57 6.692 -7.066 -52.239
468 2HA GLY 57 3HA GLY 57 7.176 -8.739 -52.004
469 H GLN 58 H GLN 58 8.357 -8.704 -53.954
470 HA GLN 58 HA GLN 58 6.701 -8.621 -56.388
471 1HB GLN 58 2HB GLN 58 8.846 -8.215 -57.597
472 2HB GLN 58 3HB GLN 58 8.410 -6.934 -56.474
473 1HG GLN 58 2HG GLN 58 9.968 -7.903 -54.822
474 2HG GLN 58 3HG GLN 58 10.453 -9.097 -56.026
475 1HE2 GLN 58 1HE2 GLN 58 10.766 -5.866 -54.926
476 2HE2 GLN 58 2HE2 GLN 58 11.947 -5.351 -56.076
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